#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7i h MET 5 N 0.00 0.54 -0.37 5.31 2.86 -2.06 -3.01 114.93 118.21 3h7i h MET 5 Ca 0.00 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3h7i h MET 5 Cb 0.00 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 3h7i h MET 5 CO 0.00 0.53 0.09 0.52 1.06 0.00 0.00 176.91 179.11 3h7i h MET 6 N 0.43 0.22 0.00 1.72 2.86 -2.09 -0.25 114.93 117.83 3h7i h MET 6 Ca 0.12 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3h7i h MET 6 Cb 0.19 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3h7i h MET 6 CO -0.01 0.15 0.00 -0.11 1.06 0.00 0.00 176.91 178.00 3h7i n LEU 7 N -5.06 0.00 -2.86 1.22 0.00 -1.15 -3.89 117.00 105.26 3h7i n LEU 7 Ca 0.02 0.39 -0.12 0.00 0.00 0.00 0.00 56.01 56.30 3h7i n LEU 7 Cb 0.15 -0.39 0.02 0.00 0.00 0.00 0.00 43.42 43.20 3h7i n LEU 7 CO 0.25 -0.27 0.08 -0.67 0.00 0.00 0.00 177.39 176.79 3h7i n ASP 8 N -1.39 -2.24 -4.55 1.96 -0.08 -0.13 -5.02 116.55 105.10 3h7i n ASP 8 Ca 0.03 -3.14 -0.41 0.00 -1.51 0.00 0.00 54.79 49.77 3h7i n ASP 8 Cb 0.09 1.26 -0.09 0.00 2.34 0.00 0.00 41.12 44.73 3h7i n ASP 8 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 3h7i s GLU 9 N 0.29 3.61 0.38 -0.67 2.12 -1.06 -4.87 118.70 118.50 3h7i s GLU 9 Ca 0.33 -0.34 -0.27 0.00 0.36 0.00 0.00 54.97 55.04 3h7i s GLU 9 Cb 0.20 -3.79 -0.09 0.00 0.26 0.00 0.00 34.13 30.71 3h7i s GLU 9 CO -0.21 -0.53 1.31 -0.51 -0.54 0.00 0.00 175.26 174.79 3h7i s ASP 10 N 1.73 6.47 0.26 -1.70 -0.00 -1.26 -4.93 116.67 117.24 3h7i s ASP 10 Ca 0.13 2.68 -0.02 0.00 -0.00 0.00 0.00 52.55 55.34 3h7i s ASP 10 Cb -0.16 -2.64 0.45 0.00 -0.00 0.00 0.00 42.92 40.57 3h7i s ASP 10 CO 0.12 -0.74 1.83 0.22 -0.00 0.00 0.00 175.17 176.60 3h7i h TYR 11 N 2.92 1.03 -3.37 4.23 3.20 -1.98 -3.20 116.97 119.80 3h7i h TYR 11 Ca -0.49 0.03 -0.62 0.00 3.14 0.00 0.00 58.73 60.79 3h7i h TYR 11 Cb 1.24 -0.32 -0.13 0.00 1.54 0.00 0.00 36.73 39.06 3h7i h TYR 11 CO 0.54 0.44 0.46 0.15 -1.64 0.00 0.00 178.16 178.11 3h7i s LYS 12 N -6.01 3.35 0.61 1.82 -0.14 -1.26 -5.02 119.74 113.10 3h7i s LYS 12 Ca -0.12 -0.23 -0.14 0.00 -1.36 0.00 0.00 55.97 54.11 3h7i s LYS 12 Cb 0.20 -4.01 -0.03 0.00 -1.68 0.00 0.00 37.83 32.31 3h7i s LYS 12 CO 0.80 -1.33 1.05 -1.83 -0.76 0.00 0.00 175.35 173.27 3h7i s GLU 13 N 3.63 3.29 0.27 1.68 -1.05 -1.21 -4.61 118.70 120.70 3h7i s GLU 13 Ca 0.30 1.11 -0.29 0.00 -0.15 0.00 0.00 54.97 55.93 3h7i s GLU 13 Cb -0.13 -2.03 -0.10 0.00 -0.44 0.00 0.00 34.13 31.43 3h7i s GLU 13 CO 0.20 -0.83 1.29 0.20 0.95 0.00 0.00 175.26 177.08 3h7i s GLY 14 N -3.09 2.76 -0.10 -3.83 0.00 -1.26 -4.43 107.32 97.38 3h7i s GLY 14 Ca 0.62 1.17 0.03 0.00 0.00 0.00 0.00 44.72 46.53 3h7i s GLY 14 CO 0.41 1.95 -0.20 -0.42 0.00 0.00 0.00 173.10 174.84 3h7i s ILE 15 N -0.62 2.49 -0.21 0.90 1.01 -0.48 -2.40 121.20 121.90 3h7i s ILE 15 Ca 0.52 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 3h7i s ILE 15 Cb -0.38 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 3h7i s ILE 15 CO 0.46 0.55 0.02 0.00 0.00 0.00 0.00 174.94 175.97 3h7i s LEU 17 N 1.11 3.56 -0.20 0.00 1.43 0.36 -0.52 118.68 124.41 3h7i s LEU 17 Ca 0.03 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.92 3h7i s LEU 17 Cb -0.14 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 3h7i s LEU 17 CO 0.02 0.00 0.06 -0.63 0.23 0.00 0.00 176.35 176.03 3h7i s ILE 18 N 1.40 4.57 -1.36 -0.59 1.01 -0.02 -0.89 121.20 125.31 3h7i s ILE 18 Ca 0.05 -0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 3h7i s ILE 18 Cb -0.15 -3.08 0.06 0.00 0.01 0.00 0.00 42.46 39.31 3h7i s ILE 18 CO 0.04 0.42 1.94 -0.67 0.00 0.00 0.00 174.94 176.67 3h7i n ASP 19 N 4.01 4.51 0.09 3.58 2.03 0.20 -0.40 116.55 130.56 3h7i n ASP 19 Ca -0.16 -2.90 -0.23 0.00 0.52 0.00 0.00 54.79 52.02 3h7i n ASP 19 Cb 0.52 -1.70 -0.15 0.00 -0.72 0.00 0.00 41.12 39.07 3h7i n ASP 19 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3h7i h PHE 20 N 6.83 0.76 -1.00 -0.67 3.57 -1.56 -3.16 116.94 121.70 3h7i h PHE 20 Ca 0.49 -0.55 0.07 0.00 3.53 0.00 0.00 57.97 61.51 3h7i h PHE 20 Cb 0.76 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.41 3h7i h PHE 20 CO 1.42 1.64 0.65 0.77 -2.23 0.00 0.00 178.31 180.56 3h7i h SER 21 N 0.11 1.03 -0.37 0.41 0.02 -1.86 -0.36 113.55 112.53 3h7i h SER 21 Ca -0.32 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.53 3h7i h SER 21 Cb 2.11 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 64.43 3h7i h SER 21 CO 0.20 0.65 -0.15 1.56 -1.14 0.00 0.00 176.83 177.95 3h7i h GLN 22 N 1.16 0.83 -0.21 3.45 1.08 -1.90 0.08 115.11 119.60 3h7i h GLN 22 Ca 0.44 -0.30 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 3h7i h GLN 22 Cb 0.20 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3h7i h GLN 22 CO -0.18 0.93 0.06 0.82 -0.95 0.00 0.00 178.83 179.51 3h7i h ILE 23 N 0.74 1.20 -0.49 2.54 2.04 -1.35 0.13 117.51 122.32 3h7i h ILE 23 Ca 0.12 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 3h7i h ILE 23 Cb 0.65 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3h7i h ILE 23 CO 0.05 0.20 0.18 0.00 0.00 0.00 0.00 178.15 178.58 3h7i h ALA 24 N 0.88 0.63 -0.43 1.87 0.00 -0.89 -1.88 119.26 119.44 3h7i h ALA 24 Ca 0.07 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3h7i h ALA 24 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3h7i h ALA 24 CO -0.00 0.26 -0.04 1.25 0.00 0.00 0.00 179.25 180.72 3h7i h LEU 25 N 0.65 0.77 -0.87 0.00 5.85 -0.86 0.09 115.31 120.94 3h7i h LEU 25 Ca 0.16 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.59 3h7i h LEU 25 Cb 0.23 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3h7i h LEU 25 CO -0.01 0.92 0.56 0.28 -0.34 0.00 0.00 178.44 179.85 3h7i h SER 26 N 0.61 0.93 -0.46 1.25 0.02 -0.80 -0.33 113.55 114.77 3h7i h SER 26 Ca 0.12 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 3h7i h SER 26 Cb 0.54 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3h7i h SER 26 CO 0.03 0.63 -0.14 0.74 -1.14 0.00 0.00 176.83 176.95 3h7i h THR 27 N 1.08 1.27 -0.75 -2.27 2.02 -1.06 -2.98 112.91 110.23 3h7i h THR 27 Ca 0.35 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 3h7i h THR 27 Cb 0.03 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3h7i h THR 27 CO -0.12 0.44 0.35 0.00 0.37 0.00 0.00 175.52 176.56 3h7i h ALA 28 N 0.87 1.21 0.00 6.16 0.00 -0.43 0.26 119.26 127.32 3h7i h ALA 28 Ca 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3h7i h ALA 28 Cb 0.69 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3h7i h ALA 28 CO 0.05 0.60 -0.12 -0.07 0.00 0.00 0.00 179.25 179.71 3h7i h LEU 29 N 1.06 0.00 0.16 0.00 3.38 -0.94 -0.91 115.31 118.06 3h7i h LEU 29 Ca 0.26 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.93 3h7i h LEU 29 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3h7i h LEU 29 CO -0.03 0.12 -1.48 0.58 0.09 0.00 0.00 178.44 177.72 3h7i h VAL 30 N 0.00 1.08 0.00 1.22 2.07 -1.27 -3.41 116.25 115.94 3h7i h VAL 30 Ca -0.00 -2.49 -0.14 0.00 0.82 0.00 0.00 66.70 64.89 3h7i h VAL 30 Cb 0.43 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 3h7i h VAL 30 CO 0.02 0.78 -1.13 0.78 0.02 0.00 0.00 177.57 178.03 3h7i h ASN 31 N -0.10 0.00 -3.55 0.57 4.21 -0.64 -3.44 115.58 112.64 3h7i h ASN 31 Ca -0.30 0.00 -0.66 0.00 1.21 0.00 0.00 56.30 56.56 3h7i h ASN 31 Cb 1.92 0.00 -0.25 0.00 -1.12 0.00 0.00 38.32 38.87 3h7i h ASN 31 CO 0.14 0.52 -0.66 -0.36 -1.29 0.00 0.00 177.43 175.78 3h7i s PHE 32 N -2.96 3.05 0.83 1.19 0.08 -0.38 -5.07 117.98 114.72 3h7i s PHE 32 Ca -0.01 -0.70 -0.11 0.00 0.12 0.00 0.00 56.93 56.22 3h7i s PHE 32 Cb 0.08 -2.19 0.09 0.00 -0.57 0.00 0.00 43.02 40.44 3h7i s PHE 32 CO 0.79 -0.46 1.09 -1.25 -0.10 0.00 0.00 175.22 175.29 3h7i s PRO 33 N 1.55 1.77 0.89 0.24 0.04 -1.26 -4.77 135.00 133.45 3h7i s PRO 33 Ca 0.06 0.79 -0.10 0.00 0.04 0.00 0.00 61.00 61.78 3h7i s PRO 33 Cb -0.15 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.65 3h7i s PRO 33 CO 0.01 -1.88 1.14 -0.51 0.04 0.00 0.00 177.00 175.80 3h7i s ASP 34 N -3.63 3.19 -1.48 6.66 -0.00 -1.26 -3.90 116.67 116.26 3h7i s ASP 34 Ca 0.62 2.14 -0.07 0.00 -0.00 0.00 0.00 52.55 55.24 3h7i s ASP 34 Cb -0.16 -2.56 0.02 0.00 -0.00 0.00 0.00 42.92 40.21 3h7i s ASP 34 CO 0.56 -2.92 0.83 0.29 -0.00 0.00 0.00 175.17 173.93 3h7i n LYS 35 N -4.08 -5.95 -3.99 8.23 5.02 -0.47 -4.98 118.16 111.95 3h7i n LYS 35 Ca 0.12 0.83 -0.13 0.00 -2.02 0.00 0.00 58.31 57.11 3h7i n LYS 35 Cb 0.52 -5.76 -0.14 0.00 -0.02 0.00 0.00 35.03 29.63 3h7i n LYS 35 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3h7i s GLU 36 N -6.01 0.20 0.04 1.97 2.12 -1.25 -5.09 118.70 110.69 3h7i s GLU 36 Ca 0.44 -0.17 -0.31 0.00 0.36 0.00 0.00 54.97 55.29 3h7i s GLU 36 Cb -0.20 -0.14 -0.07 0.00 0.26 0.00 0.00 34.13 33.98 3h7i s GLU 36 CO 0.54 0.04 1.47 0.21 -0.54 0.00 0.00 175.26 176.97 3h7i s LYS 37 N -0.28 4.27 -0.35 4.30 2.20 -1.26 -4.35 119.74 124.27 3h7i s LYS 37 Ca -0.01 2.09 -0.16 0.00 -0.36 0.00 0.00 55.97 57.53 3h7i s LYS 37 Cb -0.02 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 3h7i s LYS 37 CO -0.00 -0.59 0.40 0.42 -0.36 0.00 0.00 175.35 175.22 3h7i s ILE 38 N 2.16 5.13 0.48 5.43 1.01 -1.26 -5.06 121.20 129.10 3h7i s ILE 38 Ca 0.67 0.06 0.08 0.00 0.00 0.00 0.00 60.65 61.46 3h7i s ILE 38 Cb -0.35 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.27 3h7i s ILE 38 CO 0.29 -0.15 0.51 0.54 0.00 0.00 0.00 174.94 176.13 3h7i s ASN 39 N 1.74 5.06 0.14 3.58 2.20 -1.26 -4.22 114.94 122.19 3h7i s ASN 39 Ca 0.13 -0.83 -0.18 0.00 -0.94 0.00 0.00 52.86 51.04 3h7i s ASN 39 Cb -0.16 -0.16 -0.03 0.00 -2.00 0.00 0.00 41.25 38.90 3h7i s ASN 39 CO 0.12 -0.94 1.78 0.25 -2.94 0.00 0.00 177.10 175.38 3h7i h LEU 40 N 0.70 0.28 -0.61 3.54 5.85 -1.92 -2.16 115.31 121.00 3h7i h LEU 40 Ca -0.37 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 3h7i h LEU 40 Cb 1.28 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3h7i h LEU 40 CO 0.51 0.21 0.14 -1.28 -0.34 0.00 0.00 178.44 177.68 3h7i h SER 41 N 0.35 0.93 -0.47 1.25 0.87 -1.97 0.10 113.55 114.61 3h7i h SER 41 Ca 0.11 -0.24 0.08 0.00 -1.23 0.00 0.00 61.79 60.51 3h7i h SER 41 Cb -0.02 -0.25 -0.07 0.00 -0.44 0.00 0.00 62.40 61.63 3h7i h SER 41 CO -0.04 0.93 0.06 0.24 -0.53 0.00 0.00 176.83 177.49 3h7i h MET 42 N 0.89 0.18 -0.18 2.24 2.86 -1.90 -1.04 114.93 117.98 3h7i h MET 42 Ca 0.19 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.63 3h7i h MET 42 Cb 0.37 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3h7i h MET 42 CO 0.00 0.12 -0.66 0.28 1.06 0.00 0.00 176.91 177.71 3h7i h VAL 43 N 0.18 1.31 -0.35 -2.22 2.07 -0.96 -1.84 116.25 114.43 3h7i h VAL 43 Ca 0.24 -1.90 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 3h7i h VAL 43 Cb 0.33 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3h7i h VAL 43 CO -0.34 0.60 0.20 -0.09 0.02 0.00 0.00 177.57 177.96 3h7i h ARG 44 N 0.50 0.48 -0.42 1.57 2.43 -0.56 0.45 114.38 118.82 3h7i h ARG 44 Ca -0.02 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3h7i h ARG 44 Cb 1.25 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3h7i h ARG 44 CO 0.13 0.38 0.25 0.45 -1.51 0.00 0.00 179.97 179.67 3h7i h HIS 45 N 0.45 0.56 -0.46 2.20 3.86 -1.13 -0.81 115.15 119.81 3h7i h HIS 45 Ca 0.12 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3h7i h HIS 45 Cb 0.03 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 3h7i h HIS 45 CO -0.03 0.40 0.27 1.25 0.86 0.00 0.00 177.93 180.68 3h7i h LEU 46 N 0.55 0.57 -0.23 2.43 6.46 -0.98 -0.31 115.31 123.80 3h7i h LEU 46 Ca 0.15 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 3h7i h LEU 46 Cb 0.01 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 3h7i h LEU 46 CO -0.03 0.48 0.03 0.40 -0.62 0.00 0.00 178.44 178.70 3h7i h ILE 47 N 0.61 1.23 -0.74 4.05 2.04 -0.71 -0.87 117.51 123.12 3h7i h ILE 47 Ca 0.16 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 3h7i h ILE 47 Cb 0.02 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3h7i h ILE 47 CO -0.03 0.25 0.25 -0.07 0.00 0.00 0.00 178.15 178.55 3h7i h LEU 48 N 0.18 1.05 -0.93 1.44 3.38 -1.06 0.22 115.31 119.59 3h7i h LEU 48 Ca 0.07 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3h7i h LEU 48 Cb 0.34 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3h7i h LEU 48 CO 0.01 0.97 0.12 0.78 0.09 0.00 0.00 178.44 180.40 3h7i h ASN 49 N 1.08 0.85 -0.45 -0.43 2.35 -0.91 -1.02 115.58 117.05 3h7i h ASN 49 Ca 0.24 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 3h7i h ASN 49 Cb 0.27 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3h7i h ASN 49 CO -0.01 0.84 -0.14 -1.28 -1.65 0.00 0.00 177.43 175.19 3h7i h SER 50 N 0.86 0.90 -0.35 5.81 0.87 -0.71 -2.07 113.55 118.86 3h7i h SER 50 Ca 0.18 -0.38 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 3h7i h SER 50 Cb 0.34 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3h7i h SER 50 CO 0.00 1.07 0.21 0.40 -0.53 0.00 0.00 176.83 177.98 3h7i h ILE 51 N 0.72 1.12 -0.66 2.23 2.04 -0.74 -1.30 117.51 120.93 3h7i h ILE 51 Ca 0.11 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.70 3h7i h ILE 51 Cb 0.70 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3h7i h ILE 51 CO 0.05 0.12 0.40 0.50 0.00 0.00 0.00 178.15 179.23 3h7i h LYS 52 N 0.46 0.77 -0.30 2.37 3.64 -0.99 0.47 116.57 122.98 3h7i h LYS 52 Ca 0.13 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3h7i h LYS 52 Cb 0.02 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3h7i h LYS 52 CO -0.02 0.51 0.03 0.35 -2.27 0.00 0.00 179.45 178.05 3h7i h PHE 53 N 0.79 0.54 0.00 1.91 3.04 -1.15 -2.61 116.94 119.46 3h7i h PHE 53 Ca 0.26 -0.08 -0.13 0.00 3.98 0.00 0.00 57.97 62.00 3h7i h PHE 53 Cb 0.03 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.37 3h7i h PHE 53 CO -0.05 0.61 -0.63 -0.91 -2.02 0.00 0.00 178.31 175.31 3h7i h ASN 54 N 0.31 0.00 -0.20 0.41 2.35 -0.82 -2.72 115.58 114.91 3h7i h ASN 54 Ca 0.09 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3h7i h ASN 54 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3h7i h ASN 54 CO 0.01 0.63 -0.43 0.58 -1.65 0.00 0.00 177.43 176.57 3h7i h VAL 55 N 0.00 1.32 -0.69 2.81 2.07 -0.95 -2.06 116.25 118.74 3h7i h VAL 55 Ca -0.01 -1.66 0.09 0.00 0.82 0.00 0.00 66.70 65.94 3h7i h VAL 55 Cb 1.44 1.87 -0.07 0.00 -1.52 0.00 0.00 31.29 33.01 3h7i h VAL 55 CO 0.08 0.52 0.34 0.50 0.02 0.00 0.00 177.57 179.03 3h7i h LYS 56 N 0.33 0.56 0.08 1.57 3.64 -1.43 -0.27 116.57 121.05 3h7i h LYS 56 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3h7i h LYS 56 Cb 1.04 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 3h7i h LYS 56 CO 0.10 0.37 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.34 3h7i h LYS 57 N 0.57 -0.19 -0.54 1.90 1.63 -1.30 -1.42 116.57 117.23 3h7i h LYS 57 Ca 0.34 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.23 3h7i h LYS 57 Cb 0.37 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.98 3h7i h LYS 57 CO -0.27 -0.12 0.21 0.00 -3.45 0.00 0.00 179.45 175.81 3h7i h ALA 58 N 0.71 0.67 -0.66 5.00 0.00 -0.85 -2.43 119.26 121.71 3h7i h ALA 58 Ca 0.01 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3h7i h ALA 58 Cb 0.19 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3h7i h ALA 58 CO -0.03 -0.19 0.08 0.87 0.00 0.00 0.00 179.25 179.98 3h7i h LYS 59 N 0.40 1.11 -0.03 0.00 1.57 -0.80 -0.99 116.57 117.83 3h7i h LYS 59 Ca 0.26 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 3h7i h LYS 59 Cb 0.27 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3h7i h LYS 59 CO -0.25 1.03 -0.45 1.79 -0.57 0.00 0.00 179.45 181.00 3h7i h THR 60 N 1.03 1.33 0.00 -0.16 1.35 -1.10 -1.99 112.91 113.37 3h7i h THR 60 Ca 0.20 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 3h7i h THR 60 Cb 0.48 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3h7i h THR 60 CO 0.02 0.46 0.00 0.18 -0.25 0.00 0.00 175.52 175.93 3h7i n LEU 61 N -3.99 0.00 0.00 3.87 4.77 -0.92 -4.91 117.00 115.81 3h7i n LEU 61 Ca -0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3h7i n LEU 61 Cb 0.49 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3h7i n LEU 61 CO 0.41 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3h7i n GLY 62 N 1.04 0.76 3.14 -0.72 0.00 -0.75 -5.07 105.19 103.60 3h7i n GLY 62 Ca 0.12 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 3h7i n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h7i s TYR 63 N -2.00 3.46 -0.22 1.61 2.02 -0.43 -4.49 117.35 117.31 3h7i s TYR 63 Ca 0.00 -2.20 0.22 0.00 -0.37 0.00 0.00 57.07 54.72 3h7i s TYR 63 Cb 0.00 -2.72 -0.26 0.00 -0.40 0.00 0.00 41.96 38.58 3h7i s TYR 63 CO 0.00 -0.89 0.63 0.25 -1.57 0.00 0.00 175.55 173.97 3h7i n THR 64 N 4.59 0.08 -3.08 -0.71 -2.24 -1.01 -3.86 114.28 108.05 3h7i n THR 64 Ca -0.07 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 3h7i n THR 64 Cb 0.42 0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 3h7i n THR 64 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3h7i s LYS 65 N -3.41 3.70 -0.23 -0.78 2.47 -1.03 -4.98 119.74 115.48 3h7i s LYS 65 Ca -0.04 0.11 -0.09 0.00 -1.56 0.00 0.00 55.97 54.39 3h7i s LYS 65 Cb 0.14 -3.81 -0.04 0.00 -1.46 0.00 0.00 37.83 32.66 3h7i s LYS 65 CO 0.88 -0.76 0.11 0.42 0.16 0.00 0.00 175.35 176.16 3h7i s ILE 66 N 2.79 4.89 -0.18 5.43 -1.09 -1.26 -0.31 121.20 131.46 3h7i s ILE 66 Ca 0.26 0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.70 3h7i s ILE 66 Cb -0.14 -3.26 0.02 0.00 -1.58 0.00 0.00 42.46 37.50 3h7i s ILE 66 CO 0.15 0.37 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.34 3h7i s VAL 67 N 1.04 2.05 -0.29 2.92 1.01 0.32 -2.40 120.40 125.06 3h7i s VAL 67 Ca 0.05 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 3h7i s VAL 67 Cb -0.14 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3h7i s VAL 67 CO 0.04 0.54 0.52 -0.76 0.00 0.00 0.00 175.10 175.44 3h7i s LEU 68 N 1.29 4.13 -0.24 3.92 1.43 0.55 -0.84 118.68 128.92 3h7i s LEU 68 Ca 0.05 0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 53.41 3h7i s LEU 68 Cb -0.13 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 3h7i s LEU 68 CO -0.13 -0.35 0.15 0.00 0.23 0.00 0.00 176.35 176.25 3h7i s ILE 70 N 1.04 2.97 -0.25 0.00 -1.09 -0.65 -1.54 121.20 121.68 3h7i s ILE 70 Ca 0.07 -0.74 -0.26 0.00 -2.23 0.00 0.00 60.65 57.50 3h7i s ILE 70 Cb -0.14 -2.18 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 3h7i s ILE 70 CO 0.04 0.57 0.89 -1.81 -1.23 0.00 0.00 174.94 173.40 3h7i s ASP 71 N -0.34 6.89 -0.32 3.58 1.01 -1.26 -2.95 116.67 123.28 3h7i s ASP 71 Ca 0.03 1.09 0.02 0.00 0.71 0.00 0.00 52.55 54.39 3h7i s ASP 71 Cb -0.13 -2.46 0.10 0.00 1.01 0.00 0.00 42.92 41.44 3h7i s ASP 71 CO 0.02 -0.58 0.06 0.21 0.21 0.00 0.00 175.17 175.10 3h7i s ASN 72 N 1.34 4.37 -0.27 0.27 3.84 -0.89 -4.95 114.94 118.65 3h7i s ASN 72 Ca 0.37 -1.85 0.11 0.00 0.21 0.00 0.00 52.86 51.70 3h7i s ASN 72 Cb -0.15 -1.25 0.54 0.00 -0.55 0.00 0.00 41.25 39.84 3h7i s ASN 72 CO 0.08 -0.39 1.51 0.00 -2.79 0.00 0.00 177.10 175.51 3h7i n ALA 73 N 4.55 3.99 -0.24 1.71 0.00 -1.26 -0.57 120.51 128.69 3h7i n ALA 73 Ca 0.00 -2.79 0.05 0.00 0.00 0.00 0.00 53.44 50.69 3h7i n ALA 73 Cb 0.42 -0.82 0.17 0.00 0.00 0.00 0.00 19.45 19.22 3h7i n ALA 73 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3h7i h LYS 74 N 1.36 0.26 -0.31 0.00 3.64 -1.96 -1.80 116.57 117.77 3h7i h LYS 74 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3h7i h LYS 74 Cb 1.73 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 3h7i h LYS 74 CO 0.42 0.17 0.00 0.43 -2.27 0.00 0.00 179.45 178.20 3h7i n SER 75 N -5.15 4.12 0.00 4.20 7.64 -1.26 -5.07 113.62 118.10 3h7i n SER 75 Ca 0.13 -2.98 0.00 0.00 1.01 0.00 0.00 58.87 57.03 3h7i n SER 75 Cb 0.43 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 3h7i n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h7i n GLY 76 N -0.33 0.77 3.27 0.23 0.00 -0.68 -4.87 105.19 103.58 3h7i n GLY 76 Ca 0.22 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 3h7i n GLY 76 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h7i s TYR 77 N 0.00 -0.43 0.47 1.61 2.02 -1.26 -3.98 117.35 115.78 3h7i s TYR 77 Ca 0.00 1.04 0.20 0.00 -0.37 0.00 0.00 57.07 57.94 3h7i s TYR 77 Cb 0.00 0.15 1.27 0.00 -0.40 0.00 0.00 41.96 42.98 3h7i s TYR 77 CO 0.00 -0.22 2.07 0.11 -1.57 0.00 0.00 175.55 175.95 3h7i h TRP 78 N 5.74 0.00 0.00 2.71 5.08 -1.61 -0.62 115.95 127.25 3h7i h TRP 78 Ca -0.28 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.62 3h7i h TRP 78 Cb 1.18 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.33 3h7i h TRP 78 CO 0.38 0.12 -0.33 0.00 -1.28 0.00 0.00 178.44 177.33 3h7i h ARG 79 N 0.00 0.00 0.00 0.12 3.08 -1.94 -2.74 114.38 112.90 3h7i h ARG 79 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3h7i h ARG 79 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3h7i h ARG 79 CO 0.02 0.33 -0.67 -0.09 -1.07 0.00 0.00 179.97 178.49 3h7i h ARG 80 N 0.00 0.00 0.00 0.04 2.43 -1.26 0.11 114.38 115.70 3h7i h ARG 80 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3h7i h ARG 80 Cb 0.77 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3h7i h ARG 80 CO 0.04 0.28 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.20 3h7i h ASP 81 N 0.00 0.00 0.21 -3.80 3.32 -1.16 -2.76 116.42 112.23 3h7i h ASP 81 Ca -0.04 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.66 3h7i h ASP 81 Cb 1.29 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.85 3h7i h ASP 81 CO 0.04 0.14 -1.76 0.15 -1.72 0.00 0.00 179.24 176.09 3h7i h PHE 82 N 0.00 0.67 -2.84 4.55 3.57 -1.30 -3.44 116.94 118.15 3h7i h PHE 82 Ca -0.00 -0.49 -0.56 0.00 3.53 0.00 0.00 57.97 60.45 3h7i h PHE 82 Cb 0.29 -0.03 -0.40 0.00 2.79 0.00 0.00 35.95 38.61 3h7i h PHE 82 CO 0.00 1.66 -0.79 0.00 -2.23 0.00 0.00 178.31 176.95 3h7i s ALA 83 N -2.58 1.02 0.56 2.41 0.00 0.34 -5.02 121.76 118.49 3h7i s ALA 83 Ca -0.16 -1.53 0.34 0.00 0.00 0.00 0.00 51.96 50.61 3h7i s ALA 83 Cb 0.06 -1.53 1.92 0.00 0.00 0.00 0.00 23.12 23.56 3h7i s ALA 83 CO 0.85 -1.80 2.25 0.10 0.00 0.00 0.00 175.76 177.16 3h7i h TYR 84 N 7.87 0.00 -0.00 0.00 -0.00 -1.76 -1.48 116.97 121.59 3h7i h TYR 84 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.62 3h7i h TYR 84 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.72 3h7i h TYR 84 CO 0.36 0.02 -0.22 2.48 -0.00 0.00 0.00 178.16 180.80 3h7i n TYR 85 N -3.57 0.00 -1.68 0.10 4.11 -1.26 -4.82 117.16 110.04 3h7i n TYR 85 Ca -0.03 0.00 -0.46 0.00 -0.00 0.00 0.00 57.90 57.41 3h7i n TYR 85 Cb 0.11 -0.36 -0.04 0.00 -0.00 0.00 0.00 39.34 39.05 3h7i n TYR 85 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 3h7i n TYR 86 N -1.44 2.36 -1.28 -3.48 9.36 -0.56 -1.97 117.16 120.16 3h7i n TYR 86 Ca 0.07 0.12 -0.10 0.00 3.32 0.00 0.00 57.90 61.31 3h7i n TYR 86 Cb 0.33 -2.61 -0.04 0.00 -0.63 0.00 0.00 39.34 36.39 3h7i n TYR 86 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3h7i n LYS 87 N 4.68 -1.73 0.25 2.98 5.02 0.05 -4.84 118.16 124.57 3h7i n LYS 87 Ca 0.19 0.84 0.13 0.00 -2.02 0.00 0.00 58.31 57.45 3h7i n LYS 87 Cb 0.31 -5.25 0.55 0.00 -0.02 0.00 0.00 35.03 30.61 3h7i n LYS 87 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3h7i h LYS 88 N 0.00 0.00 -0.24 1.97 1.79 -1.66 -2.01 116.57 116.42 3h7i h LYS 88 Ca -0.20 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.22 3h7i h LYS 88 Cb 1.15 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 3h7i h LYS 88 CO 0.30 0.11 -0.07 -2.95 -1.08 0.00 0.00 179.45 175.75 3h7i h ASN 89 N 0.00 0.35 -0.25 0.86 -0.00 -1.88 -2.34 115.58 112.32 3h7i h ASN 89 Ca -0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 56.30 56.19 3h7i h ASN 89 Cb 0.64 -0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 38.86 3h7i h ASN 89 CO 0.01 0.47 0.01 0.03 -0.00 0.00 0.00 177.43 177.95 3h7i h ARG 90 N 0.36 0.43 -0.85 4.14 3.08 -1.66 -2.18 114.38 117.69 3h7i h ARG 90 Ca 0.07 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3h7i h ARG 90 Cb 0.36 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 3h7i h ARG 90 CO 0.02 0.60 0.49 0.78 -1.07 0.00 0.00 179.97 180.79 3h7i h GLY 91 N 0.21 1.25 0.95 0.04 0.00 -1.54 -2.18 103.07 101.81 3h7i h GLY 91 Ca 0.07 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.86 3h7i h GLY 91 CO 0.01 0.52 0.04 1.70 0.00 0.00 0.00 176.54 178.82 3h7i h LYS 92 N 1.18 0.09 -0.59 4.80 1.63 -1.26 -1.70 116.57 120.72 3h7i h LYS 92 Ca 0.30 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.13 3h7i h LYS 92 Cb -0.01 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 3h7i h LYS 92 CO -0.05 0.06 0.34 0.00 -3.45 0.00 0.00 179.45 176.35 3h7i h ALA 93 N 1.05 0.76 -0.17 5.00 0.00 -1.21 -2.26 119.26 122.43 3h7i h ALA 93 Ca 0.04 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3h7i h ALA 93 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3h7i h ALA 93 CO -0.03 0.05 -0.10 0.00 0.00 0.00 0.00 179.25 179.17 3h7i h ARG 94 N 0.66 0.27 -0.80 0.00 3.08 -1.11 -2.76 114.38 113.73 3h7i h ARG 94 Ca 0.24 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3h7i h ARG 94 Cb 0.07 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 3h7i h ARG 94 CO -0.12 0.38 0.47 0.93 -1.07 0.00 0.00 179.97 180.56 3h7i h GLU 95 N 0.26 1.09 0.00 0.04 5.08 -0.70 -2.84 114.58 117.51 3h7i h GLU 95 Ca 0.05 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3h7i h GLU 95 Cb 0.35 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3h7i h GLU 95 CO 0.02 0.78 -0.32 0.39 -1.00 0.00 0.00 179.01 178.88 3h7i n GLU 96 N -4.37 0.03 -2.45 2.33 1.02 -1.05 -4.90 120.64 111.25 3h7i n GLU 96 Ca 0.09 0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.89 3h7i n GLU 96 Cb 0.07 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 29.95 3h7i n GLU 96 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3h7i s SER 97 N -3.13 6.25 0.00 1.62 0.15 -1.07 -4.96 113.70 112.55 3h7i s SER 97 Ca 0.12 2.04 0.20 0.00 0.70 0.00 0.00 55.95 59.00 3h7i s SER 97 Cb 0.18 -2.57 0.58 0.00 -1.71 0.00 0.00 66.02 62.49 3h7i s SER 97 CO 0.64 -0.85 1.45 1.07 1.20 0.00 0.00 173.24 176.75 3h7i n THR 98 N -0.86 0.38 -3.00 6.45 5.66 -1.26 -4.91 114.28 116.74 3h7i n THR 98 Ca 0.09 -0.51 -0.34 0.00 -3.05 0.00 0.00 64.05 60.24 3h7i n THR 98 Cb 0.51 0.50 -0.06 0.00 -1.55 0.00 0.00 70.33 69.73 3h7i n THR 98 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 3h7i s TRP 99 N -1.62 3.48 -1.48 1.09 -0.00 -1.26 -1.37 118.94 117.78 3h7i s TRP 99 Ca 0.33 1.44 -0.13 0.00 -0.00 0.00 0.00 56.10 57.74 3h7i s TRP 99 Cb 0.18 -2.69 0.02 0.00 -0.00 0.00 0.00 33.47 30.98 3h7i s TRP 99 CO 0.26 0.13 2.36 -3.47 -0.00 0.00 0.00 176.95 176.23 3h7i n ASP 100 N -0.01 4.94 -0.26 5.86 2.03 -1.26 -4.72 116.55 123.13 3h7i n ASP 100 Ca 0.03 -2.80 0.02 0.00 0.52 0.00 0.00 54.79 52.56 3h7i n ASP 100 Cb 0.52 -1.63 0.15 0.00 -0.72 0.00 0.00 41.12 39.44 3h7i n ASP 100 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 3h7i h TRP 101 N 5.78 0.70 -0.40 -0.67 4.06 -1.92 -0.19 115.95 123.31 3h7i h TRP 101 Ca 0.63 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.61 3h7i h TRP 101 Cb 0.56 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.50 3h7i h TRP 101 CO 1.54 0.26 0.26 1.49 -3.56 0.00 0.00 178.44 178.43 3h7i h GLU 102 N 0.65 0.53 -0.53 0.49 4.81 -1.96 -0.04 114.58 118.53 3h7i h GLU 102 Ca 0.37 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.46 3h7i h GLU 102 Cb 0.38 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3h7i h GLU 102 CO -0.27 0.36 -0.05 0.78 -0.73 0.00 0.00 179.01 179.10 3h7i h GLY 103 N 0.54 1.06 0.83 1.92 0.00 -1.72 -1.19 103.07 104.50 3h7i h GLY 103 Ca 0.15 -0.82 0.01 0.00 0.00 0.00 0.00 47.33 46.66 3h7i h GLY 103 CO -0.03 0.75 -0.12 -1.82 0.00 0.00 0.00 176.54 175.32 3h7i h TYR 104 N 0.85 -0.31 -0.32 5.60 3.20 -0.62 -1.31 116.97 124.06 3h7i h TYR 104 Ca 0.14 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3h7i h TYR 104 Cb 0.61 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3h7i h TYR 104 CO 0.04 -0.18 0.07 0.74 -1.64 0.00 0.00 178.16 177.19 3h7i h PHE 105 N -0.25 0.55 -0.51 -3.82 0.04 -0.94 0.95 116.94 112.95 3h7i h PHE 105 Ca 0.01 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.75 3h7i h PHE 105 Cb 0.25 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 3h7i h PHE 105 CO -0.13 0.58 0.27 1.49 -0.60 0.00 0.00 178.31 179.93 3h7i h GLU 106 N 0.36 0.52 -0.49 1.51 4.81 -1.17 -0.98 114.58 119.13 3h7i h GLU 106 Ca 0.10 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 3h7i h GLU 106 Cb 0.32 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3h7i h GLU 106 CO 0.00 0.34 -0.14 0.77 -0.73 0.00 0.00 179.01 179.26 3h7i h SER 107 N 0.53 0.98 -0.58 1.04 0.02 -1.12 -2.94 113.55 111.49 3h7i h SER 107 Ca 0.22 -0.37 -0.09 0.00 -0.84 0.00 0.00 61.79 60.71 3h7i h SER 107 Cb 0.11 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3h7i h SER 107 CO -0.14 1.12 0.01 0.77 -1.14 0.00 0.00 176.83 177.45 3h7i h SER 108 N 0.82 1.01 -0.95 3.07 4.64 -0.42 -0.98 113.55 120.75 3h7i h SER 108 Ca 0.12 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3h7i h SER 108 Cb 0.71 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.48 3h7i h SER 108 CO 0.05 1.06 0.61 0.45 -0.87 0.00 0.00 176.83 178.13 3h7i h HIS 109 N 0.95 1.22 -0.38 4.77 3.86 -1.11 0.08 115.15 124.55 3h7i h HIS 109 Ca 0.17 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3h7i h HIS 109 Cb 0.54 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 3h7i h HIS 109 CO 0.04 0.79 0.15 0.87 0.86 0.00 0.00 177.93 180.64 3h7i h LYS 110 N 1.30 0.57 -0.61 2.45 1.57 -1.28 -2.08 116.57 118.48 3h7i h LYS 110 Ca 0.35 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 3h7i h LYS 110 Cb -0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3h7i h LYS 110 CO -0.07 0.54 -0.00 0.28 -0.57 0.00 0.00 179.45 179.63 3h7i h VAL 111 N 0.47 1.27 -0.92 0.50 2.07 -0.63 -2.02 116.25 116.98 3h7i h VAL 111 Ca 0.13 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.54 3h7i h VAL 111 Cb 0.18 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3h7i h VAL 111 CO -0.01 0.42 0.60 0.40 0.02 0.00 0.00 177.57 179.00 3h7i h ILE 112 N 0.99 1.09 -0.30 4.57 1.08 -0.85 0.50 117.51 124.59 3h7i h ILE 112 Ca 0.17 -0.37 -0.08 0.00 -0.39 0.00 0.00 64.86 64.19 3h7i h ILE 112 Cb 0.57 -0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 3h7i h ILE 112 CO 0.03 0.20 -0.16 0.44 -0.69 0.00 0.00 178.15 177.97 3h7i h ASP 113 N 1.08 0.51 -0.65 1.72 3.32 -0.91 -1.46 116.42 120.03 3h7i h ASP 113 Ca 0.39 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 3h7i h ASP 113 Cb 0.16 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3h7i h ASP 113 CO -0.14 0.69 0.09 -0.33 -1.72 0.00 0.00 179.24 177.82 3h7i h GLU 114 N 0.48 1.09 -0.80 3.56 5.08 -0.49 -1.76 114.58 121.74 3h7i h GLU 114 Ca 0.08 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3h7i h GLU 114 Cb 0.55 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3h7i h GLU 114 CO 0.04 1.01 0.48 -0.07 -1.00 0.00 0.00 179.01 179.47 3h7i h LEU 115 N 1.02 0.97 -1.18 1.33 3.38 -0.35 -1.01 115.31 119.47 3h7i h LEU 115 Ca 0.20 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3h7i h LEU 115 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3h7i h LEU 115 CO 0.02 0.75 -0.02 0.11 0.09 0.00 0.00 178.44 179.38 3h7i h LYS 116 N 1.10 0.54 0.02 1.13 1.57 -1.01 -1.40 116.57 118.52 3h7i h LYS 116 Ca 0.29 -0.12 -0.21 0.00 -1.87 0.00 0.00 60.65 58.73 3h7i h LYS 116 Cb -0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3h7i h LYS 116 CO -0.05 0.58 -0.97 0.00 -0.57 0.00 0.00 179.45 178.44 3h7i h ALA 117 N 1.47 0.41 0.00 3.86 0.00 -0.78 -3.43 119.26 120.80 3h7i h ALA 117 Ca 0.11 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3h7i h ALA 117 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h7i h ALA 117 CO 0.01 1.06 -0.64 0.66 0.00 0.00 0.00 179.25 180.34 3h7i n TYR 118 N -3.52 0.00 -4.06 0.00 4.01 -0.43 -4.73 117.16 108.43 3h7i n TYR 118 Ca -0.03 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.45 3h7i n TYR 118 Cb 0.88 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.86 3h7i n TYR 118 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3h7i s MET 119 N -1.31 2.99 -0.34 -0.72 -1.94 -0.54 -3.36 119.30 114.07 3h7i s MET 119 Ca 0.00 -0.82 -0.01 0.00 -1.71 0.00 0.00 55.69 53.15 3h7i s MET 119 Cb 0.00 -2.70 0.20 0.00 2.01 0.00 0.00 34.83 34.34 3h7i s MET 119 CO 0.00 0.49 2.10 -0.35 -0.01 0.00 0.00 175.02 177.25 3h7i n PRO 120 N -0.36 1.88 -4.35 2.03 -0.04 -1.26 -4.37 135.00 128.53 3h7i n PRO 120 Ca -0.08 -1.68 -0.26 0.00 -0.04 0.00 0.00 63.50 61.44 3h7i n PRO 120 Cb 0.54 -1.68 -0.12 0.00 -0.04 0.00 0.00 33.50 32.20 3h7i n PRO 120 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3h7i s TYR 121 N -1.85 2.04 -0.30 0.54 2.02 -1.26 -4.85 117.35 113.68 3h7i s TYR 121 Ca 0.35 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.35 3h7i s TYR 121 Cb 0.26 -1.07 0.02 0.00 -0.40 0.00 0.00 41.96 40.76 3h7i s TYR 121 CO -0.02 0.32 1.06 0.42 -1.57 0.00 0.00 175.55 175.76 3h7i s ILE 122 N -1.38 4.55 -0.47 2.71 -1.09 -1.01 -4.91 121.20 119.61 3h7i s ILE 122 Ca 0.13 1.78 -0.12 0.00 -2.23 0.00 0.00 60.65 60.21 3h7i s ILE 122 Cb -0.09 -4.39 0.10 0.00 -1.58 0.00 0.00 42.46 36.50 3h7i s ILE 122 CO 0.06 -0.41 0.36 -0.69 -1.23 0.00 0.00 174.94 173.03 3h7i s VAL 123 N 3.54 4.71 -0.80 2.92 1.01 -1.26 -0.33 120.40 130.18 3h7i s VAL 123 Ca 0.45 -1.40 -0.23 0.00 0.00 0.00 0.00 61.98 60.80 3h7i s VAL 123 Cb -0.13 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.39 3h7i s VAL 123 CO 0.13 -0.65 1.17 -0.04 0.00 0.00 0.00 175.10 175.71 3h7i s MET 124 N 1.51 3.31 -0.18 2.72 -1.94 0.25 -4.93 119.30 120.05 3h7i s MET 124 Ca 0.04 -0.90 -0.04 0.00 -1.71 0.00 0.00 55.69 53.08 3h7i s MET 124 Cb -0.25 -4.56 0.06 0.00 2.01 0.00 0.00 34.83 32.08 3h7i s MET 124 CO 0.03 -1.98 0.06 0.34 -0.01 0.00 0.00 175.02 173.47 3h7i s ASP 125 N 3.94 2.55 -0.04 3.03 2.15 -1.26 -1.63 116.67 125.42 3h7i s ASP 125 Ca 0.32 -0.68 -0.00 0.00 0.43 0.00 0.00 52.55 52.62 3h7i s ASP 125 Cb -0.09 -0.40 0.03 0.00 -0.30 0.00 0.00 42.92 42.16 3h7i s ASP 125 CO 0.04 -0.33 0.01 -0.63 -0.17 0.00 0.00 175.17 174.10 3h7i s ILE 126 N 2.02 0.15 0.23 4.11 1.01 -1.26 -5.10 121.20 122.35 3h7i s ILE 126 Ca 0.01 0.16 -0.32 0.00 0.00 0.00 0.00 60.65 60.50 3h7i s ILE 126 Cb -0.16 -0.29 -0.13 0.00 0.01 0.00 0.00 42.46 41.89 3h7i s ILE 126 CO -0.08 0.17 1.59 -0.67 0.00 0.00 0.00 174.94 175.95 3h7i n ASP 127 N 4.53 3.53 0.00 3.58 2.03 -1.26 -1.18 116.55 127.78 3h7i n ASP 127 Ca -0.19 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.23 3h7i n ASP 127 Cb 0.50 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 3h7i n ASP 127 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3h7i n LYS 128 N 2.93 0.00 -4.51 -0.67 5.02 0.26 -4.96 118.16 116.23 3h7i n LYS 128 Ca 0.13 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.09 3h7i n LYS 128 Cb 0.33 -2.24 -0.11 0.00 -0.02 0.00 0.00 35.03 33.00 3h7i n LYS 128 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3h7i s TYR 129 N -3.18 2.94 0.08 2.13 1.51 -0.32 -1.41 117.35 119.09 3h7i s TYR 129 Ca 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.07 3h7i s TYR 129 Cb 0.00 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 3h7i s TYR 129 CO 0.00 0.37 0.23 -1.21 -1.11 0.00 0.00 175.55 173.83 3h7i s GLU 130 N -1.15 3.45 0.35 -0.62 2.02 -1.26 -2.10 118.70 119.39 3h7i s GLU 130 Ca 0.15 -0.44 0.08 0.00 0.02 0.00 0.00 54.97 54.78 3h7i s GLU 130 Cb -0.11 -3.02 0.79 0.00 0.10 0.00 0.00 34.13 31.89 3h7i s GLU 130 CO 0.05 0.59 1.89 0.00 0.02 0.00 0.00 175.26 177.81 3h7i h ALA 131 N 2.94 1.79 0.00 5.21 0.00 -1.85 -0.37 119.26 126.99 3h7i h ALA 131 Ca -0.45 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3h7i h ALA 131 Cb 1.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3h7i h ALA 131 CO 0.75 -0.00 -0.20 -0.91 0.00 0.00 0.00 179.25 178.88 3h7i h ASN 132 N 0.72 0.00 -0.05 0.00 4.21 -1.94 -0.74 115.58 117.78 3h7i h ASN 132 Ca 0.42 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.91 3h7i h ASN 132 Cb 0.61 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.81 3h7i h ASN 132 CO -0.18 0.20 -0.03 0.44 -1.29 0.00 0.00 177.43 176.57 3h7i h ASP 133 N 0.00 0.12 -0.48 5.81 3.32 -1.47 -0.94 116.42 122.79 3h7i h ASP 133 Ca -0.00 -0.43 0.01 0.00 0.02 0.00 0.00 57.03 56.62 3h7i h ASP 133 Cb 0.57 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3h7i h ASP 133 CO 0.03 0.52 0.31 0.45 -1.72 0.00 0.00 179.24 178.83 3h7i h HIS 134 N -0.29 0.60 -0.22 4.55 3.86 -1.09 -1.63 115.15 120.93 3h7i h HIS 134 Ca 0.01 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3h7i h HIS 134 Cb 0.48 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3h7i h HIS 134 CO 0.07 0.37 0.10 0.82 0.86 0.00 0.00 177.93 180.16 3h7i h ILE 135 N 0.64 1.14 -0.47 2.45 2.04 -1.14 -0.05 117.51 122.13 3h7i h ILE 135 Ca 0.18 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3h7i h ILE 135 Cb -0.07 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3h7i h ILE 135 CO -0.04 0.14 0.21 0.00 0.00 0.00 0.00 178.15 178.46 3h7i h ALA 136 N 0.96 0.60 -0.23 1.87 0.00 -0.98 0.70 119.26 122.18 3h7i h ALA 136 Ca 0.07 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3h7i h ALA 136 Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h7i h ALA 136 CO -0.01 0.18 -0.58 0.28 0.00 0.00 0.00 179.25 179.12 3h7i h VAL 137 N 0.61 1.29 -0.03 0.00 2.07 -1.25 -2.71 116.25 116.23 3h7i h VAL 137 Ca 0.16 -1.78 -0.19 0.00 0.82 0.00 0.00 66.70 65.71 3h7i h VAL 137 Cb 0.15 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3h7i h VAL 137 CO -0.02 0.57 -0.80 -0.07 0.02 0.00 0.00 177.57 177.28 3h7i h LEU 138 N 0.56 0.37 -0.47 2.57 3.38 -0.83 -1.79 115.31 119.09 3h7i h LEU 138 Ca -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3h7i h LEU 138 Cb 1.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3h7i h LEU 138 CO 0.13 1.02 0.31 0.58 0.09 0.00 0.00 178.44 180.56 3h7i h VAL 139 N 0.19 1.12 -0.21 1.22 2.07 -0.87 0.26 116.25 120.03 3h7i h VAL 139 Ca -0.04 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3h7i h VAL 139 Cb 1.39 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3h7i h VAL 139 CO 0.13 0.12 0.01 0.50 0.02 0.00 0.00 177.57 178.35 3h7i h LYS 140 N 0.63 0.08 0.26 1.57 3.64 -1.33 0.39 116.57 121.81 3h7i h LYS 140 Ca 0.17 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3h7i h LYS 140 Cb -0.06 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3h7i h LYS 140 CO -0.04 0.05 -0.12 -0.22 -2.27 0.00 0.00 179.45 176.85 3h7i h LYS 141 N 0.08 -0.34 -0.10 1.90 3.64 -0.96 -2.63 116.57 118.16 3h7i h LYS 141 Ca 0.10 0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.32 3h7i h LYS 141 Cb 0.11 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3h7i h LYS 141 CO -0.16 -0.19 -0.68 0.74 -2.27 0.00 0.00 179.45 176.89 3h7i h PHE 142 N -0.39 0.55 -0.44 1.91 0.04 -0.38 -2.64 116.94 115.59 3h7i h PHE 142 Ca -0.04 -0.23 -0.11 0.00 2.80 0.00 0.00 57.97 60.39 3h7i h PHE 142 Cb 0.30 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3h7i h PHE 142 CO -0.05 0.97 -0.17 0.66 -0.60 0.00 0.00 178.31 179.13 3h7i h SER 143 N 0.30 0.85 0.19 2.17 4.64 -0.95 -1.86 113.55 118.88 3h7i h SER 143 Ca -0.02 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 3h7i h SER 143 Cb 1.25 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3h7i h SER 143 CO 0.12 1.01 -0.23 -0.07 -0.87 0.00 0.00 176.83 176.79 3h7i h LEU 144 N 0.75 0.08 -0.23 5.97 3.38 -1.32 -2.00 115.31 121.94 3h7i h LEU 144 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3h7i h LEU 144 Cb 0.69 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3h7i h LEU 144 CO 0.05 0.31 0.00 -0.62 0.09 0.00 0.00 178.44 178.27 3h7i n GLU 145 N -4.24 1.16 -0.52 1.13 1.02 -0.95 -4.93 120.64 113.32 3h7i n GLU 145 Ca -0.02 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 3h7i n GLU 145 Cb 0.30 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3h7i n GLU 145 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h7i n GLY 146 N 1.01 0.71 3.77 0.62 0.00 -0.75 -5.00 105.19 105.56 3h7i n GLY 146 Ca 0.22 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3h7i n GLY 146 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h7i s HIS 147 N -2.00 3.74 0.38 1.61 3.76 -0.74 -4.84 115.29 117.20 3h7i s HIS 147 Ca 0.00 1.28 -0.26 0.00 -0.15 0.00 0.00 55.06 55.93 3h7i s HIS 147 Cb 0.00 -2.61 -0.09 0.00 1.11 0.00 0.00 32.58 30.99 3h7i s HIS 147 CO 0.00 0.41 1.17 0.15 -0.85 0.00 0.00 174.74 175.62 3h7i s LYS 148 N -0.47 4.15 -0.03 1.40 1.02 -1.26 -4.37 119.74 120.17 3h7i s LYS 148 Ca 0.32 1.85 0.04 0.00 0.02 0.00 0.00 55.97 58.19 3h7i s LYS 148 Cb -0.19 -2.75 -0.00 0.00 -0.52 0.00 0.00 37.83 34.36 3h7i s LYS 148 CO 0.19 -0.24 -0.15 0.42 -0.92 0.00 0.00 175.35 174.65 3h7i s ILE 149 N -1.38 1.25 -0.17 2.17 1.01 -0.24 -1.38 121.20 122.47 3h7i s ILE 149 Ca 0.55 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3h7i s ILE 149 Cb -0.31 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.09 3h7i s ILE 149 CO 0.39 0.36 -0.17 -0.22 0.00 0.00 0.00 174.94 175.31 3h7i s LEU 150 N -0.01 2.35 -0.26 2.97 2.96 -0.26 -1.28 118.68 125.15 3h7i s LEU 150 Ca -0.02 -0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 53.22 3h7i s LEU 150 Cb -0.10 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 3h7i s LEU 150 CO 0.01 0.05 0.27 -0.63 -1.32 0.00 0.00 176.35 174.73 3h7i s ILE 151 N 1.03 5.26 -0.42 6.68 1.01 0.50 -0.49 121.20 134.78 3h7i s ILE 151 Ca -0.01 0.37 -0.15 0.00 0.00 0.00 0.00 60.65 60.85 3h7i s ILE 151 Cb -0.15 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.75 3h7i s ILE 151 CO -0.04 0.25 0.33 -0.63 0.00 0.00 0.00 174.94 174.84 3h7i s ILE 152 N 1.62 5.23 -0.20 2.92 1.01 -0.07 -0.94 121.20 130.77 3h7i s ILE 152 Ca 0.11 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 3h7i s ILE 152 Cb -0.15 -3.98 0.08 0.00 0.01 0.00 0.00 42.46 38.42 3h7i s ILE 152 CO 0.09 -0.37 0.44 -0.55 0.00 0.00 0.00 174.94 174.55 3h7i s SER 153 N 1.84 -0.45 0.12 3.58 0.15 -0.53 -0.63 113.70 117.78 3h7i s SER 153 Ca 0.06 1.01 -0.14 0.00 0.70 0.00 0.00 55.95 57.57 3h7i s SER 153 Cb -0.20 1.13 -0.04 0.00 -1.71 0.00 0.00 66.02 65.21 3h7i s SER 153 CO 0.10 -0.22 1.50 0.28 1.20 0.00 0.00 173.24 176.11 3h7i h SER 154 N 7.63 0.77 0.00 5.45 0.02 -1.89 -3.33 113.55 122.20 3h7i h SER 154 Ca -0.26 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 3h7i h SER 154 Cb 1.15 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3h7i h SER 154 CO 0.20 0.99 0.00 0.47 -1.14 0.00 0.00 176.83 177.34 3h7i n ASP 155 N -4.32 0.49 -4.77 3.07 9.92 -1.26 -4.72 116.55 114.96 3h7i n ASP 155 Ca -0.02 -1.20 -0.39 0.00 -0.53 0.00 0.00 54.79 52.65 3h7i n ASP 155 Cb 0.39 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.85 3h7i n ASP 155 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3h7i s GLY 156 N -0.20 2.91 -0.47 0.44 0.00 -1.26 -4.96 107.32 103.77 3h7i s GLY 156 Ca 0.00 1.09 -0.18 0.00 0.00 0.00 0.00 44.72 45.63 3h7i s GLY 156 CO 0.00 1.65 0.51 -0.35 0.00 0.00 0.00 173.10 174.91 3h7i s ASP 157 N -0.92 6.20 -0.20 1.64 3.68 -1.26 -4.89 116.67 120.92 3h7i s ASP 157 Ca 0.56 -0.90 0.15 0.00 2.13 0.00 0.00 52.55 54.49 3h7i s ASP 157 Cb -0.34 -2.25 0.45 0.00 -1.45 0.00 0.00 42.92 39.33 3h7i s ASP 157 CO 0.44 -0.73 1.34 0.49 0.13 0.00 0.00 175.17 176.84 3h7i n PHE 158 N 5.78 0.63 0.31 -5.34 3.72 -1.26 -4.69 117.46 116.61 3h7i n PHE 158 Ca -0.08 -1.18 0.20 0.00 -0.05 0.00 0.00 57.45 56.34 3h7i n PHE 158 Cb 0.46 -0.31 0.94 0.00 -0.94 0.00 0.00 39.48 39.62 3h7i n PHE 158 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3h7i h THR 159 N 1.02 0.04 0.00 4.37 1.35 -1.82 -0.05 112.91 117.82 3h7i h THR 159 Ca 0.06 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3h7i h THR 159 Cb 1.34 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3h7i h THR 159 CO 0.19 0.01 0.00 1.56 -0.25 0.00 0.00 175.52 177.03 3h7i h GLN 160 N 0.00 0.00 -0.48 4.72 4.20 -1.85 -1.64 115.11 120.06 3h7i h GLN 160 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h7i h GLN 160 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3h7i h GLN 160 CO 0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 3h7i n LEU 161 N -2.89 2.22 0.16 1.46 4.77 -0.03 -4.44 117.00 118.26 3h7i n LEU 161 Ca -0.02 -1.12 0.18 0.00 -0.03 0.00 0.00 56.01 55.02 3h7i n LEU 161 Cb 0.09 -0.33 0.79 0.00 -2.33 0.00 0.00 43.42 41.64 3h7i n LEU 161 CO 0.19 0.44 1.16 1.12 -1.33 0.00 0.00 177.39 178.97 3h7i h HIS 162 N 1.93 0.00 0.00 -1.77 2.07 -1.46 -2.15 115.15 113.78 3h7i h HIS 162 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3h7i h HIS 162 Cb 0.67 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.65 3h7i h HIS 162 CO 0.31 0.00 0.00 1.57 -3.07 0.00 0.00 177.93 176.74 3h7i h LYS 163 N 0.00 0.00 -6.15 5.12 2.10 -1.86 -3.45 116.57 112.32 3h7i h LYS 163 Ca 0.13 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.20 3h7i h LYS 163 Cb 0.69 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.97 3h7i h LYS 163 CO -0.00 0.00 -0.03 0.71 -2.00 0.00 0.00 179.45 178.13 3h7i s TYR 164 N -3.21 3.75 0.43 0.07 2.02 -0.81 -5.04 117.35 114.57 3h7i s TYR 164 Ca 0.08 1.23 -0.22 0.00 -0.37 0.00 0.00 57.07 57.78 3h7i s TYR 164 Cb 0.11 -2.54 -0.09 0.00 -0.40 0.00 0.00 41.96 39.03 3h7i s TYR 164 CO 0.53 0.48 1.03 -1.25 -1.57 0.00 0.00 175.55 174.76 3h7i s PRO 165 N -0.67 4.04 -1.15 -1.71 0.04 -1.26 -4.19 135.00 130.10 3h7i s PRO 165 Ca 0.30 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 3h7i s PRO 165 Cb -0.19 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3h7i s PRO 165 CO 0.18 -0.23 0.96 0.09 0.04 0.00 0.00 177.00 178.05 3h7i n ASN 166 N -0.48 -2.67 -4.23 6.66 5.03 -1.26 -4.82 115.26 113.50 3h7i n ASN 166 Ca 0.07 -0.57 -0.33 0.00 0.87 0.00 0.00 54.58 54.62 3h7i n ASN 166 Cb 0.51 -4.83 -0.16 0.00 -1.02 0.00 0.00 39.78 34.29 3h7i n ASN 166 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3h7i s VAL 167 N -3.33 2.49 0.27 2.41 1.01 -1.26 -1.08 120.40 120.90 3h7i s VAL 167 Ca 0.09 -0.83 0.12 0.00 0.00 0.00 0.00 61.98 61.35 3h7i s VAL 167 Cb -0.04 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 3h7i s VAL 167 CO 0.68 0.52 -0.20 -0.54 0.00 0.00 0.00 175.10 175.57 3h7i s LYS 168 N 0.89 1.64 -0.04 2.72 1.02 -0.40 -4.85 119.74 120.71 3h7i s LYS 168 Ca -0.04 -1.74 0.01 0.00 0.02 0.00 0.00 55.97 54.22 3h7i s LYS 168 Cb -0.15 -1.72 0.02 0.00 -0.52 0.00 0.00 37.83 35.46 3h7i s LYS 168 CO -0.02 0.32 -0.05 -1.14 -0.92 0.00 0.00 175.35 173.55 3h7i s GLN 169 N -3.46 0.82 -0.10 1.68 0.74 -1.26 -0.37 119.66 117.72 3h7i s GLN 169 Ca 0.29 -0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.58 3h7i s GLN 169 Cb -0.05 -0.82 -0.02 0.00 1.10 0.00 0.00 33.01 33.22 3h7i s GLN 169 CO 0.14 -0.06 -0.12 -0.46 -0.55 0.00 0.00 175.29 174.24 3h7i s TRP 170 N 0.82 2.81 -0.38 1.67 -0.11 -0.12 -0.58 118.94 123.04 3h7i s TRP 170 Ca -0.11 -0.41 -0.12 0.00 1.22 0.00 0.00 56.10 56.69 3h7i s TRP 170 Cb -0.14 -1.78 0.02 0.00 -1.50 0.00 0.00 33.47 30.08 3h7i s TRP 170 CO 0.00 -0.03 0.22 0.45 -4.62 0.00 0.00 176.95 172.98 3h7i s SER 171 N -0.08 5.79 0.18 5.86 0.15 -0.26 -1.45 113.70 123.90 3h7i s SER 171 Ca -0.02 -0.94 -0.09 0.00 0.70 0.00 0.00 55.95 55.61 3h7i s SER 171 Cb -0.14 -2.05 0.07 0.00 -1.71 0.00 0.00 66.02 62.20 3h7i s SER 171 CO 0.04 -0.38 1.65 -0.65 1.20 0.00 0.00 173.24 175.09 3h7i h PRO 172 N 8.46 1.09 -0.73 5.44 0.11 -1.87 0.14 132.00 144.64 3h7i h PRO 172 Ca -0.26 -0.34 -0.02 0.00 0.11 0.00 0.00 66.00 65.49 3h7i h PRO 172 Cb 1.11 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3h7i h PRO 172 CO 0.67 1.05 0.37 1.98 -0.21 0.00 0.00 178.00 181.87 3h7i h MET 173 N 1.00 1.04 -0.02 1.05 4.05 -1.92 -2.96 114.93 117.16 3h7i h MET 173 Ca 0.18 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 3h7i h MET 173 Cb 0.55 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 3h7i h MET 173 CO 0.03 0.80 -0.24 0.72 0.23 0.00 0.00 176.91 178.45 3h7i n HIS 174 N -4.43 0.00 -3.84 1.39 8.25 -1.19 -4.99 115.22 110.41 3h7i n HIS 174 Ca 0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.22 3h7i n HIS 174 Cb 0.12 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.22 3h7i n HIS 174 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3h7i n LYS 175 N 0.39 -2.13 -3.73 -0.41 5.02 0.46 -4.97 118.16 112.79 3h7i n LYS 175 Ca 0.12 0.40 -0.10 0.00 -2.02 0.00 0.00 58.31 56.71 3h7i n LYS 175 Cb 0.49 -4.18 -0.04 0.00 -0.02 0.00 0.00 35.03 31.28 3h7i n LYS 175 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3h7i s LYS 176 N -6.37 1.33 0.36 1.97 -2.85 -1.15 -5.00 119.74 108.02 3h7i s LYS 176 Ca 0.25 -0.85 -0.25 0.00 -1.00 0.00 0.00 55.97 54.12 3h7i s LYS 176 Cb -0.10 0.51 -0.10 0.00 -2.06 0.00 0.00 37.83 36.08 3h7i s LYS 176 CO 0.88 -0.56 0.99 -1.58 0.10 0.00 0.00 175.35 175.19 3h7i s TRP 177 N -3.87 3.49 -0.08 1.78 0.52 -1.26 -1.10 118.94 118.43 3h7i s TRP 177 Ca 0.09 1.71 0.04 0.00 0.02 0.00 0.00 56.10 57.95 3h7i s TRP 177 Cb -0.00 -3.01 -0.02 0.00 -1.15 0.00 0.00 33.47 29.30 3h7i s TRP 177 CO -0.04 -0.16 -0.19 0.08 0.02 0.00 0.00 176.95 176.66 3h7i s VAL 178 N -1.67 2.60 0.16 4.03 1.01 0.25 -4.90 120.40 121.87 3h7i s VAL 178 Ca 0.54 -0.86 -0.31 0.00 0.00 0.00 0.00 61.98 61.35 3h7i s VAL 178 Cb -0.19 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.08 3h7i s VAL 178 CO 0.25 0.56 1.53 -0.54 0.00 0.00 0.00 175.10 176.90 3h7i s LYS 179 N -0.16 4.24 -0.28 2.72 -0.14 -1.26 -4.07 119.74 120.79 3h7i s LYS 179 Ca -0.02 2.30 -0.12 0.00 -1.36 0.00 0.00 55.97 56.78 3h7i s LYS 179 Cb -0.14 -3.17 -0.13 0.00 -1.68 0.00 0.00 37.83 32.72 3h7i s LYS 179 CO 0.04 -0.56 -0.34 -0.89 -0.76 0.00 0.00 175.35 172.83 3h7i n ILE 180 N 3.86 1.52 -2.78 2.17 2.08 -1.26 -4.64 119.36 120.31 3h7i n ILE 180 Ca 0.13 -0.42 -0.43 0.00 0.56 0.00 0.00 62.75 62.60 3h7i n ILE 180 Cb 0.39 -1.81 -0.02 0.00 -0.75 0.00 0.00 39.64 37.45 3h7i n ILE 180 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3h7i s LYS 181 N -2.51 3.71 0.30 0.38 1.02 -1.26 -4.27 119.74 117.11 3h7i s LYS 181 Ca -0.38 -1.71 0.22 0.00 0.02 0.00 0.00 55.97 54.11 3h7i s LYS 181 Cb 0.14 -5.14 0.14 0.00 -0.52 0.00 0.00 37.83 32.45 3h7i s LYS 181 CO 0.51 -1.96 1.31 0.66 -0.92 0.00 0.00 175.35 174.94 3h7i h SER 182 N 8.75 0.00 0.00 2.83 4.64 -1.89 -3.48 113.55 124.41 3h7i h SER 182 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3h7i h SER 182 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3h7i h SER 182 CO 1.26 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.92 3h7i n GLY 183 N 1.16 2.57 0.72 -0.77 0.00 -1.26 -4.80 105.19 102.82 3h7i n GLY 183 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3h7i n GLY 183 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h7i n SER 184 N 0.00 1.19 -0.11 1.61 3.41 -1.26 -4.90 113.62 113.56 3h7i n SER 184 Ca 0.00 -2.68 -0.09 0.00 -0.26 0.00 0.00 58.87 55.84 3h7i n SER 184 Cb 0.00 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 3h7i n SER 184 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h7i h ALA 185 N 0.52 0.44 -0.44 7.33 0.00 -1.87 0.47 119.26 125.71 3h7i h ALA 185 Ca -0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3h7i h ALA 185 Cb 1.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3h7i h ALA 185 CO 0.03 0.04 -0.09 0.93 0.00 0.00 0.00 179.25 180.15 3h7i h GLU 186 N 0.41 0.84 -0.63 0.00 4.39 -1.90 -0.67 114.58 117.01 3h7i h GLU 186 Ca 0.11 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 3h7i h GLU 186 Cb 0.18 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3h7i h GLU 186 CO -0.01 0.94 0.18 0.82 -1.16 0.00 0.00 179.01 179.79 3h7i h ILE 187 N 0.67 1.25 -0.63 3.13 2.04 -1.86 -0.02 117.51 122.09 3h7i h ILE 187 Ca 0.11 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 65.02 3h7i h ILE 187 Cb 0.63 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3h7i h ILE 187 CO 0.04 0.33 0.07 0.44 0.00 0.00 0.00 178.15 179.03 3h7i h ASP 188 N 0.91 1.02 -0.35 1.72 3.32 -0.71 0.49 116.42 122.83 3h7i h ASP 188 Ca 0.20 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3h7i h ASP 188 Cb 0.31 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3h7i h ASP 188 CO -0.00 1.03 0.15 0.00 -1.72 0.00 0.00 179.24 178.70 3h7i h MET 190 N 0.42 0.00 -0.74 0.00 1.85 -0.59 -1.41 114.93 114.46 3h7i h MET 190 Ca 0.12 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.18 3h7i h MET 190 Cb 0.15 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.15 3h7i h MET 190 CO -0.01 0.37 0.36 1.15 -0.40 0.00 0.00 176.91 178.37 3h7i h THR 191 N 0.00 1.24 -0.39 -0.77 2.02 -0.82 0.18 112.91 114.37 3h7i h THR 191 Ca -0.00 -0.66 -0.13 0.00 0.77 0.00 0.00 66.41 66.38 3h7i h THR 191 Cb 0.69 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3h7i h THR 191 CO 0.05 0.28 -0.27 0.11 0.37 0.00 0.00 175.52 176.06 3h7i h LYS 192 N 1.03 0.87 -0.71 6.66 1.57 -1.27 0.13 116.57 124.86 3h7i h LYS 192 Ca 0.25 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3h7i h LYS 192 Cb 0.11 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3h7i h LYS 192 CO -0.03 1.06 0.35 0.82 -0.57 0.00 0.00 179.45 181.08 3h7i h ILE 193 N 0.68 1.23 0.12 1.86 2.04 -0.88 -0.51 117.51 122.05 3h7i h ILE 193 Ca 0.08 -0.63 -0.34 0.00 1.00 0.00 0.00 64.86 64.97 3h7i h ILE 193 Cb 0.84 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3h7i h ILE 193 CO 0.07 0.27 -1.82 -0.07 0.00 0.00 0.00 178.15 176.59 3h7i h LEU 194 N 0.99 0.39 -0.07 1.44 3.38 -0.93 -3.40 115.31 117.11 3h7i h LEU 194 Ca 0.25 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3h7i h LEU 194 Cb 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3h7i h LEU 194 CO -0.03 1.79 -0.86 0.29 0.09 0.00 0.00 178.44 179.72 3h7i n LYS 195 N -3.65 0.09 0.00 1.13 5.02 0.45 -1.27 118.16 119.93 3h7i n LYS 195 Ca -0.30 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 3h7i n LYS 195 Cb 0.99 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 3h7i n LYS 195 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h7i n GLY 196 N 1.49 0.17 2.62 0.72 0.00 -0.20 -3.29 105.19 106.70 3h7i n GLY 196 Ca 0.05 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.87 3h7i n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h7i s ASP 197 N -0.52 1.68 0.49 1.61 2.15 0.42 -4.35 116.67 118.16 3h7i s ASP 197 Ca 0.00 -1.99 0.16 0.00 0.43 0.00 0.00 52.55 51.15 3h7i s ASP 197 Cb 0.00 0.18 1.19 0.00 -0.30 0.00 0.00 42.92 43.99 3h7i s ASP 197 CO 0.00 -0.25 2.09 0.50 -0.17 0.00 0.00 175.17 177.33 3h7i h LYS 198 N 6.76 0.14 0.00 4.34 3.64 -1.91 -1.02 116.57 128.53 3h7i h LYS 198 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3h7i h LYS 198 Cb 1.01 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3h7i h LYS 198 CO 0.23 0.10 -0.06 1.57 -2.27 0.00 0.00 179.45 179.02 3h7i h LYS 199 N 0.15 0.00 -0.30 1.90 2.10 -1.96 -0.59 116.57 117.88 3h7i h LYS 199 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 3h7i h LYS 199 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 3h7i h LYS 199 CO -0.02 0.06 0.00 -0.25 -2.00 0.00 0.00 179.45 177.24 3h7i n ASP 200 N -3.60 3.50 -1.23 7.07 8.00 -0.47 -4.77 116.55 125.06 3h7i n ASP 200 Ca -0.02 -2.59 -0.14 0.00 0.71 0.00 0.00 54.79 52.74 3h7i n ASP 200 Cb 0.16 -0.41 -0.05 0.00 -0.02 0.00 0.00 41.12 40.80 3h7i n ASP 200 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3h7i n ASN 201 N -0.07 -4.65 -4.70 -2.24 4.13 -0.23 -0.77 115.26 106.73 3h7i n ASN 201 Ca 0.17 0.27 -0.40 0.00 1.68 0.00 0.00 54.58 56.30 3h7i n ASN 201 Cb 0.70 -3.51 -0.05 0.00 -1.54 0.00 0.00 39.78 35.38 3h7i n ASN 201 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3h7i s VAL 202 N -2.58 5.03 0.29 2.41 1.01 -0.72 -4.66 120.40 121.19 3h7i s VAL 202 Ca 0.00 1.40 0.06 0.00 0.00 0.00 0.00 61.98 63.44 3h7i s VAL 202 Cb 0.00 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3h7i s VAL 202 CO 0.00 0.20 0.37 0.00 0.00 0.00 0.00 175.10 175.67 3h7i s ALA 203 N 1.15 3.99 0.67 5.51 0.00 -1.26 -0.43 121.76 131.38 3h7i s ALA 203 Ca 0.35 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.74 3h7i s ALA 203 Cb -0.17 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 3h7i s ALA 203 CO 0.16 0.11 1.01 0.45 0.00 0.00 0.00 175.76 177.48 3h7i n SER 204 N -1.46 0.79 0.00 0.00 2.88 -1.21 -3.99 113.62 110.64 3h7i n SER 204 Ca -0.05 0.74 0.06 0.00 -1.33 0.00 0.00 58.87 58.29 3h7i n SER 204 Cb 0.58 -1.42 0.27 0.00 -0.75 0.00 0.00 64.21 62.89 3h7i n SER 204 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3h7i n VAL 205 N -2.15 0.97 0.99 2.46 0.24 -0.40 -2.29 118.33 118.15 3h7i n VAL 205 Ca 0.14 0.24 0.11 0.00 -2.04 0.00 0.00 64.34 62.79 3h7i n VAL 205 Cb 0.49 -1.04 0.32 0.00 -1.47 0.00 0.00 33.84 32.14 3h7i n VAL 205 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3h7i n LYS 206 N -1.40 1.95 -4.36 7.34 5.02 -1.26 -4.36 118.16 121.09 3h7i n LYS 206 Ca 0.04 -1.43 -0.18 0.00 -2.02 0.00 0.00 58.31 54.72 3h7i n LYS 206 Cb 0.12 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.60 3h7i n LYS 206 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3h7i s VAL 207 N -1.72 0.72 0.68 -0.18 -7.23 -0.97 -4.69 120.40 107.02 3h7i s VAL 207 Ca 0.34 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 3h7i s VAL 207 Cb 0.19 -2.67 0.01 0.00 0.56 0.00 0.00 36.38 34.47 3h7i s VAL 207 CO 0.28 0.00 1.23 0.00 -0.31 0.00 0.00 175.10 176.29 3h7i s ARG 208 N -3.98 2.40 0.24 4.82 1.70 -1.26 -4.83 118.95 118.04 3h7i s ARG 208 Ca 0.37 1.84 -0.05 0.00 -0.47 0.00 0.00 55.73 57.43 3h7i s ARG 208 Cb 0.08 -1.85 0.42 0.00 -0.57 0.00 0.00 34.95 33.02 3h7i s ARG 208 CO 0.14 -1.66 1.76 0.77 -1.08 0.00 0.00 175.30 175.24 3h7i h SER 209 N 0.13 0.44 -0.70 -2.89 0.02 -1.96 -1.94 113.55 106.66 3h7i h SER 209 Ca -0.49 0.08 -0.27 0.00 -0.84 0.00 0.00 61.79 60.27 3h7i h SER 209 Cb 1.31 0.01 -0.16 0.00 0.14 0.00 0.00 62.40 63.70 3h7i h SER 209 CO 0.52 0.22 0.34 -0.90 -1.14 0.00 0.00 176.83 175.87 3h7i n ASP 210 N -4.89 4.11 -0.20 3.07 3.85 -1.26 -4.35 116.55 116.87 3h7i n ASP 210 Ca 0.13 -3.12 0.00 0.00 -0.71 0.00 0.00 54.79 51.09 3h7i n ASP 210 Cb 0.35 -0.73 0.09 0.00 -1.35 0.00 0.00 41.12 39.47 3h7i n ASP 210 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3h7i h PHE 211 N 1.75 -0.11 0.00 2.11 3.57 -1.70 -1.19 116.94 121.37 3h7i h PHE 211 Ca 0.33 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.85 3h7i h PHE 211 Cb 2.25 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 41.13 3h7i h PHE 211 CO 1.17 -0.19 -0.15 -1.49 -2.23 0.00 0.00 178.31 175.43 3h7i h TRP 212 N 0.08 0.00 0.00 0.41 -0.00 -1.83 0.34 115.95 114.96 3h7i h TRP 212 Ca 0.31 0.00 -0.12 0.00 -0.00 0.00 0.00 58.89 59.07 3h7i h TRP 212 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.63 3h7i h TRP 212 CO -0.39 0.15 -1.27 0.35 -0.00 0.00 0.00 178.44 177.27 3h7i h PHE 213 N 0.00 0.00 -0.01 0.49 3.57 -1.58 -3.39 116.94 116.02 3h7i h PHE 213 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3h7i h PHE 213 Cb 0.48 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3h7i h PHE 213 CO 0.00 0.43 0.00 0.25 -2.23 0.00 0.00 178.31 176.76 3h7i n THR 214 N -2.85 1.04 -1.65 4.41 -2.24 -0.65 -5.06 114.28 107.29 3h7i n THR 214 Ca -0.07 -1.06 -0.47 0.00 -2.27 0.00 0.00 64.05 60.18 3h7i n THR 214 Cb 0.76 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 69.41 3h7i n THR 214 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3h7i n ARG 215 N -0.50 1.85 -3.80 -0.78 0.63 0.09 -5.00 116.66 109.14 3h7i n ARG 215 Ca 0.01 0.66 -0.20 0.00 -0.92 0.00 0.00 57.85 57.40 3h7i n ARG 215 Cb 0.28 -2.37 -0.02 0.00 0.45 0.00 0.00 32.46 30.80 3h7i n ARG 215 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3h7i s VAL 216 N 0.58 4.68 0.31 5.15 -7.23 -1.26 -5.04 120.40 117.60 3h7i s VAL 216 Ca 0.78 -1.05 -0.29 0.00 -1.81 0.00 0.00 61.98 59.60 3h7i s VAL 216 Cb -0.75 -3.63 -0.12 0.00 0.56 0.00 0.00 36.38 32.45 3h7i s VAL 216 CO 0.43 -0.26 1.50 -0.62 -0.31 0.00 0.00 175.10 175.83 3h7i n GLU 217 N -1.47 2.51 0.00 4.82 1.02 -1.26 -1.66 120.64 124.61 3h7i n GLU 217 Ca -0.05 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 3h7i n GLU 217 Cb 0.58 -2.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3h7i n GLU 217 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h7i n GLY 218 N 1.52 2.56 3.77 0.62 0.00 -1.26 -5.05 105.19 107.36 3h7i n GLY 218 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3h7i n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h7i s GLU 219 N -0.55 4.10 0.09 1.61 2.02 -0.66 -5.03 118.70 120.26 3h7i s GLU 219 Ca 0.00 1.88 0.02 0.00 0.02 0.00 0.00 54.97 56.89 3h7i s GLU 219 Cb 0.00 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 3h7i s GLU 219 CO 0.00 -0.30 -0.07 1.03 0.02 0.00 0.00 175.26 175.95 3h7i s ARG 220 N -2.22 0.78 -0.24 1.61 1.81 -1.26 -4.97 118.95 114.47 3h7i s ARG 220 Ca 0.56 -1.24 -0.19 0.00 -1.72 0.00 0.00 55.73 53.14 3h7i s ARG 220 Cb -0.32 -0.21 -0.03 0.00 -0.45 0.00 0.00 34.95 33.94 3h7i s ARG 220 CO 0.40 -0.01 0.54 0.99 -0.68 0.00 0.00 175.30 176.55 3h7i s THR 221 N -3.26 5.06 0.41 0.02 2.01 -1.26 -5.03 115.64 113.59 3h7i s THR 221 Ca 0.08 0.96 -0.27 0.00 0.31 0.00 0.00 61.69 62.78 3h7i s THR 221 Cb 0.03 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.59 3h7i s THR 221 CO -0.04 0.11 1.42 -2.84 -0.69 0.00 0.00 174.62 172.57 3h7i s PRO 222 N 2.11 3.92 0.68 4.92 0.02 -1.26 -4.95 135.00 140.44 3h7i s PRO 222 Ca 0.23 2.41 -0.14 0.00 0.02 0.00 0.00 61.00 63.52 3h7i s PRO 222 Cb -0.16 -2.80 0.01 0.00 0.02 0.00 0.00 34.50 31.57 3h7i s PRO 222 CO 0.09 -0.63 1.10 -1.54 -0.33 0.00 0.00 177.00 175.70 3h7i s SER 223 N -0.43 5.02 -0.01 2.53 1.04 -1.26 -4.89 113.70 115.70 3h7i s SER 223 Ca 0.57 1.95 0.05 0.00 0.48 0.00 0.00 55.95 59.00 3h7i s SER 223 Cb -0.43 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.13 3h7i s SER 223 CO 0.57 -1.69 -0.17 -0.32 0.98 0.00 0.00 173.24 172.61 3h7i s MET 224 N -4.26 1.38 0.16 4.02 1.75 -1.26 -5.09 119.30 115.99 3h7i s MET 224 Ca 0.66 -0.60 -0.30 0.00 -1.25 0.00 0.00 55.69 54.19 3h7i s MET 224 Cb -0.20 -1.33 -0.08 0.00 2.84 0.00 0.00 34.83 36.06 3h7i s MET 224 CO 0.44 0.36 1.33 0.15 -0.65 0.00 0.00 175.02 176.65 3h7i s LYS 225 N -0.38 4.37 0.47 4.11 -0.14 -1.26 -4.90 119.74 122.00 3h7i s LYS 225 Ca 0.06 2.04 0.17 0.00 -1.36 0.00 0.00 55.97 56.89 3h7i s LYS 225 Cb -0.07 -3.22 1.16 0.00 -1.68 0.00 0.00 37.83 34.02 3h7i s LYS 225 CO -0.01 -0.32 2.00 1.15 -0.76 0.00 0.00 175.35 177.41 3h7i h THR 226 N 3.97 0.85 -0.00 2.17 2.02 -2.00 -0.48 112.91 119.43 3h7i h THR 226 Ca -0.44 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 3h7i h THR 226 Cb 1.21 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3h7i h THR 226 CO 0.81 0.05 -0.23 0.77 0.37 0.00 0.00 175.52 177.28 3h7i h SER 227 N 0.26 0.01 -0.27 4.18 4.64 -1.99 -0.27 113.55 120.10 3h7i h SER 227 Ca 0.25 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.51 3h7i h SER 227 Cb 0.65 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3h7i h SER 227 CO -0.05 0.24 -0.08 0.40 -0.87 0.00 0.00 176.83 176.47 3h7i h ILE 228 N 0.01 1.28 -0.40 0.95 2.04 -1.46 0.09 117.51 120.02 3h7i h ILE 228 Ca -0.00 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 64.79 3h7i h ILE 228 Cb 0.42 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 3h7i h ILE 228 CO 0.03 0.35 0.18 0.58 0.00 0.00 0.00 178.15 179.29 3h7i h VAL 229 N 0.28 0.94 -0.49 1.67 2.07 -1.29 -0.47 116.25 118.97 3h7i h VAL 229 Ca 0.07 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 3h7i h VAL 229 Cb 0.56 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3h7i h VAL 229 CO 0.03 0.07 -0.01 -0.33 0.02 0.00 0.00 177.57 177.34 3h7i h GLU 230 N 0.37 0.87 -0.62 1.57 5.08 -0.98 -0.34 114.58 120.52 3h7i h GLU 230 Ca 0.17 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3h7i h GLU 230 Cb 0.11 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3h7i h GLU 230 CO -0.14 0.91 0.40 0.00 -1.00 0.00 0.00 179.01 179.18 3h7i h ALA 231 N 0.92 0.79 -0.02 3.43 0.00 -0.64 -1.60 119.26 122.14 3h7i h ALA 231 Ca 0.14 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 3h7i h ALA 231 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h7i h ALA 231 CO 0.03 0.24 -0.83 0.82 0.00 0.00 0.00 179.25 179.51 3h7i h ILE 232 N 0.84 1.44 -0.87 0.00 2.04 -0.92 -1.93 117.51 118.12 3h7i h ILE 232 Ca 0.23 -2.42 0.05 0.00 1.00 0.00 0.00 64.86 63.71 3h7i h ILE 232 Cb -0.07 2.33 -0.06 0.00 -0.74 0.00 0.00 36.82 38.29 3h7i h ILE 232 CO -0.05 0.71 0.55 0.00 0.00 0.00 0.00 178.15 179.37 3h7i h ALA 233 N 0.95 1.17 -0.06 1.87 0.00 -0.85 -2.28 119.26 120.06 3h7i h ALA 233 Ca -0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3h7i h ALA 233 Cb 1.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3h7i h ALA 233 CO 0.13 0.35 -0.76 -0.91 0.00 0.00 0.00 179.25 178.06 3h7i h ASN 234 N 1.04 0.43 -2.00 0.00 2.35 -1.17 -3.41 115.58 112.82 3h7i h ASN 234 Ca 0.36 -0.29 -0.29 0.00 -0.55 0.00 0.00 56.30 55.52 3h7i h ASN 234 Cb 0.08 -0.13 -0.32 0.00 0.05 0.00 0.00 38.32 38.01 3h7i h ASN 234 CO -0.14 1.04 -0.61 -0.62 -1.65 0.00 0.00 177.43 175.44 3h7i s ASP 235 N -6.97 1.27 0.47 5.81 3.68 -0.74 -5.02 116.67 115.17 3h7i s ASP 235 Ca -0.05 -0.75 0.32 0.00 2.13 0.00 0.00 52.55 54.20 3h7i s ASP 235 Cb 0.10 0.68 1.55 0.00 -1.45 0.00 0.00 42.92 43.80 3h7i s ASP 235 CO 0.84 -0.37 1.97 0.03 0.13 0.00 0.00 175.17 177.77 3h7i h ARG 236 N 8.11 0.00 0.00 4.34 3.08 -1.66 0.17 114.38 128.41 3h7i h ARG 236 Ca -0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3h7i h ARG 236 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 3h7i h ARG 236 CO 0.30 0.00 -0.05 0.93 -1.07 0.00 0.00 179.97 180.08 3h7i h GLU 237 N 0.00 0.00 0.00 0.04 4.39 -1.94 -1.01 114.58 116.06 3h7i h GLU 237 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3h7i h GLU 237 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3h7i h GLU 237 CO 0.00 0.05 0.00 1.04 -1.16 0.00 0.00 179.01 178.94 3h7i n GLN 238 N -3.78 0.09 0.01 2.33 1.13 0.05 -2.53 117.38 114.67 3h7i n GLN 238 Ca -0.03 0.49 0.04 0.00 -1.94 0.00 0.00 57.00 55.56 3h7i n GLN 238 Cb 0.14 -1.73 0.41 0.00 0.11 0.00 0.00 30.24 29.17 3h7i n GLN 238 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h7i h ALA 239 N 2.14 1.67 0.00 -1.58 0.00 -1.37 -0.10 119.26 120.03 3h7i h ALA 239 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h7i h ALA 239 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3h7i h ALA 239 CO 0.00 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.17 3h7i n LYS 240 N -4.45 0.02 -0.09 0.00 5.02 -1.05 -2.49 118.16 115.11 3h7i n LYS 240 Ca 0.03 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.21 3h7i n LYS 240 Cb 0.08 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.48 3h7i n LYS 240 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h7i n VAL 241 N -1.49 1.15 0.59 -0.18 0.31 -0.59 -4.67 118.33 113.46 3h7i n VAL 241 Ca 0.07 -0.55 0.08 0.00 -0.01 0.00 0.00 64.34 63.94 3h7i n VAL 241 Cb 0.33 -0.97 -0.11 0.00 -0.91 0.00 0.00 33.84 32.19 3h7i n VAL 241 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3h7i n LEU 242 N -2.90 0.59 -4.70 7.52 4.77 -0.15 -4.92 117.00 117.21 3h7i n LEU 242 Ca -0.32 -0.37 -0.32 0.00 -0.03 0.00 0.00 56.01 54.97 3h7i n LEU 242 Cb 0.94 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.95 3h7i n LEU 242 CO 0.26 0.15 -0.31 -0.76 -1.33 0.00 0.00 177.39 175.40 3h7i s LEU 243 N -3.19 3.56 1.04 2.23 1.43 -1.04 -5.08 118.68 117.64 3h7i s LEU 243 Ca 0.03 -0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 52.96 3h7i s LEU 243 Cb 0.13 -2.15 0.21 0.00 0.03 0.00 0.00 46.19 44.41 3h7i s LEU 243 CO 0.71 0.23 1.08 0.42 0.23 0.00 0.00 176.35 179.03 3h7i s THR 244 N -1.20 2.03 0.17 5.49 -4.23 -1.26 -4.76 115.64 111.88 3h7i s THR 244 Ca 0.23 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.61 3h7i s THR 244 Cb -0.12 -2.42 0.07 0.00 1.34 0.00 0.00 72.50 71.37 3h7i s THR 244 CO 0.14 -0.01 1.75 -0.08 -0.54 0.00 0.00 174.62 175.89 3h7i h GLU 245 N -2.06 0.34 -0.66 3.99 4.81 -1.96 0.16 114.58 119.19 3h7i h GLU 245 Ca -0.56 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.59 3h7i h GLU 245 Cb 1.33 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 3h7i h GLU 245 CO 0.56 0.22 0.17 1.03 -0.73 0.00 0.00 179.01 180.27 3h7i h SER 246 N 0.35 1.00 -0.43 1.04 0.87 -1.96 -0.91 113.55 113.51 3h7i h SER 246 Ca 0.21 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.45 3h7i h SER 246 Cb 0.19 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3h7i h SER 246 CO -0.20 0.97 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.68 3h7i h GLU 247 N 0.98 0.86 -0.56 2.24 5.08 -1.65 -2.33 114.58 119.20 3h7i h GLU 247 Ca 0.21 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 3h7i h GLU 247 Cb 0.35 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3h7i h GLU 247 CO 0.00 0.89 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.96 3h7i h TYR 248 N 0.78 1.08 -0.61 4.33 3.20 -0.14 0.67 116.97 126.28 3h7i h TYR 248 Ca 0.14 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 3h7i h TYR 248 Cb 0.55 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3h7i h TYR 248 CO 0.03 0.97 0.18 -0.91 -1.64 0.00 0.00 178.16 176.79 3h7i h ASN 249 N 0.91 0.87 -0.39 -2.11 2.35 -1.00 -1.40 115.58 114.80 3h7i h ASN 249 Ca 0.16 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 3h7i h ASN 249 Cb 0.56 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3h7i h ASN 249 CO 0.03 0.83 -0.18 0.03 -1.65 0.00 0.00 177.43 176.49 3h7i h ARG 250 N 0.90 0.88 -0.64 0.81 2.47 -1.00 -2.64 114.38 115.15 3h7i h ARG 250 Ca 0.20 -0.34 0.04 0.00 -1.26 0.00 0.00 59.98 58.62 3h7i h ARG 250 Cb 0.28 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.51 3h7i h ARG 250 CO -0.01 0.99 0.37 -0.92 0.56 0.00 0.00 179.97 180.97 3h7i h TYR 251 N 0.77 0.69 -0.79 3.04 3.20 -0.38 0.29 116.97 123.79 3h7i h TYR 251 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3h7i h TYR 251 Cb 0.72 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 3h7i h TYR 251 CO 0.04 0.36 0.50 0.87 -1.64 0.00 0.00 178.16 178.29 3h7i h LYS 252 N 0.71 1.06 -0.19 1.82 1.57 -1.02 -0.34 116.57 120.17 3h7i h LYS 252 Ca 0.27 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3h7i h LYS 252 Cb 0.11 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3h7i h LYS 252 CO -0.14 0.72 0.11 0.93 -0.57 0.00 0.00 179.45 180.49 3h7i h GLU 253 N 1.08 0.27 0.00 3.15 5.08 -1.08 -3.04 114.58 120.04 3h7i h GLU 253 Ca 0.29 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 3h7i h GLU 253 Cb -0.08 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3h7i h GLU 253 CO -0.06 0.26 -0.27 -0.91 -1.00 0.00 0.00 179.01 177.03 3h7i h ASN 254 N 0.21 0.00 -0.54 1.42 -0.26 -0.42 -2.42 115.58 113.57 3h7i h ASN 254 Ca 0.07 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.85 3h7i h ASN 254 Cb 0.06 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.28 3h7i h ASN 254 CO -0.01 0.27 0.29 -0.07 -1.06 0.00 0.00 177.43 176.85 3h7i h LEU 255 N 0.00 0.44 -1.22 1.61 3.38 -0.95 -0.41 115.31 118.16 3h7i h LEU 255 Ca -0.00 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3h7i h LEU 255 Cb 0.52 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3h7i h LEU 255 CO 0.04 0.30 0.03 0.58 0.09 0.00 0.00 178.44 179.47 3h7i h VAL 256 N 0.56 1.20 0.00 1.22 2.07 -1.46 0.80 116.25 120.65 3h7i h VAL 256 Ca 0.23 -0.76 -0.15 0.00 0.82 0.00 0.00 66.70 66.85 3h7i h VAL 256 Cb 0.11 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3h7i h VAL 256 CO -0.14 0.27 -0.69 -0.07 0.02 0.00 0.00 177.57 176.95 3h7i h LEU 257 N 0.54 0.00 0.00 2.57 3.38 -1.13 -3.41 115.31 117.26 3h7i h LEU 257 Ca 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 3h7i h LEU 257 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3h7i h LEU 257 CO 0.01 0.69 -1.54 -0.38 0.09 0.00 0.00 178.44 177.31 3h7i n ILE 258 N -3.43 0.54 -3.11 1.22 2.08 -0.24 -5.03 119.36 111.39 3h7i n ILE 258 Ca 0.00 -0.18 -0.40 0.00 0.56 0.00 0.00 62.75 62.73 3h7i n ILE 258 Cb 0.75 -1.08 -0.06 0.00 -0.75 0.00 0.00 39.64 38.50 3h7i n ILE 258 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3h7i s ASP 259 N -5.21 6.67 0.58 4.38 3.68 0.25 -4.93 116.67 122.10 3h7i s ASP 259 Ca -0.13 0.82 0.28 0.00 2.13 0.00 0.00 52.55 55.65 3h7i s ASP 259 Cb 0.04 -2.35 1.73 0.00 -1.45 0.00 0.00 42.92 40.89 3h7i s ASP 259 CO 0.20 -0.30 2.21 -0.26 0.13 0.00 0.00 175.17 177.15 3h7i h PHE 260 N 7.56 0.00 0.00 -5.34 0.04 -1.94 0.00 116.94 117.26 3h7i h PHE 260 Ca -0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.47 3h7i h PHE 260 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 3h7i h PHE 260 CO 0.72 0.00 0.00 -0.25 -0.60 0.00 0.00 178.31 178.18 3h7i n ASP 261 N -3.91 0.00 -1.13 2.17 8.00 -1.26 -2.68 116.55 117.74 3h7i n ASP 261 Ca -0.02 0.47 0.08 0.00 0.71 0.00 0.00 54.79 56.03 3h7i n ASP 261 Cb 0.15 -0.49 0.27 0.00 -0.02 0.00 0.00 41.12 41.03 3h7i n ASP 261 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h7i n TYR 262 N -1.49 1.02 -1.82 1.24 4.02 -0.01 -4.92 117.16 115.20 3h7i n TYR 262 Ca 0.05 -0.63 -0.42 0.00 -0.01 0.00 0.00 57.90 56.89 3h7i n TYR 262 Cb 0.23 -0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.34 3h7i n TYR 262 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3h7i s ILE 263 N -1.74 2.72 0.65 -0.72 1.01 -1.09 -4.73 121.20 117.30 3h7i s ILE 263 Ca 0.41 0.26 -0.18 0.00 0.00 0.00 0.00 60.65 61.14 3h7i s ILE 263 Cb 0.26 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 3h7i s ILE 263 CO 0.19 0.00 1.29 -2.84 0.00 0.00 0.00 174.94 173.59 3h7i s PRO 264 N 2.47 2.52 0.27 2.79 0.02 -1.26 -4.74 135.00 137.07 3h7i s PRO 264 Ca 0.77 2.06 -0.00 0.00 0.02 0.00 0.00 61.00 63.84 3h7i s PRO 264 Cb -0.43 -1.84 0.56 0.00 0.02 0.00 0.00 34.50 32.80 3h7i s PRO 264 CO 0.34 -1.62 1.76 -0.44 -0.33 0.00 0.00 177.00 176.71 3h7i h ASP 265 N 0.49 0.55 -0.67 2.53 3.45 -1.97 -1.50 116.42 119.30 3h7i h ASP 265 Ca -0.51 0.09 -0.06 0.00 0.43 0.00 0.00 57.03 56.99 3h7i h ASP 265 Cb 1.34 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 40.08 3h7i h ASP 265 CO 0.53 0.22 0.19 -0.55 -1.57 0.00 0.00 179.24 178.06 3h7i h ASN 266 N 0.63 1.01 0.19 6.45 -1.07 -1.98 0.20 115.58 121.01 3h7i h ASN 266 Ca 0.48 -0.20 -0.01 0.00 0.07 0.00 0.00 56.30 56.64 3h7i h ASN 266 Cb 0.69 -0.27 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 3h7i h ASN 266 CO -0.37 0.96 -0.09 0.40 0.07 0.00 0.00 177.43 178.40 3h7i h ILE 267 N 1.03 0.89 -0.55 6.14 1.08 -1.66 -0.71 117.51 123.72 3h7i h ILE 267 Ca 0.22 -0.35 0.01 0.00 -0.39 0.00 0.00 64.86 64.35 3h7i h ILE 267 Cb 0.33 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.15 3h7i h ILE 267 CO -0.00 0.08 0.36 0.00 -0.69 0.00 0.00 178.15 177.90 3h7i h ALA 268 N 0.36 0.70 -0.74 1.87 0.00 -1.19 -1.33 119.26 118.93 3h7i h ALA 268 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h7i h ALA 268 Cb 0.32 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3h7i h ALA 268 CO 0.04 0.12 0.48 0.77 0.00 0.00 0.00 179.25 180.65 3h7i h SER 269 N 0.73 0.87 -0.67 0.00 0.02 -0.58 -1.20 113.55 112.72 3h7i h SER 269 Ca 0.21 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3h7i h SER 269 Cb -0.06 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 3h7i h SER 269 CO -0.06 0.65 0.42 0.78 -1.14 0.00 0.00 176.83 177.49 3h7i h ASN 270 N 1.01 0.70 -0.26 3.07 2.35 -0.73 0.17 115.58 121.89 3h7i h ASN 270 Ca 0.27 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3h7i h ASN 270 Cb -0.09 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3h7i h ASN 270 CO -0.06 0.49 0.13 0.40 -1.65 0.00 0.00 177.43 176.74 3h7i h ILE 271 N 0.84 1.14 -0.50 2.81 2.04 -0.89 -0.64 117.51 122.32 3h7i h ILE 271 Ca 0.27 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 3h7i h ILE 271 Cb -0.01 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3h7i h ILE 271 CO -0.10 0.14 0.02 0.58 0.00 0.00 0.00 178.15 178.80 3h7i h VAL 272 N 0.29 1.26 -0.65 1.67 2.07 -0.94 -1.53 116.25 118.42 3h7i h VAL 272 Ca 0.09 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 3h7i h VAL 272 Cb 0.11 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3h7i h VAL 272 CO -0.01 0.37 0.17 0.78 0.02 0.00 0.00 177.57 178.89 3h7i h ASN 273 N 0.72 0.96 -0.56 0.57 -0.26 -0.56 -0.09 115.58 116.36 3h7i h ASN 273 Ca 0.14 -0.19 -0.05 0.00 -0.56 0.00 0.00 56.30 55.64 3h7i h ASN 273 Cb 0.48 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 3h7i h ASN 273 CO 0.02 0.92 0.15 0.22 -1.06 0.00 0.00 177.43 177.69 3h7i h TYR 274 N 0.98 0.93 0.07 1.19 5.03 -0.89 -1.22 116.97 123.06 3h7i h TYR 274 Ca 0.21 -0.10 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 3h7i h TYR 274 Cb 0.33 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.35 3h7i h TYR 274 CO 0.02 0.79 -0.03 -0.92 -1.32 0.00 0.00 178.16 176.70 3h7i h TYR 275 N 0.80 -0.09 -0.28 -3.82 3.20 -0.88 -2.34 116.97 113.57 3h7i h TYR 275 Ca 0.18 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 3h7i h TYR 275 Cb 0.32 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3h7i h TYR 275 CO 0.02 0.02 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.57 3h7i h ASN 276 N -0.18 0.43 -0.04 -2.11 2.35 -0.85 -2.51 115.58 112.66 3h7i h ASN 276 Ca -0.01 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3h7i h ASN 276 Cb 0.15 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3h7i h ASN 276 CO 0.02 0.56 0.00 -1.54 -1.65 0.00 0.00 177.43 174.81 3h7i n SER 277 N -4.24 1.60 -4.72 5.81 3.41 -0.48 -4.97 113.62 110.03 3h7i n SER 277 Ca 0.01 -1.56 -0.42 0.00 -0.26 0.00 0.00 58.87 56.64 3h7i n SER 277 Cb 0.29 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 3h7i n SER 277 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h7i n TYR 278 N 0.25 2.76 -2.88 7.33 4.19 -0.88 -4.90 117.16 123.02 3h7i n TYR 278 Ca 0.18 0.09 -0.43 0.00 3.31 0.00 0.00 57.90 61.05 3h7i n TYR 278 Cb 0.36 -2.66 -0.03 0.00 0.49 0.00 0.00 39.34 37.50 3h7i n TYR 278 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 3h7i s LYS 279 N 0.83 3.27 -0.02 2.98 2.20 -1.26 -5.02 119.74 122.72 3h7i s LYS 279 Ca 0.73 -1.15 -0.30 0.00 -0.36 0.00 0.00 55.97 54.89 3h7i s LYS 279 Cb -0.51 -4.48 -0.04 0.00 -1.51 0.00 0.00 37.83 31.29 3h7i s LYS 279 CO 0.36 -1.81 1.24 -1.17 -0.36 0.00 0.00 175.35 173.61 3h7i s LEU 280 N 3.61 4.31 0.44 5.43 2.96 -1.26 -4.98 118.68 129.19 3h7i s LEU 280 Ca 0.26 1.91 -0.25 0.00 -0.22 0.00 0.00 54.13 55.83 3h7i s LEU 280 Cb -0.13 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 3h7i s LEU 280 CO 0.03 -0.58 1.37 -2.84 -1.32 0.00 0.00 176.35 173.01 3h7i s PRO 281 N 2.00 3.74 0.48 0.98 0.02 -1.26 -4.99 135.00 135.96 3h7i s PRO 281 Ca 0.58 2.30 -0.24 0.00 0.02 0.00 0.00 61.00 63.65 3h7i s PRO 281 Cb -0.27 -2.65 -0.08 0.00 0.02 0.00 0.00 34.50 31.52 3h7i s PRO 281 CO 0.24 -0.73 1.34 -2.30 -0.33 0.00 0.00 177.00 175.23 3h7i n PRO 282 N -0.16 1.93 0.29 5.54 -0.02 -1.26 -4.71 135.00 136.61 3h7i n PRO 282 Ca 0.05 0.70 0.16 0.00 -2.02 0.00 0.00 63.50 62.38 3h7i n PRO 282 Cb 0.43 -2.52 0.87 0.00 -0.02 0.00 0.00 33.50 32.26 3h7i n PRO 282 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h7i h ARG 283 N 1.90 0.00 -0.00 -0.52 3.08 -1.94 -1.96 114.38 114.95 3h7i h ARG 283 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3h7i h ARG 283 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 3h7i h ARG 283 CO 0.59 0.06 0.00 0.78 -1.07 0.00 0.00 179.97 180.33 3h7i h GLY 284 N 0.55 0.00 2.00 0.04 0.00 -1.93 -2.60 103.07 101.12 3h7i h GLY 284 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h7i h GLY 284 CO 0.01 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.05 3h7i h LYS 285 N 0.00 0.00 0.12 4.80 1.79 -1.59 -3.16 116.57 118.52 3h7i h LYS 285 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3h7i h LYS 285 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 3h7i h LYS 285 CO -0.00 0.00 -0.06 0.82 -1.08 0.00 0.00 179.45 179.13 3h7i h ILE 286 N 0.00 0.99 -0.43 1.86 2.04 -1.47 -0.73 117.51 119.78 3h7i h ILE 286 Ca 0.00 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.46 3h7i h ILE 286 Cb 0.56 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 3h7i h ILE 286 CO 0.00 0.10 0.21 0.22 0.00 0.00 0.00 178.15 178.69 3h7i h TYR 287 N -0.36 0.39 -0.20 1.37 3.20 -1.76 -0.60 116.97 119.02 3h7i h TYR 287 Ca -0.02 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 3h7i h TYR 287 Cb 0.29 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3h7i h TYR 287 CO -0.01 0.20 -0.30 0.66 -1.64 0.00 0.00 178.16 177.08 3h7i h SER 288 N 0.43 0.39 -0.23 -2.11 4.64 -1.56 -0.59 113.55 114.52 3h7i h SER 288 Ca 0.18 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3h7i h SER 288 Cb 0.09 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3h7i h SER 288 CO -0.13 0.68 0.06 0.22 -0.87 0.00 0.00 176.83 176.79 3h7i h TYR 289 N 0.34 0.39 -0.91 4.77 3.20 -0.69 -0.61 116.97 123.46 3h7i h TYR 289 Ca 0.05 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3h7i h TYR 289 Cb 0.70 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 3h7i h TYR 289 CO 0.02 0.47 0.54 0.74 -1.64 0.00 0.00 178.16 178.29 3h7i h PHE 290 N 0.20 1.21 -0.16 -3.82 -1.00 -0.58 -0.33 116.94 112.47 3h7i h PHE 290 Ca 0.07 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 3h7i h PHE 290 Cb 0.27 -0.40 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 3h7i h PHE 290 CO 0.01 0.81 0.05 0.28 -1.61 0.00 0.00 178.31 177.85 3h7i h VAL 291 N 1.26 1.18 -0.62 -0.55 2.07 -0.97 0.80 116.25 119.42 3h7i h VAL 291 Ca 0.33 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3h7i h VAL 291 Cb -0.04 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3h7i h VAL 291 CO -0.06 0.17 0.33 0.50 0.02 0.00 0.00 177.57 178.53 3h7i h LYS 292 N 0.08 0.86 -0.06 1.57 3.64 -0.58 -1.07 116.57 121.01 3h7i h LYS 292 Ca 0.05 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3h7i h LYS 292 Cb 0.21 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3h7i h LYS 292 CO -0.00 0.64 0.00 0.00 -2.27 0.00 0.00 179.45 177.82 3h7i n ALA 293 N -2.44 2.57 -1.83 5.00 0.00 -0.18 -4.92 120.51 118.70 3h7i n ALA 293 Ca 0.06 -0.44 -0.07 0.00 0.00 0.00 0.00 53.44 52.99 3h7i n ALA 293 Cb 0.11 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 3h7i n ALA 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h7i n GLY 294 N 1.14 0.35 2.73 0.00 0.00 -0.41 -4.92 105.19 104.08 3h7i n GLY 294 Ca 0.18 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 3h7i n GLY 294 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h7i n LEU 295 N -0.89 7.10 0.23 0.99 4.77 0.22 -4.76 117.00 124.66 3h7i n LEU 295 Ca -0.07 -4.60 0.09 0.00 -0.03 0.00 0.00 56.01 51.40 3h7i n LEU 295 Cb 0.45 -1.49 0.55 0.00 -2.33 0.00 0.00 43.42 40.60 3h7i n LEU 295 CO 0.09 1.52 0.85 0.77 -1.33 0.00 0.00 177.39 179.29 3h7i h SER 296 N 5.51 0.00 0.57 -1.43 4.64 -1.92 -2.11 113.55 118.82 3h7i h SER 296 Ca 0.51 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.63 3h7i h SER 296 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3h7i h SER 296 CO 1.65 0.23 -0.91 0.11 -0.87 0.00 0.00 176.83 177.03 3h7i h LYS 297 N 0.00 0.22 0.00 4.77 1.57 -1.97 -3.30 116.57 117.86 3h7i h LYS 297 Ca -0.00 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 3h7i h LYS 297 Cb 0.54 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3h7i h LYS 297 CO 0.03 0.99 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.64 3h7i h LEU 298 N 0.12 0.00 -2.20 2.94 3.38 -1.80 -3.11 115.31 114.64 3h7i h LEU 298 Ca -0.05 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3h7i h LEU 298 Cb 1.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 3h7i h LEU 298 CO 0.14 0.18 0.20 0.74 0.09 0.00 0.00 178.44 179.78 3h7i h THR 299 N 0.00 0.53 0.00 0.22 2.02 -1.52 0.27 112.91 114.43 3h7i h THR 299 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3h7i h THR 299 Cb 1.14 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3h7i h THR 299 CO 0.02 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.50 3h7i n ASN 300 N -3.91 0.42 -0.38 4.18 3.02 -1.17 -3.57 115.26 113.85 3h7i n ASN 300 Ca 0.02 0.57 0.09 0.00 -0.03 0.00 0.00 54.58 55.23 3h7i n ASN 300 Cb 0.32 -0.67 0.17 0.00 -0.61 0.00 0.00 39.78 39.00 3h7i n ASN 300 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3h7i n SER 301 N -1.93 2.89 -0.25 6.41 7.64 0.94 -4.80 113.62 124.51 3h7i n SER 301 Ca 0.04 -2.96 0.06 0.00 1.01 0.00 0.00 58.87 57.02 3h7i n SER 301 Cb 0.29 -0.44 0.19 0.00 -1.01 0.00 0.00 64.21 63.25 3h7i n SER 301 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3h7i h ILE 302 N 0.71 0.57 0.00 0.44 1.08 -1.59 0.14 117.51 118.86 3h7i h ILE 302 Ca 0.00 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.35 3h7i h ILE 302 Cb 1.12 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 3h7i h ILE 302 CO 0.08 0.06 -0.01 -0.55 -0.69 0.00 0.00 178.15 177.05 3h7i h ASN 303 N 0.35 0.00 0.62 1.72 -1.07 -1.91 -1.20 115.58 114.09 3h7i h ASN 303 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.79 3h7i h ASN 303 Cb 0.70 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.95 3h7i h ASN 303 CO -0.47 0.01 0.00 -0.62 0.07 0.00 0.00 177.43 176.42 3h7i n GLU 304 N -3.19 0.34 0.00 4.14 1.02 0.50 -5.15 120.64 118.30 3h7i n GLU 304 Ca -0.03 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.21 3h7i n GLU 304 Cb 0.10 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.10 3h7i n GLU 304 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50