#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6g n SER 5 N 0.00 0.03 0.29 0.00 3.41 -1.26 -4.79 113.62 111.30 1u6g n SER 5 Ca 0.00 0.04 0.19 0.00 -0.26 0.00 0.00 58.87 58.84 1u6g n SER 5 Cb 0.00 0.01 0.87 0.00 -0.26 0.00 0.00 64.21 64.83 1u6g n SER 5 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1u6g h TYR 6 N 0.00 0.00 0.00 7.33 0.99 -2.03 -3.25 116.97 120.01 1u6g h TYR 6 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1u6g h TYR 6 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.73 1u6g h TYR 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 178.16 179.74 1u6g n HIS 7 N -3.05 0.00 -0.68 4.88 -0.00 -1.26 -0.85 115.22 114.27 1u6g n HIS 7 Ca -0.01 0.00 0.52 0.00 0.46 0.00 0.00 57.72 58.69 1u6g n HIS 7 Cb 0.22 -0.06 0.80 0.00 -0.12 0.00 0.00 29.99 30.83 1u6g n HIS 7 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1u6g n ILE 8 N -0.94 -0.04 0.01 3.57 -0.00 -1.23 0.96 119.36 121.69 1u6g n ILE 8 Ca 0.00 1.54 -0.12 0.00 -0.00 0.00 0.00 62.75 64.17 1u6g n ILE 8 Cb 0.00 -2.56 -0.09 0.00 -0.00 0.00 0.00 39.64 36.99 1u6g n ILE 8 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 1u6g h SER 9 N 0.00 -0.08 -0.68 4.38 0.02 -1.54 -2.87 113.55 112.77 1u6g h SER 9 Ca 0.94 -0.50 -0.04 0.00 -0.84 0.00 0.00 61.79 61.34 1u6g h SER 9 Cb 3.65 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 66.18 1u6g h SER 9 CO -0.08 0.51 0.28 -1.13 -1.14 0.00 0.00 176.83 175.26 1u6g h ASN 10 N -0.72 0.96 0.66 3.07 -0.73 0.26 -3.18 115.58 115.90 1u6g h ASN 10 Ca -0.01 -0.14 -0.03 0.00 1.87 0.00 0.00 56.30 57.99 1u6g h ASN 10 Cb 0.58 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 38.92 1u6g h ASN 10 CO 0.02 0.86 -0.42 -0.07 -0.37 0.00 0.00 177.43 177.45 1u6g h LEU 11 N 1.02 -1.07 -1.29 0.34 3.38 -0.88 -2.05 115.31 114.77 1u6g h LEU 11 Ca 0.24 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.42 1u6g h LEU 11 Cb 0.20 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1u6g h LEU 11 CO -0.02 -0.64 0.83 -0.07 0.09 0.00 0.00 178.44 178.63 1u6g h LEU 12 N -1.02 0.00 0.00 1.67 3.38 -1.49 0.49 115.31 118.35 1u6g h LEU 12 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1u6g h LEU 12 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1u6g h LEU 12 CO 0.08 0.00 -0.08 -0.33 0.09 0.00 0.00 178.44 178.20 1u6g h GLU 13 N 0.00 0.00 0.00 1.13 5.08 -1.46 -3.21 114.58 116.12 1u6g h GLU 13 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1u6g h GLU 13 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1u6g h GLU 13 CO -0.00 0.74 0.00 1.63 -1.00 0.00 0.00 179.01 180.38 1u6g n LYS 14 N -4.64 0.11 0.00 2.33 4.76 0.14 -0.73 118.16 120.13 1u6g n LYS 14 Ca -0.09 0.61 0.15 0.00 -2.87 0.00 0.00 58.31 56.11 1u6g n LYS 14 Cb 0.37 -1.88 0.73 0.00 -1.84 0.00 0.00 35.03 32.42 1u6g n LYS 14 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 1u6g n MET 15 N -2.12 0.58 -2.47 1.97 1.56 0.69 -2.47 117.12 114.86 1u6g n MET 15 Ca -0.01 -0.08 -0.07 0.00 -0.27 0.00 0.00 57.70 57.27 1u6g n MET 15 Cb 0.03 -1.50 0.04 0.00 2.15 0.00 0.00 33.22 33.94 1u6g n MET 15 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1u6g n THR 16 N -1.14 1.60 1.51 1.12 -2.24 0.09 -4.83 114.28 110.38 1u6g n THR 16 Ca 0.15 -3.21 0.01 0.00 -2.27 0.00 0.00 64.05 58.74 1u6g n THR 16 Cb 0.24 0.53 0.04 0.00 -2.10 0.00 0.00 70.33 69.04 1u6g n THR 16 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1u6g n SER 17 N -0.59 0.69 0.00 3.42 2.88 -1.09 -4.91 113.62 114.02 1u6g n SER 17 Ca 0.18 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.70 1u6g n SER 17 Cb 0.87 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 1u6g n SER 17 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1u6g n SER 18 N -0.19 0.00 -4.52 -3.46 2.88 -1.26 -4.78 113.62 102.29 1u6g n SER 18 Ca 0.03 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.14 1u6g n SER 18 Cb 0.14 -0.03 -0.08 0.00 -0.75 0.00 0.00 64.21 63.49 1u6g n SER 18 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1u6g s ASP 19 N -0.06 6.26 0.28 -3.46 -1.08 -1.26 -4.96 116.67 112.39 1u6g s ASP 19 Ca 0.00 -0.34 -0.07 0.00 -0.52 0.00 0.00 52.55 51.62 1u6g s ASP 19 Cb 0.00 -2.26 0.50 0.00 -1.46 0.00 0.00 42.92 39.70 1u6g s ASP 19 CO 0.00 -0.57 1.56 0.07 0.52 0.00 0.00 175.17 176.76 1u6g h LYS 20 N 8.65 0.00 -0.50 4.34 2.10 -1.99 -1.31 116.57 127.86 1u6g h LYS 20 Ca -0.27 -0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.48 1u6g h LYS 20 Cb 1.12 -0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.34 1u6g h LYS 20 CO 0.80 0.00 -0.29 -0.44 -2.00 0.00 0.00 179.45 177.52 1u6g h ASP 21 N 0.00 -1.00 0.30 7.07 3.45 -1.96 0.45 116.42 124.73 1u6g h ASP 21 Ca 0.49 0.20 -0.01 0.00 0.43 0.00 0.00 57.03 58.14 1u6g h ASP 21 Cb 0.80 0.50 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 1u6g h ASP 21 CO -1.00 -0.29 -0.14 -0.26 -1.57 0.00 0.00 179.24 175.97 1u6g h PHE 22 N -0.18 -0.37 -0.96 4.55 -1.00 -1.54 0.35 116.94 117.79 1u6g h PHE 22 Ca 0.21 -0.01 0.26 0.00 2.81 0.00 0.00 57.97 61.25 1u6g h PHE 22 Cb 0.52 0.12 -0.05 0.00 3.61 0.00 0.00 35.95 40.16 1u6g h PHE 22 CO -0.56 -0.10 0.67 0.00 -1.61 0.00 0.00 178.31 176.71 1u6g h ARG 23 N -0.61 0.11 0.10 1.51 3.08 -1.19 1.09 114.38 118.47 1u6g h ARG 23 Ca -0.04 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1u6g h ARG 23 Cb 0.44 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1u6g h ARG 23 CO 0.07 0.07 -0.05 0.35 -1.07 0.00 0.00 179.97 179.34 1u6g h PHE 24 N 0.12 -0.13 -0.19 3.04 3.57 -0.27 -2.42 116.94 120.65 1u6g h PHE 24 Ca 0.48 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.93 1u6g h PHE 24 Cb 1.68 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 1u6g h PHE 24 CO -0.00 0.36 -0.06 0.52 -2.23 0.00 0.00 178.31 176.90 1u6g h MET 25 N -0.90 0.29 -0.35 1.11 2.86 0.13 0.54 114.93 118.60 1u6g h MET 25 Ca -0.01 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1u6g h MET 25 Cb 0.55 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1u6g h MET 25 CO 0.02 0.37 -0.04 0.00 1.06 0.00 0.00 176.91 178.32 1u6g h ALA 26 N 1.66 0.47 0.00 6.32 0.00 0.11 0.90 119.26 128.73 1u6g h ALA 26 Ca 0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1u6g h ALA 26 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1u6g h ALA 26 CO 0.01 0.28 -0.50 1.15 0.00 0.00 0.00 179.25 180.20 1u6g h THR 27 N 0.44 1.21 0.52 0.00 2.02 -0.99 -0.74 112.91 115.37 1u6g h THR 27 Ca 0.09 -1.79 -0.03 0.00 0.77 0.00 0.00 66.41 65.46 1u6g h THR 27 Cb 0.52 2.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1u6g h THR 27 CO 0.03 0.49 -0.25 -1.13 0.37 0.00 0.00 175.52 175.02 1u6g h ASN 28 N 0.00 -0.59 -0.04 4.18 -1.24 -0.58 -2.31 115.58 114.99 1u6g h ASN 28 Ca -0.00 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.04 1u6g h ASN 28 Cb 0.97 0.15 -0.00 0.00 0.73 0.00 0.00 38.32 40.17 1u6g h ASN 28 CO 0.06 -0.21 0.23 0.44 -1.29 0.00 0.00 177.43 176.67 1u6g h ASP 29 N -1.14 0.00 0.40 1.15 5.19 -0.81 0.45 116.42 121.67 1u6g h ASP 29 Ca -0.07 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.05 1u6g h ASP 29 Cb 0.54 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.07 1u6g h ASP 29 CO 0.12 0.00 -1.25 0.25 -3.12 0.00 0.00 179.24 175.24 1u6g h LEU 30 N 0.00 0.63 -0.38 1.55 5.85 -0.98 -3.21 115.31 118.77 1u6g h LEU 30 Ca 0.02 -0.63 -0.16 0.00 0.84 0.00 0.00 57.88 57.96 1u6g h LEU 30 Cb 0.49 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1u6g h LEU 30 CO -0.00 1.47 -0.76 -0.03 -0.34 0.00 0.00 178.44 178.78 1u6g h MET 31 N 0.16 0.00 -0.93 1.25 4.05 -0.38 -2.21 114.93 116.87 1u6g h MET 31 Ca -0.16 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.26 1u6g h MET 31 Cb 1.94 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.70 1u6g h MET 31 CO 0.22 0.76 0.60 1.15 0.23 0.00 0.00 176.91 179.87 1u6g h THR 32 N 0.00 1.24 0.26 -0.77 2.02 -1.33 -3.02 112.91 111.31 1u6g h THR 32 Ca -0.01 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1u6g h THR 32 Cb 1.40 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1u6g h THR 32 CO 0.10 0.24 -0.12 -0.08 0.37 0.00 0.00 175.52 176.02 1u6g h GLU 33 N 1.27 -0.34 -0.63 6.66 4.57 -1.51 -3.01 114.58 121.59 1u6g h GLU 33 Ca 0.34 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1u6g h GLU 33 Cb -0.12 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1u6g h GLU 33 CO -0.07 -0.04 0.00 1.28 -1.18 0.00 0.00 179.01 178.99 1u6g n LEU 34 N -5.12 0.00 -3.44 1.64 4.77 -0.85 -4.08 117.00 109.92 1u6g n LEU 34 Ca -0.09 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.69 1u6g n LEU 34 Cb 0.24 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.22 1u6g n LEU 34 CO 0.32 0.00 -0.21 -1.10 -1.33 0.00 0.00 177.39 175.07 1u6g s GLN 35 N -0.31 0.28 0.00 3.23 -0.21 -1.14 -4.77 119.66 116.74 1u6g s GLN 35 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 55.36 55.21 1u6g s GLN 35 Cb 0.00 -0.83 0.00 0.00 1.00 0.00 0.00 33.01 33.18 1u6g s GLN 35 CO 0.00 -0.97 0.00 0.36 -2.12 0.00 0.00 175.29 172.56 1u6g n LYS 36 N 5.30 0.00 -0.24 2.91 2.85 -1.26 -4.97 118.16 122.75 1u6g n LYS 36 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1u6g n LYS 36 Cb 0.46 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 1u6g n LYS 36 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1u6g n ASP 37 N 0.00 0.00 -4.19 -5.58 3.85 -1.26 -5.03 116.55 104.34 1u6g n ASP 37 Ca 0.00 -0.83 -0.30 0.00 -0.71 0.00 0.00 54.79 52.95 1u6g n ASP 37 Cb 0.00 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 39.70 1u6g n ASP 37 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1u6g n SER 38 N 0.00 0.08 -5.00 -1.12 3.41 -1.26 -4.94 113.62 104.79 1u6g n SER 38 Ca 0.00 -1.16 -0.18 0.00 -0.26 0.00 0.00 58.87 57.27 1u6g n SER 38 Cb 0.42 -2.21 0.02 0.00 -0.26 0.00 0.00 64.21 62.17 1u6g n SER 38 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1u6g s ILE 39 N -4.10 2.99 -0.37 -1.33 -4.36 -1.26 -4.48 121.20 108.29 1u6g s ILE 39 Ca 0.09 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.59 1u6g s ILE 39 Cb -0.05 -3.03 0.00 0.00 1.25 0.00 0.00 42.46 40.62 1u6g s ILE 39 CO 0.96 -0.02 0.00 0.29 0.24 0.00 0.00 174.94 176.41 1u6g n LYS 40 N -1.98 -1.71 -1.64 0.37 4.76 -1.26 -4.90 118.16 111.79 1u6g n LYS 40 Ca 0.07 0.58 -0.40 0.00 -2.87 0.00 0.00 58.31 55.69 1u6g n LYS 40 Cb 0.59 -4.92 -0.03 0.00 -1.84 0.00 0.00 35.03 28.83 1u6g n LYS 40 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1u6g s LEU 41 N -0.78 3.42 0.35 -0.35 1.43 -1.26 -4.93 118.68 116.56 1u6g s LEU 41 Ca 0.00 1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 54.44 1u6g s LEU 41 Cb 0.00 -3.06 -0.07 0.00 0.03 0.00 0.00 46.19 43.09 1u6g s LEU 41 CO 0.00 -2.34 0.72 -1.81 0.23 0.00 0.00 176.35 173.15 1u6g s ASP 42 N 9.72 6.60 -0.11 2.29 1.01 -1.26 -4.88 116.67 130.04 1u6g s ASP 42 Ca 0.96 1.11 0.04 0.00 0.71 0.00 0.00 52.55 55.38 1u6g s ASP 42 Cb -0.25 -2.31 0.30 0.00 1.01 0.00 0.00 42.92 41.67 1u6g s ASP 42 CO 0.31 -0.29 1.07 -0.67 0.21 0.00 0.00 175.17 175.79 1u6g n ASP 43 N -0.88 2.94 0.02 0.27 4.64 -1.26 -2.41 116.55 119.88 1u6g n ASP 43 Ca 0.02 -2.42 0.00 0.00 -1.38 0.00 0.00 54.79 51.01 1u6g n ASP 43 Cb 0.54 -0.59 0.00 0.00 -1.04 0.00 0.00 41.12 40.03 1u6g n ASP 43 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1u6g n ASP 44 N 0.15 0.18 0.18 1.67 2.03 -1.26 -4.52 116.55 114.98 1u6g n ASP 44 Ca 0.14 0.08 0.18 0.00 0.52 0.00 0.00 54.79 55.71 1u6g n ASP 44 Cb 0.70 -0.02 0.80 0.00 -0.72 0.00 0.00 41.12 41.89 1u6g n ASP 44 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1u6g h SER 45 N 0.00 0.00 0.17 1.67 0.02 -1.89 -0.72 113.55 112.81 1u6g h SER 45 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1u6g h SER 45 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1u6g h SER 45 CO 0.00 0.00 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.28 1u6g h GLU 46 N 0.00 -0.22 -0.45 3.45 5.08 -1.75 -1.69 114.58 119.00 1u6g h GLU 46 Ca 0.12 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1u6g h GLU 46 Cb 0.75 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 1u6g h GLU 46 CO -0.00 -0.15 -0.25 0.54 -1.00 0.00 0.00 179.01 178.15 1u6g n ARG 47 N -3.29 -0.19 0.43 2.33 1.74 -0.34 0.06 116.66 117.41 1u6g n ARG 47 Ca -0.03 0.68 -0.18 0.00 -0.77 0.00 0.00 57.85 57.55 1u6g n ARG 47 Cb 0.09 -1.00 -0.09 0.00 -1.02 0.00 0.00 32.46 30.44 1u6g n ARG 47 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1u6g h LYS 48 N 0.00 -1.10 -0.39 5.56 1.57 -1.49 -1.49 116.57 119.24 1u6g h LYS 48 Ca 0.08 0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1u6g h LYS 48 Cb 0.20 0.25 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 1u6g h LYS 48 CO -0.43 -0.74 -0.39 0.28 -0.57 0.00 0.00 179.45 177.60 1u6g h VAL 49 N -1.15 0.00 -0.02 0.50 2.07 0.62 0.20 116.25 118.46 1u6g h VAL 49 Ca -0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1u6g h VAL 49 Cb 0.90 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 1u6g h VAL 49 CO 0.14 0.00 -0.44 0.58 0.02 0.00 0.00 177.57 177.87 1u6g h VAL 50 N -0.21 0.12 -1.01 2.57 2.07 -0.95 0.15 116.25 119.00 1u6g h VAL 50 Ca 0.07 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.82 1u6g h VAL 50 Cb 0.38 0.12 -0.11 0.00 -1.52 0.00 0.00 31.29 30.16 1u6g h VAL 50 CO -0.47 0.00 0.61 0.50 0.02 0.00 0.00 177.57 178.23 1u6g h LYS 51 N -0.58 0.58 0.28 1.57 3.64 -0.78 0.19 116.57 121.47 1u6g h LYS 51 Ca 0.05 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1u6g h LYS 51 Cb 0.66 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1u6g h LYS 51 CO -0.34 0.38 -0.14 1.98 -2.27 0.00 0.00 179.45 179.07 1u6g h MET 52 N 0.59 -0.36 -0.20 1.90 4.05 0.11 -0.08 114.93 120.94 1u6g h MET 52 Ca 0.62 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 60.12 1u6g h MET 52 Cb 1.19 0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 32.01 1u6g h MET 52 CO -0.42 -0.07 -0.27 0.82 0.23 0.00 0.00 176.91 177.21 1u6g h ILE 53 N -0.66 0.36 -0.56 1.77 1.08 0.61 0.89 117.51 121.00 1u6g h ILE 53 Ca -0.04 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.54 1u6g h ILE 53 Cb 0.46 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 1u6g h ILE 53 CO 0.06 0.00 0.38 -0.07 -0.69 0.00 0.00 178.15 177.84 1u6g h LEU 54 N -0.30 0.27 0.43 1.44 3.38 -0.64 0.53 115.31 120.42 1u6g h LEU 54 Ca 0.12 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1u6g h LEU 54 Cb 0.49 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1u6g h LEU 54 CO -0.37 0.16 -0.21 0.50 0.09 0.00 0.00 178.44 178.62 1u6g h LYS 55 N 0.30 -0.55 -0.14 1.13 1.63 0.18 -2.83 116.57 116.29 1u6g h LYS 55 Ca 0.26 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.14 1u6g h LYS 55 Cb 0.63 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 1u6g h LYS 55 CO -0.06 -0.25 0.37 -0.07 -3.45 0.00 0.00 179.45 176.00 1u6g h LEU 56 N -0.97 0.00 -0.48 5.20 3.38 0.15 0.37 115.31 122.97 1u6g h LEU 56 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1u6g h LEU 56 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1u6g h LEU 56 CO 0.10 0.00 0.05 -0.11 0.09 0.00 0.00 178.44 178.57 1u6g n LEU 57 N -3.19 0.19 -1.06 1.67 7.94 0.08 -0.48 117.00 122.15 1u6g n LEU 57 Ca 0.01 0.55 -0.00 0.00 -1.11 0.00 0.00 56.01 55.46 1u6g n LEU 57 Cb 0.47 -0.57 0.14 0.00 0.53 0.00 0.00 43.42 43.99 1u6g n LEU 57 CO 0.18 -0.61 0.27 -0.62 -1.11 0.00 0.00 177.39 175.50 1u6g n GLU 58 N -1.73 1.78 -2.35 1.96 1.02 0.13 -4.94 120.64 116.51 1u6g n GLU 58 Ca -0.00 -3.31 -0.39 0.00 -0.02 0.00 0.00 57.16 53.44 1u6g n GLU 58 Cb 0.06 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 1u6g n GLU 58 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u6g s ASP 59 N -3.17 6.71 0.00 1.62 -1.08 0.37 -4.89 116.67 116.23 1u6g s ASP 59 Ca 0.40 2.32 0.03 0.00 -0.52 0.00 0.00 52.55 54.78 1u6g s ASP 59 Cb 0.38 -2.62 0.17 0.00 -1.46 0.00 0.00 42.92 39.39 1u6g s ASP 59 CO -0.06 -0.54 0.91 0.29 0.52 0.00 0.00 175.17 176.29 1u6g n LYS 60 N 0.31 0.05 -4.02 4.34 4.76 -1.26 -4.46 118.16 117.88 1u6g n LYS 60 Ca 0.03 0.24 -0.30 0.00 -2.87 0.00 0.00 58.31 55.41 1u6g n LYS 60 Cb 0.46 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.99 1u6g n LYS 60 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1u6g s ASN 61 N -2.54 2.95 0.23 4.39 3.84 -1.26 -5.04 114.94 117.52 1u6g s ASN 61 Ca 0.03 -0.63 -0.09 0.00 0.21 0.00 0.00 52.86 52.38 1u6g s ASN 61 Cb 0.02 -1.21 0.38 0.00 -0.55 0.00 0.00 41.25 39.89 1u6g s ASN 61 CO 0.05 -0.08 1.64 1.23 -2.79 0.00 0.00 177.10 177.14 1u6g h GLY 62 N 8.02 0.74 -0.28 1.21 0.00 -1.99 -1.11 103.07 109.66 1u6g h GLY 62 Ca -0.35 0.12 0.16 0.00 0.00 0.00 0.00 47.33 47.26 1u6g h GLY 62 CO 0.52 -0.26 -0.01 0.83 0.00 0.00 0.00 176.54 177.61 1u6g h GLU 63 N 0.09 0.10 0.37 4.80 4.39 -1.96 -0.19 114.58 122.18 1u6g h GLU 63 Ca 0.38 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 1u6g h GLU 63 Cb 0.64 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1u6g h GLU 63 CO -0.64 0.06 -0.18 0.28 -1.16 0.00 0.00 179.01 177.38 1u6g h VAL 64 N 0.10 0.54 -0.94 3.13 2.07 -1.61 -3.02 116.25 116.51 1u6g h VAL 64 Ca 0.38 -0.59 0.16 0.00 0.82 0.00 0.00 66.70 67.47 1u6g h VAL 64 Cb 0.65 0.79 -0.16 0.00 -1.52 0.00 0.00 31.29 31.06 1u6g h VAL 64 CO -0.63 0.10 -0.33 0.00 0.02 0.00 0.00 177.57 176.72 1u6g n GLN 65 N -5.16 -0.19 -0.03 1.57 6.02 -0.74 -0.10 117.38 118.75 1u6g n GLN 65 Ca -0.10 1.46 -0.11 0.00 -0.01 0.00 0.00 57.00 58.24 1u6g n GLN 65 Cb 0.28 -2.17 -0.05 0.00 1.02 0.00 0.00 30.24 29.32 1u6g n GLN 65 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1u6g h ASN 66 N 0.00 -1.23 -0.78 1.08 -0.00 -1.03 -1.01 115.58 112.61 1u6g h ASN 66 Ca 0.36 0.17 0.14 0.00 -0.00 0.00 0.00 56.30 56.98 1u6g h ASN 66 Cb 0.60 0.52 -0.09 0.00 -0.00 0.00 0.00 38.32 39.34 1u6g h ASN 66 CO -0.95 -0.39 0.35 -0.07 -0.00 0.00 0.00 177.43 176.37 1u6g h LEU 67 N -0.43 0.37 -0.21 0.34 3.38 -0.38 0.50 115.31 118.88 1u6g h LEU 67 Ca 0.10 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1u6g h LEU 67 Cb 0.60 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1u6g h LEU 67 CO -0.42 0.15 -0.03 0.00 0.09 0.00 0.00 178.44 178.22 1u6g h ALA 68 N 1.55 0.16 -0.61 1.53 0.00 0.10 0.24 119.26 122.23 1u6g h ALA 68 Ca 0.43 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.34 1u6g h ALA 68 Cb 0.63 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1u6g h ALA 68 CO -0.39 -0.46 0.09 0.28 0.00 0.00 0.00 179.25 178.78 1u6g h VAL 69 N 0.03 1.25 0.00 0.00 2.07 -0.36 0.22 116.25 119.46 1u6g h VAL 69 Ca 0.10 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1u6g h VAL 69 Cb 0.15 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1u6g h VAL 69 CO -0.20 0.37 0.00 0.29 0.02 0.00 0.00 177.57 178.05 1u6g n LYS 70 N -4.22 0.00 0.04 1.57 4.76 0.05 -2.36 118.16 118.01 1u6g n LYS 70 Ca 0.04 0.28 -0.13 0.00 -2.87 0.00 0.00 58.31 55.63 1u6g n LYS 70 Cb 0.28 -1.51 -0.14 0.00 -1.84 0.00 0.00 35.03 31.83 1u6g n LYS 70 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u6g h LEU 72 N 0.04 -1.12 0.00 0.00 4.07 -1.17 -2.14 115.31 114.99 1u6g h LEU 72 Ca -0.21 0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1u6g h LEU 72 Cb 1.97 0.52 0.00 0.00 1.08 0.00 0.00 40.66 44.23 1u6g h LEU 72 CO 0.13 -0.32 0.00 0.61 -1.08 0.00 0.00 178.44 177.78 1u6g n GLY 73 N -1.42 -3.03 0.34 0.83 0.00 -1.26 -0.23 105.19 100.42 1u6g n GLY 73 Ca 0.01 0.62 0.18 0.00 0.00 0.00 0.00 46.02 46.83 1u6g n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u6g h PRO 74 N 0.00 0.00 0.00 1.61 0.13 -1.78 -3.11 132.00 128.86 1u6g h PRO 74 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1u6g h PRO 74 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1u6g h PRO 74 CO 0.00 0.00 0.00 -0.11 -0.23 0.00 0.00 178.00 177.66 1u6g n LEU 75 N -3.30 0.29 -0.11 1.56 0.00 0.67 -3.68 117.00 112.44 1u6g n LEU 75 Ca -0.01 0.69 -0.01 0.00 0.00 0.00 0.00 56.01 56.68 1u6g n LEU 75 Cb 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 43.42 43.38 1u6g n LEU 75 CO 0.21 -0.33 0.15 0.52 0.00 0.00 0.00 177.39 177.94 1u6g n VAL 76 N -1.49 -0.15 0.83 1.96 0.31 -0.69 0.29 118.33 119.38 1u6g n VAL 76 Ca 0.00 0.63 0.00 0.00 -0.01 0.00 0.00 64.34 64.96 1u6g n VAL 76 Cb 0.00 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1u6g n VAL 76 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1u6g n SER 77 N -4.38 0.34 -2.12 4.52 3.41 -1.24 -3.49 113.62 110.66 1u6g n SER 77 Ca 0.02 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1u6g n SER 77 Cb 0.10 -0.17 0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1u6g n SER 77 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1u6g n LYS 78 N -0.09 0.86 -3.54 4.33 4.76 0.85 -4.99 118.16 120.34 1u6g n LYS 78 Ca 0.00 -2.38 -0.17 0.00 -2.87 0.00 0.00 58.31 52.89 1u6g n LYS 78 Cb 0.09 -0.52 -0.06 0.00 -1.84 0.00 0.00 35.03 32.69 1u6g n LYS 78 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1u6g s VAL 79 N -1.49 0.00 0.43 -0.18 0.11 -1.23 -5.00 120.40 113.04 1u6g s VAL 79 Ca 0.24 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.08 1u6g s VAL 79 Cb 0.32 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 34.04 1u6g s VAL 79 CO -0.09 0.00 0.40 0.29 -3.33 0.00 0.00 175.10 172.36 1u6g n LYS 80 N 1.19 0.39 0.31 1.54 4.01 -1.26 -4.64 118.16 119.70 1u6g n LYS 80 Ca -0.18 0.14 0.12 0.00 -0.51 0.00 0.00 58.31 57.89 1u6g n LYS 80 Cb 0.57 -1.37 0.65 0.00 -0.51 0.00 0.00 35.03 34.37 1u6g n LYS 80 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1u6g h GLU 81 N 0.58 0.00 0.16 1.97 3.07 -1.99 -1.80 114.58 116.57 1u6g h GLU 81 Ca -0.40 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.12 1u6g h GLU 81 Cb 1.41 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.32 1u6g h GLU 81 CO 0.49 0.00 -1.73 -0.92 -1.40 0.00 0.00 179.01 175.45 1u6g h TYR 82 N 0.00 0.60 -0.30 4.33 3.20 -1.98 -2.60 116.97 120.22 1u6g h TYR 82 Ca 0.00 -0.44 -0.05 0.00 3.14 0.00 0.00 58.73 61.39 1u6g h TYR 82 Cb 0.82 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1u6g h TYR 82 CO 0.00 1.59 -0.01 1.96 -1.64 0.00 0.00 178.16 180.06 1u6g h GLN 83 N 0.09 0.45 -0.05 1.82 1.08 -1.66 0.58 115.11 117.43 1u6g h GLN 83 Ca -0.33 -0.09 -0.15 0.00 -1.45 0.00 0.00 58.65 56.63 1u6g h GLN 83 Cb 2.07 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 29.42 1u6g h GLN 83 CO 0.16 0.49 -0.66 0.28 -0.95 0.00 0.00 178.83 178.15 1u6g h VAL 84 N 0.44 1.42 -0.36 -0.54 2.07 -1.58 -1.80 116.25 115.89 1u6g h VAL 84 Ca 0.10 -2.13 -0.02 0.00 0.82 0.00 0.00 66.70 65.47 1u6g h VAL 84 Cb 0.31 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1u6g h VAL 84 CO 0.01 0.62 0.16 -0.08 0.02 0.00 0.00 177.57 178.30 1u6g h GLU 85 N 0.14 0.53 0.00 1.57 4.81 -0.48 -2.97 114.58 118.18 1u6g h GLU 85 Ca -0.01 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1u6g h GLU 85 Cb 1.19 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1u6g h GLU 85 CO 0.10 0.50 0.00 2.41 -0.73 0.00 0.00 179.01 181.29 1u6g n THR 86 N -4.70 0.00 0.00 0.32 -1.04 0.18 -1.74 114.28 107.29 1u6g n THR 86 Ca -0.01 1.43 0.00 0.00 -2.04 0.00 0.00 64.05 63.44 1u6g n THR 86 Cb 0.12 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 66.40 1u6g n THR 86 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1u6g n ILE 87 N -2.18 0.00 -0.09 12.58 5.41 -0.71 0.24 119.36 134.61 1u6g n ILE 87 Ca 0.00 0.42 -0.02 0.00 1.00 0.00 0.00 62.75 64.15 1u6g n ILE 87 Cb 0.00 -0.68 -0.02 0.00 -0.71 0.00 0.00 39.64 38.23 1u6g n ILE 87 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1u6g n VAL 88 N -0.51 -0.15 -0.22 1.39 0.31 -1.13 0.96 118.33 118.99 1u6g n VAL 88 Ca 0.00 0.98 -0.05 0.00 -0.01 0.00 0.00 64.34 65.27 1u6g n VAL 88 Cb 0.00 -1.26 0.01 0.00 -0.91 0.00 0.00 33.84 31.68 1u6g n VAL 88 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1u6g h ASP 89 N 0.00 -1.15 -0.89 4.52 3.58 0.01 0.53 116.42 123.02 1u6g h ASP 89 Ca 0.03 0.23 0.06 0.00 0.42 0.00 0.00 57.03 57.77 1u6g h ASP 89 Cb 0.09 0.58 -0.06 0.00 1.72 0.00 0.00 39.33 41.66 1u6g h ASP 89 CO -0.20 -0.30 0.58 0.74 -2.88 0.00 0.00 179.24 177.18 1u6g h THR 90 N -0.14 1.09 0.04 2.25 2.02 0.51 -1.76 112.91 116.91 1u6g h THR 90 Ca 0.25 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1u6g h THR 90 Cb 0.55 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1u6g h THR 90 CO -0.71 0.19 -0.02 -0.07 0.37 0.00 0.00 175.52 175.28 1u6g h LEU 91 N 1.04 -0.05 -2.59 2.58 3.38 0.31 -2.82 115.31 117.16 1u6g h LEU 91 Ca 0.38 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1u6g h LEU 91 Cb 0.15 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1u6g h LEU 91 CO -0.13 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.85 1u6g h THR 93 N 0.00 0.88 0.00 0.00 2.02 -1.30 -3.27 112.91 111.24 1u6g h THR 93 Ca 0.00 -2.45 -0.01 0.00 0.77 0.00 0.00 66.41 64.73 1u6g h THR 93 Cb 0.02 2.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1u6g h THR 93 CO 0.00 0.83 -0.04 0.78 0.37 0.00 0.00 175.52 177.47 1u6g h ASN 94 N 0.01 0.00 -1.16 4.18 2.35 -1.17 -1.82 115.58 117.97 1u6g h ASN 94 Ca -0.36 0.00 0.34 0.00 -0.55 0.00 0.00 56.30 55.73 1u6g h ASN 94 Cb 2.01 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 40.28 1u6g h ASN 94 CO 0.13 0.04 0.75 0.24 -1.65 0.00 0.00 177.43 176.94 1u6g h MET 95 N 0.00 0.24 -0.49 0.81 2.86 -1.54 0.87 114.93 117.68 1u6g h MET 95 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1u6g h MET 95 Cb 0.18 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1u6g h MET 95 CO 0.00 0.16 0.00 1.28 1.06 0.00 0.00 176.91 179.41 1u6g n LEU 96 N -4.63 3.44 -4.48 1.22 4.32 -0.68 -4.75 117.00 111.44 1u6g n LEU 96 Ca 0.30 -1.79 -0.39 0.00 -0.02 0.00 0.00 56.01 54.11 1u6g n LEU 96 Cb 1.13 -0.32 0.03 0.00 -1.62 0.00 0.00 43.42 42.63 1u6g n LEU 96 CO 0.24 0.81 0.12 -0.24 -1.22 0.00 0.00 177.39 177.11 1u6g n SER 97 N 1.27 -0.74 -0.77 -1.43 2.88 0.30 -4.87 113.62 110.26 1u6g n SER 97 Ca 0.19 0.82 0.06 0.00 -1.33 0.00 0.00 58.87 58.61 1u6g n SER 97 Cb 0.55 -1.18 0.18 0.00 -0.75 0.00 0.00 64.21 63.01 1u6g n SER 97 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1u6g n ASP 98 N 0.73 2.24 -0.65 -3.46 8.00 -1.26 -4.61 116.55 117.54 1u6g n ASP 98 Ca 0.11 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1u6g n ASP 98 Cb 0.44 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1u6g n ASP 98 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1u6g n LYS 99 N 0.65 3.70 0.16 -1.24 5.02 -1.26 -5.08 118.16 120.11 1u6g n LYS 99 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1u6g n LYS 99 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 1u6g n LYS 99 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1u6g n GLU 100 N 0.00 0.00 0.30 1.97 2.13 -1.26 -4.78 120.64 118.99 1u6g n GLU 100 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1u6g n GLU 100 Cb 0.00 0.00 0.60 0.00 0.27 0.00 0.00 31.44 32.31 1u6g n GLU 100 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1u6g h GLN 101 N 0.00 0.00 -0.07 5.31 4.15 -1.98 1.07 115.11 123.60 1u6g h GLN 101 Ca 0.00 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.20 1u6g h GLN 101 Cb 0.00 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.70 1u6g h GLN 101 CO 0.00 0.00 -0.81 1.25 -1.93 0.00 0.00 178.83 177.34 1u6g h LEU 102 N 0.00 0.82 -1.16 -2.39 5.85 -1.91 -1.91 115.31 114.61 1u6g h LEU 102 Ca 0.03 -0.69 -0.04 0.00 0.84 0.00 0.00 57.88 58.02 1u6g h LEU 102 Cb 1.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1u6g h LEU 102 CO -0.00 1.39 0.09 0.03 -0.34 0.00 0.00 178.44 179.61 1u6g h ARG 103 N 0.32 0.67 -0.02 1.25 3.08 0.11 0.78 114.38 120.57 1u6g h ARG 103 Ca -0.08 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 1u6g h ARG 103 Cb 1.46 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1u6g h ARG 103 CO 0.16 0.63 -0.19 -0.44 -1.07 0.00 0.00 179.97 179.06 1u6g h ASP 104 N 0.65 0.20 0.38 7.04 3.32 -1.39 -1.90 116.42 124.73 1u6g h ASP 104 Ca 0.15 -0.71 -0.15 0.00 0.02 0.00 0.00 57.03 56.33 1u6g h ASP 104 Cb 0.28 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1u6g h ASP 104 CO 0.00 0.89 -0.64 -0.29 -1.72 0.00 0.00 179.24 177.48 1u6g h ILE 105 N -0.46 1.40 -0.52 0.35 2.10 -1.31 -0.93 117.51 118.14 1u6g h ILE 105 Ca -0.02 -2.06 -0.08 0.00 1.08 0.00 0.00 64.86 63.78 1u6g h ILE 105 Cb 0.90 2.06 -0.02 0.00 -1.09 0.00 0.00 36.82 38.67 1u6g h ILE 105 CO 0.04 0.61 -0.01 0.28 -1.08 0.00 0.00 178.15 177.98 1u6g h SER 106 N 0.17 0.87 0.10 2.19 0.02 -0.93 0.18 113.55 116.16 1u6g h SER 106 Ca -0.01 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1u6g h SER 106 Cb 1.16 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1u6g h SER 106 CO 0.10 0.94 -0.05 -1.28 -1.14 0.00 0.00 176.83 175.40 1u6g h SER 107 N 0.83 -0.11 -0.33 3.07 0.87 -0.90 -1.22 113.55 115.76 1u6g h SER 107 Ca 0.15 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1u6g h SER 107 Cb 0.51 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1u6g h SER 107 CO 0.03 -0.04 0.20 0.40 -0.53 0.00 0.00 176.83 176.88 1u6g h ILE 108 N -0.18 1.11 -0.45 2.23 1.08 -0.94 -2.58 117.51 117.78 1u6g h ILE 108 Ca -0.01 -0.27 0.09 0.00 -0.39 0.00 0.00 64.86 64.28 1u6g h ILE 108 Cb 0.14 0.70 -0.10 0.00 -3.07 0.00 0.00 36.82 34.50 1u6g h ILE 108 CO 0.02 0.11 -0.28 1.23 -0.69 0.00 0.00 178.15 178.55 1u6g h GLY 109 N 0.42 -0.07 -0.09 5.37 0.00 -0.38 -1.37 103.07 106.95 1u6g h GLY 109 Ca 0.12 0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.82 1u6g h GLY 109 CO -0.02 -0.21 -0.25 -2.00 0.00 0.00 0.00 176.54 174.06 1u6g h LEU 110 N -0.18 -0.81 -0.93 3.11 5.85 -0.90 -1.75 115.31 119.69 1u6g h LEU 110 Ca 0.20 0.10 0.26 0.00 0.84 0.00 0.00 57.88 59.28 1u6g h LEU 110 Cb 0.51 0.32 -0.17 0.00 0.37 0.00 0.00 40.66 41.69 1u6g h LEU 110 CO -0.56 -0.22 0.08 0.11 -0.34 0.00 0.00 178.44 177.52 1u6g h LYS 111 N -0.25 0.06 0.27 1.25 1.57 -0.99 -0.87 116.57 117.61 1u6g h LYS 111 Ca 0.02 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1u6g h LYS 111 Cb 0.31 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1u6g h LYS 111 CO -0.22 0.04 -0.37 1.15 -0.57 0.00 0.00 179.45 179.48 1u6g h THR 112 N 0.06 0.24 -0.15 -0.16 2.02 -0.38 -1.46 112.91 113.07 1u6g h THR 112 Ca 0.57 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.79 1u6g h THR 112 Cb 1.18 0.24 -0.07 0.00 -1.74 0.00 0.00 68.15 67.76 1u6g h THR 112 CO -0.83 0.00 -0.46 0.58 0.37 0.00 0.00 175.52 175.18 1u6g h VAL 113 N -0.70 0.10 -0.99 3.16 2.07 -0.79 -2.08 116.25 117.02 1u6g h VAL 113 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1u6g h VAL 113 Cb 0.66 0.10 -0.12 0.00 -1.52 0.00 0.00 31.29 30.41 1u6g h VAL 113 CO -0.13 0.00 -0.56 -0.38 0.02 0.00 0.00 177.57 176.52 1u6g n ILE 114 N -5.44 -0.66 -0.07 4.57 2.08 -0.87 -1.91 119.36 117.07 1u6g n ILE 114 Ca -0.04 2.39 -0.07 0.00 0.56 0.00 0.00 62.75 65.59 1u6g n ILE 114 Cb 0.37 -2.98 -0.00 0.00 -0.75 0.00 0.00 39.64 36.28 1u6g n ILE 114 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1u6g h GLY 115 N 0.00 0.27 1.90 7.39 0.00 -0.65 -2.81 103.07 109.17 1u6g h GLY 115 Ca 0.18 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1u6g h GLY 115 CO -0.94 -0.07 0.04 -2.09 0.00 0.00 0.00 176.54 173.49 1u6g h GLU 116 N 0.08 0.00 -7.32 4.80 4.22 -0.73 -3.45 114.58 112.17 1u6g h GLU 116 Ca 0.14 0.00 -0.46 0.00 0.08 0.00 0.00 59.36 59.12 1u6g h GLU 116 Cb 0.18 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.53 1u6g h GLU 116 CO -0.24 0.00 0.21 -0.51 -2.18 0.00 0.00 179.01 176.29 1u6g s LEU 117 N -5.26 2.89 0.00 1.64 1.43 -1.06 -5.09 118.68 113.23 1u6g s LEU 117 Ca -0.03 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1u6g s LEU 117 Cb 0.09 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.84 1u6g s LEU 117 CO 0.29 -1.93 0.00 -2.65 0.23 0.00 0.00 176.35 172.29 1u6g n PRO 118 N -3.04 0.00 -0.06 1.29 -0.02 -1.26 -5.06 135.00 126.85 1u6g n PRO 118 Ca 0.12 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.58 1u6g n PRO 118 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.07 1u6g n PRO 118 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1u6g h SER 124 N 0.00 0.00 -0.47 2.55 4.64 -2.04 -3.42 113.55 114.81 1u6g h SER 124 Ca 0.00 -0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.36 1u6g h SER 124 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1u6g h SER 124 CO 0.00 0.61 0.32 0.00 -0.87 0.00 0.00 176.83 176.89 1u6g h ALA 125 N -0.96 2.06 -0.56 5.18 0.00 -2.06 -3.12 119.26 119.80 1u6g h ALA 125 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u6g h ALA 125 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u6g h ALA 125 CO -0.00 -0.16 0.00 -0.11 0.00 0.00 0.00 179.25 178.98 1u6g n LEU 126 N -4.47 0.00 0.00 0.00 0.00 -1.26 -2.54 117.00 108.74 1u6g n LEU 126 Ca 0.07 0.91 0.00 0.00 0.00 0.00 0.00 56.01 56.99 1u6g n LEU 126 Cb 0.33 -0.41 0.00 0.00 0.00 0.00 0.00 43.42 43.34 1u6g n LEU 126 CO 0.35 -0.41 0.24 0.00 0.00 0.00 0.00 177.39 177.57 1u6g n ALA 127 N -1.97 0.37 -1.00 1.96 0.00 -1.18 -3.83 120.51 114.87 1u6g n ALA 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u6g n ALA 127 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1u6g n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u6g n ALA 128 N -0.84 0.00 0.24 0.00 0.00 -1.05 -3.11 120.51 115.75 1u6g n ALA 128 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1u6g n ALA 128 Cb 0.14 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.19 1u6g n ALA 128 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1u6g h ASN 129 N 0.00 0.00 -0.51 0.00 2.35 -1.84 -2.91 115.58 112.68 1u6g h ASN 129 Ca 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.90 1u6g h ASN 129 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1u6g h ASN 129 CO 0.00 0.18 0.67 0.58 -1.65 0.00 0.00 177.43 177.21 1u6g h VAL 130 N 0.00 0.20 0.00 2.81 2.07 -1.68 1.58 116.25 121.23 1u6g h VAL 130 Ca -0.00 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.32 1u6g h VAL 130 Cb 0.38 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1u6g h VAL 130 CO 0.02 0.00 -1.75 0.00 0.02 0.00 0.00 177.57 175.87 1u6g h LYS 132 N 0.00 -0.28 -0.20 0.00 3.64 -0.43 1.21 116.57 120.51 1u6g h LYS 132 Ca -0.29 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.16 1u6g h LYS 132 Cb 1.48 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.29 1u6g h LYS 132 CO -0.04 -0.19 -0.40 -0.22 -2.27 0.00 0.00 179.45 176.33 1u6g h LYS 133 N -0.29 -0.42 -0.55 1.90 3.64 0.18 -2.14 116.57 118.89 1u6g h LYS 133 Ca 0.03 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1u6g h LYS 133 Cb 0.37 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.20 1u6g h LYS 133 CO -0.30 -0.28 -0.56 0.82 -2.27 0.00 0.00 179.45 176.86 1u6g h ILE 134 N -0.43 0.00 -0.87 2.00 2.04 -1.43 -0.19 117.51 118.63 1u6g h ILE 134 Ca 0.10 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.27 1u6g h ILE 134 Cb 0.60 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.52 1u6g h ILE 134 CO -0.43 0.00 0.28 0.41 0.00 0.00 0.00 178.15 178.40 1u6g n THR 135 N -5.35 -0.37 -0.23 -0.27 -1.04 0.41 0.22 114.28 107.66 1u6g n THR 135 Ca -0.02 1.83 -0.08 0.00 -2.04 0.00 0.00 64.05 63.74 1u6g n THR 135 Cb 0.32 -2.85 0.03 0.00 -1.82 0.00 0.00 70.33 66.02 1u6g n THR 135 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1u6g h GLY 136 N 0.00 1.16 0.97 3.41 0.00 -0.84 -2.40 103.07 105.37 1u6g h GLY 136 Ca 0.65 -0.79 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1u6g h GLY 136 CO -0.74 0.73 0.09 -0.09 0.00 0.00 0.00 176.54 176.54 1u6g h ARG 137 N 0.98 0.77 -0.52 4.80 9.65 0.28 -2.98 114.38 127.36 1u6g h ARG 137 Ca 0.19 -0.20 -0.07 0.00 -1.10 0.00 0.00 59.98 58.80 1u6g h ARG 137 Cb 0.47 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 1u6g h ARG 137 CO 0.02 0.77 0.04 -0.07 2.80 0.00 0.00 179.97 183.53 1u6g h LEU 138 N 0.65 0.81 0.16 3.80 3.38 -1.21 -2.86 115.31 120.04 1u6g h LEU 138 Ca 0.14 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1u6g h LEU 138 Cb 0.37 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1u6g h LEU 138 CO 0.01 0.85 -0.51 0.74 0.09 0.00 0.00 178.44 179.62 1u6g h THR 139 N 0.80 0.00 -0.42 0.22 2.02 -1.27 1.45 112.91 115.70 1u6g h THR 139 Ca 0.16 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.36 1u6g h THR 139 Cb 0.42 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1u6g h THR 139 CO 0.01 0.00 0.28 0.77 0.37 0.00 0.00 175.52 176.95 1u6g h SER 140 N -0.77 0.44 0.12 4.18 4.64 -1.59 -1.41 113.55 119.16 1u6g h SER 140 Ca -0.01 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1u6g h SER 140 Cb 0.75 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1u6g h SER 140 CO -0.25 0.31 -0.06 0.00 -0.87 0.00 0.00 176.83 175.96 1u6g h ALA 141 N 1.75 -0.16 0.00 5.18 0.00 -0.87 -2.81 119.26 122.35 1u6g h ALA 141 Ca 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1u6g h ALA 141 Cb 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u6g h ALA 141 CO -0.04 -0.51 -0.10 0.82 0.00 0.00 0.00 179.25 179.42 1u6g h ILE 142 N -0.31 0.66 -2.60 0.00 2.04 0.26 -3.39 117.51 114.16 1u6g h ILE 142 Ca -0.02 -0.44 -0.60 0.00 1.00 0.00 0.00 64.86 64.81 1u6g h ILE 142 Cb 0.25 1.27 0.11 0.00 -0.74 0.00 0.00 36.82 37.71 1u6g h ILE 142 CO 0.03 0.10 0.18 0.00 0.00 0.00 0.00 178.15 178.46 1u6g n ALA 143 N -2.33 -0.01 0.00 1.87 0.00 -0.59 -4.59 120.51 114.87 1u6g n ALA 143 Ca -0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1u6g n ALA 143 Cb 0.21 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1u6g n ALA 143 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1u6g n LYS 144 N 0.68 0.00 -0.42 0.00 2.85 -1.26 -4.77 118.16 115.24 1u6g n LYS 144 Ca 0.09 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.18 1u6g n LYS 144 Cb 0.33 -1.21 -0.03 0.00 -0.65 0.00 0.00 35.03 33.48 1u6g n LYS 144 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1u6g n GLN 145 N -0.23 0.00 -0.01 -1.58 6.02 -1.26 -4.48 117.38 115.83 1u6g n GLN 145 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1u6g n GLN 145 Cb 0.00 -0.37 -0.00 0.00 1.02 0.00 0.00 30.24 30.89 1u6g n GLN 145 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1u6g n GLU 146 N 1.05 0.03 -3.72 -1.09 -0.58 -1.26 -4.29 120.64 110.78 1u6g n GLU 146 Ca 0.08 -0.01 -0.20 0.00 -0.42 0.00 0.00 57.16 56.61 1u6g n GLU 146 Cb -0.01 -1.50 -0.18 0.00 -0.57 0.00 0.00 31.44 29.18 1u6g n GLU 146 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1u6g s ASP 147 N 2.51 1.14 -0.03 1.62 2.15 -1.26 -5.05 116.67 117.75 1u6g s ASP 147 Ca 0.01 0.03 -0.01 0.00 0.43 0.00 0.00 52.55 53.01 1u6g s ASP 147 Cb 0.00 -0.21 -0.00 0.00 -0.30 0.00 0.00 42.92 42.41 1u6g s ASP 147 CO 0.00 -0.22 -0.01 0.58 -0.17 0.00 0.00 175.17 175.35 1u6g h VAL 148 N 6.39 0.00 0.00 1.11 2.07 -1.93 -3.31 116.25 120.57 1u6g h VAL 148 Ca -0.18 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1u6g h VAL 148 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1u6g h VAL 148 CO 0.22 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.27 1u6g n SER 149 N -2.80 0.00 0.31 0.57 3.41 -1.26 0.42 113.62 114.28 1u6g n SER 149 Ca -0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1u6g n SER 149 Cb 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.88 1u6g n SER 149 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1u6g h VAL 150 N 0.00 0.44 0.00 -3.33 2.07 -1.91 -2.56 116.25 110.96 1u6g h VAL 150 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1u6g h VAL 150 Cb 0.00 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1u6g h VAL 150 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1u6g n GLN 151 N -5.40 0.00 -0.16 1.57 6.02 1.43 -1.30 117.38 119.54 1u6g n GLN 151 Ca -0.12 0.52 0.13 0.00 -0.01 0.00 0.00 57.00 57.52 1u6g n GLN 151 Cb 0.32 -1.21 0.24 0.00 1.02 0.00 0.00 30.24 30.61 1u6g n GLN 151 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1u6g n LEU 152 N -1.58 0.10 0.05 1.08 4.77 -0.60 0.24 117.00 121.07 1u6g n LEU 152 Ca 0.00 0.80 -0.08 0.00 -0.03 0.00 0.00 56.01 56.69 1u6g n LEU 152 Cb 0.00 -0.36 -0.13 0.00 -2.33 0.00 0.00 43.42 40.60 1u6g n LEU 152 CO 0.00 -0.87 0.01 -0.33 -1.33 0.00 0.00 177.39 174.87 1u6g h GLU 153 N 0.00 0.04 -0.29 3.23 4.39 -1.00 -2.94 114.58 118.01 1u6g h GLU 153 Ca 0.37 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.89 1u6g h GLU 153 Cb 0.94 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1u6g h GLU 153 CO -0.39 0.96 -0.29 0.00 -1.16 0.00 0.00 179.01 178.13 1u6g h ALA 154 N 0.94 0.42 -0.49 3.43 0.00 0.45 -2.05 119.26 121.95 1u6g h ALA 154 Ca -0.07 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1u6g h ALA 154 Cb 1.83 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 1u6g h ALA 154 CO 0.13 0.44 0.33 -0.07 0.00 0.00 0.00 179.25 180.08 1u6g h LEU 155 N 0.45 0.49 0.30 0.00 3.38 -0.80 1.27 115.31 120.40 1u6g h LEU 155 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1u6g h LEU 155 Cb 0.86 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1u6g h LEU 155 CO 0.07 0.34 -0.15 -0.78 0.09 0.00 0.00 178.44 178.01 1u6g h ASP 156 N 0.57 -0.35 -0.12 -0.43 -0.00 -1.30 -1.20 116.42 113.59 1u6g h ASP 156 Ca 0.20 -0.19 0.04 0.00 -0.00 0.00 0.00 57.03 57.08 1u6g h ASP 156 Cb 0.09 0.09 -0.04 0.00 -0.00 0.00 0.00 39.33 39.46 1u6g h ASP 156 CO -0.05 0.06 -0.14 0.40 -0.00 0.00 0.00 179.24 179.51 1u6g h ILE 157 N -0.82 0.63 -1.03 2.25 2.04 -0.80 0.87 117.51 120.64 1u6g h ILE 157 Ca -0.04 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.07 1u6g h ILE 157 Cb 0.52 0.63 -0.11 0.00 -0.74 0.00 0.00 36.82 37.11 1u6g h ILE 157 CO 0.07 0.00 0.63 -0.03 0.00 0.00 0.00 178.15 178.82 1u6g h MET 158 N -0.18 0.48 0.06 2.37 4.05 0.16 0.44 114.93 122.32 1u6g h MET 158 Ca 0.09 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.37 1u6g h MET 158 Cb 0.30 -0.11 0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1u6g h MET 158 CO -0.22 0.32 -0.44 0.00 0.23 0.00 0.00 176.91 176.79 1u6g h ALA 159 N 1.68 -0.03 -0.58 0.39 0.00 0.26 -1.49 119.26 119.47 1u6g h ALA 159 Ca 0.62 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1u6g h ALA 159 Cb 1.36 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1u6g h ALA 159 CO -0.39 0.20 0.39 -0.44 0.00 0.00 0.00 179.25 179.01 1u6g h ASP 160 N -0.58 0.59 0.00 0.00 5.19 0.22 -3.16 116.42 118.69 1u6g h ASP 160 Ca -0.07 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.23 1u6g h ASP 160 Cb 1.31 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 1u6g h ASP 160 CO 0.08 0.41 -0.57 -0.03 -3.12 0.00 0.00 179.24 176.01 1u6g h MET 161 N 0.69 0.00 -1.20 3.56 4.05 -0.29 -3.26 114.93 118.48 1u6g h MET 161 Ca 0.23 0.00 0.41 0.00 -0.28 0.00 0.00 59.70 60.07 1u6g h MET 161 Cb 0.07 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 30.73 1u6g h MET 161 CO -0.06 0.85 0.74 1.25 0.23 0.00 0.00 176.91 179.91 1u6g h LEU 162 N -1.00 0.31 0.01 3.39 6.46 -1.27 -1.99 115.31 121.22 1u6g h LEU 162 Ca -0.15 0.17 -0.32 0.00 -0.12 0.00 0.00 57.88 57.46 1u6g h LEU 162 Cb 1.01 0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 41.05 1u6g h LEU 162 CO -0.09 -0.23 -1.93 -1.54 -0.62 0.00 0.00 178.44 174.02 1u6g n SER 163 N -4.88 0.81 0.14 1.25 3.41 -1.20 -1.94 113.62 111.23 1u6g n SER 163 Ca 0.37 0.27 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 1u6g n SER 163 Cb 1.33 0.11 0.27 0.00 -0.26 0.00 0.00 64.21 65.66 1u6g n SER 163 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1u6g h ARG 164 N 0.01 0.00 -1.52 4.33 2.43 -1.50 -3.34 114.38 114.79 1u6g h ARG 164 Ca -0.38 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.35 1u6g h ARG 164 Cb 2.07 0.00 -0.34 0.00 -0.42 0.00 0.00 29.97 31.28 1u6g h ARG 164 CO 0.06 0.00 -1.00 1.04 -1.51 0.00 0.00 179.97 178.56 1u6g n GLN 165 N -2.59 0.89 -0.01 0.20 3.00 -0.78 -4.94 117.38 113.15 1u6g n GLN 165 Ca 0.04 -2.97 -0.13 0.00 -0.01 0.00 0.00 57.00 53.93 1u6g n GLN 165 Cb 0.48 -1.45 -0.14 0.00 0.00 0.00 0.00 30.24 29.13 1u6g n GLN 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1u6g n GLY 166 N 0.72 -0.84 0.46 1.08 0.00 -0.82 -4.20 105.19 101.59 1u6g n GLY 166 Ca 0.20 -0.12 0.24 0.00 0.00 0.00 0.00 46.02 46.33 1u6g n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6g n GLY 167 N 1.71 -0.66 0.00 -0.02 0.00 -1.26 -4.45 105.19 100.51 1u6g n GLY 167 Ca -0.22 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1u6g n GLY 167 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1u6g n LEU 168 N -2.97 0.00 0.00 0.99 -0.00 -1.26 -4.72 117.00 109.04 1u6g n LEU 168 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 1u6g n LEU 168 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.75 1u6g n LEU 168 CO 0.20 0.00 0.00 0.18 -0.00 0.00 0.00 177.39 177.77 1u6g n LEU 169 N 0.00 0.43 -0.33 1.47 4.32 -1.26 -4.85 117.00 116.79 1u6g n LEU 169 Ca 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 56.01 56.31 1u6g n LEU 169 Cb 0.00 -1.10 0.59 0.00 -1.62 0.00 0.00 43.42 41.30 1u6g n LEU 169 CO 0.00 -0.35 1.07 0.52 -1.22 0.00 0.00 177.39 177.41 1u6g n VAL 170 N -2.35 -0.41 1.78 4.08 0.31 -1.26 0.30 118.33 120.78 1u6g n VAL 170 Ca 0.00 2.01 0.14 0.00 -0.01 0.00 0.00 64.34 66.48 1u6g n VAL 170 Cb 0.13 -3.27 0.73 0.00 -0.91 0.00 0.00 33.84 30.52 1u6g n VAL 170 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1u6g n ASN 171 N -5.22 0.61 -0.03 4.52 6.94 -1.26 -3.50 115.26 117.32 1u6g n ASN 171 Ca 0.38 -1.26 0.02 0.00 -0.02 0.00 0.00 54.58 53.70 1u6g n ASN 171 Cb 1.30 -0.01 -0.11 0.00 -2.36 0.00 0.00 39.78 38.61 1u6g n ASN 171 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1u6g n PHE 172 N -0.49 0.00 -0.27 -2.53 3.01 0.87 -4.73 117.46 113.32 1u6g n PHE 172 Ca 0.21 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.54 1u6g n PHE 172 Cb 0.20 -0.45 -0.10 0.00 -0.01 0.00 0.00 39.48 39.12 1u6g n PHE 172 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1u6g h HIS 173 N 0.00 -1.80 -0.40 1.38 3.86 -1.40 0.36 115.15 117.16 1u6g h HIS 173 Ca -0.14 0.10 0.12 0.00 -1.16 0.00 0.00 60.37 59.29 1u6g h HIS 173 Cb 1.10 0.87 -0.02 0.00 1.06 0.00 0.00 27.41 30.43 1u6g h HIS 173 CO 0.00 -0.44 0.39 -1.00 0.86 0.00 0.00 177.93 177.74 1u6g h PRO 174 N -0.22 0.00 0.04 2.45 0.13 -1.85 0.62 132.00 133.18 1u6g h PRO 174 Ca 0.11 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.00 1u6g h PRO 174 Cb 0.51 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1u6g h PRO 174 CO -0.75 0.00 -1.19 0.77 -0.23 0.00 0.00 178.00 176.60 1u6g h SER 175 N 0.00 0.12 0.38 1.44 0.02 -0.90 -2.94 113.55 111.67 1u6g h SER 175 Ca 0.19 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1u6g h SER 175 Cb 0.97 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1u6g h SER 175 CO -0.00 1.12 -0.18 0.40 -1.14 0.00 0.00 176.83 177.02 1u6g h ILE 176 N 0.02 0.00 -0.84 3.27 1.08 0.38 -3.30 117.51 118.12 1u6g h ILE 176 Ca -0.09 -0.38 0.18 0.00 -0.39 0.00 0.00 64.86 64.18 1u6g h ILE 176 Cb 1.86 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 35.46 1u6g h ILE 176 CO 0.14 0.00 -0.15 0.25 -0.69 0.00 0.00 178.15 177.70 1u6g h LEU 177 N -0.89 -0.68 0.00 1.44 5.85 -0.80 0.26 115.31 120.48 1u6g h LEU 177 Ca -0.05 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1u6g h LEU 177 Cb 0.39 0.49 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1u6g h LEU 177 CO 0.09 -0.27 0.00 0.35 -0.34 0.00 0.00 178.44 178.27 1u6g n THR 178 N -5.51 1.80 0.25 1.05 -2.24 -1.11 -0.97 114.28 107.54 1u6g n THR 178 Ca 0.14 0.45 0.04 0.00 -2.27 0.00 0.00 64.05 62.41 1u6g n THR 178 Cb 0.47 -1.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.19 1u6g n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u6g h LEU 180 N 0.00 0.00 -0.50 0.00 3.38 -0.64 -3.40 115.31 114.14 1u6g h LEU 180 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1u6g h LEU 180 Cb 0.29 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 1u6g h LEU 180 CO 0.00 0.25 -0.14 0.18 0.09 0.00 0.00 178.44 178.82 1u6g n LEU 181 N -3.21 -0.22 0.31 1.67 4.77 -0.86 0.24 117.00 119.70 1u6g n LEU 181 Ca -0.01 0.86 0.19 0.00 -0.03 0.00 0.00 56.01 57.02 1u6g n LEU 181 Cb 0.04 -0.24 1.02 0.00 -2.33 0.00 0.00 43.42 41.91 1u6g n LEU 181 CO 0.02 -0.81 1.12 1.55 -1.33 0.00 0.00 177.39 177.93 1u6g h PRO 182 N 0.00 0.00 0.00 3.23 0.13 -1.85 -1.64 132.00 131.87 1u6g h PRO 182 Ca 0.22 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.30 1u6g h PRO 182 Cb 0.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1u6g h PRO 182 CO -0.51 0.02 -0.26 1.96 -0.23 0.00 0.00 178.00 178.98 1u6g h GLN 183 N 0.00 0.00 0.00 0.86 1.08 0.28 -2.80 115.11 114.53 1u6g h GLN 183 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1u6g h GLN 183 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1u6g h GLN 183 CO 0.00 0.26 0.00 1.28 -0.95 0.00 0.00 178.83 179.42 1u6g n LEU 184 N -3.27 0.00 -0.00 1.46 4.77 -0.62 0.06 117.00 119.40 1u6g n LEU 184 Ca 0.01 0.04 0.06 0.00 -0.03 0.00 0.00 56.01 56.09 1u6g n LEU 184 Cb 0.53 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 1u6g n LEU 184 CO 0.35 -0.04 -0.48 0.41 -1.33 0.00 0.00 177.39 176.30 1u6g n THR 185 N -1.04 0.00 -1.04 -5.08 -1.04 -1.06 -4.85 114.28 100.18 1u6g n THR 185 Ca 0.01 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.34 1u6g n THR 185 Cb 0.01 0.43 -0.06 0.00 -1.82 0.00 0.00 70.33 68.88 1u6g n THR 185 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1u6g n SER 186 N -1.76 0.26 0.25 8.00 2.88 0.11 -4.83 113.62 118.53 1u6g n SER 186 Ca -0.01 0.77 0.15 0.00 -1.33 0.00 0.00 58.87 58.45 1u6g n SER 186 Cb 0.29 -0.60 0.84 0.00 -0.75 0.00 0.00 64.21 64.00 1u6g n SER 186 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1u6g h PRO 187 N 2.41 0.00 -5.89 -1.46 0.11 -1.97 -3.36 132.00 121.84 1u6g h PRO 187 Ca -0.32 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.21 1u6g h PRO 187 Cb 0.93 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.97 1u6g h PRO 187 CO 0.50 0.00 -0.09 1.03 -0.21 0.00 0.00 178.00 179.23 1u6g s ARG 188 N -4.70 4.30 0.08 1.05 3.00 -1.26 -4.96 118.95 116.46 1u6g s ARG 188 Ca -0.05 0.57 0.05 0.00 0.00 0.00 0.00 55.73 56.30 1u6g s ARG 188 Cb 0.16 -3.39 -0.23 0.00 0.00 0.00 0.00 34.95 31.49 1u6g s ARG 188 CO 0.57 0.26 1.14 -0.07 0.00 0.00 0.00 175.30 177.20 1u6g h LEU 189 N 6.21 0.09 -1.85 2.53 -0.00 -1.97 -3.21 115.31 117.10 1u6g h LEU 189 Ca -0.43 -0.10 0.29 0.00 -0.00 0.00 0.00 57.88 57.63 1u6g h LEU 189 Cb 1.19 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.77 1u6g h LEU 189 CO 0.72 1.08 0.73 0.00 -0.00 0.00 0.00 178.44 180.98 1u6g h ALA 190 N 0.90 2.81 -0.21 1.53 0.00 -1.93 0.94 119.26 123.31 1u6g h ALA 190 Ca -0.09 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1u6g h ALA 190 Cb 1.85 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1u6g h ALA 190 CO 0.14 -1.13 -0.66 0.28 0.00 0.00 0.00 179.25 177.88 1u6g h VAL 191 N 0.10 1.29 -0.34 0.00 2.07 -1.90 -1.77 116.25 115.70 1u6g h VAL 191 Ca 0.52 -1.87 0.02 0.00 0.82 0.00 0.00 66.70 66.18 1u6g h VAL 191 Cb 1.87 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.44 1u6g h VAL 191 CO -0.07 0.60 0.18 0.03 0.02 0.00 0.00 177.57 178.33 1u6g h ARG 192 N 0.56 0.36 0.00 1.57 -0.00 0.76 -0.09 114.38 117.54 1u6g h ARG 192 Ca -0.02 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1u6g h ARG 192 Cb 1.26 -0.08 -0.00 0.00 0.00 0.00 0.00 29.97 31.15 1u6g h ARG 192 CO 0.14 0.24 -0.00 0.87 0.00 0.00 0.00 179.97 181.22 1u6g h LYS 193 N 0.38 -0.00 -0.86 0.04 1.57 -1.12 -1.32 116.57 115.25 1u6g h LYS 193 Ca 0.14 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 59.27 1u6g h LYS 193 Cb 0.03 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.18 1u6g h LYS 193 CO -0.08 -0.00 0.44 -2.13 -0.57 0.00 0.00 179.45 177.12 1u6g n ARG 194 N -2.22 -0.05 0.04 3.15 3.00 -0.67 0.42 116.66 120.33 1u6g n ARG 194 Ca -0.00 1.19 -0.13 0.00 -0.00 0.00 0.00 57.85 58.91 1u6g n ARG 194 Cb 0.00 -2.12 -0.09 0.00 0.00 0.00 0.00 32.46 30.25 1u6g n ARG 194 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1u6g h THR 195 N 0.00 1.12 -0.86 5.15 2.02 -0.72 -2.74 112.91 116.89 1u6g h THR 195 Ca 0.72 -0.84 0.13 0.00 0.77 0.00 0.00 66.41 67.19 1u6g h THR 195 Cb 1.89 1.65 -0.09 0.00 -1.74 0.00 0.00 68.15 69.87 1u6g h THR 195 CO -0.67 0.20 0.47 0.40 0.37 0.00 0.00 175.52 176.29 1u6g h ILE 196 N -0.52 0.79 -0.52 3.11 2.04 0.11 0.24 117.51 122.78 1u6g h ILE 196 Ca -0.01 -0.24 0.09 0.00 1.00 0.00 0.00 64.86 65.70 1u6g h ILE 196 Cb 0.43 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.47 1u6g h ILE 196 CO 0.02 0.13 0.10 0.40 0.00 0.00 0.00 178.15 178.80 1u6g h ILE 197 N 0.70 0.69 0.32 -0.67 1.08 -1.17 0.68 117.51 119.14 1u6g h ILE 197 Ca 0.45 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.84 1u6g h ILE 197 Cb 0.56 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 1u6g h ILE 197 CO -0.32 0.04 -0.31 0.00 -0.69 0.00 0.00 178.15 176.87 1u6g h ALA 198 N 1.41 -0.67 -0.40 1.87 0.00 -0.29 -0.90 119.26 120.29 1u6g h ALA 198 Ca 0.27 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1u6g h ALA 198 Cb 0.37 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 1u6g h ALA 198 CO -0.35 -0.91 -0.25 -0.07 0.00 0.00 0.00 179.25 177.67 1u6g h LEU 199 N -0.66 -0.85 -0.34 0.00 3.38 -0.47 0.60 115.31 116.97 1u6g h LEU 199 Ca -0.02 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1u6g h LEU 199 Cb 0.60 0.42 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 1u6g h LEU 199 CO -0.06 -0.27 -0.45 1.23 0.09 0.00 0.00 178.44 178.98 1u6g h GLY 200 N -0.18 -0.66 2.00 0.83 0.00 -0.33 0.54 103.07 105.27 1u6g h GLY 200 Ca 0.19 0.57 -0.04 0.00 0.00 0.00 0.00 47.33 48.04 1u6g h GLY 200 CO -0.51 -0.18 -0.21 0.45 0.00 0.00 0.00 176.54 176.09 1u6g h HIS 201 N -0.38 0.00 0.08 5.60 3.86 -0.38 -3.16 115.15 120.77 1u6g h HIS 201 Ca 0.11 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1u6g h HIS 201 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1u6g h HIS 201 CO -0.61 0.21 -0.04 1.25 0.86 0.00 0.00 177.93 179.60 1u6g h LEU 202 N 0.00 -0.09 -0.10 2.43 5.85 0.24 -2.77 115.31 120.88 1u6g h LEU 202 Ca -0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1u6g h LEU 202 Cb 0.42 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1u6g h LEU 202 CO 0.03 -0.03 0.00 1.33 -0.34 0.00 0.00 178.44 179.43 1u6g n VAL 203 N -5.12 1.59 0.32 1.05 0.24 -0.80 -1.94 118.33 113.66 1u6g n VAL 203 Ca -0.08 0.42 0.13 0.00 -2.04 0.00 0.00 64.34 62.77 1u6g n VAL 203 Cb 0.09 -1.34 0.57 0.00 -1.47 0.00 0.00 33.84 31.68 1u6g n VAL 203 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1u6g h MET 204 N 0.00 0.00 0.00 7.34 4.05 -1.60 -1.73 114.93 122.98 1u6g h MET 204 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1u6g h MET 204 Cb 0.09 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1u6g h MET 204 CO 0.00 0.00 0.00 -1.13 0.23 0.00 0.00 176.91 176.01 1u6g n SER 205 N -2.35 0.42 0.00 1.39 3.41 -0.82 -4.95 113.62 110.71 1u6g n SER 205 Ca 0.01 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1u6g n SER 205 Cb 0.17 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1u6g n SER 205 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u6g n PHE 207 N 10.14 0.00 0.11 0.00 3.01 -1.26 -3.97 117.46 125.48 1u6g n PHE 207 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.51 1u6g n PHE 207 Cb 0.00 0.00 0.28 0.00 -0.01 0.00 0.00 39.48 39.75 1u6g n PHE 207 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1u6g n VAL 208 N 0.00 0.99 0.08 -4.37 0.31 -1.26 0.33 118.33 114.40 1u6g n VAL 208 Ca 0.00 0.66 0.00 0.00 -0.01 0.00 0.00 64.34 64.99 1u6g n VAL 208 Cb 0.00 -1.66 -0.04 0.00 -0.91 0.00 0.00 33.84 31.23 1u6g n VAL 208 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1u6g h ASP 209 N 0.00 0.00 0.45 4.52 3.58 -2.00 -3.38 116.42 119.59 1u6g h ASP 209 Ca 0.00 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 1u6g h ASP 209 Cb 0.37 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 1u6g h ASP 209 CO 0.00 0.60 -1.71 0.18 -2.88 0.00 0.00 179.24 175.43 1u6g n LEU 210 N -3.07 0.58 0.22 2.28 4.77 0.99 -3.88 117.00 118.88 1u6g n LEU 210 Ca -0.04 0.26 0.17 0.00 -0.03 0.00 0.00 56.01 56.37 1u6g n LEU 210 Cb 0.81 0.16 0.84 0.00 -2.33 0.00 0.00 43.42 42.91 1u6g n LEU 210 CO 0.42 0.22 1.15 0.40 -1.33 0.00 0.00 177.39 178.25 1u6g h ILE 211 N 0.00 0.44 0.13 -0.08 5.03 -1.62 -2.54 117.51 118.87 1u6g h ILE 211 Ca -0.23 0.00 -0.28 0.00 -0.12 0.00 0.00 64.86 64.23 1u6g h ILE 211 Cb 1.69 0.84 0.00 0.00 -3.03 0.00 0.00 36.82 36.32 1u6g h ILE 211 CO 0.04 0.00 -1.41 1.05 -0.68 0.00 0.00 178.15 177.15 1u6g h GLU 212 N 0.00 0.27 -0.80 2.37 9.09 -1.80 -2.73 114.58 120.97 1u6g h GLU 212 Ca 0.08 -0.45 0.11 0.00 0.05 0.00 0.00 59.36 59.14 1u6g h GLU 212 Cb 0.46 0.17 -0.08 0.00 -1.65 0.00 0.00 28.75 27.65 1u6g h GLU 212 CO -0.00 1.22 0.43 0.45 0.05 0.00 0.00 179.01 181.16 1u6g h HIS 213 N -0.26 0.77 0.84 2.06 3.86 -1.58 0.37 115.15 121.21 1u6g h HIS 213 Ca -0.30 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 58.90 1u6g h HIS 213 Cb 1.79 -0.23 0.01 0.00 1.06 0.00 0.00 27.41 30.04 1u6g h HIS 213 CO 0.13 0.27 -0.42 1.25 0.86 0.00 0.00 177.93 180.02 1u6g h LEU 214 N 0.69 -1.01 0.23 2.43 6.46 -1.58 0.83 115.31 123.36 1u6g h LEU 214 Ca 0.41 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 58.21 1u6g h LEU 214 Cb 0.45 0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.62 1u6g h LEU 214 CO -0.29 -0.70 -0.32 -0.07 -0.62 0.00 0.00 178.44 176.44 1u6g h LEU 215 N -1.15 -0.89 -0.57 2.25 3.38 -1.07 -1.19 115.31 116.07 1u6g h LEU 215 Ca -0.11 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.06 1u6g h LEU 215 Cb 0.89 0.32 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 1u6g h LEU 215 CO 0.18 -0.43 0.05 0.77 0.09 0.00 0.00 178.44 179.09 1u6g h SER 216 N -0.61 -0.16 -0.85 -0.43 4.64 -0.29 0.55 113.55 116.40 1u6g h SER 216 Ca 0.00 0.13 0.18 0.00 -0.47 0.00 0.00 61.79 61.63 1u6g h SER 216 Cb 0.59 0.21 -0.11 0.00 -0.31 0.00 0.00 62.40 62.79 1u6g h SER 216 CO -0.12 -0.06 0.39 -0.08 -0.87 0.00 0.00 176.83 176.09 1u6g h GLU 217 N 0.16 0.48 -0.11 4.77 4.22 -0.23 0.71 114.58 124.59 1u6g h GLU 217 Ca 0.30 -0.03 -0.11 0.00 0.08 0.00 0.00 59.36 59.60 1u6g h GLU 217 Cb 0.46 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1u6g h GLU 217 CO -0.45 0.32 -0.35 -0.07 -2.18 0.00 0.00 179.01 176.27 1u6g h LEU 218 N 0.49 0.50 -0.83 1.64 3.38 0.76 -1.84 115.31 119.42 1u6g h LEU 218 Ca 0.49 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1u6g h LEU 218 Cb 0.82 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1u6g h LEU 218 CO -0.44 1.02 0.38 0.28 0.09 0.00 0.00 178.44 179.77 1u6g h SER 219 N 0.01 1.10 0.77 -0.43 0.02 0.10 -3.21 113.55 111.90 1u6g h SER 219 Ca -0.01 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1u6g h SER 219 Cb 0.98 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 63.25 1u6g h SER 219 CO 0.08 0.94 -0.37 0.11 -1.14 0.00 0.00 176.83 176.44 1u6g h LYS 220 N 1.18 -1.00 -0.05 3.45 1.57 0.39 -2.87 116.57 119.24 1u6g h LYS 220 Ca 0.28 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1u6g h LYS 220 Cb 0.14 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1u6g h LYS 220 CO -0.03 -0.67 0.00 0.09 -0.57 0.00 0.00 179.45 178.27 1u6g n ASN 221 N -4.89 0.05 -4.26 0.86 4.13 -0.69 -3.99 115.26 106.47 1u6g n ASN 221 Ca -0.13 -0.19 -0.43 0.00 1.68 0.00 0.00 54.58 55.51 1u6g n ASN 221 Cb 0.41 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 1u6g n ASN 221 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1u6g n ASP 222 N -0.01 5.08 -3.02 6.41 8.00 -1.09 -4.63 116.55 127.29 1u6g n ASP 222 Ca 0.00 -3.00 -0.22 0.00 0.71 0.00 0.00 54.79 52.27 1u6g n ASP 222 Cb 0.01 -1.57 -0.03 0.00 -0.02 0.00 0.00 41.12 39.51 1u6g n ASP 222 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1u6g n SER 223 N 5.43 2.70 -0.36 -2.24 7.64 -1.26 -4.99 113.62 120.54 1u6g n SER 223 Ca 0.40 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1u6g n SER 223 Cb 0.41 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1u6g n SER 223 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1u6g n MET 224 N -0.01 -1.45 -2.53 1.43 1.56 -1.26 -4.88 117.12 109.98 1u6g n MET 224 Ca 0.28 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.28 1u6g n MET 224 Cb 0.54 -2.79 -0.03 0.00 2.15 0.00 0.00 33.22 33.10 1u6g n MET 224 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1u6g s SER 225 N -0.36 7.11 0.64 6.12 0.01 -1.26 -4.97 113.70 120.99 1u6g s SER 225 Ca 0.00 1.72 -0.11 0.00 1.31 0.00 0.00 55.95 58.86 1u6g s SER 225 Cb 0.00 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.57 1u6g s SER 225 CO 0.00 -0.55 -0.51 0.41 0.41 0.00 0.00 173.24 173.00 1u6g n THR 226 N 4.63 0.00 -1.94 1.44 -1.04 -1.26 -4.62 114.28 111.49 1u6g n THR 226 Ca 0.10 -0.33 -0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1u6g n THR 226 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1u6g n THR 226 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1u6g n THR 227 N -1.62 -5.57 -1.53 12.58 -1.04 -1.26 -4.85 114.28 110.98 1u6g n THR 227 Ca -0.01 0.63 -0.13 0.00 -2.04 0.00 0.00 64.05 62.50 1u6g n THR 227 Cb 0.37 -5.07 -0.10 0.00 -1.82 0.00 0.00 70.33 63.71 1u6g n THR 227 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1u6g n ARG 228 N 0.19 0.25 0.00 -2.82 1.85 -1.26 -4.27 116.66 110.60 1u6g n ARG 228 Ca 0.00 -1.21 0.00 0.00 -1.00 0.00 0.00 57.85 55.64 1u6g n ARG 228 Cb 0.02 -3.55 0.00 0.00 -1.05 0.00 0.00 32.46 27.88 1u6g n ARG 228 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1u6g n THR 229 N 8.57 0.00 0.33 8.89 -1.04 -1.26 -4.54 114.28 125.22 1u6g n THR 229 Ca 0.42 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.55 1u6g n THR 229 Cb 0.44 -1.18 0.67 0.00 -1.82 0.00 0.00 70.33 68.44 1u6g n THR 229 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1u6g h TYR 230 N 0.00 0.00 0.00 -1.42 0.05 -1.89 -0.15 116.97 113.56 1u6g h TYR 230 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1u6g h TYR 230 Cb 0.79 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.53 1u6g h TYR 230 CO 0.00 0.00 0.00 -0.89 -1.05 0.00 0.00 178.16 176.22 1u6g n ILE 231 N -2.78 0.00 -0.24 -2.88 2.08 -1.26 -1.96 119.36 112.32 1u6g n ILE 231 Ca -0.02 1.18 0.02 0.00 0.56 0.00 0.00 62.75 64.50 1u6g n ILE 231 Cb 0.47 -2.18 0.11 0.00 -0.75 0.00 0.00 39.64 37.29 1u6g n ILE 231 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1u6g h GLN 232 N 0.00 0.04 -0.93 0.38 4.20 -1.31 0.20 115.11 117.68 1u6g h GLN 232 Ca 0.00 -0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.92 1u6g h GLN 232 Cb 0.00 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.70 1u6g h GLN 232 CO 0.00 0.02 0.61 0.00 -0.67 0.00 0.00 178.83 178.79 1u6g h ILE 234 N 0.43 0.76 -0.66 0.00 1.08 0.05 -2.48 117.51 116.69 1u6g h ILE 234 Ca 0.49 -0.68 0.12 0.00 -0.39 0.00 0.00 64.86 64.40 1u6g h ILE 234 Cb 1.19 1.11 -0.09 0.00 -3.07 0.00 0.00 36.82 35.97 1u6g h ILE 234 CO -0.20 0.13 0.22 0.00 -0.69 0.00 0.00 178.15 177.61 1u6g h ALA 235 N -0.16 0.87 -0.33 1.87 0.00 -0.49 -1.85 119.26 119.17 1u6g h ALA 235 Ca -0.04 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1u6g h ALA 235 Cb 0.49 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1u6g h ALA 235 CO 0.06 -0.24 -0.25 0.00 0.00 0.00 0.00 179.25 178.82 1u6g h ALA 236 N 1.49 -0.08 -0.77 0.00 0.00 0.21 -1.50 119.26 118.61 1u6g h ALA 236 Ca 0.35 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 1u6g h ALA 236 Cb 0.51 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1u6g h ALA 236 CO -0.38 -0.65 0.35 0.82 0.00 0.00 0.00 179.25 179.39 1u6g h ILE 237 N -0.22 1.25 -0.64 0.00 2.04 -0.94 -2.87 117.51 116.13 1u6g h ILE 237 Ca 0.16 -0.72 0.13 0.00 1.00 0.00 0.00 64.86 65.43 1u6g h ILE 237 Cb 0.48 0.28 -0.10 0.00 -0.74 0.00 0.00 36.82 36.73 1u6g h ILE 237 CO -0.45 0.30 0.05 0.28 0.00 0.00 0.00 178.15 178.33 1u6g h SER 238 N 1.10 -0.19 -0.39 1.72 0.02 -0.48 1.87 113.55 117.19 1u6g h SER 238 Ca 0.26 0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.30 1u6g h SER 238 Cb 0.15 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1u6g h SER 238 CO -0.03 -0.09 -0.00 0.03 -1.14 0.00 0.00 176.83 175.60 1u6g h ARG 239 N 0.16 0.70 0.30 3.45 3.08 -1.25 -0.35 114.38 120.46 1u6g h ARG 239 Ca 0.34 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1u6g h ARG 239 Cb 0.56 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1u6g h ARG 239 CO -0.51 0.79 -0.14 1.96 -1.07 0.00 0.00 179.97 181.00 1u6g h GLN 240 N 0.53 -0.39 0.00 0.04 1.08 -1.21 -3.42 115.11 111.74 1u6g h GLN 240 Ca 0.11 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1u6g h GLN 240 Cb 0.48 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1u6g h GLN 240 CO 0.02 -0.14 0.00 0.00 -0.95 0.00 0.00 178.83 177.76 1u6g n ALA 241 N -2.68 -0.01 -0.32 3.87 0.00 0.63 -4.87 120.51 117.11 1u6g n ALA 241 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1u6g n ALA 241 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1u6g n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6g n GLY 242 N 1.71 1.74 0.45 0.00 0.00 -0.14 -3.96 105.19 104.99 1u6g n GLY 242 Ca 0.00 0.26 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 1u6g n GLY 242 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1u6g h HIS 243 N 0.00 -1.29 0.00 1.61 3.86 -1.85 -1.65 115.15 115.82 1u6g h HIS 243 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1u6g h HIS 243 Cb 0.00 0.51 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1u6g h HIS 243 CO 0.00 -0.59 0.01 0.54 0.86 0.00 0.00 177.93 178.75 1u6g n ARG 244 N -5.18 0.00 -0.02 2.45 1.74 -1.25 0.24 116.66 114.64 1u6g n ARG 244 Ca -0.10 0.04 0.01 0.00 -0.77 0.00 0.00 57.85 57.03 1u6g n ARG 244 Cb 0.40 -1.51 0.01 0.00 -1.02 0.00 0.00 32.46 30.35 1u6g n ARG 244 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1u6g n ILE 245 N -0.97 0.74 0.64 0.55 3.06 -0.68 -4.68 119.36 118.01 1u6g n ILE 245 Ca 0.00 -0.77 0.13 0.00 -2.50 0.00 0.00 62.75 59.61 1u6g n ILE 245 Cb 0.01 0.59 0.40 0.00 0.54 0.00 0.00 39.64 41.18 1u6g n ILE 245 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1u6g n GLY 246 N -0.40 -1.69 1.45 4.50 0.00 0.14 -2.99 105.19 106.20 1u6g n GLY 246 Ca 0.01 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1u6g n GLY 246 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1u6g n GLU 247 N -2.23 3.59 -3.40 1.61 0.28 -1.26 -4.72 120.64 114.50 1u6g n GLU 247 Ca 0.05 -3.02 -0.21 0.00 -0.16 0.00 0.00 57.16 53.82 1u6g n GLU 247 Cb 0.43 -2.05 -0.09 0.00 1.43 0.00 0.00 31.44 31.15 1u6g n GLU 247 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1u6g s TYR 248 N -2.89 -0.03 0.00 -1.84 1.51 -1.16 -4.99 117.35 107.95 1u6g s TYR 248 Ca 0.49 -0.93 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1u6g s TYR 248 Cb 0.39 -0.57 0.00 0.00 -0.11 0.00 0.00 41.96 41.67 1u6g s TYR 248 CO 0.11 -0.92 0.00 1.47 -1.11 0.00 0.00 175.55 175.10 1u6g n LEU 249 N 4.41 0.00 -0.32 -1.29 -0.00 -1.26 -4.77 117.00 113.76 1u6g n LEU 249 Ca 0.08 0.00 0.21 0.00 -0.00 0.00 0.00 56.01 56.31 1u6g n LEU 249 Cb 0.43 0.00 0.43 0.00 -0.00 0.00 0.00 43.42 44.28 1u6g n LEU 249 CO 0.08 0.00 1.04 -0.33 -0.00 0.00 0.00 177.39 178.19 1u6g h GLU 250 N 0.00 0.23 0.08 1.47 3.07 -1.96 0.94 114.58 118.42 1u6g h GLU 250 Ca 0.00 -0.01 -0.28 0.00 -0.50 0.00 0.00 59.36 58.57 1u6g h GLU 250 Cb 0.00 -0.05 0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1u6g h GLU 250 CO 0.00 0.16 -1.16 0.87 -1.40 0.00 0.00 179.01 177.47 1u6g h LYS 251 N 0.24 0.54 0.00 2.33 1.57 -2.01 -3.38 116.57 115.87 1u6g h LYS 251 Ca 0.69 -0.70 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1u6g h LYS 251 Cb 1.55 0.22 0.00 0.00 0.08 0.00 0.00 32.23 34.09 1u6g h LYS 251 CO -0.66 1.30 0.00 -0.89 -0.57 0.00 0.00 179.45 178.63 1u6g n ILE 252 N -3.75 0.00 -0.08 1.86 2.08 0.31 -2.61 119.36 117.17 1u6g n ILE 252 Ca -0.11 0.81 -0.02 0.00 0.56 0.00 0.00 62.75 63.99 1u6g n ILE 252 Cb 0.95 -1.65 -0.02 0.00 -0.75 0.00 0.00 39.64 38.17 1u6g n ILE 252 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1u6g n ILE 253 N -0.41 -0.12 0.21 1.39 -0.00 -0.47 -0.36 119.36 119.59 1u6g n ILE 253 Ca 0.00 0.46 -0.15 0.00 -0.00 0.00 0.00 62.75 63.06 1u6g n ILE 253 Cb 0.00 -0.57 -0.08 0.00 -0.00 0.00 0.00 39.64 38.99 1u6g n ILE 253 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 1u6g h PRO 254 N 0.00 -0.45 -0.75 0.38 0.13 -1.73 -2.25 132.00 127.33 1u6g h PRO 254 Ca 0.03 0.03 0.14 0.00 -0.87 0.00 0.00 66.00 65.33 1u6g h PRO 254 Cb 0.08 0.10 -0.14 0.00 0.13 0.00 0.00 31.00 31.17 1u6g h PRO 254 CO -0.17 -0.30 -0.24 -0.07 -0.23 0.00 0.00 178.00 176.99 1u6g h LEU 255 N -0.47 -0.86 0.16 1.56 3.38 -0.44 0.15 115.31 118.79 1u6g h LEU 255 Ca -0.04 0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1u6g h LEU 255 Cb 0.37 0.52 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1u6g h LEU 255 CO 0.07 -0.27 -0.25 0.58 0.09 0.00 0.00 178.44 178.66 1u6g h VAL 256 N -0.03 0.00 -0.44 1.22 2.07 -1.20 -2.60 116.25 115.26 1u6g h VAL 256 Ca 0.34 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.91 1u6g h VAL 256 Cb 0.57 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.25 1u6g h VAL 256 CO -0.79 0.00 -0.56 0.58 0.02 0.00 0.00 177.57 176.83 1u6g h VAL 257 N -0.43 0.00 -1.24 2.57 2.07 -0.68 0.42 116.25 118.97 1u6g h VAL 257 Ca -0.02 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.94 1u6g h VAL 257 Cb 0.39 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.04 1u6g h VAL 257 CO -0.08 0.00 0.79 0.29 0.02 0.00 0.00 177.57 178.59 1u6g n LYS 258 N -5.37 -0.04 0.01 1.57 5.02 0.43 0.21 118.16 120.00 1u6g n LYS 258 Ca -0.03 1.17 -0.06 0.00 -2.02 0.00 0.00 58.31 57.36 1u6g n LYS 258 Cb 0.34 -2.28 -0.12 0.00 -0.02 0.00 0.00 35.03 32.95 1u6g n LYS 258 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1u6g h PHE 259 N 0.00 0.00 -0.53 2.13 0.05 0.08 -3.35 116.94 115.32 1u6g h PHE 259 Ca 0.81 0.00 0.06 0.00 3.82 0.00 0.00 57.97 62.66 1u6g h PHE 259 Cb 2.57 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 40.49 1u6g h PHE 259 CO -0.01 0.90 0.35 0.00 -0.18 0.00 0.00 178.31 179.38 1u6g h ASN 261 N 0.46 -0.41 -0.05 0.00 -1.24 -1.59 -3.42 115.58 109.32 1u6g h ASN 261 Ca 0.23 0.06 -0.52 0.00 0.71 0.00 0.00 56.30 56.78 1u6g h ASN 261 Cb 0.33 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 1u6g h ASN 261 CO -0.06 -0.20 0.84 0.52 -1.29 0.00 0.00 177.43 177.23 1u6g n VAL 262 N -5.27 0.00 -1.67 2.57 0.31 -0.74 -4.68 118.33 108.85 1u6g n VAL 262 Ca -0.06 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.94 1u6g n VAL 262 Cb 0.19 -0.33 -0.07 0.00 -0.91 0.00 0.00 33.84 32.73 1u6g n VAL 262 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1u6g n ASP 263 N 4.77 2.70 -4.42 4.52 10.43 -1.26 -4.89 116.55 128.40 1u6g n ASP 263 Ca 0.35 -2.67 -0.21 0.00 2.57 0.00 0.00 54.79 54.83 1u6g n ASP 263 Cb -0.03 -1.48 -0.10 0.00 1.84 0.00 0.00 41.12 41.36 1u6g n ASP 263 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1u6g s ASP 264 N 6.13 3.00 0.00 -2.24 2.15 -1.26 -5.05 116.67 119.40 1u6g s ASP 264 Ca 0.66 -1.08 0.28 0.00 0.43 0.00 0.00 52.55 52.83 1u6g s ASP 264 Cb 0.05 -0.21 0.99 0.00 -0.30 0.00 0.00 42.92 43.45 1u6g s ASP 264 CO 0.15 -0.16 1.71 0.47 -0.17 0.00 0.00 175.17 177.17 1u6g n ASP 265 N -0.53 1.03 -1.70 -0.34 8.00 -1.26 -2.94 116.55 118.80 1u6g n ASP 265 Ca -0.06 -1.04 0.08 0.00 0.71 0.00 0.00 54.79 54.48 1u6g n ASP 265 Cb 0.61 0.05 0.38 0.00 -0.02 0.00 0.00 41.12 42.14 1u6g n ASP 265 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1u6g n GLU 266 N -0.45 4.37 0.19 -1.24 1.02 -1.26 -4.08 120.64 119.18 1u6g n GLU 266 Ca 0.15 -3.05 0.14 0.00 -0.02 0.00 0.00 57.16 54.38 1u6g n GLU 266 Cb 0.33 -2.11 0.58 0.00 -0.02 0.00 0.00 31.44 30.21 1u6g n GLU 266 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1u6g h LEU 267 N 3.83 0.00 -0.99 -4.62 3.38 -1.87 -2.56 115.31 112.47 1u6g h LEU 267 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1u6g h LEU 267 Cb 1.77 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.45 1u6g h LEU 267 CO 0.39 0.00 0.63 0.08 0.09 0.00 0.00 178.44 179.63 1u6g h ARG 268 N 0.00 1.10 -0.90 1.13 0.11 -1.84 -2.08 114.38 111.90 1u6g h ARG 268 Ca 0.00 -0.07 0.17 0.00 0.10 0.00 0.00 59.98 60.18 1u6g h ARG 268 Cb 0.40 -0.25 -0.07 0.00 1.11 0.00 0.00 29.97 31.16 1u6g h ARG 268 CO 0.00 0.73 0.58 0.93 0.10 0.00 0.00 179.97 182.31 1u6g h GLU 269 N 1.13 0.56 -0.56 0.08 5.08 -1.79 0.61 114.58 119.69 1u6g h GLU 269 Ca 0.43 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.66 1u6g h GLU 269 Cb 0.20 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1u6g h GLU 269 CO -0.18 0.37 -0.03 1.88 -1.00 0.00 0.00 179.01 180.05 1u6g h TYR 270 N 0.58 1.07 -0.01 4.33 -1.99 -1.57 0.79 116.97 120.18 1u6g h TYR 270 Ca 0.46 -0.19 -0.00 0.00 2.00 0.00 0.00 58.73 61.01 1u6g h TYR 270 Cb 0.91 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 39.36 1u6g h TYR 270 CO -0.00 0.97 -0.00 0.00 -0.00 0.00 0.00 178.16 179.13 1u6g h ILE 272 N -0.32 0.35 0.66 0.00 1.08 0.10 1.05 117.51 120.44 1u6g h ILE 272 Ca 0.00 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.32 1u6g h ILE 272 Cb 0.33 -0.04 0.01 0.00 -3.07 0.00 0.00 36.82 34.05 1u6g h ILE 272 CO 0.00 0.07 -0.32 1.56 -0.69 0.00 0.00 178.15 178.77 1u6g h GLN 273 N 0.36 -0.85 -0.98 2.37 4.20 0.20 0.30 115.11 120.71 1u6g h GLN 273 Ca 0.71 0.06 0.18 0.00 0.06 0.00 0.00 58.65 59.65 1u6g h GLN 273 Cb 1.66 0.19 -0.09 0.00 0.30 0.00 0.00 27.48 29.54 1u6g h GLN 273 CO -0.53 -0.56 0.61 0.00 -0.67 0.00 0.00 178.83 177.69 1u6g h ALA 274 N -1.20 1.77 0.62 3.87 0.00 0.30 1.77 119.26 126.38 1u6g h ALA 274 Ca -0.09 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1u6g h ALA 274 Cb 0.68 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1u6g h ALA 274 CO 0.15 -0.09 -0.30 0.35 0.00 0.00 0.00 179.25 179.36 1u6g h PHE 275 N 0.73 -0.77 -0.49 0.00 -0.00 0.10 0.43 116.94 116.93 1u6g h PHE 275 Ca 0.53 -0.02 0.04 0.00 -0.00 0.00 0.00 57.97 58.53 1u6g h PHE 275 Cb 0.87 0.26 -0.03 0.00 -0.00 0.00 0.00 35.95 37.05 1u6g h PHE 275 CO -0.00 -0.48 0.33 0.93 -0.00 0.00 0.00 178.31 179.08 1u6g h GLU 276 N -1.03 0.48 0.68 1.11 3.07 -0.25 -1.75 114.58 116.89 1u6g h GLU 276 Ca -0.09 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.71 1u6g h GLU 276 Cb 0.64 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1u6g h GLU 276 CO 0.14 0.32 -0.32 0.77 -1.40 0.00 0.00 179.01 178.51 1u6g h SER 277 N 0.49 -0.77 -0.34 1.42 0.02 0.28 -3.27 113.55 111.39 1u6g h SER 277 Ca 0.20 -0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.95 1u6g h SER 277 Cb 0.19 0.20 -0.10 0.00 0.14 0.00 0.00 62.40 62.83 1u6g h SER 277 CO -0.05 -0.44 0.26 0.49 -1.14 0.00 0.00 176.83 175.94 1u6g n PHE 278 N -5.42 1.06 0.00 3.45 3.01 0.15 -1.93 117.46 117.77 1u6g n PHE 278 Ca -0.13 -1.29 0.00 0.00 1.01 0.00 0.00 57.45 57.04 1u6g n PHE 278 Cb 0.38 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 1u6g n PHE 278 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1u6g n VAL 279 N 0.29 0.00 0.00 -4.37 3.14 -0.73 -4.59 118.33 112.07 1u6g n VAL 279 Ca 0.21 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 1u6g n VAL 279 Cb 0.74 0.51 0.00 0.00 -1.06 0.00 0.00 33.84 34.02 1u6g n VAL 279 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1u6g n ARG 280 N -0.71 0.53 -2.56 1.45 3.00 -1.20 -4.87 116.66 112.30 1u6g n ARG 280 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 1u6g n ARG 280 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 32.46 31.49 1u6g n ARG 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1u6g n ARG 281 N -2.36 3.26 0.32 -0.14 1.74 -0.81 -4.72 116.66 113.95 1u6g n ARG 281 Ca 0.00 -3.41 -0.13 0.00 -0.77 0.00 0.00 57.85 53.54 1u6g n ARG 281 Cb 0.47 -3.24 -0.06 0.00 -1.02 0.00 0.00 32.46 28.61 1u6g n ARG 281 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u6g n PRO 283 N -4.45 0.00 -3.54 0.00 -0.02 -1.26 -4.15 135.00 121.58 1u6g n PRO 283 Ca -0.10 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.98 1u6g n PRO 283 Cb 0.33 -0.98 -0.05 0.00 -0.02 0.00 0.00 33.50 32.78 1u6g n PRO 283 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1u6g s LYS 284 N -1.38 3.46 0.00 -0.52 3.01 -1.15 -4.98 119.74 118.18 1u6g s LYS 284 Ca 0.00 -3.09 0.00 0.00 -1.01 0.00 0.00 55.97 51.87 1u6g s LYS 284 Cb 0.00 -4.13 0.00 0.00 -1.01 0.00 0.00 37.83 32.69 1u6g s LYS 284 CO 0.00 -1.25 0.07 -0.85 0.51 0.00 0.00 175.35 173.83 1u6g n GLU 285 N 2.73 0.00 0.00 1.68 -0.00 -1.26 -4.53 120.64 119.26 1u6g n GLU 285 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.36 1u6g n GLU 285 Cb 0.39 -1.08 0.00 0.00 -0.00 0.00 0.00 31.44 30.74 1u6g n GLU 285 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1u6g n VAL 286 N -0.51 0.31 -0.24 3.84 0.31 -1.26 -4.44 118.33 116.34 1u6g n VAL 286 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1u6g n VAL 286 Cb 0.00 -0.60 -0.06 0.00 -0.91 0.00 0.00 33.84 32.27 1u6g n VAL 286 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1u6g n TYR 287 N 0.72 -0.25 0.15 3.52 0.53 -1.26 -2.35 117.16 118.22 1u6g n TYR 287 Ca 0.00 0.72 -0.14 0.00 -1.02 0.00 0.00 57.90 57.47 1u6g n TYR 287 Cb 0.17 -0.52 -0.06 0.00 -1.03 0.00 0.00 39.34 37.90 1u6g n TYR 287 CO 0.00 0.00 0.00 -1.35 -1.02 0.00 0.00 176.86 174.49 1u6g h PRO 288 N 0.00 -0.54 -1.22 -0.72 0.11 -2.00 0.81 132.00 128.43 1u6g h PRO 288 Ca 0.09 0.04 0.42 0.00 0.11 0.00 0.00 66.00 66.66 1u6g h PRO 288 Cb 0.24 0.12 -0.14 0.00 0.11 0.00 0.00 31.00 31.33 1u6g h PRO 288 CO -0.54 -0.36 0.76 0.45 -0.21 0.00 0.00 178.00 178.10 1u6g h HIS 289 N -0.56 0.63 0.08 0.65 3.86 -1.83 -0.33 115.15 117.65 1u6g h HIS 289 Ca 0.01 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1u6g h HIS 289 Cb 0.55 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1u6g h HIS 289 CO -0.23 -0.25 -0.04 0.28 0.86 0.00 0.00 177.93 178.56 1u6g h VAL 290 N 0.10 0.00 -0.91 2.45 2.07 -1.13 -3.14 116.25 115.69 1u6g h VAL 290 Ca 0.81 -0.45 0.11 0.00 0.82 0.00 0.00 66.70 67.99 1u6g h VAL 290 Cb 2.40 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 32.04 1u6g h VAL 290 CO -0.50 0.00 -0.46 -1.20 0.02 0.00 0.00 177.57 175.43 1u6g n SER 291 N -3.56 -0.80 -0.18 0.57 7.64 0.19 -0.66 113.62 116.82 1u6g n SER 291 Ca -0.01 1.61 -0.10 0.00 1.01 0.00 0.00 58.87 61.37 1u6g n SER 291 Cb 0.04 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 1u6g n SER 291 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1u6g h THR 292 N 0.00 0.07 0.26 0.44 2.02 -1.24 -1.47 112.91 112.98 1u6g h THR 292 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1u6g h THR 292 Cb 0.45 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1u6g h THR 292 CO -0.88 0.00 -0.25 0.40 0.37 0.00 0.00 175.52 175.16 1u6g h ILE 293 N -0.28 0.47 -0.22 3.11 2.04 -0.84 -2.17 117.51 119.62 1u6g h ILE 293 Ca 0.15 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1u6g h ILE 293 Cb 0.57 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1u6g h ILE 293 CO -0.66 0.00 -0.22 0.40 0.00 0.00 0.00 178.15 177.67 1u6g h ILE 294 N -0.54 0.00 -1.18 -0.67 2.04 -0.57 0.21 117.51 116.81 1u6g h ILE 294 Ca -0.01 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.19 1u6g h ILE 294 Cb 0.49 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.50 1u6g h ILE 294 CO -0.05 0.00 0.81 0.78 0.00 0.00 0.00 178.15 179.69 1u6g h ASN 295 N -0.11 0.19 0.42 1.72 2.35 -1.22 1.20 115.58 120.13 1u6g h ASN 295 Ca 0.04 0.05 -0.30 0.00 -0.55 0.00 0.00 56.30 55.54 1u6g h ASN 295 Cb 0.21 0.02 0.02 0.00 0.05 0.00 0.00 38.32 38.62 1u6g h ASN 295 CO -0.27 0.01 -1.31 0.40 -1.65 0.00 0.00 177.43 174.62 1u6g h ILE 296 N 0.15 1.39 -0.24 2.81 1.08 -0.24 -3.24 117.51 119.22 1u6g h ILE 296 Ca 0.62 -2.83 0.00 0.00 -0.39 0.00 0.00 64.86 62.26 1u6g h ILE 296 Cb 2.08 2.92 0.00 0.00 -3.07 0.00 0.00 36.82 38.75 1u6g h ILE 296 CO -0.16 0.84 0.00 0.00 -0.69 0.00 0.00 178.15 178.14 1u6g h LEU 298 N 3.26 0.00 -3.12 0.00 7.12 0.13 -3.06 115.31 119.64 1u6g h LEU 298 Ca 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.92 1u6g h LEU 298 Cb 0.71 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 40.76 1u6g h LEU 298 CO 0.00 0.00 -0.58 0.29 -0.13 0.00 0.00 178.44 178.02 1u6g n LYS 299 N -2.67 1.75 0.00 1.25 5.02 -1.26 -4.66 118.16 117.59 1u6g n LYS 299 Ca 0.04 -3.34 0.03 0.00 -2.02 0.00 0.00 58.31 53.02 1u6g n LYS 299 Cb 0.41 -1.60 0.15 0.00 -0.02 0.00 0.00 35.03 33.98 1u6g n LYS 299 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1u6g n TYR 300 N -0.96 0.00 -1.78 2.13 9.36 -1.15 -4.83 117.16 119.94 1u6g n TYR 300 Ca 0.21 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 61.08 1u6g n TYR 300 Cb 0.76 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.53 1u6g n TYR 300 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1u6g s LEU 301 N -1.82 3.53 0.00 2.98 2.96 -1.26 -4.90 118.68 120.17 1u6g s LEU 301 Ca 0.08 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1u6g s LEU 301 Cb 0.03 -4.60 0.00 0.00 0.50 0.00 0.00 46.19 42.13 1u6g s LEU 301 CO 0.06 -1.87 0.00 0.41 -1.32 0.00 0.00 176.35 173.63 1u6g n THR 302 N -2.02 0.00 0.00 3.68 -1.04 -1.26 -5.13 114.28 108.50 1u6g n THR 302 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1u6g n THR 302 Cb 0.50 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 1u6g n THR 302 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u6g n TYR 303 N -0.27 0.00 0.00 -1.42 4.11 -1.26 -5.23 117.16 113.09 1u6g n TYR 303 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1u6g n TYR 303 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1u6g n TYR 303 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1u6g n ASP 344 N 0.00 0.00 0.00 9.48 5.75 -1.26 -5.09 116.55 125.43 1u6g n ASP 344 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1u6g n ASP 344 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1u6g n ASP 344 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1u6g n MET 345 N 0.00 0.00 0.00 0.11 1.56 -1.26 -5.08 117.12 112.45 1u6g n MET 345 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1u6g n MET 345 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1u6g n MET 345 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1u6g n SER 346 N -0.05 0.00 0.00 6.12 3.41 -1.26 -4.09 113.62 117.75 1u6g n SER 346 Ca 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1u6g n SER 346 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1u6g n SER 346 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1u6g n TRP 347 N -1.00 0.00 0.22 7.33 4.27 -1.26 -0.80 117.44 126.20 1u6g n TRP 347 Ca 0.00 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.73 1u6g n TRP 347 Cb 0.00 -0.00 0.62 0.00 -1.36 0.00 0.00 31.31 30.57 1u6g n TRP 347 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1u6g h LYS 348 N 0.00 0.00 0.20 -2.67 1.57 -1.94 0.30 116.57 114.04 1u6g h LYS 348 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1u6g h LYS 348 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1u6g h LYS 348 CO 0.00 0.00 -0.10 -0.39 -0.57 0.00 0.00 179.45 178.39 1u6g h VAL 349 N 0.00 0.00 -0.90 0.50 -1.51 -1.27 -2.51 116.25 110.56 1u6g h VAL 349 Ca 0.00 -0.58 0.24 0.00 -1.23 0.00 0.00 66.70 65.13 1u6g h VAL 349 Cb 0.39 0.00 -0.14 0.00 -2.13 0.00 0.00 31.29 29.41 1u6g h VAL 349 CO 0.00 0.00 0.31 0.03 -1.23 0.00 0.00 177.57 176.68 1u6g h ARG 350 N -0.85 0.26 0.07 5.19 -0.00 -0.72 0.65 114.38 118.97 1u6g h ARG 350 Ca -0.03 -0.02 0.03 0.00 -0.50 0.00 0.00 59.98 59.46 1u6g h ARG 350 Cb 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 29.97 30.08 1u6g h ARG 350 CO 0.05 0.17 -0.35 -0.09 0.00 0.00 0.00 179.97 179.74 1u6g h ARG 351 N 0.27 -0.53 -0.57 0.04 1.12 -0.69 0.12 114.38 114.14 1u6g h ARG 351 Ca 0.58 0.04 0.07 0.00 -1.11 0.00 0.00 59.98 59.55 1u6g h ARG 351 Cb 1.17 0.12 -0.06 0.00 -0.01 0.00 0.00 29.97 31.19 1u6g h ARG 351 CO -0.62 -0.35 0.26 0.00 -3.11 0.00 0.00 179.97 176.15 1u6g h ALA 352 N 0.08 0.74 0.54 2.80 0.00 -0.43 0.65 119.26 123.64 1u6g h ALA 352 Ca 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1u6g h ALA 352 Cb 0.60 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1u6g h ALA 352 CO -0.24 -0.11 -0.33 0.00 0.00 0.00 0.00 179.25 178.57 1u6g h ALA 353 N 1.34 -0.83 -0.29 0.00 0.00 -1.00 0.58 119.26 119.06 1u6g h ALA 353 Ca 0.27 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1u6g h ALA 353 Cb 0.24 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 1u6g h ALA 353 CO -0.22 -0.98 -0.26 0.00 0.00 0.00 0.00 179.25 177.79 1u6g h ALA 354 N -0.42 -0.12 -1.00 0.00 0.00 -0.17 0.18 119.26 117.73 1u6g h ALA 354 Ca -0.06 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1u6g h ALA 354 Cb 0.67 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1u6g h ALA 354 CO 0.06 -0.67 0.64 0.87 0.00 0.00 0.00 179.25 180.15 1u6g h LYS 355 N -0.24 1.00 0.11 0.00 1.57 0.71 -0.65 116.57 119.08 1u6g h LYS 355 Ca 0.15 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1u6g h LYS 355 Cb 0.48 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1u6g h LYS 355 CO -0.43 0.66 -0.06 0.00 -0.57 0.00 0.00 179.45 179.06 1u6g h LEU 357 N -0.68 0.58 -0.22 0.00 3.38 -0.43 0.64 115.31 118.58 1u6g h LEU 357 Ca -0.02 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1u6g h LEU 357 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1u6g h LEU 357 CO 0.03 0.14 0.13 -0.78 0.09 0.00 0.00 178.44 178.05 1u6g h ASP 358 N 0.53 0.26 0.13 -0.43 3.58 -0.94 -2.51 116.42 117.04 1u6g h ASP 358 Ca 0.60 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.99 1u6g h ASP 358 Cb 1.27 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 1u6g h ASP 358 CO -0.36 0.24 -0.08 0.00 -2.88 0.00 0.00 179.24 176.16 1u6g h ALA 359 N 1.04 -0.94 -0.02 -0.78 0.00 0.12 -2.48 119.26 116.18 1u6g h ALA 359 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1u6g h ALA 359 Cb 0.02 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1u6g h ALA 359 CO -0.01 -0.94 -0.01 0.28 0.00 0.00 0.00 179.25 178.56 1u6g n VAL 360 N -2.70 -0.02 -0.16 0.00 0.31 -0.17 0.48 118.33 116.07 1u6g n VAL 360 Ca -0.02 1.02 0.29 0.00 -0.01 0.00 0.00 64.34 65.61 1u6g n VAL 360 Cb 0.08 -1.35 0.67 0.00 -0.91 0.00 0.00 33.84 32.33 1u6g n VAL 360 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1u6g h VAL 361 N 0.00 0.26 -0.01 2.52 2.07 -1.48 -1.15 116.25 118.46 1u6g h VAL 361 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1u6g h VAL 361 Cb 0.01 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1u6g h VAL 361 CO -0.02 0.00 -0.02 -1.20 0.02 0.00 0.00 177.57 176.35 1u6g n SER 362 N -3.73 0.60 0.00 0.57 7.64 0.18 -4.45 113.62 114.43 1u6g n SER 362 Ca 0.19 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.98 1u6g n SER 362 Cb 1.13 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 1u6g n SER 362 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1u6g n THR 363 N -0.59 0.00 -2.35 0.44 -2.24 -0.52 -4.95 114.28 104.07 1u6g n THR 363 Ca 0.21 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.61 1u6g n THR 363 Cb 0.22 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 1u6g n THR 363 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1u6g s ARG 364 N -1.34 3.08 -0.09 -0.78 3.00 -0.73 -4.65 118.95 117.44 1u6g s ARG 364 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 55.73 55.28 1u6g s ARG 364 Cb 0.00 -4.81 -0.27 0.00 0.00 0.00 0.00 34.95 29.87 1u6g s ARG 364 CO 0.00 -2.55 0.49 1.25 0.00 0.00 0.00 175.30 174.48 1u6g h HIS 365 N 11.11 0.48 0.00 -0.53 -0.00 -1.87 -3.28 115.15 121.06 1u6g h HIS 365 Ca -0.03 -0.35 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 1u6g h HIS 365 Cb 1.05 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 1u6g h HIS 365 CO 1.18 1.66 0.00 -0.85 -0.00 0.00 0.00 177.93 179.93 1u6g n GLU 366 N -3.46 0.00 -0.15 5.26 0.00 -1.26 -0.07 120.64 120.96 1u6g n GLU 366 Ca -0.28 0.00 0.05 0.00 0.00 0.00 0.00 57.16 56.93 1u6g n GLU 366 Cb 1.05 -1.49 0.13 0.00 0.00 0.00 0.00 31.44 31.14 1u6g n GLU 366 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u6g n MET 367 N -0.85 2.85 -0.05 3.44 2.81 -1.24 -4.80 117.12 119.27 1u6g n MET 367 Ca 0.00 -1.97 -0.02 0.00 -1.81 0.00 0.00 57.70 53.91 1u6g n MET 367 Cb 0.00 -1.23 -0.01 0.00 -0.71 0.00 0.00 33.22 31.26 1u6g n MET 367 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1u6g h LEU 368 N 1.78 -0.29 -0.50 4.03 3.38 -0.70 0.13 115.31 123.13 1u6g h LEU 368 Ca 0.00 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1u6g h LEU 368 Cb 0.70 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 1u6g h LEU 368 CO 0.00 -0.03 -0.36 1.55 0.09 0.00 0.00 178.44 179.68 1u6g h PRO 369 N -0.01 -0.08 -1.21 1.13 0.13 -1.87 0.63 132.00 130.72 1u6g h PRO 369 Ca 0.02 0.01 0.41 0.00 -0.87 0.00 0.00 66.00 65.57 1u6g h PRO 369 Cb 0.06 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 31.07 1u6g h PRO 369 CO -0.12 -0.06 0.75 0.93 -0.23 0.00 0.00 178.00 179.27 1u6g h GLU 370 N -0.09 0.11 0.65 0.86 5.08 -1.62 0.30 114.58 119.87 1u6g h GLU 370 Ca 0.08 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1u6g h GLU 370 Cb 0.30 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1u6g h GLU 370 CO -0.52 0.07 -0.31 0.74 -1.00 0.00 0.00 179.01 178.00 1u6g h PHE 371 N 0.11 -0.80 0.00 4.33 0.05 0.29 -2.80 116.94 118.12 1u6g h PHE 371 Ca 0.81 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.58 1u6g h PHE 371 Cb 2.36 0.27 0.00 0.00 2.00 0.00 0.00 35.95 40.58 1u6g h PHE 371 CO -0.01 -0.47 0.00 0.66 -0.18 0.00 0.00 178.31 178.31 1u6g n TYR 372 N -5.37 0.00 -0.40 -0.55 4.02 -0.07 -3.24 117.16 111.56 1u6g n TYR 372 Ca -0.12 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.80 1u6g n TYR 372 Cb 0.36 -0.46 0.04 0.00 -0.02 0.00 0.00 39.34 39.26 1u6g n TYR 372 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1u6g n LYS 373 N -1.46 2.30 -3.26 -0.72 5.02 -0.26 -4.67 118.16 115.11 1u6g n LYS 373 Ca 0.01 -1.75 -0.05 0.00 -2.02 0.00 0.00 58.31 54.51 1u6g n LYS 373 Cb 0.06 -1.11 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 1u6g n LYS 373 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1u6g s THR 374 N -1.47 -0.74 0.00 -0.18 -1.32 -1.07 -5.01 115.64 105.85 1u6g s THR 374 Ca 0.09 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1u6g s THR 374 Cb 0.08 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 1u6g s THR 374 CO 0.01 -0.18 0.00 0.52 -2.21 0.00 0.00 174.62 172.76 1u6g n VAL 375 N 5.38 0.00 -0.03 5.08 0.31 -1.26 -4.71 118.33 123.09 1u6g n VAL 375 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.19 1u6g n VAL 375 Cb 0.51 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.34 1u6g n VAL 375 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1u6g h SER 376 N 0.00 0.35 0.09 4.52 4.64 -1.89 9.13 113.55 130.38 1u6g h SER 376 Ca 0.00 -0.69 -0.00 0.00 -0.47 0.00 0.00 61.79 60.63 1u6g h SER 376 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1u6g h SER 376 CO 0.00 0.98 -0.05 -0.65 -0.87 0.00 0.00 176.83 176.25 1u6g h PRO 377 N -0.26 -0.12 -0.41 4.77 0.11 -1.83 0.26 132.00 134.51 1u6g h PRO 377 Ca -0.03 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 1u6g h PRO 377 Cb 0.99 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1u6g h PRO 377 CO 0.06 0.13 -0.06 0.00 -0.21 0.00 0.00 178.00 177.92 1u6g h ALA 378 N 0.51 1.12 -0.12 -0.75 0.00 -1.88 -2.97 119.26 115.17 1u6g h ALA 378 Ca -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1u6g h ALA 378 Cb 0.31 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1u6g h ALA 378 CO 0.02 0.56 -0.00 1.28 0.00 0.00 0.00 179.25 181.10 1u6g n LEU 379 N -4.20 3.05 -0.09 0.00 4.77 2.90 -3.22 117.00 120.21 1u6g n LEU 379 Ca 0.02 -3.07 -0.19 0.00 -0.03 0.00 0.00 56.01 52.74 1u6g n LEU 379 Cb 0.32 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 1u6g n LEU 379 CO 0.41 0.71 -1.04 -0.38 -1.33 0.00 0.00 177.39 175.76 1u6g n ILE 380 N -1.03 1.21 -0.30 -0.08 5.41 0.08 -3.88 119.36 120.77 1u6g n ILE 380 Ca 0.19 -0.17 0.11 0.00 1.00 0.00 0.00 62.75 63.88 1u6g n ILE 380 Cb 0.76 -1.87 0.34 0.00 -0.71 0.00 0.00 39.64 38.16 1u6g n ILE 380 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1u6g h SER 381 N -0.75 0.73 -0.02 4.38 0.02 -1.64 0.75 113.55 117.03 1u6g h SER 381 Ca -0.40 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1u6g h SER 381 Cb 1.29 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 1u6g h SER 381 CO -0.24 0.35 -0.18 -0.09 -1.14 0.00 0.00 176.83 175.53 1u6g h ARG 382 N 0.76 -0.28 -2.25 3.45 1.12 -1.72 -2.29 114.38 113.18 1u6g h ARG 382 Ca 0.48 0.02 -0.78 0.00 -1.11 0.00 0.00 59.98 58.59 1u6g h ARG 382 Cb 0.71 0.06 -0.24 0.00 -0.01 0.00 0.00 29.97 30.49 1u6g h ARG 382 CO -0.24 -0.18 1.22 1.19 -3.11 0.00 0.00 179.97 178.85 1u6g n PHE 383 N -5.31 2.73 -1.37 2.20 3.01 0.18 -4.70 117.46 114.20 1u6g n PHE 383 Ca -0.05 -2.53 -0.35 0.00 1.01 0.00 0.00 57.45 55.54 1u6g n PHE 383 Cb 0.23 -1.30 0.08 0.00 -0.01 0.00 0.00 39.48 38.47 1u6g n PHE 383 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1u6g n LYS 384 N 0.16 2.72 0.00 -1.08 3.00 -0.76 -4.85 118.16 117.36 1u6g n LYS 384 Ca 0.51 -3.33 0.00 0.00 -0.00 0.00 0.00 58.31 55.49 1u6g n LYS 384 Cb 0.27 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 33.01 1u6g n LYS 384 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1u6g n GLU 385 N -0.90 0.00 0.00 1.64 -0.00 -1.26 -4.95 120.64 115.17 1u6g n GLU 385 Ca 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.78 1u6g n GLU 385 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.10 1u6g n GLU 385 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1u6g n ARG 386 N -0.35 0.00 0.00 3.44 1.85 -1.26 -4.95 116.66 115.39 1u6g n ARG 386 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1u6g n ARG 386 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1u6g n ARG 386 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1u6g n GLU 387 N -0.60 0.00 0.00 2.89 2.13 -1.26 -5.02 120.64 118.78 1u6g n GLU 387 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1u6g n GLU 387 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1u6g n GLU 387 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1u6g n GLU 388 N -1.15 0.00 -0.14 5.31 -0.58 -1.26 -4.87 120.64 117.95 1u6g n GLU 388 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1u6g n GLU 388 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 1u6g n GLU 388 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1u6g h ASN 389 N 0.00 -1.19 -0.81 1.62 2.35 -2.00 0.74 115.58 116.30 1u6g h ASN 389 Ca 0.00 0.21 0.06 0.00 -0.55 0.00 0.00 56.30 56.01 1u6g h ASN 389 Cb 0.00 0.55 -0.06 0.00 0.05 0.00 0.00 38.32 38.86 1u6g h ASN 389 CO 0.00 -0.33 0.50 0.58 -1.65 0.00 0.00 177.43 176.53 1u6g h VAL 390 N -0.25 1.04 -0.28 2.81 2.07 -1.93 -1.04 116.25 118.67 1u6g h VAL 390 Ca 0.18 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1u6g h VAL 390 Cb 0.55 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 1u6g h VAL 390 CO -0.58 0.17 -0.13 0.50 0.02 0.00 0.00 177.57 177.55 1u6g h LYS 391 N 0.92 -0.09 -0.62 1.57 3.64 -1.29 -1.74 116.57 118.97 1u6g h LYS 391 Ca 0.35 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.86 1u6g h LYS 391 Cb 0.15 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.89 1u6g h LYS 391 CO -0.16 -0.06 0.10 0.00 -2.27 0.00 0.00 179.45 177.05 1u6g h ALA 392 N 1.14 0.71 0.00 5.00 0.00 0.28 -1.00 119.26 125.39 1u6g h ALA 392 Ca 0.15 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1u6g h ALA 392 Cb 0.31 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1u6g h ALA 392 CO -0.34 -0.34 -0.24 -0.44 0.00 0.00 0.00 179.25 177.89 1u6g h ASP 393 N 0.21 0.00 0.06 0.00 3.32 -0.73 -1.92 116.42 117.37 1u6g h ASP 393 Ca 0.33 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 1u6g h ASP 393 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1u6g h ASP 393 CO -0.46 0.24 -0.03 0.58 -1.72 0.00 0.00 179.24 177.86 1u6g h VAL 394 N 0.00 1.13 0.12 -1.35 2.07 -0.51 -1.72 116.25 115.99 1u6g h VAL 394 Ca -0.00 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.88 1u6g h VAL 394 Cb 0.47 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1u6g h VAL 394 CO 0.03 0.16 -0.23 -0.26 0.02 0.00 0.00 177.57 177.29 1u6g h PHE 395 N -0.38 -0.61 -0.83 1.57 -1.00 -1.22 -2.07 116.94 112.39 1u6g h PHE 395 Ca -0.01 0.01 0.20 0.00 2.81 0.00 0.00 57.97 60.98 1u6g h PHE 395 Cb 0.33 0.25 -0.12 0.00 3.61 0.00 0.00 35.95 40.02 1u6g h PHE 395 CO 0.02 -0.33 0.28 1.25 -1.61 0.00 0.00 178.31 177.93 1u6g h HIS 396 N -0.43 0.45 -0.02 -0.55 2.76 -1.33 0.14 115.15 116.18 1u6g h HIS 396 Ca 0.03 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1u6g h HIS 396 Cb 0.45 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 1u6g h HIS 396 CO -0.21 -0.09 -0.12 0.00 -1.30 0.00 0.00 177.93 176.21 1u6g h ALA 397 N 1.69 -0.12 -0.37 5.26 0.00 -0.65 -2.22 119.26 122.84 1u6g h ALA 397 Ca 0.50 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.49 1u6g h ALA 397 Cb 0.93 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1u6g h ALA 397 CO -0.54 -0.60 0.02 -0.92 0.00 0.00 0.00 179.25 177.20 1u6g h TYR 398 N -0.19 0.02 -0.56 0.00 3.20 -0.22 -1.70 116.97 117.52 1u6g h TYR 398 Ca 0.05 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.06 1u6g h TYR 398 Cb 0.26 0.05 -0.11 0.00 1.54 0.00 0.00 36.73 38.47 1u6g h TYR 398 CO -0.19 -0.04 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.06 1u6g h LEU 399 N 0.13 -0.59 -0.85 2.82 3.38 -0.87 0.62 115.31 119.96 1u6g h LEU 399 Ca 0.18 0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.46 1u6g h LEU 399 Cb 0.24 0.37 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 1u6g h LEU 399 CO -0.28 -0.20 0.45 0.28 0.09 0.00 0.00 178.44 178.77 1u6g h SER 400 N -0.03 0.56 0.10 -0.43 0.02 -0.73 0.43 113.55 113.48 1u6g h SER 400 Ca 0.27 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1u6g h SER 400 Cb 0.43 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1u6g h SER 400 CO -0.59 0.25 -0.05 0.25 -1.14 0.00 0.00 176.83 175.56 1u6g h LEU 401 N 0.66 -0.11 -0.71 5.07 5.85 0.68 0.47 115.31 127.21 1u6g h LEU 401 Ca 0.45 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.24 1u6g h LEU 401 Cb 0.61 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 1u6g h LEU 401 CO -0.34 -0.05 0.36 -0.07 -0.34 0.00 0.00 178.44 177.99 1u6g h LEU 402 N -0.16 0.48 -0.89 2.25 3.38 0.14 -0.48 115.31 120.03 1u6g h LEU 402 Ca -0.01 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1u6g h LEU 402 Cb 0.13 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1u6g h LEU 402 CO 0.02 0.28 -0.03 0.11 0.09 0.00 0.00 178.44 178.91 1u6g h LYS 403 N 0.61 0.79 0.21 1.13 1.57 0.26 -2.31 116.57 118.83 1u6g h LYS 403 Ca 0.34 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1u6g h LYS 403 Cb 0.34 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1u6g h LYS 403 CO -0.26 0.82 -0.10 0.37 -0.57 0.00 0.00 179.45 179.71 1u6g h GLN 404 N 0.73 -0.27 -0.82 3.15 5.75 0.10 -2.49 115.11 121.27 1u6g h GLN 404 Ca 0.14 0.02 0.20 0.00 -0.15 0.00 0.00 58.65 58.86 1u6g h GLN 404 Cb 0.49 0.06 -0.13 0.00 1.07 0.00 0.00 27.48 28.97 1u6g h GLN 404 CO 0.02 -0.07 0.21 1.15 -2.65 0.00 0.00 178.83 177.50 1u6g h THR 405 N -0.42 0.40 -0.15 2.39 2.02 -0.94 -3.38 112.91 112.84 1u6g h THR 405 Ca -0.03 -0.08 -0.49 0.00 0.77 0.00 0.00 66.41 66.58 1u6g h THR 405 Cb 0.32 0.14 -0.08 0.00 -1.74 0.00 0.00 68.15 66.79 1u6g h THR 405 CO 0.05 0.04 1.75 -1.14 0.37 0.00 0.00 175.52 176.59 1u6g n ARG 406 N -5.19 0.10 0.00 6.66 0.63 -0.89 -4.78 116.66 113.19 1u6g n ARG 406 Ca 0.18 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1u6g n ARG 406 Cb 0.58 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.82 1u6g n ARG 406 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1u6g n PRO 407 N 8.38 0.00 0.00 -0.14 -0.04 -1.26 -5.01 135.00 136.93 1u6g n PRO 407 Ca 0.63 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 1u6g n PRO 407 Cb 0.09 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1u6g n PRO 407 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1u6g n VAL 408 N -1.73 0.00 -1.96 0.52 0.24 -1.26 -5.18 118.33 108.96 1u6g n VAL 408 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 1u6g n VAL 408 Cb 0.00 -0.18 -0.02 0.00 -1.47 0.00 0.00 33.84 32.16 1u6g n VAL 408 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1u6g s GLY 421 N -2.02 2.21 -0.12 7.63 0.00 -1.26 -5.17 107.32 108.60 1u6g s GLY 421 Ca 0.00 1.38 -0.01 0.00 0.00 0.00 0.00 44.72 46.09 1u6g s GLY 421 CO 0.00 2.37 0.05 -2.21 0.00 0.00 0.00 173.10 173.30 1u6g n GLU 422 N 2.46 -1.16 -0.96 2.90 2.13 -1.26 -5.08 120.64 119.67 1u6g n GLU 422 Ca 0.08 1.27 -0.35 0.00 0.66 0.00 0.00 57.16 58.81 1u6g n GLU 422 Cb 0.39 -2.65 0.06 0.00 0.27 0.00 0.00 31.44 29.52 1u6g n GLU 422 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1u6g n THR 423 N 0.10 0.05 0.16 6.31 -1.04 -1.26 -4.80 114.28 113.79 1u6g n THR 423 Ca 0.01 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.05 61.47 1u6g n THR 423 Cb 0.04 -0.20 -0.08 0.00 -1.82 0.00 0.00 70.33 68.27 1u6g n THR 423 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1u6g h PRO 424 N -1.11 -0.37 -0.57 -2.82 0.11 -1.98 -1.59 132.00 123.67 1u6g h PRO 424 Ca -0.44 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1u6g h PRO 424 Cb 1.30 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.47 1u6g h PRO 424 CO 0.27 -0.11 0.35 -0.07 -0.21 0.00 0.00 178.00 178.24 1u6g h LEU 425 N -0.60 0.68 -1.42 2.35 3.38 -1.94 0.23 115.31 117.98 1u6g h LEU 425 Ca -0.04 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1u6g h LEU 425 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1u6g h LEU 425 CO 0.06 0.52 -0.09 0.71 0.09 0.00 0.00 178.44 179.73 1u6g h THR 426 N 0.77 1.17 -0.05 0.22 1.35 -1.93 -0.61 112.91 113.82 1u6g h THR 426 Ca 0.21 -0.72 -0.17 0.00 -0.55 0.00 0.00 66.41 65.18 1u6g h THR 426 Cb -0.04 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.51 1u6g h THR 426 CO -0.04 0.23 -0.70 0.24 -0.25 0.00 0.00 175.52 175.00 1u6g h MET 427 N 0.25 0.24 0.70 4.72 2.86 -0.21 -3.12 114.93 120.38 1u6g h MET 427 Ca 0.05 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1u6g h MET 427 Cb 0.33 0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.04 1u6g h MET 427 CO 0.02 0.84 -0.34 1.25 1.06 0.00 0.00 176.91 179.74 1u6g h LEU 428 N 0.16 -0.80 -0.39 1.22 6.46 0.83 -2.94 115.31 119.85 1u6g h LEU 428 Ca -0.02 -0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1u6g h LEU 428 Cb 1.25 0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 41.34 1u6g h LEU 428 CO 0.11 -0.48 -0.23 0.00 -0.62 0.00 0.00 178.44 177.22 1u6g n GLN 429 N -5.45 -0.17 -0.48 1.25 6.02 -0.41 0.20 117.38 118.33 1u6g n GLN 429 Ca -0.13 1.18 0.37 0.00 -0.01 0.00 0.00 57.00 58.41 1u6g n GLN 429 Cb 0.39 -1.75 0.58 0.00 1.02 0.00 0.00 30.24 30.48 1u6g n GLN 429 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1u6g n SER 430 N -3.87 0.04 -0.03 1.08 2.88 -1.18 0.25 113.62 112.78 1u6g n SER 430 Ca 0.01 0.80 -0.13 0.00 -1.33 0.00 0.00 58.87 58.22 1u6g n SER 430 Cb 0.10 -0.40 -0.08 0.00 -0.75 0.00 0.00 64.21 63.08 1u6g n SER 430 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1u6g h GLN 431 N 0.00 0.17 -6.85 -1.46 1.08 0.24 -3.41 115.11 104.89 1u6g h GLN 431 Ca 0.68 -0.08 -0.47 0.00 -1.45 0.00 0.00 58.65 57.33 1u6g h GLN 431 Cb 2.62 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 30.02 1u6g h GLN 431 CO -0.09 0.55 0.22 0.14 -0.95 0.00 0.00 178.83 178.70 1u6g s VAL 432 N -4.51 4.51 -0.30 -0.54 -7.23 0.14 0.72 120.40 113.19 1u6g s VAL 432 Ca -0.15 1.28 0.17 0.00 -1.81 0.00 0.00 61.98 61.47 1u6g s VAL 432 Cb 0.04 -3.68 0.17 0.00 0.56 0.00 0.00 36.38 33.46 1u6g s VAL 432 CO 0.71 -0.15 1.49 -0.81 -0.31 0.00 0.00 175.10 176.03 1u6g n PRO 433 N -0.24 0.11 -0.17 4.82 -0.04 -1.26 -4.84 135.00 133.38 1u6g n PRO 433 Ca 0.04 0.60 -0.04 0.00 -0.04 0.00 0.00 63.50 64.06 1u6g n PRO 433 Cb 0.53 -1.90 0.06 0.00 -0.04 0.00 0.00 33.50 32.15 1u6g n PRO 433 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1u6g h ASN 434 N 0.00 0.37 0.35 3.54 4.21 0.01 0.22 115.58 124.28 1u6g h ASN 434 Ca 0.00 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.54 1u6g h ASN 434 Cb 0.09 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.24 1u6g h ASN 434 CO 0.00 0.25 -0.31 0.40 -1.29 0.00 0.00 177.43 176.48 1u6g h ILE 435 N 0.51 0.36 -0.53 2.81 2.04 -1.82 -2.13 117.51 118.74 1u6g h ILE 435 Ca 0.24 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.19 1u6g h ILE 435 Cb 0.16 0.36 -0.08 0.00 -0.74 0.00 0.00 36.82 36.52 1u6g h ILE 435 CO -0.17 0.00 0.09 0.58 0.00 0.00 0.00 178.15 178.65 1u6g h VAL 436 N -0.68 0.67 -0.93 1.67 2.07 -1.76 -0.87 116.25 116.43 1u6g h VAL 436 Ca -0.03 -0.08 0.11 0.00 0.82 0.00 0.00 66.70 67.53 1u6g h VAL 436 Cb 0.60 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 1u6g h VAL 436 CO -0.03 0.04 0.56 0.11 0.02 0.00 0.00 177.57 178.27 1u6g h LYS 437 N 0.22 0.88 0.09 1.57 1.57 -0.37 0.10 116.57 120.63 1u6g h LYS 437 Ca 0.27 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1u6g h LYS 437 Cb 0.39 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1u6g h LYS 437 CO -0.37 0.58 -0.04 0.00 -0.57 0.00 0.00 179.45 179.05 1u6g h ALA 438 N 1.51 -0.86 -0.85 3.86 0.00 -0.53 -3.25 119.26 119.13 1u6g h ALA 438 Ca 0.46 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.55 1u6g h ALA 438 Cb 0.44 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.13 1u6g h ALA 438 CO -0.26 -0.86 -0.01 -0.07 0.00 0.00 0.00 179.25 178.05 1u6g h LEU 439 N -0.14 -0.44 -1.33 0.00 3.38 -1.02 0.19 115.31 115.96 1u6g h LEU 439 Ca -0.01 0.23 0.38 0.00 0.09 0.00 0.00 57.88 58.57 1u6g h LEU 439 Cb 0.09 0.42 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 1u6g h LEU 439 CO 0.02 -0.25 0.76 -0.74 0.09 0.00 0.00 178.44 178.32 1u6g h HIS 440 N 0.07 0.62 0.03 1.13 2.76 -0.83 1.61 115.15 120.53 1u6g h HIS 440 Ca 0.48 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 58.44 1u6g h HIS 440 Cb 0.88 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.66 1u6g h HIS 440 CO -0.48 -0.15 -1.17 -0.22 -1.30 0.00 0.00 177.93 174.61 1u6g h LYS 441 N 0.18 0.05 0.32 5.26 3.64 -1.02 -3.37 116.57 121.64 1u6g h LYS 441 Ca 0.76 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 60.03 1u6g h LYS 441 Cb 2.19 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 34.05 1u6g h LYS 441 CO -0.43 0.97 -0.15 1.96 -2.27 0.00 0.00 179.45 179.53 1u6g h GLN 442 N 0.01 -0.42 -0.82 1.90 1.08 0.21 -3.30 115.11 113.78 1u6g h GLN 442 Ca -0.08 0.03 0.24 0.00 -1.45 0.00 0.00 58.65 57.38 1u6g h GLN 442 Cb 1.85 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 29.34 1u6g h GLN 442 CO 0.14 -0.28 0.72 -1.33 -0.95 0.00 0.00 178.83 177.13 1u6g n MET 443 N -4.76 0.00 -2.00 1.46 2.81 0.26 0.11 117.12 115.00 1u6g n MET 443 Ca -0.05 0.57 -0.35 0.00 -1.81 0.00 0.00 57.70 56.05 1u6g n MET 443 Cb 0.17 -1.37 0.03 0.00 -0.71 0.00 0.00 33.22 31.35 1u6g n MET 443 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1u6g n LYS 444 N -2.68 2.96 -4.61 0.03 2.85 -1.24 -4.83 118.16 110.63 1u6g n LYS 444 Ca 0.18 -3.77 -0.34 0.00 -1.05 0.00 0.00 58.31 53.33 1u6g n LYS 444 Cb 0.96 -2.27 -0.11 0.00 -0.65 0.00 0.00 35.03 32.96 1u6g n LYS 444 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1u6g s GLU 445 N -3.89 2.80 0.33 -1.58 2.56 0.29 -5.03 118.70 114.19 1u6g s GLU 445 Ca 0.52 -0.54 0.03 0.00 0.00 0.00 0.00 54.97 54.99 1u6g s GLU 445 Cb 0.44 -2.61 0.64 0.00 2.00 0.00 0.00 34.13 34.60 1u6g s GLU 445 CO -0.29 0.65 1.94 0.87 -0.56 0.00 0.00 175.26 177.86 1u6g h LYS 446 N 5.31 0.86 -6.43 4.30 1.57 -1.94 -3.43 116.57 116.81 1u6g h LYS 446 Ca -0.48 -0.05 -0.59 0.00 -1.87 0.00 0.00 60.65 57.66 1u6g h LYS 446 Cb 1.17 -0.19 0.04 0.00 0.08 0.00 0.00 32.23 33.34 1u6g h LYS 446 CO 0.53 0.57 0.92 0.45 -0.57 0.00 0.00 179.45 181.34 1u6g n SER 447 N -4.48 3.29 -0.03 0.86 2.88 -1.26 -4.86 113.62 110.01 1u6g n SER 447 Ca 0.12 1.04 -0.15 0.00 -1.33 0.00 0.00 58.87 58.55 1u6g n SER 447 Cb 0.22 -1.42 -0.04 0.00 -0.75 0.00 0.00 64.21 62.21 1u6g n SER 447 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1u6g h VAL 448 N 4.29 1.29 -0.97 2.46 2.07 -1.96 -3.13 116.25 120.29 1u6g h VAL 448 Ca -0.46 -1.89 0.05 0.00 0.82 0.00 0.00 66.70 65.22 1u6g h VAL 448 Cb 1.26 1.86 -0.06 0.00 -1.52 0.00 0.00 31.29 32.82 1u6g h VAL 448 CO 0.91 0.60 0.63 0.50 0.02 0.00 0.00 177.57 180.23 1u6g h LYS 449 N 0.56 1.14 0.33 1.57 3.64 -1.96 -2.69 116.57 119.17 1u6g h LYS 449 Ca -0.02 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1u6g h LYS 449 Cb 1.29 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1u6g h LYS 449 CO 0.14 0.76 -0.16 1.15 -2.27 0.00 0.00 179.45 179.07 1u6g h THR 450 N 1.18 0.58 -1.01 1.00 2.02 -1.93 -2.99 112.91 111.76 1u6g h THR 450 Ca 0.40 -0.68 0.23 0.00 0.77 0.00 0.00 66.41 67.14 1u6g h THR 450 Cb 0.09 0.87 -0.11 0.00 -1.74 0.00 0.00 68.15 67.27 1u6g h THR 450 CO -0.15 0.11 0.62 0.03 0.37 0.00 0.00 175.52 176.51 1u6g h ARG 451 N -0.88 0.55 -0.62 6.66 3.08 -1.52 0.55 114.38 122.21 1u6g h ARG 451 Ca -0.05 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1u6g h ARG 451 Cb 0.53 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1u6g h ARG 451 CO 0.07 0.36 0.41 1.96 -1.07 0.00 0.00 179.97 181.70 1u6g h GLN 452 N 0.56 0.74 -0.44 0.04 4.20 -1.43 -0.89 115.11 117.89 1u6g h GLN 452 Ca 0.60 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 59.15 1u6g h GLN 452 Cb 1.22 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 1u6g h GLN 452 CO -0.37 0.49 -0.16 0.00 -0.67 0.00 0.00 178.83 178.12 1u6g h PHE 455 N 0.65 0.33 0.00 0.00 -1.00 -1.15 -1.72 116.94 114.05 1u6g h PHE 455 Ca 0.28 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 1u6g h PHE 455 Cb 0.16 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.66 1u6g h PHE 455 CO -0.08 0.75 -0.03 -0.97 -1.61 0.00 0.00 178.31 176.37 1u6g h ASN 456 N -0.17 0.00 0.00 2.17 -0.00 -1.03 0.62 115.58 117.17 1u6g h ASN 456 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.31 1u6g h ASN 456 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.04 1u6g h ASN 456 CO 0.03 0.03 0.00 0.80 -0.00 0.00 0.00 177.43 178.29 1u6g n MET 457 N -3.60 0.00 -0.34 6.67 1.56 -0.17 -1.75 117.12 119.49 1u6g n MET 457 Ca -0.03 0.43 0.25 0.00 -0.27 0.00 0.00 57.70 58.08 1u6g n MET 457 Cb 0.12 -1.16 0.49 0.00 2.15 0.00 0.00 33.22 34.81 1u6g n MET 457 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1u6g h LEU 458 N 0.00 0.50 0.00 -0.89 3.38 -1.17 0.76 115.31 117.90 1u6g h LEU 458 Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1u6g h LEU 458 Cb 0.00 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1u6g h LEU 458 CO 0.00 -0.15 0.00 0.41 0.09 0.00 0.00 178.44 178.79 1u6g n THR 459 N -5.04 0.00 -0.28 0.22 -1.04 0.20 0.34 114.28 108.67 1u6g n THR 459 Ca 0.32 1.32 0.07 0.00 -2.04 0.00 0.00 64.05 63.72 1u6g n THR 459 Cb 1.01 -2.29 0.19 0.00 -1.82 0.00 0.00 70.33 67.41 1u6g n THR 459 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1u6g h GLU 460 N 0.00 0.08 -0.18 -2.82 4.57 -0.44 0.38 114.58 116.17 1u6g h GLU 460 Ca 0.00 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 1u6g h GLU 460 Cb 0.00 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.50 1u6g h GLU 460 CO 0.00 0.05 -0.35 1.25 -1.18 0.00 0.00 179.01 178.78 1u6g h LEU 461 N 0.08 -1.12 -1.80 1.64 7.12 0.69 0.65 115.31 122.57 1u6g h LEU 461 Ca 0.46 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.62 1u6g h LEU 461 Cb 0.84 0.48 -0.00 0.00 -0.53 0.00 0.00 40.66 41.44 1u6g h LEU 461 CO -0.74 -0.37 -0.04 0.58 -0.13 0.00 0.00 178.44 177.73 1u6g h VAL 462 N -0.40 0.15 0.00 1.05 2.07 0.27 -1.31 116.25 118.08 1u6g h VAL 462 Ca 0.10 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 1u6g h VAL 462 Cb 0.57 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1u6g h VAL 462 CO -0.40 0.04 -0.42 0.78 0.02 0.00 0.00 177.57 177.59 1u6g h ASN 463 N 0.00 0.00 0.10 0.57 2.35 0.17 -3.07 115.58 115.69 1u6g h ASN 463 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1u6g h ASN 463 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1u6g h ASN 463 CO 0.01 0.42 -0.05 0.58 -1.65 0.00 0.00 177.43 176.74 1u6g h VAL 464 N 0.00 0.00 -3.03 2.81 2.07 0.07 -3.40 116.25 114.77 1u6g h VAL 464 Ca -0.00 -0.57 -0.76 0.00 0.82 0.00 0.00 66.70 66.19 1u6g h VAL 464 Cb 1.23 0.00 -0.23 0.00 -1.52 0.00 0.00 31.29 30.77 1u6g h VAL 464 CO 0.05 0.00 0.72 -0.76 0.02 0.00 0.00 177.57 177.60 1u6g s LEU 465 N -7.14 5.85 0.03 2.57 1.43 -0.62 -4.93 118.68 115.88 1u6g s LEU 465 Ca -0.02 -3.04 0.00 0.00 -1.03 0.00 0.00 54.13 50.04 1u6g s LEU 465 Cb 0.00 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1u6g s LEU 465 CO 0.06 -0.58 0.54 -0.81 0.23 0.00 0.00 176.35 175.79 1u6g n PRO 466 N 4.35 0.00 0.00 1.29 -0.04 -1.16 0.23 135.00 139.67 1u6g n PRO 466 Ca 0.26 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1u6g n PRO 466 Cb 0.43 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1u6g n PRO 466 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u6g n GLY 467 N -1.04 -0.56 0.18 0.55 0.00 -1.26 -4.04 105.19 99.02 1u6g n GLY 467 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1u6g n GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6g n ALA 468 N -0.27 0.17 0.26 4.61 0.00 0.14 -2.69 120.51 122.73 1u6g n ALA 468 Ca 0.00 0.55 0.08 0.00 0.00 0.00 0.00 53.44 54.07 1u6g n ALA 468 Cb 0.02 -0.35 0.24 0.00 0.00 0.00 0.00 19.45 19.36 1u6g n ALA 468 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u6g n LEU 469 N -4.73 2.95 -0.36 0.00 4.77 -1.26 -4.68 117.00 113.69 1u6g n LEU 469 Ca 0.09 -1.48 -0.08 0.00 -0.03 0.00 0.00 56.01 54.52 1u6g n LEU 469 Cb 0.30 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1u6g n LEU 469 CO -0.05 0.70 0.53 0.74 -1.33 0.00 0.00 177.39 177.98 1u6g h THR 470 N 3.11 0.01 0.00 -5.08 2.02 -1.89 -0.45 112.91 110.63 1u6g h THR 470 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1u6g h THR 470 Cb 0.77 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1u6g h THR 470 CO 0.02 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.91 1u6g n GLN 471 N -5.35 0.44 0.00 6.66 3.00 -1.26 -3.94 117.38 116.93 1u6g n GLN 471 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1u6g n GLN 471 Cb 0.32 -1.26 0.00 0.00 0.00 0.00 0.00 30.24 29.30 1u6g n GLN 471 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1u6g n HIS 472 N -0.76 0.00 -0.61 1.08 8.25 -0.19 -4.90 115.22 118.09 1u6g n HIS 472 Ca 0.06 -0.03 0.48 0.00 -0.26 0.00 0.00 57.72 57.96 1u6g n HIS 472 Cb 0.03 -0.00 0.78 0.00 1.12 0.00 0.00 29.99 31.91 1u6g n HIS 472 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1u6g h ILE 473 N 1.94 0.07 0.00 1.59 1.08 -1.65 -1.38 117.51 119.15 1u6g h ILE 473 Ca 0.00 -0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.41 1u6g h ILE 473 Cb 0.74 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 1u6g h ILE 473 CO 0.00 0.00 -0.24 -0.65 -0.69 0.00 0.00 178.15 176.57 1u6g h PRO 474 N 0.01 0.00 0.00 2.37 0.11 -1.92 -2.12 132.00 130.46 1u6g h PRO 474 Ca 0.88 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.99 1u6g h PRO 474 Cb 3.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 34.46 1u6g h PRO 474 CO -0.12 0.24 -1.08 1.33 -0.21 0.00 0.00 178.00 178.17 1u6g n VAL 475 N -3.37 0.11 -0.07 3.15 0.24 -0.52 -4.35 118.33 113.51 1u6g n VAL 475 Ca 0.00 -0.20 -0.19 0.00 -2.04 0.00 0.00 64.34 61.91 1u6g n VAL 475 Cb 0.46 0.34 -0.12 0.00 -1.47 0.00 0.00 33.84 33.05 1u6g n VAL 475 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1u6g h LEU 476 N 0.00 0.06 -0.77 1.34 3.38 -1.57 -3.36 115.31 114.40 1u6g h LEU 476 Ca 0.00 -0.74 0.17 0.00 0.09 0.00 0.00 57.88 57.40 1u6g h LEU 476 Cb 0.69 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.28 1u6g h LEU 476 CO 0.00 1.34 -0.11 0.58 0.09 0.00 0.00 178.44 180.34 1u6g h VAL 477 N -0.89 0.27 -0.63 1.22 2.07 -1.58 1.03 116.25 117.73 1u6g h VAL 477 Ca -0.22 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.36 1u6g h VAL 477 Cb 1.27 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1u6g h VAL 477 CO -0.09 0.01 0.33 -0.65 0.02 0.00 0.00 177.57 177.18 1u6g h PRO 478 N 0.04 0.58 0.01 1.57 0.11 -1.77 0.44 132.00 132.98 1u6g h PRO 478 Ca 0.39 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.50 1u6g h PRO 478 Cb 0.65 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.59 1u6g h PRO 478 CO -0.74 0.38 -0.21 0.78 -0.21 0.00 0.00 178.00 178.00 1u6g h GLY 479 N 0.60 -0.30 0.25 -0.55 0.00 0.64 0.41 103.07 104.11 1u6g h GLY 479 Ca 0.29 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 1u6g h GLY 479 CO -0.21 -0.19 -0.16 -2.22 0.00 0.00 0.00 176.54 173.77 1u6g h ILE 480 N -0.34 0.00 -0.70 2.60 2.04 0.82 -2.99 117.51 118.95 1u6g h ILE 480 Ca 0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.04 1u6g h ILE 480 Cb 0.41 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.36 1u6g h ILE 480 CO -0.18 0.00 -0.33 0.40 0.00 0.00 0.00 178.15 178.04 1u6g h ILE 481 N -0.38 0.14 -0.93 -0.67 1.08 -0.10 -0.16 117.51 116.49 1u6g h ILE 481 Ca -0.03 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.63 1u6g h ILE 481 Cb 0.30 0.14 -0.18 0.00 -3.07 0.00 0.00 36.82 34.02 1u6g h ILE 481 CO 0.03 0.00 -0.19 0.15 -0.69 0.00 0.00 178.15 177.45 1u6g h PHE 482 N -0.11 -0.42 0.00 1.37 3.57 -0.14 0.59 116.94 121.80 1u6g h PHE 482 Ca 0.27 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1u6g h PHE 482 Cb 0.56 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1u6g h PHE 482 CO -0.68 -0.40 0.00 0.43 -2.23 0.00 0.00 178.31 175.43 1u6g n SER 483 N -5.57 0.00 -0.38 0.41 7.64 -0.10 -3.07 113.62 112.55 1u6g n SER 483 Ca 0.16 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1u6g n SER 483 Cb 0.51 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1u6g n SER 483 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1u6g n LEU 484 N -1.40 0.76 0.04 -3.43 4.77 0.21 -4.30 117.00 113.64 1u6g n LEU 484 Ca 0.09 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1u6g n LEU 484 Cb 0.26 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1u6g n LEU 484 CO 0.23 0.19 0.00 0.59 -1.33 0.00 0.00 177.39 177.06 1u6g n ASN 485 N -0.11 0.74 0.00 -1.43 3.02 -1.17 -4.98 115.26 111.33 1u6g n ASN 485 Ca 0.00 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1u6g n ASN 485 Cb 0.19 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 1u6g n ASN 485 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1u6g n ASP 486 N -3.20 0.00 0.00 6.41 5.75 -1.26 -4.98 116.55 119.27 1u6g n ASP 486 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1u6g n ASP 486 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1u6g n ASP 486 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1u6g n LYS 487 N -0.11 0.00 -4.24 0.11 3.00 -1.26 -5.09 118.16 110.58 1u6g n LYS 487 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.06 1u6g n LYS 487 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 1u6g n LYS 487 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1u6g s SER 488 N 0.00 4.67 0.00 3.14 1.04 -1.26 -4.34 113.70 116.95 1u6g s SER 488 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1u6g s SER 488 Cb 0.00 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.18 1u6g s SER 488 CO 0.00 0.06 0.00 -1.54 0.98 0.00 0.00 173.24 172.74 1u6g n SER 489 N -0.39 -1.20 -3.60 7.02 3.41 -1.26 -5.03 113.62 112.57 1u6g n SER 489 Ca -0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.23 1u6g n SER 489 Cb 0.56 -0.30 -0.15 0.00 -0.26 0.00 0.00 64.21 64.07 1u6g n SER 489 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1u6g s SER 490 N -2.26 3.65 0.00 4.04 0.01 -1.26 -4.91 113.70 112.96 1u6g s SER 490 Ca 0.00 -1.52 0.16 0.00 1.31 0.00 0.00 55.95 55.90 1u6g s SER 490 Cb 0.00 -0.54 -0.09 0.00 0.21 0.00 0.00 66.02 65.61 1u6g s SER 490 CO 0.00 -0.41 0.78 -1.54 0.41 0.00 0.00 173.24 172.47 1u6g n SER 491 N 4.96 1.21 0.10 2.44 3.41 -1.26 -4.16 113.62 120.32 1u6g n SER 491 Ca -0.03 -1.11 -0.12 0.00 -0.26 0.00 0.00 58.87 57.36 1u6g n SER 491 Cb 0.41 0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 65.02 1u6g n SER 491 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1u6g h ASN 492 N 0.94 -0.26 -0.22 4.04 2.35 -1.98 -1.56 115.58 118.89 1u6g h ASN 492 Ca 0.00 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.51 1u6g h ASN 492 Cb 0.47 0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 1u6g h ASN 492 CO 0.00 0.20 -0.23 0.25 -1.65 0.00 0.00 177.43 176.01 1u6g h LEU 493 N -0.81 -0.78 -1.27 1.61 5.85 -1.93 1.86 115.31 119.84 1u6g h LEU 493 Ca -0.03 0.11 0.24 0.00 0.84 0.00 0.00 57.88 59.04 1u6g h LEU 493 Cb 0.51 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 1u6g h LEU 493 CO 0.05 -0.15 0.64 0.11 -0.34 0.00 0.00 178.44 178.76 1u6g h LYS 494 N -0.12 0.47 -0.05 1.25 1.57 -1.74 0.61 116.57 118.56 1u6g h LYS 494 Ca 0.04 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1u6g h LYS 494 Cb 0.22 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.44 1u6g h LYS 494 CO -0.27 0.31 -0.72 0.82 -0.57 0.00 0.00 179.45 179.02 1u6g h ILE 495 N 0.48 1.35 -0.80 1.86 2.04 0.34 -0.47 117.51 122.31 1u6g h ILE 495 Ca 0.59 -2.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.37 1u6g h ILE 495 Cb 1.33 2.34 -0.04 0.00 -0.74 0.00 0.00 36.82 39.72 1u6g h ILE 495 CO -0.32 0.62 0.35 0.44 0.00 0.00 0.00 178.15 179.23 1u6g h ASP 496 N 0.19 1.08 0.20 1.72 5.19 0.52 0.17 116.42 125.49 1u6g h ASP 496 Ca -0.08 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.17 1u6g h ASP 496 Cb 1.39 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1u6g h ASP 496 CO 0.14 0.94 -0.10 0.00 -3.12 0.00 0.00 179.24 177.11 1u6g h ALA 497 N 1.18 -0.27 -0.32 3.45 0.00 0.08 -1.44 119.26 121.94 1u6g h ALA 497 Ca 0.27 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1u6g h ALA 497 Cb 0.17 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1u6g h ALA 497 CO -0.03 -0.57 0.33 -0.07 0.00 0.00 0.00 179.25 178.90 1u6g h LEU 498 N -0.43 0.00 0.04 0.00 3.38 -0.41 -0.17 115.31 117.71 1u6g h LEU 498 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1u6g h LEU 498 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1u6g h LEU 498 CO 0.05 0.00 -0.02 0.28 0.09 0.00 0.00 178.44 178.84 1u6g h SER 499 N 0.00 -0.04 -0.89 -0.43 0.02 -0.32 -2.94 113.55 108.94 1u6g h SER 499 Ca 0.15 -0.26 0.16 0.00 -0.84 0.00 0.00 61.79 60.99 1u6g h SER 499 Cb 0.80 0.01 -0.16 0.00 0.14 0.00 0.00 62.40 63.20 1u6g h SER 499 CO -0.00 0.57 -0.32 0.00 -1.14 0.00 0.00 176.83 175.95 1u6g h LEU 501 N -0.03 0.08 -0.19 0.00 6.46 -1.17 0.34 115.31 120.79 1u6g h LEU 501 Ca 0.36 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 58.22 1u6g h LEU 501 Cb 0.62 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.59 1u6g h LEU 501 CO -0.92 0.08 -0.02 0.22 -0.62 0.00 0.00 178.44 177.18 1u6g h TYR 502 N 0.27 -0.05 -0.51 1.25 3.20 0.60 -0.65 116.97 121.08 1u6g h TYR 502 Ca 0.21 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.12 1u6g h TYR 502 Cb 0.24 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1u6g h TYR 502 CO -0.18 -0.05 0.31 0.28 -1.64 0.00 0.00 178.16 176.87 1u6g h VAL 503 N 0.03 1.05 0.24 1.81 2.07 -0.30 -2.28 116.25 118.88 1u6g h VAL 503 Ca 0.09 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1u6g h VAL 503 Cb 0.13 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1u6g h VAL 503 CO -0.17 0.11 -0.28 0.40 0.02 0.00 0.00 177.57 177.65 1u6g h ILE 504 N 0.61 0.00 0.00 4.57 2.04 -0.43 -1.78 117.51 122.52 1u6g h ILE 504 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 1u6g h ILE 504 Cb 0.02 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1u6g h ILE 504 CO -0.09 0.00 0.45 -0.07 0.00 0.00 0.00 178.15 178.44 1u6g h LEU 505 N -0.53 0.00 0.00 1.44 3.38 -0.98 0.13 115.31 118.75 1u6g h LEU 505 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1u6g h LEU 505 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1u6g h LEU 505 CO -0.05 0.00 -0.71 0.00 0.09 0.00 0.00 178.44 177.77 1u6g n ASN 507 N -2.89 0.97 0.00 0.00 3.02 0.03 -5.03 115.26 111.37 1u6g n ASN 507 Ca 0.00 -2.78 0.00 0.00 -0.03 0.00 0.00 54.58 51.77 1u6g n ASN 507 Cb 0.60 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1u6g n ASN 507 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1u6g n HIS 508 N 1.97 0.00 -1.56 3.10 8.25 -1.25 -4.34 115.22 121.39 1u6g n HIS 508 Ca 0.26 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 57.21 1u6g n HIS 508 Cb 0.46 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 1u6g n HIS 508 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1u6g n SER 509 N 0.00 1.14 -0.08 0.41 7.64 -1.26 -4.81 113.62 116.65 1u6g n SER 509 Ca 0.00 1.14 0.09 0.00 1.01 0.00 0.00 58.87 61.11 1u6g n SER 509 Cb 0.00 -1.17 0.46 0.00 -1.01 0.00 0.00 64.21 62.49 1u6g n SER 509 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1u6g h PRO 510 N 3.44 0.49 -0.96 1.43 0.13 -1.91 -2.85 132.00 131.76 1u6g h PRO 510 Ca -0.44 -0.03 0.31 0.00 -0.87 0.00 0.00 66.00 64.97 1u6g h PRO 510 Cb 1.36 -0.11 -0.16 0.00 0.13 0.00 0.00 31.00 32.22 1u6g h PRO 510 CO 0.70 0.32 0.40 1.96 -0.23 0.00 0.00 178.00 181.15 1u6g h GLN 511 N 0.51 0.18 -0.71 0.86 7.50 -1.87 0.26 115.11 121.84 1u6g h GLN 511 Ca 0.26 -0.01 0.17 0.00 0.50 0.00 0.00 58.65 59.56 1u6g h GLN 511 Cb 0.36 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.81 1u6g h GLN 511 CO -0.07 0.12 0.49 0.28 -1.50 0.00 0.00 178.83 178.15 1u6g h VAL 512 N 0.19 0.74 0.00 -0.54 2.07 -1.86 -2.32 116.25 114.52 1u6g h VAL 512 Ca 0.69 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 68.13 1u6g h VAL 512 Cb 1.56 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1u6g h VAL 512 CO -0.69 0.04 -0.78 -0.26 0.02 0.00 0.00 177.57 175.90 1u6g h PHE 513 N 0.23 0.00 -0.48 1.57 -1.00 -0.67 -3.41 116.94 113.18 1u6g h PHE 513 Ca 0.35 0.00 0.05 0.00 2.81 0.00 0.00 57.97 61.17 1u6g h PHE 513 Cb 1.03 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.52 1u6g h PHE 513 CO -0.00 0.00 -0.35 0.45 -1.61 0.00 0.00 178.31 176.79 1u6g h HIS 514 N 0.00 -1.12 0.00 -0.55 3.86 -1.38 0.63 115.15 116.59 1u6g h HIS 514 Ca 0.00 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1u6g h HIS 514 Cb 0.98 0.55 0.00 0.00 1.06 0.00 0.00 27.41 30.00 1u6g h HIS 514 CO 0.00 -0.25 0.32 -1.00 0.86 0.00 0.00 177.93 177.86 1u6g h PRO 515 N -0.09 0.00 0.00 2.45 0.13 -1.79 0.79 132.00 133.49 1u6g h PRO 515 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1u6g h PRO 515 Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1u6g h PRO 515 CO -0.50 0.00 -1.01 0.72 -0.23 0.00 0.00 178.00 176.98 1u6g n HIS 516 N -2.41 0.00 0.12 1.56 8.25 0.20 -4.38 115.22 118.57 1u6g n HIS 516 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1u6g n HIS 516 Cb 0.35 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.40 1u6g n HIS 516 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1u6g h VAL 517 N 0.00 0.61 -1.41 1.59 2.07 0.78 -1.07 116.25 118.83 1u6g h VAL 517 Ca 0.00 0.00 0.45 0.00 0.82 0.00 0.00 66.70 67.97 1u6g h VAL 517 Cb 0.50 0.61 -0.12 0.00 -1.52 0.00 0.00 31.29 30.77 1u6g h VAL 517 CO 0.00 0.00 0.94 -0.61 0.02 0.00 0.00 177.57 177.92 1u6g h GLN 518 N -0.37 0.07 -0.18 1.57 5.75 -1.76 0.63 115.11 120.82 1u6g h GLN 518 Ca 0.01 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1u6g h GLN 518 Cb 0.36 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1u6g h GLN 518 CO -0.06 0.05 0.00 0.00 -2.65 0.00 0.00 178.83 176.17 1u6g n ALA 519 N -2.60 2.14 -0.05 3.38 0.00 -0.96 -4.60 120.51 117.82 1u6g n ALA 519 Ca 0.37 -1.20 -0.05 0.00 0.00 0.00 0.00 53.44 52.57 1u6g n ALA 519 Cb 1.50 -0.26 -0.10 0.00 0.00 0.00 0.00 19.45 20.60 1u6g n ALA 519 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u6g n LEU 520 N -0.06 0.00 0.48 0.00 4.77 0.17 -4.75 117.00 117.61 1u6g n LEU 520 Ca 0.07 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.87 1u6g n LEU 520 Cb 0.38 0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.65 1u6g n LEU 520 CO 0.05 0.27 0.51 0.58 -1.33 0.00 0.00 177.39 177.46 1u6g h VAL 521 N 0.00 0.00 -0.87 4.08 2.07 -1.71 -3.06 116.25 116.76 1u6g h VAL 521 Ca -0.29 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 67.35 1u6g h VAL 521 Cb 1.62 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.24 1u6g h VAL 521 CO 0.02 0.00 -0.26 -2.65 0.02 0.00 0.00 177.57 174.70 1u6g n PRO 522 N -5.38 -0.12 0.10 1.57 -0.02 -1.26 0.19 135.00 130.07 1u6g n PRO 522 Ca -0.15 1.35 -0.01 0.00 -2.02 0.00 0.00 63.50 62.67 1u6g n PRO 522 Cb 0.48 -2.02 0.26 0.00 -0.02 0.00 0.00 33.50 32.20 1u6g n PRO 522 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1u6g h PRO 523 N 0.00 0.24 0.28 0.52 0.13 -1.86 -2.44 132.00 128.88 1u6g h PRO 523 Ca 0.38 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 65.40 1u6g h PRO 523 Cb 0.60 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1u6g h PRO 523 CO -0.89 0.56 -0.14 0.28 -0.23 0.00 0.00 178.00 177.59 1u6g h VAL 524 N 0.21 0.00 -0.85 1.56 2.07 -0.15 -2.51 116.25 116.58 1u6g h VAL 524 Ca 0.03 -0.46 0.25 0.00 0.82 0.00 0.00 66.70 67.33 1u6g h VAL 524 Cb 0.71 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1u6g h VAL 524 CO 0.05 0.00 0.96 0.58 0.02 0.00 0.00 177.57 179.18 1u6g h VAL 525 N -0.84 0.12 0.19 2.57 2.07 -0.59 0.41 116.25 120.18 1u6g h VAL 525 Ca -0.04 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.19 1u6g h VAL 525 Cb 0.29 0.23 0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1u6g h VAL 525 CO 0.06 0.00 -1.38 0.00 0.02 0.00 0.00 177.57 176.27 1u6g h ALA 526 N 0.88 -0.02 -0.54 1.67 0.00 -1.40 -3.27 119.26 116.59 1u6g h ALA 526 Ca 0.40 -0.93 0.06 0.00 0.00 0.00 0.00 54.91 54.44 1u6g h ALA 526 Cb 2.32 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 20.36 1u6g h ALA 526 CO -0.00 0.72 0.36 0.00 0.00 0.00 0.00 179.25 180.32 1u6g h VAL 528 N 0.51 0.68 -0.59 0.00 2.07 -1.47 -1.94 116.25 115.52 1u6g h VAL 528 Ca 0.23 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.41 1u6g h VAL 528 Cb 0.27 0.68 -0.13 0.00 -1.52 0.00 0.00 31.29 30.60 1u6g h VAL 528 CO -0.06 0.00 0.14 0.61 0.02 0.00 0.00 177.57 178.27 1u6g n GLY 529 N -1.26 3.78 3.91 2.17 0.00 -0.09 -4.58 105.19 109.13 1u6g n GLY 529 Ca -0.05 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 1u6g n GLY 529 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u6g s ASP 530 N 0.93 6.42 0.09 1.61 -1.08 -0.73 -5.00 116.67 118.91 1u6g s ASP 530 Ca 0.53 0.43 -0.31 0.00 -0.52 0.00 0.00 52.55 52.68 1u6g s ASP 530 Cb 0.32 -2.02 -0.14 0.00 -1.46 0.00 0.00 42.92 39.61 1u6g s ASP 530 CO -0.11 0.07 1.62 1.55 0.52 0.00 0.00 175.17 178.83 1u6g h PRO 531 N 2.70 -0.70 -6.70 4.34 0.13 -1.90 -3.43 132.00 126.44 1u6g h PRO 531 Ca -0.46 0.05 -0.53 0.00 -0.87 0.00 0.00 66.00 64.19 1u6g h PRO 531 Cb 1.17 0.16 0.05 0.00 0.13 0.00 0.00 31.00 32.51 1u6g h PRO 531 CO 0.73 -0.47 0.79 0.12 -0.23 0.00 0.00 178.00 178.94 1u6g s PHE 532 N -6.03 3.03 0.05 1.56 5.36 -1.26 -4.96 117.98 115.73 1u6g s PHE 532 Ca -0.17 0.91 -0.18 0.00 -0.96 0.00 0.00 56.93 56.53 1u6g s PHE 532 Cb 0.05 -3.85 -0.14 0.00 -0.34 0.00 0.00 43.02 38.74 1u6g s PHE 532 CO 0.63 -2.89 1.33 0.10 -1.46 0.00 0.00 175.22 172.93 1u6g h TYR 533 N 5.56 0.60 -1.01 10.12 -0.00 -1.98 -2.92 116.97 127.34 1u6g h TYR 533 Ca -0.45 -0.20 0.31 0.00 -0.00 0.00 0.00 58.73 58.39 1u6g h TYR 533 Cb 1.21 -0.12 -0.14 0.00 -0.00 0.00 0.00 36.73 37.68 1u6g h TYR 533 CO 0.62 0.90 0.59 0.87 -0.00 0.00 0.00 178.16 181.13 1u6g h LYS 534 N 0.13 0.35 -0.24 0.10 6.56 -1.97 0.95 116.57 122.46 1u6g h LYS 534 Ca 0.02 -0.02 -0.20 0.00 -1.06 0.00 0.00 60.65 59.39 1u6g h LYS 534 Cb 0.84 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 1u6g h LYS 534 CO 0.06 0.23 -0.63 0.82 -2.06 0.00 0.00 179.45 177.88 1u6g h ILE 535 N 0.36 1.28 -0.76 1.86 2.04 -1.90 -3.19 117.51 117.20 1u6g h ILE 535 Ca 0.72 -1.81 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1u6g h ILE 535 Cb 1.62 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 39.43 1u6g h ILE 535 CO -0.57 0.58 0.45 0.74 0.00 0.00 0.00 178.15 179.35 1u6g h THR 536 N 0.61 1.22 -0.19 -0.27 2.02 0.98 -1.31 112.91 115.96 1u6g h THR 536 Ca -0.01 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 1u6g h THR 536 Cb 1.24 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1u6g h THR 536 CO 0.14 0.23 0.05 0.77 0.37 0.00 0.00 175.52 177.08 1u6g h SER 537 N 1.05 0.29 -0.01 4.18 4.64 -0.77 -1.07 113.55 121.87 1u6g h SER 537 Ca 0.27 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1u6g h SER 537 Cb -0.02 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1u6g h SER 537 CO -0.05 0.43 0.01 -0.33 -0.87 0.00 0.00 176.83 176.02 1u6g h GLU 538 N 0.12 0.02 -1.00 4.77 4.39 -1.51 -0.29 114.58 121.09 1u6g h GLU 538 Ca 0.06 -0.00 0.24 0.00 0.34 0.00 0.00 59.36 60.00 1u6g h GLU 538 Cb 0.26 -0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.78 1u6g h GLU 538 CO -0.00 0.10 0.58 0.00 -1.16 0.00 0.00 179.01 178.53 1u6g h ALA 539 N 0.92 1.77 0.00 3.43 0.00 -1.13 0.70 119.26 124.95 1u6g h ALA 539 Ca 0.01 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1u6g h ALA 539 Cb 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1u6g h ALA 539 CO -0.00 -0.27 -0.43 -0.07 0.00 0.00 0.00 179.25 178.48 1u6g h LEU 540 N 0.58 0.00 -0.26 0.00 4.07 -0.41 -1.71 115.31 117.57 1u6g h LEU 540 Ca 0.64 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 58.39 1u6g h LEU 540 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1u6g h LEU 540 CO -0.48 0.43 -0.72 0.25 -1.08 0.00 0.00 178.44 176.85 1u6g h LEU 541 N 0.00 0.83 -0.18 1.67 6.46 0.20 -2.54 115.31 121.76 1u6g h LEU 541 Ca -0.00 -0.52 -0.06 0.00 -0.12 0.00 0.00 57.88 57.17 1u6g h LEU 541 Cb 1.10 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1u6g h LEU 541 CO 0.06 1.30 -0.14 0.58 -0.62 0.00 0.00 178.44 179.62 1u6g h VAL 542 N 0.50 1.33 -0.63 1.05 2.07 -0.89 -3.05 116.25 116.62 1u6g h VAL 542 Ca -0.03 -1.27 0.12 0.00 0.82 0.00 0.00 66.70 66.34 1u6g h VAL 542 Cb 1.32 1.77 -0.09 0.00 -1.52 0.00 0.00 31.29 32.77 1u6g h VAL 542 CO 0.14 0.38 0.15 0.74 0.02 0.00 0.00 177.57 179.00 1u6g h THR 543 N 0.07 0.63 -0.76 2.57 2.02 -1.28 0.99 112.91 117.14 1u6g h THR 543 Ca 0.03 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1u6g h THR 543 Cb 0.66 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1u6g h THR 543 CO 0.04 0.05 0.50 -0.61 0.37 0.00 0.00 175.52 175.87 1u6g h GLN 544 N 0.28 1.00 0.08 6.66 4.15 -1.41 0.33 115.11 126.20 1u6g h GLN 544 Ca 0.34 -0.06 -0.22 0.00 0.77 0.00 0.00 58.65 59.48 1u6g h GLN 544 Cb 0.51 -0.23 0.02 0.00 0.21 0.00 0.00 27.48 28.00 1u6g h GLN 544 CO -0.42 0.66 -0.90 0.37 -1.93 0.00 0.00 178.83 176.61 1u6g h GLN 545 N 1.03 0.46 -1.06 1.69 5.75 -0.93 -3.03 115.11 119.02 1u6g h GLN 545 Ca 0.28 -0.61 0.28 0.00 -0.15 0.00 0.00 58.65 58.45 1u6g h GLN 545 Cb -0.12 0.20 -0.09 0.00 1.07 0.00 0.00 27.48 28.54 1u6g h GLN 545 CO -0.06 1.25 0.69 -0.07 -2.65 0.00 0.00 178.83 177.99 1u6g h LEU 546 N -0.03 0.39 0.67 -2.39 3.38 0.15 0.50 115.31 117.98 1u6g h LEU 546 Ca -0.14 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1u6g h LEU 546 Cb 1.63 0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.41 1u6g h LEU 546 CO 0.17 0.06 -0.32 0.58 0.09 0.00 0.00 178.44 179.02 1u6g h VAL 547 N 0.34 0.12 0.00 1.22 2.07 -0.87 -2.66 116.25 116.47 1u6g h VAL 547 Ca 0.60 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1u6g h VAL 547 Cb 1.63 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1u6g h VAL 547 CO -0.28 0.02 0.20 0.11 0.02 0.00 0.00 177.57 177.64 1u6g h LYS 548 N -1.17 0.00 0.04 1.57 1.57 -0.87 0.25 116.57 117.96 1u6g h LYS 548 Ca -0.09 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.47 1u6g h LYS 548 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1u6g h LYS 548 CO 0.15 0.00 -1.00 0.28 -0.57 0.00 0.00 179.45 178.31 1u6g h VAL 549 N 0.00 1.52 -0.13 0.50 2.07 -0.74 -2.96 116.25 116.51 1u6g h VAL 549 Ca 0.00 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 64.66 1u6g h VAL 549 Cb 0.40 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1u6g h VAL 549 CO 0.00 0.83 0.00 2.30 0.02 0.00 0.00 177.57 180.72 1u6g n ILE 550 N -3.58 0.21 0.19 4.57 -5.35 0.66 -4.44 119.36 111.62 1u6g n ILE 550 Ca -0.05 -0.61 0.02 0.00 -0.27 0.00 0.00 62.75 61.85 1u6g n ILE 550 Cb 0.89 1.18 0.01 0.00 -1.74 0.00 0.00 39.64 39.98 1u6g n ILE 550 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1u6g n ARG 551 N 0.98 0.69 0.00 6.28 -4.01 0.08 -4.56 116.66 116.13 1u6g n ARG 551 Ca 0.12 -0.64 0.00 0.00 -1.04 0.00 0.00 57.85 56.29 1u6g n ARG 551 Cb 0.45 -1.02 0.00 0.00 -3.04 0.00 0.00 32.46 28.85 1u6g n ARG 551 CO 0.00 0.00 0.00 -0.35 -3.04 0.00 0.00 177.63 174.24 1u6g n PRO 552 N 0.02 0.00 -0.01 2.89 -0.04 -1.12 -4.78 135.00 131.96 1u6g n PRO 552 Ca 0.02 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 1u6g n PRO 552 Cb 0.10 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.41 1u6g n PRO 552 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1u6g n LEU 553 N 0.00 0.23 -0.05 1.53 4.77 -1.26 -4.17 117.00 118.05 1u6g n LEU 553 Ca 0.00 -0.11 -0.18 0.00 -0.03 0.00 0.00 56.01 55.69 1u6g n LEU 553 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1u6g n LEU 553 CO 0.00 0.06 0.04 -2.24 -1.33 0.00 0.00 177.39 173.92 1u6g h ASP 554 N 0.00 0.13 -4.08 -1.43 2.03 -1.98 -3.42 116.42 107.67 1u6g h ASP 554 Ca 0.00 -0.87 -0.65 0.00 -0.73 0.00 0.00 57.03 54.78 1u6g h ASP 554 Cb 0.88 -0.04 -0.40 0.00 -0.83 0.00 0.00 39.33 38.94 1u6g h ASP 554 CO 0.00 1.25 -0.65 0.00 -1.03 0.00 0.00 179.24 178.81 1u6g s GLN 555 N -2.32 1.82 0.16 4.15 1.03 -1.26 -5.09 119.66 118.15 1u6g s GLN 555 Ca -0.20 -2.32 -0.30 0.00 0.04 0.00 0.00 55.36 52.58 1u6g s GLN 555 Cb 0.00 -3.31 -0.17 0.00 0.03 0.00 0.00 33.01 29.56 1u6g s GLN 555 CO 0.70 -1.05 0.62 -2.30 -2.54 0.00 0.00 175.29 170.73 1u6g n PRO 556 N 3.60 0.00 -1.36 9.60 -0.02 -1.26 -4.80 135.00 140.75 1u6g n PRO 556 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1u6g n PRO 556 Cb 0.36 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 1u6g n PRO 556 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1u6g n SER 557 N 1.89 1.30 -0.89 2.55 3.41 -1.26 -5.08 113.62 115.53 1u6g n SER 557 Ca 0.18 -0.68 0.02 0.00 -0.26 0.00 0.00 58.87 58.13 1u6g n SER 557 Cb 0.21 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1u6g n SER 557 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1u6g n SER 558 N -1.16 0.40 -4.70 4.04 7.64 -1.26 -5.07 113.62 113.50 1u6g n SER 558 Ca 0.00 -2.00 -0.39 0.00 1.01 0.00 0.00 58.87 57.49 1u6g n SER 558 Cb 0.00 -0.24 -0.06 0.00 -1.01 0.00 0.00 64.21 62.90 1u6g n SER 558 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1u6g s PHE 559 N -0.01 3.49 -0.35 1.43 5.36 -1.26 -5.02 117.98 121.62 1u6g s PHE 559 Ca 0.13 0.97 -0.27 0.00 -0.96 0.00 0.00 56.93 56.81 1u6g s PHE 559 Cb 0.15 -2.67 0.02 0.00 -0.34 0.00 0.00 43.02 40.18 1u6g s PHE 559 CO -0.07 0.06 0.98 0.34 -1.46 0.00 0.00 175.22 175.07 1u6g s ASP 560 N 0.82 6.77 -0.00 6.13 2.15 -1.26 -4.86 116.67 126.42 1u6g s ASP 560 Ca 0.29 0.76 0.22 0.00 0.43 0.00 0.00 52.55 54.24 1u6g s ASP 560 Cb -0.16 -2.49 -0.17 0.00 -0.30 0.00 0.00 42.92 39.79 1u6g s ASP 560 CO 0.12 -0.87 0.88 0.00 -0.17 0.00 0.00 175.17 175.14 1u6g n ALA 561 N 6.82 4.26 -0.31 3.66 0.00 -1.26 -4.55 120.51 129.11 1u6g n ALA 561 Ca 0.09 -0.55 0.17 0.00 0.00 0.00 0.00 53.44 53.15 1u6g n ALA 561 Cb 0.48 -0.81 0.36 0.00 0.00 0.00 0.00 19.45 19.47 1u6g n ALA 561 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1u6g h THR 562 N 0.00 0.24 0.00 0.00 1.35 -1.94 -0.39 112.91 112.17 1u6g h THR 562 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1u6g h THR 562 Cb 0.60 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1u6g h THR 562 CO 0.00 0.03 0.00 -0.81 -0.25 0.00 0.00 175.52 174.49 1u6g n PRO 563 N -5.23 0.41 0.00 4.72 -0.04 -1.26 -2.60 135.00 131.00 1u6g n PRO 563 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1u6g n PRO 563 Cb 0.81 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 1u6g n PRO 563 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1u6g n TYR 564 N -0.69 0.00 -0.16 0.54 4.02 -0.16 -4.83 117.16 115.88 1u6g n TYR 564 Ca 0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.80 1u6g n TYR 564 Cb 0.02 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.26 1u6g n TYR 564 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1u6g h ILE 565 N 0.00 0.03 0.00 -0.72 2.04 -1.41 -1.96 117.51 115.49 1u6g h ILE 565 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1u6g h ILE 565 Cb 0.00 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1u6g h ILE 565 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.44 1u6g n LYS 566 N -5.38 0.00 -0.32 2.37 4.01 -1.26 -0.32 118.16 117.26 1u6g n LYS 566 Ca -0.02 0.46 0.09 0.00 -0.51 0.00 0.00 58.31 58.32 1u6g n LYS 566 Cb 0.34 -1.03 0.20 0.00 -0.51 0.00 0.00 35.03 34.03 1u6g n LYS 566 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1u6g h ASP 567 N 0.00 -0.61 0.55 4.39 3.32 -1.89 0.30 116.42 122.48 1u6g h ASP 567 Ca 0.00 0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1u6g h ASP 567 Cb 0.00 0.50 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1u6g h ASP 567 CO 0.00 -0.30 -0.38 -0.07 -1.72 0.00 0.00 179.24 176.77 1u6g h LEU 568 N 0.02 -0.98 -1.06 1.55 3.38 -0.96 -2.70 115.31 114.56 1u6g h LEU 568 Ca 0.50 0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.73 1u6g h LEU 568 Cb 0.92 0.29 -0.10 0.00 0.09 0.00 0.00 40.66 41.86 1u6g h LEU 568 CO -0.89 -0.56 0.61 0.15 0.09 0.00 0.00 178.44 177.85 1u6g h PHE 569 N -0.88 1.01 0.00 1.13 3.57 0.75 -3.09 116.94 119.44 1u6g h PHE 569 Ca -0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1u6g h PHE 569 Cb 0.72 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1u6g h PHE 569 CO -0.09 0.22 0.00 2.41 -2.23 0.00 0.00 178.31 178.62 1u6g n THR 570 N -4.74 0.00 -0.25 4.41 -1.04 0.93 -1.99 114.28 111.60 1u6g n THR 570 Ca 0.23 0.74 0.21 0.00 -2.04 0.00 0.00 64.05 63.19 1u6g n THR 570 Cb 0.60 -1.64 0.34 0.00 -1.82 0.00 0.00 70.33 67.80 1u6g n THR 570 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u6g h THR 572 N 0.00 0.78 -0.52 0.00 2.02 -1.42 -2.78 112.91 110.99 1u6g h THR 572 Ca 0.42 -0.92 0.05 0.00 0.77 0.00 0.00 66.41 66.74 1u6g h THR 572 Cb 1.46 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 69.08 1u6g h THR 572 CO -0.15 0.18 0.35 0.16 0.37 0.00 0.00 175.52 176.42 1u6g h ILE 573 N -0.82 1.00 -0.39 3.11 -0.00 0.33 0.60 117.51 121.34 1u6g h ILE 573 Ca -0.03 -0.17 0.10 0.00 -0.00 0.00 0.00 64.86 64.76 1u6g h ILE 573 Cb 0.51 0.46 -0.02 0.00 -0.00 0.00 0.00 36.82 37.77 1u6g h ILE 573 CO 0.05 0.09 0.28 0.11 -0.00 0.00 0.00 178.15 178.68 1u6g h LYS 574 N 0.50 0.05 0.00 0.16 1.57 -1.39 1.03 116.57 118.49 1u6g h LYS 574 Ca 0.22 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.75 1u6g h LYS 574 Cb 0.25 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1u6g h LYS 574 CO -0.06 0.03 -1.50 0.54 -0.57 0.00 0.00 179.45 177.89 1u6g n ARG 575 N -4.44 0.55 -0.15 3.15 5.12 0.16 -4.21 116.66 116.85 1u6g n ARG 575 Ca 0.06 0.46 0.20 0.00 -1.93 0.00 0.00 57.85 56.65 1u6g n ARG 575 Cb 0.43 -1.65 0.60 0.00 -1.16 0.00 0.00 32.46 30.68 1u6g n ARG 575 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1u6g h LEU 576 N -1.00 0.22 -7.46 0.55 5.85 0.09 -3.05 115.31 110.51 1u6g h LEU 576 Ca -0.38 0.02 -0.75 0.00 0.84 0.00 0.00 57.88 57.60 1u6g h LEU 576 Cb 1.27 -0.02 -0.31 0.00 0.37 0.00 0.00 40.66 41.96 1u6g h LEU 576 CO -0.23 0.10 0.19 -0.75 -0.34 0.00 0.00 178.44 177.40 1u6g s LYS 577 N -5.23 3.75 0.00 1.25 2.20 0.35 -4.78 119.74 117.29 1u6g s LYS 577 Ca -0.07 -3.23 0.00 0.00 -0.36 0.00 0.00 55.97 52.32 1u6g s LYS 577 Cb 0.21 -4.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 1u6g s LYS 577 CO 0.76 -1.25 0.00 0.00 -0.36 0.00 0.00 175.35 174.50 1u6g n ALA 578 N 2.56 0.72 -0.74 3.13 0.00 -1.15 -4.73 120.51 120.31 1u6g n ALA 578 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1u6g n ALA 578 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1u6g n ALA 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u6g n ALA 579 N -3.00 0.00 0.00 0.00 0.00 -1.26 -4.92 120.51 111.32 1u6g n ALA 579 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u6g n ALA 579 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1u6g n ALA 579 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u6g n ASP 580 N 1.00 3.39 -4.92 0.00 10.43 -1.26 -5.07 116.55 120.13 1u6g n ASP 580 Ca 0.00 0.00 -0.26 0.00 2.57 0.00 0.00 54.79 57.10 1u6g n ASP 580 Cb 0.12 0.59 -0.01 0.00 1.84 0.00 0.00 41.12 43.66 1u6g n ASP 580 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1u6g s ILE 581 N -1.45 4.97 0.35 0.53 -5.25 -1.26 -5.03 121.20 114.07 1u6g s ILE 581 Ca 0.00 0.00 -0.24 0.00 -0.99 0.00 0.00 60.65 59.42 1u6g s ILE 581 Cb 0.00 -3.86 -0.14 0.00 2.95 0.00 0.00 42.46 41.41 1u6g s ILE 581 CO 0.00 -0.74 0.54 -0.67 -1.79 0.00 0.00 174.94 172.28 1u6g n ASP 582 N -2.05 -0.92 0.01 4.36 -0.08 -1.26 -4.70 116.55 111.91 1u6g n ASP 582 Ca -0.01 0.98 0.01 0.00 -1.51 0.00 0.00 54.79 54.26 1u6g n ASP 582 Cb 0.55 -1.07 0.35 0.00 2.34 0.00 0.00 41.12 43.29 1u6g n ASP 582 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1u6g h GLN 583 N 0.95 0.50 -0.51 -0.67 3.07 -1.98 -1.58 115.11 114.89 1u6g h GLN 583 Ca -0.37 -0.08 0.10 0.00 0.09 0.00 0.00 58.65 58.39 1u6g h GLN 583 Cb 1.41 -0.09 -0.10 0.00 0.08 0.00 0.00 27.48 28.78 1u6g h GLN 583 CO 0.53 0.47 -0.14 1.49 0.09 0.00 0.00 178.83 181.27 1u6g h GLU 584 N 0.49 -0.02 -0.37 0.06 4.81 -2.00 0.40 114.58 117.95 1u6g h GLU 584 Ca 0.12 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1u6g h GLU 584 Cb 0.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1u6g h GLU 584 CO -0.00 -0.01 0.02 0.28 -0.73 0.00 0.00 179.01 178.56 1u6g h VAL 585 N -0.02 1.20 0.00 0.32 2.07 -1.68 -1.11 116.25 117.03 1u6g h VAL 585 Ca 0.24 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 1u6g h VAL 585 Cb 0.39 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1u6g h VAL 585 CO -0.53 0.28 -0.29 0.50 0.02 0.00 0.00 177.57 177.54 1u6g h LYS 586 N 0.56 0.00 0.07 1.57 1.63 0.55 -1.83 116.57 119.12 1u6g h LYS 586 Ca 0.12 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.64 1u6g h LYS 586 Cb 0.33 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1u6g h LYS 586 CO 0.01 0.29 -1.49 0.93 -3.45 0.00 0.00 179.45 175.74 1u6g h GLU 587 N 0.00 0.15 -0.01 1.90 5.08 -0.08 -2.99 114.58 118.63 1u6g h GLU 587 Ca -0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1u6g h GLU 587 Cb 0.64 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1u6g h GLU 587 CO 0.04 1.12 0.02 0.00 -1.00 0.00 0.00 179.01 179.19 1u6g h ARG 588 N -0.48 0.00 0.01 2.33 2.47 -1.23 0.24 114.38 117.73 1u6g h ARG 588 Ca -0.35 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.32 1u6g h ARG 588 Cb 1.65 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.97 1u6g h ARG 588 CO -0.04 0.00 -0.20 0.00 0.56 0.00 0.00 179.97 180.30 1u6g h ALA 589 N 1.97 0.00 -0.37 0.04 0.00 -1.40 -1.20 119.26 118.31 1u6g h ALA 589 Ca 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1u6g h ALA 589 Cb 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1u6g h ALA 589 CO -0.00 0.06 0.04 0.82 0.00 0.00 0.00 179.25 180.16 1u6g h ILE 590 N -0.67 1.25 0.15 0.00 2.04 -1.13 0.22 117.51 119.37 1u6g h ILE 590 Ca -0.03 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1u6g h ILE 590 Cb 1.03 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1u6g h ILE 590 CO 0.04 0.30 -0.39 0.28 0.00 0.00 0.00 178.15 178.38 1u6g h SER 591 N 0.45 -1.16 -0.00 1.72 0.02 -0.65 0.32 113.55 114.25 1u6g h SER 591 Ca 0.11 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1u6g h SER 591 Cb 0.40 0.42 -0.05 0.00 0.14 0.00 0.00 62.40 63.30 1u6g h SER 591 CO 0.01 -0.43 -0.39 0.00 -1.14 0.00 0.00 176.83 174.88 1u6g h MET 593 N -0.54 0.52 -0.39 0.00 -1.53 -0.39 0.69 114.93 113.28 1u6g h MET 593 Ca 0.05 -0.03 0.08 0.00 -3.44 0.00 0.00 59.70 56.36 1u6g h MET 593 Cb 0.62 -0.12 -0.07 0.00 -0.55 0.00 0.00 31.60 31.48 1u6g h MET 593 CO -0.30 0.34 -0.09 0.78 0.14 0.00 0.00 176.91 177.78 1u6g h GLY 594 N 0.53 0.29 1.28 1.39 0.00 0.88 0.57 103.07 108.02 1u6g h GLY 594 Ca 0.44 0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.81 1u6g h GLY 594 CO -0.38 -0.14 -0.04 -1.61 0.00 0.00 0.00 176.54 174.36 1u6g h GLN 595 N 0.01 0.86 -0.11 4.80 5.75 0.50 0.30 115.11 127.22 1u6g h GLN 595 Ca 0.19 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1u6g h GLN 595 Cb 0.29 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1u6g h GLN 595 CO -0.40 0.89 0.04 0.82 -2.65 0.00 0.00 178.83 177.53 1u6g h ILE 596 N 0.79 1.05 0.00 2.39 2.04 0.27 -0.71 117.51 123.34 1u6g h ILE 596 Ca 0.14 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1u6g h ILE 596 Cb 0.53 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1u6g h ILE 596 CO 0.03 0.06 -0.25 0.40 0.00 0.00 0.00 178.15 178.38 1u6g h ILE 597 N 0.14 1.57 -0.43 -0.67 2.04 0.90 -3.01 117.51 118.06 1u6g h ILE 597 Ca 0.04 -2.28 0.12 0.00 1.00 0.00 0.00 64.86 63.75 1u6g h ILE 597 Cb 0.04 3.07 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 1u6g h ILE 597 CO -0.00 0.53 0.33 0.00 0.00 0.00 0.00 178.15 179.00 1u6g n ASN 599 N -4.29 2.89 -0.07 0.00 3.02 -0.30 -4.74 115.26 111.78 1u6g n ASN 599 Ca 0.07 -0.03 -0.07 0.00 -0.03 0.00 0.00 54.58 54.52 1u6g n ASN 599 Cb 0.52 0.29 -0.10 0.00 -0.61 0.00 0.00 39.78 39.87 1u6g n ASN 599 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1u6g n LEU 600 N -2.59 0.13 0.00 3.41 4.77 -1.21 -4.75 117.00 116.75 1u6g n LEU 600 Ca -0.18 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1u6g n LEU 600 Cb 0.76 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1u6g n LEU 600 CO 0.16 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1u6g n GLY 601 N 2.20 0.00 0.17 -0.72 0.00 -0.99 -0.48 105.19 105.36 1u6g n GLY 601 Ca -0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.81 1u6g n GLY 601 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1u6g h ASP 602 N 0.00 0.00 -0.11 1.61 3.04 -1.89 8.15 116.42 127.22 1u6g h ASP 602 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1u6g h ASP 602 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1u6g h ASP 602 CO 0.00 0.46 0.00 0.59 -2.04 0.00 0.00 179.24 178.25 1u6g n ASN 603 N -3.94 2.81 -4.72 4.15 5.03 0.37 -4.99 115.26 113.98 1u6g n ASN 603 Ca -0.01 -2.79 -0.42 0.00 0.87 0.00 0.00 54.58 52.23 1u6g n ASN 603 Cb 0.49 -0.38 -0.03 0.00 -1.02 0.00 0.00 39.78 38.84 1u6g n ASN 603 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1u6g s LEU 604 N -2.39 4.39 0.97 3.41 2.96 2.60 -4.99 118.68 125.63 1u6g s LEU 604 Ca 0.29 1.94 -0.20 0.00 -0.22 0.00 0.00 54.13 55.95 1u6g s LEU 604 Cb 0.24 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 1u6g s LEU 604 CO 0.06 -0.38 -0.66 0.61 -1.32 0.00 0.00 176.35 174.66 1u6g n GLY 605 N 2.96 -2.52 0.02 7.98 0.00 -1.26 -4.70 105.19 107.67 1u6g n GLY 605 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1u6g n GLY 605 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u6g n SER 606 N 1.34 0.02 -0.51 1.61 3.41 -1.26 -3.04 113.62 115.18 1u6g n SER 606 Ca 0.00 -1.21 0.02 0.00 -0.26 0.00 0.00 58.87 57.41 1u6g n SER 606 Cb 0.56 -0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.56 1u6g n SER 606 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1u6g n ASP 607 N -0.48 1.30 -0.06 4.04 8.00 -1.26 -4.09 116.55 124.01 1u6g n ASP 607 Ca 0.00 -2.09 -0.03 0.00 0.71 0.00 0.00 54.79 53.38 1u6g n ASP 607 Cb 0.00 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 40.74 1u6g n ASP 607 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1u6g h LEU 608 N 0.70 0.00 -0.63 0.64 5.85 -1.85 -3.02 115.31 116.99 1u6g h LEU 608 Ca 0.00 -0.21 0.13 0.00 0.84 0.00 0.00 57.88 58.64 1u6g h LEU 608 Cb 0.49 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 1u6g h LEU 608 CO 0.05 0.62 0.08 -0.65 -0.34 0.00 0.00 178.44 178.19 1u6g h PRO 609 N -1.00 0.19 -0.83 5.25 0.11 -1.89 0.73 132.00 134.55 1u6g h PRO 609 Ca -0.00 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.21 1u6g h PRO 609 Cb 0.23 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.21 1u6g h PRO 609 CO -0.00 0.12 0.45 -0.97 -0.21 0.00 0.00 178.00 177.39 1u6g h ASN 610 N 0.19 0.60 -0.21 -2.05 -0.00 -1.80 -0.12 115.58 112.19 1u6g h ASN 610 Ca 0.34 0.07 -0.19 0.00 -0.00 0.00 0.00 56.30 56.52 1u6g h ASN 610 Cb 0.54 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.83 1u6g h ASN 610 CO -0.48 0.31 -0.60 0.74 -0.00 0.00 0.00 177.43 177.39 1u6g h THR 611 N 0.71 1.29 -0.98 -3.57 2.02 0.06 -2.20 112.91 110.24 1u6g h THR 611 Ca 0.43 -1.80 0.04 0.00 0.77 0.00 0.00 66.41 65.84 1u6g h THR 611 Cb 0.50 1.84 -0.06 0.00 -1.74 0.00 0.00 68.15 68.69 1u6g h THR 611 CO -0.30 0.58 0.64 -0.07 0.37 0.00 0.00 175.52 176.74 1u6g h LEU 612 N 0.52 1.07 -0.22 2.58 3.38 0.86 0.11 115.31 123.61 1u6g h LEU 612 Ca -0.01 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1u6g h LEU 612 Cb 1.22 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1u6g h LEU 612 CO 0.13 0.74 0.04 -0.61 0.09 0.00 0.00 178.44 178.83 1u6g h GLN 613 N 1.24 0.13 -0.73 1.13 5.75 -0.86 -2.01 115.11 119.76 1u6g h GLN 613 Ca 0.39 -0.01 0.15 0.00 -0.15 0.00 0.00 58.65 59.03 1u6g h GLN 613 Cb -0.01 -0.03 -0.14 0.00 1.07 0.00 0.00 27.48 28.38 1u6g h GLN 613 CO -0.12 0.08 -0.13 0.82 -2.65 0.00 0.00 178.83 176.83 1u6g h ILE 614 N 0.13 0.29 0.34 2.39 1.08 -0.36 -0.96 117.51 120.43 1u6g h ILE 614 Ca 0.10 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.55 1u6g h ILE 614 Cb 0.10 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 1u6g h ILE 614 CO -0.13 0.00 -0.35 -0.26 -0.69 0.00 0.00 178.15 176.72 1u6g h PHE 615 N 0.02 -0.96 -0.71 1.37 -1.00 -0.66 0.16 116.94 115.16 1u6g h PHE 615 Ca 0.36 0.01 0.09 0.00 2.81 0.00 0.00 57.97 61.24 1u6g h PHE 615 Cb 0.58 0.38 -0.10 0.00 3.61 0.00 0.00 35.95 40.42 1u6g h PHE 615 CO -0.54 -0.46 -0.34 -0.11 -1.61 0.00 0.00 178.31 175.26 1u6g n LEU 616 N -4.49 -0.58 0.19 1.54 -0.00 -0.60 -0.40 117.00 112.66 1u6g n LEU 616 Ca -0.08 1.26 -0.10 0.00 -0.00 0.00 0.00 56.01 57.08 1u6g n LEU 616 Cb 0.32 -0.24 -0.05 0.00 -0.00 0.00 0.00 43.42 43.45 1u6g n LEU 616 CO 0.18 -1.08 0.52 -0.33 -0.00 0.00 0.00 177.39 176.67 1u6g h GLU 617 N 0.00 -0.57 -0.96 1.96 5.08 -0.69 -2.87 114.58 116.53 1u6g h GLU 617 Ca 0.19 0.04 0.30 0.00 -1.00 0.00 0.00 59.36 58.89 1u6g h GLU 617 Cb 0.37 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 29.60 1u6g h GLU 617 CO -0.69 -0.38 0.39 0.00 -1.00 0.00 0.00 179.01 177.32 1u6g h ARG 618 N -0.59 0.19 0.00 2.33 -0.00 0.22 -2.03 114.38 114.50 1u6g h ARG 618 Ca -0.04 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 1u6g h ARG 618 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.42 1u6g h ARG 618 CO -0.00 0.13 0.00 -0.11 0.00 0.00 0.00 179.97 179.99 1u6g n LEU 619 N -5.20 0.00 -1.35 3.04 7.94 0.14 -2.78 117.00 118.79 1u6g n LEU 619 Ca 0.28 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.09 1u6g n LEU 619 Cb 0.90 0.00 0.15 0.00 0.53 0.00 0.00 43.42 45.00 1u6g n LEU 619 CO 0.05 0.00 0.57 0.29 -1.11 0.00 0.00 177.39 177.19 1u6g n LYS 620 N -0.42 2.26 -0.83 1.96 5.02 -0.76 -4.52 118.16 120.86 1u6g n LYS 620 Ca 0.00 -3.46 0.00 0.00 -2.02 0.00 0.00 58.31 52.83 1u6g n LYS 620 Cb 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 1u6g n LYS 620 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u6g n ASN 621 N -1.01 1.07 0.00 4.39 4.13 -1.12 -4.99 115.26 117.72 1u6g n ASN 621 Ca 0.35 -0.54 0.00 0.00 1.68 0.00 0.00 54.58 56.07 1u6g n ASN 621 Cb 0.92 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.16 1u6g n ASN 621 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1u6g n GLU 622 N -0.25 2.59 0.00 3.52 0.00 -1.26 -4.30 120.64 120.94 1u6g n GLU 622 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 57.16 55.80 1u6g n GLU 622 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 31.44 30.51 1u6g n GLU 622 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1u6g n ILE 623 N -0.43 0.00 -0.30 6.31 2.08 -1.26 -4.81 119.36 120.95 1u6g n ILE 623 Ca 0.00 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.33 1u6g n ILE 623 Cb 0.28 -0.43 0.07 0.00 -0.75 0.00 0.00 39.64 38.81 1u6g n ILE 623 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1u6g n THR 624 N -0.91 -0.39 -0.23 1.39 -1.04 -1.26 -2.97 114.28 108.88 1u6g n THR 624 Ca 0.00 1.88 0.03 0.00 -2.04 0.00 0.00 64.05 63.92 1u6g n THR 624 Cb 0.00 -2.54 0.08 0.00 -1.82 0.00 0.00 70.33 66.05 1u6g n THR 624 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1u6g n ARG 625 N -5.25 -0.07 0.07 -2.82 0.00 -1.26 -2.11 116.66 105.22 1u6g n ARG 625 Ca 0.10 0.97 -0.21 0.00 -0.00 0.00 0.00 57.85 58.71 1u6g n ARG 625 Cb 0.36 -1.44 -0.13 0.00 0.00 0.00 0.00 32.46 31.25 1u6g n ARG 625 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1u6g h LEU 626 N 0.00 0.74 -1.25 6.15 7.12 -1.87 -3.02 115.31 123.18 1u6g h LEU 626 Ca 0.29 -0.83 -0.03 0.00 0.13 0.00 0.00 57.88 57.43 1u6g h LEU 626 Cb 0.44 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.32 1u6g h LEU 626 CO -0.64 1.50 0.18 0.74 -0.13 0.00 0.00 178.44 180.09 1u6g h THR 627 N 0.08 1.19 -0.09 1.05 2.02 -1.66 -2.45 112.91 113.05 1u6g h THR 627 Ca -0.16 -0.60 -0.20 0.00 0.77 0.00 0.00 66.41 66.23 1u6g h THR 627 Cb 1.74 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1u6g h THR 627 CO 0.20 0.23 -0.76 0.71 0.37 0.00 0.00 175.52 176.27 1u6g h THR 628 N 0.70 1.36 0.34 3.16 1.35 -1.51 -1.86 112.91 116.45 1u6g h THR 628 Ca 0.17 -2.13 -0.00 0.00 -0.55 0.00 0.00 66.41 63.90 1u6g h THR 628 Cb 0.16 2.11 -0.03 0.00 -1.73 0.00 0.00 68.15 68.65 1u6g h THR 628 CO -0.01 0.65 -0.51 0.58 -0.25 0.00 0.00 175.52 175.97 1u6g h VAL 629 N 0.33 0.02 -0.93 6.82 2.07 -1.31 0.24 116.25 123.49 1u6g h VAL 629 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1u6g h VAL 629 Cb 1.35 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1u6g h VAL 629 CO 0.14 0.00 0.60 0.07 0.02 0.00 0.00 177.57 178.40 1u6g h LYS 630 N -0.89 1.10 0.00 1.57 2.10 -1.53 0.72 116.57 119.64 1u6g h LYS 630 Ca -0.04 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.53 1u6g h LYS 630 Cb 0.82 -0.25 -0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1u6g h LYS 630 CO -0.16 0.73 -0.08 0.00 -2.00 0.00 0.00 179.45 177.94 1u6g h ALA 631 N 1.40 1.20 0.00 0.07 0.00 -0.75 -0.76 119.26 120.42 1u6g h ALA 631 Ca 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1u6g h ALA 631 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1u6g h ALA 631 CO -0.14 0.09 -0.92 -0.07 0.00 0.00 0.00 179.25 178.21 1u6g h LEU 632 N 0.00 0.00 0.00 0.00 3.38 0.16 -2.63 115.31 116.22 1u6g h LEU 632 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1u6g h LEU 632 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1u6g h LEU 632 CO 0.01 0.01 -0.50 0.74 0.09 0.00 0.00 178.44 178.79 1u6g h THR 633 N 0.00 0.65 0.00 0.22 2.02 0.30 -2.93 112.91 113.17 1u6g h THR 633 Ca -0.00 -1.94 -0.20 0.00 0.77 0.00 0.00 66.41 65.04 1u6g h THR 633 Cb 1.01 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 69.68 1u6g h THR 633 CO 0.00 0.37 -1.22 0.25 0.37 0.00 0.00 175.52 175.29 1u6g h LEU 634 N 0.00 0.00 -0.21 2.58 5.85 -1.22 -3.27 115.31 119.03 1u6g h LEU 634 Ca -0.02 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1u6g h LEU 634 Cb 1.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1u6g h LEU 634 CO 0.05 0.77 -0.42 0.40 -0.34 0.00 0.00 178.44 178.90 1u6g h ILE 635 N 0.00 0.76 -3.54 4.05 2.04 -1.47 -3.39 117.51 115.96 1u6g h ILE 635 Ca -0.13 -1.93 -0.36 0.00 1.00 0.00 0.00 64.86 63.43 1u6g h ILE 635 Cb 1.70 2.27 0.15 0.00 -0.74 0.00 0.00 36.82 40.20 1u6g h ILE 635 CO 0.08 0.41 0.35 0.00 0.00 0.00 0.00 178.15 178.99 1u6g n ALA 636 N -2.22 -1.33 -2.97 1.87 0.00 -1.11 -4.10 120.51 110.66 1u6g n ALA 636 Ca 0.02 -1.45 -0.11 0.00 0.00 0.00 0.00 53.44 51.90 1u6g n ALA 636 Cb 0.66 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 1u6g n ALA 636 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6g n GLY 637 N -2.33 -0.05 3.36 0.00 0.00 -1.26 -4.89 105.19 100.01 1u6g n GLY 637 Ca 0.14 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1u6g n GLY 637 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u6g s SER 638 N -3.13 3.67 0.09 1.61 0.15 -1.26 -5.02 113.70 109.80 1u6g s SER 638 Ca 0.05 -0.36 -0.14 0.00 0.70 0.00 0.00 55.95 56.20 1u6g s SER 638 Cb -0.03 -1.17 -0.00 0.00 -1.71 0.00 0.00 66.02 63.11 1u6g s SER 638 CO 0.32 0.24 0.76 -2.65 1.20 0.00 0.00 173.24 173.10 1u6g n PRO 639 N 3.03 -0.19 -1.85 5.44 -0.02 -1.26 -2.91 135.00 137.25 1u6g n PRO 639 Ca -0.18 0.74 -0.21 0.00 -2.02 0.00 0.00 63.50 61.83 1u6g n PRO 639 Cb 0.52 -1.10 -0.07 0.00 -0.02 0.00 0.00 33.50 32.83 1u6g n PRO 639 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u6g s LEU 640 N -9.28 2.86 -0.04 2.45 1.43 -1.26 -4.77 118.68 110.08 1u6g s LEU 640 Ca -0.06 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.11 1u6g s LEU 640 Cb 0.06 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 1u6g s LEU 640 CO 0.31 -3.61 0.94 0.29 0.23 0.00 0.00 176.35 174.51 1u6g n LYS 641 N 8.49 0.00 -2.39 1.70 5.02 -1.14 -4.79 118.16 125.05 1u6g n LYS 641 Ca 0.43 -0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 56.25 1u6g n LYS 641 Cb 0.46 -1.12 -0.04 0.00 -0.02 0.00 0.00 35.03 34.32 1u6g n LYS 641 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1u6g s ILE 642 N 1.32 3.47 -0.35 -0.18 1.01 -1.26 -4.99 121.20 120.22 1u6g s ILE 642 Ca 0.03 1.33 -0.29 0.00 0.00 0.00 0.00 60.65 61.73 1u6g s ILE 642 Cb -0.00 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1u6g s ILE 642 CO 0.01 0.26 1.22 -0.62 0.00 0.00 0.00 174.94 175.82 1u6g s ASP 643 N -0.29 6.70 -0.04 3.58 -1.08 -1.26 -4.87 116.67 119.40 1u6g s ASP 643 Ca 0.49 0.99 0.10 0.00 -0.52 0.00 0.00 52.55 53.61 1u6g s ASP 643 Cb -0.33 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 38.86 1u6g s ASP 643 CO 0.40 -1.10 1.21 0.18 0.52 0.00 0.00 175.17 176.38 1u6g n LEU 644 N 7.60 2.83 -0.25 -1.34 4.77 -1.26 -4.82 117.00 124.53 1u6g n LEU 644 Ca 0.14 -2.28 -0.12 0.00 -0.03 0.00 0.00 56.01 53.71 1u6g n LEU 644 Cb 0.47 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 1u6g n LEU 644 CO 0.64 0.66 0.49 0.03 -1.33 0.00 0.00 177.39 177.89 1u6g h ARG 645 N 1.31 -0.19 0.00 3.23 2.47 -1.98 -2.71 114.38 116.51 1u6g h ARG 645 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1u6g h ARG 645 Cb 0.83 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1u6g h ARG 645 CO 0.04 -0.13 0.00 -0.35 0.56 0.00 0.00 179.97 180.09 1u6g n PRO 646 N -5.16 0.00 0.21 0.04 -0.04 -1.26 -2.13 135.00 126.66 1u6g n PRO 646 Ca -0.01 0.75 0.13 0.00 -0.04 0.00 0.00 63.50 64.33 1u6g n PRO 646 Cb 0.28 -1.42 0.46 0.00 -0.04 0.00 0.00 33.50 32.78 1u6g n PRO 646 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1u6g h VAL 647 N 0.00 0.05 0.56 0.52 -1.51 -1.92 -2.41 116.25 111.54 1u6g h VAL 647 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1u6g h VAL 647 Cb 0.00 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 29.48 1u6g h VAL 647 CO 0.00 0.00 -0.38 -0.07 -1.23 0.00 0.00 177.57 175.89 1u6g h LEU 648 N 0.00 -0.97 -0.03 4.19 3.38 -1.09 -2.09 115.31 118.70 1u6g h LEU 648 Ca 0.11 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1u6g h LEU 648 Cb 1.55 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 1u6g h LEU 648 CO -0.00 -0.56 -0.02 0.61 0.09 0.00 0.00 178.44 178.56 1u6g n GLY 649 N -1.47 -0.45 0.00 0.83 0.00 -0.91 0.23 105.19 103.43 1u6g n GLY 649 Ca -0.11 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1u6g n GLY 649 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1u6g n GLU 650 N -2.51 0.08 0.01 1.61 0.28 -1.25 -4.45 120.64 114.41 1u6g n GLU 650 Ca 0.00 -0.02 -0.18 0.00 -0.16 0.00 0.00 57.16 56.80 1u6g n GLU 650 Cb 0.01 -1.51 -0.14 0.00 1.43 0.00 0.00 31.44 31.23 1u6g n GLU 650 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1u6g h GLY 651 N 4.87 0.23 -0.23 -1.84 0.00 -0.37 -3.10 103.07 102.63 1u6g h GLY 651 Ca 0.00 -0.60 0.10 0.00 0.00 0.00 0.00 47.33 46.84 1u6g h GLY 651 CO 0.00 0.52 -0.24 -2.08 0.00 0.00 0.00 176.54 174.75 1u6g h VAL 652 N -0.56 0.31 0.00 4.60 2.07 -0.36 0.47 116.25 122.77 1u6g h VAL 652 Ca -0.11 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1u6g h VAL 652 Cb 1.46 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1u6g h VAL 652 CO 0.10 0.00 -0.14 1.55 0.02 0.00 0.00 177.57 179.10 1u6g h PRO 653 N -0.11 0.00 0.00 1.57 0.13 -1.78 0.12 132.00 131.93 1u6g h PRO 653 Ca 0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1u6g h PRO 653 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 1u6g h PRO 653 CO -0.60 0.14 -0.01 0.82 -0.23 0.00 0.00 178.00 178.11 1u6g h ILE 654 N 0.00 0.03 0.02 -3.56 2.04 -0.11 -2.39 117.51 113.55 1u6g h ILE 654 Ca -0.00 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1u6g h ILE 654 Cb 0.37 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1u6g h ILE 654 CO 0.02 0.01 -0.01 -0.07 0.00 0.00 0.00 178.15 178.10 1u6g h LEU 655 N 0.00 -0.03 -0.91 1.44 3.38 0.17 -3.29 115.31 116.08 1u6g h LEU 655 Ca -0.00 -0.45 0.22 0.00 0.09 0.00 0.00 57.88 57.74 1u6g h LEU 655 Cb 0.78 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.41 1u6g h LEU 655 CO 0.00 0.69 0.42 0.00 0.09 0.00 0.00 178.44 179.64 1u6g h ALA 656 N -0.51 1.49 -0.94 1.53 0.00 -1.31 0.51 119.26 120.02 1u6g h ALA 656 Ca -0.00 0.16 0.28 0.00 0.00 0.00 0.00 54.91 55.35 1u6g h ALA 656 Cb 0.48 0.13 -0.16 0.00 0.00 0.00 0.00 17.79 18.24 1u6g h ALA 656 CO 0.01 -0.34 0.25 1.03 0.00 0.00 0.00 179.25 180.20 1u6g h SER 657 N 0.42 -0.04 -0.58 0.00 0.87 -1.49 0.52 113.55 113.24 1u6g h SER 657 Ca 0.57 0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 61.33 1u6g h SER 657 Cb 1.09 0.32 -0.03 0.00 -0.44 0.00 0.00 62.40 63.34 1u6g h SER 657 CO -0.52 -0.26 0.25 -0.26 -0.53 0.00 0.00 176.83 175.51 1u6g h PHE 658 N 0.13 0.89 0.00 2.24 0.04 -0.03 -3.20 116.94 117.01 1u6g h PHE 658 Ca 0.63 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.35 1u6g h PHE 658 Cb 1.38 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1u6g h PHE 658 CO -0.27 0.68 0.00 1.28 -0.60 0.00 0.00 178.31 179.40 1u6g n LEU 659 N -4.32 0.00 -0.25 1.54 4.77 0.18 -0.75 117.00 118.16 1u6g n LEU 659 Ca 0.05 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 1u6g n LEU 659 Cb 0.16 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1u6g n LEU 659 CO 0.39 0.00 0.36 0.54 -1.33 0.00 0.00 177.39 177.35 1u6g n ARG 660 N -0.17 0.64 -0.38 3.23 1.74 -1.21 -4.77 116.66 115.74 1u6g n ARG 660 Ca 0.00 -1.42 0.09 0.00 -0.77 0.00 0.00 57.85 55.74 1u6g n ARG 660 Cb 0.00 -0.83 0.27 0.00 -1.02 0.00 0.00 32.46 30.88 1u6g n ARG 660 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1u6g n LYS 661 N -0.46 2.69 -3.89 5.56 4.01 0.07 -4.93 118.16 121.21 1u6g n LYS 661 Ca 0.05 -2.16 -0.31 0.00 -0.51 0.00 0.00 58.31 55.37 1u6g n LYS 661 Cb 0.61 -1.58 -0.07 0.00 -0.51 0.00 0.00 35.03 33.48 1u6g n LYS 661 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1u6g n ASN 662 N 1.05 -0.85 -4.02 4.39 6.94 -1.26 -4.84 115.26 116.67 1u6g n ASN 662 Ca 0.20 -0.98 -0.33 0.00 -0.02 0.00 0.00 54.58 53.45 1u6g n ASN 662 Cb 0.59 -1.25 -0.12 0.00 -2.36 0.00 0.00 39.78 36.65 1u6g n ASN 662 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1u6g s GLN 663 N -6.03 2.30 0.00 -3.83 0.74 -1.26 -5.01 119.66 106.57 1u6g s GLN 663 Ca 0.48 -2.63 0.00 0.00 0.05 0.00 0.00 55.36 53.26 1u6g s GLN 663 Cb -0.28 -3.53 0.00 0.00 1.10 0.00 0.00 33.01 30.30 1u6g s GLN 663 CO 0.80 -1.15 0.00 -2.13 -0.55 0.00 0.00 175.29 172.26 1u6g n ARG 664 N 3.22 0.00 -0.30 1.67 3.00 -1.26 -0.15 116.66 122.85 1u6g n ARG 664 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.81 1u6g n ARG 664 Cb 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.72 1u6g n ARG 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1u6g h ALA 665 N 0.00 -0.57 -0.38 5.13 0.00 -1.99 -1.32 119.26 120.13 1u6g h ALA 665 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1u6g h ALA 665 Cb 0.00 1.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1u6g h ALA 665 CO 0.00 -0.96 0.09 1.25 0.00 0.00 0.00 179.25 179.63 1u6g h LEU 666 N -0.17 0.04 0.27 0.00 5.85 -0.97 0.05 115.31 120.39 1u6g h LEU 666 Ca 0.14 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1u6g h LEU 666 Cb 0.50 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1u6g h LEU 666 CO -0.80 0.06 -0.39 0.11 -0.34 0.00 0.00 178.44 177.09 1u6g h LYS 667 N 0.22 -0.66 -0.58 1.25 1.57 -0.81 0.87 116.57 118.43 1u6g h LYS 667 Ca 0.18 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 1u6g h LYS 667 Cb 0.20 0.15 -0.11 0.00 0.08 0.00 0.00 32.23 32.55 1u6g h LYS 667 CO -0.23 -0.44 -0.22 -0.07 -0.57 0.00 0.00 179.45 177.93 1u6g h LEU 668 N -0.69 -0.77 -0.18 2.94 3.38 -0.98 0.17 115.31 119.19 1u6g h LEU 668 Ca -0.03 0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 1u6g h LEU 668 Cb 0.63 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1u6g h LEU 668 CO -0.11 -0.24 -0.49 1.23 0.09 0.00 0.00 178.44 178.91 1u6g h GLY 669 N -0.07 0.71 0.81 0.83 0.00 -0.77 -0.41 103.07 104.17 1u6g h GLY 669 Ca 0.27 -0.90 0.03 0.00 0.00 0.00 0.00 47.33 46.73 1u6g h GLY 669 CO -0.63 0.81 0.29 -0.84 0.00 0.00 0.00 176.54 176.16 1u6g h THR 670 N 0.33 1.01 -0.05 4.70 2.02 0.13 -0.29 112.91 120.76 1u6g h THR 670 Ca -0.01 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1u6g h THR 670 Cb 1.11 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1u6g h THR 670 CO 0.11 0.10 0.02 -0.07 0.37 0.00 0.00 175.52 176.05 1u6g h LEU 671 N 0.56 0.07 -1.96 2.58 3.38 -0.65 -0.45 115.31 118.85 1u6g h LEU 671 Ca 0.22 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1u6g h LEU 671 Cb 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1u6g h LEU 671 CO -0.12 0.24 0.43 -1.28 0.09 0.00 0.00 178.44 177.80 1u6g h SER 672 N -0.10 0.00 0.07 -0.43 0.87 -0.50 -1.85 113.55 111.61 1u6g h SER 672 Ca 0.02 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.28 1u6g h SER 672 Cb 0.20 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1u6g h SER 672 CO -0.00 0.00 -1.63 0.00 -0.53 0.00 0.00 176.83 174.67 1u6g h ALA 673 N 1.46 0.34 0.00 6.23 0.00 -0.33 -3.21 119.26 123.75 1u6g h ALA 673 Ca 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1u6g h ALA 673 Cb 1.02 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1u6g h ALA 673 CO -0.00 1.01 0.04 1.28 0.00 0.00 0.00 179.25 181.58 1u6g n LEU 674 N -3.93 0.45 -0.05 0.00 4.77 -0.25 -2.00 117.00 115.99 1u6g n LEU 674 Ca -0.31 0.69 -0.02 0.00 -0.03 0.00 0.00 56.01 56.34 1u6g n LEU 674 Cb 0.88 -0.74 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1u6g n LEU 674 CO 0.32 -0.85 -0.13 -0.78 -1.33 0.00 0.00 177.39 174.62 1u6g h ASP 675 N 0.00 0.00 -0.55 -1.43 3.58 -1.48 -3.19 116.42 113.34 1u6g h ASP 675 Ca 0.00 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.55 1u6g h ASP 675 Cb 0.09 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.03 1u6g h ASP 675 CO 0.00 0.55 -0.36 0.16 -2.88 0.00 0.00 179.24 176.70 1u6g h ILE 676 N -0.90 0.15 0.00 2.25 -0.00 -1.44 0.44 117.51 118.01 1u6g h ILE 676 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1u6g h ILE 676 Cb 0.19 0.15 0.00 0.00 -0.00 0.00 0.00 36.82 37.16 1u6g h ILE 676 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 178.15 178.33 1u6g n LEU 677 N -5.42 0.00 -0.32 0.16 4.77 -0.85 -0.51 117.00 114.83 1u6g n LEU 677 Ca 0.03 0.82 0.30 0.00 -0.03 0.00 0.00 56.01 57.12 1u6g n LEU 677 Cb 0.35 -0.32 0.55 0.00 -2.33 0.00 0.00 43.42 41.68 1u6g n LEU 677 CO 0.01 -0.32 1.05 0.40 -1.33 0.00 0.00 177.39 177.20 1u6g h ILE 678 N 0.00 0.04 -0.17 -0.08 5.03 -1.39 0.44 117.51 121.39 1u6g h ILE 678 Ca 0.00 -0.01 -0.02 0.00 -0.12 0.00 0.00 64.86 64.71 1u6g h ILE 678 Cb 0.00 -0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 33.78 1u6g h ILE 678 CO 0.00 0.01 0.03 0.50 -0.68 0.00 0.00 178.15 178.01 1u6g h LYS 679 N 0.04 0.28 -0.56 2.37 3.64 0.14 -3.14 116.57 119.34 1u6g h LYS 679 Ca 0.82 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 60.13 1u6g h LYS 679 Cb 2.10 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 1u6g h LYS 679 CO -0.76 0.44 0.00 0.09 -2.27 0.00 0.00 179.45 176.95 1u6g n ASN 680 N -4.79 3.50 -2.78 4.20 3.02 0.23 -4.49 115.26 114.16 1u6g n ASN 680 Ca -0.05 -2.00 -0.02 0.00 -0.03 0.00 0.00 54.58 52.49 1u6g n ASN 680 Cb 0.18 -0.37 0.06 0.00 -0.61 0.00 0.00 39.78 39.04 1u6g n ASN 680 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1u6g n TYR 681 N 1.17 0.53 0.49 3.10 4.02 0.13 -4.99 117.16 121.61 1u6g n TYR 681 Ca 0.19 -2.15 -0.20 0.00 -0.01 0.00 0.00 57.90 55.73 1u6g n TYR 681 Cb 0.54 0.13 -0.10 0.00 -0.02 0.00 0.00 39.34 39.89 1u6g n TYR 681 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1u6g h SER 682 N 2.36 -1.12 -0.66 7.72 4.64 -1.73 -3.29 113.55 121.48 1u6g h SER 682 Ca -0.19 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1u6g h SER 682 Cb 1.26 0.30 -0.10 0.00 -0.31 0.00 0.00 62.40 63.55 1u6g h SER 682 CO 0.15 -0.77 -0.54 -2.24 -0.87 0.00 0.00 176.83 172.56 1u6g h ASP 683 N -1.26 -1.89 0.00 4.97 2.03 -1.92 0.21 116.42 118.57 1u6g h ASP 683 Ca -0.12 0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1u6g h ASP 683 Cb 0.98 0.82 0.00 0.00 -0.83 0.00 0.00 39.33 40.29 1u6g h ASP 683 CO 0.19 -0.33 0.00 -0.24 -1.03 0.00 0.00 179.24 177.83 1u6g n SER 684 N -5.34 0.00 -4.66 4.15 2.88 -1.24 -4.68 113.62 104.72 1u6g n SER 684 Ca -0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1u6g n SER 684 Cb 0.32 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.73 1u6g n SER 684 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1u6g s LEU 685 N -1.15 4.15 -0.19 2.46 1.43 0.74 -4.91 118.68 121.22 1u6g s LEU 685 Ca 0.00 1.06 -0.15 0.00 -1.03 0.00 0.00 54.13 54.01 1u6g s LEU 685 Cb 0.00 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 1u6g s LEU 685 CO 0.00 -0.38 0.34 0.42 0.23 0.00 0.00 176.35 176.96 1u6g s THR 686 N 2.20 5.25 0.64 5.49 -4.23 -1.26 -4.92 115.64 118.80 1u6g s THR 686 Ca 0.35 0.61 0.16 0.00 -1.18 0.00 0.00 61.69 61.63 1u6g s THR 686 Cb -0.16 -3.68 0.21 0.00 1.34 0.00 0.00 72.50 70.21 1u6g s THR 686 CO 0.11 0.31 1.31 0.00 -0.54 0.00 0.00 174.62 175.80 1u6g h ALA 687 N 7.16 2.26 -0.00 3.99 0.00 -1.97 3.09 119.26 133.78 1u6g h ALA 687 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1u6g h ALA 687 Cb 1.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1u6g h ALA 687 CO 0.72 -1.14 -0.02 0.00 0.00 0.00 0.00 179.25 178.81 1u6g n ALA 688 N -1.88 2.64 -0.11 0.00 0.00 -1.26 -3.55 120.51 116.35 1u6g n ALA 688 Ca 0.08 -0.22 -0.17 0.00 0.00 0.00 0.00 53.44 53.13 1u6g n ALA 688 Cb 1.07 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 1u6g n ALA 688 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1u6g n MET 689 N -0.97 0.54 -0.08 0.00 2.00 1.03 -4.25 117.12 115.39 1u6g n MET 689 Ca 0.19 0.31 -0.05 0.00 0.00 0.00 0.00 57.70 58.14 1u6g n MET 689 Cb 0.20 -1.52 -0.04 0.00 0.00 0.00 0.00 33.22 31.86 1u6g n MET 689 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1u6g h ILE 690 N -1.00 0.00 0.00 2.02 5.03 -1.64 0.29 117.51 122.22 1u6g h ILE 690 Ca -0.28 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 1u6g h ILE 690 Cb 1.18 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.97 1u6g h ILE 690 CO -0.17 0.00 0.00 -0.90 -0.68 0.00 0.00 178.15 176.40 1u6g n ASP 691 N -3.82 0.00 0.05 1.72 3.85 -1.23 0.59 116.55 117.71 1u6g n ASP 691 Ca -0.01 -0.29 0.12 0.00 -0.71 0.00 0.00 54.79 53.90 1u6g n ASP 691 Cb 0.13 0.00 0.25 0.00 -1.35 0.00 0.00 41.12 40.15 1u6g n ASP 691 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1u6g n ALA 692 N -0.95 2.88 -0.09 2.12 0.00 0.10 -3.44 120.51 121.14 1u6g n ALA 692 Ca 0.06 -0.22 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1u6g n ALA 692 Cb 0.03 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1u6g n ALA 692 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u6g n VAL 693 N -2.01 1.49 -0.16 0.00 0.31 0.20 -4.54 118.33 113.62 1u6g n VAL 693 Ca 0.04 0.13 0.09 0.00 -0.01 0.00 0.00 64.34 64.59 1u6g n VAL 693 Cb 0.42 -2.32 0.17 0.00 -0.91 0.00 0.00 33.84 31.19 1u6g n VAL 693 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1u6g n LEU 694 N -4.43 -0.02 0.01 7.52 4.77 -0.49 0.12 117.00 124.47 1u6g n LEU 694 Ca -0.15 0.81 0.10 0.00 -0.03 0.00 0.00 56.01 56.74 1u6g n LEU 694 Cb 0.52 -0.31 0.52 0.00 -2.33 0.00 0.00 43.42 41.81 1u6g n LEU 694 CO 0.20 -0.84 1.16 0.44 -1.33 0.00 0.00 177.39 177.02 1u6g h ASP 695 N 0.00 0.30 -0.14 -1.43 3.32 -1.79 -1.66 116.42 115.01 1u6g h ASP 695 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1u6g h ASP 695 Cb 0.68 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1u6g h ASP 695 CO -0.44 0.20 0.00 -0.62 -1.72 0.00 0.00 179.24 176.66 1u6g n GLU 696 N -4.48 1.66 0.02 3.56 -0.58 0.31 -4.50 120.64 116.63 1u6g n GLU 696 Ca 0.06 -0.99 -0.06 0.00 -0.42 0.00 0.00 57.16 55.75 1u6g n GLU 696 Cb 0.25 -1.39 -0.04 0.00 -0.57 0.00 0.00 31.44 29.69 1u6g n GLU 696 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1u6g h LEU 697 N 2.02 -0.13 -0.53 -4.62 3.38 -1.32 -3.39 115.31 110.71 1u6g h LEU 697 Ca 0.00 -0.19 0.18 0.00 0.09 0.00 0.00 57.88 57.96 1u6g h LEU 697 Cb 0.44 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 1u6g h LEU 697 CO 0.00 0.43 0.13 -2.65 0.09 0.00 0.00 178.44 176.44 1u6g n PRO 698 N -4.86 -0.04 0.23 1.13 -0.02 -1.26 0.30 135.00 130.49 1u6g n PRO 698 Ca -0.04 0.77 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 1u6g n PRO 698 Cb 0.16 -1.29 0.49 0.00 -0.02 0.00 0.00 33.50 32.83 1u6g n PRO 698 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1u6g h PRO 699 N 0.00 0.00 0.00 0.52 0.11 -1.91 -2.77 132.00 127.95 1u6g h PRO 699 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1u6g h PRO 699 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1u6g h PRO 699 CO -0.46 0.15 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.32 1u6g h LEU 700 N 0.00 0.00 -3.92 2.35 3.38 0.45 -3.32 115.31 114.25 1u6g h LEU 700 Ca -0.00 -0.01 -0.45 0.00 0.09 0.00 0.00 57.88 57.51 1u6g h LEU 700 Cb 0.72 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.30 1u6g h LEU 700 CO 0.02 0.01 0.51 -0.38 0.09 0.00 0.00 178.44 178.68 1u6g n ILE 701 N -2.63 3.10 -3.93 1.22 5.41 -1.02 -3.54 119.36 117.97 1u6g n ILE 701 Ca 0.04 -2.34 -0.31 0.00 1.00 0.00 0.00 62.75 61.15 1u6g n ILE 701 Cb 0.48 -1.38 -0.04 0.00 -0.71 0.00 0.00 39.64 37.99 1u6g n ILE 701 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1u6g s SER 702 N -0.12 6.31 0.00 4.38 0.15 -1.25 -4.75 113.70 118.42 1u6g s SER 702 Ca 0.45 0.25 0.09 0.00 0.70 0.00 0.00 55.95 57.44 1u6g s SER 702 Cb 0.33 -1.93 0.53 0.00 -1.71 0.00 0.00 66.02 63.25 1u6g s SER 702 CO -0.09 0.16 1.09 -1.84 1.20 0.00 0.00 173.24 173.77 1u6g n GLU 703 N 0.23 0.68 0.04 5.44 0.28 -1.26 -3.04 120.64 123.01 1u6g n GLU 703 Ca -0.05 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.86 1u6g n GLU 703 Cb 0.51 -1.20 -0.13 0.00 1.43 0.00 0.00 31.44 32.05 1u6g n GLU 703 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1u6g h SER 704 N 0.00 0.06 -2.62 -1.84 0.02 -1.96 -3.41 113.55 103.81 1u6g h SER 704 Ca 0.00 -0.09 -0.59 0.00 -0.84 0.00 0.00 61.79 60.27 1u6g h SER 704 Cb 0.00 -0.02 -0.39 0.00 0.14 0.00 0.00 62.40 62.13 1u6g h SER 704 CO 0.00 1.07 -0.88 -0.62 -1.14 0.00 0.00 176.83 175.26 1u6g s ASP 705 N -6.58 2.38 0.12 3.07 -1.08 -1.17 -5.01 116.67 108.41 1u6g s ASP 705 Ca -0.02 -2.95 -0.31 0.00 -0.52 0.00 0.00 52.55 48.75 1u6g s ASP 705 Cb 0.09 -0.64 -0.11 0.00 -1.46 0.00 0.00 42.92 40.80 1u6g s ASP 705 CO 0.83 -0.20 1.51 0.24 0.52 0.00 0.00 175.17 178.07 1u6g h MET 706 N 5.99 -0.43 -0.74 4.34 2.86 -1.80 0.41 114.93 125.57 1u6g h MET 706 Ca 0.18 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.92 1u6g h MET 706 Cb 0.90 0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.56 1u6g h MET 706 CO 0.41 -0.28 -0.55 1.25 1.06 0.00 0.00 176.91 178.79 1u6g h HIS 707 N -0.44 -1.74 -0.62 -0.22 6.17 -1.94 1.33 115.15 117.69 1u6g h HIS 707 Ca 0.05 0.11 0.09 0.00 0.71 0.00 0.00 60.37 61.32 1u6g h HIS 707 Cb 0.59 0.86 -0.07 0.00 2.52 0.00 0.00 27.41 31.31 1u6g h HIS 707 CO -0.66 -0.39 0.26 0.28 0.71 0.00 0.00 177.93 178.13 1u6g h VAL 708 N -0.14 0.82 0.41 5.26 2.07 -1.76 0.50 116.25 123.41 1u6g h VAL 708 Ca 0.12 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1u6g h VAL 708 Cb 0.45 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1u6g h VAL 708 CO -0.77 0.09 -0.51 0.28 0.02 0.00 0.00 177.57 176.67 1u6g h SER 709 N 0.47 -1.44 0.02 0.57 0.02 0.54 -0.53 113.55 113.20 1u6g h SER 709 Ca 0.30 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1u6g h SER 709 Cb 0.34 0.49 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 1u6g h SER 709 CO -0.27 -0.64 -0.01 0.06 -1.14 0.00 0.00 176.83 174.82 1u6g h GLN 710 N -0.95 0.00 -0.43 3.45 3.07 0.19 0.23 115.11 120.68 1u6g h GLN 710 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.66 1u6g h GLN 710 Cb 0.85 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.39 1u6g h GLN 710 CO -0.12 0.01 0.14 1.98 0.09 0.00 0.00 178.83 180.94 1u6g h MET 711 N 0.00 0.66 0.00 0.06 4.05 0.72 -0.69 114.93 119.72 1u6g h MET 711 Ca -0.00 -0.14 -0.08 0.00 -0.28 0.00 0.00 59.70 59.20 1u6g h MET 711 Cb 0.03 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 1u6g h MET 711 CO 0.00 0.64 -0.37 0.00 0.23 0.00 0.00 176.91 177.42 1u6g h ALA 712 N 0.99 0.89 0.00 0.39 0.00 -0.20 -2.83 119.26 118.49 1u6g h ALA 712 Ca 0.14 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1u6g h ALA 712 Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1u6g h ALA 712 CO -0.01 0.46 -0.73 0.82 0.00 0.00 0.00 179.25 179.79 1u6g h ILE 713 N 0.00 1.52 -0.53 0.00 2.04 -0.58 -2.79 117.51 117.17 1u6g h ILE 713 Ca -0.00 -2.51 -0.08 0.00 1.00 0.00 0.00 64.86 63.27 1u6g h ILE 713 Cb 1.03 2.35 -0.02 0.00 -0.74 0.00 0.00 36.82 39.44 1u6g h ILE 713 CO 0.05 0.72 0.03 -1.28 0.00 0.00 0.00 178.15 177.66 1u6g h SER 714 N 0.00 0.89 -0.85 1.72 0.87 -0.90 -0.48 113.55 114.80 1u6g h SER 714 Ca -0.01 -0.29 0.04 0.00 -1.23 0.00 0.00 61.79 60.30 1u6g h SER 714 Cb 1.30 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.96 1u6g h SER 714 CO 0.09 0.96 0.54 0.15 -0.53 0.00 0.00 176.83 178.05 1u6g h PHE 715 N 0.79 1.01 -0.22 2.24 3.57 -1.28 -0.32 116.94 122.73 1u6g h PHE 715 Ca 0.15 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.50 1u6g h PHE 715 Cb 0.49 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1u6g h PHE 715 CO 0.04 0.56 -0.56 -0.07 -2.23 0.00 0.00 178.31 176.05 1u6g h LEU 716 N 1.03 0.87 -2.66 0.59 3.38 -1.30 -0.81 115.31 116.41 1u6g h LEU 716 Ca 0.35 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1u6g h LEU 716 Cb 0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1u6g h LEU 716 CO -0.13 1.28 0.10 0.74 0.09 0.00 0.00 178.44 180.52 1u6g h THR 717 N 0.50 0.07 0.03 0.22 2.02 -0.18 -1.02 112.91 114.54 1u6g h THR 717 Ca -0.01 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.97 1u6g h THR 717 Cb 1.18 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1u6g h THR 717 CO 0.12 0.00 -1.05 0.74 0.37 0.00 0.00 175.52 175.70 1u6g h THR 718 N 0.00 1.12 -0.64 3.16 2.02 -0.58 -2.96 112.91 115.03 1u6g h THR 718 Ca 0.01 -2.27 0.13 0.00 0.77 0.00 0.00 66.41 65.05 1u6g h THR 718 Cb 0.20 2.60 -0.11 0.00 -1.74 0.00 0.00 68.15 69.11 1u6g h THR 718 CO -0.00 0.49 -0.02 0.25 0.37 0.00 0.00 175.52 176.61 1u6g h LEU 719 N -0.79 -0.33 -0.29 2.58 5.85 -0.08 0.61 115.31 122.86 1u6g h LEU 719 Ca -0.27 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1u6g h LEU 719 Cb 1.38 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.71 1u6g h LEU 719 CO -0.09 -0.14 0.00 0.00 -0.34 0.00 0.00 178.44 177.87 1u6g h ALA 720 N 1.59 1.00 0.20 1.25 0.00 -1.39 -0.83 119.26 121.08 1u6g h ALA 720 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.92 1u6g h ALA 720 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1u6g h ALA 720 CO -0.56 0.00 -1.45 -0.22 0.00 0.00 0.00 179.25 177.01 1u6g h LYS 721 N 0.00 0.43 -1.26 0.00 1.63 0.22 -3.36 116.57 114.22 1u6g h LYS 721 Ca 0.00 -0.74 -0.44 0.00 -0.85 0.00 0.00 60.65 58.62 1u6g h LYS 721 Cb 0.64 0.27 -0.41 0.00 -0.60 0.00 0.00 32.23 32.14 1u6g h LYS 721 CO 0.00 1.34 -1.06 1.33 -3.45 0.00 0.00 179.45 177.62 1u6g n VAL 722 N -3.63 1.34 0.00 2.00 0.24 0.69 -4.81 118.33 114.16 1u6g n VAL 722 Ca -0.15 -3.76 0.00 0.00 -2.04 0.00 0.00 64.34 58.38 1u6g n VAL 722 Cb 1.08 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 1u6g n VAL 722 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u6g n TYR 723 N -0.15 0.00 0.00 6.34 9.36 -0.33 -4.92 117.16 127.46 1u6g n TYR 723 Ca 0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.41 1u6g n TYR 723 Cb 0.75 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.46 1u6g n TYR 723 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1u6g n PRO 724 N 0.00 0.00 0.00 2.98 -0.02 -1.22 -2.82 135.00 133.92 1u6g n PRO 724 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1u6g n PRO 724 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1u6g n PRO 724 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1u6g n SER 725 N 0.00 0.00 0.06 2.55 2.88 -1.26 -1.40 113.62 116.45 1u6g n SER 725 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1u6g n SER 725 Cb 0.00 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.69 1u6g n SER 725 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1u6g n SER 726 N 0.00 0.22 -0.30 -3.46 3.41 -1.13 -3.44 113.62 108.92 1u6g n SER 726 Ca 0.00 0.60 0.27 0.00 -0.26 0.00 0.00 58.87 59.48 1u6g n SER 726 Cb 0.00 -0.63 0.51 0.00 -0.26 0.00 0.00 64.21 63.83 1u6g n SER 726 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1u6g n LEU 727 N -1.79 0.26 -0.36 1.04 4.77 -0.50 -1.24 117.00 119.18 1u6g n LEU 727 Ca -0.00 1.56 -0.08 0.00 -0.03 0.00 0.00 56.01 57.45 1u6g n LEU 727 Cb 0.02 -0.73 -0.06 0.00 -2.33 0.00 0.00 43.42 40.32 1u6g n LEU 727 CO 0.04 -1.72 0.44 -1.20 -1.33 0.00 0.00 177.39 173.62 1u6g n SER 728 N -5.15 -0.85 0.22 -1.43 7.64 -1.22 0.21 113.62 113.04 1u6g n SER 728 Ca 0.33 1.55 0.15 0.00 1.01 0.00 0.00 58.87 61.91 1u6g n SER 728 Cb 1.13 -0.23 0.80 0.00 -1.01 0.00 0.00 64.21 64.89 1u6g n SER 728 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1u6g h LYS 729 N 0.00 0.00 -4.80 1.43 1.63 -1.50 -3.33 116.57 110.01 1u6g h LYS 729 Ca 0.18 0.00 -0.70 0.00 -0.85 0.00 0.00 60.65 59.27 1u6g h LYS 729 Cb 0.39 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.95 1u6g h LYS 729 CO -0.83 0.00 2.60 -0.89 -3.45 0.00 0.00 179.45 176.88 1u6g n ILE 730 N -2.57 3.75 0.00 2.00 2.08 0.55 -3.30 119.36 121.87 1u6g n ILE 730 Ca -0.02 -3.64 0.00 0.00 0.56 0.00 0.00 62.75 59.66 1u6g n ILE 730 Cb 0.08 -2.48 0.00 0.00 -0.75 0.00 0.00 39.64 36.49 1u6g n ILE 730 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1u6g n SER 731 N 6.93 0.00 0.00 4.38 2.88 -1.25 -4.68 113.62 121.88 1u6g n SER 731 Ca 0.49 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1u6g n SER 731 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1u6g n SER 731 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u6g n GLY 732 N -0.62 -1.07 0.10 0.46 0.00 -1.21 -4.08 105.19 98.78 1u6g n GLY 732 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1u6g n GLY 732 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1u6g h SER 733 N 0.00 0.04 -0.08 1.61 0.02 -1.89 -3.33 113.55 109.92 1u6g h SER 733 Ca 0.00 -0.67 0.01 0.00 -0.84 0.00 0.00 61.79 60.29 1u6g h SER 733 Cb 0.00 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1u6g h SER 733 CO 0.00 1.39 -0.05 -0.38 -1.14 0.00 0.00 176.83 176.65 1u6g n ILE 734 N -4.41 -0.06 0.05 3.27 5.41 -1.26 -0.19 119.36 122.17 1u6g n ILE 734 Ca -0.26 0.69 -0.12 0.00 1.00 0.00 0.00 62.75 64.06 1u6g n ILE 734 Cb 0.66 -0.91 -0.08 0.00 -0.71 0.00 0.00 39.64 38.61 1u6g n ILE 734 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1u6g h LEU 735 N 0.00 -0.05 -3.54 1.39 7.12 -1.77 -2.31 115.31 116.14 1u6g h LEU 735 Ca 0.01 -0.07 -0.05 0.00 0.13 0.00 0.00 57.88 57.90 1u6g h LEU 735 Cb 0.03 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.16 1u6g h LEU 735 CO -0.08 0.03 -0.08 0.59 -0.13 0.00 0.00 178.44 178.78 1u6g n ASN 736 N -5.08 4.30 0.00 1.25 5.03 0.73 -2.01 115.26 119.48 1u6g n ASN 736 Ca -0.08 -2.20 0.00 0.00 0.87 0.00 0.00 54.58 53.18 1u6g n ASN 736 Cb 0.08 -1.00 0.00 0.00 -1.02 0.00 0.00 39.78 37.84 1u6g n ASN 736 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1u6g n GLU 737 N 1.95 1.42 0.01 3.52 4.07 -0.41 -4.65 120.64 126.55 1u6g n GLU 737 Ca 0.12 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 57.03 1u6g n GLU 737 Cb 0.53 -0.23 -0.14 0.00 -0.06 0.00 0.00 31.44 31.53 1u6g n GLU 737 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1u6g h LEU 738 N 0.00 0.33 -1.88 4.31 3.38 -0.96 -2.28 115.31 118.21 1u6g h LEU 738 Ca 0.00 -0.91 0.15 0.00 0.09 0.00 0.00 57.88 57.21 1u6g h LEU 738 Cb 0.00 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1u6g h LEU 738 CO 0.00 1.37 0.41 -0.29 0.09 0.00 0.00 178.44 180.02 1u6g h ILE 739 N -0.52 0.76 0.03 1.22 6.09 -1.71 0.31 117.51 123.69 1u6g h ILE 739 Ca -0.16 -0.04 -0.25 0.00 -1.37 0.00 0.00 64.86 63.04 1u6g h ILE 739 Cb 1.52 0.63 0.02 0.00 0.47 0.00 0.00 36.82 39.46 1u6g h ILE 739 CO 0.08 0.02 -1.00 1.23 -3.07 0.00 0.00 178.15 175.41 1u6g h GLY 740 N 0.12 0.69 2.00 8.18 0.00 -1.80 -3.08 103.07 109.18 1u6g h GLY 740 Ca 0.28 -1.28 0.00 0.00 0.00 0.00 0.00 47.33 46.33 1u6g h GLY 740 CO -0.03 1.13 0.00 -2.00 0.00 0.00 0.00 176.54 175.63 1u6g h LEU 741 N 0.24 0.00 -0.27 3.11 6.46 0.07 -1.44 115.31 123.48 1u6g h LEU 741 Ca -0.13 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.42 1u6g h LEU 741 Cb 1.67 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.61 1u6g h LEU 741 CO 0.19 0.00 -0.69 0.58 -0.62 0.00 0.00 178.44 177.91 1u6g h VAL 742 N 0.00 1.29 0.00 1.05 2.07 -0.63 -3.15 116.25 116.88 1u6g h VAL 742 Ca 0.00 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1u6g h VAL 742 Cb 0.22 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1u6g h VAL 742 CO 0.00 0.61 0.00 0.54 0.02 0.00 0.00 177.57 178.74 1u6g n ARG 743 N -3.94 1.00 -4.91 1.57 1.74 -0.54 -4.63 116.66 106.95 1u6g n ARG 743 Ca -0.06 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.70 1u6g n ARG 743 Cb 0.70 -1.00 -0.14 0.00 -1.02 0.00 0.00 32.46 30.99 1u6g n ARG 743 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1u6g s SER 744 N 1.21 3.86 0.46 0.55 0.15 -1.19 -4.85 113.70 113.89 1u6g s SER 744 Ca 0.00 -0.31 0.31 0.00 0.70 0.00 0.00 55.95 56.65 1u6g s SER 744 Cb 0.00 -1.18 1.36 0.00 -1.71 0.00 0.00 66.02 64.48 1u6g s SER 744 CO 0.00 0.25 1.92 -0.65 1.20 0.00 0.00 173.24 175.96 1u6g h PRO 745 N 6.06 0.00 0.00 5.44 0.11 -1.91 -2.77 132.00 138.93 1u6g h PRO 745 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1u6g h PRO 745 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1u6g h PRO 745 CO 0.52 0.00 -0.71 1.28 -0.21 0.00 0.00 178.00 178.88 1u6g n LEU 746 N -2.76 0.63 -4.68 2.35 4.77 -1.26 -4.89 117.00 111.16 1u6g n LEU 746 Ca 0.01 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 1u6g n LEU 746 Cb 0.24 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1u6g n LEU 746 CO 0.23 0.02 1.18 -0.22 -1.33 0.00 0.00 177.39 177.27 1u6g s LEU 747 N -3.86 4.29 0.20 2.23 2.96 -1.04 -4.98 118.68 118.48 1u6g s LEU 747 Ca 0.07 2.08 -0.20 0.00 -0.22 0.00 0.00 54.13 55.85 1u6g s LEU 747 Cb 0.15 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.33 1u6g s LEU 747 CO 0.74 -0.78 0.60 0.00 -1.32 0.00 0.00 176.35 175.58 1u6g s GLN 748 N 3.02 1.45 0.00 1.98 -2.07 -1.26 -4.93 119.66 117.86 1u6g s GLN 748 Ca 0.65 -0.76 0.00 0.00 -1.82 0.00 0.00 55.36 53.43 1u6g s GLN 748 Cb -0.30 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 1u6g s GLN 748 CO 0.25 -0.64 0.00 0.41 -1.32 0.00 0.00 175.29 174.00 1u6g n GLY 749 N -0.38 1.05 0.00 2.60 0.00 -1.26 -3.18 105.19 104.02 1u6g n GLY 749 Ca -0.11 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1u6g n GLY 749 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6g n GLY 750 N 0.00 0.00 0.23 -0.02 0.00 -1.26 0.86 105.19 105.00 1u6g n GLY 750 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1u6g n GLY 750 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6g h ALA 751 N 0.00 0.50 -0.86 4.61 0.00 -1.86 -2.71 119.26 118.94 1u6g h ALA 751 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1u6g h ALA 751 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1u6g h ALA 751 CO 0.00 0.48 0.57 1.25 0.00 0.00 0.00 179.25 181.55 1u6g h LEU 752 N 0.56 0.98 -0.90 0.00 5.85 0.47 0.62 115.31 122.89 1u6g h LEU 752 Ca 0.07 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1u6g h LEU 752 Cb 0.78 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1u6g h LEU 752 CO 0.06 0.71 0.53 0.28 -0.34 0.00 0.00 178.44 179.68 1u6g h SER 753 N 1.16 1.10 0.79 1.25 0.02 -0.70 -0.53 113.55 116.64 1u6g h SER 753 Ca 0.32 -0.08 -0.16 0.00 -0.84 0.00 0.00 61.79 61.03 1u6g h SER 753 Cb -0.12 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.11 1u6g h SER 753 CO -0.07 0.86 -0.75 0.00 -1.14 0.00 0.00 176.83 175.72 1u6g h ALA 754 N 1.29 0.74 -0.10 3.77 0.00 -1.01 -0.34 119.26 123.60 1u6g h ALA 754 Ca 0.32 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1u6g h ALA 754 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1u6g h ALA 754 CO -0.06 0.94 -0.43 1.98 0.00 0.00 0.00 179.25 181.67 1u6g h MET 755 N 0.00 0.24 0.07 0.00 -1.53 0.82 -0.36 114.93 114.18 1u6g h MET 755 Ca -0.01 -0.12 -0.13 0.00 -3.44 0.00 0.00 59.70 56.00 1u6g h MET 755 Cb 1.35 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 32.41 1u6g h MET 755 CO 0.10 0.64 -0.57 -0.07 0.14 0.00 0.00 176.91 177.15 1u6g h LEU 756 N 0.20 0.37 -1.77 3.39 3.38 -0.91 -3.07 115.31 116.90 1u6g h LEU 756 Ca 0.02 -0.90 -0.03 0.00 0.09 0.00 0.00 57.88 57.05 1u6g h LEU 756 Cb 0.85 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1u6g h LEU 756 CO 0.07 1.24 -0.14 0.44 0.09 0.00 0.00 178.44 180.13 1u6g h ASP 757 N -0.44 0.00 0.59 -0.43 3.32 -0.99 -2.63 116.42 115.85 1u6g h ASP 757 Ca -0.09 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1u6g h ASP 757 Cb 1.39 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.95 1u6g h ASP 757 CO 0.11 0.14 -0.29 0.15 -1.72 0.00 0.00 179.24 177.64 1u6g h PHE 758 N 0.00 -0.74 -0.48 4.55 3.57 -1.08 -3.07 116.94 119.70 1u6g h PHE 758 Ca -0.00 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.57 1u6g h PHE 758 Cb 0.27 0.24 -0.10 0.00 2.79 0.00 0.00 35.95 39.16 1u6g h PHE 758 CO 0.00 -0.46 -0.34 0.74 -2.23 0.00 0.00 178.31 176.02 1u6g h PHE 759 N -0.96 -0.95 -0.17 0.41 -1.00 -1.48 0.48 116.94 113.27 1u6g h PHE 759 Ca -0.08 0.06 0.05 0.00 2.81 0.00 0.00 57.97 60.81 1u6g h PHE 759 Cb 0.61 0.49 -0.01 0.00 3.61 0.00 0.00 35.95 40.65 1u6g h PHE 759 CO 0.05 -0.39 0.50 1.96 -1.61 0.00 0.00 178.31 178.82 1u6g h GLN 760 N -0.22 0.00 -0.28 1.51 4.20 -1.51 0.47 115.11 119.27 1u6g h GLN 760 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1u6g h GLN 760 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1u6g h GLN 760 CO -0.60 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.56 1u6g n ALA 761 N -1.97 2.65 -0.07 3.87 0.00 0.12 -4.19 120.51 120.93 1u6g n ALA 761 Ca 0.02 -1.86 -0.08 0.00 0.00 0.00 0.00 53.44 51.52 1u6g n ALA 761 Cb 0.59 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 1u6g n ALA 761 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1u6g n LEU 762 N -0.16 1.49 -0.03 0.00 7.94 0.16 -4.50 117.00 121.90 1u6g n LEU 762 Ca 0.17 -0.04 -0.16 0.00 -1.11 0.00 0.00 56.01 54.87 1u6g n LEU 762 Cb 0.70 -0.12 -0.08 0.00 0.53 0.00 0.00 43.42 44.45 1u6g n LEU 762 CO 0.12 0.52 0.36 -0.37 -1.11 0.00 0.00 177.39 176.91 1u6g h VAL 763 N 0.00 1.35 -0.27 1.96 -1.51 -1.67 -3.10 116.25 113.01 1u6g h VAL 763 Ca -0.32 -1.83 0.08 0.00 -1.23 0.00 0.00 66.70 63.39 1u6g h VAL 763 Cb 1.62 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 32.92 1u6g h VAL 763 CO -0.02 0.56 0.37 0.58 -1.23 0.00 0.00 177.57 177.83 1u6g h VAL 764 N 0.18 0.30 0.00 7.19 2.07 -1.82 -0.29 116.25 123.89 1u6g h VAL 764 Ca -0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1u6g h VAL 764 Cb 1.17 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1u6g h VAL 764 CO 0.11 0.00 -0.24 0.71 0.02 0.00 0.00 177.57 178.17 1u6g h THR 765 N 0.00 0.73 -3.82 2.57 1.35 -1.77 -3.49 112.91 108.49 1u6g h THR 765 Ca 0.13 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1u6g h THR 765 Cb 0.86 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1u6g h THR 765 CO -0.00 0.23 -0.66 0.61 -0.25 0.00 0.00 175.52 175.45 1u6g n GLY 766 N -0.25 -4.85 3.47 5.82 0.00 -0.12 -5.03 105.19 104.22 1u6g n GLY 766 Ca -0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1u6g n GLY 766 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u6g s THR 767 N -0.40 -0.01 -0.16 2.61 2.01 -1.26 -5.06 115.64 113.37 1u6g s THR 767 Ca -0.00 0.02 -0.34 0.00 0.31 0.00 0.00 61.69 61.69 1u6g s THR 767 Cb 0.00 -0.81 -0.11 0.00 0.01 0.00 0.00 72.50 71.60 1u6g s THR 767 CO 0.00 0.01 1.99 0.59 -0.69 0.00 0.00 174.62 176.53 1u6g n ASN 768 N 3.53 3.17 -2.12 3.53 3.02 -1.26 -1.58 115.26 123.54 1u6g n ASN 768 Ca -0.18 0.75 -0.13 0.00 -0.03 0.00 0.00 54.58 55.00 1u6g n ASN 768 Cb 0.57 -1.38 0.04 0.00 -0.61 0.00 0.00 39.78 38.40 1u6g n ASN 768 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1u6g n ASN 769 N 8.02 -4.31 -2.06 6.41 3.02 -1.26 -4.90 115.26 120.18 1u6g n ASN 769 Ca 0.27 -0.28 -0.03 0.00 -0.03 0.00 0.00 54.58 54.51 1u6g n ASN 769 Cb 0.30 -2.88 0.06 0.00 -0.61 0.00 0.00 39.78 36.65 1u6g n ASN 769 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1u6g n LEU 770 N -2.87 -1.19 -5.02 3.41 4.32 -0.62 -4.95 117.00 110.09 1u6g n LEU 770 Ca 0.00 -2.62 -0.21 0.00 -0.02 0.00 0.00 56.01 53.16 1u6g n LEU 770 Cb 0.53 0.13 0.09 0.00 -1.62 0.00 0.00 43.42 42.55 1u6g n LEU 770 CO 0.34 1.57 0.45 -0.83 -1.22 0.00 0.00 177.39 177.69 1u6g s GLY 771 N -0.97 1.72 0.00 -0.72 0.00 -1.24 -4.50 107.32 101.62 1u6g s GLY 771 Ca 0.06 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 42.73 1u6g s GLY 771 CO -0.08 -1.51 0.48 2.98 0.00 0.00 0.00 173.10 174.97 1u6g n TYR 772 N -2.52 0.00 -0.31 1.90 9.36 -1.26 -0.10 117.16 124.23 1u6g n TYR 772 Ca 0.16 0.00 0.28 0.00 3.32 0.00 0.00 57.90 61.66 1u6g n TYR 772 Cb 0.61 0.00 0.62 0.00 -0.63 0.00 0.00 39.34 39.94 1u6g n TYR 772 CO 0.00 0.00 0.00 1.98 0.22 0.00 0.00 176.86 179.06 1u6g h MET 773 N 0.00 0.20 0.18 2.98 4.05 -1.98 0.24 114.93 120.60 1u6g h MET 773 Ca 0.00 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1u6g h MET 773 Cb 0.00 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 1u6g h MET 773 CO 0.00 0.13 -0.28 -0.44 0.23 0.00 0.00 176.91 176.55 1u6g h ASP 774 N 0.21 -0.78 -0.50 1.39 3.32 -1.62 -2.96 116.42 115.47 1u6g h ASP 774 Ca 0.56 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.57 1u6g h ASP 774 Cb 1.80 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 41.62 1u6g h ASP 774 CO -0.16 -0.38 -0.18 -0.07 -1.72 0.00 0.00 179.24 176.73 1u6g h LEU 775 N -0.53 1.03 -0.27 1.55 3.38 0.15 -3.01 115.31 117.61 1u6g h LEU 775 Ca 0.01 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.67 1u6g h LEU 775 Cb 0.53 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1u6g h LEU 775 CO -0.12 1.17 -0.23 -0.07 0.09 0.00 0.00 178.44 179.28 1u6g h LEU 776 N 0.87 -0.74 -1.71 1.67 3.38 -1.27 0.24 115.31 117.75 1u6g h LEU 776 Ca 0.12 0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.37 1u6g h LEU 776 Cb 0.75 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 1u6g h LEU 776 CO 0.06 -0.26 0.44 0.03 0.09 0.00 0.00 178.44 178.80 1u6g h ARG 777 N -0.22 0.29 -0.45 1.13 3.08 -1.48 0.15 114.38 116.87 1u6g h ARG 777 Ca 0.15 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 1u6g h ARG 777 Cb 0.45 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1u6g h ARG 777 CO -0.40 0.19 -0.24 0.52 -1.07 0.00 0.00 179.97 178.97 1u6g h MET 778 N 0.30 0.95 0.06 0.04 2.86 -0.45 -0.64 114.93 118.04 1u6g h MET 778 Ca 0.31 -0.41 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1u6g h MET 778 Cb 0.81 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1u6g h MET 778 CO -0.08 1.08 -0.03 -0.07 1.06 0.00 0.00 176.91 178.87 1u6g h LEU 779 N 0.81 -0.07 0.00 1.22 3.38 0.25 -3.33 115.31 117.57 1u6g h LEU 779 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1u6g h LEU 779 Cb 0.81 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1u6g h LEU 779 CO 0.07 0.04 0.00 0.35 0.09 0.00 0.00 178.44 178.99 1u6g n THR 780 N -2.70 0.00 0.00 0.22 -2.24 0.33 -4.20 114.28 105.69 1u6g n THR 780 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1u6g n THR 780 Cb 0.03 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1u6g n THR 780 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u6g n GLY 781 N 0.03 -1.29 0.41 3.38 0.00 -0.25 -2.67 105.19 104.79 1u6g n GLY 781 Ca 0.01 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.35 1u6g n GLY 781 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u6g n PRO 782 N -0.48 -0.01 -0.03 1.61 -0.02 -1.26 0.13 135.00 134.94 1u6g n PRO 782 Ca 0.00 0.78 -0.14 0.00 -2.02 0.00 0.00 63.50 62.12 1u6g n PRO 782 Cb 0.00 -1.68 -0.10 0.00 -0.02 0.00 0.00 33.50 31.70 1u6g n PRO 782 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1u6g h VAL 783 N 0.00 1.47 -0.37 -1.45 2.07 -1.82 -3.33 116.25 112.82 1u6g h VAL 783 Ca 0.62 -1.57 -0.68 0.00 0.82 0.00 0.00 66.70 65.89 1u6g h VAL 783 Cb 2.27 2.43 -0.05 0.00 -1.52 0.00 0.00 31.29 34.41 1u6g h VAL 783 CO -0.14 0.43 2.65 -1.22 0.02 0.00 0.00 177.57 179.31 1u6g n TYR 784 N -4.65 3.91 -0.32 1.57 4.02 0.35 -3.09 117.16 118.95 1u6g n TYR 784 Ca -0.09 -2.83 0.00 0.00 -0.01 0.00 0.00 57.90 54.98 1u6g n TYR 784 Cb 0.38 -2.56 0.00 0.00 -0.02 0.00 0.00 39.34 37.14 1u6g n TYR 784 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1u6g n SER 785 N 7.37 0.00 0.00 7.72 7.64 -1.25 -4.91 113.62 130.19 1u6g n SER 785 Ca 0.50 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1u6g n SER 785 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1u6g n SER 785 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u6g n GLN 786 N 0.00 0.00 0.08 1.43 3.00 -1.18 -5.15 117.38 115.56 1u6g n GLN 786 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1u6g n GLN 786 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1u6g n GLN 786 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1u6g n THR 791 N -0.26 0.00 -4.42 5.09 -2.24 -1.26 -4.98 114.28 106.21 1u6g n THR 791 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1u6g n THR 791 Cb 0.00 -0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 67.89 1u6g n THR 791 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1u6g s HIS 792 N -2.00 1.15 0.32 4.78 3.76 -1.26 -5.04 115.29 117.00 1u6g s HIS 792 Ca 0.00 -0.39 0.10 0.00 -0.15 0.00 0.00 55.06 54.62 1u6g s HIS 792 Cb 0.00 -0.89 0.96 0.00 1.11 0.00 0.00 32.58 33.76 1u6g s HIS 792 CO 0.00 -0.23 1.64 0.87 -0.85 0.00 0.00 174.74 176.16 1u6g h LYS 793 N 7.02 0.20 -0.87 1.40 1.57 -2.01 0.19 116.57 124.06 1u6g h LYS 793 Ca -0.34 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1u6g h LYS 793 Cb 1.17 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 1u6g h LYS 793 CO 0.48 0.13 0.48 0.37 -0.57 0.00 0.00 179.45 180.34 1u6g h GLN 794 N 0.21 1.22 -0.38 3.15 5.75 -1.92 -3.04 115.11 120.09 1u6g h GLN 794 Ca 0.68 -0.14 0.04 0.00 -0.15 0.00 0.00 58.65 59.07 1u6g h GLN 794 Cb 1.52 -0.24 -0.06 0.00 1.07 0.00 0.00 27.48 29.77 1u6g h GLN 794 CO -0.68 0.89 -0.35 0.77 -2.65 0.00 0.00 178.83 176.81 1u6g h SER 795 N 1.22 -1.22 -0.63 -0.69 0.02 -0.86 -0.29 113.55 111.10 1u6g h SER 795 Ca 0.31 0.17 0.13 0.00 -0.84 0.00 0.00 61.79 61.55 1u6g h SER 795 Cb 0.03 0.51 -0.09 0.00 0.14 0.00 0.00 62.40 62.99 1u6g h SER 795 CO -0.05 -0.21 0.11 1.88 -1.14 0.00 0.00 176.83 177.42 1u6g h TYR 796 N -0.16 0.17 -0.92 3.45 -1.99 -1.59 0.11 116.97 116.03 1u6g h TYR 796 Ca 0.06 0.04 0.08 0.00 2.00 0.00 0.00 58.73 60.91 1u6g h TYR 796 Cb 0.33 0.02 -0.06 0.00 2.00 0.00 0.00 36.73 39.02 1u6g h TYR 796 CO -0.79 -0.07 0.60 1.88 -0.00 0.00 0.00 178.16 179.78 1u6g h TYR 797 N 0.23 1.05 -0.08 4.88 -1.99 -1.01 0.16 116.97 120.20 1u6g h TYR 797 Ca 0.34 0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.97 1u6g h TYR 797 Cb 0.53 -0.34 0.01 0.00 2.00 0.00 0.00 36.73 38.92 1u6g h TYR 797 CO -0.27 0.52 -0.44 0.77 -0.00 0.00 0.00 178.16 178.74 1u6g h SER 798 N 1.01 0.53 -0.18 3.88 0.02 0.23 -2.50 113.55 116.54 1u6g h SER 798 Ca 0.41 -0.65 0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1u6g h SER 798 Cb 0.26 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1u6g h SER 798 CO -0.16 1.10 -0.09 0.40 -1.14 0.00 0.00 176.83 176.94 1u6g h ILE 799 N 0.00 0.72 -0.46 3.27 2.04 -0.13 -0.56 117.51 122.39 1u6g h ILE 799 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1u6g h ILE 799 Cb 1.09 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1u6g h ILE 799 CO 0.09 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.43 1u6g h ALA 800 N 1.08 1.46 -0.26 1.87 0.00 -0.78 0.28 119.26 122.91 1u6g h ALA 800 Ca 0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1u6g h ALA 800 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1u6g h ALA 800 CO -0.22 0.42 -0.09 0.87 0.00 0.00 0.00 179.25 180.22 1u6g h LYS 801 N 0.66 0.42 0.04 0.00 1.57 -0.68 -0.86 116.57 117.72 1u6g h LYS 801 Ca 0.16 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1u6g h LYS 801 Cb 0.13 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1u6g h LYS 801 CO -0.02 0.52 -0.02 0.00 -0.57 0.00 0.00 179.45 179.36 1u6g h VAL 803 N -0.85 0.10 -0.17 0.00 2.07 -0.89 0.62 116.25 117.13 1u6g h VAL 803 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1u6g h VAL 803 Cb 0.67 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1u6g h VAL 803 CO 0.01 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.69 1u6g h ALA 804 N 1.38 0.20 0.13 1.67 0.00 -1.19 0.29 119.26 121.74 1u6g h ALA 804 Ca 0.33 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1u6g h ALA 804 Cb 0.59 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1u6g h ALA 804 CO -0.85 -0.33 -0.48 0.00 0.00 0.00 0.00 179.25 177.59 1u6g h ALA 805 N 1.08 -0.97 0.00 0.00 0.00 0.45 0.60 119.26 120.42 1u6g h ALA 805 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u6g h ALA 805 Cb -0.00 0.85 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1u6g h ALA 805 CO -0.03 -1.08 0.13 -0.07 0.00 0.00 0.00 179.25 178.20 1u6g h LEU 806 N -0.69 0.00 0.00 0.00 3.38 0.29 -2.10 115.31 116.19 1u6g h LEU 806 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1u6g h LEU 806 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1u6g h LEU 806 CO -0.25 0.00 -0.90 0.74 0.09 0.00 0.00 178.44 178.12 1u6g h THR 807 N 0.00 0.82 0.00 0.22 2.02 0.22 -3.22 112.91 112.97 1u6g h THR 807 Ca 0.00 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.25 1u6g h THR 807 Cb 0.26 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1u6g h THR 807 CO 0.00 0.28 0.00 -2.11 0.37 0.00 0.00 175.52 174.06 1u6g n ARG 808 N -4.51 0.02 -0.03 6.66 1.85 0.85 -1.48 116.66 120.02 1u6g n ARG 808 Ca -0.23 0.35 -0.18 0.00 -1.00 0.00 0.00 57.85 56.78 1u6g n ARG 808 Cb 0.55 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.33 1u6g n ARG 808 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1u6g h ALA 809 N 2.11 0.05 -2.21 2.89 0.00 -1.51 -3.40 119.26 117.19 1u6g h ALA 809 Ca 0.00 -0.77 -0.62 0.00 0.00 0.00 0.00 54.91 53.52 1u6g h ALA 809 Cb 0.03 0.24 -0.41 0.00 0.00 0.00 0.00 17.79 17.65 1u6g h ALA 809 CO 0.00 0.36 -0.48 0.00 0.00 0.00 0.00 179.25 179.13 1u6g n PRO 811 N 0.93 0.00 -3.32 0.00 -0.04 -1.15 -4.51 135.00 126.90 1u6g n PRO 811 Ca 0.29 -0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 63.22 1u6g n PRO 811 Cb 0.40 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 1u6g n PRO 811 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1u6g n LYS 812 N 3.01 3.56 -4.60 0.54 2.85 -1.26 -5.02 118.16 117.24 1u6g n LYS 812 Ca 0.00 -4.49 -0.24 0.00 -1.05 0.00 0.00 58.31 52.52 1u6g n LYS 812 Cb 0.00 -2.51 -0.14 0.00 -0.65 0.00 0.00 35.03 31.73 1u6g n LYS 812 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1u6g s GLU 813 N -1.70 1.30 0.00 -1.58 0.41 -1.26 -4.70 118.70 111.17 1u6g s GLU 813 Ca 0.31 -0.89 0.00 0.00 -0.41 0.00 0.00 54.97 53.98 1u6g s GLU 813 Cb -0.05 -1.39 0.00 0.00 -1.78 0.00 0.00 34.13 30.91 1u6g s GLU 813 CO -0.04 0.35 0.00 0.41 -0.49 0.00 0.00 175.26 175.49 1u6g n GLY 814 N 1.90 0.88 0.33 -1.39 0.00 -1.26 -4.97 105.19 100.68 1u6g n GLY 814 Ca -0.17 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 1u6g n GLY 814 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u6g h PRO 815 N 0.00 -0.14 0.88 1.61 0.13 -1.97 2.20 132.00 134.71 1u6g h PRO 815 Ca 0.00 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 1u6g h PRO 815 Cb 0.00 0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.17 1u6g h PRO 815 CO 0.00 -0.09 -0.42 0.00 -0.23 0.00 0.00 178.00 177.26 1u6g h ALA 816 N -0.10 -1.18 -0.53 -0.56 0.00 -1.92 0.72 119.26 115.69 1u6g h ALA 816 Ca 0.09 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1u6g h ALA 816 Cb 0.37 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1u6g h ALA 816 CO -0.58 -1.14 0.18 0.28 0.00 0.00 0.00 179.25 177.99 1u6g h VAL 817 N -1.24 0.79 -0.32 0.00 2.07 -1.79 -0.46 116.25 115.31 1u6g h VAL 817 Ca -0.12 -0.12 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 1u6g h VAL 817 Cb 0.91 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1u6g h VAL 817 CO 0.20 0.06 -0.38 0.58 0.02 0.00 0.00 177.57 178.05 1u6g h VAL 818 N 0.35 1.29 0.00 2.57 2.07 0.36 -1.94 116.25 120.94 1u6g h VAL 818 Ca 0.26 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1u6g h VAL 818 Cb 0.31 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1u6g h VAL 818 CO -0.28 0.51 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1u6g n GLY 819 N 0.21 0.11 0.00 2.17 0.00 0.25 -0.55 105.19 107.38 1u6g n GLY 819 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1u6g n GLY 819 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u6g n GLN 820 N 0.01 -0.37 -0.09 1.61 -0.06 -0.54 -4.65 117.38 113.29 1u6g n GLN 820 Ca 0.00 -0.48 -0.17 0.00 -2.00 0.00 0.00 57.00 54.35 1u6g n GLN 820 Cb 0.04 -0.87 -0.07 0.00 -4.06 0.00 0.00 30.24 25.27 1u6g n GLN 820 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1u6g n PHE 821 N -0.05 0.00 -0.16 3.69 0.99 0.28 -4.15 117.46 118.06 1u6g n PHE 821 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1u6g n PHE 821 Cb 0.09 -0.66 0.00 0.00 -1.00 0.00 0.00 39.48 37.92 1u6g n PHE 821 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 1u6g n ILE 822 N -3.56 1.38 0.00 4.37 2.08 -1.16 0.12 119.36 122.59 1u6g n ILE 822 Ca -0.34 -0.31 0.00 0.00 0.56 0.00 0.00 62.75 62.66 1u6g n ILE 822 Cb 0.78 -1.29 0.00 0.00 -0.75 0.00 0.00 39.64 38.38 1u6g n ILE 822 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1u6g n GLN 823 N 1.43 2.40 0.00 0.38 1.13 -1.26 -4.30 117.38 117.15 1u6g n GLN 823 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1u6g n GLN 823 Cb 0.38 -0.80 0.00 0.00 0.11 0.00 0.00 30.24 29.93 1u6g n GLN 823 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1u6g n ASP 824 N -1.15 0.00 -0.38 1.08 10.43 0.33 -4.38 116.55 122.48 1u6g n ASP 824 Ca 0.00 0.00 0.32 0.00 2.57 0.00 0.00 54.79 57.68 1u6g n ASP 824 Cb 0.15 -0.35 0.58 0.00 1.84 0.00 0.00 41.12 43.35 1u6g n ASP 824 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1u6g h VAL 825 N 0.00 0.14 0.00 2.53 2.07 -1.22 0.60 116.25 120.38 1u6g h VAL 825 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1u6g h VAL 825 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1u6g h VAL 825 CO 0.00 0.02 0.00 1.17 0.02 0.00 0.00 177.57 178.78 1u6g n LYS 826 N -4.94 0.00 -0.25 1.57 3.00 -1.23 -4.05 118.16 112.26 1u6g n LYS 826 Ca 0.36 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.70 1u6g n LYS 826 Cb 1.26 -1.42 0.13 0.00 0.00 0.00 0.00 35.03 35.00 1u6g n LYS 826 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.40 174.45 1u6g h ASN 827 N 2.00 -0.45 0.00 3.14 7.08 -0.04 -3.36 115.58 123.95 1u6g h ASN 827 Ca 0.00 0.20 -0.16 0.00 -3.08 0.00 0.00 56.30 53.26 1u6g h ASN 827 Cb 0.00 0.37 -0.05 0.00 -2.08 0.00 0.00 38.32 36.56 1u6g h ASN 827 CO 0.00 -0.20 1.09 -1.20 -2.08 0.00 0.00 177.43 175.05 1u6g n SER 828 N -5.39 -1.04 -3.04 6.14 7.64 -1.26 -1.24 113.62 115.44 1u6g n SER 828 Ca 0.12 -0.51 -0.14 0.00 1.01 0.00 0.00 58.87 59.35 1u6g n SER 828 Cb 0.43 -0.35 0.01 0.00 -1.01 0.00 0.00 64.21 63.30 1u6g n SER 828 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1u6g n ARG 829 N 3.30 -2.25 -3.49 1.43 3.00 -1.26 -5.03 116.66 112.36 1u6g n ARG 829 Ca 0.30 1.92 -0.22 0.00 -0.01 0.00 0.00 57.85 59.85 1u6g n ARG 829 Cb 0.16 -4.13 -0.13 0.00 0.00 0.00 0.00 32.46 28.36 1u6g n ARG 829 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1u6g s SER 830 N -1.93 2.15 -0.11 0.55 0.15 -0.37 -5.11 113.70 109.03 1u6g s SER 830 Ca 0.21 -0.70 -0.17 0.00 0.70 0.00 0.00 55.95 55.98 1u6g s SER 830 Cb -0.04 0.15 -0.08 0.00 -1.71 0.00 0.00 66.02 64.34 1u6g s SER 830 CO 0.71 -0.38 0.54 0.41 1.20 0.00 0.00 173.24 175.72 1u6g n THR 831 N 5.29 0.00 0.32 6.45 -1.04 -1.26 -4.66 114.28 119.38 1u6g n THR 831 Ca -0.05 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.11 1u6g n THR 831 Cb 0.47 -0.11 0.77 0.00 -1.82 0.00 0.00 70.33 69.64 1u6g n THR 831 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1u6g h ASP 832 N 1.62 0.00 -0.00 8.00 3.58 -1.99 0.17 116.42 127.80 1u6g h ASP 832 Ca -0.18 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 1u6g h ASP 832 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1u6g h ASP 832 CO 0.33 0.00 -0.02 -1.28 -2.88 0.00 0.00 179.24 175.39 1u6g h SER 833 N 0.00 0.02 -0.32 2.28 0.87 -1.94 -3.23 113.55 111.23 1u6g h SER 833 Ca 0.00 -0.63 0.07 0.00 -1.23 0.00 0.00 61.79 60.00 1u6g h SER 833 Cb 0.64 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.53 1u6g h SER 833 CO 0.00 0.65 -0.17 0.40 -0.53 0.00 0.00 176.83 177.18 1u6g h ILE 834 N -0.60 0.50 -0.89 2.23 2.04 -0.95 0.22 117.51 120.07 1u6g h ILE 834 Ca -0.00 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.12 1u6g h ILE 834 Cb 0.64 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1u6g h ILE 834 CO 0.00 0.00 0.76 -0.09 0.00 0.00 0.00 178.15 178.82 1u6g h ARG 835 N -0.12 0.00 0.00 2.37 2.43 -1.59 0.62 114.38 118.08 1u6g h ARG 835 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1u6g h ARG 835 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1u6g h ARG 835 CO -0.40 0.00 0.00 -0.11 -1.51 0.00 0.00 179.97 177.95 1u6g n LEU 836 N -3.89 0.34 -0.32 3.80 -0.00 0.74 -1.81 117.00 115.86 1u6g n LEU 836 Ca 0.19 0.55 0.33 0.00 -0.00 0.00 0.00 56.01 57.08 1u6g n LEU 836 Cb 1.06 -0.42 0.71 0.00 -0.00 0.00 0.00 43.42 44.77 1u6g n LEU 836 CO 0.34 -0.42 1.30 0.25 -0.00 0.00 0.00 177.39 178.85 1u6g h LEU 837 N 0.00 0.08 0.60 -1.96 5.85 -0.85 0.14 115.31 119.18 1u6g h LEU 837 Ca 0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1u6g h LEU 837 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 1u6g h LEU 837 CO 0.00 0.01 -0.29 0.00 -0.34 0.00 0.00 178.44 177.82 1u6g h ALA 838 N 1.46 -0.80 -0.96 1.25 0.00 0.16 -1.58 119.26 118.79 1u6g h ALA 838 Ca 0.57 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1u6g h ALA 838 Cb 2.11 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 20.16 1u6g h ALA 838 CO -0.07 -0.85 0.63 -0.07 0.00 0.00 0.00 179.25 178.89 1u6g h LEU 839 N -1.00 1.06 -1.28 0.00 3.38 0.00 -1.11 115.31 116.36 1u6g h LEU 839 Ca -0.08 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1u6g h LEU 839 Cb 0.67 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1u6g h LEU 839 CO 0.14 0.74 -0.26 -0.07 0.09 0.00 0.00 178.44 179.08 1u6g h LEU 840 N 1.24 0.16 -0.08 1.67 3.38 -1.09 -0.93 115.31 119.65 1u6g h LEU 840 Ca 0.37 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 1u6g h LEU 840 Cb -0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1u6g h LEU 840 CO -0.11 0.42 -0.30 0.28 0.09 0.00 0.00 178.44 178.82 1u6g h SER 841 N 0.15 0.41 -0.03 -0.43 0.02 -0.47 -1.25 113.55 111.95 1u6g h SER 841 Ca 0.02 -0.62 0.01 0.00 -0.84 0.00 0.00 61.79 60.36 1u6g h SER 841 Cb 0.54 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1u6g h SER 841 CO 0.04 0.96 0.03 -0.07 -1.14 0.00 0.00 176.83 176.65 1u6g h LEU 842 N -0.12 0.00 0.14 5.07 3.38 -0.97 -1.27 115.31 121.54 1u6g h LEU 842 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1u6g h LEU 842 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1u6g h LEU 842 CO 0.06 0.00 -0.07 1.23 0.09 0.00 0.00 178.44 179.76 1u6g h GLY 843 N 0.00 -0.20 0.24 0.83 0.00 -0.76 -0.54 103.07 102.64 1u6g h GLY 843 Ca 0.01 0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.49 1u6g h GLY 843 CO -0.00 -0.07 -0.09 0.83 0.00 0.00 0.00 176.54 177.21 1u6g h GLU 844 N -0.64 0.01 -0.20 4.80 4.39 -1.10 -0.39 114.58 121.45 1u6g h GLU 844 Ca -0.02 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1u6g h GLU 844 Cb 0.15 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1u6g h GLU 844 CO 0.03 0.01 0.11 0.28 -1.16 0.00 0.00 179.01 178.28 1u6g h VAL 845 N 0.01 1.09 -0.19 3.13 2.07 -1.39 -2.66 116.25 118.32 1u6g h VAL 845 Ca 0.19 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1u6g h VAL 845 Cb 0.28 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1u6g h VAL 845 CO -0.39 0.09 0.16 1.23 0.02 0.00 0.00 177.57 178.68 1u6g h GLY 846 N 0.23 0.00 1.41 2.17 0.00 -0.01 -1.62 103.07 105.25 1u6g h GLY 846 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 1u6g h GLY 846 CO -0.01 0.00 -0.04 0.84 0.00 0.00 0.00 176.54 177.33 1u6g h HIS 847 N 0.00 0.76 0.00 5.60 6.17 -0.74 -2.56 115.15 124.38 1u6g h HIS 847 Ca 0.09 -0.11 -0.22 0.00 0.71 0.00 0.00 60.37 60.84 1u6g h HIS 847 Cb 0.41 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 30.10 1u6g h HIS 847 CO 0.00 0.74 -1.49 0.72 0.71 0.00 0.00 177.93 178.60 1u6g n HIS 848 N -4.21 0.44 -3.09 5.26 8.25 -0.86 -3.46 115.22 117.54 1u6g n HIS 848 Ca 0.02 0.19 -0.31 0.00 -0.26 0.00 0.00 57.72 57.36 1u6g n HIS 848 Cb 0.31 -0.87 -0.05 0.00 1.12 0.00 0.00 29.99 30.50 1u6g n HIS 848 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1u6g s ILE 849 N -2.51 4.77 -0.70 1.59 -1.09 -0.67 -4.86 121.20 117.73 1u6g s ILE 849 Ca -0.30 0.71 -0.24 0.00 -2.23 0.00 0.00 60.65 58.60 1u6g s ILE 849 Cb 0.08 -3.66 0.06 0.00 -1.58 0.00 0.00 42.46 37.36 1u6g s ILE 849 CO 0.45 -0.29 1.06 -0.62 -1.23 0.00 0.00 174.94 174.31 1u6g s ASP 850 N -2.64 6.20 -0.09 3.58 -1.08 -1.26 -4.50 116.67 116.88 1u6g s ASP 850 Ca 0.52 -0.92 0.05 0.00 -0.52 0.00 0.00 52.55 51.68 1u6g s ASP 850 Cb -0.10 -2.46 0.29 0.00 -1.46 0.00 0.00 42.92 39.19 1u6g s ASP 850 CO 0.23 -1.53 0.96 0.18 0.52 0.00 0.00 175.17 175.54 1u6g n LEU 851 N 8.11 2.76 0.00 -1.34 4.77 -1.26 -4.25 117.00 125.79 1u6g n LEU 851 Ca 0.00 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 1u6g n LEU 851 Cb 0.47 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1u6g n LEU 851 CO 0.65 0.40 0.36 -0.24 -1.33 0.00 0.00 177.39 177.23 1u6g n SER 852 N 0.21 0.00 0.00 -1.43 2.88 -1.26 -3.92 113.62 110.09 1u6g n SER 852 Ca 0.10 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1u6g n SER 852 Cb 0.60 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 1u6g n SER 852 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u6g n GLY 853 N -1.17 -0.45 3.31 0.46 0.00 -1.26 -4.70 105.19 101.37 1u6g n GLY 853 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 1u6g n GLY 853 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6g n GLN 854 N 0.00 0.13 0.00 1.61 10.64 -1.25 -4.76 117.38 123.74 1u6g n GLN 854 Ca 0.00 0.03 0.13 0.00 -1.83 0.00 0.00 57.00 55.33 1u6g n GLN 854 Cb 0.00 -1.63 0.42 0.00 -0.86 0.00 0.00 30.24 28.18 1u6g n GLN 854 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1u6g n LEU 855 N 8.27 0.73 0.23 2.61 7.94 -1.26 -3.45 117.00 132.06 1u6g n LEU 855 Ca 0.55 -0.10 0.16 0.00 -1.11 0.00 0.00 56.01 55.50 1u6g n LEU 855 Cb 0.01 -0.18 0.83 0.00 0.53 0.00 0.00 43.42 44.60 1u6g n LEU 855 CO 0.87 0.14 1.14 -0.08 -1.11 0.00 0.00 177.39 178.35 1u6g h GLU 856 N 0.74 0.00 -0.00 1.96 4.22 -1.98 -2.81 114.58 116.70 1u6g h GLU 856 Ca 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.27 1u6g h GLU 856 Cb 0.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 1u6g h GLU 856 CO 0.00 0.00 -0.67 1.25 -2.18 0.00 0.00 179.01 177.41 1u6g h LEU 857 N 0.00 0.60 -1.58 1.64 6.46 -1.95 -3.08 115.31 117.40 1u6g h LEU 857 Ca 0.06 -0.75 0.44 0.00 -0.12 0.00 0.00 57.88 57.51 1u6g h LEU 857 Cb 0.32 -0.18 -0.11 0.00 -0.73 0.00 0.00 40.66 39.96 1u6g h LEU 857 CO -0.00 1.28 0.95 0.11 -0.62 0.00 0.00 178.44 180.16 1u6g h LYS 858 N -0.01 0.08 0.11 1.25 1.57 -1.73 0.13 116.57 117.97 1u6g h LYS 858 Ca -0.08 -0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.41 1u6g h LYS 858 Cb 1.38 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.66 1u6g h LYS 858 CO 0.13 0.05 -1.44 0.66 -0.57 0.00 0.00 179.45 178.29 1u6g h SER 859 N 0.08 0.37 -0.96 0.86 4.64 -1.71 -3.23 113.55 113.60 1u6g h SER 859 Ca 0.81 -0.85 0.12 0.00 -0.47 0.00 0.00 61.79 61.40 1u6g h SER 859 Cb 2.72 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 64.61 1u6g h SER 859 CO -0.29 1.63 0.59 0.58 -0.87 0.00 0.00 176.83 178.46 1u6g h VAL 860 N -0.30 0.90 -0.22 0.95 2.07 -0.72 0.25 116.25 119.17 1u6g h VAL 860 Ca -0.31 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1u6g h VAL 860 Cb 1.76 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1u6g h VAL 860 CO 0.05 0.17 0.07 0.40 0.02 0.00 0.00 177.57 178.28 1u6g h ILE 861 N 0.93 1.19 -0.06 4.57 1.08 -1.25 -2.90 117.51 121.07 1u6g h ILE 861 Ca 0.48 -0.59 -0.07 0.00 -0.39 0.00 0.00 64.86 64.29 1u6g h ILE 861 Cb 0.49 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1u6g h ILE 861 CO -0.27 0.19 -0.30 -0.07 -0.69 0.00 0.00 178.15 177.00 1u6g h LEU 862 N 0.19 0.10 -1.06 1.44 3.38 -1.22 -2.74 115.31 115.39 1u6g h LEU 862 Ca 0.07 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1u6g h LEU 862 Cb 0.22 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1u6g h LEU 862 CO -0.00 0.40 0.63 -0.08 0.09 0.00 0.00 178.44 179.48 1u6g h GLU 863 N 0.09 1.12 0.00 1.13 4.57 -0.36 0.92 114.58 122.04 1u6g h GLU 863 Ca 0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1u6g h GLU 863 Cb 0.59 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1u6g h GLU 863 CO 0.04 0.74 0.00 0.00 -1.18 0.00 0.00 179.01 178.61 1u6g h ALA 864 N 1.46 1.00 0.00 2.92 0.00 -1.42 -2.41 119.26 120.81 1u6g h ALA 864 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1u6g h ALA 864 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u6g h ALA 864 CO -0.15 0.00 0.06 0.74 0.00 0.00 0.00 179.25 179.91 1u6g h PHE 865 N 0.00 0.00 -1.12 0.00 -1.00 -0.80 -0.11 116.94 113.91 1u6g h PHE 865 Ca 0.00 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.16 1u6g h PHE 865 Cb 0.48 0.00 -0.37 0.00 3.61 0.00 0.00 35.95 39.67 1u6g h PHE 865 CO 0.00 0.00 -0.08 0.43 -1.61 0.00 0.00 178.31 177.05 1u6g n SER 866 N -2.86 6.02 -4.88 2.17 7.64 -0.91 -4.92 113.62 115.87 1u6g n SER 866 Ca -0.02 -3.77 -0.31 0.00 1.01 0.00 0.00 58.87 55.77 1u6g n SER 866 Cb 0.12 -0.64 -0.05 0.00 -1.01 0.00 0.00 64.21 62.64 1u6g n SER 866 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1u6g s SER 867 N -2.77 6.57 0.00 6.43 0.15 -0.06 -4.95 113.70 119.07 1u6g s SER 867 Ca 0.55 0.80 0.19 0.00 0.70 0.00 0.00 55.95 58.19 1u6g s SER 867 Cb 0.44 -2.18 1.00 0.00 -1.71 0.00 0.00 66.02 63.57 1u6g s SER 867 CO -0.07 -0.05 1.57 -0.81 1.20 0.00 0.00 173.24 175.08 1u6g n PRO 868 N -0.15 0.35 -4.72 5.44 -0.04 -1.26 -4.68 135.00 129.94 1u6g n PRO 868 Ca -0.01 0.08 -0.33 0.00 -0.04 0.00 0.00 63.50 63.21 1u6g n PRO 868 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 1u6g n PRO 868 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1u6g s SER 869 N -2.43 3.66 0.09 3.54 0.15 -1.26 -5.01 113.70 112.45 1u6g s SER 869 Ca 0.21 -0.44 -0.31 0.00 0.70 0.00 0.00 55.95 56.10 1u6g s SER 869 Cb 0.13 -1.55 -0.14 0.00 -1.71 0.00 0.00 66.02 62.75 1u6g s SER 869 CO 0.27 0.12 1.61 -0.33 1.20 0.00 0.00 173.24 176.11 1u6g h GLU 870 N 7.03 -0.72 -0.98 5.44 3.07 -1.98 0.11 114.58 126.55 1u6g h GLU 870 Ca -0.28 0.05 0.29 0.00 -0.50 0.00 0.00 59.36 58.91 1u6g h GLU 870 Cb 1.21 0.16 -0.18 0.00 -0.84 0.00 0.00 28.75 29.10 1u6g h GLU 870 CO 0.55 -0.48 0.10 0.93 -1.40 0.00 0.00 179.01 178.71 1u6g h GLU 871 N -0.75 0.02 0.01 2.33 5.08 -1.98 0.48 114.58 119.77 1u6g h GLU 871 Ca -0.03 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1u6g h GLU 871 Cb 0.67 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1u6g h GLU 871 CO -0.05 0.01 -0.01 0.28 -1.00 0.00 0.00 179.01 178.25 1u6g h VAL 872 N 0.02 1.55 -0.96 3.13 2.07 -1.80 -2.57 116.25 117.70 1u6g h VAL 872 Ca 0.62 -1.80 0.23 0.00 0.82 0.00 0.00 66.70 66.58 1u6g h VAL 872 Cb 1.34 2.74 -0.12 0.00 -1.52 0.00 0.00 31.29 33.73 1u6g h VAL 872 CO -0.88 0.46 0.51 0.11 0.02 0.00 0.00 177.57 177.78 1u6g h LYS 873 N -0.80 0.49 0.21 1.57 1.57 0.20 0.46 116.57 120.27 1u6g h LYS 873 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1u6g h LYS 873 Cb 0.76 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1u6g h LYS 873 CO 0.00 0.32 -0.10 0.77 -0.57 0.00 0.00 179.45 179.87 1u6g h SER 874 N 0.50 -0.24 -1.11 0.86 0.02 -0.29 -1.47 113.55 111.82 1u6g h SER 874 Ca 0.61 -0.28 0.31 0.00 -0.84 0.00 0.00 61.79 61.59 1u6g h SER 874 Cb 1.15 0.06 -0.10 0.00 0.14 0.00 0.00 62.40 63.65 1u6g h SER 874 CO -0.50 0.21 0.72 0.00 -1.14 0.00 0.00 176.83 176.12 1u6g h ALA 875 N -0.17 2.38 -0.08 3.77 0.00 -0.57 1.14 119.26 125.72 1u6g h ALA 875 Ca -0.03 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1u6g h ALA 875 Cb 0.51 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1u6g h ALA 875 CO 0.05 -0.84 -0.14 0.00 0.00 0.00 0.00 179.25 178.31 1u6g h ALA 876 N 1.62 0.13 -0.90 0.00 0.00 -0.02 -0.46 119.26 119.63 1u6g h ALA 876 Ca 0.66 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 55.35 1u6g h ALA 876 Cb 1.81 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.49 1u6g h ALA 876 CO -0.33 0.03 0.52 1.03 0.00 0.00 0.00 179.25 180.50 1u6g h SER 877 N -0.21 0.73 0.23 0.00 0.87 0.22 -1.16 113.55 114.24 1u6g h SER 877 Ca 0.01 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1u6g h SER 877 Cb 0.71 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1u6g h SER 877 CO 0.03 0.38 -0.11 0.22 -0.53 0.00 0.00 176.83 176.82 1u6g h TYR 878 N 0.82 -0.29 -0.24 2.24 3.20 -0.49 -1.25 116.97 120.95 1u6g h TYR 878 Ca 0.46 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.36 1u6g h TYR 878 Cb 0.50 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.79 1u6g h TYR 878 CO -0.05 0.04 -0.52 0.00 -1.64 0.00 0.00 178.16 175.99 1u6g h ALA 879 N 0.01 -0.78 0.33 1.82 0.00 -0.45 1.20 119.26 121.38 1u6g h ALA 879 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1u6g h ALA 879 Cb 0.46 1.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1u6g h ALA 879 CO 0.05 -1.04 -0.44 1.25 0.00 0.00 0.00 179.25 179.07 1u6g h LEU 880 N -0.49 -1.23 -0.54 0.00 5.85 -1.30 1.47 115.31 119.07 1u6g h LEU 880 Ca 0.06 0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.00 1u6g h LEU 880 Cb 0.64 0.43 -0.11 0.00 0.37 0.00 0.00 40.66 41.99 1u6g h LEU 880 CO -0.50 -0.56 -0.23 1.23 -0.34 0.00 0.00 178.44 178.04 1u6g h GLY 881 N -0.81 0.14 1.00 3.75 0.00 -0.49 0.17 103.07 106.84 1u6g h GLY 881 Ca -0.02 0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.49 1u6g h GLY 881 CO -0.13 -0.22 -0.26 0.23 0.00 0.00 0.00 176.54 176.16 1u6g h SER 882 N -0.10 0.81 -0.46 0.19 0.87 0.20 -2.90 113.55 112.15 1u6g h SER 882 Ca 0.25 -0.45 0.03 0.00 -1.23 0.00 0.00 61.79 60.39 1u6g h SER 882 Cb 0.49 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 1u6g h SER 882 CO -0.61 1.08 0.31 0.40 -0.53 0.00 0.00 176.83 177.48 1u6g h ILE 883 N 0.54 1.04 -0.34 2.23 2.04 0.26 -0.82 117.51 122.46 1u6g h ILE 883 Ca 0.06 -0.18 0.10 0.00 1.00 0.00 0.00 64.86 65.85 1u6g h ILE 883 Cb 0.83 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1u6g h ILE 883 CO 0.07 0.09 0.43 0.28 0.00 0.00 0.00 178.15 179.02 1u6g h SER 884 N 0.51 0.00 1.27 1.72 0.02 -0.46 -1.16 113.55 115.45 1u6g h SER 884 Ca 0.19 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1u6g h SER 884 Cb 0.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1u6g h SER 884 CO -0.05 0.00 -0.76 0.58 -1.14 0.00 0.00 176.83 175.47 1u6g h VAL 885 N 0.00 0.51 -0.64 2.27 2.07 -1.24 -3.12 116.25 116.09 1u6g h VAL 885 Ca 0.16 -1.80 0.02 0.00 0.82 0.00 0.00 66.70 65.90 1u6g h VAL 885 Cb 1.02 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 1u6g h VAL 885 CO -0.00 0.29 0.42 1.23 0.02 0.00 0.00 177.57 179.53 1u6g h GLY 886 N 3.70 0.89 -6.46 2.17 0.00 -0.76 -3.34 103.07 99.27 1u6g h GLY 886 Ca -0.05 -0.32 -0.44 0.00 0.00 0.00 0.00 47.33 46.52 1u6g h GLY 886 CO 0.04 0.30 -0.74 0.21 0.00 0.00 0.00 176.54 176.35 1u6g s ASN 887 N -6.43 1.92 0.43 0.19 3.84 -1.25 -4.40 114.94 109.24 1u6g s ASN 887 Ca -0.10 -1.71 0.16 0.00 0.21 0.00 0.00 52.86 51.42 1u6g s ASN 887 Cb 0.18 0.19 0.95 0.00 -0.55 0.00 0.00 41.25 42.03 1u6g s ASN 887 CO 0.76 -0.29 1.93 0.25 -2.79 0.00 0.00 177.10 176.96 1u6g h LEU 888 N 7.20 0.00 0.00 3.21 5.85 -1.66 -2.87 115.31 127.03 1u6g h LEU 888 Ca 0.03 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.52 1u6g h LEU 888 Cb 1.03 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1u6g h LEU 888 CO 0.24 0.25 -1.28 1.55 -0.34 0.00 0.00 178.44 178.86 1u6g h PRO 889 N 0.00 0.00 0.00 5.25 0.13 -1.95 -1.82 132.00 133.61 1u6g h PRO 889 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1u6g h PRO 889 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1u6g h PRO 889 CO 0.03 0.70 0.00 0.39 -0.23 0.00 0.00 178.00 178.89 1u6g n GLU 890 N -3.18 0.04 0.00 0.86 -0.58 -1.18 -4.26 120.64 112.34 1u6g n GLU 890 Ca -0.07 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1u6g n GLU 890 Cb 0.96 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 1u6g n GLU 890 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1u6g n TYR 891 N -1.48 0.00 -0.09 -0.32 0.53 -1.09 -4.72 117.16 109.99 1u6g n TYR 891 Ca 0.07 0.00 -0.06 0.00 -1.02 0.00 0.00 57.90 56.89 1u6g n TYR 891 Cb 0.28 0.02 0.00 0.00 -1.03 0.00 0.00 39.34 38.61 1u6g n TYR 891 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 1u6g h LEU 892 N 0.00 -0.29 -0.96 7.72 6.46 -1.51 -0.17 115.31 126.56 1u6g h LEU 892 Ca 0.00 0.10 0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1u6g h LEU 892 Cb 0.83 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.90 1u6g h LEU 892 CO 0.00 -0.10 0.62 -0.65 -0.62 0.00 0.00 178.44 177.68 1u6g h PRO 893 N 0.01 1.12 -0.09 5.25 0.11 -1.78 -1.17 132.00 135.46 1u6g h PRO 893 Ca 0.16 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 66.23 1u6g h PRO 893 Cb 0.24 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 1u6g h PRO 893 CO -0.34 0.74 -0.10 0.35 -0.21 0.00 0.00 178.00 178.45 1u6g h PHE 894 N 1.16 -0.25 0.10 0.65 3.57 -1.55 0.42 116.94 121.04 1u6g h PHE 894 Ca 0.40 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 1u6g h PHE 894 Cb 0.09 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1u6g h PHE 894 CO -0.01 -0.15 -0.09 0.28 -2.23 0.00 0.00 178.31 176.10 1u6g h VAL 895 N -0.13 0.00 -0.96 1.41 2.07 -0.01 0.11 116.25 118.75 1u6g h VAL 895 Ca 0.07 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.88 1u6g h VAL 895 Cb 0.23 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.85 1u6g h VAL 895 CO -0.17 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 177.77 1u6g h LEU 896 N -0.20 0.26 0.10 2.57 3.38 -1.20 0.53 115.31 120.75 1u6g h LEU 896 Ca -0.01 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1u6g h LEU 896 Cb 0.17 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1u6g h LEU 896 CO -0.01 -0.18 -0.41 -0.61 0.09 0.00 0.00 178.44 177.32 1u6g h GLN 897 N 0.24 -0.61 -0.10 1.13 5.75 0.72 -2.41 115.11 119.84 1u6g h GLN 897 Ca 0.67 0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 59.17 1u6g h GLN 897 Cb 1.49 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 30.17 1u6g h GLN 897 CO -0.66 -0.41 -0.13 0.93 -2.65 0.00 0.00 178.83 175.91 1u6g h GLU 898 N -0.63 0.15 -0.98 1.69 4.39 0.13 -1.24 114.58 118.08 1u6g h GLU 898 Ca 0.03 -0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.84 1u6g h GLU 898 Cb 0.67 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.20 1u6g h GLU 898 CO -0.25 0.29 0.60 0.82 -1.16 0.00 0.00 179.01 179.30 1u6g h ILE 899 N 0.14 0.83 0.10 3.13 2.04 -0.68 -2.04 117.51 121.02 1u6g h ILE 899 Ca 0.03 -0.30 -0.34 0.00 1.00 0.00 0.00 64.86 65.25 1u6g h ILE 899 Cb 0.32 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1u6g h ILE 899 CO 0.02 0.16 -1.86 0.74 0.00 0.00 0.00 178.15 177.21 1u6g h THR 900 N 0.87 0.75 0.00 -0.27 2.02 -1.38 -3.41 112.91 111.50 1u6g h THR 900 Ca 0.52 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1u6g h THR 900 Cb 0.64 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1u6g h THR 900 CO -0.32 0.79 0.00 -0.24 0.37 0.00 0.00 175.52 176.12 1u6g n SER 901 N -3.38 0.00 -4.58 4.18 2.88 -0.50 -4.41 113.62 107.81 1u6g n SER 901 Ca -0.26 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.86 1u6g n SER 901 Cb 1.05 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.49 1u6g n SER 901 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u6g s GLN 902 N 0.00 3.31 0.04 -1.46 -2.07 -0.82 -4.84 119.66 113.82 1u6g s GLN 902 Ca 0.00 0.60 0.27 0.00 -1.82 0.00 0.00 55.36 54.40 1u6g s GLN 902 Cb 0.00 -4.13 0.83 0.00 -1.09 0.00 0.00 33.01 28.62 1u6g s GLN 902 CO 0.00 -1.92 1.66 -0.35 -1.32 0.00 0.00 175.29 173.36 1u6g n PRO 903 N 8.58 0.07 0.13 9.60 -0.04 -1.26 -3.45 135.00 148.63 1u6g n PRO 903 Ca 0.14 0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 1u6g n PRO 903 Cb 0.49 -1.56 0.49 0.00 -0.04 0.00 0.00 33.50 32.88 1u6g n PRO 903 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1u6g n LYS 904 N -1.67 0.13 -0.04 0.54 3.00 -1.26 -1.18 118.16 117.68 1u6g n LYS 904 Ca 0.06 0.57 0.03 0.00 -0.00 0.00 0.00 58.31 58.97 1u6g n LYS 904 Cb 0.36 -1.87 0.05 0.00 0.00 0.00 0.00 35.03 33.57 1u6g n LYS 904 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1u6g n ARG 905 N -2.14 2.56 -0.35 1.64 5.12 -1.22 -4.84 116.66 117.42 1u6g n ARG 905 Ca -0.00 -1.83 -0.05 0.00 -1.93 0.00 0.00 57.85 54.03 1u6g n ARG 905 Cb 0.07 -1.16 -0.02 0.00 -1.16 0.00 0.00 32.46 30.20 1u6g n ARG 905 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 1u6g h GLN 906 N 0.14 -0.05 0.00 5.56 4.20 -1.30 0.48 115.11 124.14 1u6g h GLN 906 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u6g h GLN 906 Cb 0.66 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1u6g h GLN 906 CO 0.00 -0.03 0.00 0.98 -0.67 0.00 0.00 178.83 179.11 1u6g n TYR 907 N -5.40 0.00 -0.28 2.96 9.36 -1.26 0.32 117.16 122.87 1u6g n TYR 907 Ca 0.06 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.32 1u6g n TYR 907 Cb 0.35 -0.41 0.18 0.00 -0.63 0.00 0.00 39.34 38.84 1u6g n TYR 907 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1u6g h LEU 908 N 0.00 0.53 -0.81 2.98 3.38 -1.89 -0.73 115.31 118.77 1u6g h LEU 908 Ca 0.00 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1u6g h LEU 908 Cb 0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1u6g h LEU 908 CO 0.00 0.27 0.47 -0.07 0.09 0.00 0.00 178.44 179.20 1u6g h LEU 909 N 0.65 1.00 -2.06 1.67 3.38 -0.62 0.26 115.31 119.59 1u6g h LEU 909 Ca 0.41 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1u6g h LEU 909 Cb 0.50 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1u6g h LEU 909 CO -0.31 0.79 -0.06 -0.07 0.09 0.00 0.00 178.44 178.88 1u6g h LEU 910 N 1.12 0.00 0.21 1.67 3.38 0.13 -0.00 115.31 121.82 1u6g h LEU 910 Ca 0.29 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.92 1u6g h LEU 910 Cb -0.01 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.76 1u6g h LEU 910 CO -0.05 0.06 -1.63 0.45 0.09 0.00 0.00 178.44 177.36 1u6g h HIS 911 N 0.00 0.79 -0.68 1.13 3.86 -0.04 -0.96 115.15 119.25 1u6g h HIS 911 Ca -0.00 -0.58 0.07 0.00 -1.16 0.00 0.00 60.37 58.70 1u6g h HIS 911 Cb 0.30 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.68 1u6g h HIS 911 CO 0.00 1.61 0.36 0.77 0.86 0.00 0.00 177.93 181.53 1u6g h SER 912 N 0.12 0.52 -0.13 2.45 0.02 0.33 0.61 113.55 117.46 1u6g h SER 912 Ca -0.30 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.61 1u6g h SER 912 Cb 2.12 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 64.58 1u6g h SER 912 CO 0.21 0.33 -0.16 0.25 -1.14 0.00 0.00 176.83 176.33 1u6g h LEU 913 N 0.66 0.51 -0.21 5.07 6.46 -1.04 -2.05 115.31 124.70 1u6g h LEU 913 Ca 0.31 -0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.96 1u6g h LEU 913 Cb 0.24 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 1u6g h LEU 913 CO -0.21 0.69 -0.01 0.50 -0.62 0.00 0.00 178.44 178.79 1u6g h LYS 914 N 0.47 0.06 -0.47 1.25 3.11 0.50 -0.31 116.57 121.18 1u6g h LYS 914 Ca 0.08 -0.00 0.08 0.00 -2.81 0.00 0.00 60.65 58.00 1u6g h LYS 914 Cb 0.55 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.70 1u6g h LYS 914 CO 0.04 0.04 0.09 1.49 -2.81 0.00 0.00 179.45 178.29 1u6g h GLU 915 N 0.06 0.22 0.00 1.90 4.57 -0.60 0.72 114.58 121.45 1u6g h GLU 915 Ca 0.10 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1u6g h GLU 915 Cb 0.13 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1u6g h GLU 915 CO -0.18 0.14 0.00 -0.89 -1.18 0.00 0.00 179.01 176.91 1u6g n ILE 916 N -5.11 0.00 -0.22 2.32 5.41 -0.69 -1.86 119.36 119.21 1u6g n ILE 916 Ca 0.05 1.43 -0.07 0.00 1.00 0.00 0.00 62.75 65.15 1u6g n ILE 916 Cb 0.22 -2.28 -0.02 0.00 -0.71 0.00 0.00 39.64 36.85 1u6g n ILE 916 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1u6g h ILE 917 N 0.00 0.10 0.00 1.39 2.04 -0.83 -3.05 117.51 117.17 1u6g h ILE 917 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1u6g h ILE 917 Cb 0.00 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1u6g h ILE 917 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 176.95 1u6g n SER 918 N -5.42 0.00 -4.04 1.72 7.64 0.25 -4.21 113.62 109.56 1u6g n SER 918 Ca 0.03 0.33 -0.33 0.00 1.01 0.00 0.00 58.87 59.92 1u6g n SER 918 Cb 0.35 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.42 1u6g n SER 918 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1u6g s SER 919 N -3.00 4.87 0.00 6.43 1.04 -0.78 -4.93 113.70 117.34 1u6g s SER 919 Ca 0.00 -2.26 0.00 0.00 0.48 0.00 0.00 55.95 54.17 1u6g s SER 919 Cb 0.00 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.42 1u6g s SER 919 CO 0.00 -0.41 0.00 0.00 0.98 0.00 0.00 173.24 173.81 1u6g n ALA 920 N 4.17 1.89 -3.48 5.32 0.00 -1.16 -4.71 120.51 122.55 1u6g n ALA 920 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1u6g n ALA 920 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.86 1u6g n ALA 920 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u6g n SER 921 N -0.89 -0.61 0.00 0.00 7.64 -1.26 -5.07 113.62 113.43 1u6g n SER 921 Ca 0.00 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.72 1u6g n SER 921 Cb 0.00 0.95 0.00 0.00 -1.01 0.00 0.00 64.21 64.15 1u6g n SER 921 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1u6g n VAL 922 N -0.43 0.00 -0.10 0.44 0.31 -1.26 -4.54 118.33 112.75 1u6g n VAL 922 Ca 0.02 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 1u6g n VAL 922 Cb 0.28 0.35 -0.12 0.00 -0.91 0.00 0.00 33.84 33.44 1u6g n VAL 922 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1u6g n VAL 923 N -0.10 1.57 0.59 2.52 0.31 -1.26 -3.56 118.33 118.40 1u6g n VAL 923 Ca 0.00 -0.48 0.08 0.00 -0.01 0.00 0.00 64.34 63.93 1u6g n VAL 923 Cb 0.00 -1.68 0.35 0.00 -0.91 0.00 0.00 33.84 31.61 1u6g n VAL 923 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u6g n GLY 924 N 1.85 -1.00 0.13 2.92 0.00 -1.26 -3.42 105.19 104.41 1u6g n GLY 924 Ca -0.44 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1u6g n GLY 924 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1u6g n LEU 925 N -1.45 2.79 -0.29 0.99 7.94 -1.26 -4.51 117.00 121.22 1u6g n LEU 925 Ca 0.05 -0.03 0.03 0.00 -1.11 0.00 0.00 56.01 54.95 1u6g n LEU 925 Cb 0.17 -0.93 0.08 0.00 0.53 0.00 0.00 43.42 43.28 1u6g n LEU 925 CO 0.14 0.87 0.50 1.17 -1.11 0.00 0.00 177.39 178.96 1u6g n LYS 926 N -3.43 -0.11 -0.04 1.96 3.00 -1.22 -0.78 118.16 117.54 1u6g n LYS 926 Ca -0.45 1.22 -0.02 0.00 -0.00 0.00 0.00 58.31 59.06 1u6g n LYS 926 Cb 0.98 -1.81 -0.01 0.00 0.00 0.00 0.00 35.03 34.18 1u6g n LYS 926 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1u6g h PRO 927 N 0.00 -0.03 0.00 1.64 0.11 -1.79 -1.07 132.00 130.87 1u6g h PRO 927 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1u6g h PRO 927 Cb 0.54 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1u6g h PRO 927 CO -0.80 -0.02 0.00 0.66 -0.21 0.00 0.00 178.00 177.64 1u6g n TYR 928 N -3.22 0.54 -0.04 0.65 4.02 0.04 -3.64 117.16 115.51 1u6g n TYR 928 Ca -0.00 0.25 -0.11 0.00 -0.01 0.00 0.00 57.90 58.03 1u6g n TYR 928 Cb 0.04 -0.89 -0.05 0.00 -0.02 0.00 0.00 39.34 38.42 1u6g n TYR 928 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1u6g h VAL 929 N 0.00 0.19 -0.38 -0.72 2.07 -0.08 0.49 116.25 117.82 1u6g h VAL 929 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1u6g h VAL 929 Cb 0.16 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1u6g h VAL 929 CO 0.00 0.00 0.38 -0.33 0.02 0.00 0.00 177.57 177.64 1u6g h GLU 930 N -0.40 0.00 0.04 1.57 4.39 -1.70 -1.19 114.58 117.29 1u6g h GLU 930 Ca 0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1u6g h GLU 930 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1u6g h GLU 930 CO -0.44 0.00 -0.02 -0.91 -1.16 0.00 0.00 179.01 176.48 1u6g h ASN 931 N 0.00 -0.05 -0.33 1.42 4.21 -0.43 -3.15 115.58 117.25 1u6g h ASN 931 Ca 0.18 -0.22 0.04 0.00 1.21 0.00 0.00 56.30 57.51 1u6g h ASN 931 Cb 0.94 0.01 -0.07 0.00 -1.12 0.00 0.00 38.32 38.09 1u6g h ASN 931 CO -0.00 0.55 -0.44 0.40 -1.29 0.00 0.00 177.43 176.65 1u6g h ILE 932 N -1.00 0.00 -0.99 2.81 1.08 0.08 -0.18 117.51 119.32 1u6g h ILE 932 Ca -0.01 0.00 0.34 0.00 -0.39 0.00 0.00 64.86 64.81 1u6g h ILE 932 Cb 0.26 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.85 1u6g h ILE 932 CO 0.01 0.00 0.47 -0.25 -0.69 0.00 0.00 178.15 177.69 1u6g h TRP 933 N -0.31 0.73 -0.30 1.37 2.91 -1.40 0.56 115.95 119.51 1u6g h TRP 933 Ca 0.06 0.04 -0.10 0.00 1.13 0.00 0.00 58.89 60.02 1u6g h TRP 933 Cb 0.47 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 1u6g h TRP 933 CO -0.71 -0.31 -0.22 0.00 -1.03 0.00 0.00 178.44 176.17 1u6g h ALA 934 N 1.91 1.06 -0.20 2.65 0.00 -1.00 -1.53 119.26 122.14 1u6g h ALA 934 Ca 0.74 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 55.13 1u6g h ALA 934 Cb 1.77 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1u6g h ALA 934 CO -0.70 0.57 -0.61 1.25 0.00 0.00 0.00 179.25 179.77 1u6g h LEU 935 N 0.51 0.77 -0.64 0.00 7.12 0.63 -3.18 115.31 120.52 1u6g h LEU 935 Ca 0.08 -0.44 -0.02 0.00 0.13 0.00 0.00 57.88 57.63 1u6g h LEU 935 Cb 0.66 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.56 1u6g h LEU 935 CO 0.05 1.20 -0.11 -0.07 -0.13 0.00 0.00 178.44 179.37 1u6g h LEU 936 N 0.51 0.00 0.00 2.25 3.38 -0.97 -2.23 115.31 118.25 1u6g h LEU 936 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u6g h LEU 936 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1u6g h LEU 936 CO 0.12 0.11 -0.25 0.18 0.09 0.00 0.00 178.44 178.69 1u6g n LEU 937 N -3.17 0.27 -0.11 1.67 4.77 -0.60 -3.68 117.00 116.14 1u6g n LEU 937 Ca 0.02 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 1u6g n LEU 937 Cb 0.48 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 41.05 1u6g n LEU 937 CO 0.33 0.06 -1.22 1.17 -1.33 0.00 0.00 177.39 176.40 1u6g n LYS 938 N -1.52 0.68 -0.22 3.23 4.81 -1.13 -4.48 118.16 119.53 1u6g n LYS 938 Ca 0.06 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1u6g n LYS 938 Cb 0.34 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.87 1u6g n LYS 938 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1u6g n HIS 939 N -2.92 0.00 -0.02 5.64 8.25 -0.85 -3.46 115.22 121.86 1u6g n HIS 939 Ca -0.37 -0.67 0.06 0.00 -0.26 0.00 0.00 57.72 56.48 1u6g n HIS 939 Cb 1.10 -0.35 0.26 0.00 1.12 0.00 0.00 29.99 32.12 1u6g n HIS 939 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u6g s GLU 941 N -1.85 3.14 0.00 0.00 2.02 -1.22 -4.73 118.70 116.05 1u6g s GLU 941 Ca 0.36 1.72 0.02 0.00 0.02 0.00 0.00 54.97 57.09 1u6g s GLU 941 Cb 0.24 -4.32 0.10 0.00 0.10 0.00 0.00 34.13 30.26 1u6g s GLU 941 CO 0.16 -2.09 0.47 0.00 0.02 0.00 0.00 175.26 173.81 1u6g n ALA 943 N -0.58 0.00 -2.85 0.00 0.00 -1.26 -3.38 120.51 112.44 1u6g n ALA 943 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 1u6g n ALA 943 Cb 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.34 1u6g n ALA 943 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1u6g s GLU 944 N -0.48 3.32 0.00 0.00 0.41 -1.26 -4.97 118.70 115.72 1u6g s GLU 944 Ca 0.00 -0.55 0.11 0.00 -0.41 0.00 0.00 54.97 54.12 1u6g s GLU 944 Cb 0.00 -2.77 0.63 0.00 -1.78 0.00 0.00 34.13 30.21 1u6g s GLU 944 CO 0.00 0.38 1.28 -1.91 -0.49 0.00 0.00 175.26 174.52 1u6g n GLU 945 N 3.08 0.84 -0.06 1.61 0.00 -1.22 -1.75 120.64 123.14 1u6g n GLU 945 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 56.95 1u6g n GLU 945 Cb 0.53 -1.20 -0.13 0.00 0.00 0.00 0.00 31.44 30.64 1u6g n GLU 945 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1u6g n GLY 946 N 0.47 -0.82 0.17 8.31 0.00 -1.26 -4.35 105.19 107.71 1u6g n GLY 946 Ca 0.08 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 1u6g n GLY 946 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1u6g h THR 947 N 0.00 1.35 0.00 2.61 2.02 -1.71 -2.95 112.91 114.23 1u6g h THR 947 Ca -0.33 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.19 1u6g h THR 947 Cb 1.69 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 1u6g h THR 947 CO 0.02 0.51 0.18 0.03 0.37 0.00 0.00 175.52 176.63 1u6g h ARG 948 N 0.18 0.00 0.13 6.66 3.08 -1.71 -1.27 114.38 121.45 1u6g h ARG 948 Ca -0.01 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.84 1u6g h ARG 948 Cb 1.01 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.08 1u6g h ARG 948 CO 0.09 0.00 -0.94 -0.91 -1.07 0.00 0.00 179.97 177.14 1u6g h ASN 949 N 0.00 0.44 -0.63 7.04 4.21 -1.73 -2.18 115.58 122.74 1u6g h ASN 949 Ca 0.00 -0.93 0.05 0.00 1.21 0.00 0.00 56.30 56.63 1u6g h ASN 949 Cb 0.37 -0.14 -0.05 0.00 -1.12 0.00 0.00 38.32 37.38 1u6g h ASN 949 CO 0.00 1.44 0.36 0.58 -1.29 0.00 0.00 177.43 178.52 1u6g h VAL 950 N -0.38 1.00 0.39 2.81 2.07 -1.27 0.57 116.25 121.44 1u6g h VAL 950 Ca -0.18 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1u6g h VAL 950 Cb 1.66 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1u6g h VAL 950 CO 0.12 0.12 -0.40 0.58 0.02 0.00 0.00 177.57 178.02 1u6g h VAL 951 N 0.68 0.19 -0.99 2.57 2.07 -1.54 0.44 116.25 119.67 1u6g h VAL 951 Ca 0.27 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.92 1u6g h VAL 951 Cb 0.12 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.00 1u6g h VAL 951 CO -0.15 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.06 1u6g h ALA 952 N -0.43 1.58 0.00 1.67 0.00 -0.82 1.09 119.26 122.36 1u6g h ALA 952 Ca -0.03 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1u6g h ALA 952 Cb 0.73 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1u6g h ALA 952 CO -0.07 0.16 -0.24 1.49 0.00 0.00 0.00 179.25 180.59 1u6g h GLU 953 N 0.93 0.00 0.20 0.00 4.81 0.11 -0.13 114.58 120.49 1u6g h GLU 953 Ca 0.50 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.46 1u6g h GLU 953 Cb 0.56 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.97 1u6g h GLU 953 CO -0.27 0.24 -1.21 0.00 -0.73 0.00 0.00 179.01 177.04 1u6g h LEU 955 N -0.10 1.00 0.58 0.00 3.38 0.87 0.12 115.31 121.16 1u6g h LEU 955 Ca -0.22 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1u6g h LEU 955 Cb 1.92 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 42.43 1u6g h LEU 955 CO 0.21 0.77 -0.28 1.23 0.09 0.00 0.00 178.44 180.46 1u6g h GLY 956 N 1.14 -0.81 0.42 0.83 0.00 -1.06 0.04 103.07 103.62 1u6g h GLY 956 Ca 0.30 0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.98 1u6g h GLY 956 CO -0.06 -0.30 -0.07 0.50 0.00 0.00 0.00 176.54 176.62 1u6g h LYS 957 N -0.82 -0.00 -0.46 4.80 1.79 -1.14 -2.21 116.57 118.51 1u6g h LYS 957 Ca -0.08 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.48 1u6g h LYS 957 Cb 0.62 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.18 1u6g h LYS 957 CO 0.13 -0.00 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.37 1u6g h LEU 958 N -0.00 -0.32 -0.31 2.94 3.38 -0.59 -2.56 115.31 117.84 1u6g h LEU 958 Ca 0.14 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1u6g h LEU 958 Cb 0.21 0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 1u6g h LEU 958 CO -0.30 -0.11 -0.53 0.74 0.09 0.00 0.00 178.44 178.33 1u6g h THR 959 N 0.05 0.03 -0.58 0.22 2.02 -0.35 -1.32 112.91 112.98 1u6g h THR 959 Ca 0.23 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.65 1u6g h THR 959 Cb 0.35 0.03 -0.10 0.00 -1.74 0.00 0.00 68.15 66.68 1u6g h THR 959 CO -0.44 0.00 0.31 0.18 0.37 0.00 0.00 175.52 175.94 1u6g n LEU 960 N -5.40 0.20 -4.55 2.58 4.77 -0.96 -2.61 117.00 111.01 1u6g n LEU 960 Ca -0.04 0.96 -0.37 0.00 -0.03 0.00 0.00 56.01 56.53 1u6g n LEU 960 Cb 0.36 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1u6g n LEU 960 CO 0.04 -1.07 1.46 -0.63 -1.33 0.00 0.00 177.39 175.86 1u6g s ILE 961 N -4.89 3.49 -0.61 -0.08 1.01 -0.50 -3.66 121.20 115.96 1u6g s ILE 961 Ca -0.05 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.63 1u6g s ILE 961 Cb 0.20 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1u6g s ILE 961 CO 0.45 -1.19 0.56 -0.67 0.00 0.00 0.00 174.94 174.09 1u6g n ASP 962 N 12.05 -5.68 0.19 3.58 2.03 -1.23 -4.93 116.55 122.55 1u6g n ASP 962 Ca 0.22 -0.25 0.02 0.00 0.52 0.00 0.00 54.79 55.30 1u6g n ASP 962 Cb 0.50 -3.91 0.36 0.00 -0.72 0.00 0.00 41.12 37.35 1u6g n ASP 962 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1u6g h PRO 963 N -0.17 0.00 -0.15 -0.67 0.13 -1.57 -3.11 132.00 126.46 1u6g h PRO 963 Ca -0.19 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.98 1u6g h PRO 963 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1u6g h PRO 963 CO 0.25 0.37 0.11 0.93 -0.23 0.00 0.00 178.00 179.44 1u6g h GLU 964 N 0.00 0.00 -0.32 0.86 5.08 -1.91 0.69 114.58 118.97 1u6g h GLU 964 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1u6g h GLU 964 Cb 0.67 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.85 1u6g h GLU 964 CO 0.05 0.00 -0.02 2.41 -1.00 0.00 0.00 179.01 180.45 1u6g n THR 965 N -4.44 2.44 0.00 1.13 -1.04 -1.18 -4.60 114.28 106.59 1u6g n THR 965 Ca 0.01 -2.36 0.00 0.00 -2.04 0.00 0.00 64.05 59.66 1u6g n THR 965 Cb 0.24 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 1u6g n THR 965 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1u6g n LEU 966 N -0.90 0.12 -0.09 -4.42 4.77 -0.61 -4.78 117.00 111.09 1u6g n LEU 966 Ca 0.29 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 1u6g n LEU 966 Cb 0.98 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.05 1u6g n LEU 966 CO 0.18 0.02 0.96 0.25 -1.33 0.00 0.00 177.39 177.47 1u6g h LEU 967 N 0.00 0.37 -1.19 2.23 7.12 -1.17 -2.13 115.31 120.54 1u6g h LEU 967 Ca 0.00 -0.06 0.14 0.00 0.13 0.00 0.00 57.88 58.08 1u6g h LEU 967 Cb 0.04 -0.09 -0.08 0.00 -0.53 0.00 0.00 40.66 40.00 1u6g h LEU 967 CO 0.00 0.32 0.59 1.55 -0.13 0.00 0.00 178.44 180.78 1u6g h PRO 968 N 0.38 0.77 -0.68 5.25 0.13 -1.81 0.47 132.00 136.52 1u6g h PRO 968 Ca 0.11 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 1u6g h PRO 968 Cb 0.03 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 30.95 1u6g h PRO 968 CO -0.02 0.51 0.40 -0.09 -0.23 0.00 0.00 178.00 178.57 1u6g h ARG 969 N 0.80 0.93 -0.13 0.86 2.43 -1.71 -2.26 114.38 115.29 1u6g h ARG 969 Ca 0.47 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 59.40 1u6g h ARG 969 Cb 0.64 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1u6g h ARG 969 CO -0.23 0.67 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.27 1u6g h LEU 970 N 0.92 0.45 -2.45 3.80 3.38 -0.07 -2.90 115.31 118.44 1u6g h LEU 970 Ca 0.24 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u6g h LEU 970 Cb -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1u6g h LEU 970 CO -0.04 0.92 0.00 1.17 0.09 0.00 0.00 178.44 180.58 1u6g n LYS 971 N -3.93 0.78 0.00 1.13 4.81 0.13 -2.72 118.16 118.36 1u6g n LYS 971 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1u6g n LYS 971 Cb 0.60 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 34.54 1u6g n LYS 971 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u6g n GLY 972 N 0.98 0.55 0.16 3.14 0.00 -1.10 -4.70 105.19 104.23 1u6g n GLY 972 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1u6g n GLY 972 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1u6g h TYR 973 N 0.00 0.00 -0.02 1.61 -1.99 -1.55 -3.33 116.97 111.70 1u6g h TYR 973 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1u6g h TYR 973 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 1u6g h TYR 973 CO 0.00 0.00 -0.01 -0.11 -0.00 0.00 0.00 178.16 178.04 1u6g n LEU 974 N -2.77 -0.02 0.00 3.88 -0.00 -1.22 -3.25 117.00 113.62 1u6g n LEU 974 Ca 0.03 1.00 0.00 0.00 -0.00 0.00 0.00 56.01 57.05 1u6g n LEU 974 Cb 0.51 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1u6g n LEU 974 CO 0.35 -0.51 0.00 0.00 -0.00 0.00 0.00 177.39 177.23 1u6g n ILE 975 N -3.03 0.00 0.00 1.96 0.13 -1.25 -4.51 119.36 112.66 1u6g n ILE 975 Ca 0.00 0.33 0.00 0.00 -1.10 0.00 0.00 62.75 61.98 1u6g n ILE 975 Cb 0.00 -1.04 0.00 0.00 -0.84 0.00 0.00 39.64 37.76 1u6g n ILE 975 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1u6g n SER 976 N 0.00 0.00 0.00 9.51 3.41 -1.26 -4.81 113.62 120.47 1u6g n SER 976 Ca 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1u6g n SER 976 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1u6g n SER 976 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u6g n GLY 977 N -0.31 0.00 3.89 5.00 0.00 -1.20 -5.01 105.19 107.56 1u6g n GLY 977 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1u6g n GLY 977 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u6g s SER 978 N 0.00 6.46 0.22 1.61 1.04 -1.26 -4.77 113.70 116.99 1u6g s SER 978 Ca 0.00 1.00 -0.04 0.00 0.48 0.00 0.00 55.95 57.39 1u6g s SER 978 Cb 0.00 -2.27 0.42 0.00 0.10 0.00 0.00 66.02 64.27 1u6g s SER 978 CO 0.00 -0.38 1.18 -1.20 0.98 0.00 0.00 173.24 173.82 1u6g n SER 979 N -1.38 -0.22 0.01 7.02 7.64 -1.26 0.13 113.62 125.57 1u6g n SER 979 Ca 0.01 1.30 -0.13 0.00 1.01 0.00 0.00 58.87 61.06 1u6g n SER 979 Cb 0.54 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 1u6g n SER 979 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1u6g h TYR 980 N 0.00 0.79 -0.17 1.43 -1.99 -1.94 0.17 116.97 115.26 1u6g h TYR 980 Ca 0.39 -0.34 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 1u6g h TYR 980 Cb 0.67 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 1u6g h TYR 980 CO -0.52 1.13 0.03 0.00 -0.00 0.00 0.00 178.16 178.79 1u6g h ALA 981 N 0.78 0.23 -0.02 3.88 0.00 0.73 0.40 119.26 125.26 1u6g h ALA 981 Ca -0.03 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1u6g h ALA 981 Cb 1.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1u6g h ALA 981 CO 0.14 -0.11 -0.08 0.00 0.00 0.00 0.00 179.25 179.20 1u6g h ARG 982 N 0.07 -0.12 0.13 0.00 3.08 0.67 -1.85 114.38 116.36 1u6g h ARG 982 Ca 0.05 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1u6g h ARG 982 Cb 0.31 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1u6g h ARG 982 CO 0.00 -0.08 -0.11 0.77 -1.07 0.00 0.00 179.97 179.49 1u6g h SER 983 N -0.12 -0.28 -0.89 7.04 0.02 -0.40 -2.26 113.55 116.66 1u6g h SER 983 Ca 0.04 0.02 0.18 0.00 -0.84 0.00 0.00 61.79 61.18 1u6g h SER 983 Cb 0.17 0.09 -0.17 0.00 0.14 0.00 0.00 62.40 62.63 1u6g h SER 983 CO -0.09 -0.15 -0.23 -1.20 -1.14 0.00 0.00 176.83 174.02 1u6g n SER 984 N -2.91 -0.33 -0.03 3.07 7.64 0.14 -0.33 113.62 120.87 1u6g n SER 984 Ca -0.03 1.53 -0.12 0.00 1.01 0.00 0.00 58.87 61.26 1u6g n SER 984 Cb 0.10 -0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 62.78 1u6g n SER 984 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1u6g h VAL 985 N 0.00 1.21 0.00 0.44 3.04 -1.27 0.41 116.25 120.08 1u6g h VAL 985 Ca 0.42 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1u6g h VAL 985 Cb 0.64 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1u6g h VAL 985 CO -0.91 0.19 0.00 0.55 -1.01 0.00 0.00 177.57 176.39 1u6g n VAL 986 N -4.85 0.78 -0.02 1.51 3.14 -0.11 -1.63 118.33 117.15 1u6g n VAL 986 Ca -0.06 0.18 -0.14 0.00 -2.96 0.00 0.00 64.34 61.37 1u6g n VAL 986 Cb 0.16 -0.91 -0.14 0.00 -1.06 0.00 0.00 33.84 31.90 1u6g n VAL 986 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1u6g n THR 987 N -1.59 1.67 -0.10 1.55 -1.04 0.55 -3.55 114.28 111.76 1u6g n THR 987 Ca 0.04 -0.74 -0.09 0.00 -2.04 0.00 0.00 64.05 61.23 1u6g n THR 987 Cb 0.22 -1.30 0.07 0.00 -1.82 0.00 0.00 70.33 67.49 1u6g n THR 987 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u6g h ALA 988 N 0.60 0.83 0.00 2.41 0.00 0.43 -2.36 119.26 121.16 1u6g h ALA 988 Ca -0.36 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.12 1u6g h ALA 988 Cb 2.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1u6g h ALA 988 CO 0.08 0.64 -0.24 -0.24 0.00 0.00 0.00 179.25 179.49 1u6g h VAL 989 N 0.72 1.05 -0.42 0.00 3.04 -1.46 -2.00 116.25 117.19 1u6g h VAL 989 Ca 0.10 -0.86 -0.02 0.00 -1.01 0.00 0.00 66.70 64.91 1u6g h VAL 989 Cb 0.76 1.48 -0.02 0.00 -2.01 0.00 0.00 31.29 31.49 1u6g h VAL 989 CO 0.06 0.24 0.18 0.50 -1.01 0.00 0.00 177.57 177.54 1u6g h LYS 990 N 0.00 0.61 -1.10 4.17 3.64 -1.48 -2.25 116.57 120.17 1u6g h LYS 990 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1u6g h LYS 990 Cb 0.46 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1u6g h LYS 990 CO 0.03 0.55 0.00 1.19 -2.27 0.00 0.00 179.45 178.95 1u6g n PHE 991 N -4.66 0.00 -0.02 1.91 0.99 -0.75 -2.12 117.46 112.82 1u6g n PHE 991 Ca 0.00 -0.28 -0.02 0.00 -0.00 0.00 0.00 57.45 57.15 1u6g n PHE 991 Cb 0.13 -0.18 -0.04 0.00 -1.00 0.00 0.00 39.48 38.39 1u6g n PHE 991 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1u6g n THR 992 N 0.47 0.27 -1.94 4.37 -1.04 -0.85 -4.43 114.28 111.13 1u6g n THR 992 Ca 0.00 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.05 61.40 1u6g n THR 992 Cb 0.34 -0.72 -0.03 0.00 -1.82 0.00 0.00 70.33 68.10 1u6g n THR 992 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1u6g s ILE 993 N -2.14 3.43 0.26 12.58 1.01 -0.90 -4.99 121.20 130.46 1u6g s ILE 993 Ca -0.02 0.46 0.04 0.00 0.00 0.00 0.00 60.65 61.12 1u6g s ILE 993 Cb 0.02 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1u6g s ILE 993 CO 0.19 -0.29 0.41 -0.55 0.00 0.00 0.00 174.94 174.69 1u6g s SER 994 N 5.85 6.31 0.00 3.58 0.15 -1.26 -5.04 113.70 123.30 1u6g s SER 994 Ca 0.82 0.17 -0.25 0.00 0.70 0.00 0.00 55.95 57.39 1u6g s SER 994 Cb -0.26 -1.90 -0.15 0.00 -1.71 0.00 0.00 66.02 61.99 1u6g s SER 994 CO 0.33 -0.12 1.13 -0.78 1.20 0.00 0.00 173.24 175.00 1u6g h ASP 995 N 1.09 -0.49 -3.86 5.45 1.82 -1.94 -3.44 116.42 115.03 1u6g h ASP 995 Ca -0.51 -0.10 -0.47 0.00 -0.39 0.00 0.00 57.03 55.55 1u6g h ASP 995 Cb 1.23 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 41.34 1u6g h ASP 995 CO 0.61 -0.11 0.26 -1.00 -1.61 0.00 0.00 179.24 177.39 1u6g s HIS 996 N -4.52 3.50 0.12 0.28 0.09 -1.26 -4.79 115.29 108.71 1u6g s HIS 996 Ca -0.14 1.55 -0.33 0.00 -0.00 0.00 0.00 55.06 56.15 1u6g s HIS 996 Cb 0.02 -2.77 -0.12 0.00 -0.00 0.00 0.00 32.58 29.70 1u6g s HIS 996 CO 0.48 0.10 1.73 -0.35 -0.00 0.00 0.00 174.74 176.70 1u6g n PRO 997 N 0.01 2.45 -4.57 8.40 -0.04 -1.26 -4.98 135.00 135.01 1u6g n PRO 997 Ca 0.03 0.89 -0.28 0.00 -0.04 0.00 0.00 63.50 64.10 1u6g n PRO 997 Cb 0.52 -2.72 -0.11 0.00 -0.04 0.00 0.00 33.50 31.15 1u6g n PRO 997 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1u6g s GLN 998 N 1.99 1.99 0.28 0.54 -0.21 -1.26 -5.05 119.66 117.94 1u6g s GLN 998 Ca 0.81 -2.08 -0.00 0.00 0.02 0.00 0.00 55.36 54.11 1u6g s GLN 998 Cb -0.59 -1.68 0.49 0.00 1.00 0.00 0.00 33.01 32.23 1u6g s GLN 998 CO 0.39 -0.06 1.87 -1.35 -2.12 0.00 0.00 175.29 174.02 1u6g h PRO 999 N 1.73 1.05 -0.33 2.91 0.11 -2.01 -2.08 132.00 133.39 1u6g h PRO 999 Ca -0.44 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1u6g h PRO 999 Cb 1.24 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1u6g h PRO 999 CO 0.80 0.69 0.04 0.82 -0.21 0.00 0.00 178.00 180.15 1u6g h ILE 1000N 1.08 1.17 -0.76 4.15 1.08 -1.96 -3.28 117.51 118.99 1u6g h ILE 1000Ca 0.45 -0.65 0.12 0.00 -0.39 0.00 0.00 64.86 64.38 1u6g h ILE 1000Cb 0.30 0.88 -0.12 0.00 -3.07 0.00 0.00 36.82 34.80 1u6g h ILE 1000CO -0.20 0.23 -0.30 0.47 -0.69 0.00 0.00 178.15 177.66 1u6g n ASP 1001N -4.32 -0.50 0.13 1.72 9.92 -0.78 0.88 116.55 123.60 1u6g n ASP 1001Ca 0.02 1.33 -0.11 0.00 -0.53 0.00 0.00 54.79 55.49 1u6g n ASP 1001Cb 0.21 -0.30 -0.06 0.00 -0.64 0.00 0.00 41.12 40.32 1u6g n ASP 1001CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1u6g h PRO 1002N 0.00 -0.55 -0.67 -0.24 0.11 -1.76 0.49 132.00 129.38 1u6g h PRO 1002Ca 0.26 0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.42 1u6g h PRO 1002Cb 0.45 0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 1u6g h PRO 1002CO -0.75 -0.37 0.44 1.25 -0.21 0.00 0.00 178.00 178.36 1u6g h LEU 1003N -0.57 0.75 -0.12 2.35 5.85 -1.54 -2.39 115.31 119.64 1u6g h LEU 1003Ca -0.02 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1u6g h LEU 1003Cb 0.53 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1u6g h LEU 1003CO -0.12 0.54 0.06 0.25 -0.34 0.00 0.00 178.44 178.83 1u6g h LEU 1004N 0.89 0.15 -1.97 2.25 6.46 0.11 -1.91 115.31 121.28 1u6g h LEU 1004Ca 0.25 -0.09 0.35 0.00 -0.12 0.00 0.00 57.88 58.27 1u6g h LEU 1004Cb -0.08 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 39.76 1u6g h LEU 1004CO -0.06 0.19 0.89 0.50 -0.62 0.00 0.00 178.44 179.35 1u6g h LYS 1005N 0.09 0.00 0.00 1.25 3.64 0.51 -0.69 116.57 121.36 1u6g h LYS 1005Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1u6g h LYS 1005Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1u6g h LYS 1005CO -0.01 0.00 -0.13 -0.91 -2.27 0.00 0.00 179.45 176.13 1u6g h ASN 1006N 0.00 0.00 0.67 4.20 4.21 -1.30 -3.38 115.58 119.97 1u6g h ASN 1006Ca 0.57 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.08 1u6g h ASN 1006Cb 2.35 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.55 1u6g h ASN 1006CO -0.01 0.55 0.00 0.00 -1.29 0.00 0.00 177.43 176.68 1u6g h ILE 1008N 0.00 0.00 -0.78 0.00 6.09 -1.32 -2.30 117.51 119.20 1u6g h ILE 1008Ca 0.00 0.00 0.18 0.00 -1.37 0.00 0.00 64.86 63.67 1u6g h ILE 1008Cb 0.34 0.00 -0.12 0.00 0.47 0.00 0.00 36.82 37.51 1u6g h ILE 1008CO 0.00 0.00 0.20 1.23 -3.07 0.00 0.00 178.15 176.51 1u6g h GLY 1009N -0.50 1.13 1.17 8.18 0.00 -1.84 0.13 103.07 111.34 1u6g h GLY 1009Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u6g h GLY 1009CO -0.48 -0.24 0.17 1.22 0.00 0.00 0.00 176.54 177.20 1u6g n ASP 1010N -5.17 0.00 -0.07 0.19 8.00 -0.87 -0.46 116.55 118.18 1u6g n ASP 1010Ca 0.16 0.27 -0.14 0.00 0.71 0.00 0.00 54.79 55.80 1u6g n ASP 1010Cb 0.52 -0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 1u6g n ASP 1010CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1u6g n PHE 1011N -1.25 0.00 0.00 1.24 3.01 0.39 -4.77 117.46 116.08 1u6g n PHE 1011Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1u6g n PHE 1011Cb 0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.13 1u6g n PHE 1011CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1u6g n LEU 1012N -3.49 0.00 -1.09 4.37 4.77 0.39 -0.83 117.00 121.13 1u6g n LEU 1012Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1u6g n LEU 1012Cb 0.71 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1u6g n LEU 1012CO 0.04 0.00 0.00 2.29 -1.33 0.00 0.00 177.39 178.39 1u6g n LYS 1013N 0.00 0.00 0.00 3.23 2.85 -0.85 0.32 118.16 123.70 1u6g n LYS 1013Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1u6g n LYS 1013Cb 0.00 -0.93 0.00 0.00 -0.65 0.00 0.00 35.03 33.45 1u6g n LYS 1013CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1u6g n THR 1014N 0.63 0.00 1.29 0.58 -2.24 -1.24 -4.82 114.28 108.47 1u6g n THR 1014Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1u6g n THR 1014Cb 0.00 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 68.59 1u6g n THR 1014CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1u6g n LEU 1015N -0.62 1.50 0.07 3.22 7.99 0.94 -4.04 117.00 126.05 1u6g n LEU 1015Ca 0.00 -0.48 -0.06 0.00 -0.01 0.00 0.00 56.01 55.46 1u6g n LEU 1015Cb 0.00 -0.05 0.10 0.00 -0.11 0.00 0.00 43.42 43.35 1u6g n LEU 1015CO 0.00 0.26 0.45 -0.33 -1.51 0.00 0.00 177.39 176.26 1u6g h GLU 1016N 2.10 0.29 -0.20 3.23 4.39 -1.62 -3.35 114.58 119.42 1u6g h GLU 1016Ca 0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1u6g h GLU 1016Cb 0.58 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1u6g h GLU 1016CO 0.00 0.82 0.00 -0.40 -1.16 0.00 0.00 179.01 178.27 1u6g n ASP 1017N -3.87 2.65 0.00 1.42 5.68 -1.26 -4.85 116.55 116.32 1u6g n ASP 1017Ca -0.03 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 1u6g n ASP 1017Cb 0.64 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1u6g n ASP 1017CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1u6g n PRO 1018N -0.05 0.00 -3.92 0.11 -0.04 -1.26 -5.04 135.00 124.80 1u6g n PRO 1018Ca 0.09 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.46 1u6g n PRO 1018Cb 0.42 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.79 1u6g n PRO 1018CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1u6g s ASP 1019N -1.46 0.20 0.93 3.54 1.01 -1.26 -4.96 116.67 114.66 1u6g s ASP 1019Ca 0.00 -0.63 0.00 0.00 0.71 0.00 0.00 52.55 52.63 1u6g s ASP 1019Cb 0.00 0.26 0.00 0.00 1.01 0.00 0.00 42.92 44.19 1u6g s ASP 1019CO 0.00 -0.59 0.00 0.00 0.21 0.00 0.00 175.17 174.79 1u6g n LEU 1020N 0.41 0.00 0.25 1.23 -0.00 -1.26 -3.16 117.00 114.47 1u6g n LEU 1020Ca -0.17 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.01 1u6g n LEU 1020Cb 0.60 0.00 0.90 0.00 -0.00 0.00 0.00 43.42 44.92 1u6g n LEU 1020CO 0.23 -0.03 1.15 0.78 -0.00 0.00 0.00 177.39 179.53 1u6g h ASN 1021N 8.42 0.00 -0.99 1.45 2.35 -2.00 -1.29 115.58 123.53 1u6g h ASN 1021Ca 0.00 0.00 0.20 0.00 -0.55 0.00 0.00 56.30 55.95 1u6g h ASN 1021Cb 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.27 1u6g h ASN 1021CO 0.00 0.00 0.61 0.58 -1.65 0.00 0.00 177.43 176.97 1u6g h VAL 1022N 0.00 0.70 -0.26 2.81 2.07 -1.87 0.29 116.25 119.98 1u6g h VAL 1022Ca 0.05 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1u6g h VAL 1022Cb 0.33 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1u6g h VAL 1022CO -0.00 0.12 0.12 0.03 0.02 0.00 0.00 177.57 177.86 1u6g h ARG 1023N 0.67 0.39 -0.07 1.57 3.08 -1.37 -1.38 114.38 117.28 1u6g h ARG 1023Ca 0.55 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.58 1u6g h ARG 1023Cb 0.99 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.93 1u6g h ARG 1023CO -0.33 0.39 -0.18 -0.09 -1.07 0.00 0.00 179.97 178.70 1u6g h ARG 1024N 0.29 -0.25 -0.71 0.04 2.43 -0.65 0.23 114.38 115.76 1u6g h ARG 1024Ca 0.09 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.42 1u6g h ARG 1024Cb 0.14 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 1u6g h ARG 1024CO -0.01 -0.16 0.48 0.28 -1.51 0.00 0.00 179.97 179.04 1u6g h VAL 1025N -0.26 0.81 0.77 0.20 2.07 -0.83 -0.86 116.25 118.15 1u6g h VAL 1025Ca 0.08 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1u6g h VAL 1025Cb 0.36 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1u6g h VAL 1025CO -0.22 0.07 -0.37 0.00 0.02 0.00 0.00 177.57 177.08 1u6g h ALA 1026N 1.66 -1.04 -0.83 1.67 0.00 0.48 -1.25 119.26 119.94 1u6g h ALA 1026Ca 0.34 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1u6g h ALA 1026Cb 0.80 0.40 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 1u6g h ALA 1026CO -0.10 -0.97 -0.30 -0.07 0.00 0.00 0.00 179.25 177.81 1u6g h LEU 1027N -1.26 -1.09 -0.61 0.00 3.38 0.17 0.35 115.31 116.24 1u6g h LEU 1027Ca -0.11 0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1u6g h LEU 1027Cb 0.79 0.62 -0.07 0.00 0.09 0.00 0.00 40.66 42.09 1u6g h LEU 1027CO 0.17 -0.29 0.24 0.58 0.09 0.00 0.00 178.44 179.23 1u6g h VAL 1028N -0.04 0.80 -0.27 1.22 2.07 -1.10 0.40 116.25 119.31 1u6g h VAL 1028Ca 0.35 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.69 1u6g h VAL 1028Cb 0.60 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1u6g h VAL 1028CO -0.87 0.08 0.05 0.74 0.02 0.00 0.00 177.57 177.59 1u6g h THR 1029N 0.44 1.14 -0.05 2.57 2.02 0.85 0.52 112.91 120.40 1u6g h THR 1029Ca 0.30 -0.50 -0.21 0.00 0.77 0.00 0.00 66.41 66.77 1u6g h THR 1029Cb 0.35 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1u6g h THR 1029CO -0.29 0.18 -0.85 0.15 0.37 0.00 0.00 175.52 175.08 1u6g h PHE 1030N 0.39 0.65 -0.17 3.16 3.57 0.82 -2.24 116.94 123.12 1u6g h PHE 1030Ca 0.09 -0.32 -0.02 0.00 3.53 0.00 0.00 57.97 61.24 1u6g h PHE 1030Cb 0.18 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1u6g h PHE 1030CO 0.00 1.12 0.01 -0.97 -2.23 0.00 0.00 178.31 176.24 1u6g h ASN 1031N 0.29 0.28 -0.66 0.41 -1.24 0.58 -1.90 115.58 113.34 1u6g h ASN 1031Ca -0.06 -0.30 0.09 0.00 0.71 0.00 0.00 56.30 56.74 1u6g h ASN 1031Cb 1.46 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 40.40 1u6g h ASN 1031CO 0.15 0.51 0.44 -1.28 -1.29 0.00 0.00 177.43 175.96 1u6g h SER 1032N 0.04 0.50 0.10 1.15 0.87 0.06 -2.45 113.55 113.82 1u6g h SER 1032Ca 0.05 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1u6g h SER 1032Cb 0.36 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1u6g h SER 1032CO 0.01 0.31 -0.05 0.00 -0.53 0.00 0.00 176.83 176.57 1u6g h ALA 1033N 1.66 -0.14 0.00 6.23 0.00 -1.20 -3.26 119.26 122.55 1u6g h ALA 1033Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1u6g h ALA 1033Cb 0.44 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1u6g h ALA 1033CO -0.10 -0.16 0.04 0.00 0.00 0.00 0.00 179.25 179.04 1u6g n ALA 1034N -2.67 0.95 0.04 0.00 0.00 -0.73 -1.31 120.51 116.79 1u6g n ALA 1034Ca -0.05 0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 1u6g n ALA 1034Cb 0.21 -1.10 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 1u6g n ALA 1034CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1u6g h HIS 1035N 0.00 0.57 -0.50 0.00 6.17 -1.51 -3.39 115.15 116.49 1u6g h HIS 1035Ca 0.00 -0.41 -0.35 0.00 0.71 0.00 0.00 60.37 60.32 1u6g h HIS 1035Cb 0.09 -0.02 -0.38 0.00 2.52 0.00 0.00 27.41 29.61 1u6g h HIS 1035CO 0.00 1.58 -0.94 0.27 0.71 0.00 0.00 177.93 179.54 1u6g n ASN 1036N -3.82 2.94 0.00 3.26 2.04 -0.82 -4.86 115.26 114.00 1u6g n ASN 1036Ca -0.24 -2.88 0.00 0.00 -0.44 0.00 0.00 54.58 51.02 1u6g n ASN 1036Cb 0.96 -0.41 0.00 0.00 -2.53 0.00 0.00 39.78 37.80 1u6g n ASN 1036CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 1u6g n LYS 1037N -0.60 0.00 0.03 -3.83 4.81 -0.43 -4.51 118.16 113.62 1u6g n LYS 1037Ca 0.23 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.68 1u6g n LYS 1037Cb 0.89 0.00 0.06 0.00 0.02 0.00 0.00 35.03 36.00 1u6g n LYS 1037CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1u6g n PRO 1038N 0.00 0.02 0.00 1.64 -0.02 -1.18 -1.95 135.00 133.51 1u6g n PRO 1038Ca 0.00 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1u6g n PRO 1038Cb 0.00 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1u6g n PRO 1038CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1u6g n SER 1039N -1.44 0.00 -0.04 2.55 3.41 -1.26 0.13 113.62 116.97 1u6g n SER 1039Ca -0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1u6g n SER 1039Cb 0.19 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.16 1u6g n SER 1039CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1u6g n LEU 1040N -0.82 1.40 0.00 1.04 4.77 -0.82 -4.77 117.00 117.81 1u6g n LEU 1040Ca 0.00 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 1u6g n LEU 1040Cb 0.00 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1u6g n LEU 1040CO 0.00 0.38 -0.49 -0.38 -1.33 0.00 0.00 177.39 175.57 1u6g n ILE 1041N -0.46 0.00 -0.12 -0.08 2.08 0.34 -4.78 119.36 116.35 1u6g n ILE 1041Ca 0.02 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.30 1u6g n ILE 1041Cb 0.39 -0.71 -0.03 0.00 -0.75 0.00 0.00 39.64 38.55 1u6g n ILE 1041CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1u6g n ARG 1042N -2.59 -0.13 -0.23 0.38 1.74 -0.78 0.65 116.66 115.71 1u6g n ARG 1042Ca 0.00 0.62 -0.02 0.00 -0.77 0.00 0.00 57.85 57.69 1u6g n ARG 1042Cb 0.49 -0.92 0.10 0.00 -1.02 0.00 0.00 32.46 31.11 1u6g n ARG 1042CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1u6g h ASP 1043N 0.00 0.55 0.61 0.55 3.32 -1.89 -2.89 116.42 116.68 1u6g h ASP 1043Ca 0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1u6g h ASP 1043Cb 0.12 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1u6g h ASP 1043CO -0.27 0.36 0.00 0.18 -1.72 0.00 0.00 179.24 177.79 1u6g n LEU 1044N -4.79 0.00 0.07 1.55 4.77 0.21 -4.16 117.00 114.65 1u6g n LEU 1044Ca 0.08 0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 56.43 1u6g n LEU 1044Cb 0.17 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.70 1u6g n LEU 1044CO 0.29 -0.20 0.60 -0.07 -1.33 0.00 0.00 177.39 176.69 1u6g h LEU 1045N 0.00 -1.17 -0.97 2.23 3.38 -1.13 -0.75 115.31 116.90 1u6g h LEU 1045Ca 0.00 0.14 0.28 0.00 0.09 0.00 0.00 57.88 58.39 1u6g h LEU 1045Cb 0.30 0.46 -0.18 0.00 0.09 0.00 0.00 40.66 41.34 1u6g h LEU 1045CO 0.00 -0.44 0.11 0.44 0.09 0.00 0.00 178.44 178.64 1u6g h ASP 1046N -0.56 -0.33 0.06 -0.43 3.32 -1.82 0.21 116.42 116.88 1u6g h ASP 1046Ca 0.05 0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 1u6g h ASP 1046Cb 0.63 0.43 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1u6g h ASP 1046CO -0.29 -0.34 -0.03 0.74 -1.72 0.00 0.00 179.24 177.61 1u6g h THR 1047N 0.03 1.05 0.24 0.35 2.02 -1.77 -3.40 112.91 111.44 1u6g h THR 1047Ca 0.62 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 1u6g h THR 1047Cb 1.32 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1u6g h THR 1047CO -0.86 0.32 -0.13 0.58 0.37 0.00 0.00 175.52 175.80 1u6g h VAL 1048N -0.92 0.00 -0.29 3.16 2.07 -0.27 -3.34 116.25 116.67 1u6g h VAL 1048Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1u6g h VAL 1048Cb 0.59 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1u6g h VAL 1048CO 0.01 0.00 -0.13 0.18 0.02 0.00 0.00 177.57 177.65 1u6g n LEU 1049N -3.01 -0.23 -0.12 2.57 4.77 0.66 -0.01 117.00 121.64 1u6g n LEU 1049Ca -0.04 0.51 -0.14 0.00 -0.03 0.00 0.00 56.01 56.31 1u6g n LEU 1049Cb 0.14 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 1u6g n LEU 1049CO 0.10 -0.44 0.51 -0.65 -1.33 0.00 0.00 177.39 175.58 1u6g h PRO 1050N 0.00 -0.40 -0.05 3.23 0.11 -1.77 0.12 132.00 133.23 1u6g h PRO 1050Ca 0.08 0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.25 1u6g h PRO 1050Cb 0.15 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.29 1u6g h PRO 1050CO -0.28 -0.27 -0.46 0.45 -0.21 0.00 0.00 178.00 177.23 1u6g h HIS 1051N -0.42 -1.34 -0.96 0.65 3.86 -0.61 0.19 115.15 116.53 1u6g h HIS 1051Ca 0.08 0.05 0.28 0.00 -1.16 0.00 0.00 60.37 59.62 1u6g h HIS 1051Cb 0.61 0.59 -0.18 0.00 1.06 0.00 0.00 27.41 29.49 1u6g h HIS 1051CO -0.70 -0.52 0.09 -0.11 0.86 0.00 0.00 177.93 177.56 1u6g n LEU 1052N -5.45 -0.04 -0.01 2.43 0.00 -0.44 0.19 117.00 113.68 1u6g n LEU 1052Ca -0.06 1.62 -0.13 0.00 0.00 0.00 0.00 56.01 57.44 1u6g n LEU 1052Cb 0.38 -0.62 -0.01 0.00 0.00 0.00 0.00 43.42 43.17 1u6g n LEU 1052CO 0.13 -1.67 0.37 1.88 0.00 0.00 0.00 177.39 178.10 1u6g h TYR 1053N 0.00 0.86 -0.60 1.96 0.99 0.81 -3.07 116.97 117.93 1u6g h TYR 1053Ca 0.62 -0.35 0.04 0.00 2.00 0.00 0.00 58.73 61.04 1u6g h TYR 1053Cb 1.34 -0.15 -0.03 0.00 1.00 0.00 0.00 36.73 38.89 1u6g h TYR 1053CO -0.42 1.14 0.40 -0.91 -0.00 0.00 0.00 178.16 178.37 1u6g h ASN 1054N 0.48 0.58 0.60 3.88 2.35 0.51 0.27 115.58 124.25 1u6g h ASN 1054Ca -0.02 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1u6g h ASN 1054Cb 1.26 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1u6g h ASN 1054CO 0.13 0.39 0.00 1.21 -1.65 0.00 0.00 177.43 177.51 1u6g n GLU 1055N -4.47 0.19 0.14 0.81 4.07 0.18 -2.68 120.64 118.89 1u6g n GLU 1055Ca 0.07 0.08 0.13 0.00 -0.06 0.00 0.00 57.16 57.38 1u6g n GLU 1055Cb 0.16 -1.50 0.38 0.00 -0.06 0.00 0.00 31.44 30.42 1u6g n GLU 1055CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1u6g h THR 1056N 0.00 0.00 -4.43 6.31 1.03 -0.42 -3.36 112.91 112.04 1u6g h THR 1056Ca 0.00 -0.57 -0.46 0.00 -0.01 0.00 0.00 66.41 65.37 1u6g h THR 1056Cb 0.30 1.54 0.12 0.00 -1.07 0.00 0.00 68.15 69.04 1u6g h THR 1056CO 0.00 0.00 0.38 -0.54 -0.01 0.00 0.00 175.52 175.35 1u6g s LYS 1057N -3.18 1.54 -0.22 0.00 -0.14 -1.09 -4.99 119.74 111.66 1u6g s LYS 1057Ca 0.09 0.10 -0.09 0.00 -1.36 0.00 0.00 55.97 54.71 1u6g s LYS 1057Cb 0.10 -1.90 -0.04 0.00 -1.68 0.00 0.00 37.83 34.31 1u6g s LYS 1057CO 0.59 -1.89 0.10 0.08 -0.76 0.00 0.00 175.35 173.47 1u6g s VAL 1058N -3.52 4.91 -0.91 3.17 1.01 -1.26 -4.91 120.40 118.89 1u6g s VAL 1058Ca 0.64 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.51 1u6g s VAL 1058Cb -0.11 -3.26 0.23 0.00 0.00 0.00 0.00 36.38 33.24 1u6g s VAL 1058CO 0.51 0.39 0.88 -0.13 0.00 0.00 0.00 175.10 176.75 1u6g s ARG 1059N 0.88 3.77 0.65 2.72 0.52 -1.26 -4.89 118.95 121.34 1u6g s ARG 1059Ca 0.05 -2.63 0.14 0.00 -0.52 0.00 0.00 55.73 52.77 1u6g s ARG 1059Cb -0.13 -4.49 0.76 0.00 0.52 0.00 0.00 34.95 31.61 1u6g s ARG 1059CO 0.03 -1.31 1.42 0.87 0.02 0.00 0.00 175.30 176.34 1u6g h LYS 1060N 7.53 0.00 0.00 3.54 1.57 -1.97 1.00 116.57 128.24 1u6g h LYS 1060Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1u6g h LYS 1060Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1u6g h LYS 1060CO 0.84 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.87 1u6g n GLU 1061N -2.66 0.26 -0.85 3.15 0.00 -1.26 -3.04 120.64 116.24 1u6g n GLU 1061Ca -0.01 0.23 -0.08 0.00 0.00 0.00 0.00 57.16 57.30 1u6g n GLU 1061Cb 0.70 -1.81 0.22 0.00 0.00 0.00 0.00 31.44 30.55 1u6g n GLU 1061CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1u6g n LEU 1062N -2.26 5.39 -3.94 -1.84 4.77 0.35 -4.86 117.00 114.62 1u6g n LEU 1062Ca 0.05 -2.81 -0.24 0.00 -0.03 0.00 0.00 56.01 52.98 1u6g n LEU 1062Cb 0.42 -0.71 -0.17 0.00 -2.33 0.00 0.00 43.42 40.63 1u6g n LEU 1062CO 0.30 0.76 -0.44 -0.63 -1.33 0.00 0.00 177.39 176.04 1u6g s ILE 1063N -2.50 0.91 0.22 -0.08 1.01 -1.17 -0.24 121.20 119.35 1u6g s ILE 1063Ca 0.44 -0.29 0.10 0.00 0.00 0.00 0.00 60.65 60.90 1u6g s ILE 1063Cb 0.35 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 1u6g s ILE 1063CO 0.10 0.32 -0.20 -0.13 0.00 0.00 0.00 174.94 175.04 1u6g s ARG 1064N 1.17 1.48 0.30 2.79 0.52 -0.62 -4.98 118.95 119.62 1u6g s ARG 1064Ca -0.06 -1.59 0.07 0.00 -0.52 0.00 0.00 55.73 53.64 1u6g s ARG 1064Cb -0.14 -1.59 -0.03 0.00 0.52 0.00 0.00 34.95 33.71 1u6g s ARG 1064CO -0.02 0.31 0.26 -1.21 0.02 0.00 0.00 175.30 174.66 1u6g s GLU 1065N -3.11 2.83 -0.38 3.54 0.41 -1.26 -1.38 118.70 119.35 1u6g s GLU 1065Ca 0.23 -1.17 0.02 0.00 -0.41 0.00 0.00 54.97 53.64 1u6g s GLU 1065Cb -0.05 -2.53 0.16 0.00 -1.78 0.00 0.00 34.13 29.92 1u6g s GLU 1065CO 0.10 0.23 0.30 0.08 -0.49 0.00 0.00 175.26 175.48 1u6g s VAL 1066N -2.22 0.18 0.49 2.63 1.01 0.52 -4.91 120.40 118.10 1u6g s VAL 1066Ca 0.37 -2.12 -0.19 0.00 0.00 0.00 0.00 61.98 60.05 1u6g s VAL 1066Cb -0.07 -1.13 -0.08 0.00 0.00 0.00 0.00 36.38 35.10 1u6g s VAL 1066CO 0.26 -1.07 1.00 -0.70 0.00 0.00 0.00 175.10 174.59 1u6g s GLU 1067N 0.59 3.91 -0.39 2.72 2.12 -1.26 -1.15 118.70 125.24 1u6g s GLU 1067Ca 0.26 1.13 -0.01 0.00 0.36 0.00 0.00 54.97 56.71 1u6g s GLU 1067Cb -0.09 -2.13 0.19 0.00 0.26 0.00 0.00 34.13 32.37 1u6g s GLU 1067CO -0.10 -0.31 0.89 -1.64 -0.54 0.00 0.00 175.26 173.57 1u6g s MET 1068N -3.61 0.54 4.89 4.30 -1.94 0.30 -4.96 119.30 118.83 1u6g s MET 1068Ca 0.62 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 54.24 1u6g s MET 1068Cb -0.12 0.02 0.00 0.00 2.01 0.00 0.00 34.83 36.74 1u6g s MET 1068CO 0.24 -0.72 0.00 0.41 -0.01 0.00 0.00 175.02 174.94 1u6g n GLY 1069N 3.43 1.36 0.26 -0.03 0.00 -1.26 -2.55 105.19 106.39 1u6g n GLY 1069Ca 0.11 -0.70 0.15 0.00 0.00 0.00 0.00 46.02 45.57 1u6g n GLY 1069CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u6g h PRO 1070N 0.00 0.00 -6.57 1.61 0.11 -2.01 -3.44 132.00 121.70 1u6g h PRO 1070Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 1u6g h PRO 1070Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1u6g h PRO 1070CO 0.00 0.07 0.39 -0.06 -0.21 0.00 0.00 178.00 178.18 1u6g s PHE 1071N -3.65 3.76 -0.02 0.65 0.40 -1.06 -5.06 117.98 113.01 1u6g s PHE 1071Ca 0.01 1.75 0.01 0.00 -0.60 0.00 0.00 56.93 58.10 1u6g s PHE 1071Cb 0.09 -3.10 0.01 0.00 0.51 0.00 0.00 43.02 40.53 1u6g s PHE 1071CO 0.58 0.02 -0.04 0.15 0.70 0.00 0.00 175.22 176.63 1u6g s LYS 1072N 0.02 0.54 -0.11 0.44 1.02 -1.26 -0.54 119.74 119.85 1u6g s LYS 1072Ca 0.48 -0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.37 1u6g s LYS 1072Cb -0.24 -0.56 0.00 0.00 -0.52 0.00 0.00 37.83 36.51 1u6g s LYS 1072CO 0.31 0.03 -0.23 -1.58 -0.92 0.00 0.00 175.35 172.96 1u6g s HIS 1073N 0.33 2.61 -0.18 3.18 2.46 -0.30 -4.89 115.29 118.49 1u6g s HIS 1073Ca -0.04 -1.10 -0.12 0.00 0.47 0.00 0.00 55.06 54.27 1u6g s HIS 1073Cb -0.07 -1.75 -0.05 0.00 -0.13 0.00 0.00 32.58 30.58 1u6g s HIS 1073CO -0.00 -0.46 0.23 0.99 -2.47 0.00 0.00 174.74 173.03 1u6g s THR 1074N 0.47 5.34 -0.18 0.89 2.01 -1.26 -0.35 115.64 122.56 1u6g s THR 1074Ca -0.15 0.42 -0.02 0.00 0.31 0.00 0.00 61.69 62.24 1u6g s THR 1074Cb -0.17 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 1u6g s THR 1074CO 0.06 0.41 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 1u6g s VAL 1075N 0.44 3.16 -0.40 3.82 1.01 -0.48 -5.00 120.40 122.95 1u6g s VAL 1075Ca 0.13 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1u6g s VAL 1075Cb -0.12 -2.39 0.12 0.00 0.00 0.00 0.00 36.38 33.99 1u6g s VAL 1075CO 0.02 0.48 0.16 -0.62 0.00 0.00 0.00 175.10 175.13 1u6g s ASP 1076N 0.97 4.16 0.55 3.32 -1.08 -1.26 -1.58 116.67 121.75 1u6g s ASP 1076Ca -0.01 -2.35 0.37 0.00 -0.52 0.00 0.00 52.55 50.04 1u6g s ASP 1076Cb -0.15 -1.27 1.92 0.00 -1.46 0.00 0.00 42.92 41.97 1u6g s ASP 1076CO -0.01 -0.32 2.12 0.44 0.52 0.00 0.00 175.17 177.92 1u6g h ASP 1077N 7.24 0.00 1.38 -0.34 3.45 -1.00 -2.32 116.42 124.82 1u6g h ASP 1077Ca -0.06 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.27 1u6g h ASP 1077Cb 0.96 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.72 1u6g h ASP 1077CO 0.53 0.00 -0.62 1.23 -1.57 0.00 0.00 179.24 178.81 1u6g h GLY 1078N 0.41 0.00 -0.67 2.75 0.00 -1.89 -3.37 103.07 100.30 1u6g h GLY 1078Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 47.33 47.63 1u6g h GLY 1078CO 0.00 0.00 0.36 -2.00 0.00 0.00 0.00 176.54 174.90 1u6g h LEU 1079N 0.00 0.14 -0.04 3.11 6.46 -1.77 -0.04 115.31 123.16 1u6g h LEU 1079Ca -0.01 0.22 -0.11 0.00 -0.12 0.00 0.00 57.88 57.86 1u6g h LEU 1079Cb 1.48 0.27 0.01 0.00 -0.73 0.00 0.00 40.66 41.68 1u6g h LEU 1079CO 0.08 -0.24 -0.42 0.44 -0.62 0.00 0.00 178.44 177.68 1u6g h ASP 1080N 0.17 0.44 -0.31 1.25 3.32 -1.79 0.06 116.42 119.55 1u6g h ASP 1080Ca 0.67 -0.71 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1u6g h ASP 1080Cb 1.53 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 1u6g h ASP 1080CO -0.71 1.08 0.18 0.16 -1.72 0.00 0.00 179.24 178.23 1u6g h ILE 1081N -0.16 1.12 -0.29 0.35 3.07 -1.68 -1.20 117.51 118.72 1u6g h ILE 1081Ca -0.04 -0.31 -0.00 0.00 1.55 0.00 0.00 64.86 66.05 1u6g h ILE 1081Cb 1.11 0.76 -0.01 0.00 -0.27 0.00 0.00 36.82 38.41 1u6g h ILE 1081CO 0.09 0.12 0.16 -0.09 -1.05 0.00 0.00 178.15 177.38 1u6g h ARG 1082N 0.39 0.40 0.00 0.16 2.43 -1.05 0.12 114.38 116.83 1u6g h ARG 1082Ca 0.11 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 1u6g h ARG 1082Cb 0.04 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1u6g h ARG 1082CO -0.02 0.29 -0.49 -0.22 -1.51 0.00 0.00 179.97 178.03 1u6g h LYS 1083N 0.40 0.00 0.00 0.20 3.11 -0.21 -2.43 116.57 117.65 1u6g h LYS 1083Ca 0.11 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.86 1u6g h LYS 1083Cb 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 1u6g h LYS 1083CO -0.02 0.49 -0.41 0.00 -2.81 0.00 0.00 179.45 176.70 1u6g h ALA 1084N 1.51 0.80 0.35 5.00 0.00 0.37 -2.62 119.26 124.68 1u6g h ALA 1084Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1u6g h ALA 1084Cb 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1u6g h ALA 1084CO 0.06 0.51 -0.17 0.00 0.00 0.00 0.00 179.25 179.65 1u6g h ALA 1085N 1.59 -0.48 -0.24 0.00 0.00 -0.77 -2.41 119.26 116.95 1u6g h ALA 1085Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1u6g h ALA 1085Cb 1.18 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1u6g h ALA 1085CO 0.05 -0.56 0.15 0.74 0.00 0.00 0.00 179.25 179.63 1u6g h PHE 1086N -0.89 0.31 0.00 0.00 -1.00 -1.57 0.44 116.94 114.23 1u6g h PHE 1086Ca -0.05 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1u6g h PHE 1086Cb 0.53 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.99 1u6g h PHE 1086CO 0.03 0.20 0.00 1.49 -1.61 0.00 0.00 178.31 178.42 1u6g h GLU 1087N 0.33 0.00 0.18 1.51 4.57 -1.39 -1.22 114.58 118.57 1u6g h GLU 1087Ca 0.09 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.01 1u6g h GLU 1087Cb -0.02 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1u6g h GLU 1087CO -0.02 0.00 -1.19 0.00 -1.18 0.00 0.00 179.01 176.62 1u6g h MET 1089N -0.15 0.01 -0.81 0.00 2.86 -0.87 -1.52 114.93 114.45 1u6g h MET 1089Ca -0.22 -0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.60 1u6g h MET 1089Cb 1.87 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.48 1u6g h MET 1089CO 0.19 0.01 0.54 -0.92 1.06 0.00 0.00 176.91 177.79 1u6g h TYR 1090N 0.01 0.40 0.02 -0.22 3.20 -1.36 -0.23 116.97 118.78 1u6g h TYR 1090Ca 0.06 0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.73 1u6g h TYR 1090Cb 0.08 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1u6g h TYR 1090CO -0.16 0.13 -0.92 1.15 -1.64 0.00 0.00 178.16 176.72 1u6g h THR 1091N 0.32 1.51 -0.12 1.81 2.02 -1.33 -2.96 112.91 114.16 1u6g h THR 1091Ca 0.40 -2.71 -0.01 0.00 0.77 0.00 0.00 66.41 64.87 1u6g h THR 1091Cb 1.10 2.53 -0.01 0.00 -1.74 0.00 0.00 68.15 70.03 1u6g h THR 1091CO -0.12 0.79 0.02 -0.07 0.37 0.00 0.00 175.52 176.51 1u6g h LEU 1092N 0.10 0.14 -0.90 2.58 3.38 -0.27 -2.82 115.31 117.52 1u6g h LEU 1092Ca -0.05 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.05 1u6g h LEU 1092Cb 1.57 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 42.20 1u6g h LEU 1092CO 0.14 0.16 0.51 0.25 0.09 0.00 0.00 178.44 179.59 1u6g h LEU 1093N 0.16 0.68 -0.17 1.67 5.85 -1.27 -2.66 115.31 119.57 1u6g h LEU 1093Ca 0.04 0.07 -0.23 0.00 0.84 0.00 0.00 57.88 58.61 1u6g h LEU 1093Cb 0.08 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.07 1u6g h LEU 1093CO -0.00 0.32 -0.92 0.44 -0.34 0.00 0.00 178.44 177.93 1u6g h ASP 1094N 0.76 0.63 0.00 1.25 5.19 -1.61 -3.45 116.42 119.18 1u6g h ASP 1094Ca 0.48 -0.49 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1u6g h ASP 1094Cb 0.60 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1u6g h ASP 1094CO -0.32 1.28 0.00 -1.54 -3.12 0.00 0.00 179.24 175.54 1u6g n SER 1095N -3.79 0.00 -4.51 6.45 3.41 -1.01 -4.95 113.62 109.22 1u6g n SER 1095Ca -0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.21 1u6g n SER 1095Cb 0.82 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.63 1u6g n SER 1095CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u6g n LEU 1097N 10.74 0.00 0.05 0.00 7.94 -1.25 -4.37 117.00 130.10 1u6g n LEU 1097Ca 0.60 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 55.36 1u6g n LEU 1097Cb 0.18 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.99 1u6g n LEU 1097CO 0.91 0.00 -0.34 0.44 -1.11 0.00 0.00 177.39 177.29 1u6g h ASP 1098N 0.00 0.29 0.07 1.96 5.19 -1.93 -3.24 116.42 118.76 1u6g h ASP 1098Ca 0.00 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1u6g h ASP 1098Cb 0.01 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1u6g h ASP 1098CO 0.00 1.36 0.00 0.54 -3.12 0.00 0.00 179.24 178.02 1u6g n ARG 1099N -3.38 0.65 -3.41 3.56 1.74 -1.26 -4.74 116.66 109.82 1u6g n ARG 1099Ca -0.16 0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.56 1u6g n ARG 1099Cb 1.03 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.91 1u6g n ARG 1099CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1u6g s LEU 1100N -2.10 4.23 -0.57 0.55 1.43 -1.23 -4.94 118.68 116.05 1u6g s LEU 1100Ca 0.32 0.62 -0.26 0.00 -1.03 0.00 0.00 54.13 53.78 1u6g s LEU 1100Cb 0.16 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1u6g s LEU 1100CO 0.28 0.01 2.04 -0.62 0.23 0.00 0.00 176.35 178.28 1u6g s ASP 1101N 0.71 5.00 0.48 2.29 -1.08 -1.26 -4.81 116.67 118.00 1u6g s ASP 1101Ca 0.21 0.58 0.29 0.00 -0.52 0.00 0.00 52.55 53.10 1u6g s ASP 1101Cb -0.14 -2.52 1.37 0.00 -1.46 0.00 0.00 42.92 40.17 1u6g s ASP 1101CO 0.07 -2.54 1.79 0.40 0.52 0.00 0.00 175.17 175.41 1u6g h ILE 1102N 7.15 0.45 0.03 4.11 1.08 -1.93 -2.53 117.51 125.87 1u6g h ILE 1102Ca -0.25 -0.05 -0.26 0.00 -0.39 0.00 0.00 64.86 63.91 1u6g h ILE 1102Cb 1.20 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 1u6g h ILE 1102CO 1.20 0.03 -1.34 -0.26 -0.69 0.00 0.00 178.15 177.08 1u6g h PHE 1103N 0.15 0.12 -0.70 1.37 -1.00 -1.95 -2.82 116.94 112.12 1u6g h PHE 1103Ca 0.58 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 61.25 1u6g h PHE 1103Cb 1.96 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 41.48 1u6g h PHE 1103CO -0.00 1.10 0.36 0.93 -1.61 0.00 0.00 178.31 179.08 1u6g h GLU 1104N 0.02 0.99 0.60 1.51 4.39 -1.86 0.17 114.58 120.40 1u6g h GLU 1104Ca -0.15 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 1u6g h GLU 1104Cb 1.91 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 30.35 1u6g h GLU 1104CO 0.12 0.77 -0.51 0.35 -1.16 0.00 0.00 179.01 178.58 1u6g h PHE 1105N 0.97 -1.40 0.00 4.33 3.57 -1.60 -1.82 116.94 120.99 1u6g h PHE 1105Ca 0.24 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1u6g h PHE 1105Cb 0.08 0.53 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1u6g h PHE 1105CO 0.00 -0.70 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.30 1u6g h LEU 1106N -1.08 0.00 0.63 0.59 4.07 -1.25 0.85 115.31 119.12 1u6g h LEU 1106Ca -0.08 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 1u6g h LEU 1106Cb 0.92 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.66 1u6g h LEU 1106CO -0.01 0.01 -0.30 0.78 -1.08 0.00 0.00 178.44 177.84 1u6g h ASN 1107N 0.00 -0.71 0.19 -0.43 2.35 0.09 -2.21 115.58 114.86 1u6g h ASN 1107Ca -0.00 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1u6g h ASN 1107Cb 0.04 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1u6g h ASN 1107CO 0.00 -0.44 -0.24 0.45 -1.65 0.00 0.00 177.43 175.56 1u6g h HIS 1108N -0.96 0.09 -0.45 1.19 3.86 -0.57 -2.33 115.15 115.99 1u6g h HIS 1108Ca -0.09 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.02 1u6g h HIS 1108Cb 0.68 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.11 1u6g h HIS 1108CO -0.01 0.32 -0.10 0.28 0.86 0.00 0.00 177.93 179.28 1u6g h VAL 1109N 0.08 1.26 -0.63 2.45 2.07 -0.81 -2.05 116.25 118.62 1u6g h VAL 1109Ca 0.01 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.39 1u6g h VAL 1109Cb 0.46 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1u6g h VAL 1109CO 0.03 0.40 0.40 -0.08 0.02 0.00 0.00 177.57 178.34 1u6g h GLU 1110N 0.72 0.79 -0.04 1.57 4.81 -0.85 0.19 114.58 121.77 1u6g h GLU 1110Ca 0.12 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1u6g h GLU 1110Cb 0.58 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1u6g h GLU 1110CO 0.04 0.52 0.11 0.22 -0.73 0.00 0.00 179.01 179.17 1u6g h ASP 1111N 0.81 0.00 -2.20 1.04 3.58 -1.13 -3.26 116.42 115.26 1u6g h ASP 1111Ca 0.24 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 57.10 1u6g h ASP 1111Cb -0.05 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 40.59 1u6g h ASP 1111CO -0.07 0.00 -0.65 0.61 -2.88 0.00 0.00 179.24 176.25 1u6g n GLY 1112N -1.21 4.91 0.00 -0.78 0.00 0.05 -3.89 105.19 104.27 1u6g n GLY 1112Ca -0.02 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.31 1u6g n GLY 1112CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u6g n LEU 1113N 0.55 0.00 -0.97 0.99 4.77 -1.23 -4.46 117.00 116.64 1u6g n LEU 1113Ca 0.30 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 1u6g n LEU 1113Cb 0.42 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.75 1u6g n LEU 1113CO 0.37 0.00 0.70 2.29 -1.33 0.00 0.00 177.39 179.43 1u6g n LYS 1114N -0.29 3.10 0.00 3.23 2.85 -1.26 -4.91 118.16 120.88 1u6g n LYS 1114Ca 0.00 -2.51 0.00 0.00 -1.05 0.00 0.00 58.31 54.75 1u6g n LYS 1114Cb 0.00 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 1u6g n LYS 1114CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1u6g n ASP 1115N 0.43 0.00 -4.87 -5.58 4.64 -1.25 -5.06 116.55 104.85 1u6g n ASP 1115Ca 0.18 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 53.29 1u6g n ASP 1115Cb 0.68 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.71 1u6g n ASP 1115CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 1u6g s HIS 1116N 1.84 3.41 0.20 -0.67 5.04 -1.26 -4.90 115.29 118.95 1u6g s HIS 1116Ca 0.00 0.20 -0.20 0.00 -1.54 0.00 0.00 55.06 53.52 1u6g s HIS 1116Cb 0.00 -1.72 0.16 0.00 0.04 0.00 0.00 32.58 31.06 1u6g s HIS 1116CO 0.00 0.57 1.58 -0.92 -2.34 0.00 0.00 174.74 173.63 1u6g h TYR 1117N 3.15 -0.95 -0.30 3.88 -0.00 -1.97 1.15 116.97 121.94 1u6g h TYR 1117Ca -0.46 0.08 0.05 0.00 -0.00 0.00 0.00 58.73 58.41 1u6g h TYR 1117Cb 1.16 0.52 -0.01 0.00 -0.00 0.00 0.00 36.73 38.39 1u6g h TYR 1117CO 0.61 -0.39 0.21 -0.44 -0.00 0.00 0.00 178.16 178.15 1u6g h ASP 1118N -0.12 0.15 1.57 -2.11 3.45 -2.02 -0.84 116.42 116.50 1u6g h ASP 1118Ca 0.26 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.70 1u6g h ASP 1118Cb 0.56 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1u6g h ASP 1118CO -0.75 0.10 -0.44 0.40 -1.57 0.00 0.00 179.24 176.98 1u6g h ILE 1119N 0.17 0.11 0.32 0.35 2.04 0.72 -3.36 117.51 117.86 1u6g h ILE 1119Ca 0.13 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 1u6g h ILE 1119Cb 0.31 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1u6g h ILE 1119CO -0.02 0.06 -0.15 0.11 0.00 0.00 0.00 178.15 178.15 1u6g h LYS 1120N 0.00 -0.41 -0.89 2.37 1.57 0.12 -3.02 116.57 116.31 1u6g h LYS 1120Ca -0.01 0.03 0.26 0.00 -1.87 0.00 0.00 60.65 59.06 1u6g h LYS 1120Cb 1.07 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 1u6g h LYS 1120CO 0.01 -0.08 1.00 0.52 -0.57 0.00 0.00 179.45 180.32 1u6g h MET 1121N -0.88 0.00 0.05 3.15 2.86 -1.67 0.25 114.93 118.68 1u6g h MET 1121Ca -0.04 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1u6g h MET 1121Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1u6g h MET 1121CO 0.07 0.00 -0.02 1.25 1.06 0.00 0.00 176.91 179.27 1u6g h LEU 1122N 0.00 -0.05 -0.99 1.22 6.46 -1.71 -3.24 115.31 116.99 1u6g h LEU 1122Ca 0.42 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 58.26 1u6g h LEU 1122Cb 2.41 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 42.28 1u6g h LEU 1122CO -0.00 0.26 0.64 0.74 -0.62 0.00 0.00 178.44 179.45 1u6g h THR 1123N -0.66 1.06 -0.62 1.05 2.02 -0.98 0.19 112.91 114.96 1u6g h THR 1123Ca -0.01 -0.39 0.12 0.00 0.77 0.00 0.00 66.41 66.90 1u6g h THR 1123Cb 0.05 -0.17 -0.09 0.00 -1.74 0.00 0.00 68.15 66.20 1u6g h THR 1123CO 0.01 0.21 0.14 -0.26 0.37 0.00 0.00 175.52 175.98 1u6g h PHE 1124N 1.13 0.22 -0.47 3.16 0.05 -0.76 0.72 116.94 120.99 1u6g h PHE 1124Ca 0.44 0.04 -0.14 0.00 3.82 0.00 0.00 57.97 62.13 1u6g h PHE 1124Cb 0.22 -0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.16 1u6g h PHE 1124CO -0.01 -0.03 -0.25 1.25 -0.18 0.00 0.00 178.31 179.09 1u6g h LEU 1125N 0.27 1.03 -1.64 1.54 5.85 -1.16 -2.23 115.31 118.97 1u6g h LEU 1125Ca 0.33 -0.41 0.08 0.00 0.84 0.00 0.00 57.88 58.72 1u6g h LEU 1125Cb 0.50 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1u6g h LEU 1125CO -0.41 1.21 0.37 0.24 -0.34 0.00 0.00 178.44 179.51 1u6g h MET 1126N 0.85 0.42 0.58 1.25 2.86 0.21 0.11 114.93 121.21 1u6g h MET 1126Ca 0.10 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1u6g h MET 1126Cb 0.83 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.40 1u6g h MET 1126CO 0.07 0.28 -0.28 -0.07 1.06 0.00 0.00 176.91 177.97 1u6g h LEU 1127N 0.43 -0.66 -1.74 1.22 3.38 0.88 -0.24 115.31 118.58 1u6g h LEU 1127Ca 0.25 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.33 1u6g h LEU 1127Cb 0.41 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1u6g h LEU 1127CO -0.07 -0.29 0.62 0.58 0.09 0.00 0.00 178.44 179.37 1u6g h VAL 1128N -1.09 0.25 0.05 1.22 2.07 -0.75 0.92 116.25 118.92 1u6g h VAL 1128Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1u6g h VAL 1128Cb 0.65 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1u6g h VAL 1128CO 0.13 0.00 -0.02 0.03 0.02 0.00 0.00 177.57 177.73 1u6g h ARG 1129N 0.00 -0.06 0.00 1.57 2.47 -0.49 -3.20 114.38 114.67 1u6g h ARG 1129Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 1u6g h ARG 1129Cb 1.48 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.81 1u6g h ARG 1129CO -0.00 0.53 0.00 -0.07 0.56 0.00 0.00 179.97 180.99 1u6g h LEU 1130N -0.92 0.00 0.10 3.04 3.38 0.15 -0.16 115.31 120.90 1u6g h LEU 1130Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1u6g h LEU 1130Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1u6g h LEU 1130CO 0.01 0.00 -0.05 0.28 0.09 0.00 0.00 178.44 178.77 1u6g h SER 1131N 0.00 -0.12 0.00 -0.43 0.02 0.64 -3.35 113.55 110.31 1u6g h SER 1131Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1u6g h SER 1131Cb 0.11 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1u6g h SER 1131CO 0.00 -0.07 0.00 0.41 -1.14 0.00 0.00 176.83 176.03 1u6g n THR 1132N -2.45 0.00 -0.71 -2.27 -1.04 -0.95 -4.11 114.28 102.75 1u6g n THR 1132Ca -0.02 1.27 -0.33 0.00 -2.04 0.00 0.00 64.05 62.93 1u6g n THR 1132Cb 0.05 -2.08 0.16 0.00 -1.82 0.00 0.00 70.33 66.64 1u6g n THR 1132CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1u6g n LEU 1133N -1.61 -2.21 -0.01 -4.42 4.77 -0.11 -4.26 117.00 109.15 1u6g n LEU 1133Ca 0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1u6g n LEU 1133Cb 0.00 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1u6g n LEU 1133CO 0.00 -3.13 0.00 0.00 -1.33 0.00 0.00 177.39 172.93 1u6g h PRO 1135N 0.01 0.54 -0.84 0.00 0.11 -1.72 -3.38 132.00 126.71 1u6g h PRO 1135Ca 0.00 -0.54 0.15 0.00 0.11 0.00 0.00 66.00 65.72 1u6g h PRO 1135Cb 0.00 0.15 -0.06 0.00 0.11 0.00 0.00 31.00 31.19 1u6g h PRO 1135CO 0.00 1.17 0.55 0.66 -0.21 0.00 0.00 178.00 180.17 1u6g h SER 1136N 0.32 0.52 0.25 -2.05 4.64 -1.93 0.40 113.55 115.71 1u6g h SER 1136Ca -0.09 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1u6g h SER 1136Cb 1.56 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1u6g h SER 1136CO 0.17 0.26 -0.12 0.00 -0.87 0.00 0.00 176.83 176.26 1u6g n ALA 1137N -2.48 2.81 -0.03 5.18 0.00 -1.26 -3.02 120.51 121.71 1u6g n ALA 1137Ca 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 1u6g n ALA 1137Cb 0.52 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 1u6g n ALA 1137CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u6g h VAL 1138N 0.95 0.00 -0.84 0.00 2.07 -1.13 -3.28 116.25 114.02 1u6g h VAL 1138Ca 0.00 -0.50 0.21 0.00 0.82 0.00 0.00 66.70 67.23 1u6g h VAL 1138Cb 0.39 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.03 1u6g h VAL 1138CO 0.00 0.00 0.23 0.25 0.02 0.00 0.00 177.57 178.07 1u6g h LEU 1139N -0.50 0.03 -2.02 2.57 6.46 -1.48 1.88 115.31 122.25 1u6g h LEU 1139Ca 0.00 0.18 0.15 0.00 -0.12 0.00 0.00 57.88 58.09 1u6g h LEU 1139Cb 0.11 0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1u6g h LEU 1139CO 0.00 -0.10 0.41 1.56 -0.62 0.00 0.00 178.44 179.68 1u6g h GLN 1140N 0.25 0.00 0.00 1.25 4.20 -1.69 0.11 115.11 119.23 1u6g h GLN 1140Ca 0.51 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.19 1u6g h GLN 1140Cb 0.98 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.69 1u6g h GLN 1140CO -0.60 0.00 -0.49 0.54 -0.67 0.00 0.00 178.83 177.61 1u6g n ARG 1141N -4.16 1.10 0.27 1.46 1.74 0.44 -4.72 116.66 112.78 1u6g n ARG 1141Ca 0.09 -2.72 0.16 0.00 -0.77 0.00 0.00 57.85 54.62 1u6g n ARG 1141Cb 0.62 -1.20 0.62 0.00 -1.02 0.00 0.00 32.46 31.48 1u6g n ARG 1141CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1u6g h LEU 1142N 0.70 0.00 0.08 0.55 6.46 0.50 -2.28 115.31 121.32 1u6g h LEU 1142Ca -0.04 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.43 1u6g h LEU 1142Cb 1.20 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.11 1u6g h LEU 1142CO 0.02 0.03 -1.49 0.44 -0.62 0.00 0.00 178.44 176.82 1u6g h ASP 1143N 0.00 0.28 0.78 1.25 3.32 -1.84 -3.21 116.42 117.00 1u6g h ASP 1143Ca -0.00 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.57 1u6g h ASP 1143Cb 0.57 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1u6g h ASP 1143CO 0.00 1.33 -0.44 0.03 -1.72 0.00 0.00 179.24 178.44 1u6g h ARG 1144N 0.05 0.00 0.00 3.56 3.08 -1.86 -2.91 114.38 116.30 1u6g h ARG 1144Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1u6g h ARG 1144Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.03 1u6g h ARG 1144CO 0.14 0.44 -0.24 1.28 -1.07 0.00 0.00 179.97 180.52 1u6g n LEU 1145N -3.61 0.27 -0.05 3.04 4.77 -0.88 -4.00 117.00 116.54 1u6g n LEU 1145Ca -0.00 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.11 1u6g n LEU 1145Cb 0.53 -0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 41.11 1u6g n LEU 1145CO 0.38 0.05 -0.89 0.52 -1.33 0.00 0.00 177.39 176.12 1u6g n VAL 1146N -1.55 1.60 -0.19 4.08 0.31 -1.11 -3.57 118.33 117.91 1u6g n VAL 1146Ca 0.06 -0.73 -0.04 0.00 -0.01 0.00 0.00 64.34 63.63 1u6g n VAL 1146Cb 0.34 -1.21 0.03 0.00 -0.91 0.00 0.00 33.84 32.10 1u6g n VAL 1146CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1u6g h GLU 1147N 0.02 -0.11 0.74 5.55 4.81 -1.67 0.26 114.58 124.17 1u6g h GLU 1147Ca -0.43 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1u6g h GLU 1147Cb 2.05 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.45 1u6g h GLU 1147CO 0.04 -0.08 -0.43 -1.35 -0.73 0.00 0.00 179.01 176.46 1u6g h PRO 1148N -0.12 -1.05 -1.44 0.92 0.11 -1.77 0.45 132.00 129.09 1u6g h PRO 1148Ca 0.25 0.07 0.42 0.00 0.11 0.00 0.00 66.00 66.85 1u6g h PRO 1148Cb 0.52 0.24 -0.06 0.00 0.11 0.00 0.00 31.00 31.81 1u6g h PRO 1148CO -0.65 -0.70 1.04 -0.07 -0.21 0.00 0.00 178.00 177.41 1u6g h LEU 1149N -1.09 0.01 0.19 2.35 3.38 -1.39 0.32 115.31 119.08 1u6g h LEU 1149Ca -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1u6g h LEU 1149Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1u6g h LEU 1149CO 0.12 -0.00 -0.09 -0.09 0.09 0.00 0.00 178.44 178.46 1u6g h ARG 1150N 0.01 -0.25 -0.77 1.13 9.65 0.03 -3.17 114.38 121.00 1u6g h ARG 1150Ca 0.69 0.02 0.17 0.00 -1.10 0.00 0.00 59.98 59.75 1u6g h ARG 1150Cb 2.75 0.06 -0.15 0.00 -1.39 0.00 0.00 29.97 31.24 1u6g h ARG 1150CO -0.02 0.02 -0.15 0.00 2.80 0.00 0.00 179.97 182.63 1u6g n ALA 1151N -2.69 0.23 0.17 2.80 0.00 0.10 -0.97 120.51 120.15 1u6g n ALA 1151Ca -0.05 0.85 -0.07 0.00 0.00 0.00 0.00 53.44 54.16 1u6g n ALA 1151Cb 0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 1u6g n ALA 1151CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u6g h THR 1152N 0.00 0.00 0.00 0.00 2.02 -1.39 0.24 112.91 113.77 1u6g h THR 1152Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.57 1u6g h THR 1152Cb 0.65 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1u6g h THR 1152CO -0.78 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.11 1u6g n THR 1154N -0.80 1.12 -1.22 0.00 -1.04 -0.68 -4.91 114.28 106.74 1u6g n THR 1154Ca 0.00 -0.05 -0.45 0.00 -2.04 0.00 0.00 64.05 61.51 1u6g n THR 1154Cb 0.00 -1.86 -0.05 0.00 -1.82 0.00 0.00 70.33 66.60 1u6g n THR 1154CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1u6g n THR 1155N -3.90 0.77 -4.31 12.58 -2.24 0.02 -4.98 114.28 112.22 1u6g n THR 1155Ca -0.24 -0.19 -0.27 0.00 -2.27 0.00 0.00 64.05 61.08 1u6g n THR 1155Cb 0.57 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 1u6g n THR 1155CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1u6g s LYS 1156N -0.39 2.17 -0.01 -0.78 -2.85 -1.26 -5.02 119.74 111.61 1u6g s LYS 1156Ca 0.66 -2.03 0.04 0.00 -1.00 0.00 0.00 55.97 53.65 1u6g s LYS 1156Cb -0.94 -1.84 -0.01 0.00 -2.06 0.00 0.00 37.83 32.98 1u6g s LYS 1156CO 0.48 -0.22 -0.13 0.08 0.10 0.00 0.00 175.35 175.66 1u6g s VAL 1157N -2.70 1.05 0.17 1.79 1.01 -1.26 -5.12 120.40 115.34 1u6g s VAL 1157Ca 0.32 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 1u6g s VAL 1157Cb 0.04 -0.88 -0.08 0.00 0.00 0.00 0.00 36.38 35.45 1u6g s VAL 1157CO 0.18 0.27 1.26 -1.59 0.00 0.00 0.00 175.10 175.22 1u6g s LYS 1158N -0.38 4.43 0.00 2.72 -2.85 -1.26 -4.85 119.74 117.55 1u6g s LYS 1158Ca 0.05 1.95 0.02 0.00 -1.00 0.00 0.00 55.97 56.99 1u6g s LYS 1158Cb -0.05 -3.24 0.11 0.00 -2.06 0.00 0.00 37.83 32.59 1u6g s LYS 1158CO -0.00 -0.21 0.49 0.00 0.10 0.00 0.00 175.35 175.73 1u6g n ALA 1159N 2.86 1.59 1.83 0.59 0.00 -1.26 -0.52 120.51 125.61 1u6g n ALA 1159Ca 0.06 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.57 1u6g n ALA 1159Cb 0.44 -1.03 0.45 0.00 0.00 0.00 0.00 19.45 19.31 1u6g n ALA 1159CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1u6g n ASN 1160N -0.86 0.00 -4.93 0.00 5.15 -1.26 -4.81 115.26 108.54 1u6g n ASN 1160Ca 0.01 -1.36 -0.25 0.00 -0.60 0.00 0.00 54.58 52.38 1u6g n ASN 1160Cb 0.01 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.25 1u6g n ASN 1160CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1u6g s SER 1161N -1.55 6.26 0.21 1.20 0.01 0.32 -5.08 113.70 115.06 1u6g s SER 1161Ca 0.23 0.58 -0.20 0.00 1.31 0.00 0.00 55.95 57.87 1u6g s SER 1161Cb 0.10 -2.07 -0.08 0.00 0.21 0.00 0.00 66.02 64.18 1u6g s SER 1161CO 0.17 -0.40 0.71 0.68 0.41 0.00 0.00 173.24 174.81 1u6g s VAL 1162N -2.46 4.58 0.07 3.43 -7.23 -1.26 -4.95 120.40 112.58 1u6g s VAL 1162Ca 0.43 1.28 -0.13 0.00 -1.81 0.00 0.00 61.98 61.74 1u6g s VAL 1162Cb -0.10 -3.87 -0.03 0.00 0.56 0.00 0.00 36.38 32.94 1u6g s VAL 1162CO 0.39 0.25 0.77 1.17 -0.31 0.00 0.00 175.10 177.36 1u6g n LYS 1163N 0.83 -0.19 -0.21 4.82 4.81 -1.26 0.14 118.16 127.11 1u6g n LYS 1163Ca -0.03 0.75 0.22 0.00 -0.87 0.00 0.00 58.31 58.38 1u6g n LYS 1163Cb 0.51 -1.11 0.58 0.00 0.02 0.00 0.00 35.03 35.03 1u6g n LYS 1163CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1u6g h GLN 1164N 0.00 0.26 -0.63 1.64 -0.00 -2.01 -1.32 115.11 113.05 1u6g h GLN 1164Ca 0.07 -0.02 0.13 0.00 -0.00 0.00 0.00 58.65 58.83 1u6g h GLN 1164Cb 0.17 -0.06 -0.10 0.00 0.00 0.00 0.00 27.48 27.50 1u6g h GLN 1164CO -0.40 0.17 0.08 1.49 0.00 0.00 0.00 178.83 180.17 1u6g h GLU 1165N 0.26 0.19 0.75 1.69 4.57 0.91 -2.59 114.58 120.37 1u6g h GLU 1165Ca 0.44 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.57 1u6g h GLU 1165Cb 1.30 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.86 1u6g h GLU 1165CO -0.12 0.13 -0.36 0.74 -1.18 0.00 0.00 179.01 178.22 1u6g h PHE 1166N 0.20 -0.94 -0.88 0.92 0.05 -1.28 -3.15 116.94 111.86 1u6g h PHE 1166Ca 0.34 -0.02 0.31 0.00 3.82 0.00 0.00 57.97 62.41 1u6g h PHE 1166Cb 0.54 0.31 -0.16 0.00 2.00 0.00 0.00 35.95 38.64 1u6g h PHE 1166CO -0.30 -0.58 0.25 0.39 -0.18 0.00 0.00 178.31 177.89 1u6g n GLU 1167N -5.45 -0.06 -0.08 1.51 1.02 -1.11 0.12 120.64 116.60 1u6g n GLU 1167Ca -0.13 1.27 -0.09 0.00 -0.02 0.00 0.00 57.16 58.19 1u6g n GLU 1167Cb 0.40 -2.14 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 1u6g n GLU 1167CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1u6g h LYS 1168N 0.00 -0.31 -0.60 3.49 3.64 -1.42 0.27 116.57 121.63 1u6g h LYS 1168Ca 0.64 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.97 1u6g h LYS 1168Cb 1.55 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.42 1u6g h LYS 1168CO -0.75 -0.21 0.07 1.96 -2.27 0.00 0.00 179.45 178.25 1u6g h GLN 1169N -0.32 1.01 -0.81 1.90 1.08 0.86 0.29 115.11 119.12 1u6g h GLN 1169Ca 0.14 -0.29 0.14 0.00 -1.45 0.00 0.00 58.65 57.19 1u6g h GLN 1169Cb 0.56 -0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 27.78 1u6g h GLN 1169CO -0.48 0.97 0.39 -0.44 -0.95 0.00 0.00 178.83 178.31 1u6g h ASP 1170N 0.92 0.44 0.83 1.46 5.19 0.04 1.17 116.42 126.47 1u6g h ASP 1170Ca 0.18 0.10 -0.21 0.00 -0.62 0.00 0.00 57.03 56.47 1u6g h ASP 1170Cb 0.47 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 1u6g h ASP 1170CO 0.02 0.18 -0.98 -0.33 -3.12 0.00 0.00 179.24 175.01 1u6g h GLU 1171N 0.56 0.08 0.01 3.56 5.08 -0.02 -2.77 114.58 121.08 1u6g h GLU 1171Ca 0.44 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 58.48 1u6g h GLU 1171Cb 0.63 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1u6g h GLU 1171CO -0.37 0.99 -0.99 1.25 -1.00 0.00 0.00 179.01 178.88 1u6g h LEU 1172N 0.03 0.04 0.27 1.33 7.12 0.78 -2.59 115.31 122.28 1u6g h LEU 1172Ca -0.04 -0.04 -0.01 0.00 0.13 0.00 0.00 57.88 57.92 1u6g h LEU 1172Cb 1.69 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.81 1u6g h LEU 1172CO 0.14 1.01 -0.13 0.11 -0.13 0.00 0.00 178.44 179.44 1u6g h LYS 1173N 0.01 -0.34 0.00 1.25 1.57 0.13 -2.77 116.57 116.41 1u6g h LYS 1173Ca -0.02 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1u6g h LYS 1173Cb 1.74 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1u6g h LYS 1173CO 0.13 -0.01 0.00 2.89 -0.57 0.00 0.00 179.45 181.90 1u6g n ARG 1174N -5.09 0.22 0.05 3.15 1.85 -1.05 -1.30 116.66 114.50 1u6g n ARG 1174Ca -0.09 0.14 0.11 0.00 -1.00 0.00 0.00 57.85 57.01 1u6g n ARG 1174Cb 0.26 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.18 1u6g n ARG 1174CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1u6g n SER 1175N -1.29 0.64 0.03 2.89 2.88 -0.98 -3.37 113.62 114.42 1u6g n SER 1175Ca 0.07 0.05 -0.17 0.00 -1.33 0.00 0.00 58.87 57.50 1u6g n SER 1175Cb 0.13 0.72 -0.14 0.00 -0.75 0.00 0.00 64.21 64.17 1u6g n SER 1175CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u6g h ALA 1176N 2.28 0.43 0.23 -1.46 0.00 -0.92 -3.34 119.26 116.49 1u6g h ALA 1176Ca 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 54.91 53.61 1u6g h ALA 1176Cb 0.86 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1u6g h ALA 1176CO 0.00 1.29 -0.12 0.52 0.00 0.00 0.00 179.25 180.94 1u6g h MET 1177N 0.06 -0.31 -0.87 0.00 2.07 -1.60 0.20 114.93 114.48 1u6g h MET 1177Ca -0.32 0.02 0.33 0.00 -2.07 0.00 0.00 59.70 57.66 1u6g h MET 1177Cb 2.03 0.07 -0.12 0.00 -1.87 0.00 0.00 31.60 31.71 1u6g h MET 1177CO 0.12 -0.21 0.51 -2.13 1.07 0.00 0.00 176.91 176.28 1u6g n ARG 1178N -5.23 -0.04 -0.00 1.72 0.63 -1.22 0.34 116.66 112.86 1u6g n ARG 1178Ca -0.09 0.98 -0.00 0.00 -0.92 0.00 0.00 57.85 57.82 1u6g n ARG 1178Cb 0.15 -1.84 -0.00 0.00 0.45 0.00 0.00 32.46 31.22 1u6g n ARG 1178CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1u6g h ALA 1179N 1.35 0.00 -0.87 5.13 0.00 -1.29 -2.95 119.26 120.63 1u6g h ALA 1179Ca 0.64 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.90 1u6g h ALA 1179Cb 1.87 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 19.50 1u6g h ALA 1179CO -0.47 0.00 0.44 0.28 0.00 0.00 0.00 179.25 179.50 1u6g n VAL 1180N -2.28 -0.36 0.00 0.00 0.31 0.16 -0.08 118.33 116.07 1u6g n VAL 1180Ca -0.00 1.77 0.00 0.00 -0.01 0.00 0.00 64.34 66.10 1u6g n VAL 1180Cb 0.00 -2.86 0.00 0.00 -0.91 0.00 0.00 33.84 30.07 1u6g n VAL 1180CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u6g n ALA 1181N -2.41 -0.01 0.00 3.52 0.00 1.02 -1.26 120.51 121.38 1u6g n ALA 1181Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1u6g n ALA 1181Cb 1.09 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.63 1u6g n ALA 1181CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u6g n ALA 1182N -0.72 0.52 1.16 0.00 0.00 0.88 0.28 120.51 122.64 1u6g n ALA 1182Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1u6g n ALA 1182Cb 0.00 -0.44 0.41 0.00 0.00 0.00 0.00 19.45 19.42 1u6g n ALA 1182CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u6g n LEU 1183N -1.03 0.61 -0.00 0.00 4.77 0.49 -3.20 117.00 118.63 1u6g n LEU 1183Ca 0.00 -0.03 0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1u6g n LEU 1183Cb 0.17 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 40.95 1u6g n LEU 1183CO 0.00 0.12 -0.12 0.18 -1.33 0.00 0.00 177.39 176.25 1u6g n LEU 1184N -1.12 0.61 -1.12 2.23 4.77 0.81 -4.28 117.00 118.91 1u6g n LEU 1184Ca 0.10 -0.44 0.05 0.00 -0.03 0.00 0.00 56.01 55.69 1u6g n LEU 1184Cb 0.33 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.63 1u6g n LEU 1184CO 0.29 0.15 0.63 0.41 -1.33 0.00 0.00 177.39 177.54 1u6g n THR 1185N -1.43 1.23 -3.99 -5.08 -1.04 -1.14 -4.63 114.28 98.19 1u6g n THR 1185Ca 0.02 -0.72 -0.35 0.00 -2.04 0.00 0.00 64.05 60.96 1u6g n THR 1185Cb 0.25 -0.15 -0.11 0.00 -1.82 0.00 0.00 70.33 68.51 1u6g n THR 1185CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1u6g s ILE 1186N -1.81 4.49 0.00 12.58 2.07 -1.26 -4.95 121.20 132.32 1u6g s ILE 1186Ca 0.30 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 1u6g s ILE 1186Cb 0.21 -3.04 0.00 0.00 0.13 0.00 0.00 42.46 39.76 1u6g s ILE 1186CO 0.13 0.42 0.00 -2.65 -1.91 0.00 0.00 174.94 170.93 1u6g n PRO 1187N 4.01 0.00 -0.67 3.50 -0.02 -1.26 -4.34 135.00 136.22 1u6g n PRO 1187Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1u6g n PRO 1187Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1u6g n PRO 1187CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1u6g n GLU 1188N 0.00 0.00 0.00 -0.52 1.02 -1.26 -3.23 120.64 116.65 1u6g n GLU 1188Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1u6g n GLU 1188Cb 0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1u6g n GLU 1188CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u6g n ALA 1189N 2.71 1.35 0.69 0.62 0.00 -1.26 -4.58 120.51 120.03 1u6g n ALA 1189Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.29 1u6g n ALA 1189Cb 0.11 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.66 1u6g n ALA 1189CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1u6g n GLU 1190N -0.02 0.21 0.25 0.00 0.00 -1.20 -3.71 120.64 116.18 1u6g n GLU 1190Ca 0.00 0.02 0.15 0.00 0.00 0.00 0.00 57.16 57.33 1u6g n GLU 1190Cb 0.11 -1.59 0.53 0.00 0.00 0.00 0.00 31.44 30.49 1u6g n GLU 1190CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1u6g h LYS 1191N 0.00 0.00 -0.57 3.44 1.79 -1.89 -3.28 116.57 116.06 1u6g h LYS 1191Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1u6g h LYS 1191Cb 0.67 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 1u6g h LYS 1191CO 0.00 0.04 0.23 0.66 -1.08 0.00 0.00 179.45 179.31 1u6g h SER 1192N 0.00 0.78 0.00 0.86 4.64 -1.91 -3.39 113.55 114.54 1u6g h SER 1192Ca -0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1u6g h SER 1192Cb 0.67 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1u6g h SER 1192CO 0.01 0.73 0.00 -2.65 -0.87 0.00 0.00 176.83 174.05 1u6g n PRO 1193N -4.50 0.00 0.00 4.77 -0.02 -1.24 -4.98 135.00 129.03 1u6g n PRO 1193Ca 0.03 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1u6g n PRO 1193Cb 0.16 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1u6g n PRO 1193CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1u6g n LEU 1194N -2.37 0.00 0.00 2.45 -0.00 -1.26 -5.12 117.00 110.69 1u6g n LEU 1194Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1u6g n LEU 1194Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1u6g n LEU 1194CO 0.00 0.00 0.00 0.80 -0.00 0.00 0.00 177.39 178.19 1u6g n MET 1195N -0.53 0.00 -2.00 1.47 1.56 -1.26 -5.00 117.12 111.36 1u6g n MET 1195Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.01 1u6g n MET 1195Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1u6g n MET 1195CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1u6g n SER 1196N -0.30 4.31 -4.57 6.12 7.64 -1.26 -4.90 113.62 120.67 1u6g n SER 1196Ca 0.00 -2.92 -0.13 0.00 1.01 0.00 0.00 58.87 56.83 1u6g n SER 1196Cb 0.00 -1.62 -0.09 0.00 -1.01 0.00 0.00 64.21 61.49 1u6g n SER 1196CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u6g n GLU 1197N 5.75 0.40 -1.30 1.43 1.02 -1.26 -4.84 120.64 121.85 1u6g n GLU 1197Ca 0.48 -1.13 -0.51 0.00 -0.02 0.00 0.00 57.16 55.98 1u6g n GLU 1197Cb 0.39 -3.78 -0.07 0.00 -0.02 0.00 0.00 31.44 27.96 1u6g n GLU 1197CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1u6g n PHE 1198N 19.17 0.80 -3.96 -0.32 1.16 -1.26 -4.90 117.46 128.15 1u6g n PHE 1198Ca 0.45 0.90 -0.09 0.00 -1.87 0.00 0.00 57.45 56.83 1u6g n PHE 1198Cb 0.44 -1.76 -0.11 0.00 -1.61 0.00 0.00 39.48 36.44 1u6g n PHE 1198CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 1u6g s GLN 1199N 0.72 0.34 0.07 3.97 2.00 -1.26 -4.99 119.66 120.51 1u6g s GLN 1199Ca 0.79 -0.57 -0.20 0.00 -2.00 0.00 0.00 55.36 53.38 1u6g s GLN 1199Cb -1.11 0.13 -0.10 0.00 0.80 0.00 0.00 33.01 32.73 1u6g s GLN 1199CO 0.53 -0.06 1.51 0.66 -0.50 0.00 0.00 175.29 177.43 1u6g h SER 1200N 4.58 0.34 0.35 6.67 4.64 -1.99 0.24 113.55 128.38 1u6g h SER 1200Ca -0.32 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 60.68 1u6g h SER 1200Cb 1.21 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1u6g h SER 1200CO 0.41 0.56 -0.17 1.56 -0.87 0.00 0.00 176.83 178.32 1u6g h GLN 1201N 0.11 -0.45 -0.66 4.77 4.20 -1.98 -3.26 115.11 117.83 1u6g h GLN 1201Ca 0.06 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.89 1u6g h GLN 1201Cb 0.38 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 1u6g h GLN 1201CO 0.01 -0.18 0.44 0.82 -0.67 0.00 0.00 178.83 179.25 1u6g h ILE 1202N -1.04 0.92 -0.49 2.54 1.08 -1.91 -3.04 117.51 115.56 1u6g h ILE 1202Ca -0.05 -0.18 0.05 0.00 -0.39 0.00 0.00 64.86 64.29 1u6g h ILE 1202Cb 0.47 0.35 -0.07 0.00 -3.07 0.00 0.00 36.82 34.50 1u6g h ILE 1202CO 0.08 0.10 -0.42 0.77 -0.69 0.00 0.00 178.15 177.98 1u6g h SER 1203N 0.53 -1.47 0.00 1.72 4.64 -0.56 0.12 113.55 118.53 1u6g h SER 1203Ca 0.30 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1u6g h SER 1203Cb 0.49 0.63 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1u6g h SER 1203CO -0.10 -0.24 0.53 -1.54 -0.87 0.00 0.00 176.83 174.61 1u6g n SER 1204N -4.66 0.14 0.00 4.97 3.41 -1.15 -2.83 113.62 113.51 1u6g n SER 1204Ca -0.01 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1u6g n SER 1204Cb 0.22 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1u6g n SER 1204CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1u6g n ASN 1205N -1.82 0.00 0.00 4.04 3.02 0.41 -2.05 115.26 118.86 1u6g n ASN 1205Ca -0.00 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1u6g n ASN 1205Cb 0.54 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1u6g n ASN 1205CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1u6g n PRO 1206N -1.39 0.00 -0.01 3.52 -0.04 -1.14 -0.74 135.00 135.20 1u6g n PRO 1206Ca 0.00 0.26 -0.05 0.00 -0.04 0.00 0.00 63.50 63.68 1u6g n PRO 1206Cb 0.00 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 1u6g n PRO 1206CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1u6g h GLU 1207N 0.00 -0.10 -0.00 0.54 4.57 -1.59 -2.97 114.58 115.02 1u6g h GLU 1207Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1u6g h GLU 1207Cb 0.14 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1u6g h GLU 1207CO 0.00 0.13 -0.01 1.28 -1.18 0.00 0.00 179.01 179.23 1u6g n LEU 1208N -4.82 0.04 0.04 1.64 7.99 0.08 -2.55 117.00 119.41 1u6g n LEU 1208Ca -0.03 0.16 0.11 0.00 -0.01 0.00 0.00 56.01 56.24 1u6g n LEU 1208Cb 0.13 -0.18 -0.05 0.00 -0.11 0.00 0.00 43.42 43.21 1u6g n LEU 1208CO 0.10 0.01 -0.25 0.00 -1.51 0.00 0.00 177.39 175.74 1u6g n ALA 1209N -1.15 2.89 1.44 -1.18 0.00 0.02 -5.08 120.51 117.45 1u6g n ALA 1209Ca 0.18 -0.38 0.14 0.00 0.00 0.00 0.00 53.44 53.38 1u6g n ALA 1209Cb 0.20 -0.95 0.48 0.00 0.00 0.00 0.00 19.45 19.18 1u6g n ALA 1209CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50