#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjj n ASP 27 N 0.00 1.90 0.00 1.45 8.00 -1.26 -4.95 116.55 121.70 1sjj n ASP 27 Ca 0.00 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1sjj n ASP 27 Cb 0.00 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 1sjj n ASP 27 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1sjj n PRO 28 N -4.50 0.00 -1.55 -0.24 -0.02 -1.26 -4.77 135.00 122.67 1sjj n PRO 28 Ca -0.14 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.97 1sjj n PRO 28 Cb 0.46 -0.27 -0.04 0.00 -0.02 0.00 0.00 33.50 33.63 1sjj n PRO 28 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sjj n ALA 29 N 0.00 0.80 -2.93 3.55 0.00 -1.26 -4.16 120.51 116.51 1sjj n ALA 29 Ca 0.00 -0.82 -0.45 0.00 0.00 0.00 0.00 53.44 52.17 1sjj n ALA 29 Cb 0.00 -3.09 -0.07 0.00 0.00 0.00 0.00 19.45 16.29 1sjj n ALA 29 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sjj s TRP 30 N 11.62 3.22 -0.32 0.00 0.52 -1.26 -4.97 118.94 127.75 1sjj s TRP 30 Ca 1.02 -0.95 0.00 0.00 0.02 0.00 0.00 56.10 56.20 1sjj s TRP 30 Cb -0.30 -3.31 0.00 0.00 -1.15 0.00 0.00 33.47 28.71 1sjj s TRP 30 CO 0.29 -0.86 0.12 0.39 0.02 0.00 0.00 176.95 176.92 1sjj n GLU 31 N 5.31 0.15 -0.01 4.98 1.02 -1.26 -1.56 120.64 129.28 1sjj n GLU 31 Ca -0.12 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.01 1sjj n GLU 31 Cb 0.43 -1.31 -0.01 0.00 -0.02 0.00 0.00 31.44 30.53 1sjj n GLU 31 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sjj n LYS 32 N 0.77 0.78 -0.04 3.49 4.76 -1.26 -4.73 118.16 121.92 1sjj n LYS 32 Ca 0.00 0.01 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1sjj n LYS 32 Cb 0.06 -1.03 -0.07 0.00 -1.84 0.00 0.00 35.03 32.15 1sjj n LYS 32 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1sjj h GLN 33 N 0.00 -0.04 -2.67 1.97 -0.00 -1.72 -3.40 115.11 109.25 1sjj h GLN 33 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1sjj h GLN 33 Cb 1.05 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.54 1sjj h GLN 33 CO -0.00 0.49 0.34 1.04 0.00 0.00 0.00 178.83 180.69 1sjj n GLN 34 N -4.73 0.01 0.00 1.69 6.02 -1.05 -1.27 117.38 118.06 1sjj n GLN 34 Ca -0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1sjj n GLN 34 Cb 0.27 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1sjj n GLN 34 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1sjj n ARG 35 N 2.68 0.00 0.21 -1.09 0.63 -1.26 -4.69 116.66 113.14 1sjj n ARG 35 Ca 0.00 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.76 1sjj n ARG 35 Cb 0.01 -0.50 -0.09 0.00 0.45 0.00 0.00 32.46 32.33 1sjj n ARG 35 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1sjj h LYS 36 N 0.00 -0.82 -0.93 -0.14 1.57 -1.44 -1.20 116.57 113.61 1sjj h LYS 36 Ca 0.00 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 58.95 1sjj h LYS 36 Cb 0.04 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 32.45 1sjj h LYS 36 CO 0.00 -0.55 0.56 1.79 -0.57 0.00 0.00 179.45 180.68 1sjj h THR 37 N -0.85 0.89 0.03 -0.16 1.35 -1.66 0.92 112.91 113.42 1sjj h THR 37 Ca -0.03 -0.30 -0.22 0.00 -0.55 0.00 0.00 66.41 65.31 1sjj h THR 37 Cb 0.79 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.13 1sjj h THR 37 CO -0.15 0.16 -0.98 -0.26 -0.25 0.00 0.00 175.52 174.04 1sjj h PHE 38 N 0.88 0.27 -0.05 4.73 -1.00 -1.76 0.28 116.94 120.30 1sjj h PHE 38 Ca 0.46 -0.17 -0.02 0.00 2.81 0.00 0.00 57.97 61.06 1sjj h PHE 38 Cb 0.48 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.01 1sjj h PHE 38 CO -0.03 1.04 -0.03 1.15 -1.61 0.00 0.00 178.31 178.83 1sjj h THR 39 N 0.08 1.34 -0.86 -1.55 2.02 -1.12 -0.14 112.91 112.67 1sjj h THR 39 Ca -0.06 -1.08 0.08 0.00 0.77 0.00 0.00 66.41 66.13 1sjj h THR 39 Cb 1.65 1.96 -0.07 0.00 -1.74 0.00 0.00 68.15 69.96 1sjj h THR 39 CO 0.15 0.29 0.52 0.00 0.37 0.00 0.00 175.52 176.85 1sjj h ALA 40 N 0.59 1.21 -0.62 6.16 0.00 -0.81 -1.43 119.26 124.37 1sjj h ALA 40 Ca 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1sjj h ALA 40 Cb 0.48 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1sjj h ALA 40 CO 0.01 0.22 0.12 2.35 0.00 0.00 0.00 179.25 181.94 1sjj h TRP 41 N 0.92 1.04 -0.30 0.00 7.01 -0.34 0.14 115.95 124.42 1sjj h TRP 41 Ca 0.39 -0.12 -0.08 0.00 2.11 0.00 0.00 58.89 61.19 1sjj h TRP 41 Cb 0.26 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1sjj h TRP 41 CO -0.04 0.87 -0.13 0.00 -2.79 0.00 0.00 178.44 176.35 1sjj h ASN 43 N 0.48 0.41 -0.68 0.00 2.35 -1.14 -3.20 115.58 113.81 1sjj h ASN 43 Ca 0.09 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.48 1sjj h ASN 43 Cb 0.52 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1sjj h ASN 43 CO 0.03 1.11 0.27 0.77 -1.65 0.00 0.00 177.43 177.96 1sjj h SER 44 N 0.19 0.94 0.34 5.81 4.64 -0.69 -2.89 113.55 121.89 1sjj h SER 44 Ca -0.06 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 60.95 1sjj h SER 44 Cb 1.50 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1sjj h SER 44 CO 0.14 0.85 -0.57 -0.74 -0.87 0.00 0.00 176.83 175.65 1sjj h HIS 45 N 0.97 0.29 -0.21 4.77 -0.00 -1.65 -3.34 115.15 115.99 1sjj h HIS 45 Ca 0.23 -0.11 0.03 0.00 -0.00 0.00 0.00 60.37 60.53 1sjj h HIS 45 Cb 0.21 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.53 1sjj h HIS 45 CO 0.01 0.74 0.00 1.25 -0.00 0.00 0.00 177.93 179.94 1sjj h LEU 46 N 0.18 -0.07 0.00 0.26 5.85 -1.50 -2.86 115.31 117.17 1sjj h LEU 46 Ca -0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1sjj h LEU 46 Cb 1.05 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1sjj h LEU 46 CO 0.09 -0.01 0.00 0.54 -0.34 0.00 0.00 178.44 178.72 1sjj n ARG 47 N -5.13 0.02 -0.08 1.25 1.74 -1.21 -0.48 116.66 112.77 1sjj n ARG 47 Ca -0.02 0.30 -0.15 0.00 -0.77 0.00 0.00 57.85 57.21 1sjj n ARG 47 Cb 0.11 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 1sjj n ARG 47 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1sjj h LYS 48 N 0.00 0.00 -0.09 5.56 1.57 -1.72 -3.40 116.57 118.48 1sjj h LYS 48 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1sjj h LYS 48 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1sjj h LYS 48 CO 0.00 0.79 -0.05 0.00 -0.57 0.00 0.00 179.45 179.62 1sjj h ALA 49 N -0.45 0.13 -2.11 3.86 0.00 -1.46 -3.46 119.26 115.78 1sjj h ALA 49 Ca -0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1sjj h ALA 49 Cb 0.99 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.54 1sjj h ALA 49 CO -0.10 -0.10 0.08 0.20 0.00 0.00 0.00 179.25 179.33 1sjj s GLY 50 N -3.18 -0.51 -0.16 0.00 0.00 0.37 -5.07 107.32 98.78 1sjj s GLY 50 Ca -0.15 1.84 -0.00 0.00 0.00 0.00 0.00 44.72 46.41 1sjj s GLY 50 CO 0.71 1.57 1.83 -1.30 0.00 0.00 0.00 173.10 175.92 1sjj n THR 51 N 2.56 2.22 -2.36 0.90 -2.24 -1.26 -3.28 114.28 110.83 1sjj n THR 51 Ca -0.14 -0.98 -0.24 0.00 -2.27 0.00 0.00 64.05 60.42 1sjj n THR 51 Cb 0.55 -1.29 0.08 0.00 -2.10 0.00 0.00 70.33 67.57 1sjj n THR 51 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1sjj s GLN 52 N -0.95 2.07 -0.06 -0.78 -0.44 -1.26 -4.99 119.66 113.26 1sjj s GLN 52 Ca 0.16 -0.55 -0.06 0.00 -2.50 0.00 0.00 55.36 52.41 1sjj s GLN 52 Cb 0.13 -2.25 0.02 0.00 -1.64 0.00 0.00 33.01 29.26 1sjj s GLN 52 CO 0.00 -1.23 0.17 0.96 0.50 0.00 0.00 175.29 175.69 1sjj s ILE 53 N -3.16 0.01 0.32 -2.34 -0.00 -1.26 -4.58 121.20 110.19 1sjj s ILE 53 Ca 0.62 -0.07 0.03 0.00 -0.00 0.00 0.00 60.65 61.23 1sjj s ILE 53 Cb -0.09 -0.26 -0.04 0.00 -0.00 0.00 0.00 42.46 42.06 1sjj s ILE 53 CO 0.44 -0.04 0.13 -1.61 -0.00 0.00 0.00 174.94 173.86 1sjj s GLU 54 N -0.06 1.62 0.51 0.37 2.02 -1.26 -5.19 118.70 116.71 1sjj s GLU 54 Ca -0.01 -1.93 0.01 0.00 0.02 0.00 0.00 54.97 53.06 1sjj s GLU 54 Cb -0.02 -0.29 -0.01 0.00 0.10 0.00 0.00 34.13 33.92 1sjj s GLU 54 CO 0.00 -0.40 0.03 -0.80 0.02 0.00 0.00 175.26 174.11 1sjj s ASN 55 N -3.41 3.94 -0.35 -0.19 -0.87 -1.26 -4.84 114.94 107.96 1sjj s ASN 55 Ca 0.34 -1.70 0.02 0.00 -1.57 0.00 0.00 52.86 49.95 1sjj s ASN 55 Cb 0.05 0.64 0.11 0.00 -0.02 0.00 0.00 41.25 42.03 1sjj s ASN 55 CO 0.16 -0.92 0.10 -0.63 -2.57 0.00 0.00 177.10 173.24 1sjj s ILE 56 N -2.95 1.63 0.00 0.60 1.01 -1.26 -4.90 121.20 115.33 1sjj s ILE 56 Ca 0.05 -2.03 0.00 0.00 0.00 0.00 0.00 60.65 58.68 1sjj s ILE 56 Cb 0.01 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1sjj s ILE 56 CO 0.03 -0.67 0.00 -0.62 0.00 0.00 0.00 174.94 173.68 1sjj n GLU 57 N 4.37 0.00 0.00 2.79 -0.58 -1.26 -5.06 120.64 120.90 1sjj n GLU 57 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1sjj n GLU 57 Cb 0.41 -0.69 0.00 0.00 -0.57 0.00 0.00 31.44 30.59 1sjj n GLU 57 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1sjj n GLU 58 N -2.06 0.00 0.00 3.49 2.13 -1.26 -4.88 120.64 118.05 1sjj n GLU 58 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1sjj n GLU 58 Cb 0.24 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.95 1sjj n GLU 58 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1sjj n ASP 59 N 0.00 0.00 -0.07 4.31 8.00 -1.26 -2.34 116.55 125.19 1sjj n ASP 59 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1sjj n ASP 59 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 1sjj n ASP 59 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1sjj n PHE 60 N 0.00 0.50 -0.30 1.24 3.72 -1.26 -3.62 117.46 117.74 1sjj n PHE 60 Ca 0.00 0.14 0.07 0.00 -0.05 0.00 0.00 57.45 57.61 1sjj n PHE 60 Cb 0.00 -1.08 0.22 0.00 -0.94 0.00 0.00 39.48 37.68 1sjj n PHE 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sjj h ARG 61 N 0.02 0.67 -0.15 -1.08 3.08 -1.57 -1.36 114.38 113.99 1sjj h ARG 61 Ca -0.47 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.38 1sjj h ARG 61 Cb 2.05 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.96 1sjj h ARG 61 CO 0.02 0.44 -0.54 0.38 -1.07 0.00 0.00 179.97 179.21 1sjj h ASP 62 N 0.69 0.73 0.00 7.04 3.04 -1.80 -3.39 116.42 122.72 1sjj h ASP 62 Ca 0.46 -0.61 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 1sjj h ASP 62 Cb 0.60 -0.21 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 1sjj h ASP 62 CO -0.33 1.21 0.00 0.61 -2.04 0.00 0.00 179.24 178.69 1sjj n GLY 63 N 0.61 0.80 0.10 7.15 0.00 -0.51 -4.50 105.19 108.85 1sjj n GLY 63 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 1sjj n GLY 63 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sjj h LEU 64 N 0.00 0.15 -0.68 0.99 4.07 -1.84 -0.93 115.31 117.07 1sjj h LEU 64 Ca 0.00 -0.14 -0.10 0.00 0.08 0.00 0.00 57.88 57.73 1sjj h LEU 64 Cb 0.00 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 1sjj h LEU 64 CO 0.00 1.00 -0.03 0.11 -1.08 0.00 0.00 178.44 178.43 1sjj h LYS 65 N 0.05 0.99 -0.38 1.13 1.79 -1.89 -0.27 116.57 118.00 1sjj h LYS 65 Ca -0.04 -0.32 -0.09 0.00 -2.18 0.00 0.00 60.65 58.02 1sjj h LYS 65 Cb 1.60 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 32.14 1sjj h LYS 65 CO 0.13 1.00 -0.13 -0.07 -1.08 0.00 0.00 179.45 179.30 1sjj h LEU 66 N 0.90 0.67 -0.36 2.94 3.38 -1.75 -0.20 115.31 120.89 1sjj h LEU 66 Ca 0.16 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1sjj h LEU 66 Cb 0.57 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1sjj h LEU 66 CO 0.03 0.82 0.05 0.24 0.09 0.00 0.00 178.44 179.68 1sjj h MET 67 N 0.61 0.60 -0.47 1.13 2.86 -0.86 -1.38 114.93 117.42 1sjj h MET 67 Ca 0.10 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 1sjj h MET 67 Cb 0.58 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1sjj h MET 67 CO 0.04 0.67 -0.03 -0.07 1.06 0.00 0.00 176.91 178.59 1sjj h LEU 68 N 0.44 0.84 -0.54 1.22 4.07 -0.92 -1.97 115.31 118.46 1sjj h LEU 68 Ca 0.11 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1sjj h LEU 68 Cb 0.37 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1sjj h LEU 68 CO 0.01 0.96 0.00 -0.11 -1.08 0.00 0.00 178.44 178.22 1sjj n LEU 69 N -4.33 0.35 0.00 1.67 7.94 -0.10 -1.22 117.00 121.32 1sjj n LEU 69 Ca 0.00 0.61 -0.13 0.00 -1.11 0.00 0.00 56.01 55.39 1sjj n LEU 69 Cb 0.33 -0.59 -0.14 0.00 0.53 0.00 0.00 43.42 43.54 1sjj n LEU 69 CO 0.42 -0.54 -0.51 0.25 -1.11 0.00 0.00 177.39 175.90 1sjj h LEU 70 N 0.00 0.15 0.46 -1.96 6.46 -0.88 -3.34 115.31 116.20 1sjj h LEU 70 Ca 0.00 -0.30 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 1sjj h LEU 70 Cb 0.20 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1sjj h LEU 70 CO 0.00 1.26 -0.22 -0.33 -0.62 0.00 0.00 178.44 178.53 1sjj h GLU 71 N 0.03 -0.59 0.00 1.25 5.08 -0.44 -3.31 114.58 116.59 1sjj h GLU 71 Ca -0.29 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1sjj h GLU 71 Cb 2.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.38 1sjj h GLU 71 CO 0.10 -0.29 0.00 1.33 -1.00 0.00 0.00 179.01 179.15 1sjj n VAL 72 N -5.26 0.99 0.32 3.13 0.24 -0.36 0.31 118.33 117.70 1sjj n VAL 72 Ca -0.11 0.26 0.08 0.00 -2.04 0.00 0.00 64.34 62.53 1sjj n VAL 72 Cb 0.30 -1.06 0.23 0.00 -1.47 0.00 0.00 33.84 31.84 1sjj n VAL 72 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1sjj n ILE 73 N -1.68 0.71 -0.20 1.34 -5.35 -1.25 -4.62 119.36 108.30 1sjj n ILE 73 Ca 0.03 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 1sjj n ILE 73 Cb 0.18 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1sjj n ILE 73 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1sjj n SER 74 N 1.04 0.00 0.00 7.28 3.41 -0.27 -4.95 113.62 120.14 1sjj n SER 74 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1sjj n SER 74 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1sjj n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sjj n GLY 75 N 0.00 0.73 3.77 5.00 0.00 0.15 -5.08 105.19 109.75 1sjj n GLY 75 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1sjj n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sjj s GLU 76 N -0.81 4.54 -0.32 1.61 0.41 -1.22 -5.02 118.70 117.89 1sjj s GLU 76 Ca 0.00 1.12 -0.05 0.00 -0.41 0.00 0.00 54.97 55.64 1sjj s GLU 76 Cb 0.00 -3.30 0.04 0.00 -1.78 0.00 0.00 34.13 29.09 1sjj s GLU 76 CO 0.00 0.46 0.06 0.50 -0.49 0.00 0.00 175.26 175.79 1sjj s ARG 77 N -0.73 2.63 -0.90 1.61 3.52 -1.26 -4.17 118.95 119.65 1sjj s ARG 77 Ca 0.37 -1.16 -0.01 0.00 -0.13 0.00 0.00 55.73 54.80 1sjj s ARG 77 Cb -0.22 -3.34 0.25 0.00 -1.56 0.00 0.00 34.95 30.09 1sjj s ARG 77 CO 0.25 -0.61 0.98 1.28 -0.81 0.00 0.00 175.30 176.39 1sjj n LEU 78 N 4.75 4.77 -4.58 -0.88 4.77 -1.26 -4.99 117.00 119.59 1sjj n LEU 78 Ca -0.13 -5.22 -0.41 0.00 -0.03 0.00 0.00 56.01 50.22 1sjj n LEU 78 Cb 0.45 -1.07 -0.03 0.00 -2.33 0.00 0.00 43.42 40.44 1sjj n LEU 78 CO 0.30 1.70 1.46 0.00 -1.33 0.00 0.00 177.39 179.52 1sjj s ALA 79 N -2.01 2.62 0.18 -1.18 0.00 -1.26 -4.98 121.76 115.12 1sjj s ALA 79 Ca 0.32 -0.34 -0.25 0.00 0.00 0.00 0.00 51.96 51.68 1sjj s ALA 79 Cb 0.01 -4.13 -0.08 0.00 0.00 0.00 0.00 23.12 18.92 1sjj s ALA 79 CO -0.04 -3.14 0.78 0.21 0.00 0.00 0.00 175.76 173.57 1sjj s LYS 80 N 6.05 4.55 -0.01 0.00 2.47 -1.26 -5.05 119.74 126.49 1sjj s LYS 80 Ca 0.67 1.15 -0.30 0.00 -1.56 0.00 0.00 55.97 55.93 1sjj s LYS 80 Cb -0.15 -3.22 -0.07 0.00 -1.46 0.00 0.00 37.83 32.92 1sjj s LYS 80 CO 0.27 0.55 1.85 -2.14 0.16 0.00 0.00 175.35 176.04 1sjj s PRO 81 N -1.23 4.11 0.00 4.03 0.02 -1.26 -4.81 135.00 135.86 1sjj s PRO 81 Ca 0.37 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.80 1sjj s PRO 81 Cb -0.23 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.19 1sjj s PRO 81 CO 0.26 -0.97 0.00 0.39 -0.33 0.00 0.00 177.00 176.35 1sjj n GLU 82 N 7.44 0.00 0.00 5.54 -0.58 -1.26 -5.05 120.64 126.73 1sjj n GLU 82 Ca 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1sjj n GLU 82 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 1sjj n GLU 82 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1sjj n ARG 83 N 1.91 0.00 -0.20 3.49 1.74 -1.26 -4.96 116.66 117.37 1sjj n ARG 83 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1sjj n ARG 83 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1sjj n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sjj n GLY 84 N -0.52 -2.92 0.31 -0.13 0.00 -1.26 -4.62 105.19 96.06 1sjj n GLY 84 Ca 0.00 -1.27 0.06 0.00 0.00 0.00 0.00 46.02 44.81 1sjj n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sjj n LYS 85 N -1.75 2.48 -2.63 1.61 4.81 -1.26 -4.77 118.16 116.64 1sjj n LYS 85 Ca -0.00 -2.16 -0.36 0.00 -0.87 0.00 0.00 58.31 54.91 1sjj n LYS 85 Cb 0.07 -1.35 -0.05 0.00 0.02 0.00 0.00 35.03 33.72 1sjj n LYS 85 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1sjj s MET 86 N -1.86 4.30 0.19 1.64 -1.94 -1.26 -4.95 119.30 115.42 1sjj s MET 86 Ca 0.21 1.44 -0.14 0.00 -1.71 0.00 0.00 55.69 55.49 1sjj s MET 86 Cb 0.17 -2.60 0.19 0.00 2.01 0.00 0.00 34.83 34.60 1sjj s MET 86 CO 0.06 -0.00 1.67 -0.09 -0.01 0.00 0.00 175.02 176.64 1sjj h ARG 87 N 2.68 0.07 -0.99 2.03 2.43 -2.00 -1.55 114.38 117.05 1sjj h ARG 87 Ca -0.48 -0.00 0.24 0.00 -0.81 0.00 0.00 59.98 58.93 1sjj h ARG 87 Cb 1.21 -0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.62 1sjj h ARG 87 CO 0.63 0.05 0.57 0.28 -1.51 0.00 0.00 179.97 179.99 1sjj h VAL 88 N 0.07 0.54 0.00 0.20 2.07 -1.99 0.31 116.25 117.45 1sjj h VAL 88 Ca 0.26 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1sjj h VAL 88 Cb 0.40 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1sjj h VAL 88 CO -0.47 0.10 -0.48 1.41 0.02 0.00 0.00 177.57 178.16 1sjj n HIS 89 N -4.90 0.35 -0.08 1.57 8.25 -0.60 -2.27 115.22 117.55 1sjj n HIS 89 Ca 0.26 0.10 -0.22 0.00 -0.26 0.00 0.00 57.72 57.61 1sjj n HIS 89 Cb 0.72 -0.53 -0.12 0.00 1.12 0.00 0.00 29.99 31.18 1sjj n HIS 89 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1sjj h LYS 90 N 0.00 0.07 -0.58 -0.41 1.79 -1.08 -3.38 116.57 112.98 1sjj h LYS 90 Ca 0.00 -0.11 0.11 0.00 -2.18 0.00 0.00 60.65 58.47 1sjj h LYS 90 Cb 0.64 0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 31.24 1sjj h LYS 90 CO 0.00 1.05 0.07 -0.84 -1.08 0.00 0.00 179.45 178.65 1sjj h ILE 91 N -0.75 0.60 -0.60 1.86 -0.00 -1.08 -1.14 117.51 116.40 1sjj h ILE 91 Ca -0.37 -0.07 0.23 0.00 -0.00 0.00 0.00 64.86 64.66 1sjj h ILE 91 Cb 1.48 0.39 -0.11 0.00 -0.00 0.00 0.00 36.82 38.58 1sjj h ILE 91 CO -0.14 0.03 0.25 -1.20 -0.00 0.00 0.00 178.15 177.10 1sjj n SER 92 N -5.19 0.15 -0.01 2.16 7.64 -0.96 0.33 113.62 117.74 1sjj n SER 92 Ca 0.08 0.99 0.10 0.00 1.01 0.00 0.00 58.87 61.06 1sjj n SER 92 Cb 0.32 -0.46 -0.15 0.00 -1.01 0.00 0.00 64.21 62.91 1sjj n SER 92 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1sjj n ASN 93 N -4.44 0.34 0.01 6.43 3.02 -0.46 -1.86 115.26 118.31 1sjj n ASN 93 Ca 0.21 -0.21 -0.18 0.00 -0.03 0.00 0.00 54.58 54.37 1sjj n ASN 93 Cb 0.70 1.76 -0.11 0.00 -0.61 0.00 0.00 39.78 41.53 1sjj n ASN 93 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1sjj h VAL 94 N 0.00 1.39 0.25 2.41 2.07 -0.94 -2.64 116.25 118.78 1sjj h VAL 94 Ca 0.00 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.40 1sjj h VAL 94 Cb 0.87 2.54 -0.04 0.00 -1.52 0.00 0.00 31.29 33.14 1sjj h VAL 94 CO 0.00 0.63 -0.45 0.78 0.02 0.00 0.00 177.57 178.56 1sjj h ASN 95 N 0.03 -1.28 0.56 0.57 4.21 -0.23 -0.27 115.58 119.17 1sjj h ASN 95 Ca -0.09 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.55 1sjj h ASN 95 Cb 1.42 0.46 0.00 0.00 -1.12 0.00 0.00 38.32 39.08 1sjj h ASN 95 CO 0.14 -0.54 0.00 0.50 -1.29 0.00 0.00 177.43 176.24 1sjj h LYS 96 N -0.77 0.00 -0.06 0.81 1.63 -1.53 -0.43 116.57 116.23 1sjj h LYS 96 Ca -0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1sjj h LYS 96 Cb 0.74 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1sjj h LYS 96 CO -0.18 0.00 -0.06 0.00 -3.45 0.00 0.00 179.45 175.76 1sjj h ALA 97 N 2.07 0.09 -0.61 5.00 0.00 -1.04 -3.31 119.26 121.46 1sjj h ALA 97 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.75 1sjj h ALA 97 Cb 0.28 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1sjj h ALA 97 CO 0.00 -0.11 0.11 -0.07 0.00 0.00 0.00 179.25 179.17 1sjj h LEU 98 N -0.29 -0.05 -0.12 0.00 3.38 0.67 -1.64 115.31 117.26 1sjj h LEU 98 Ca 0.01 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1sjj h LEU 98 Cb 0.56 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1sjj h LEU 98 CO 0.01 -0.02 0.05 0.44 0.09 0.00 0.00 178.44 179.01 1sjj h ASP 99 N 0.23 0.07 0.44 -0.43 3.32 -1.62 0.90 116.42 119.32 1sjj h ASP 99 Ca 0.32 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.21 1sjj h ASP 99 Cb 0.50 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1sjj h ASP 99 CO -0.44 0.06 -0.74 -0.26 -1.72 0.00 0.00 179.24 176.14 1sjj h PHE 100 N 0.11 0.34 -0.70 4.55 0.04 -1.61 -0.23 116.94 119.45 1sjj h PHE 100 Ca 0.05 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.62 1sjj h PHE 100 Cb 0.02 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 1sjj h PHE 100 CO -0.09 0.90 0.28 0.82 -0.60 0.00 0.00 178.31 179.62 1sjj h ILE 101 N 0.16 1.25 -0.40 -0.55 2.04 -1.19 -2.17 117.51 116.65 1sjj h ILE 101 Ca -0.03 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 1sjj h ILE 101 Cb 1.31 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1sjj h ILE 101 CO 0.12 0.31 -0.07 0.00 0.00 0.00 0.00 178.15 178.51 1sjj h ALA 102 N 1.13 0.54 0.00 1.87 0.00 -0.74 -1.58 119.26 120.48 1sjj h ALA 102 Ca 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sjj h ALA 102 Cb 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sjj h ALA 102 CO -0.02 0.38 0.00 0.43 0.00 0.00 0.00 179.25 180.05 1sjj n SER 103 N -4.37 0.00 -1.57 0.00 7.64 -0.10 -1.87 113.62 113.34 1sjj n SER 103 Ca -0.01 -0.54 -0.15 0.00 1.01 0.00 0.00 58.87 59.18 1sjj n SER 103 Cb 0.34 -0.01 0.10 0.00 -1.01 0.00 0.00 64.21 63.63 1sjj n SER 103 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sjj n LYS 104 N -1.01 2.74 -3.84 1.43 5.02 -0.83 -5.00 118.16 116.68 1sjj n LYS 104 Ca 0.13 -3.72 -0.29 0.00 -2.02 0.00 0.00 58.31 52.42 1sjj n LYS 104 Cb 0.07 -2.05 0.03 0.00 -0.02 0.00 0.00 35.03 33.06 1sjj n LYS 104 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sjj n GLY 105 N -0.90 -0.51 3.71 0.72 0.00 -0.78 -4.98 105.19 102.45 1sjj n GLY 105 Ca 0.38 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 46.20 1sjj n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjj s VAL 106 N -3.28 5.06 -1.03 1.61 1.01 -0.63 -4.95 120.40 118.19 1sjj s VAL 106 Ca 0.64 1.35 -0.21 0.00 0.00 0.00 0.00 61.98 63.76 1sjj s VAL 106 Cb -0.32 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 1sjj s VAL 106 CO 0.79 0.23 1.95 1.17 0.00 0.00 0.00 175.10 179.25 1sjj n LYS 107 N 3.99 1.90 0.00 2.72 4.81 -1.26 -4.61 118.16 125.70 1sjj n LYS 107 Ca -0.02 -2.26 0.04 0.00 -0.87 0.00 0.00 58.31 55.21 1sjj n LYS 107 Cb 0.51 -3.24 0.24 0.00 0.02 0.00 0.00 35.03 32.57 1sjj n LYS 107 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1sjj n LEU 108 N 9.11 0.00 -4.70 3.14 4.77 -1.26 -4.89 117.00 123.18 1sjj n LEU 108 Ca 0.49 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 56.05 1sjj n LEU 108 Cb 0.42 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1sjj n LEU 108 CO 0.90 0.00 1.45 -0.69 -1.33 0.00 0.00 177.39 177.72 1sjj s VAL 109 N -2.00 2.38 0.00 4.08 1.01 -1.26 -2.41 120.40 122.20 1sjj s VAL 109 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1sjj s VAL 109 Cb 0.06 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1sjj s VAL 109 CO 0.09 0.00 0.00 -1.20 0.00 0.00 0.00 175.10 174.00 1sjj n SER 110 N 5.22 -1.61 -4.32 3.32 7.64 -1.26 -5.09 113.62 117.53 1sjj n SER 110 Ca 0.17 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.79 1sjj n SER 110 Cb 0.37 -0.35 -0.13 0.00 -1.01 0.00 0.00 64.21 63.09 1sjj n SER 110 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1sjj s ILE 111 N -2.00 1.89 0.00 0.44 1.01 -1.01 -5.08 121.20 116.45 1sjj s ILE 111 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1sjj s ILE 111 Cb 0.00 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.78 1sjj s ILE 111 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1sjj n GLY 112 N 1.15 5.70 0.34 6.18 0.00 -1.26 -5.08 105.19 112.22 1sjj n GLY 112 Ca -0.19 -1.50 -0.19 0.00 0.00 0.00 0.00 46.02 44.14 1sjj n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjj n ALA 113 N -3.00 1.57 -0.29 4.61 0.00 -1.26 -4.22 120.51 117.92 1sjj n ALA 113 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 53.44 52.65 1sjj n ALA 113 Cb 0.00 0.19 0.21 0.00 0.00 0.00 0.00 19.45 19.85 1sjj n ALA 113 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1sjj h GLU 114 N -0.77 1.09 -0.65 0.00 9.09 -1.97 -0.46 114.58 120.91 1sjj h GLU 114 Ca -0.43 -0.07 0.16 0.00 0.05 0.00 0.00 59.36 59.08 1sjj h GLU 114 Cb 1.32 -0.24 -0.03 0.00 -1.65 0.00 0.00 28.75 28.14 1sjj h GLU 114 CO -0.26 0.72 0.45 0.93 0.05 0.00 0.00 179.01 180.90 1sjj h GLU 115 N 1.12 0.14 0.00 1.06 4.39 -1.95 0.16 114.58 119.50 1sjj h GLU 115 Ca 0.34 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 59.79 1sjj h GLU 115 Cb -0.01 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 1sjj h GLU 115 CO -0.10 0.10 -1.47 -0.89 -1.16 0.00 0.00 179.01 175.48 1sjj n ILE 116 N -4.40 1.52 0.30 3.13 2.08 -0.99 -0.41 119.36 120.58 1sjj n ILE 116 Ca 0.12 -0.08 -0.12 0.00 0.56 0.00 0.00 62.75 63.24 1sjj n ILE 116 Cb 0.62 -2.06 -0.06 0.00 -0.75 0.00 0.00 39.64 37.39 1sjj n ILE 116 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1sjj h VAL 117 N -1.00 0.00 0.00 1.39 2.07 -1.00 -3.27 116.25 114.44 1sjj h VAL 117 Ca -0.38 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1sjj h VAL 117 Cb 1.27 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1sjj h VAL 117 CO -0.23 0.00 -0.01 0.44 0.02 0.00 0.00 177.57 177.79 1sjj h ASP 118 N -1.01 0.00 -1.80 0.57 3.32 -1.14 -3.42 116.42 112.93 1sjj h ASP 118 Ca -0.08 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1sjj h ASP 118 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1sjj h ASP 118 CO 0.13 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.26 1sjj n GLY 119 N 1.23 -1.26 3.60 2.75 0.00 0.33 -5.00 105.19 106.84 1sjj n GLY 119 Ca 0.05 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1sjj n GLY 119 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sjj s ASN 120 N -0.19 6.68 0.00 1.61 3.84 0.45 -4.91 114.94 122.42 1sjj s ASN 120 Ca 0.00 0.55 0.16 0.00 0.21 0.00 0.00 52.86 53.78 1sjj s ASN 120 Cb 0.00 -2.52 0.70 0.00 -0.55 0.00 0.00 41.25 38.88 1sjj s ASN 120 CO 0.00 -1.08 1.52 0.55 -2.79 0.00 0.00 177.10 175.30 1sjj n VAL 121 N 6.44 0.87 0.04 -5.21 3.14 -1.26 -0.95 118.33 121.39 1sjj n VAL 121 Ca 0.10 0.22 -0.14 0.00 -2.96 0.00 0.00 64.34 61.56 1sjj n VAL 121 Cb 0.48 -0.94 -0.14 0.00 -1.06 0.00 0.00 33.84 32.19 1sjj n VAL 121 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1sjj h LYS 122 N 0.00 0.16 0.00 1.45 1.57 -1.93 -3.34 116.57 114.48 1sjj h LYS 122 Ca 0.00 -0.27 -0.25 0.00 -1.87 0.00 0.00 60.65 58.25 1sjj h LYS 122 Cb 0.28 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 1sjj h LYS 122 CO 0.00 0.97 -1.40 0.52 -0.57 0.00 0.00 179.45 178.97 1sjj h MET 123 N 0.04 0.00 0.24 3.15 2.86 -1.34 -0.96 114.93 118.92 1sjj h MET 123 Ca -0.23 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1sjj h MET 123 Cb 1.98 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.60 1sjj h MET 123 CO 0.13 0.69 -0.43 1.79 1.06 0.00 0.00 176.91 180.15 1sjj h THR 124 N 0.00 0.14 -0.91 2.22 1.35 -1.37 0.91 112.91 115.25 1sjj h THR 124 Ca -0.17 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 65.85 1sjj h THR 124 Cb 1.90 0.14 -0.10 0.00 -1.73 0.00 0.00 68.15 68.36 1sjj h THR 124 CO 0.10 0.00 0.50 -0.07 -0.25 0.00 0.00 175.52 175.79 1sjj h LEU 125 N -0.75 0.62 -0.55 3.87 3.38 -1.68 0.85 115.31 121.05 1sjj h LEU 125 Ca -0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1sjj h LEU 125 Cb 0.72 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1sjj h LEU 125 CO -0.18 0.24 0.25 1.23 0.09 0.00 0.00 178.44 180.07 1sjj h GLY 126 N 0.67 0.86 0.90 0.83 0.00 -0.80 -1.13 103.07 104.40 1sjj h GLY 126 Ca 0.50 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1sjj h GLY 126 CO -0.37 0.42 0.07 1.98 0.00 0.00 0.00 176.54 178.64 1sjj h MET 127 N 0.74 0.23 -0.79 4.80 1.85 -0.56 -2.83 114.93 118.37 1sjj h MET 127 Ca 0.19 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 59.21 1sjj h MET 127 Cb 0.15 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.11 1sjj h MET 127 CO -0.02 0.29 0.37 0.82 -0.40 0.00 0.00 176.91 177.96 1sjj h ILE 128 N 0.11 1.25 -0.22 1.77 1.08 -0.78 -0.44 117.51 120.28 1sjj h ILE 128 Ca 0.05 -0.72 -0.07 0.00 -0.39 0.00 0.00 64.86 63.73 1sjj h ILE 128 Cb 0.14 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 1sjj h ILE 128 CO -0.01 0.30 -0.16 -0.25 -0.69 0.00 0.00 178.15 177.35 1sjj h TRP 129 N 1.13 0.40 0.00 1.37 2.91 -1.26 0.33 115.95 120.84 1sjj h TRP 129 Ca 0.27 -0.06 -0.11 0.00 1.13 0.00 0.00 58.89 60.12 1sjj h TRP 129 Cb 0.13 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.66 1sjj h TRP 129 CO 0.01 0.53 -0.51 1.79 -1.03 0.00 0.00 178.44 179.23 1sjj h THR 130 N 0.35 1.13 -0.40 2.65 1.35 -1.21 0.12 112.91 116.90 1sjj h THR 130 Ca 0.06 -1.91 -0.13 0.00 -0.55 0.00 0.00 66.41 63.89 1sjj h THR 130 Cb 0.49 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 1sjj h THR 130 CO 0.03 0.50 -0.27 0.40 -0.25 0.00 0.00 175.52 175.94 1sjj h ILE 131 N 0.00 1.27 -0.54 6.82 2.04 -0.51 -2.94 117.51 123.65 1sjj h ILE 131 Ca -0.01 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.40 1sjj h ILE 131 Cb 1.06 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1sjj h ILE 131 CO 0.07 0.47 0.15 0.40 0.00 0.00 0.00 178.15 179.23 1sjj h ILE 132 N 0.72 1.24 -0.09 -0.67 2.04 -0.11 -3.27 117.51 117.36 1sjj h ILE 132 Ca 0.09 -0.84 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 1sjj h ILE 132 Cb 0.81 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1sjj h ILE 132 CO 0.07 0.31 -0.46 0.25 0.00 0.00 0.00 178.15 178.32 1sjj h LEU 133 N 0.76 0.23 -9.25 1.44 5.85 -0.82 -3.42 115.31 110.11 1sjj h LEU 133 Ca 0.17 -0.10 -0.57 0.00 0.84 0.00 0.00 57.88 58.21 1sjj h LEU 133 Cb 0.32 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 1sjj h LEU 133 CO -0.00 0.66 0.17 -0.60 -0.34 0.00 0.00 178.44 178.33 1sjj s ARG 134 N -4.04 4.34 0.00 1.25 3.00 -1.11 -5.05 118.95 117.34 1sjj s ARG 134 Ca -0.04 0.84 0.00 0.00 -1.00 0.00 0.00 55.73 55.53 1sjj s ARG 134 Cb 0.13 -3.51 0.00 0.00 0.00 0.00 0.00 34.95 31.57 1sjj s ARG 134 CO 0.77 -0.12 0.00 1.19 0.00 0.00 0.00 175.30 177.15 1sjj n PHE 135 N 4.50 -0.40 -2.76 5.12 3.72 -1.26 -4.94 117.46 121.43 1sjj n PHE 135 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1sjj n PHE 135 Cb 0.50 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.10 1sjj n PHE 135 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sjj n ALA 136 N -3.00 2.15 -3.60 4.37 0.00 -1.26 -5.04 120.51 114.14 1sjj n ALA 136 Ca 0.00 -2.47 -0.21 0.00 0.00 0.00 0.00 53.44 50.76 1sjj n ALA 136 Cb 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 19.45 18.31 1sjj n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sjj s ILE 137 N -1.71 0.67 0.06 0.00 1.01 -1.26 -4.79 121.20 115.18 1sjj s ILE 137 Ca 0.27 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.56 1sjj s ILE 137 Cb 0.41 -0.67 -0.19 0.00 0.01 0.00 0.00 42.46 42.02 1sjj s ILE 137 CO -0.03 0.26 1.22 1.56 0.00 0.00 0.00 174.94 177.95 1sjj h GLN 138 N 7.19 0.60 0.00 2.79 1.08 -1.96 -3.24 115.11 121.57 1sjj h GLN 138 Ca -0.36 -0.54 0.00 0.00 -1.45 0.00 0.00 58.65 56.31 1sjj h GLN 138 Cb 1.16 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1sjj h GLN 138 CO 0.46 1.16 0.00 -0.25 -0.95 0.00 0.00 178.83 179.25 1sjj n ASP 139 N -4.10 0.00 -0.02 1.46 8.00 -1.26 -1.24 116.55 119.39 1sjj n ASP 139 Ca -0.09 0.34 -0.21 0.00 0.71 0.00 0.00 54.79 55.55 1sjj n ASP 139 Cb 0.69 -0.43 -0.13 0.00 -0.02 0.00 0.00 41.12 41.23 1sjj n ASP 139 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1sjj h ILE 140 N 0.00 1.13 0.00 0.53 2.04 -2.01 -3.37 117.51 115.83 1sjj h ILE 140 Ca 0.00 -2.37 -0.01 0.00 1.00 0.00 0.00 64.86 63.48 1sjj h ILE 140 Cb 0.26 2.75 -0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1sjj h ILE 140 CO 0.00 0.63 -0.06 0.77 0.00 0.00 0.00 178.15 179.49 1sjj h SER 141 N -0.49 0.00 -0.26 1.72 4.64 -1.36 -3.04 113.55 114.76 1sjj h SER 141 Ca -0.26 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.13 1sjj h SER 141 Cb 1.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.68 1sjj h SER 141 CO 0.02 0.06 0.25 0.58 -0.87 0.00 0.00 176.83 176.87 1sjj h VAL 142 N 0.00 0.53 -0.00 0.95 2.07 -1.34 0.00 116.25 118.46 1sjj h VAL 142 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sjj h VAL 142 Cb 0.50 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1sjj h VAL 142 CO 0.01 0.00 -0.15 -0.62 0.02 0.00 0.00 177.57 176.82 1sjj n GLU 143 N -3.93 0.43 -3.44 1.57 1.02 -1.15 -4.92 120.64 110.22 1sjj n GLU 143 Ca 0.03 -0.14 -0.37 0.00 -0.02 0.00 0.00 57.16 56.66 1sjj n GLU 143 Cb 0.40 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.26 1sjj n GLU 143 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1sjj s GLU 144 N -2.67 4.19 -0.08 3.49 2.12 -0.02 -1.03 118.70 124.70 1sjj s GLU 144 Ca 0.23 0.32 -0.21 0.00 0.36 0.00 0.00 54.97 55.67 1sjj s GLU 144 Cb 0.19 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1sjj s GLU 144 CO 0.52 0.33 0.59 0.95 -0.54 0.00 0.00 175.26 177.12 1sjj s THR 145 N 0.10 5.08 -0.17 -1.70 -4.23 -1.26 -4.94 115.64 108.51 1sjj s THR 145 Ca 0.22 1.21 -0.03 0.00 -1.18 0.00 0.00 61.69 61.91 1sjj s THR 145 Cb -0.15 -3.93 0.05 0.00 1.34 0.00 0.00 72.50 69.82 1sjj s THR 145 CO 0.09 0.31 0.03 -0.94 -0.54 0.00 0.00 174.62 173.57 1sjj s SER 146 N 0.55 2.69 0.54 3.99 1.04 -1.12 -5.11 113.70 116.28 1sjj s SER 146 Ca 0.32 -0.70 0.46 0.00 0.48 0.00 0.00 55.95 56.50 1sjj s SER 146 Cb -0.17 -0.56 1.68 0.00 0.10 0.00 0.00 66.02 67.07 1sjj s SER 146 CO 0.15 -0.29 1.60 0.00 0.98 0.00 0.00 173.24 175.68 1sjj h ALA 147 N 8.26 3.61 -0.99 5.32 0.00 -1.44 -1.99 119.26 132.04 1sjj h ALA 147 Ca -0.17 -0.03 0.37 0.00 0.00 0.00 0.00 54.91 55.08 1sjj h ALA 147 Cb 1.12 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 1sjj h ALA 147 CO 0.32 -2.18 0.59 1.17 0.00 0.00 0.00 179.25 179.16 1sjj n LYS 148 N -4.10 -0.04 0.34 0.00 4.81 -1.26 -0.33 118.16 117.57 1sjj n LYS 148 Ca 0.42 1.08 -0.14 0.00 -0.87 0.00 0.00 58.31 58.80 1sjj n LYS 148 Cb 1.86 -2.04 -0.07 0.00 0.02 0.00 0.00 35.03 34.80 1sjj n LYS 148 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1sjj h GLU 149 N 0.00 -0.86 -0.48 1.64 4.39 -1.75 0.11 114.58 117.62 1sjj h GLU 149 Ca 0.71 0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.47 1sjj h GLU 149 Cb 2.11 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 30.93 1sjj h GLU 149 CO -0.51 -0.57 0.29 0.78 -1.16 0.00 0.00 179.01 177.84 1sjj h GLY 150 N -0.90 0.69 0.69 -3.84 0.00 -1.31 0.41 103.07 98.83 1sjj h GLY 150 Ca -0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1sjj h GLY 150 CO 0.12 0.27 -0.46 -2.00 0.00 0.00 0.00 176.54 174.47 1sjj h LEU 151 N 0.66 -1.17 -1.12 3.11 5.85 -0.75 -2.40 115.31 119.50 1sjj h LEU 151 Ca 0.17 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1sjj h LEU 151 Cb -0.02 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1sjj h LEU 151 CO -0.03 -0.68 -0.43 0.25 -0.34 0.00 0.00 178.44 177.20 1sjj h LEU 152 N -1.09 0.00 -1.35 2.25 6.46 -0.16 -1.66 115.31 119.78 1sjj h LEU 152 Ca -0.09 0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.76 1sjj h LEU 152 Cb 0.88 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.75 1sjj h LEU 152 CO 0.07 0.43 0.52 -0.07 -0.62 0.00 0.00 178.44 178.78 1sjj h LEU 153 N 0.00 0.66 -1.97 2.25 4.07 -1.01 -1.17 115.31 118.15 1sjj h LEU 153 Ca -0.00 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 1sjj h LEU 153 Cb 0.79 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 1sjj h LEU 153 CO 0.06 0.39 -0.09 -0.25 -1.08 0.00 0.00 178.44 177.48 1sjj h TRP 154 N 0.73 0.00 0.00 1.13 7.01 -0.75 -3.10 115.95 120.97 1sjj h TRP 154 Ca 0.36 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.36 1sjj h TRP 154 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1sjj h TRP 154 CO -0.00 0.09 -0.16 1.88 -2.79 0.00 0.00 178.44 177.45 1sjj h TYR 155 N 0.00 0.00 0.30 2.65 0.05 -1.21 -3.41 116.97 115.35 1sjj h TYR 155 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1sjj h TYR 155 Cb 0.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1sjj h TYR 155 CO 0.00 0.00 -0.14 0.37 -1.05 0.00 0.00 178.16 177.34 1sjj h GLN 156 N -0.42 -0.38 -0.37 4.88 -0.00 -1.38 -1.49 115.11 115.95 1sjj h GLN 156 Ca 0.00 0.03 0.11 0.00 -0.00 0.00 0.00 58.65 58.78 1sjj h GLN 156 Cb 0.16 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 1sjj h GLN 156 CO 0.00 -0.25 0.47 -0.09 0.00 0.00 0.00 178.83 178.96 1sjj h ARG 157 N -0.54 0.00 0.04 1.69 2.43 -1.78 -0.12 114.38 116.10 1sjj h ARG 157 Ca -0.04 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.77 1sjj h ARG 157 Cb 0.30 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 1sjj h ARG 157 CO 0.07 0.00 -2.17 1.63 -1.51 0.00 0.00 179.97 177.99 1sjj n LYS 158 N -3.53 0.69 0.02 0.20 4.01 -1.23 -4.16 118.16 114.15 1sjj n LYS 158 Ca 0.06 0.18 0.12 0.00 -0.51 0.00 0.00 58.31 58.17 1sjj n LYS 158 Cb 0.63 -1.63 0.51 0.00 -0.51 0.00 0.00 35.03 34.03 1sjj n LYS 158 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1sjj n THR 159 N -3.19 0.36 0.02 -0.18 -2.24 -0.56 -4.45 114.28 104.03 1sjj n THR 159 Ca -0.34 0.05 0.22 0.00 -2.27 0.00 0.00 64.05 61.71 1sjj n THR 159 Cb 1.05 -0.67 0.71 0.00 -2.10 0.00 0.00 70.33 69.33 1sjj n THR 159 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sjj h ALA 160 N 2.79 2.30 0.00 6.98 0.00 -1.22 -0.47 119.26 129.64 1sjj h ALA 160 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sjj h ALA 160 Cb 0.45 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sjj h ALA 160 CO 0.00 -0.83 0.00 -1.35 0.00 0.00 0.00 179.25 177.07 1sjj h PRO 161 N 0.00 0.00 -4.52 0.00 0.11 -1.89 -3.41 132.00 122.29 1sjj h PRO 161 Ca 0.26 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.63 1sjj h PRO 161 Cb 1.35 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.25 1sjj h PRO 161 CO -0.00 0.00 0.52 0.71 -0.21 0.00 0.00 178.00 179.02 1sjj s TYR 162 N -3.50 3.39 -1.41 0.65 1.51 -0.19 -4.93 117.35 112.87 1sjj s TYR 162 Ca 0.01 -1.64 0.00 0.00 -1.01 0.00 0.00 57.07 54.43 1sjj s TYR 162 Cb 0.09 -4.09 0.00 0.00 -0.11 0.00 0.00 41.96 37.85 1sjj s TYR 162 CO 0.38 -1.28 0.54 1.63 -1.11 0.00 0.00 175.55 175.71 1sjj n LYS 163 N 5.47 0.77 -0.04 -0.62 5.02 -1.26 -2.91 118.16 124.58 1sjj n LYS 163 Ca 0.20 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.42 1sjj n LYS 163 Cb 0.48 -1.23 -0.14 0.00 -0.02 0.00 0.00 35.03 34.13 1sjj n LYS 163 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sjj n ASN 164 N -0.13 0.50 -4.40 4.39 3.02 -1.26 -5.05 115.26 112.32 1sjj n ASN 164 Ca 0.00 0.23 -0.32 0.00 -0.03 0.00 0.00 54.58 54.46 1sjj n ASN 164 Cb 0.11 0.50 -0.14 0.00 -0.61 0.00 0.00 39.78 39.64 1sjj n ASN 164 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1sjj s VAL 165 N -2.68 2.71 -0.16 2.41 1.01 -1.15 -5.13 120.40 117.42 1sjj s VAL 165 Ca -0.06 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1sjj s VAL 165 Cb 0.08 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1sjj s VAL 165 CO 0.83 0.58 -0.10 0.21 0.00 0.00 0.00 175.10 176.62 1sjj s ASN 166 N -0.51 4.17 -0.58 3.32 3.04 -1.26 -4.95 114.94 118.17 1sjj s ASN 166 Ca 0.07 -0.33 0.04 0.00 0.04 0.00 0.00 52.86 52.68 1sjj s ASN 166 Cb -0.11 -1.67 0.15 0.00 -1.54 0.00 0.00 41.25 38.08 1sjj s ASN 166 CO 0.01 0.11 0.38 -0.63 -3.04 0.00 0.00 177.10 173.93 1sjj s ILE 167 N 0.69 2.22 -0.13 -5.21 1.01 -1.26 -4.62 121.20 113.90 1sjj s ILE 167 Ca -0.05 -3.54 0.18 0.00 0.00 0.00 0.00 60.65 57.24 1sjj s ILE 167 Cb -0.15 -2.50 -0.22 0.00 0.01 0.00 0.00 42.46 39.60 1sjj s ILE 167 CO 0.02 -0.97 0.49 1.67 0.00 0.00 0.00 174.94 176.16 1sjj n GLN 168 N 2.62 0.65 -3.73 2.79 0.00 -1.26 -4.24 117.38 114.20 1sjj n GLN 168 Ca 0.16 0.05 -0.13 0.00 -0.00 0.00 0.00 57.00 57.07 1sjj n GLN 168 Cb 0.36 -1.64 -0.09 0.00 0.00 0.00 0.00 30.24 28.86 1sjj n GLN 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1sjj s ASN 169 N -5.38 -0.35 0.00 1.69 2.20 -1.26 -5.05 114.94 106.79 1sjj s ASN 169 Ca -0.06 0.56 0.00 0.00 -0.94 0.00 0.00 52.86 52.42 1sjj s ASN 169 Cb 0.09 0.63 0.00 0.00 -2.00 0.00 0.00 41.25 39.97 1sjj s ASN 169 CO 0.84 -0.26 0.08 0.49 -2.94 0.00 0.00 177.10 175.31 1sjj n PHE 170 N 2.26 0.00 0.00 1.54 3.72 -1.26 -3.30 117.46 120.42 1sjj n PHE 170 Ca -0.16 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 1sjj n PHE 170 Cb 0.57 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1sjj n PHE 170 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1sjj n HIS 171 N 1.67 0.00 0.20 1.38 1.44 -1.26 -3.12 115.22 115.52 1sjj n HIS 171 Ca 0.00 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.80 1sjj n HIS 171 Cb 0.02 0.00 0.23 0.00 0.12 0.00 0.00 29.99 30.36 1sjj n HIS 171 CO 0.00 0.00 0.00 -0.84 -2.81 0.00 0.00 176.34 172.69 1sjj h ILE 172 N 0.00 0.39 -0.01 0.61 -0.00 -1.85 -3.23 117.51 113.43 1sjj h ILE 172 Ca 0.00 -1.38 0.00 0.00 -0.00 0.00 0.00 64.86 63.48 1sjj h ILE 172 Cb 0.00 2.05 0.00 0.00 -0.00 0.00 0.00 36.82 38.87 1sjj h ILE 172 CO 0.00 0.21 0.00 -1.20 -0.00 0.00 0.00 178.15 177.16 1sjj n SER 173 N -3.20 0.27 -0.17 2.16 7.64 -1.21 -2.60 113.62 116.51 1sjj n SER 173 Ca 0.02 -2.00 0.09 0.00 1.01 0.00 0.00 58.87 57.99 1sjj n SER 173 Cb 0.56 -0.12 0.14 0.00 -1.01 0.00 0.00 64.21 63.78 1sjj n SER 173 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1sjj n TRP 174 N -0.37 0.12 1.78 1.43 7.02 -1.22 -4.34 117.44 121.87 1sjj n TRP 174 Ca 0.00 -0.93 0.15 0.00 -1.02 0.00 0.00 57.50 55.70 1sjj n TRP 174 Cb 0.06 -0.16 0.82 0.00 -2.42 0.00 0.00 31.31 29.62 1sjj n TRP 174 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1sjj n LYS 175 N -1.22 0.98 0.07 -0.99 4.81 -1.07 -2.88 118.16 117.86 1sjj n LYS 175 Ca 0.15 -0.16 0.12 0.00 -0.87 0.00 0.00 58.31 57.55 1sjj n LYS 175 Cb 0.63 -1.50 0.19 0.00 0.02 0.00 0.00 35.03 34.38 1sjj n LYS 175 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1sjj h ASP 176 N 0.40 0.00 0.00 3.14 3.04 -1.89 -3.47 116.42 117.64 1sjj h ASP 176 Ca 0.00 -0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.60 1sjj h ASP 176 Cb 0.15 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.44 1sjj h ASP 176 CO 0.00 0.09 0.00 0.61 -2.04 0.00 0.00 179.24 177.90 1sjj n GLY 177 N 1.33 1.61 0.29 7.15 0.00 -1.14 -4.75 105.19 109.68 1sjj n GLY 177 Ca 0.03 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1sjj n GLY 177 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sjj h LEU 178 N 0.00 0.10 -2.03 0.99 3.38 -1.91 -2.65 115.31 113.19 1sjj h LEU 178 Ca 0.00 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.24 1sjj h LEU 178 Cb 0.00 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1sjj h LEU 178 CO 0.00 -0.04 0.39 1.23 0.09 0.00 0.00 178.44 180.11 1sjj h GLY 179 N 0.30 0.00 0.27 0.83 0.00 -1.87 -0.27 103.07 102.33 1sjj h GLY 179 Ca 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 1sjj h GLY 179 CO -0.54 0.00 -0.00 0.74 0.00 0.00 0.00 176.54 176.74 1sjj h PHE 180 N 0.00 0.00 -0.37 5.60 0.04 -1.82 -3.17 116.94 117.23 1sjj h PHE 180 Ca 0.19 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1sjj h PHE 180 Cb 0.97 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.10 1sjj h PHE 180 CO 0.00 0.74 0.23 0.00 -0.60 0.00 0.00 178.31 178.68 1sjj h ALA 182 N 1.11 0.23 -0.32 0.00 0.00 -1.23 -2.11 119.26 116.96 1sjj h ALA 182 Ca 0.13 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.27 1sjj h ALA 182 Cb -0.03 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1sjj h ALA 182 CO -0.03 -0.49 0.04 1.25 0.00 0.00 0.00 179.25 180.03 1sjj h LEU 183 N -0.05 -0.03 -0.52 0.00 5.85 -1.49 -1.80 115.31 117.26 1sjj h LEU 183 Ca 0.22 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.84 1sjj h LEU 183 Cb 0.39 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1sjj h LEU 183 CO -0.50 0.02 -0.50 0.40 -0.34 0.00 0.00 178.44 177.52 1sjj h ILE 184 N 0.15 1.31 0.00 4.05 2.04 -1.33 -2.04 117.51 121.68 1sjj h ILE 184 Ca 0.15 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.29 1sjj h ILE 184 Cb 0.18 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1sjj h ILE 184 CO -0.21 0.54 0.00 -0.74 0.00 0.00 0.00 178.15 177.74 1sjj h HIS 185 N 0.49 0.00 -0.09 1.37 2.76 -1.22 -2.00 115.15 116.46 1sjj h HIS 185 Ca 0.02 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.10 1sjj h HIS 185 Cb 1.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1sjj h HIS 185 CO 0.05 0.00 -0.29 0.00 -1.30 0.00 0.00 177.93 176.39 1sjj h ARG 186 N 0.00 0.35 0.00 5.26 2.47 -0.56 -3.34 114.38 118.56 1sjj h ARG 186 Ca 0.00 -0.26 -0.41 0.00 -1.26 0.00 0.00 59.98 58.05 1sjj h ARG 186 Cb 0.17 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.48 1sjj h ARG 186 CO 0.00 0.88 -2.28 0.72 0.56 0.00 0.00 179.97 179.86 1sjj n HIS 187 N -4.44 0.25 -3.53 3.04 8.25 -1.11 -4.63 115.22 113.04 1sjj n HIS 187 Ca -0.08 0.10 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 1sjj n HIS 187 Cb 0.48 -1.03 -0.05 0.00 1.12 0.00 0.00 29.99 30.51 1sjj n HIS 187 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1sjj s ARG 188 N -2.48 3.31 0.34 -0.41 1.81 -0.77 -4.94 118.95 115.81 1sjj s ARG 188 Ca -0.36 -2.85 0.26 0.00 -1.72 0.00 0.00 55.73 51.07 1sjj s ARG 188 Cb 0.12 -4.11 0.89 0.00 -0.45 0.00 0.00 34.95 31.40 1sjj s ARG 188 CO 0.53 -1.24 1.77 -1.00 -0.68 0.00 0.00 175.30 174.68 1sjj h PRO 189 N 6.86 0.00 0.00 3.54 0.13 -1.75 -3.07 132.00 137.72 1sjj h PRO 189 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1sjj h PRO 189 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1sjj h PRO 189 CO 0.81 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.73 1sjj n GLU 190 N -2.60 0.09 0.07 0.86 0.00 -1.26 -3.96 120.64 113.84 1sjj n GLU 190 Ca 0.03 0.16 -0.11 0.00 0.00 0.00 0.00 57.16 57.24 1sjj n GLU 190 Cb 0.37 -1.63 -0.01 0.00 0.00 0.00 0.00 31.44 30.17 1sjj n GLU 190 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1sjj h LEU 191 N 0.00 0.45 0.00 -1.84 3.38 -1.88 -3.49 115.31 111.93 1sjj h LEU 191 Ca 0.00 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.64 1sjj h LEU 191 Cb 0.50 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1sjj h LEU 191 CO 0.00 1.11 0.21 0.00 0.09 0.00 0.00 178.44 179.85 1sjj n ILE 192 N -3.76 0.00 -4.02 1.22 0.13 -1.25 -5.10 119.36 106.58 1sjj n ILE 192 Ca -0.05 -0.54 -0.30 0.00 -1.10 0.00 0.00 62.75 60.75 1sjj n ILE 192 Cb 0.78 0.57 -0.16 0.00 -0.84 0.00 0.00 39.64 39.98 1sjj n ILE 192 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1sjj s ASP 193 N -2.30 2.71 0.00 9.51 2.15 -1.26 -4.98 116.67 122.50 1sjj s ASP 193 Ca 0.10 -0.50 0.23 0.00 0.43 0.00 0.00 52.55 52.81 1sjj s ASP 193 Cb -0.03 -1.18 0.92 0.00 -0.30 0.00 0.00 42.92 42.33 1sjj s ASP 193 CO 0.06 -0.06 1.64 0.00 -0.17 0.00 0.00 175.17 176.65 1sjj n TYR 194 N 4.77 0.13 0.06 -5.34 9.36 -1.26 -1.87 117.16 123.01 1sjj n TYR 194 Ca -0.17 -0.06 -0.12 0.00 3.32 0.00 0.00 57.90 60.87 1sjj n TYR 194 Cb 0.50 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 39.08 1sjj n TYR 194 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1sjj h GLY 195 N 5.03 0.14 0.20 2.98 0.00 -2.01 -3.22 103.07 106.19 1sjj h GLY 195 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1sjj h GLY 195 CO 0.00 0.31 -0.09 0.50 0.00 0.00 0.00 176.54 177.26 1sjj h LYS 196 N 0.03 -0.25 0.00 4.80 1.57 -1.95 -3.42 116.57 117.35 1sjj h LYS 196 Ca -0.13 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1sjj h LYS 196 Cb 1.90 0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.27 1sjj h LYS 196 CO 0.15 -0.17 0.00 -0.07 -0.57 0.00 0.00 179.45 178.79 1sjj h LEU 197 N -0.60 0.00 -1.94 2.94 3.38 -1.52 0.90 115.31 118.47 1sjj h LEU 197 Ca -0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1sjj h LEU 197 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1sjj h LEU 197 CO 0.04 0.00 0.13 -0.09 0.09 0.00 0.00 178.44 178.62 1sjj h ARG 198 N 0.00 0.07 -0.81 1.13 2.43 -1.80 -2.88 114.38 112.52 1sjj h ARG 198 Ca 0.00 -0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.64 1sjj h ARG 198 Cb 0.22 -0.02 -0.43 0.00 -0.42 0.00 0.00 29.97 29.33 1sjj h ARG 198 CO 0.00 0.05 -0.84 1.17 -1.51 0.00 0.00 179.97 178.84 1sjj n LYS 199 N -4.49 3.40 -3.38 0.20 0.00 0.30 -4.85 118.16 109.33 1sjj n LYS 199 Ca 0.01 -4.14 -0.45 0.00 0.00 0.00 0.00 58.31 53.74 1sjj n LYS 199 Cb 0.22 -2.20 -0.07 0.00 0.00 0.00 0.00 35.03 32.97 1sjj n LYS 199 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1sjj s ASP 200 N -3.61 6.14 0.02 3.14 1.11 -1.09 -5.04 116.67 117.36 1sjj s ASP 200 Ca 0.48 -1.41 -0.23 0.00 0.18 0.00 0.00 52.55 51.57 1sjj s ASP 200 Cb 0.40 -2.18 -0.13 0.00 1.07 0.00 0.00 42.92 42.08 1sjj s ASP 200 CO 0.01 -0.68 1.19 0.44 1.18 0.00 0.00 175.17 177.30 1sjj h ASP 201 N 8.77 -0.69 -1.35 0.27 3.32 -1.89 -3.43 116.42 121.41 1sjj h ASP 201 Ca -0.29 0.02 -0.38 0.00 0.02 0.00 0.00 57.03 56.41 1sjj h ASP 201 Cb 1.11 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 1sjj h ASP 201 CO 0.90 -0.44 1.05 -2.16 -1.72 0.00 0.00 179.24 176.88 1sjj s PRO 202 N -4.54 2.42 0.15 3.56 0.04 -1.26 -4.86 135.00 130.51 1sjj s PRO 202 Ca -0.12 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.04 1sjj s PRO 202 Cb 0.01 -4.68 -0.07 0.00 0.04 0.00 0.00 34.50 29.80 1sjj s PRO 202 CO 0.36 -3.20 1.51 -0.07 0.04 0.00 0.00 177.00 175.64 1sjj h LEU 203 N 17.99 -2.02 -0.25 -3.56 4.07 -1.85 -2.48 115.31 127.21 1sjj h LEU 203 Ca -0.11 0.30 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1sjj h LEU 203 Cb 1.11 0.89 0.00 0.00 1.08 0.00 0.00 40.66 43.74 1sjj h LEU 203 CO 1.19 -0.24 0.00 0.71 -1.08 0.00 0.00 178.44 179.02 1sjj h THR 204 N -0.05 0.00 -0.01 0.22 1.35 -1.89 -3.00 112.91 109.53 1sjj h THR 204 Ca 0.14 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1sjj h THR 204 Cb 0.41 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1sjj h THR 204 CO -0.85 0.00 -0.21 0.59 -0.25 0.00 0.00 175.52 174.80 1sjj n ASN 205 N -2.31 0.89 -1.47 5.36 5.03 -0.94 -4.05 115.26 117.77 1sjj n ASN 205 Ca 0.04 -0.82 0.00 0.00 0.87 0.00 0.00 54.58 54.68 1sjj n ASN 205 Cb 0.37 0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.21 1sjj n ASN 205 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1sjj n LEU 206 N -0.71 2.13 0.21 3.41 4.77 -1.14 -4.22 117.00 121.45 1sjj n LEU 206 Ca 0.13 -0.99 0.18 0.00 -0.03 0.00 0.00 56.01 55.30 1sjj n LEU 206 Cb 0.33 -0.42 0.84 0.00 -2.33 0.00 0.00 43.42 41.84 1sjj n LEU 206 CO 0.25 0.39 1.16 0.78 -1.33 0.00 0.00 177.39 178.64 1sjj h ASN 207 N 1.97 0.00 -0.46 -1.43 2.35 -1.85 -2.41 115.58 113.75 1sjj h ASN 207 Ca 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.90 1sjj h ASN 207 Cb 0.48 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.76 1sjj h ASN 207 CO 0.00 0.00 0.10 0.35 -1.65 0.00 0.00 177.43 176.23 1sjj n THR 208 N -3.57 -0.19 -0.02 2.81 -2.24 -1.26 0.39 114.28 110.20 1sjj n THR 208 Ca 0.02 0.98 -0.13 0.00 -2.27 0.00 0.00 64.05 62.64 1sjj n THR 208 Cb 0.38 -1.48 -0.09 0.00 -2.10 0.00 0.00 70.33 67.04 1sjj n THR 208 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sjj h ALA 209 N 0.91 0.06 0.00 6.98 0.00 -1.82 0.68 119.26 126.06 1sjj h ALA 209 Ca 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sjj h ALA 209 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1sjj h ALA 209 CO -0.40 -0.16 0.00 1.19 0.00 0.00 0.00 179.25 179.88 1sjj n PHE 210 N -4.77 0.36 -0.02 0.00 3.72 -0.22 -1.12 117.46 115.41 1sjj n PHE 210 Ca -0.08 0.14 -0.19 0.00 -0.05 0.00 0.00 57.45 57.26 1sjj n PHE 210 Cb 0.28 -0.72 -0.14 0.00 -0.94 0.00 0.00 39.48 37.96 1sjj n PHE 210 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1sjj n ASP 211 N -1.83 1.95 0.07 4.37 2.03 0.16 -3.35 116.55 119.96 1sjj n ASP 211 Ca 0.03 0.16 -0.02 0.00 0.52 0.00 0.00 54.79 55.48 1sjj n ASP 211 Cb 0.21 -0.68 0.23 0.00 -0.72 0.00 0.00 41.12 40.16 1sjj n ASP 211 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1sjj h VAL 212 N 0.05 1.28 -0.09 5.18 -1.51 -0.70 -3.03 116.25 117.43 1sjj h VAL 212 Ca -0.44 -1.36 0.03 0.00 -1.23 0.00 0.00 66.70 63.69 1sjj h VAL 212 Cb 2.02 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 32.70 1sjj h VAL 212 CO 0.06 0.42 0.06 0.00 -1.23 0.00 0.00 177.57 176.88 1sjj h ALA 213 N 1.38 2.07 -3.00 5.19 0.00 -1.26 -2.99 119.26 120.65 1sjj h ALA 213 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sjj h ALA 213 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1sjj h ALA 213 CO 0.06 -0.11 0.00 -1.91 0.00 0.00 0.00 179.25 177.29 1sjj n GLU 214 N -4.49 0.00 0.00 0.00 0.00 -1.14 -0.68 120.64 114.32 1sjj n GLU 214 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 57.16 57.31 1sjj n GLU 214 Cb 0.18 -0.60 0.87 0.00 0.00 0.00 0.00 31.44 31.88 1sjj n GLU 214 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1sjj n LYS 215 N -0.23 0.96 -0.06 5.31 4.01 -1.24 -1.05 118.16 125.87 1sjj n LYS 215 Ca 0.00 -0.10 -0.07 0.00 -0.51 0.00 0.00 58.31 57.63 1sjj n LYS 215 Cb 0.00 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 32.95 1sjj n LYS 215 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1sjj n TYR 216 N -0.93 0.00 -0.02 2.13 4.01 -1.13 -4.80 117.16 116.42 1sjj n TYR 216 Ca 0.22 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.97 1sjj n TYR 216 Cb 0.16 -0.49 -0.08 0.00 -0.31 0.00 0.00 39.34 38.62 1sjj n TYR 216 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1sjj n LEU 217 N -2.63 0.00 -1.14 7.72 4.77 -1.22 -4.95 117.00 119.56 1sjj n LEU 217 Ca -0.19 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.68 1sjj n LEU 217 Cb 0.78 0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.95 1sjj n LEU 217 CO 0.17 0.09 -0.13 -0.67 -1.33 0.00 0.00 177.39 175.52 1sjj n ASP 218 N -2.04 -3.49 -4.63 -1.43 4.64 -0.21 -4.47 116.55 104.91 1sjj n ASP 218 Ca -0.07 0.01 -0.42 0.00 -1.38 0.00 0.00 54.79 52.93 1sjj n ASP 218 Cb 0.47 -2.67 -0.04 0.00 -1.04 0.00 0.00 41.12 37.84 1sjj n ASP 218 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1sjj s ILE 219 N -2.50 4.72 0.43 5.18 -1.09 0.14 -4.98 121.20 123.09 1sjj s ILE 219 Ca 0.00 1.50 -0.24 0.00 -2.23 0.00 0.00 60.65 59.69 1sjj s ILE 219 Cb 0.00 -4.22 -0.08 0.00 -1.58 0.00 0.00 42.46 36.57 1sjj s ILE 219 CO 0.00 -0.26 1.12 -2.16 -1.23 0.00 0.00 174.94 172.42 1sjj s PRO 220 N 3.13 3.96 -0.30 2.79 0.04 -1.26 -3.97 135.00 139.39 1sjj s PRO 220 Ca 0.37 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1sjj s PRO 220 Cb -0.14 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 1sjj s PRO 220 CO 0.11 -0.36 1.46 0.15 0.04 0.00 0.00 177.00 178.40 1sjj s LYS 221 N -2.54 3.75 0.00 4.56 1.02 -1.26 -4.79 119.74 120.47 1sjj s LYS 221 Ca 0.60 1.31 0.01 0.00 0.02 0.00 0.00 55.97 57.91 1sjj s LYS 221 Cb -0.27 -3.98 0.01 0.00 -0.52 0.00 0.00 37.83 33.07 1sjj s LYS 221 CO 0.33 -1.33 0.52 -1.33 -0.92 0.00 0.00 175.35 172.61 1sjj n MET 222 N 7.68 -0.62 -4.27 1.68 2.81 -1.26 -5.01 117.12 118.13 1sjj n MET 222 Ca 0.17 -0.54 -0.16 0.00 -1.81 0.00 0.00 57.70 55.36 1sjj n MET 222 Cb 0.46 -1.00 -0.10 0.00 -0.71 0.00 0.00 33.22 31.87 1sjj n MET 222 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1sjj s LEU 223 N -0.14 2.51 0.30 4.03 1.43 -1.26 -3.54 118.68 122.01 1sjj s LEU 223 Ca 0.01 -0.97 0.06 0.00 -1.03 0.00 0.00 54.13 52.20 1sjj s LEU 223 Cb 0.01 -0.46 -0.06 0.00 0.03 0.00 0.00 46.19 45.71 1sjj s LEU 223 CO 0.01 -0.26 -0.03 -1.81 0.23 0.00 0.00 176.35 174.49 1sjj s ASP 224 N -3.05 2.85 0.30 2.29 1.01 -1.26 -5.03 116.67 113.79 1sjj s ASP 224 Ca 0.16 -1.24 0.04 0.00 0.71 0.00 0.00 52.55 52.22 1sjj s ASP 224 Cb 0.00 -0.18 0.80 0.00 1.01 0.00 0.00 42.92 44.54 1sjj s ASP 224 CO 0.02 -0.40 1.61 0.00 0.21 0.00 0.00 175.17 176.62 1sjj h ALA 225 N 2.18 1.33 -0.52 5.23 0.00 -2.02 -2.48 119.26 122.98 1sjj h ALA 225 Ca -0.41 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1sjj h ALA 225 Cb 1.24 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1sjj h ALA 225 CO 0.69 -0.56 0.00 -0.85 0.00 0.00 0.00 179.25 178.53 1sjj n GLU 226 N -5.33 3.38 -0.02 0.00 0.00 -1.26 -3.81 120.64 113.60 1sjj n GLU 226 Ca 0.24 -2.36 -0.06 0.00 0.00 0.00 0.00 57.16 54.98 1sjj n GLU 226 Cb 0.78 -1.84 -0.02 0.00 0.00 0.00 0.00 31.44 30.36 1sjj n GLU 226 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1sjj n ASP 227 N 0.82 0.55 -0.17 -1.84 5.68 -0.94 -1.90 116.55 118.75 1sjj n ASP 227 Ca 0.21 0.09 0.13 0.00 -0.50 0.00 0.00 54.79 54.72 1sjj n ASP 227 Cb 0.79 -0.21 0.46 0.00 -1.14 0.00 0.00 41.12 41.02 1sjj n ASP 227 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1sjj h ILE 228 N -0.22 0.85 0.00 2.12 6.09 -1.76 -3.20 117.51 121.40 1sjj h ILE 228 Ca -0.13 -0.18 -0.04 0.00 -1.37 0.00 0.00 64.86 63.14 1sjj h ILE 228 Cb 1.00 0.29 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 1sjj h ILE 228 CO -0.08 0.09 -1.17 0.52 -3.07 0.00 0.00 178.15 174.44 1sjj n VAL 229 N -4.49 0.17 0.10 2.19 0.31 -1.26 -4.72 118.33 110.62 1sjj n VAL 229 Ca 0.14 -0.08 -0.15 0.00 -0.01 0.00 0.00 64.34 64.23 1sjj n VAL 229 Cb 0.45 -0.77 -0.14 0.00 -0.91 0.00 0.00 33.84 32.48 1sjj n VAL 229 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1sjj h GLY 230 N 0.35 0.28 -1.55 2.92 0.00 -1.65 -3.45 103.07 99.98 1sjj h GLY 230 Ca -0.07 -0.72 -0.49 0.00 0.00 0.00 0.00 47.33 46.05 1sjj h GLY 230 CO -0.00 0.63 0.40 -1.08 0.00 0.00 0.00 176.54 176.48 1sjj s THR 231 N -2.66 4.59 -0.43 4.70 -1.32 -0.80 -4.89 115.64 114.83 1sjj s THR 231 Ca -0.04 1.03 0.23 0.00 -1.21 0.00 0.00 61.69 61.70 1sjj s THR 231 Cb 0.07 -3.78 0.09 0.00 -1.51 0.00 0.00 72.50 67.38 1sjj s THR 231 CO 0.88 -0.91 1.27 0.00 -2.21 0.00 0.00 174.62 173.65 1sjj h ALA 232 N 0.26 0.64 -3.43 11.08 0.00 -1.91 -3.36 119.26 122.54 1sjj h ALA 232 Ca -0.45 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.84 1sjj h ALA 232 Cb 1.19 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.58 1sjj h ALA 232 CO 0.61 0.00 -0.75 1.03 0.00 0.00 0.00 179.25 180.14 1sjj s ARG 233 N -3.26 1.15 0.88 0.00 0.52 -1.26 -5.04 118.95 111.94 1sjj s ARG 233 Ca 0.04 -1.30 -0.13 0.00 -0.52 0.00 0.00 55.73 53.82 1sjj s ARG 233 Cb 0.10 -2.52 0.12 0.00 0.52 0.00 0.00 34.95 33.18 1sjj s ARG 233 CO 0.74 -0.88 1.18 -2.14 0.02 0.00 0.00 175.30 174.21 1sjj s PRO 234 N 1.34 1.36 -0.22 3.54 0.02 -1.26 -4.96 135.00 134.82 1sjj s PRO 234 Ca 0.07 0.12 -0.07 0.00 0.02 0.00 0.00 61.00 61.14 1sjj s PRO 234 Cb -0.18 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 1sjj s PRO 234 CO -0.15 -2.01 0.07 0.34 -0.33 0.00 0.00 177.00 174.91 1sjj s ASP 235 N -4.36 5.36 0.18 2.53 2.15 -1.26 -4.64 116.67 116.62 1sjj s ASP 235 Ca 0.64 -0.09 -0.15 0.00 0.43 0.00 0.00 52.55 53.38 1sjj s ASP 235 Cb -0.12 -1.94 0.15 0.00 -0.30 0.00 0.00 42.92 40.71 1sjj s ASP 235 CO 0.51 0.05 1.67 -0.08 -0.17 0.00 0.00 175.17 177.15 1sjj h GLU 236 N 7.61 0.04 0.31 4.34 4.22 -1.73 -2.60 114.58 126.78 1sjj h GLU 236 Ca -0.37 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.05 1sjj h GLU 236 Cb 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1sjj h GLU 236 CO 0.62 0.03 -0.15 0.87 -2.18 0.00 0.00 179.01 178.20 1sjj h LYS 237 N 0.04 -0.41 -0.78 1.92 1.57 -1.93 -2.87 116.57 114.12 1sjj h LYS 237 Ca 0.23 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.17 1sjj h LYS 237 Cb 0.35 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 32.61 1sjj h LYS 237 CO -0.44 -0.27 -0.33 0.00 -0.57 0.00 0.00 179.45 177.84 1sjj h ALA 238 N -1.53 0.14 0.69 3.86 0.00 -1.90 -1.54 119.26 118.98 1sjj h ALA 238 Ca -0.04 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1sjj h ALA 238 Cb 0.32 0.84 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1sjj h ALA 238 CO 0.07 -0.61 -0.33 0.82 0.00 0.00 0.00 179.25 179.20 1sjj h ILE 239 N -0.07 0.30 -0.42 0.00 2.04 -1.62 -3.29 117.51 114.45 1sjj h ILE 239 Ca 0.31 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 66.16 1sjj h ILE 239 Cb 0.58 0.32 -0.09 0.00 -0.74 0.00 0.00 36.82 36.89 1sjj h ILE 239 CO -0.83 0.01 -0.48 -0.03 0.00 0.00 0.00 178.15 176.82 1sjj h MET 240 N -0.97 -0.33 -0.79 2.37 4.05 -1.05 -0.68 114.93 117.52 1sjj h MET 240 Ca -0.09 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1sjj h MET 240 Cb 0.72 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1sjj h MET 240 CO 0.16 -0.22 0.00 0.25 0.23 0.00 0.00 176.91 177.32 1sjj n THR 241 N -5.40 0.11 -0.06 -0.77 -2.24 -1.01 -2.25 114.28 102.66 1sjj n THR 241 Ca -0.01 -0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 1sjj n THR 241 Cb 0.35 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.15 1sjj n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sjj n TYR 242 N -0.06 0.00 0.26 4.78 9.36 -0.46 -4.58 117.16 126.45 1sjj n TYR 242 Ca 0.01 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.32 1sjj n TYR 242 Cb 0.24 -0.43 0.67 0.00 -0.63 0.00 0.00 39.34 39.19 1sjj n TYR 242 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1sjj h VAL 243 N -0.56 0.90 0.00 2.97 -1.51 -1.18 -1.00 116.25 115.87 1sjj h VAL 243 Ca -0.21 -0.24 -0.03 0.00 -1.23 0.00 0.00 66.70 64.99 1sjj h VAL 243 Cb 0.98 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1sjj h VAL 243 CO -0.13 0.06 -0.13 0.77 -1.23 0.00 0.00 177.57 176.91 1sjj h SER 244 N 0.00 0.00 0.46 4.19 4.64 -1.69 -2.58 113.55 118.58 1sjj h SER 244 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1sjj h SER 244 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1sjj h SER 244 CO 0.01 0.13 -0.51 0.28 -0.87 0.00 0.00 176.83 175.87 1sjj h SER 245 N 0.00 0.06 0.30 4.97 0.02 -1.42 -2.82 113.55 114.65 1sjj h SER 245 Ca -0.00 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1sjj h SER 245 Cb 0.41 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1sjj h SER 245 CO 0.02 0.56 -0.01 -0.26 -1.14 0.00 0.00 176.83 176.00 1sjj h PHE 246 N 0.04 0.00 -1.06 3.45 0.04 -1.54 -3.12 116.94 114.75 1sjj h PHE 246 Ca -0.00 0.00 0.28 0.00 2.80 0.00 0.00 57.97 61.05 1sjj h PHE 246 Cb 0.92 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.97 1sjj h PHE 246 CO 0.00 0.01 0.68 -0.92 -0.60 0.00 0.00 178.31 177.48 1sjj h TYR 247 N 0.00 0.69 0.00 -0.55 3.20 -1.58 -2.01 116.97 116.72 1sjj h TYR 247 Ca -0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1sjj h TYR 247 Cb 0.16 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 1sjj h TYR 247 CO 0.00 0.02 -1.91 0.72 -1.64 0.00 0.00 178.16 175.36 1sjj n HIS 248 N -4.68 0.09 0.00 -3.82 -0.00 -1.18 -5.03 115.22 100.60 1sjj n HIS 248 Ca 0.27 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 58.02 1sjj n HIS 248 Cb 0.92 -0.55 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 1sjj n HIS 248 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1sjj n ALA 249 N -2.25 0.00 0.00 -1.41 0.00 -0.76 -1.45 120.51 114.64 1sjj n ALA 249 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1sjj n ALA 249 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1sjj n ALA 249 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sjj n PHE 250 N 0.00 0.00 -2.71 0.00 7.35 -1.26 -4.62 117.46 116.21 1sjj n PHE 250 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 1sjj n PHE 250 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 1sjj n PHE 250 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1sjj s SER 251 N -0.56 6.40 -0.98 -2.13 0.01 -0.53 -4.94 113.70 110.97 1sjj s SER 251 Ca 0.00 -1.30 -0.24 0.00 1.31 0.00 0.00 55.95 55.72 1sjj s SER 251 Cb 0.00 -2.49 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 1sjj s SER 251 CO 0.00 -1.45 1.93 -0.83 0.41 0.00 0.00 173.24 173.30 1sjj s GLY 252 N 4.12 0.23 -0.44 3.44 0.00 -1.26 -4.88 107.32 108.53 1sjj s GLY 252 Ca 0.35 -1.70 -0.28 0.00 0.00 0.00 0.00 44.72 43.10 1sjj s GLY 252 CO -0.01 3.47 1.83 0.00 0.00 0.00 0.00 173.10 178.40 1sjj s ALA 253 N 10.09 2.57 0.13 3.20 0.00 -1.26 -5.01 121.76 131.48 1sjj s ALA 253 Ca 0.69 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.65 1sjj s ALA 253 Cb -0.05 -4.13 -0.04 0.00 0.00 0.00 0.00 23.12 18.90 1sjj s ALA 253 CO 0.02 -3.15 -0.14 -0.65 0.00 0.00 0.00 175.76 171.84 1sjj s GLN 254 N 6.24 1.92 0.32 0.00 -1.52 -1.26 -4.98 119.66 120.38 1sjj s GLN 254 Ca 0.76 -1.16 -0.17 0.00 -1.95 0.00 0.00 55.36 52.84 1sjj s GLN 254 Cb -0.18 -2.17 0.03 0.00 -0.22 0.00 0.00 33.01 30.46 1sjj s GLN 254 CO 0.29 0.48 0.69 0.15 -0.25 0.00 0.00 175.29 176.65 1sjj s LYS 255 N -2.31 1.92 0.01 2.91 1.02 -1.26 -5.14 119.74 116.89 1sjj s LYS 255 Ca 0.20 -1.24 -0.25 0.00 0.02 0.00 0.00 55.97 54.71 1sjj s LYS 255 Cb -0.10 0.58 0.06 0.00 -0.52 0.00 0.00 37.83 37.85 1sjj s LYS 255 CO 0.12 -0.87 0.57 0.00 -0.92 0.00 0.00 175.35 174.25 1sjj s ALA 256 N -3.32 -1.47 -0.38 5.17 0.00 -1.26 -4.93 121.76 115.56 1sjj s ALA 256 Ca 0.16 0.85 0.03 0.00 0.00 0.00 0.00 51.96 52.99 1sjj s ALA 256 Cb -0.05 0.24 0.11 0.00 0.00 0.00 0.00 23.12 23.42 1sjj s ALA 256 CO 0.10 -0.45 0.11 -1.21 0.00 0.00 0.00 175.76 174.31 1sjj s GLU 257 N -1.93 1.65 -1.28 0.00 0.41 -1.26 -5.06 118.70 111.22 1sjj s GLU 257 Ca -0.08 -1.97 -0.15 0.00 -0.41 0.00 0.00 54.97 52.36 1sjj s GLU 257 Cb -0.01 -3.30 0.11 0.00 -1.78 0.00 0.00 34.13 29.16 1sjj s GLU 257 CO 0.03 -0.99 1.69 2.41 -0.49 0.00 0.00 175.26 177.91 1sjj n THR 258 N 4.17 4.04 -2.41 3.63 -1.04 -1.26 -5.00 114.28 116.41 1sjj n THR 258 Ca 0.03 -4.25 -0.42 0.00 -2.04 0.00 0.00 64.05 57.38 1sjj n THR 258 Cb 0.41 -2.42 -0.03 0.00 -1.82 0.00 0.00 70.33 66.47 1sjj n THR 258 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sjj s ALA 259 N 2.82 3.41 -0.89 2.41 0.00 -1.26 -4.99 121.76 123.26 1sjj s ALA 259 Ca 0.48 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.33 1sjj s ALA 259 Cb 0.03 -3.42 0.33 0.00 0.00 0.00 0.00 23.12 20.05 1sjj s ALA 259 CO 0.03 -0.38 1.57 0.00 0.00 0.00 0.00 175.76 176.98 1sjj n ALA 260 N 3.23 5.67 -0.10 0.00 0.00 -1.26 -5.06 120.51 122.99 1sjj n ALA 260 Ca 0.07 -4.63 -0.04 0.00 0.00 0.00 0.00 53.44 48.83 1sjj n ALA 260 Cb 0.46 -1.75 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 1sjj n ALA 260 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sjj n ASN 261 N -0.13 0.01 -3.29 0.00 3.02 -1.26 -5.07 115.26 108.54 1sjj n ASN 261 Ca 0.42 0.08 -0.13 0.00 -0.03 0.00 0.00 54.58 54.92 1sjj n ASN 261 Cb 0.30 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 1sjj n ASN 261 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1sjj s ARG 262 N 0.02 1.92 -0.08 3.52 0.52 -1.26 -5.14 118.95 118.44 1sjj s ARG 262 Ca 0.06 -1.64 -0.31 0.00 -0.52 0.00 0.00 55.73 53.33 1sjj s ARG 262 Cb -0.09 0.48 0.09 0.00 0.52 0.00 0.00 34.95 35.95 1sjj s ARG 262 CO 0.04 -0.81 0.77 -1.50 0.02 0.00 0.00 175.30 173.81 1sjj s ILE 263 N -3.05 0.00 0.00 1.52 1.10 -1.26 -5.14 121.20 114.37 1sjj s ILE 263 Ca 0.27 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.41 1sjj s ILE 263 Cb -0.01 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.60 1sjj s ILE 263 CO 0.17 0.00 0.00 0.00 -2.11 0.00 0.00 174.94 173.00 1sjj s LYS 265 N -4.46 0.43 -0.10 0.00 2.20 -1.26 -5.16 119.74 111.39 1sjj s LYS 265 Ca 0.00 0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 56.42 1sjj s LYS 265 Cb 0.00 0.24 0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1sjj s LYS 265 CO 0.00 -0.11 0.04 0.14 -0.36 0.00 0.00 175.35 175.06 1sjj s VAL 266 N 1.78 0.18 -0.65 4.02 -7.23 -1.26 -5.06 120.40 112.18 1sjj s VAL 266 Ca -0.07 0.03 0.05 0.00 -1.81 0.00 0.00 61.98 60.18 1sjj s VAL 266 Cb -0.05 -0.52 0.17 0.00 0.56 0.00 0.00 36.38 36.54 1sjj s VAL 266 CO -0.17 0.05 0.46 -0.76 -0.31 0.00 0.00 175.10 174.38 1sjj s LEU 267 N 2.04 4.23 -0.40 1.32 1.43 -1.26 -5.00 118.68 121.04 1sjj s LEU 267 Ca 0.03 -3.69 0.04 0.00 -1.03 0.00 0.00 54.13 49.48 1sjj s LEU 267 Cb -0.14 -1.43 0.17 0.00 0.03 0.00 0.00 46.19 44.82 1sjj s LEU 267 CO -0.06 -0.10 0.45 0.00 0.23 0.00 0.00 176.35 176.87 1sjj s ALA 268 N -1.16 -0.60 0.08 4.21 0.00 -1.26 -5.00 121.76 118.02 1sjj s ALA 268 Ca 0.26 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1sjj s ALA 268 Cb -0.04 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1sjj s ALA 268 CO -0.17 -2.15 0.00 1.55 0.00 0.00 0.00 175.76 175.00 1sjj n VAL 269 N 3.85 0.13 -2.86 0.00 3.14 -1.26 -4.61 118.33 116.72 1sjj n VAL 269 Ca 0.15 0.04 -0.03 0.00 -2.96 0.00 0.00 64.34 61.54 1sjj n VAL 269 Cb 0.48 -0.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 1sjj n VAL 269 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1sjj n ASN 270 N -2.84 -7.43 0.04 6.55 3.02 -1.26 -4.95 115.26 108.39 1sjj n ASN 270 Ca 0.00 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1sjj n ASN 270 Cb 0.00 -5.02 0.00 0.00 -0.61 0.00 0.00 39.78 34.15 1sjj n ASN 270 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sjj n GLN 271 N -1.11 0.00 0.06 3.52 1.13 -1.26 -4.89 117.38 114.83 1sjj n GLN 271 Ca 0.05 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.09 1sjj n GLN 271 Cb 0.47 0.00 0.24 0.00 0.11 0.00 0.00 30.24 31.06 1sjj n GLN 271 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 1sjj h GLU 272 N 0.00 0.34 -0.41 -1.09 9.09 -2.01 -3.14 114.58 117.36 1sjj h GLU 272 Ca 0.00 -0.13 -0.06 0.00 0.05 0.00 0.00 59.36 59.21 1sjj h GLU 272 Cb 0.00 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.06 1sjj h GLU 272 CO 0.00 0.61 -0.01 -0.97 0.05 0.00 0.00 179.01 178.69 1sjj h ASN 273 N 0.30 0.63 -0.63 3.06 -0.73 -1.97 -0.72 115.58 115.53 1sjj h ASN 273 Ca 0.04 -0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.04 1sjj h ASN 273 Cb 0.68 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 39.07 1sjj h ASN 273 CO 0.05 0.71 0.26 -0.33 -0.37 0.00 0.00 177.43 177.75 1sjj h GLU 274 N 0.63 0.93 0.23 6.67 4.39 -1.90 -0.19 114.58 125.34 1sjj h GLU 274 Ca 0.13 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1sjj h GLU 274 Cb 0.41 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1sjj h GLU 274 CO 0.02 0.77 -0.11 0.37 -1.16 0.00 0.00 179.01 178.90 1sjj h GLN 275 N 0.87 -0.30 0.00 2.33 -0.00 -1.54 -0.19 115.11 116.28 1sjj h GLN 275 Ca 0.21 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.88 1sjj h GLN 275 Cb 0.18 0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.73 1sjj h GLN 275 CO -0.02 -0.08 0.00 -0.07 0.00 0.00 0.00 178.83 178.66 1sjj h LEU 276 N -0.48 0.00 -0.17 -2.39 4.07 -1.09 -0.33 115.31 114.92 1sjj h LEU 276 Ca -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 1sjj h LEU 276 Cb 0.36 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1sjj h LEU 276 CO 0.05 0.00 -0.00 -0.03 -1.08 0.00 0.00 178.44 177.38 1sjj h MET 277 N 0.00 0.31 -0.70 1.13 1.85 -0.97 -3.29 114.93 113.26 1sjj h MET 277 Ca 0.00 -0.10 0.11 0.00 -0.61 0.00 0.00 59.70 59.10 1sjj h MET 277 Cb 0.44 -0.03 -0.08 0.00 0.43 0.00 0.00 31.60 32.36 1sjj h MET 277 CO 0.00 0.52 0.30 1.49 -0.40 0.00 0.00 176.91 178.82 1sjj h GLU 278 N 0.06 0.47 -0.57 0.39 4.22 0.27 -2.65 114.58 116.77 1sjj h GLU 278 Ca 0.05 -0.03 0.17 0.00 0.08 0.00 0.00 59.36 59.63 1sjj h GLU 278 Cb 0.38 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1sjj h GLU 278 CO 0.01 0.31 0.45 -0.44 -2.18 0.00 0.00 179.01 177.16 1sjj h ASP 279 N 0.48 0.00 0.66 1.04 5.19 -1.18 -0.47 116.42 122.14 1sjj h ASP 279 Ca 0.36 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.74 1sjj h ASP 279 Cb 0.47 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.99 1sjj h ASP 279 CO -0.33 0.00 -0.32 0.22 -3.12 0.00 0.00 179.24 175.69 1sjj h TYR 280 N 0.00 -0.82 -0.17 4.55 3.20 -1.58 -2.69 116.97 119.47 1sjj h TYR 280 Ca 0.27 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.13 1sjj h TYR 280 Cb 1.16 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 1sjj h TYR 280 CO 0.00 -0.48 0.08 0.93 -1.64 0.00 0.00 178.16 177.05 1sjj h GLU 281 N -1.17 0.17 -0.02 1.82 4.39 -1.15 -2.07 114.58 116.54 1sjj h GLU 281 Ca -0.09 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1sjj h GLU 281 Cb 0.71 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1sjj h GLU 281 CO 0.15 0.11 -0.04 -0.22 -1.16 0.00 0.00 179.01 177.85 1sjj h LYS 282 N 0.17 -0.03 -0.54 2.33 3.64 -1.38 -2.89 116.57 117.86 1sjj h LYS 282 Ca 0.07 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1sjj h LYS 282 Cb 0.02 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1sjj h LYS 282 CO -0.05 -0.02 0.09 1.25 -2.27 0.00 0.00 179.45 178.45 1sjj h LEU 283 N -0.04 0.82 -2.26 5.20 5.85 -1.51 -1.38 115.31 121.99 1sjj h LEU 283 Ca 0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1sjj h LEU 283 Cb 0.05 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1sjj h LEU 283 CO -0.04 0.83 -0.02 0.00 -0.34 0.00 0.00 178.44 178.87 1sjj h ALA 284 N 1.27 1.64 0.00 1.25 0.00 -1.45 -2.63 119.26 119.34 1sjj h ALA 284 Ca 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1sjj h ALA 284 Cb 0.37 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1sjj h ALA 284 CO 0.01 0.02 -0.27 0.77 0.00 0.00 0.00 179.25 179.78 1sjj h SER 285 N 0.00 0.00 0.49 0.00 0.02 -1.02 -0.01 113.55 113.03 1sjj h SER 285 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1sjj h SER 285 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1sjj h SER 285 CO 0.00 0.27 -0.23 -0.78 -1.14 0.00 0.00 176.83 174.94 1sjj h ASP 286 N 0.00 -0.55 -0.58 3.07 1.82 -1.50 -3.17 116.42 115.51 1sjj h ASP 286 Ca -0.00 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.68 1sjj h ASP 286 Cb 0.95 0.14 -0.03 0.00 0.68 0.00 0.00 39.33 41.07 1sjj h ASP 286 CO 0.03 -0.14 0.36 0.25 -1.61 0.00 0.00 179.24 178.14 1sjj h LEU 287 N -1.17 0.60 -0.45 2.28 5.85 -1.41 0.77 115.31 121.78 1sjj h LEU 287 Ca -0.07 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 1sjj h LEU 287 Cb 0.50 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1sjj h LEU 287 CO 0.11 0.42 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.14 1sjj h LEU 288 N 0.72 0.00 0.26 2.25 3.38 -1.19 -2.68 115.31 118.04 1sjj h LEU 288 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1sjj h LEU 288 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1sjj h LEU 288 CO -0.08 0.43 -0.12 -0.08 0.09 0.00 0.00 178.44 178.67 1sjj h GLU 289 N 0.00 -0.33 -0.30 1.13 4.22 -1.38 -3.25 114.58 114.67 1sjj h GLU 289 Ca -0.00 0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.53 1sjj h GLU 289 Cb 1.15 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.40 1sjj h GLU 289 CO 0.06 -0.22 -0.22 2.35 -2.18 0.00 0.00 179.01 178.80 1sjj h TRP 290 N -0.46 -0.56 0.00 0.92 7.01 -0.88 0.54 115.95 122.52 1sjj h TRP 290 Ca -0.04 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1sjj h TRP 290 Cb 0.26 0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 1sjj h TRP 290 CO 0.10 -0.29 0.00 -0.84 -2.79 0.00 0.00 178.44 174.61 1sjj h ILE 291 N -0.19 0.00 -0.16 2.65 3.07 -1.68 -0.76 117.51 120.44 1sjj h ILE 291 Ca 0.16 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.28 1sjj h ILE 291 Cb 0.43 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 38.14 1sjj h ILE 291 CO -0.42 0.00 0.00 -1.14 -1.05 0.00 0.00 178.15 175.54 1sjj n ARG 292 N -2.77 2.05 -0.08 0.16 0.63 0.04 -3.69 116.66 113.00 1sjj n ARG 292 Ca 0.00 -1.89 -0.22 0.00 -0.92 0.00 0.00 57.85 54.82 1sjj n ARG 292 Cb 0.21 -1.42 -0.12 0.00 0.45 0.00 0.00 32.46 31.58 1sjj n ARG 292 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1sjj n ARG 293 N 1.20 0.62 -0.19 -0.14 0.63 -0.39 -4.82 116.66 113.58 1sjj n ARG 293 Ca 0.14 0.49 -0.08 0.00 -0.92 0.00 0.00 57.85 57.48 1sjj n ARG 293 Cb 0.53 -1.74 0.02 0.00 0.45 0.00 0.00 32.46 31.72 1sjj n ARG 293 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1sjj h THR 294 N -0.72 1.21 -0.71 5.15 2.02 -1.23 -3.38 112.91 115.25 1sjj h THR 294 Ca -0.37 -0.66 0.13 0.00 0.77 0.00 0.00 66.41 66.28 1sjj h THR 294 Cb 1.50 0.65 -0.13 0.00 -1.74 0.00 0.00 68.15 68.44 1sjj h THR 294 CO -0.14 0.25 -0.20 -0.38 0.37 0.00 0.00 175.52 175.42 1sjj n ILE 295 N -4.53 -0.32 0.26 3.11 5.41 -1.25 -1.35 119.36 120.69 1sjj n ILE 295 Ca 0.02 1.63 0.15 0.00 1.00 0.00 0.00 62.75 65.55 1sjj n ILE 295 Cb 0.15 -2.23 0.68 0.00 -0.71 0.00 0.00 39.64 37.53 1sjj n ILE 295 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1sjj h PRO 296 N 0.00 0.00 0.00 0.38 0.13 -1.96 -0.47 132.00 130.08 1sjj h PRO 296 Ca 0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.43 1sjj h PRO 296 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 1sjj h PRO 296 CO -0.72 0.10 -0.07 2.35 -0.23 0.00 0.00 178.00 179.42 1sjj h TRP 297 N 0.00 0.00 0.02 1.56 7.01 -1.50 -1.92 115.95 121.13 1sjj h TRP 297 Ca -0.00 0.00 -0.36 0.00 2.11 0.00 0.00 58.89 60.64 1sjj h TRP 297 Cb 0.49 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.49 1sjj h TRP 297 CO 0.00 0.07 -2.21 1.28 -2.79 0.00 0.00 178.44 174.79 1sjj n LEU 298 N -3.20 1.52 0.09 0.65 4.77 -0.59 -4.48 117.00 115.75 1sjj n LEU 298 Ca 0.01 0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 56.00 1sjj n LEU 298 Cb 0.35 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1sjj n LEU 298 CO 0.29 0.67 0.24 -0.33 -1.33 0.00 0.00 177.39 176.93 1sjj h GLU 299 N 0.01 0.09 0.00 3.23 4.39 -1.05 -3.41 114.58 117.85 1sjj h GLU 299 Ca -0.48 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.10 1sjj h GLU 299 Cb 2.06 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.75 1sjj h GLU 299 CO 0.02 0.92 0.00 -1.71 -1.16 0.00 0.00 179.01 177.08 1sjj n ASN 300 N -3.57 0.00 -2.89 1.42 5.15 -0.73 -4.97 115.26 109.67 1sjj n ASN 300 Ca -0.02 0.62 -0.07 0.00 -0.60 0.00 0.00 54.58 54.50 1sjj n ASN 300 Cb 0.83 -0.24 0.01 0.00 -0.53 0.00 0.00 39.78 39.85 1sjj n ASN 300 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1sjj n ARG 301 N -2.07 -2.63 -3.73 1.20 1.74 -1.26 -5.05 116.66 104.86 1sjj n ARG 301 Ca 0.00 2.23 -0.15 0.00 -0.77 0.00 0.00 57.85 59.16 1sjj n ARG 301 Cb 0.00 -4.93 -0.15 0.00 -1.02 0.00 0.00 32.46 26.36 1sjj n ARG 301 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sjj s ALA 302 N -2.03 -0.21 -0.36 7.54 0.00 -1.26 -5.11 121.76 120.32 1sjj s ALA 302 Ca 0.15 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 52.45 1sjj s ALA 302 Cb -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 1sjj s ALA 302 CO 0.73 -0.25 1.71 -1.25 0.00 0.00 0.00 175.76 176.69 1sjj s PRO 303 N 1.45 3.38 0.23 0.00 0.04 -1.26 -5.02 135.00 133.82 1sjj s PRO 303 Ca -0.06 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.23 1sjj s PRO 303 Cb -0.12 -4.16 0.05 0.00 0.04 0.00 0.00 34.50 30.32 1sjj s PRO 303 CO -0.06 -1.81 0.29 -1.91 0.04 0.00 0.00 177.00 173.56 1sjj n GLU 304 N 8.36 -0.48 0.00 4.56 0.00 -1.26 -5.09 120.64 126.73 1sjj n GLU 304 Ca 0.21 -0.45 0.00 0.00 0.00 0.00 0.00 57.16 56.92 1sjj n GLU 304 Cb 0.47 -0.32 0.00 0.00 0.00 0.00 0.00 31.44 31.59 1sjj n GLU 304 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1sjj n ASN 305 N -3.23 0.00 -4.71 4.31 3.02 -1.26 -4.94 115.26 108.46 1sjj n ASN 305 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.30 1sjj n ASN 305 Cb 0.13 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.46 1sjj n ASN 305 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1sjj s THR 306 N 0.00 2.18 0.14 3.41 -4.23 -1.26 -4.95 115.64 110.93 1sjj s THR 306 Ca 0.00 0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 60.38 1sjj s THR 306 Cb 0.00 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.26 1sjj s THR 306 CO 0.00 -0.08 1.69 -0.03 -0.54 0.00 0.00 174.62 175.66 1sjj h MET 307 N -1.76 -0.01 -1.01 3.99 4.05 -1.92 -3.03 114.93 115.24 1sjj h MET 307 Ca -0.53 0.00 0.23 0.00 -0.28 0.00 0.00 59.70 59.13 1sjj h MET 307 Cb 1.32 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 32.01 1sjj h MET 307 CO 0.58 -0.01 0.62 0.37 0.23 0.00 0.00 176.91 178.70 1sjj h GLN 308 N -0.02 0.57 0.00 0.39 -0.00 -1.96 -1.42 115.11 112.67 1sjj h GLN 308 Ca 0.13 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.65 1sjj h GLN 308 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.55 1sjj h GLN 308 CO -0.28 0.38 -0.44 0.00 0.00 0.00 0.00 178.83 178.49 1sjj h ALA 309 N 1.68 1.14 0.00 3.38 0.00 -1.90 -1.89 119.26 121.67 1sjj h ALA 309 Ca 0.61 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1sjj h ALA 309 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1sjj h ALA 309 CO -0.41 0.55 0.00 1.98 0.00 0.00 0.00 179.25 181.37 1sjj h MET 310 N 0.00 0.00 0.00 0.00 4.05 -1.28 0.13 114.93 117.83 1sjj h MET 310 Ca -0.00 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.28 1sjj h MET 310 Cb 0.85 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 1sjj h MET 310 CO 0.06 0.00 -0.68 1.96 0.23 0.00 0.00 176.91 178.48 1sjj h GLN 311 N 0.00 0.00 -0.10 0.39 1.08 -1.08 -1.56 115.11 113.84 1sjj h GLN 311 Ca 0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1sjj h GLN 311 Cb 0.81 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1sjj h GLN 311 CO 0.00 0.63 -0.26 0.37 -0.95 0.00 0.00 178.83 178.62 1sjj h GLN 312 N 0.00 0.35 -0.55 1.46 -0.00 -1.07 -1.33 115.11 113.98 1sjj h GLN 312 Ca -0.01 -0.25 0.16 0.00 -0.00 0.00 0.00 58.65 58.55 1sjj h GLN 312 Cb 1.50 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 29.00 1sjj h GLN 312 CO 0.08 0.86 0.49 -0.22 0.00 0.00 0.00 178.83 180.04 1sjj h LYS 313 N -0.10 0.00 0.15 1.69 1.63 -0.80 -2.32 116.57 116.83 1sjj h LYS 313 Ca -0.00 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.59 1sjj h LYS 313 Cb 0.87 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.53 1sjj h LYS 313 CO 0.06 0.00 -0.89 1.25 -3.45 0.00 0.00 179.45 176.42 1sjj h LEU 314 N 0.00 0.52 -0.88 5.20 6.46 -1.00 -3.24 115.31 122.37 1sjj h LEU 314 Ca 0.26 -0.95 0.16 0.00 -0.12 0.00 0.00 57.88 57.23 1sjj h LEU 314 Cb 1.23 -0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 40.90 1sjj h LEU 314 CO -0.00 1.43 0.46 -0.33 -0.62 0.00 0.00 178.44 179.38 1sjj h GLU 315 N -0.31 0.62 -0.22 1.25 4.39 -0.71 0.91 114.58 120.51 1sjj h GLU 315 Ca -0.15 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.55 1sjj h GLU 315 Cb 1.70 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.20 1sjj h GLU 315 CO 0.17 0.41 0.15 -0.44 -1.16 0.00 0.00 179.01 178.14 1sjj h ASP 316 N 0.64 0.11 0.64 1.42 3.32 -1.55 0.93 116.42 121.93 1sjj h ASP 316 Ca 0.49 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1sjj h ASP 316 Cb 0.72 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1sjj h ASP 316 CO -0.38 0.08 0.00 0.33 -1.72 0.00 0.00 179.24 177.55 1sjj n PHE 317 N -4.49 0.00 -0.09 4.55 7.35 0.28 -0.95 117.46 124.11 1sjj n PHE 317 Ca 0.01 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.61 1sjj n PHE 317 Cb 0.20 -0.33 -0.12 0.00 0.35 0.00 0.00 39.48 39.58 1sjj n PHE 317 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1sjj n ARG 318 N -1.33 1.12 0.04 -4.13 1.74 0.01 -1.61 116.66 112.50 1sjj n ARG 318 Ca 0.13 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 57.10 1sjj n ARG 318 Cb 0.25 -1.43 -0.08 0.00 -1.02 0.00 0.00 32.46 30.19 1sjj n ARG 318 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1sjj h ASP 319 N 0.00 -0.05 0.41 0.55 -0.00 -1.01 -0.78 116.42 115.54 1sjj h ASP 319 Ca -0.46 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.03 56.40 1sjj h ASP 319 Cb 1.96 0.01 -0.03 0.00 -0.00 0.00 0.00 39.33 41.28 1sjj h ASP 319 CO 0.00 0.14 -0.48 0.22 -0.00 0.00 0.00 179.24 179.13 1sjj h TYR 320 N -0.24 -1.32 0.00 0.28 3.20 -1.22 -2.47 116.97 115.21 1sjj h TYR 320 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1sjj h TYR 320 Cb 0.21 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1sjj h TYR 320 CO -0.01 -0.63 -0.26 0.00 -1.64 0.00 0.00 178.16 175.62 1sjj h ARG 321 N -0.91 0.00 0.07 1.82 2.47 -1.40 0.33 114.38 116.76 1sjj h ARG 321 Ca -0.04 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.52 1sjj h ARG 321 Cb 0.82 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1sjj h ARG 321 CO -0.10 0.00 -0.79 -0.09 0.56 0.00 0.00 179.97 179.55 1sjj h ARG 322 N 0.00 0.15 0.00 0.04 2.43 -1.21 -3.39 114.38 112.41 1sjj h ARG 322 Ca 0.00 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1sjj h ARG 322 Cb 0.96 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1sjj h ARG 322 CO 0.00 1.13 0.00 1.47 -1.51 0.00 0.00 179.97 181.06 1sjj n LEU 323 N -4.26 0.67 -0.04 3.80 -0.00 -0.95 -4.55 117.00 111.68 1sjj n LEU 323 Ca -0.18 -0.67 -0.03 0.00 -0.00 0.00 0.00 56.01 55.13 1sjj n LEU 323 Cb 0.72 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.13 1sjj n LEU 323 CO 0.38 0.17 -0.22 1.41 -0.00 0.00 0.00 177.39 179.13 1sjj n HIS 324 N -0.03 0.24 -0.12 1.47 8.25 -0.96 -4.81 115.22 119.26 1sjj n HIS 324 Ca 0.00 0.11 -0.08 0.00 -0.26 0.00 0.00 57.72 57.48 1sjj n HIS 324 Cb 0.13 -0.37 -0.00 0.00 1.12 0.00 0.00 29.99 30.86 1sjj n HIS 324 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1sjj h LYS 325 N -0.45 0.48 -0.20 -0.41 3.64 -1.19 -3.35 116.57 115.09 1sjj h LYS 325 Ca 0.00 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1sjj h LYS 325 Cb 0.33 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1sjj h LYS 325 CO 0.00 0.32 0.03 -1.35 -2.27 0.00 0.00 179.45 176.17 1sjj h PRO 326 N 0.49 0.10 0.00 1.90 0.11 -1.80 -2.12 132.00 130.68 1sjj h PRO 326 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1sjj h PRO 326 Cb -0.04 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1sjj h PRO 326 CO -0.04 0.06 0.00 -1.00 -0.21 0.00 0.00 178.00 176.81 1sjj h PRO 327 N 0.10 0.00 -0.00 1.05 0.13 -1.88 -2.56 132.00 128.83 1sjj h PRO 327 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1sjj h PRO 327 Cb 0.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1sjj h PRO 327 CO -0.13 0.00 -0.10 1.63 -0.23 0.00 0.00 178.00 179.17 1sjj n LYS 328 N -2.99 0.77 0.01 0.86 4.76 -0.82 -1.95 118.16 118.81 1sjj n LYS 328 Ca -0.00 -0.27 -0.19 0.00 -2.87 0.00 0.00 58.31 54.98 1sjj n LYS 328 Cb 0.22 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.82 1sjj n LYS 328 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1sjj h VAL 329 N 0.67 1.33 0.14 -0.18 2.07 -1.23 -3.37 116.25 115.68 1sjj h VAL 329 Ca 0.00 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1sjj h VAL 329 Cb 0.35 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1sjj h VAL 329 CO 0.00 0.64 -0.13 -0.61 0.02 0.00 0.00 177.57 177.50 1sjj h GLN 330 N 0.26 -0.28 -0.94 1.57 -0.00 -1.36 -3.04 115.11 111.31 1sjj h GLN 330 Ca -0.09 0.02 0.20 0.00 -0.00 0.00 0.00 58.65 58.77 1sjj h GLN 330 Cb 1.49 0.06 -0.11 0.00 0.00 0.00 0.00 27.48 28.92 1sjj h GLN 330 CO 0.16 -0.19 0.52 0.93 0.00 0.00 0.00 178.83 180.26 1sjj h GLU 331 N -0.29 0.60 0.00 1.69 4.39 -1.61 -0.78 114.58 118.57 1sjj h GLU 331 Ca -0.00 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1sjj h GLU 331 Cb 0.27 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1sjj h GLU 331 CO -0.02 0.40 -0.02 -0.22 -1.16 0.00 0.00 179.01 177.98 1sjj h LYS 332 N 0.62 0.00 0.12 2.33 3.64 -1.69 0.36 116.57 121.95 1sjj h LYS 332 Ca 0.56 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.62 1sjj h LYS 332 Cb 0.94 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1sjj h LYS 332 CO -0.43 0.02 -1.71 0.00 -2.27 0.00 0.00 179.45 175.06 1sjj h GLN 334 N -0.17 -0.32 -3.56 0.00 -0.00 -0.71 0.18 115.11 110.53 1sjj h GLN 334 Ca -0.37 0.02 -0.18 0.00 -0.00 0.00 0.00 58.65 58.12 1sjj h GLN 334 Cb 1.88 0.07 0.00 0.00 0.00 0.00 0.00 27.48 29.43 1sjj h GLN 334 CO 0.05 -0.21 1.62 -0.11 0.00 0.00 0.00 178.83 180.18 1sjj n LEU 335 N -5.31 2.46 0.05 -2.39 7.94 0.12 -0.12 117.00 119.75 1sjj n LEU 335 Ca -0.06 -1.90 0.00 0.00 -1.11 0.00 0.00 56.01 52.94 1sjj n LEU 335 Cb 0.23 -0.76 0.00 0.00 0.53 0.00 0.00 43.42 43.42 1sjj n LEU 335 CO 0.27 -0.20 0.00 1.21 -1.11 0.00 0.00 177.39 177.55 1sjj n GLU 336 N 4.34 0.00 -0.29 1.96 2.13 -0.64 -4.81 120.64 123.32 1sjj n GLU 336 Ca 0.22 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.16 1sjj n GLU 336 Cb 0.10 0.00 0.37 0.00 0.27 0.00 0.00 31.44 32.17 1sjj n GLU 336 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1sjj h ILE 337 N 0.00 0.80 0.31 6.31 2.04 -0.41 -2.01 117.51 124.54 1sjj h ILE 337 Ca 0.00 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1sjj h ILE 337 Cb 0.00 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1sjj h ILE 337 CO 0.00 0.13 -0.17 0.78 0.00 0.00 0.00 178.15 178.89 1sjj h ASN 338 N 0.71 -0.43 -0.34 1.72 4.21 -0.77 -2.49 115.58 118.19 1sjj h ASN 338 Ca 0.48 0.02 0.05 0.00 1.21 0.00 0.00 56.30 58.06 1sjj h ASN 338 Cb 0.78 0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 38.06 1sjj h ASN 338 CO -0.24 -0.28 0.07 0.15 -1.29 0.00 0.00 177.43 175.84 1sjj h PHE 339 N -0.45 0.12 -0.53 1.19 3.57 -1.71 0.11 116.94 119.24 1sjj h PHE 339 Ca -0.03 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.59 1sjj h PHE 339 Cb 0.37 -0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.00 1sjj h PHE 339 CO -0.08 0.03 -0.15 -0.91 -2.23 0.00 0.00 178.31 174.97 1sjj h ASN 340 N 0.19 -0.53 0.40 0.41 4.21 -1.39 -0.49 115.58 118.38 1sjj h ASN 340 Ca 0.16 0.16 -0.02 0.00 1.21 0.00 0.00 56.30 57.81 1sjj h ASN 340 Cb 0.18 0.34 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 1sjj h ASN 340 CO -0.21 -0.19 -0.19 0.74 -1.29 0.00 0.00 177.43 176.29 1sjj h THR 341 N -0.01 0.61 -0.53 2.81 2.02 -0.92 -3.17 112.91 113.72 1sjj h THR 341 Ca 0.26 -0.13 -0.12 0.00 0.77 0.00 0.00 66.41 67.18 1sjj h THR 341 Cb 0.40 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1sjj h THR 341 CO -0.56 0.03 -0.14 0.25 0.37 0.00 0.00 175.52 175.47 1sjj h LEU 342 N -0.62 1.04 -0.31 2.58 7.12 -0.57 0.38 115.31 124.94 1sjj h LEU 342 Ca -0.06 -0.36 0.00 0.00 0.13 0.00 0.00 57.88 57.59 1sjj h LEU 342 Cb 0.46 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 1sjj h LEU 342 CO 0.09 1.16 0.00 0.00 -0.13 0.00 0.00 178.44 179.56 1sjj n GLN 343 N -4.14 0.12 -0.01 1.25 1.13 -0.21 -2.58 117.38 112.94 1sjj n GLN 343 Ca 0.01 0.30 -0.17 0.00 -1.94 0.00 0.00 57.00 55.20 1sjj n GLN 343 Cb 0.42 -1.70 -0.14 0.00 0.11 0.00 0.00 30.24 28.93 1sjj n GLN 343 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1sjj n THR 344 N -1.93 1.72 0.10 5.09 -1.04 -0.67 -3.45 114.28 114.10 1sjj n THR 344 Ca 0.03 -0.70 0.04 0.00 -2.04 0.00 0.00 64.05 61.38 1sjj n THR 344 Cb 0.25 -1.50 0.45 0.00 -1.82 0.00 0.00 70.33 67.71 1sjj n THR 344 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1sjj h LYS 345 N 0.05 0.32 0.00 -2.82 3.64 -0.75 -1.30 116.57 115.70 1sjj h LYS 345 Ca -0.39 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 58.75 1sjj h LYS 345 Cb 2.03 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.76 1sjj h LYS 345 CO 0.08 0.30 -1.15 -0.07 -2.27 0.00 0.00 179.45 176.34 1sjj h LEU 346 N 0.32 0.00 0.67 5.20 3.38 -1.70 -3.41 115.31 119.77 1sjj h LEU 346 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1sjj h LEU 346 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1sjj h LEU 346 CO -0.00 0.85 -0.32 -0.09 0.09 0.00 0.00 178.44 178.97 1sjj h ARG 347 N 0.00 -0.86 -6.99 1.13 2.43 -1.29 -1.99 114.38 106.80 1sjj h ARG 347 Ca -0.10 0.06 -0.45 0.00 -0.81 0.00 0.00 59.98 58.68 1sjj h ARG 347 Cb 1.74 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 31.47 1sjj h ARG 347 CO 0.09 -0.57 0.29 -1.17 -1.51 0.00 0.00 179.97 177.10 1sjj s LEU 348 N -8.25 3.96 0.00 3.80 1.98 -0.84 -3.76 118.68 115.58 1sjj s LEU 348 Ca -0.13 1.60 0.00 0.00 -2.89 0.00 0.00 54.13 52.71 1sjj s LEU 348 Cb 0.01 -4.45 0.00 0.00 0.66 0.00 0.00 46.19 42.42 1sjj s LEU 348 CO 0.39 -0.33 0.00 -1.54 -1.89 0.00 0.00 176.35 172.98 1sjj n SER 349 N -0.60 0.00 0.00 3.68 3.41 -1.26 -4.62 113.62 114.22 1sjj n SER 349 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1sjj n SER 349 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1sjj n SER 349 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sjj n ASN 350 N 3.83 0.00 -4.34 4.04 5.15 -0.78 -4.83 115.26 118.33 1sjj n ASN 350 Ca 0.00 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.81 1sjj n ASN 350 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1sjj n ASN 350 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sjj s ARG 351 N -1.35 1.34 1.22 1.20 1.70 -1.02 -5.01 118.95 117.03 1sjj s ARG 351 Ca 0.00 -1.67 -0.20 0.00 -0.47 0.00 0.00 55.73 53.38 1sjj s ARG 351 Cb 0.00 -0.69 0.30 0.00 -0.57 0.00 0.00 34.95 33.99 1sjj s ARG 351 CO 0.00 -0.06 1.11 -2.30 -1.08 0.00 0.00 175.30 172.97 1sjj n PRO 352 N -0.42 -3.06 0.00 3.89 -0.02 -1.26 -4.63 135.00 129.50 1sjj n PRO 352 Ca -0.06 -1.77 0.00 0.00 -2.02 0.00 0.00 63.50 59.66 1sjj n PRO 352 Cb 0.63 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1sjj n PRO 352 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sjj n ALA 353 N -4.82 0.00 -2.82 3.55 0.00 -1.26 -5.05 120.51 110.10 1sjj n ALA 353 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 1sjj n ALA 353 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 1sjj n ALA 353 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1sjj s PHE 354 N 1.97 0.34 -0.30 0.00 -0.71 -1.26 -5.14 117.98 112.88 1sjj s PHE 354 Ca 0.00 -0.70 -0.02 0.00 -1.04 0.00 0.00 56.93 55.17 1sjj s PHE 354 Cb 0.00 0.01 0.19 0.00 -1.21 0.00 0.00 43.02 42.01 1sjj s PHE 354 CO 0.00 -0.77 0.64 1.41 -1.34 0.00 0.00 175.22 175.17 1sjj s MET 355 N -3.96 0.53 0.37 1.99 1.75 -1.26 -5.13 119.30 113.59 1sjj s MET 355 Ca 0.17 0.92 0.08 0.00 -1.25 0.00 0.00 55.69 55.61 1sjj s MET 355 Cb 0.02 0.51 -0.07 0.00 2.84 0.00 0.00 34.83 38.14 1sjj s MET 355 CO 0.01 -0.60 -0.02 -1.25 -0.65 0.00 0.00 175.02 172.51 1sjj s PRO 356 N 2.87 1.95 -1.33 4.11 0.04 -1.26 -4.91 135.00 136.47 1sjj s PRO 356 Ca 0.18 -1.95 -0.02 0.00 0.04 0.00 0.00 61.00 59.25 1sjj s PRO 356 Cb -0.14 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1sjj s PRO 356 CO -0.20 0.05 0.78 0.43 0.04 0.00 0.00 177.00 178.10 1sjj n SER 357 N -0.92 -1.87 0.00 6.66 7.64 -1.26 -3.85 113.62 120.02 1sjj n SER 357 Ca -0.04 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1sjj n SER 357 Cb 0.65 -4.17 0.00 0.00 -1.01 0.00 0.00 64.21 59.68 1sjj n SER 357 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1sjj n GLU 358 N -4.34 0.00 0.00 1.43 0.00 -1.26 -3.05 120.64 113.42 1sjj n GLU 358 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.91 1sjj n GLU 358 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.09 1sjj n GLU 358 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sjj n GLY 359 N 0.00 0.66 0.79 8.31 0.00 -1.26 -2.83 105.19 110.86 1sjj n GLY 359 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1sjj n GLY 359 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sjj n LYS 360 N 0.36 2.06 -1.76 1.61 5.02 -1.17 -4.86 118.16 119.42 1sjj n LYS 360 Ca 0.00 -1.57 -0.41 0.00 -2.02 0.00 0.00 58.31 54.31 1sjj n LYS 360 Cb 0.12 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1sjj n LYS 360 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1sjj n MET 361 N 0.85 2.61 -0.28 1.97 2.81 -1.13 -4.86 117.12 119.10 1sjj n MET 361 Ca 0.17 0.92 0.17 0.00 -1.81 0.00 0.00 57.70 57.15 1sjj n MET 361 Cb 0.48 -2.63 0.45 0.00 -0.71 0.00 0.00 33.22 30.81 1sjj n MET 361 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1sjj h VAL 362 N 2.92 0.70 0.37 2.03 2.07 -1.94 -2.62 116.25 119.78 1sjj h VAL 362 Ca -0.50 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1sjj h VAL 362 Cb 1.25 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1sjj h VAL 362 CO 0.65 0.10 -0.25 -1.28 0.02 0.00 0.00 177.57 176.80 1sjj h SER 363 N 0.53 -0.65 0.29 0.57 0.87 -1.99 -3.22 113.55 109.95 1sjj h SER 363 Ca 0.50 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 1sjj h SER 363 Cb 1.07 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1sjj h SER 363 CO -0.23 -0.38 0.00 0.47 -0.53 0.00 0.00 176.83 176.16 1sjj n ASP 364 N -3.89 0.26 0.02 6.23 9.92 -0.99 -0.44 116.55 127.67 1sjj n ASP 364 Ca -0.07 0.59 0.12 0.00 -0.53 0.00 0.00 54.79 54.91 1sjj n ASP 364 Cb 0.25 -0.64 0.57 0.00 -0.64 0.00 0.00 41.12 40.67 1sjj n ASP 364 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1sjj h ILE 365 N 0.00 0.90 -0.23 0.53 2.04 -1.55 -0.56 117.51 118.65 1sjj h ILE 365 Ca 0.00 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1sjj h ILE 365 Cb 0.14 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1sjj h ILE 365 CO 0.00 0.04 0.03 -0.55 0.00 0.00 0.00 178.15 177.67 1sjj h ASN 366 N 0.22 0.37 -0.70 1.72 -0.00 -0.90 -2.58 115.58 113.71 1sjj h ASN 366 Ca 0.20 -0.28 -0.04 0.00 -0.00 0.00 0.00 56.30 56.18 1sjj h ASN 366 Cb 0.48 -0.10 -0.03 0.00 -0.00 0.00 0.00 38.32 38.67 1sjj h ASN 366 CO -0.04 0.55 0.29 0.78 -0.00 0.00 0.00 177.43 179.01 1sjj h ASN 367 N 0.17 0.98 -0.18 6.14 2.35 -1.38 -0.69 115.58 122.97 1sjj h ASN 367 Ca 0.07 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 1sjj h ASN 367 Cb 0.35 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1sjj h ASN 367 CO 0.01 0.87 -0.10 0.00 -1.65 0.00 0.00 177.43 176.55 1sjj h ALA 368 N 1.27 1.24 -0.17 -0.83 0.00 -1.19 -2.93 119.26 116.65 1sjj h ALA 368 Ca 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1sjj h ALA 368 Cb 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1sjj h ALA 368 CO -0.02 0.50 -0.06 2.35 0.00 0.00 0.00 179.25 182.02 1sjj h TRP 369 N 0.49 0.39 -0.61 0.00 2.91 -0.95 -1.57 115.95 116.61 1sjj h TRP 369 Ca 0.09 -0.09 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 1sjj h TRP 369 Cb 0.48 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.00 1sjj h TRP 369 CO 0.02 0.63 0.37 0.78 -1.03 0.00 0.00 178.44 179.20 1sjj h GLY 370 N 0.04 0.89 0.67 2.65 0.00 -1.19 0.11 103.07 106.23 1sjj h GLY 370 Ca 0.04 -0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.07 1sjj h GLY 370 CO 0.02 0.35 0.49 -1.33 0.00 0.00 0.00 176.54 176.08 1sjj h GLY 371 N 0.83 1.24 0.68 4.60 0.00 -1.53 0.26 103.07 109.15 1sjj h GLY 371 Ca 0.22 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1sjj h GLY 371 CO -0.04 0.22 -0.18 -2.00 0.00 0.00 0.00 176.54 174.54 1sjj h LEU 372 N 0.88 -0.49 -0.09 3.11 5.85 -0.47 -0.74 115.31 123.36 1sjj h LEU 372 Ca 0.37 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1sjj h LEU 372 Cb 0.22 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1sjj h LEU 372 CO -0.19 -0.25 0.00 -0.62 -0.34 0.00 0.00 178.44 177.04 1sjj n GLU 373 N -5.30 0.03 -0.03 1.25 -0.58 -0.05 -1.15 120.64 114.80 1sjj n GLU 373 Ca -0.06 0.24 -0.14 0.00 -0.42 0.00 0.00 57.16 56.78 1sjj n GLU 373 Cb 0.22 -1.56 -0.10 0.00 -0.57 0.00 0.00 31.44 29.44 1sjj n GLU 373 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1sjj h GLN 374 N 0.00 0.17 -0.57 3.49 1.08 -0.61 -3.33 115.11 115.34 1sjj h GLN 374 Ca 0.00 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1sjj h GLN 374 Cb 0.31 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1sjj h GLN 374 CO 0.00 0.72 0.38 0.00 -0.95 0.00 0.00 178.83 178.98 1sjj h ALA 375 N 0.45 1.60 -0.33 3.87 0.00 0.39 -1.27 119.26 123.97 1sjj h ALA 375 Ca -0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1sjj h ALA 375 Cb 0.72 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1sjj h ALA 375 CO 0.03 0.37 0.23 0.93 0.00 0.00 0.00 179.25 180.80 1sjj h GLU 376 N 0.77 0.22 -0.72 0.00 4.39 -1.53 -3.32 114.58 114.39 1sjj h GLU 376 Ca 0.21 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 1sjj h GLU 376 Cb -0.08 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 1sjj h GLU 376 CO -0.05 0.14 0.18 -0.22 -1.16 0.00 0.00 179.01 177.91 1sjj h LYS 377 N 0.22 1.14 -0.06 2.33 1.63 -1.33 -2.26 116.57 118.23 1sjj h LYS 377 Ca 0.15 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1sjj h LYS 377 Cb 0.30 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1sjj h LYS 377 CO -0.03 1.00 -0.08 0.41 -3.45 0.00 0.00 179.45 177.30 1sjj n GLY 378 N -0.68 4.79 0.15 5.01 0.00 -1.26 -4.62 105.19 108.58 1sjj n GLY 378 Ca 0.05 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 1sjj n GLY 378 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sjj h TYR 379 N 0.52 1.00 0.33 1.61 3.20 -1.61 -2.98 116.97 119.05 1sjj h TYR 379 Ca 0.01 -0.72 -0.02 0.00 3.14 0.00 0.00 58.73 61.15 1sjj h TYR 379 Cb 1.11 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1sjj h TYR 379 CO 0.26 1.56 -0.16 1.49 -1.64 0.00 0.00 178.16 179.67 1sjj h GLU 380 N 0.17 -0.43 -0.08 1.82 4.22 -1.82 -3.18 114.58 115.29 1sjj h GLU 380 Ca -0.25 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.20 1sjj h GLU 380 Cb 2.13 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.48 1sjj h GLU 380 CO 0.27 -0.29 -0.05 0.93 -2.18 0.00 0.00 179.01 177.70 1sjj h GLU 381 N -0.49 0.12 -0.18 1.92 4.39 -1.83 -2.61 114.58 115.90 1sjj h GLU 381 Ca -0.05 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.69 1sjj h GLU 381 Cb 0.34 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 1sjj h GLU 381 CO 0.07 0.18 -0.28 2.35 -1.16 0.00 0.00 179.01 180.17 1sjj h TRP 382 N 0.12 -0.76 -0.43 4.33 7.01 -1.59 -1.57 115.95 123.05 1sjj h TRP 382 Ca 0.03 0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.14 1sjj h TRP 382 Cb 0.16 0.36 -0.09 0.00 -2.10 0.00 0.00 29.16 27.50 1sjj h TRP 382 CO 0.00 -0.36 -0.44 -0.07 -2.79 0.00 0.00 178.44 174.78 1sjj h LEU 383 N -0.32 -1.47 -0.60 0.65 3.38 -1.44 -1.90 115.31 113.60 1sjj h LEU 383 Ca 0.11 0.22 -0.13 0.00 0.09 0.00 0.00 57.88 58.17 1sjj h LEU 383 Cb 0.50 0.64 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1sjj h LEU 383 CO -0.37 -0.37 -0.32 -0.07 0.09 0.00 0.00 178.44 177.40 1sjj h LEU 384 N -0.32 0.79 -0.78 1.67 3.38 -1.45 0.42 115.31 119.03 1sjj h LEU 384 Ca 0.14 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1sjj h LEU 384 Cb 0.58 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1sjj h LEU 384 CO -0.59 1.05 0.49 0.78 0.09 0.00 0.00 178.44 180.27 1sjj h ASN 385 N 0.64 0.82 -0.15 -0.43 2.35 -1.30 -2.56 115.58 114.95 1sjj h ASN 385 Ca 0.07 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1sjj h ASN 385 Cb 0.86 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1sjj h ASN 385 CO 0.07 0.57 0.03 -0.33 -1.65 0.00 0.00 177.43 176.12 1sjj h GLU 386 N 0.97 0.25 -0.40 0.81 4.39 -0.52 -1.89 114.58 118.18 1sjj h GLU 386 Ca 0.31 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 60.03 1sjj h GLU 386 Cb 0.01 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.53 1sjj h GLU 386 CO -0.11 0.42 -0.30 0.82 -1.16 0.00 0.00 179.01 178.68 1sjj h ILE 387 N 0.04 0.27 -0.00 3.13 1.08 -0.16 -0.11 117.51 121.75 1sjj h ILE 387 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 1sjj h ILE 387 Cb 0.29 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 1sjj h ILE 387 CO 0.00 0.00 -0.20 0.54 -0.69 0.00 0.00 178.15 177.81 1sjj n ARG 388 N -5.41 0.64 0.13 2.37 1.74 -0.97 -0.42 116.66 114.74 1sjj n ARG 388 Ca 0.01 -0.29 -0.06 0.00 -0.77 0.00 0.00 57.85 56.74 1sjj n ARG 388 Cb 0.33 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1sjj n ARG 388 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1sjj h ARG 389 N 0.71 -0.38 -0.64 5.56 2.43 -0.92 -3.30 114.38 117.84 1sjj h ARG 389 Ca 0.00 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1sjj h ARG 389 Cb 0.43 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 1sjj h ARG 389 CO 0.00 -0.25 0.41 -0.07 -1.51 0.00 0.00 179.97 178.55 1sjj h LEU 390 N -0.94 0.70 -0.08 3.80 3.38 -0.82 -1.61 115.31 119.73 1sjj h LEU 390 Ca -0.04 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1sjj h LEU 390 Cb 0.30 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1sjj h LEU 390 CO 0.07 0.49 -0.43 -0.08 0.09 0.00 0.00 178.44 178.58 1sjj h GLU 391 N 0.83 -0.51 -0.90 1.13 4.22 -0.96 -2.16 114.58 116.23 1sjj h GLU 391 Ca 0.25 0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.80 1sjj h GLU 391 Cb -0.04 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1sjj h GLU 391 CO -0.08 -0.34 0.59 -0.09 -2.18 0.00 0.00 179.01 176.91 1sjj h ARG 392 N -0.53 0.93 0.14 1.92 2.43 -1.56 -2.25 114.38 115.47 1sjj h ARG 392 Ca 0.06 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1sjj h ARG 392 Cb 0.64 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1sjj h ARG 392 CO -0.37 0.62 -0.35 -0.07 -1.51 0.00 0.00 179.97 178.28 1sjj h LEU 393 N 0.96 -1.04 -0.90 3.80 -0.00 -0.82 -3.03 115.31 114.28 1sjj h LEU 393 Ca 0.41 0.10 0.05 0.00 -0.00 0.00 0.00 57.88 58.45 1sjj h LEU 393 Cb 0.32 0.37 -0.06 0.00 -0.00 0.00 0.00 40.66 41.29 1sjj h LEU 393 CO -0.17 -0.39 0.57 0.44 -0.00 0.00 0.00 178.44 178.89 1sjj h ASP 394 N -0.55 0.92 -0.31 -0.43 3.32 -1.19 0.93 116.42 119.11 1sjj h ASP 394 Ca -0.01 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1sjj h ASP 394 Cb 0.53 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1sjj h ASP 394 CO -0.16 0.60 0.17 -0.74 -1.72 0.00 0.00 179.24 177.40 1sjj h HIS 395 N 1.06 0.42 -0.07 4.55 2.76 -1.48 0.47 115.15 122.86 1sjj h HIS 395 Ca 0.38 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.47 1sjj h HIS 395 Cb 0.12 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1sjj h HIS 395 CO -0.02 0.34 -0.31 -0.07 -1.30 0.00 0.00 177.93 176.57 1sjj h LEU 396 N 0.38 0.13 -1.45 0.26 3.38 -1.25 0.69 115.31 117.47 1sjj h LEU 396 Ca 0.11 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1sjj h LEU 396 Cb 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1sjj h LEU 396 CO -0.02 0.44 -0.03 0.00 0.09 0.00 0.00 178.44 178.93 1sjj h ALA 397 N 1.57 1.55 -0.02 1.53 0.00 -0.45 -0.83 119.26 122.62 1sjj h ALA 397 Ca 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1sjj h ALA 397 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1sjj h ALA 397 CO 0.04 0.33 -0.07 0.93 0.00 0.00 0.00 179.25 180.48 1sjj h GLU 398 N 0.31 0.08 -0.65 0.00 4.39 -0.59 -2.58 114.58 115.55 1sjj h GLU 398 Ca 0.07 -0.06 0.16 0.00 0.34 0.00 0.00 59.36 59.87 1sjj h GLU 398 Cb 0.27 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1sjj h GLU 398 CO 0.01 0.71 0.45 -0.22 -1.16 0.00 0.00 179.01 178.81 1sjj h LYS 399 N -0.54 0.16 0.06 2.33 3.64 -0.75 0.55 116.57 122.02 1sjj h LYS 399 Ca -0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1sjj h LYS 399 Cb 0.72 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1sjj h LYS 399 CO 0.01 0.10 -0.03 0.35 -2.27 0.00 0.00 179.45 177.62 1sjj h PHE 400 N 0.16 -0.07 -0.52 1.91 3.57 -1.18 -2.18 116.94 118.62 1sjj h PHE 400 Ca 0.31 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.83 1sjj h PHE 400 Cb 1.02 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1sjj h PHE 400 CO -0.00 0.13 0.34 0.00 -2.23 0.00 0.00 178.31 176.55 1sjj h ARG 401 N -0.27 0.66 0.00 1.11 2.47 -0.52 -1.77 114.38 116.06 1sjj h ARG 401 Ca -0.01 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1sjj h ARG 401 Cb 0.24 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1sjj h ARG 401 CO 0.01 0.44 0.00 1.04 0.56 0.00 0.00 179.97 182.02 1sjj n GLN 402 N -4.75 0.00 0.11 0.04 1.13 -0.44 -2.69 117.38 110.78 1sjj n GLN 402 Ca 0.03 0.41 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 1sjj n GLN 402 Cb 0.04 -1.37 0.30 0.00 0.11 0.00 0.00 30.24 29.32 1sjj n GLN 402 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1sjj h LYS 403 N 0.00 0.22 -0.55 -1.09 1.57 -1.48 -2.53 116.57 112.71 1sjj h LYS 403 Ca 0.00 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1sjj h LYS 403 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1sjj h LYS 403 CO 0.00 0.50 0.14 0.00 -0.57 0.00 0.00 179.45 179.52 1sjj h ALA 404 N 1.51 0.72 -0.31 3.86 0.00 -1.44 -1.62 119.26 121.98 1sjj h ALA 404 Ca 0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1sjj h ALA 404 Cb 0.63 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1sjj h ALA 404 CO 0.05 0.41 -0.09 0.77 0.00 0.00 0.00 179.25 180.39 1sjj h SER 405 N 0.77 0.61 0.79 0.00 0.02 -1.46 -3.10 113.55 111.18 1sjj h SER 405 Ca 0.17 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1sjj h SER 405 Cb 0.33 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1sjj h SER 405 CO 0.00 0.84 -0.03 0.16 -1.14 0.00 0.00 176.83 176.66 1sjj h ILE 406 N 0.37 0.10 -0.06 3.27 -0.00 -1.34 -1.85 117.51 118.00 1sjj h ILE 406 Ca 0.08 -0.49 -0.01 0.00 -0.00 0.00 0.00 64.86 64.44 1sjj h ILE 406 Cb 0.58 1.44 -0.00 0.00 -0.00 0.00 0.00 36.82 38.84 1sjj h ILE 406 CO 0.03 0.03 0.00 -0.74 -0.00 0.00 0.00 178.15 177.47 1sjj h HIS 407 N 0.00 0.12 0.00 0.16 2.76 -1.22 -2.93 115.15 114.04 1sjj h HIS 407 Ca -0.00 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1sjj h HIS 407 Cb 0.44 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 1sjj h HIS 407 CO 0.00 0.39 -0.03 1.05 -1.30 0.00 0.00 177.93 178.04 1sjj h GLU 408 N -0.17 0.00 0.00 5.26 4.11 -1.45 -1.45 114.58 120.87 1sjj h GLU 408 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1sjj h GLU 408 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1sjj h GLU 408 CO 0.00 0.03 0.00 0.66 0.07 0.00 0.00 179.01 179.77 1sjj h SER 409 N 0.00 0.00 0.61 3.06 4.64 -1.26 0.24 113.55 120.84 1sjj h SER 409 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sjj h SER 409 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1sjj h SER 409 CO 0.00 0.00 -1.01 1.87 -0.87 0.00 0.00 176.83 176.82 1sjj n TRP 410 N -2.85 0.46 -0.04 4.77 -0.00 -0.58 -4.43 117.44 114.77 1sjj n TRP 410 Ca -0.01 0.13 -0.09 0.00 -0.00 0.00 0.00 57.50 57.53 1sjj n TRP 410 Cb 0.13 -0.60 -0.14 0.00 -0.00 0.00 0.00 31.31 30.70 1sjj n TRP 410 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 1sjj n THR 411 N -2.17 1.54 -1.81 5.87 -2.24 -0.11 -4.56 114.28 110.80 1sjj n THR 411 Ca 0.01 -0.81 -0.20 0.00 -2.27 0.00 0.00 64.05 60.78 1sjj n THR 411 Cb 0.47 -0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 67.76 1sjj n THR 411 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sjj s ASP 412 N -5.93 4.51 0.00 3.42 1.01 -0.16 -2.74 116.67 116.79 1sjj s ASP 412 Ca -0.06 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 52.86 1sjj s ASP 412 Cb 0.07 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1sjj s ASP 412 CO 0.83 -3.33 0.00 0.61 0.21 0.00 0.00 175.17 173.49 1sjj n GLY 413 N 6.82 1.18 0.00 0.21 0.00 -1.26 -4.99 105.19 107.15 1sjj n GLY 413 Ca 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1sjj n GLY 413 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sjj n LYS 414 N 0.00 0.00 -0.19 1.61 4.76 -1.11 -1.57 118.16 121.67 1sjj n LYS 414 Ca 0.00 0.32 -0.00 0.00 -2.87 0.00 0.00 58.31 55.76 1sjj n LYS 414 Cb 0.00 -0.53 0.09 0.00 -1.84 0.00 0.00 35.03 32.76 1sjj n LYS 414 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1sjj h GLU 415 N 0.00 0.28 -0.56 1.97 4.39 -1.96 0.31 114.58 119.01 1sjj h GLU 415 Ca 0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1sjj h GLU 415 Cb 0.00 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1sjj h GLU 415 CO 0.00 0.18 0.33 0.00 -1.16 0.00 0.00 179.01 178.36 1sjj h ALA 416 N 1.43 0.72 -0.05 3.43 0.00 -1.78 -1.91 119.26 121.11 1sjj h ALA 416 Ca 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1sjj h ALA 416 Cb 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1sjj h ALA 416 CO -0.35 0.21 -0.01 1.98 0.00 0.00 0.00 179.25 181.09 1sjj h MET 417 N 0.76 0.09 -0.78 0.00 1.85 -0.73 -3.33 114.93 112.78 1sjj h MET 417 Ca 0.20 -0.03 0.12 0.00 -0.61 0.00 0.00 59.70 59.38 1sjj h MET 417 Cb 0.01 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 31.98 1sjj h MET 417 CO -0.04 0.40 0.51 -0.07 -0.40 0.00 0.00 176.91 177.32 1sjj h LEU 418 N -0.23 0.54 -0.94 3.39 3.38 -0.20 -3.12 115.31 118.13 1sjj h LEU 418 Ca 0.01 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1sjj h LEU 418 Cb 0.36 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1sjj h LEU 418 CO 0.00 0.30 0.61 -0.61 0.09 0.00 0.00 178.44 178.83 1sjj h GLN 419 N 0.59 1.12 -6.97 1.13 -0.00 -1.46 -3.46 115.11 106.06 1sjj h GLN 419 Ca 0.38 -0.07 -0.54 0.00 -0.00 0.00 0.00 58.65 58.42 1sjj h GLN 419 Cb 0.65 -0.25 0.11 0.00 0.00 0.00 0.00 27.48 27.99 1sjj h GLN 419 CO -0.14 0.74 0.74 -0.65 0.00 0.00 0.00 178.83 179.52 1sjj s GLN 420 N -6.08 3.88 -0.79 1.69 -1.52 -1.18 -4.89 119.66 110.77 1sjj s GLN 420 Ca -0.13 2.50 -0.02 0.00 -1.95 0.00 0.00 55.36 55.76 1sjj s GLN 420 Cb 0.18 -2.80 0.30 0.00 -0.22 0.00 0.00 33.01 30.47 1sjj s GLN 420 CO 0.81 -0.69 2.15 1.63 -0.25 0.00 0.00 175.29 178.94 1sjj n LYS 421 N 0.11 2.75 0.27 2.91 5.02 -1.26 -4.68 118.16 123.28 1sjj n LYS 421 Ca 0.03 -3.34 0.13 0.00 -2.02 0.00 0.00 58.31 53.10 1sjj n LYS 421 Cb 0.40 -2.25 0.81 0.00 -0.02 0.00 0.00 35.03 33.97 1sjj n LYS 421 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1sjj h ASP 422 N 3.03 0.00 1.66 4.39 2.03 -1.92 -2.00 116.42 123.61 1sjj h ASP 422 Ca 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.84 1sjj h ASP 422 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1sjj h ASP 422 CO 1.34 0.00 -0.20 0.10 -1.03 0.00 0.00 179.24 179.45 1sjj h TYR 423 N 0.00 0.00 0.05 4.15 -0.00 -1.98 -3.32 116.97 115.88 1sjj h TYR 423 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.66 1sjj h TYR 423 Cb 0.04 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.78 1sjj h TYR 423 CO 0.00 0.00 -0.35 0.93 -0.00 0.00 0.00 178.16 178.74 1sjj h GLU 424 N 0.00 0.11 -3.27 0.10 4.39 -1.75 -3.42 114.58 110.73 1sjj h GLU 424 Ca 0.00 -0.18 -0.80 0.00 0.34 0.00 0.00 59.36 58.72 1sjj h GLU 424 Cb 0.93 0.07 -0.26 0.00 -0.10 0.00 0.00 28.75 29.39 1sjj h GLU 424 CO 0.00 1.09 0.91 0.25 -1.16 0.00 0.00 179.01 180.10 1sjj n THR 425 N -4.42 4.96 -1.05 1.13 -2.24 -1.23 -3.67 114.28 107.76 1sjj n THR 425 Ca -0.12 -5.52 0.00 0.00 -2.27 0.00 0.00 64.05 56.14 1sjj n THR 425 Cb 0.61 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.58 1sjj n THR 425 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sjj n ALA 426 N 2.26 0.00 -2.29 6.98 0.00 -1.26 -4.95 120.51 121.25 1sjj n ALA 426 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.64 1sjj n ALA 426 Cb 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 1sjj n ALA 426 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sjj s THR 427 N -1.09 0.19 0.18 0.00 -4.23 -1.26 -4.33 115.64 105.10 1sjj s THR 427 Ca 0.00 -1.57 -0.20 0.00 -1.18 0.00 0.00 61.69 58.75 1sjj s THR 427 Cb 0.00 -1.35 0.12 0.00 1.34 0.00 0.00 72.50 72.61 1sjj s THR 427 CO 0.00 -0.87 1.61 0.25 -0.54 0.00 0.00 174.62 175.07 1sjj h LEU 428 N 3.22 -0.90 -0.54 4.79 5.85 -1.97 0.24 115.31 126.00 1sjj h LEU 428 Ca -0.34 0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.68 1sjj h LEU 428 Cb 1.16 0.46 -0.10 0.00 0.37 0.00 0.00 40.66 42.55 1sjj h LEU 428 CO 0.61 -0.27 -0.15 0.77 -0.34 0.00 0.00 178.44 179.06 1sjj h SER 429 N -0.16 -0.54 -0.13 1.25 4.64 -2.00 -2.95 113.55 113.67 1sjj h SER 429 Ca 0.22 0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.66 1sjj h SER 429 Cb 0.50 0.35 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1sjj h SER 429 CO -0.57 -0.19 -0.10 -0.33 -0.87 0.00 0.00 176.83 174.77 1sjj h GLU 430 N -0.01 0.30 -0.30 4.77 4.39 -1.57 -1.59 114.58 120.58 1sjj h GLU 430 Ca 0.26 -0.15 0.06 0.00 0.34 0.00 0.00 59.36 59.88 1sjj h GLU 430 Cb 0.41 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.99 1sjj h GLU 430 CO -0.56 0.67 -0.11 0.97 -1.16 0.00 0.00 179.01 178.82 1sjj h ILE 431 N -0.06 0.63 -0.70 3.13 6.09 -1.03 -1.61 117.51 123.97 1sjj h ILE 431 Ca 0.03 0.00 0.05 0.00 -1.37 0.00 0.00 64.86 63.57 1sjj h ILE 431 Cb 0.59 0.63 -0.05 0.00 0.47 0.00 0.00 36.82 38.46 1sjj h ILE 431 CO 0.03 0.00 0.41 0.11 -3.07 0.00 0.00 178.15 175.62 1sjj h LYS 432 N -0.05 0.74 -0.50 2.19 1.57 -1.57 -0.33 116.57 118.62 1sjj h LYS 432 Ca 0.15 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1sjj h LYS 432 Cb 0.27 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 1sjj h LYS 432 CO -0.33 0.49 0.18 0.00 -0.57 0.00 0.00 179.45 179.22 1sjj h ALA 433 N 1.35 0.62 0.00 3.86 0.00 -0.99 0.72 119.26 124.82 1sjj h ALA 433 Ca 0.31 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1sjj h ALA 433 Cb 0.15 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sjj h ALA 433 CO -0.17 -0.21 -0.19 -0.07 0.00 0.00 0.00 179.25 178.61 1sjj h LEU 434 N 0.36 0.00 0.05 0.00 3.38 -0.86 -1.61 115.31 116.62 1sjj h LEU 434 Ca 0.24 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.97 1sjj h LEU 434 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1sjj h LEU 434 CO -0.25 0.19 -1.14 0.25 0.09 0.00 0.00 178.44 177.58 1sjj h LEU 435 N 0.00 0.15 -0.90 1.67 5.85 -0.36 0.41 115.31 122.12 1sjj h LEU 435 Ca -0.00 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.43 1sjj h LEU 435 Cb 0.40 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1sjj h LEU 435 CO 0.02 1.13 -0.50 0.11 -0.34 0.00 0.00 178.44 178.87 1sjj h LYS 436 N 0.03 0.12 -0.75 1.25 1.57 -0.81 -2.08 116.57 115.90 1sjj h LYS 436 Ca -0.08 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1sjj h LYS 436 Cb 1.86 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.14 1sjj h LYS 436 CO 0.15 0.59 0.27 0.87 -0.57 0.00 0.00 179.45 180.77 1sjj h LYS 437 N 0.10 1.14 -0.16 3.15 1.57 -1.32 -3.30 116.57 117.74 1sjj h LYS 437 Ca 0.00 -0.22 -0.15 0.00 -1.87 0.00 0.00 60.65 58.41 1sjj h LYS 437 Cb 0.91 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1sjj h LYS 437 CO 0.07 0.95 -0.53 1.25 -0.57 0.00 0.00 179.45 180.62 1sjj h HIS 438 N 1.09 0.57 0.00 -1.35 2.76 -0.51 0.69 115.15 118.39 1sjj h HIS 438 Ca 0.25 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1sjj h HIS 438 Cb 0.26 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1sjj h HIS 438 CO 0.02 0.89 0.00 0.93 -1.30 0.00 0.00 177.93 178.47 1sjj h GLU 439 N 0.36 0.00 0.00 5.26 4.39 -1.49 -0.80 114.58 122.30 1sjj h GLU 439 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1sjj h GLU 439 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1sjj h GLU 439 CO 0.09 0.00 -0.28 0.00 -1.16 0.00 0.00 179.01 177.66 1sjj h ALA 440 N 2.01 0.82 -1.20 3.43 0.00 -0.94 -2.34 119.26 121.04 1sjj h ALA 440 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sjj h ALA 440 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1sjj h ALA 440 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 179.25 179.59 1sjj n PHE 441 N -2.33 0.00 -0.25 0.00 7.35 -0.32 -2.68 117.46 119.23 1sjj n PHE 441 Ca 0.04 0.00 0.22 0.00 -0.76 0.00 0.00 57.45 56.95 1sjj n PHE 441 Cb 0.45 -0.30 0.40 0.00 0.35 0.00 0.00 39.48 40.39 1sjj n PHE 441 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1sjj n GLU 442 N -1.40 -0.05 0.00 -4.13 -0.58 -1.10 -0.85 120.64 112.53 1sjj n GLU 442 Ca 0.00 1.08 0.12 0.00 -0.42 0.00 0.00 57.16 57.94 1sjj n GLU 442 Cb 0.00 -1.89 0.16 0.00 -0.57 0.00 0.00 31.44 29.14 1sjj n GLU 442 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1sjj n SER 443 N -4.81 2.30 -0.04 1.62 2.88 -0.88 -1.36 113.62 113.34 1sjj n SER 443 Ca 0.27 -1.68 -0.13 0.00 -1.33 0.00 0.00 58.87 56.00 1sjj n SER 443 Cb 0.90 0.15 -0.11 0.00 -0.75 0.00 0.00 64.21 64.41 1sjj n SER 443 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1sjj h ASP 444 N 3.36 -0.02 -0.77 -3.46 -0.00 -0.83 -3.40 116.42 111.30 1sjj h ASP 444 Ca 0.00 -0.73 0.16 0.00 -0.00 0.00 0.00 57.03 56.46 1sjj h ASP 444 Cb 0.81 0.01 -0.10 0.00 -0.00 0.00 0.00 39.33 40.04 1sjj h ASP 444 CO 0.00 0.75 0.28 0.25 -0.00 0.00 0.00 179.24 180.51 1sjj h LEU 445 N -0.82 0.21 -1.28 2.28 7.12 -0.99 -2.00 115.31 119.84 1sjj h LEU 445 Ca -0.00 0.13 0.10 0.00 0.13 0.00 0.00 57.88 58.24 1sjj h LEU 445 Cb 0.74 0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 40.94 1sjj h LEU 445 CO 0.00 0.05 0.55 0.00 -0.13 0.00 0.00 178.44 178.91 1sjj h ALA 446 N 1.59 1.72 -0.33 1.25 0.00 -1.42 -3.08 119.26 118.99 1sjj h ALA 446 Ca 0.44 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 1sjj h ALA 446 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1sjj h ALA 446 CO -0.45 0.10 -0.16 0.00 0.00 0.00 0.00 179.25 178.74 1sjj h ALA 447 N 1.58 0.46 0.00 0.00 0.00 -1.59 -3.17 119.26 116.54 1sjj h ALA 447 Ca 0.39 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sjj h ALA 447 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1sjj h ALA 447 CO -0.16 0.38 0.00 0.72 0.00 0.00 0.00 179.25 180.18 1sjj n HIS 448 N -4.35 0.00 -0.07 0.00 8.25 -1.16 -3.11 115.22 114.78 1sjj n HIS 448 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 1sjj n HIS 448 Cb 0.39 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 1sjj n HIS 448 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1sjj h GLN 449 N 0.00 0.51 -0.97 -0.41 -0.00 -1.62 -3.05 115.11 109.56 1sjj h GLN 449 Ca 0.00 -0.26 0.15 0.00 -0.00 0.00 0.00 58.65 58.54 1sjj h GLN 449 Cb 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 27.48 27.40 1sjj h GLN 449 CO 0.00 0.84 0.61 0.22 0.00 0.00 0.00 178.83 180.50 1sjj h ASP 450 N 0.19 0.79 -0.73 -0.69 -0.00 -1.77 -1.81 116.42 112.40 1sjj h ASP 450 Ca 0.04 0.06 -0.02 0.00 -0.00 0.00 0.00 57.03 57.10 1sjj h ASP 450 Cb 0.73 -0.10 -0.03 0.00 -0.00 0.00 0.00 39.33 39.93 1sjj h ASP 450 CO 0.05 0.38 0.38 -0.09 -0.00 0.00 0.00 179.24 179.96 1sjj h ARG 451 N 0.83 1.04 -0.83 0.28 2.43 -1.72 0.01 114.38 116.41 1sjj h ARG 451 Ca 0.50 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 1sjj h ARG 451 Cb 0.68 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 1sjj h ARG 451 CO -0.27 0.79 0.43 0.28 -1.51 0.00 0.00 179.97 179.70 1sjj h VAL 452 N 1.01 1.25 0.66 0.20 2.07 -1.33 -1.16 116.25 118.95 1sjj h VAL 452 Ca 0.25 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1sjj h VAL 452 Cb 0.08 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1sjj h VAL 452 CO -0.04 0.29 -0.32 -0.33 0.02 0.00 0.00 177.57 177.19 1sjj h GLU 453 N 1.17 -0.86 -0.95 1.57 4.39 -1.29 -1.92 114.58 116.69 1sjj h GLU 453 Ca 0.29 0.06 0.03 0.00 0.34 0.00 0.00 59.36 60.07 1sjj h GLU 453 Cb 0.06 0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 1sjj h GLU 453 CO -0.04 -0.54 0.62 1.96 -1.16 0.00 0.00 179.01 179.85 1sjj h GLN 454 N -1.17 1.20 -0.48 2.33 1.08 -0.98 -1.17 115.11 115.92 1sjj h GLN 454 Ca -0.09 -0.07 0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1sjj h GLN 454 Cb 0.71 -0.27 -0.09 0.00 -0.05 0.00 0.00 27.48 27.78 1sjj h GLN 454 CO 0.15 0.79 -0.10 0.82 -0.95 0.00 0.00 178.83 179.54 1sjj h ILE 455 N 1.23 0.53 0.00 2.54 2.04 -1.29 -2.54 117.51 120.03 1sjj h ILE 455 Ca 0.37 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.22 1sjj h ILE 455 Cb -0.06 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1sjj h ILE 455 CO -0.10 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.05 1sjj n ALA 456 N -2.80 -0.36 -0.34 1.87 0.00 -0.53 -2.47 120.51 115.87 1sjj n ALA 456 Ca 0.04 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.67 1sjj n ALA 456 Cb 0.26 0.04 0.42 0.00 0.00 0.00 0.00 19.45 20.16 1sjj n ALA 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjj h ALA 457 N -1.94 1.91 -0.19 0.00 0.00 -1.37 0.13 119.26 117.79 1sjj h ALA 457 Ca 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1sjj h ALA 457 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sjj h ALA 457 CO 0.00 -0.37 -0.46 0.82 0.00 0.00 0.00 179.25 179.24 1sjj h ILE 458 N 0.53 1.32 -0.29 0.00 2.04 -1.59 -0.21 117.51 119.32 1sjj h ILE 458 Ca 0.64 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1sjj h ILE 458 Cb 1.31 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.26 1sjj h ILE 458 CO -0.43 0.53 0.16 0.00 0.00 0.00 0.00 178.15 178.40 1sjj h ALA 459 N 0.59 1.72 0.10 1.87 0.00 -0.89 -0.75 119.26 121.89 1sjj h ALA 459 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sjj h ALA 459 Cb 1.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1sjj h ALA 459 CO 0.10 0.24 -0.05 0.37 0.00 0.00 0.00 179.25 179.91 1sjj h GLN 460 N 0.40 -0.12 -0.73 0.00 -0.00 -0.60 -1.43 115.11 112.64 1sjj h GLN 460 Ca 0.11 0.01 0.14 0.00 -0.00 0.00 0.00 58.65 58.91 1sjj h GLN 460 Cb 0.02 0.03 -0.10 0.00 0.00 0.00 0.00 27.48 27.43 1sjj h GLN 460 CO -0.02 0.24 0.26 1.49 0.00 0.00 0.00 178.83 180.80 1sjj h GLU 461 N -0.51 0.38 -0.64 1.69 4.81 -0.81 -1.86 114.58 117.63 1sjj h GLU 461 Ca -0.01 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1sjj h GLU 461 Cb 0.42 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 1sjj h GLU 461 CO 0.02 0.25 0.37 1.25 -0.73 0.00 0.00 179.01 180.17 1sjj h LEU 462 N 0.39 0.57 0.02 1.64 5.85 -1.05 -3.20 115.31 119.53 1sjj h LEU 462 Ca 0.40 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.17 1sjj h LEU 462 Cb 0.62 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1sjj h LEU 462 CO -0.42 0.38 -0.35 0.78 -0.34 0.00 0.00 178.44 178.49 1sjj h ASN 463 N 0.71 -1.04 -0.80 1.25 2.35 -0.38 -3.30 115.58 114.37 1sjj h ASN 463 Ca 0.27 0.13 0.23 0.00 -0.55 0.00 0.00 56.30 56.39 1sjj h ASN 463 Cb 0.11 0.41 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 1sjj h ASN 463 CO -0.15 -0.41 0.99 -0.33 -1.65 0.00 0.00 177.43 175.88 1sjj h GLU 464 N -0.52 0.00 -0.49 0.81 4.39 -1.54 -2.22 114.58 115.01 1sjj h GLU 464 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1sjj h GLU 464 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1sjj h GLU 464 CO -0.27 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 178.86 1sjj n LEU 465 N -3.31 5.25 -3.51 1.33 4.32 -1.24 -4.93 117.00 114.91 1sjj n LEU 465 Ca 0.17 -2.95 -0.19 0.00 -0.02 0.00 0.00 56.01 53.03 1sjj n LEU 465 Cb 1.24 -0.65 0.07 0.00 -1.62 0.00 0.00 43.42 42.46 1sjj n LEU 465 CO 0.23 0.65 0.03 0.47 -1.22 0.00 0.00 177.39 177.55 1sjj n ASP 466 N 0.33 -2.44 -4.74 -1.43 8.00 -0.84 -4.97 116.55 110.47 1sjj n ASP 466 Ca 0.26 -0.71 -0.41 0.00 0.71 0.00 0.00 54.79 54.63 1sjj n ASP 466 Cb 1.12 -4.71 -0.03 0.00 -0.02 0.00 0.00 41.12 37.48 1sjj n ASP 466 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1sjj s TYR 467 N -3.47 3.22 0.16 1.24 5.04 -1.23 -4.98 117.35 117.33 1sjj s TYR 467 Ca 0.08 1.16 -0.16 0.00 -2.44 0.00 0.00 57.07 55.71 1sjj s TYR 467 Cb -0.01 -3.64 0.04 0.00 0.35 0.00 0.00 41.96 38.69 1sjj s TYR 467 CO 0.76 -2.06 1.81 0.10 -1.34 0.00 0.00 175.55 174.83 1sjj h TYR 468 N 5.51 0.52 -0.43 4.97 -0.00 -1.93 -2.67 116.97 122.94 1sjj h TYR 468 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.30 1sjj h TYR 468 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 36.73 37.77 1sjj h TYR 468 CO 0.62 0.32 0.00 -3.47 -0.00 0.00 0.00 178.16 175.63 1sjj n ASP 469 N -4.81 2.69 -0.13 0.10 2.03 -1.26 -4.61 116.55 110.55 1sjj n ASP 469 Ca 0.01 -2.11 -0.04 0.00 0.52 0.00 0.00 54.79 53.17 1sjj n ASP 469 Cb 0.04 -0.36 0.04 0.00 -0.72 0.00 0.00 41.12 40.12 1sjj n ASP 469 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1sjj h SER 470 N 2.57 -0.03 0.27 1.67 4.64 -1.87 -0.61 113.55 120.19 1sjj h SER 470 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1sjj h SER 470 Cb 0.76 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1sjj h SER 470 CO 0.06 0.02 0.00 -2.65 -0.87 0.00 0.00 176.83 173.39 1sjj n PRO 471 N -5.12 0.02 -0.10 4.77 -0.02 -1.26 -2.06 135.00 131.22 1sjj n PRO 471 Ca 0.04 0.33 -0.19 0.00 -2.02 0.00 0.00 63.50 61.66 1sjj n PRO 471 Cb 0.21 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.11 1sjj n PRO 471 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1sjj n SER 472 N -1.47 1.88 -0.19 2.55 7.64 -0.34 -3.76 113.62 119.94 1sjj n SER 472 Ca 0.02 0.44 -0.07 0.00 1.01 0.00 0.00 58.87 60.27 1sjj n SER 472 Cb 0.09 -0.89 0.03 0.00 -1.01 0.00 0.00 64.21 62.43 1sjj n SER 472 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1sjj h VAL 473 N -1.00 1.17 -0.00 0.44 -1.51 -1.19 0.76 116.25 114.92 1sjj h VAL 473 Ca -0.33 -0.40 0.02 0.00 -1.23 0.00 0.00 66.70 64.76 1sjj h VAL 473 Cb 1.19 0.43 -0.03 0.00 -2.13 0.00 0.00 31.29 30.75 1sjj h VAL 473 CO -0.20 0.18 -0.14 0.78 -1.23 0.00 0.00 177.57 176.96 1sjj h ASN 474 N 0.75 -0.41 0.05 4.19 4.21 -1.66 0.44 115.58 123.13 1sjj h ASN 474 Ca 0.20 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.76 1sjj h ASN 474 Cb 0.00 0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1sjj h ASN 474 CO -0.04 -0.20 -0.04 0.00 -1.29 0.00 0.00 177.43 175.86 1sjj h ALA 475 N 0.71 1.89 0.06 -0.83 0.00 -1.57 0.17 119.26 119.69 1sjj h ALA 475 Ca 0.05 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1sjj h ALA 475 Cb 0.30 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1sjj h ALA 475 CO -0.14 0.05 -0.80 -0.09 0.00 0.00 0.00 179.25 178.27 1sjj h ARG 476 N 0.00 0.43 -0.44 0.00 1.12 -0.49 -3.36 114.38 111.64 1sjj h ARG 476 Ca -0.00 -0.55 -0.14 0.00 -1.11 0.00 0.00 59.98 58.19 1sjj h ARG 476 Cb 0.08 0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1sjj h ARG 476 CO 0.01 1.20 -0.27 0.00 -3.11 0.00 0.00 179.97 177.80 1sjj h GLN 478 N 0.80 0.75 0.00 0.00 4.20 -0.88 -2.06 115.11 117.92 1sjj h GLN 478 Ca 0.09 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1sjj h GLN 478 Cb 0.84 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1sjj h GLN 478 CO 0.07 1.06 0.00 0.87 -0.67 0.00 0.00 178.83 180.17 1sjj h LYS 479 N 0.59 0.00 -0.07 1.46 1.57 -1.70 0.20 116.57 118.62 1sjj h LYS 479 Ca 0.03 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 1sjj h LYS 479 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1sjj h LYS 479 CO 0.10 0.00 -0.73 0.82 -0.57 0.00 0.00 179.45 179.08 1sjj h ILE 480 N 0.00 1.39 0.15 1.86 2.04 -1.36 -2.77 117.51 118.82 1sjj h ILE 480 Ca 0.00 -2.17 -0.35 0.00 1.00 0.00 0.00 64.86 63.34 1sjj h ILE 480 Cb 0.09 2.14 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1sjj h ILE 480 CO 0.00 0.65 -1.81 0.00 0.00 0.00 0.00 178.15 176.98 1sjj h ASP 482 N 0.09 0.00 0.05 0.00 3.32 -0.84 -1.51 116.42 117.51 1sjj h ASP 482 Ca -0.36 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 1sjj h ASP 482 Cb 2.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.62 1sjj h ASP 482 CO 0.14 0.03 -0.35 -0.61 -1.72 0.00 0.00 179.24 176.73 1sjj h GLN 483 N 0.00 0.15 -0.17 3.56 4.15 -1.52 -3.36 115.11 117.93 1sjj h GLN 483 Ca -0.00 -0.23 0.02 0.00 0.77 0.00 0.00 58.65 59.21 1sjj h GLN 483 Cb 0.06 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1sjj h GLN 483 CO 0.00 1.06 0.06 2.35 -1.93 0.00 0.00 178.83 180.37 1sjj h TRP 484 N -0.64 0.10 -0.81 3.99 2.91 -0.31 0.15 115.95 121.34 1sjj h TRP 484 Ca -0.06 0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.10 1sjj h TRP 484 Cb 1.22 -0.02 -0.09 0.00 -0.51 0.00 0.00 29.16 29.76 1sjj h TRP 484 CO 0.22 0.05 0.41 0.22 -1.03 0.00 0.00 178.44 178.31 1sjj h ASP 485 N 0.14 0.50 -0.08 2.65 3.58 -1.56 0.11 116.42 121.76 1sjj h ASP 485 Ca 0.07 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1sjj h ASP 485 Cb 0.04 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 1sjj h ASP 485 CO -0.07 0.23 0.02 -1.13 -2.88 0.00 0.00 179.24 175.41 1sjj h ASN 486 N 0.61 0.12 -0.25 2.28 -1.24 -1.61 0.61 115.58 116.10 1sjj h ASN 486 Ca 0.43 -0.22 0.06 0.00 0.71 0.00 0.00 56.30 57.28 1sjj h ASN 486 Cb 0.57 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.53 1sjj h ASN 486 CO -0.34 0.31 -0.14 0.25 -1.29 0.00 0.00 177.43 176.22 1sjj h LEU 487 N -0.07 -0.48 0.03 0.34 7.12 0.33 0.27 115.31 122.85 1sjj h LEU 487 Ca 0.03 0.11 0.02 0.00 0.13 0.00 0.00 57.88 58.17 1sjj h LEU 487 Cb 0.23 0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.59 1sjj h LEU 487 CO -0.00 -0.18 -0.17 1.23 -0.13 0.00 0.00 178.44 179.18 1sjj h GLY 488 N -0.12 -0.25 0.51 3.75 0.00 -0.84 -3.01 103.07 103.11 1sjj h GLY 488 Ca 0.14 0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.71 1sjj h GLY 488 CO -0.33 -0.17 -0.15 0.00 0.00 0.00 0.00 176.54 175.89 1sjj h ALA 489 N 0.60 -0.11 -0.41 3.60 0.00 -0.09 -1.90 119.26 120.95 1sjj h ALA 489 Ca 0.05 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1sjj h ALA 489 Cb 0.36 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1sjj h ALA 489 CO -0.15 -0.62 0.07 1.25 0.00 0.00 0.00 179.25 179.81 1sjj h LEU 490 N -0.21 -0.01 -1.09 0.00 7.12 -0.51 -2.29 115.31 118.31 1sjj h LEU 490 Ca 0.08 0.07 -0.08 0.00 0.13 0.00 0.00 57.88 58.08 1sjj h LEU 490 Cb 0.32 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1sjj h LEU 490 CO -0.21 0.03 -0.26 0.74 -0.13 0.00 0.00 178.44 178.60 1sjj h THR 491 N 0.20 1.25 -0.32 1.05 2.02 -1.50 -0.80 112.91 114.81 1sjj h THR 491 Ca 0.20 -1.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 1sjj h THR 491 Cb 0.25 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1sjj h THR 491 CO -0.27 0.37 -0.00 -0.61 0.37 0.00 0.00 175.52 175.37 1sjj h GLN 492 N 0.28 0.49 0.00 6.66 -0.00 -0.81 0.15 115.11 121.88 1sjj h GLN 492 Ca 0.04 -0.10 -0.11 0.00 -0.00 0.00 0.00 58.65 58.49 1sjj h GLN 492 Cb 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.01 1sjj h GLN 492 CO 0.04 0.52 -0.51 0.87 0.00 0.00 0.00 178.83 179.76 1sjj h LYS 493 N 0.47 0.00 -0.25 1.69 1.79 -0.96 -2.66 116.57 116.65 1sjj h LYS 493 Ca 0.10 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.39 1sjj h LYS 493 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1sjj h LYS 493 CO 0.01 0.51 -0.55 -0.09 -1.08 0.00 0.00 179.45 178.25 1sjj h ARG 494 N 0.00 0.81 -0.45 3.15 2.43 -0.19 -2.28 114.38 117.85 1sjj h ARG 494 Ca -0.01 -0.54 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 1sjj h ARG 494 Cb 1.16 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1sjj h ARG 494 CO 0.07 1.17 0.24 -0.09 -1.51 0.00 0.00 179.97 179.85 1sjj h ARG 495 N 0.57 0.63 -0.23 0.20 2.43 -0.77 -1.62 114.38 115.58 1sjj h ARG 495 Ca 0.00 -0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1sjj h ARG 495 Cb 1.16 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1sjj h ARG 495 CO 0.12 0.50 0.17 0.93 -1.51 0.00 0.00 179.97 180.19 1sjj h GLU 496 N 0.59 0.00 -0.06 0.20 4.39 -1.49 0.20 114.58 118.41 1sjj h GLU 496 Ca 0.16 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.64 1sjj h GLU 496 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1sjj h GLU 496 CO -0.02 0.00 -0.85 0.00 -1.16 0.00 0.00 179.01 176.98 1sjj h ALA 497 N 1.87 0.40 -0.01 3.43 0.00 -0.75 -2.97 119.26 121.24 1sjj h ALA 497 Ca 0.11 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1sjj h ALA 497 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sjj h ALA 497 CO -0.00 0.75 -0.04 -0.07 0.00 0.00 0.00 179.25 179.90 1sjj h LEU 498 N 0.33 0.05 -2.95 0.00 3.38 -0.39 0.71 115.31 116.45 1sjj h LEU 498 Ca -0.06 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.30 1sjj h LEU 498 Cb 1.47 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1sjj h LEU 498 CO 0.15 0.65 -0.00 -0.33 0.09 0.00 0.00 178.44 179.01 1sjj h GLU 499 N -0.54 0.00 0.00 1.13 4.39 -1.17 -2.33 114.58 116.05 1sjj h GLU 499 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1sjj h GLU 499 Cb 0.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1sjj h GLU 499 CO 0.01 0.00 -0.29 -0.09 -1.16 0.00 0.00 179.01 177.48 1sjj h ARG 500 N 0.00 0.00 0.00 2.33 2.43 -1.44 -3.37 114.38 114.33 1sjj h ARG 500 Ca -0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1sjj h ARG 500 Cb 0.01 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1sjj h ARG 500 CO 0.00 0.04 -0.52 1.79 -1.51 0.00 0.00 179.97 179.76 1sjj h THR 501 N -1.00 1.32 -0.23 0.20 1.35 -0.72 -1.72 112.91 112.11 1sjj h THR 501 Ca -0.01 -1.83 0.02 0.00 -0.55 0.00 0.00 66.41 64.04 1sjj h THR 501 Cb 0.31 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 1sjj h THR 501 CO -0.00 0.51 0.10 -0.08 -0.25 0.00 0.00 175.52 175.80 1sjj h GLU 502 N 0.00 0.22 -0.65 4.72 4.22 -1.66 -2.98 114.58 118.46 1sjj h GLU 502 Ca -0.01 -0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.44 1sjj h GLU 502 Cb 0.96 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 1sjj h GLU 502 CO 0.07 0.15 0.41 -0.22 -2.18 0.00 0.00 179.01 177.24 1sjj h LYS 503 N 0.23 0.80 -0.16 1.92 3.64 -1.49 -0.23 116.57 121.29 1sjj h LYS 503 Ca 0.10 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1sjj h LYS 503 Cb 0.04 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1sjj h LYS 503 CO -0.08 0.53 0.07 -0.07 -2.27 0.00 0.00 179.45 177.64 1sjj h LEU 504 N 0.82 0.11 -1.48 5.20 3.38 -1.47 -1.68 115.31 120.20 1sjj h LEU 504 Ca 0.25 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1sjj h LEU 504 Cb -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1sjj h LEU 504 CO -0.08 0.09 0.00 -0.07 0.09 0.00 0.00 178.44 178.47 1sjj h LEU 505 N 0.16 0.00 -0.37 1.67 3.38 -1.38 -1.02 115.31 117.75 1sjj h LEU 505 Ca 0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1sjj h LEU 505 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1sjj h LEU 505 CO -0.04 0.00 -0.22 -0.33 0.09 0.00 0.00 178.44 177.93 1sjj h GLU 506 N 0.00 0.80 0.76 1.13 4.39 -0.78 -3.09 114.58 117.80 1sjj h GLU 506 Ca 0.00 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.29 1sjj h GLU 506 Cb 0.46 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1sjj h GLU 506 CO 0.00 1.00 -0.37 1.15 -1.16 0.00 0.00 179.01 179.63 1sjj h THR 507 N 0.60 0.23 -0.56 1.13 2.02 -0.59 -2.95 112.91 112.78 1sjj h THR 507 Ca 0.08 -0.05 0.11 0.00 0.77 0.00 0.00 66.41 67.31 1sjj h THR 507 Cb 0.78 0.24 -0.11 0.00 -1.74 0.00 0.00 68.15 67.32 1sjj h THR 507 CO 0.06 0.01 -0.19 0.40 0.37 0.00 0.00 175.52 176.17 1sjj h ILE 508 N -1.07 0.36 -0.24 3.11 2.04 -1.37 -1.85 117.51 118.50 1sjj h ILE 508 Ca -0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1sjj h ILE 508 Cb 0.80 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 1sjj h ILE 508 CO 0.17 0.00 -0.22 -0.78 0.00 0.00 0.00 178.15 177.32 1sjj h ASP 509 N -0.06 -0.71 1.10 1.72 -0.00 -1.57 -2.24 116.42 114.66 1sjj h ASP 509 Ca 0.26 0.13 -0.06 0.00 -0.00 0.00 0.00 57.03 57.36 1sjj h ASP 509 Cb 0.46 0.34 -0.01 0.00 -0.00 0.00 0.00 39.33 40.12 1sjj h ASP 509 CO -0.60 -0.26 -0.29 1.56 -0.00 0.00 0.00 179.24 179.64 1sjj h GLN 510 N -0.23 0.00 0.14 0.28 1.08 -1.24 0.10 115.11 115.24 1sjj h GLN 510 Ca 0.13 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.04 1sjj h GLN 510 Cb 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1sjj h GLN 510 CO -0.37 0.29 -1.38 -0.07 -0.95 0.00 0.00 178.83 176.35 1sjj h LEU 511 N 0.00 0.46 -1.45 1.46 4.07 -1.36 -2.86 115.31 115.62 1sjj h LEU 511 Ca -0.00 -0.54 0.15 0.00 0.08 0.00 0.00 57.88 57.56 1sjj h LEU 511 Cb 0.92 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.45 1sjj h LEU 511 CO 0.04 1.43 0.54 1.88 -1.08 0.00 0.00 178.44 181.25 1sjj h TYR 512 N 0.08 0.63 -0.02 1.13 0.05 -1.23 -2.08 116.97 115.52 1sjj h TYR 512 Ca -0.19 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.61 1sjj h TYR 512 Cb 2.01 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 39.55 1sjj h TYR 512 CO 0.07 0.23 0.01 1.25 -1.05 0.00 0.00 178.16 178.67 1sjj h LEU 513 N 0.53 0.03 -0.17 3.88 5.85 -0.65 -0.55 115.31 124.24 1sjj h LEU 513 Ca 0.41 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1sjj h LEU 513 Cb 0.81 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1sjj h LEU 513 CO -0.16 0.17 0.06 -0.33 -0.34 0.00 0.00 178.44 177.85 1sjj h GLU 514 N -0.11 0.26 -0.52 1.25 4.39 -1.32 0.53 114.58 119.06 1sjj h GLU 514 Ca 0.01 -0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.76 1sjj h GLU 514 Cb 0.15 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.66 1sjj h GLU 514 CO -0.00 0.35 -0.15 -0.92 -1.16 0.00 0.00 179.01 177.13 1sjj h TYR 515 N 0.11 -0.34 -0.29 4.33 3.20 -1.38 -2.44 116.97 120.17 1sjj h TYR 515 Ca 0.06 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1sjj h TYR 515 Cb 0.19 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1sjj h TYR 515 CO -0.01 -0.25 0.07 0.00 -1.64 0.00 0.00 178.16 176.33 1sjj h ALA 516 N 1.47 0.38 -0.43 1.82 0.00 -0.99 0.88 119.26 122.37 1sjj h ALA 516 Ca 0.25 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1sjj h ALA 516 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1sjj h ALA 516 CO -0.55 0.05 0.28 -0.22 0.00 0.00 0.00 179.25 178.80 1sjj h LYS 517 N 0.30 0.55 -0.01 0.00 3.64 -0.75 -2.61 116.57 117.69 1sjj h LYS 517 Ca 0.09 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.23 1sjj h LYS 517 Cb 0.30 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1sjj h LYS 517 CO 0.00 0.36 -0.89 0.00 -2.27 0.00 0.00 179.45 176.65 1sjj h ARG 518 N 0.56 0.36 -1.08 1.90 3.08 -1.48 -3.13 114.38 114.60 1sjj h ARG 518 Ca 0.16 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1sjj h ARG 518 Cb -0.04 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1sjj h ARG 518 CO -0.05 1.05 0.00 0.00 -1.07 0.00 0.00 179.97 179.90 1sjj n ALA 519 N -2.52 2.16 -1.06 0.04 0.00 0.30 -0.50 120.51 118.92 1sjj n ALA 519 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1sjj n ALA 519 Cb 0.81 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1sjj n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjj n ALA 520 N 0.46 0.92 0.06 0.00 0.00 -1.14 -4.34 120.51 116.47 1sjj n ALA 520 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1sjj n ALA 520 Cb 0.29 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.92 1sjj n ALA 520 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sjj n PRO 521 N -1.18 0.04 0.00 0.00 -0.02 -1.20 -0.22 135.00 132.42 1sjj n PRO 521 Ca 0.00 0.53 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 1sjj n PRO 521 Cb 0.00 -1.63 0.09 0.00 -0.02 0.00 0.00 33.50 31.94 1sjj n PRO 521 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sjj n PHE 522 N -1.72 0.00 0.02 6.00 7.35 0.34 -3.61 117.46 125.85 1sjj n PHE 522 Ca -0.00 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.51 1sjj n PHE 522 Cb 0.01 -0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.70 1sjj n PHE 522 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1sjj h ASN 523 N 4.07 0.35 0.30 -2.13 -1.24 -0.75 -3.39 115.58 112.79 1sjj h ASN 523 Ca 0.00 -0.66 -0.05 0.00 0.71 0.00 0.00 56.30 56.30 1sjj h ASN 523 Cb 0.92 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.85 1sjj h ASN 523 CO 0.00 1.58 -0.24 0.78 -1.29 0.00 0.00 177.43 178.26 1sjj h ASN 524 N 0.06 0.00 -0.33 1.15 4.21 -1.52 -2.93 115.58 116.23 1sjj h ASN 524 Ca -0.35 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.01 1sjj h ASN 524 Cb 2.03 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 39.23 1sjj h ASN 524 CO 0.11 0.24 -0.39 -0.25 -1.29 0.00 0.00 177.43 175.86 1sjj h TRP 525 N 0.00 1.02 -0.03 1.19 7.01 -1.74 -1.21 115.95 122.18 1sjj h TRP 525 Ca -0.00 -0.32 -0.17 0.00 2.11 0.00 0.00 58.89 60.51 1sjj h TRP 525 Cb 0.46 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 1sjj h TRP 525 CO 0.00 1.12 -0.72 0.52 -2.79 0.00 0.00 178.44 176.57 1sjj h MET 526 N 0.62 0.19 -0.39 2.65 2.86 -1.75 0.24 114.93 119.36 1sjj h MET 526 Ca 0.04 -0.16 0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1sjj h MET 526 Cb 0.98 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.62 1sjj h MET 526 CO 0.09 0.83 0.09 0.93 1.06 0.00 0.00 176.91 179.92 1sjj h GLU 527 N 0.13 0.22 0.07 1.72 4.39 -1.34 0.25 114.58 120.02 1sjj h GLU 527 Ca -0.02 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1sjj h GLU 527 Cb 1.28 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1sjj h GLU 527 CO 0.11 0.15 -0.03 0.78 -1.16 0.00 0.00 179.01 178.85 1sjj h GLY 528 N 0.23 -0.10 1.84 -3.84 0.00 -0.87 -0.43 103.07 99.90 1sjj h GLY 528 Ca 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1sjj h GLY 528 CO -0.23 -0.04 0.03 0.00 0.00 0.00 0.00 176.54 176.31 1sjj h ALA 529 N 0.66 1.76 -0.18 3.60 0.00 -0.41 0.19 119.26 124.89 1sjj h ALA 529 Ca -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1sjj h ALA 529 Cb 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sjj h ALA 529 CO 0.02 0.19 -0.07 0.52 0.00 0.00 0.00 179.25 179.90 1sjj h MET 530 N 0.21 0.36 0.01 0.00 2.07 -0.43 -3.14 114.93 114.01 1sjj h MET 530 Ca 0.05 -0.15 -0.00 0.00 -2.07 0.00 0.00 59.70 57.53 1sjj h MET 530 Cb 0.11 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.82 1sjj h MET 530 CO -0.00 0.65 -0.00 0.93 1.07 0.00 0.00 176.91 179.55 1sjj h GLU 531 N 0.05 -0.01 -0.90 1.72 4.39 0.06 -2.43 114.58 117.46 1sjj h GLU 531 Ca 0.04 0.00 0.25 0.00 0.34 0.00 0.00 59.36 60.00 1sjj h GLU 531 Cb 0.53 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.03 1sjj h GLU 531 CO 0.02 -0.01 0.26 -0.44 -1.16 0.00 0.00 179.01 177.69 1sjj h ASP 532 N -0.01 0.02 -0.38 1.42 3.32 -0.90 0.28 116.42 120.17 1sjj h ASP 532 Ca -0.00 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1sjj h ASP 532 Cb 0.01 0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1sjj h ASP 532 CO 0.00 -0.18 0.00 0.18 -1.72 0.00 0.00 179.24 177.52 1sjj n LEU 533 N -5.23 2.39 -0.06 1.55 4.32 -1.19 -3.64 117.00 115.14 1sjj n LEU 533 Ca 0.23 -1.13 -0.13 0.00 -0.02 0.00 0.00 56.01 54.96 1sjj n LEU 533 Cb 0.74 -0.25 -0.14 0.00 -1.62 0.00 0.00 43.42 42.15 1sjj n LEU 533 CO 0.05 0.57 -0.91 0.00 -1.22 0.00 0.00 177.39 175.88 1sjj n GLN 534 N 0.80 0.68 -0.64 3.23 1.13 -0.00 -4.93 117.38 117.63 1sjj n GLN 534 Ca 0.16 0.18 -0.28 0.00 -1.94 0.00 0.00 57.00 55.12 1sjj n GLN 534 Cb 0.40 -1.65 -0.05 0.00 0.11 0.00 0.00 30.24 29.05 1sjj n GLN 534 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1sjj n ASP 535 N -3.09 0.42 -4.55 1.08 2.03 -0.65 -4.96 116.55 106.84 1sjj n ASP 535 Ca -0.30 0.40 -0.40 0.00 0.52 0.00 0.00 54.79 55.01 1sjj n ASP 535 Cb 1.07 -0.38 -0.03 0.00 -0.72 0.00 0.00 41.12 41.06 1sjj n ASP 535 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1sjj s THR 536 N 1.97 3.60 0.04 5.18 -4.23 -1.26 -5.04 115.64 115.90 1sjj s THR 536 Ca 0.49 0.33 0.03 0.00 -1.18 0.00 0.00 61.69 61.36 1sjj s THR 536 Cb -0.65 -4.59 -0.04 0.00 1.34 0.00 0.00 72.50 68.57 1sjj s THR 536 CO 0.32 -1.54 -0.01 0.72 -0.54 0.00 0.00 174.62 173.57 1sjj s PHE 537 N 6.87 3.01 0.48 3.99 -0.12 -1.26 -5.14 117.98 125.81 1sjj s PHE 537 Ca 0.46 0.02 0.09 0.00 -0.05 0.00 0.00 56.93 57.45 1sjj s PHE 537 Cb -0.09 -1.61 0.04 0.00 -0.63 0.00 0.00 43.02 40.72 1sjj s PHE 537 CO 0.17 0.46 0.64 -1.50 -0.05 0.00 0.00 175.22 174.93 1sjj s ILE 538 N -1.16 2.66 0.03 -4.49 2.07 -1.26 -5.10 121.20 113.94 1sjj s ILE 538 Ca 0.22 -1.02 -0.06 0.00 -1.41 0.00 0.00 60.65 58.38 1sjj s ILE 538 Cb -0.12 -2.68 -0.01 0.00 0.13 0.00 0.00 42.46 39.79 1sjj s ILE 538 CO 0.13 0.00 0.11 0.68 -1.91 0.00 0.00 174.94 173.95 1sjj s VAL 539 N -2.47 0.11 -0.54 4.00 -7.23 -1.26 -5.06 120.40 107.95 1sjj s VAL 539 Ca 0.57 -0.94 0.10 0.00 -1.81 0.00 0.00 61.98 59.90 1sjj s VAL 539 Cb -0.08 -0.70 -0.10 0.00 0.56 0.00 0.00 36.38 36.06 1sjj s VAL 539 CO 0.35 -0.52 0.46 1.41 -0.31 0.00 0.00 175.10 176.49 1sjj n HIS 540 N 1.04 0.00 -4.12 2.82 8.25 -1.26 -4.98 115.22 116.98 1sjj n HIS 540 Ca -0.21 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.15 1sjj n HIS 540 Cb 0.57 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.59 1sjj n HIS 540 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1sjj s THR 541 N -1.93 0.05 0.10 1.59 -4.23 -1.26 -4.93 115.64 105.04 1sjj s THR 541 Ca 0.04 -1.79 -0.13 0.00 -1.18 0.00 0.00 61.69 58.64 1sjj s THR 541 Cb 0.08 -2.19 -0.14 0.00 1.34 0.00 0.00 72.50 71.60 1sjj s THR 541 CO 0.41 -0.22 1.33 -0.29 -0.54 0.00 0.00 174.62 175.32 1sjj h ILE 542 N 2.65 1.28 -0.17 2.99 2.10 -1.98 -3.16 117.51 121.23 1sjj h ILE 542 Ca -0.34 -1.87 -0.10 0.00 1.08 0.00 0.00 64.86 63.63 1sjj h ILE 542 Cb 1.23 1.87 -0.00 0.00 -1.09 0.00 0.00 36.82 38.83 1sjj h ILE 542 CO 0.52 0.60 -0.28 -0.33 -1.08 0.00 0.00 178.15 177.58 1sjj h GLU 543 N 0.55 0.49 0.00 2.19 4.39 -1.99 -2.47 114.58 117.74 1sjj h GLU 543 Ca -0.03 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.37 1sjj h GLU 543 Cb 1.30 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1sjj h GLU 543 CO 0.14 0.90 -0.00 0.93 -1.16 0.00 0.00 179.01 179.82 1sjj h GLU 544 N 0.13 0.00 0.11 2.33 4.39 -2.01 -0.86 114.58 118.67 1sjj h GLU 544 Ca 0.01 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.35 1sjj h GLU 544 Cb 0.86 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 1sjj h GLU 544 CO 0.06 0.00 -2.04 1.51 -1.16 0.00 0.00 179.01 177.38 1sjj n ILE 545 N -3.26 1.75 0.25 3.13 0.13 -1.15 -3.64 119.36 116.56 1sjj n ILE 545 Ca -0.03 -0.65 0.10 0.00 -1.10 0.00 0.00 62.75 61.06 1sjj n ILE 545 Cb 0.08 -1.68 0.63 0.00 -0.84 0.00 0.00 39.64 37.83 1sjj n ILE 545 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 1sjj h GLN 546 N 0.06 0.00 0.51 9.51 1.08 -0.96 0.55 115.11 125.86 1sjj h GLN 546 Ca -0.44 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.75 1sjj h GLN 546 Cb 2.02 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.43 1sjj h GLN 546 CO 0.07 0.16 -0.48 0.78 -0.95 0.00 0.00 178.83 178.41 1sjj h GLY 547 N 0.77 -1.19 2.00 3.46 0.00 -1.35 -0.20 103.07 106.57 1sjj h GLY 547 Ca -0.00 0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.85 1sjj h GLY 547 CO 0.02 -0.37 -0.14 1.41 0.00 0.00 0.00 176.54 177.46 1sjj h LEU 548 N -0.98 0.00 -0.11 3.11 4.07 -1.37 0.33 115.31 120.36 1sjj h LEU 548 Ca -0.06 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 1sjj h LEU 548 Cb 0.85 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.59 1sjj h LEU 548 CO -0.05 0.14 -0.05 0.74 -1.08 0.00 0.00 178.44 178.14 1sjj h THR 549 N 0.00 1.31 -0.33 0.22 2.02 -0.92 -2.73 112.91 112.49 1sjj h THR 549 Ca -0.00 -1.06 -0.09 0.00 0.77 0.00 0.00 66.41 66.04 1sjj h THR 549 Cb 0.37 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1sjj h THR 549 CO 0.02 0.30 -0.15 0.74 0.37 0.00 0.00 175.52 176.80 1sjj h THR 550 N -0.13 1.25 -0.60 3.16 2.02 -0.36 -1.42 112.91 116.82 1sjj h THR 550 Ca 0.02 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.05 1sjj h THR 550 Cb 0.50 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1sjj h THR 550 CO 0.02 0.37 0.29 0.00 0.37 0.00 0.00 175.52 176.57 1sjj h ALA 551 N 1.30 1.37 -0.02 6.16 0.00 -1.03 -2.02 119.26 125.02 1sjj h ALA 551 Ca 0.09 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1sjj h ALA 551 Cb 0.57 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1sjj h ALA 551 CO 0.04 0.49 -0.03 1.25 0.00 0.00 0.00 179.25 181.00 1sjj h HIS 552 N 0.85 -0.08 -0.54 0.00 2.76 -1.06 -2.20 115.15 114.89 1sjj h HIS 552 Ca 0.21 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.49 1sjj h HIS 552 Cb 0.09 0.04 -0.11 0.00 1.55 0.00 0.00 27.41 28.98 1sjj h HIS 552 CO 0.01 -0.05 -0.24 0.93 -1.30 0.00 0.00 177.93 177.28 1sjj h GLU 553 N -0.05 -0.10 -0.64 5.26 4.39 -0.89 0.22 114.58 122.76 1sjj h GLU 553 Ca 0.02 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1sjj h GLU 553 Cb 0.08 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1sjj h GLU 553 CO -0.05 -0.07 0.16 1.96 -1.16 0.00 0.00 179.01 179.84 1sjj h GLN 554 N -0.11 1.00 0.00 2.33 1.08 -1.40 -1.89 115.11 116.12 1sjj h GLN 554 Ca 0.25 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1sjj h GLN 554 Cb 0.49 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1sjj h GLN 554 CO -0.61 0.89 0.00 0.34 -0.95 0.00 0.00 178.83 178.50 1sjj n PHE 555 N -4.25 0.70 0.08 2.96 7.35 -0.83 -1.40 117.46 122.07 1sjj n PHE 555 Ca 0.05 0.21 -0.09 0.00 -0.76 0.00 0.00 57.45 56.86 1sjj n PHE 555 Cb 0.24 -0.84 0.01 0.00 0.35 0.00 0.00 39.48 39.25 1sjj n PHE 555 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1sjj h LYS 556 N 0.00 0.28 0.00 -4.13 1.57 -0.79 -3.34 116.57 110.15 1sjj h LYS 556 Ca 0.00 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1sjj h LYS 556 Cb 0.65 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1sjj h LYS 556 CO 0.00 0.95 -0.16 0.00 -0.57 0.00 0.00 179.45 179.67 1sjj h ALA 557 N 0.96 1.18 -0.00 3.86 0.00 -0.40 -2.68 119.26 122.19 1sjj h ALA 557 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sjj h ALA 557 Cb 1.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1sjj h ALA 557 CO 0.13 0.20 -0.18 0.25 0.00 0.00 0.00 179.25 179.65 1sjj n THR 558 N -3.54 0.00 -0.12 0.00 -2.24 -1.00 -3.98 114.28 103.41 1sjj n THR 558 Ca -0.01 -0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.68 1sjj n THR 558 Cb 0.31 -0.08 0.03 0.00 -2.10 0.00 0.00 70.33 68.49 1sjj n THR 558 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1sjj h LEU 559 N 0.36 -0.11 -1.56 3.22 3.38 -1.59 -1.87 115.31 117.14 1sjj h LEU 559 Ca 0.00 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1sjj h LEU 559 Cb 0.43 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1sjj h LEU 559 CO 0.00 -0.02 -0.08 1.55 0.09 0.00 0.00 178.44 179.97 1sjj h PRO 560 N 0.13 0.00 -0.00 1.13 0.13 -1.76 -0.68 132.00 130.95 1sjj h PRO 560 Ca 0.19 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 1sjj h PRO 560 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1sjj h PRO 560 CO -0.30 0.08 -0.07 0.38 -0.23 0.00 0.00 178.00 177.86 1sjj h ASP 561 N 0.00 0.06 -0.17 1.44 3.04 -1.76 -3.23 116.42 115.80 1sjj h ASP 561 Ca -0.00 -0.79 -0.02 0.00 -3.24 0.00 0.00 57.03 52.99 1sjj h ASP 561 Cb 0.51 -0.02 -0.01 0.00 -1.04 0.00 0.00 39.33 38.77 1sjj h ASP 561 CO 0.01 0.84 0.07 0.00 -2.04 0.00 0.00 179.24 178.12 1sjj h ALA 562 N 0.22 1.69 -0.11 4.15 0.00 -1.09 -0.04 119.26 124.08 1sjj h ALA 562 Ca -0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1sjj h ALA 562 Cb 0.85 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1sjj h ALA 562 CO 0.01 0.25 -0.34 0.22 0.00 0.00 0.00 179.25 179.39 1sjj h ASP 563 N 0.33 0.48 -0.97 0.00 1.82 -1.29 -2.35 116.42 114.43 1sjj h ASP 563 Ca 0.08 -0.61 0.19 0.00 -0.39 0.00 0.00 57.03 56.31 1sjj h ASP 563 Cb 0.11 -0.14 -0.09 0.00 0.68 0.00 0.00 39.33 39.89 1sjj h ASP 563 CO -0.01 1.01 0.61 0.50 -1.61 0.00 0.00 179.24 179.74 1sjj h LYS 564 N -0.01 0.63 0.28 0.28 3.64 -1.33 0.39 116.57 120.45 1sjj h LYS 564 Ca -0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1sjj h LYS 564 Cb 0.96 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1sjj h LYS 564 CO 0.07 0.42 -0.22 0.93 -2.27 0.00 0.00 179.45 178.38 1sjj h GLU 565 N 0.65 -0.49 -0.96 1.90 4.39 -1.00 -2.61 114.58 116.47 1sjj h GLU 565 Ca 0.54 0.03 0.07 0.00 0.34 0.00 0.00 59.36 60.34 1sjj h GLU 565 Cb 0.98 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.68 1sjj h GLU 565 CO -0.30 -0.33 0.61 -0.09 -1.16 0.00 0.00 179.01 177.74 1sjj h ARG 566 N -0.51 1.05 0.00 2.33 2.43 -0.47 0.14 114.38 119.34 1sjj h ARG 566 Ca -0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1sjj h ARG 566 Cb 0.45 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1sjj h ARG 566 CO -0.02 0.69 0.00 1.04 -1.51 0.00 0.00 179.97 180.18 1sjj n GLN 567 N -4.56 0.50 -0.10 0.20 1.13 0.12 -1.30 117.38 113.37 1sjj n GLN 567 Ca 0.15 0.04 -0.20 0.00 -1.94 0.00 0.00 57.00 55.05 1sjj n GLN 567 Cb 0.21 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 28.99 1sjj n GLN 567 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sjj n ALA 568 N -1.11 1.44 -0.15 -1.58 0.00 -0.49 -4.52 120.51 114.10 1sjj n ALA 568 Ca 0.13 -0.85 -0.12 0.00 0.00 0.00 0.00 53.44 52.60 1sjj n ALA 568 Cb 0.10 0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 1sjj n ALA 568 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1sjj h ILE 569 N -0.83 0.00 -0.97 0.00 2.04 -0.61 -0.61 117.51 116.53 1sjj h ILE 569 Ca -0.42 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.56 1sjj h ILE 569 Cb 1.32 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.32 1sjj h ILE 569 CO -0.26 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.44 1sjj h LEU 570 N -0.32 0.88 -1.15 1.44 4.07 -1.46 -1.63 115.31 117.15 1sjj h LEU 570 Ca 0.07 0.04 0.13 0.00 0.08 0.00 0.00 57.88 58.21 1sjj h LEU 570 Cb 0.51 -0.14 -0.08 0.00 1.08 0.00 0.00 40.66 42.04 1sjj h LEU 570 CO -0.57 0.47 0.60 1.23 -1.08 0.00 0.00 178.44 179.10 1sjj h GLY 571 N 0.95 1.43 0.68 0.83 0.00 -1.36 0.30 103.07 105.90 1sjj h GLY 571 Ca 0.48 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 1sjj h GLY 571 CO -0.24 0.12 -0.32 -2.22 0.00 0.00 0.00 176.54 173.88 1sjj h ILE 572 N 0.84 1.43 -0.02 2.60 2.04 -0.25 -1.20 117.51 122.95 1sjj h ILE 572 Ca 0.48 -1.73 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 1sjj h ILE 572 Cb 0.62 2.35 -0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1sjj h ILE 572 CO -0.24 0.50 -0.12 -0.74 0.00 0.00 0.00 178.15 177.54 1sjj h HIS 573 N -0.17 0.03 -0.15 1.37 2.76 -1.32 -2.54 115.15 115.13 1sjj h HIS 573 Ca -0.02 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1sjj h HIS 573 Cb 0.97 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 1sjj h HIS 573 CO 0.13 0.15 0.06 -0.91 -1.30 0.00 0.00 177.93 176.07 1sjj h ASN 574 N 0.03 0.21 -0.30 3.26 -0.26 -0.18 -2.82 115.58 115.51 1sjj h ASN 574 Ca 0.01 -0.16 -0.10 0.00 -0.56 0.00 0.00 56.30 55.49 1sjj h ASN 574 Cb 0.24 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1sjj h ASN 574 CO 0.02 0.31 -0.15 -0.08 -1.06 0.00 0.00 177.43 176.47 1sjj h GLU 575 N 0.09 0.74 -0.36 0.81 4.22 -0.97 -1.32 114.58 117.79 1sjj h GLU 575 Ca 0.05 -0.26 0.06 0.00 0.08 0.00 0.00 59.36 59.29 1sjj h GLU 575 Cb 0.17 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.28 1sjj h GLU 575 CO -0.00 0.85 -0.50 0.28 -2.18 0.00 0.00 179.01 177.46 1sjj h VAL 576 N 0.67 0.05 -0.66 0.32 2.07 -1.48 -1.22 116.25 116.00 1sjj h VAL 576 Ca 0.11 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.74 1sjj h VAL 576 Cb 0.62 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 1sjj h VAL 576 CO 0.04 0.00 0.22 0.28 0.02 0.00 0.00 177.57 178.14 1sjj h SER 577 N -0.40 0.18 -0.39 0.57 0.02 -1.22 -3.02 113.55 109.29 1sjj h SER 577 Ca 0.10 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1sjj h SER 577 Cb 0.61 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1sjj h SER 577 CO -0.56 0.09 0.08 0.50 -1.14 0.00 0.00 176.83 175.79 1sjj h LYS 578 N 0.38 0.63 0.00 3.45 3.64 -0.91 -3.28 116.57 120.49 1sjj h LYS 578 Ca 0.35 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1sjj h LYS 578 Cb 0.49 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1sjj h LYS 578 CO -0.37 0.68 -0.20 0.97 -2.27 0.00 0.00 179.45 178.26 1sjj h ILE 579 N 0.48 0.92 0.03 2.00 -0.00 -1.10 -2.88 117.51 116.96 1sjj h ILE 579 Ca 0.12 -0.75 -0.24 0.00 -0.00 0.00 0.00 64.86 63.99 1sjj h ILE 579 Cb 0.34 1.43 0.02 0.00 -0.00 0.00 0.00 36.82 38.61 1sjj h ILE 579 CO 0.00 0.20 -0.94 -0.37 -0.00 0.00 0.00 178.15 177.04 1sjj h VAL 580 N 0.00 1.33 -0.13 2.19 -1.51 -1.61 -3.39 116.25 113.13 1sjj h VAL 580 Ca -0.00 -2.24 -0.02 0.00 -1.23 0.00 0.00 66.70 63.20 1sjj h VAL 580 Cb 0.41 2.54 -0.01 0.00 -2.13 0.00 0.00 31.29 32.10 1sjj h VAL 580 CO 0.03 0.68 -0.00 -0.61 -1.23 0.00 0.00 177.57 176.43 1sjj h GLN 581 N 0.19 0.19 0.00 5.19 -0.00 -1.56 -1.86 115.11 117.25 1sjj h GLN 581 Ca -0.13 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.47 1sjj h GLN 581 Cb 1.62 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 29.06 1sjj h GLN 581 CO 0.18 0.21 -0.14 1.79 0.00 0.00 0.00 178.83 180.88 1sjj h THR 582 N 0.19 0.30 -0.01 2.39 1.35 -1.75 -3.31 112.91 112.07 1sjj h THR 582 Ca 0.05 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1sjj h THR 582 Cb 0.14 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1sjj h THR 582 CO 0.00 0.13 -0.38 -1.22 -0.25 0.00 0.00 175.52 173.80 1sjj n TYR 583 N -3.23 0.00 -3.12 4.73 4.01 -0.71 -5.02 117.16 113.82 1sjj n TYR 583 Ca 0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.57 1sjj n TYR 583 Cb 0.43 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.51 1sjj n TYR 583 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1sjj n HIS 584 N -0.54 -1.92 -3.36 -0.72 8.25 -1.15 -5.01 115.22 110.78 1sjj n HIS 584 Ca 0.05 0.62 -0.22 0.00 -0.26 0.00 0.00 57.72 57.90 1sjj n HIS 584 Cb 0.26 -3.94 0.03 0.00 1.12 0.00 0.00 29.99 27.45 1sjj n HIS 584 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sjj s VAL 585 N -3.15 2.09 0.00 1.59 1.01 -1.26 -5.10 120.40 115.59 1sjj s VAL 585 Ca 0.36 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1sjj s VAL 585 Cb -0.16 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1sjj s VAL 585 CO 0.44 0.00 0.00 0.59 0.00 0.00 0.00 175.10 176.13 1sjj n ASN 586 N -2.00 0.50 -1.03 3.32 3.02 -1.24 -4.99 115.26 112.84 1sjj n ASN 586 Ca 0.08 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1sjj n ASN 586 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1sjj n ASN 586 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1sjj n MET 587 N -0.67 -1.52 -1.87 3.52 1.56 -1.26 -4.93 117.12 111.95 1sjj n MET 587 Ca 0.00 1.44 -0.30 0.00 -0.27 0.00 0.00 57.70 58.57 1sjj n MET 587 Cb 0.00 -1.29 0.04 0.00 2.15 0.00 0.00 33.22 34.12 1sjj n MET 587 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1sjj s ALA 588 N -0.15 2.94 -1.44 -5.12 0.00 -1.26 -4.90 121.76 111.82 1sjj s ALA 588 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 1sjj s ALA 588 Cb 0.00 -3.04 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 1sjj s ALA 588 CO 0.00 -1.03 2.63 0.41 0.00 0.00 0.00 175.76 177.77 1sjj n GLY 589 N -2.90 4.03 2.92 0.00 0.00 -1.26 -4.80 105.19 103.18 1sjj n GLY 589 Ca 0.07 -1.41 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 1sjj n GLY 589 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sjj s THR 590 N 2.72 0.50 -0.30 2.61 -4.23 -1.26 -5.10 115.64 110.58 1sjj s THR 590 Ca 0.60 -0.16 -0.22 0.00 -1.18 0.00 0.00 61.69 60.72 1sjj s THR 590 Cb 0.16 -0.49 -0.00 0.00 1.34 0.00 0.00 72.50 73.50 1sjj s THR 590 CO -0.05 0.19 0.74 0.21 -0.54 0.00 0.00 174.62 175.17 1sjj s ASN 591 N 0.53 6.61 0.14 3.99 3.04 -1.26 -4.98 114.94 123.01 1sjj s ASN 591 Ca -0.07 0.59 -0.04 0.00 0.04 0.00 0.00 52.86 53.39 1sjj s ASN 591 Cb -0.10 -2.38 -0.05 0.00 -1.54 0.00 0.00 41.25 37.17 1sjj s ASN 591 CO -0.00 -0.57 1.34 1.55 -3.04 0.00 0.00 177.10 176.38 1sjj h PRO 592 N 8.13 0.42 0.00 0.43 0.13 -1.97 -3.40 132.00 135.74 1sjj h PRO 592 Ca -0.25 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1sjj h PRO 592 Cb 1.10 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1sjj h PRO 592 CO 0.86 1.07 -0.58 0.66 -0.23 0.00 0.00 178.00 179.78 1sjj n TYR 593 N -3.78 0.21 -4.36 1.56 4.01 -1.26 -4.82 117.16 108.73 1sjj n TYR 593 Ca -0.06 0.06 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 1sjj n TYR 593 Cb 0.79 -0.41 -0.08 0.00 -0.31 0.00 0.00 39.34 39.34 1sjj n TYR 593 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1sjj s THR 594 N -3.07 0.18 -0.09 -0.72 -1.32 -1.26 -4.86 115.64 104.49 1sjj s THR 594 Ca 0.09 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.55 1sjj s THR 594 Cb 0.16 -2.44 -0.01 0.00 -1.51 0.00 0.00 72.50 68.70 1sjj s THR 594 CO 0.71 0.00 0.08 0.71 -2.21 0.00 0.00 174.62 173.91 1sjj h THR 595 N 2.04 0.00 -4.24 5.08 1.35 -1.87 -3.46 112.91 111.81 1sjj h THR 595 Ca -0.28 -0.93 -0.52 0.00 -0.55 0.00 0.00 66.41 64.13 1sjj h THR 595 Cb 1.25 0.00 0.13 0.00 -1.73 0.00 0.00 68.15 67.79 1sjj h THR 595 CO 0.43 0.00 0.35 0.27 -0.25 0.00 0.00 175.52 176.32 1sjj s ILE 596 N -1.76 3.02 0.30 6.82 -4.36 -1.26 -5.04 121.20 118.91 1sjj s ILE 596 Ca -0.01 0.42 0.11 0.00 -0.26 0.00 0.00 60.65 60.91 1sjj s ILE 596 Cb 0.00 -2.89 -0.05 0.00 1.25 0.00 0.00 42.46 40.77 1sjj s ILE 596 CO 0.03 -0.35 -0.17 0.28 0.24 0.00 0.00 174.94 174.98 1sjj s THR 597 N -2.48 2.37 0.26 8.37 -1.32 -1.26 -5.03 115.64 116.55 1sjj s THR 597 Ca 0.66 -2.34 0.37 0.00 -1.21 0.00 0.00 61.69 59.17 1sjj s THR 597 Cb -0.21 -2.40 0.39 0.00 -1.51 0.00 0.00 72.50 68.78 1sjj s THR 597 CO 0.48 -0.35 2.10 -0.65 -2.21 0.00 0.00 174.62 173.99 1sjj h PRO 598 N 2.21 0.00 0.21 7.08 0.11 -1.98 -2.77 132.00 136.86 1sjj h PRO 598 Ca -0.41 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.38 1sjj h PRO 598 Cb 1.26 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.39 1sjj h PRO 598 CO 0.63 0.00 -1.49 1.96 -0.21 0.00 0.00 178.00 178.89 1sjj h GLN 599 N 0.00 0.44 0.00 1.05 1.08 -1.97 0.10 115.11 115.81 1sjj h GLN 599 Ca 0.00 -0.76 -0.03 0.00 -1.45 0.00 0.00 58.65 56.42 1sjj h GLN 599 Cb 0.28 0.28 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1sjj h GLN 599 CO 0.00 1.35 -0.86 1.05 -0.95 0.00 0.00 178.83 179.42 1sjj h GLU 600 N 0.12 0.00 -0.03 1.46 9.09 -1.98 -2.73 114.58 120.50 1sjj h GLU 600 Ca -0.25 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.16 1sjj h GLU 600 Cb 2.11 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 29.21 1sjj h GLU 600 CO 0.24 0.06 0.01 0.82 0.05 0.00 0.00 179.01 180.19 1sjj h ILE 601 N 0.00 1.12 0.00 -1.06 1.08 -1.52 -0.05 117.51 117.08 1sjj h ILE 601 Ca -0.02 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1sjj h ILE 601 Cb 1.09 1.30 -0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1sjj h ILE 601 CO 0.01 0.10 -0.01 -1.13 -0.69 0.00 0.00 178.15 176.43 1sjj h ASN 602 N -0.09 0.00 0.31 1.72 -1.24 -0.87 -2.26 115.58 113.15 1sjj h ASN 602 Ca 0.01 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.01 1sjj h ASN 602 Cb 0.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1sjj h ASN 602 CO -0.00 0.01 -0.15 1.23 -1.29 0.00 0.00 177.43 177.23 1sjj h GLY 603 N 0.05 -0.43 -0.07 1.57 0.00 -1.04 -3.22 103.07 99.92 1sjj h GLY 603 Ca -0.00 0.16 0.24 0.00 0.00 0.00 0.00 47.33 47.73 1sjj h GLY 603 CO 0.00 -0.16 0.62 0.50 0.00 0.00 0.00 176.54 177.50 1sjj h LYS 604 N -0.78 0.56 -0.59 4.80 1.57 -0.60 0.03 116.57 121.56 1sjj h LYS 604 Ca -0.04 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1sjj h LYS 604 Cb 0.51 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 1sjj h LYS 604 CO 0.07 0.37 0.27 2.35 -0.57 0.00 0.00 179.45 181.94 1sjj h TRP 605 N 0.58 0.49 -0.01 -1.35 2.91 -1.46 0.00 115.95 117.10 1sjj h TRP 605 Ca 0.62 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.66 1sjj h TRP 605 Cb 1.21 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.73 1sjj h TRP 605 CO -0.00 0.19 -0.01 0.39 -1.03 0.00 0.00 178.44 177.97 1sjj n GLU 606 N -4.91 1.48 0.14 2.65 -0.58 -0.13 0.33 120.64 119.62 1sjj n GLU 606 Ca 0.07 -0.75 -0.11 0.00 -0.42 0.00 0.00 57.16 55.95 1sjj n GLU 606 Cb 0.21 -1.48 -0.07 0.00 -0.57 0.00 0.00 31.44 29.53 1sjj n GLU 606 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1sjj h HIS 607 N 1.83 -0.39 -0.40 -0.32 3.86 -0.49 -2.96 115.15 116.28 1sjj h HIS 607 Ca 0.00 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1sjj h HIS 607 Cb 0.41 0.13 -0.08 0.00 1.06 0.00 0.00 27.41 28.93 1sjj h HIS 607 CO 0.00 -0.06 -0.11 0.28 0.86 0.00 0.00 177.93 178.90 1sjj h VAL 608 N -0.94 0.58 0.00 2.45 2.07 -0.85 -0.79 116.25 118.77 1sjj h VAL 608 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1sjj h VAL 608 Cb 0.51 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1sjj h VAL 608 CO 0.07 0.00 -0.21 -0.09 0.02 0.00 0.00 177.57 177.36 1sjj h ARG 609 N -0.02 0.00 -0.01 1.57 2.43 -0.30 -2.43 114.38 115.63 1sjj h ARG 609 Ca 0.19 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1sjj h ARG 609 Cb 0.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1sjj h ARG 609 CO -0.42 0.21 0.00 0.37 -1.51 0.00 0.00 179.97 178.62 1sjj h GLN 610 N 0.00 0.02 0.10 0.20 -0.00 -1.17 -3.35 115.11 110.91 1sjj h GLN 610 Ca -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.66 1sjj h GLN 610 Cb 0.55 -0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.00 1sjj h GLN 610 CO 0.03 0.29 -0.22 -0.07 0.00 0.00 0.00 178.83 178.86 1sjj h LEU 611 N -0.26 -0.62 -0.13 -2.39 3.38 -0.93 -3.34 115.31 111.01 1sjj h LEU 611 Ca 0.00 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1sjj h LEU 611 Cb 0.28 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1sjj h LEU 611 CO 0.00 -0.30 -0.08 0.52 0.09 0.00 0.00 178.44 178.67 1sjj n VAL 612 N -5.34 -0.09 0.54 1.22 0.31 -0.94 -1.26 118.33 112.77 1sjj n VAL 612 Ca -0.06 1.30 0.00 0.00 -0.01 0.00 0.00 64.34 65.57 1sjj n VAL 612 Cb 0.26 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1sjj n VAL 612 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1sjj n PRO 613 N -3.16 0.83 0.00 5.55 -0.04 -1.25 -2.31 135.00 134.62 1sjj n PRO 613 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1sjj n PRO 613 Cb 0.03 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1sjj n PRO 613 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1sjj n ARG 614 N 0.82 4.73 -0.13 0.54 0.63 -0.39 -4.73 116.66 118.12 1sjj n ARG 614 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1sjj n ARG 614 Cb 0.42 -0.56 -0.12 0.00 0.45 0.00 0.00 32.46 32.65 1sjj n ARG 614 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1sjj n ARG 615 N -0.98 0.64 -0.32 -0.14 5.12 -0.98 -2.49 116.66 117.51 1sjj n ARG 615 Ca 0.00 0.15 0.09 0.00 -1.93 0.00 0.00 57.85 56.16 1sjj n ARG 615 Cb 0.00 -1.51 0.29 0.00 -1.16 0.00 0.00 32.46 30.08 1sjj n ARG 615 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 1sjj h ASP 616 N -0.06 0.83 0.02 0.55 -0.00 -1.89 0.36 116.42 116.23 1sjj h ASP 616 Ca -0.58 0.04 -0.00 0.00 -0.00 0.00 0.00 57.03 56.49 1sjj h ASP 616 Cb 1.87 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 41.08 1sjj h ASP 616 CO -0.11 0.44 -0.01 -0.61 -0.00 0.00 0.00 179.24 178.95 1sjj h GLN 617 N 0.89 -0.02 -0.56 4.15 -0.00 -1.85 -0.70 115.11 117.02 1sjj h GLN 617 Ca 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.11 1sjj h GLN 617 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.00 1sjj h GLN 617 CO -0.23 0.13 0.31 0.00 0.00 0.00 0.00 178.83 179.03 1sjj h ALA 618 N 0.82 1.48 -0.65 3.38 0.00 -1.08 -1.30 119.26 121.91 1sjj h ALA 618 Ca -0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1sjj h ALA 618 Cb 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1sjj h ALA 618 CO 0.00 0.43 0.40 -0.07 0.00 0.00 0.00 179.25 180.01 1sjj h LEU 619 N 0.78 0.65 -1.21 0.00 -0.00 -0.25 -2.89 115.31 112.39 1sjj h LEU 619 Ca 0.20 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 58.13 1sjj h LEU 619 Cb 0.02 -0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 40.50 1sjj h LEU 619 CO -0.03 0.45 0.55 -0.03 -0.00 0.00 0.00 178.44 179.38 1sjj h MET 620 N 0.78 0.96 -0.29 1.13 4.05 -0.06 0.17 114.93 121.68 1sjj h MET 620 Ca 0.26 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.68 1sjj h MET 620 Cb 0.02 -0.22 -0.06 0.00 -0.80 0.00 0.00 31.60 30.55 1sjj h MET 620 CO -0.10 0.64 -0.08 0.93 0.23 0.00 0.00 176.91 178.52 1sjj h GLU 621 N 0.99 -0.02 -0.07 0.39 4.39 -1.16 0.45 114.58 119.55 1sjj h GLU 621 Ca 0.34 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.95 1sjj h GLU 621 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1sjj h GLU 621 CO -0.11 -0.01 -0.41 0.93 -1.16 0.00 0.00 179.01 178.25 1sjj h GLU 622 N -0.02 0.16 -0.55 2.33 4.39 -1.16 -2.69 114.58 117.04 1sjj h GLU 622 Ca 0.14 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1sjj h GLU 622 Cb 0.23 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1sjj h GLU 622 CO -0.31 0.54 0.08 1.25 -1.16 0.00 0.00 179.01 179.42 1sjj h HIS 623 N 0.13 0.93 0.00 4.33 2.76 -0.35 0.48 115.15 123.44 1sjj h HIS 623 Ca 0.01 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1sjj h HIS 623 Cb 0.78 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1sjj h HIS 623 CO 0.01 0.80 0.00 0.00 -1.30 0.00 0.00 177.93 177.44 1sjj h ALA 624 N 1.25 1.00 -3.00 5.26 0.00 -0.59 -3.02 119.26 120.16 1sjj h ALA 624 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sjj h ALA 624 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1sjj h ALA 624 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 1sjj n ARG 625 N -2.68 0.00 -0.21 0.00 1.74 -0.04 -4.60 116.66 110.87 1sjj n ARG 625 Ca -0.01 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.02 1sjj n ARG 625 Cb 0.13 -0.01 0.01 0.00 -1.02 0.00 0.00 32.46 31.57 1sjj n ARG 625 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1sjj h GLN 626 N 0.00 -0.14 -0.70 5.56 1.08 -1.12 0.29 115.11 120.09 1sjj h GLN 626 Ca 0.00 0.01 0.20 0.00 -1.45 0.00 0.00 58.65 57.41 1sjj h GLN 626 Cb 0.00 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 1sjj h GLN 626 CO 0.00 -0.10 0.50 0.37 -0.95 0.00 0.00 178.83 178.66 1sjj h GLN 627 N -0.15 0.00 0.10 1.46 -0.00 -1.74 -0.85 115.11 113.93 1sjj h GLN 627 Ca 0.24 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.68 1sjj h GLN 627 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.03 1sjj h GLN 627 CO -0.69 0.00 -1.02 1.96 0.00 0.00 0.00 178.83 179.08 1sjj h GLN 628 N 0.00 0.21 -0.62 1.69 1.08 -0.59 -3.36 115.11 113.52 1sjj h GLN 628 Ca 0.33 -0.35 0.13 0.00 -1.45 0.00 0.00 58.65 57.31 1sjj h GLN 628 Cb 1.34 0.13 -0.11 0.00 -0.05 0.00 0.00 27.48 28.79 1sjj h GLN 628 CO -0.00 1.17 -0.02 -0.91 -0.95 0.00 0.00 178.83 178.11 1sjj h ASN 629 N -0.48 -0.32 -0.29 1.46 -0.26 0.46 -1.21 115.58 114.94 1sjj h ASN 629 Ca -0.22 0.16 -0.04 0.00 -0.56 0.00 0.00 56.30 55.64 1sjj h ASN 629 Cb 1.58 0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 39.11 1sjj h ASN 629 CO 0.05 -0.13 0.05 -0.33 -1.06 0.00 0.00 177.43 176.02 1sjj h GLU 630 N 0.10 0.58 0.00 0.81 4.39 -1.48 -2.31 114.58 116.67 1sjj h GLU 630 Ca 0.32 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.85 1sjj h GLU 630 Cb 0.52 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1sjj h GLU 630 CO -0.55 0.57 -0.28 -0.09 -1.16 0.00 0.00 179.01 177.50 1sjj h ARG 631 N 0.56 0.00 0.23 2.33 2.43 -1.43 -2.65 114.38 115.86 1sjj h ARG 631 Ca 0.13 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.98 1sjj h ARG 631 Cb 0.28 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1sjj h ARG 631 CO 0.00 0.28 -1.40 -0.07 -1.51 0.00 0.00 179.97 177.28 1sjj h LEU 632 N 0.00 0.83 -0.68 3.80 3.38 -0.73 0.96 115.31 122.87 1sjj h LEU 632 Ca -0.00 -0.91 0.10 0.00 0.09 0.00 0.00 57.88 57.16 1sjj h LEU 632 Cb 0.55 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1sjj h LEU 632 CO 0.04 1.68 0.29 0.03 0.09 0.00 0.00 178.44 180.56 1sjj h ARG 633 N 0.11 0.47 0.31 1.13 3.08 -1.44 -0.75 114.38 117.30 1sjj h ARG 633 Ca -0.24 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 1sjj h ARG 633 Cb 2.10 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 32.04 1sjj h ARG 633 CO 0.26 0.31 -0.18 0.87 -1.07 0.00 0.00 179.97 180.17 1sjj h LYS 634 N 0.49 -0.45 -0.56 0.04 1.57 -1.47 -2.61 116.57 113.59 1sjj h LYS 634 Ca 0.35 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.18 1sjj h LYS 634 Cb 0.43 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1sjj h LYS 634 CO -0.31 -0.30 0.34 1.96 -0.57 0.00 0.00 179.45 180.57 1sjj h GLN 635 N -0.46 0.65 -0.75 3.15 1.08 -0.41 0.07 115.11 118.43 1sjj h GLN 635 Ca -0.03 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1sjj h GLN 635 Cb 0.38 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 1sjj h GLN 635 CO 0.04 0.43 0.50 0.35 -0.95 0.00 0.00 178.83 179.20 1sjj h PHE 636 N 0.67 0.92 0.04 2.96 3.57 -1.22 -0.78 116.94 123.11 1sjj h PHE 636 Ca 0.22 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1sjj h PHE 636 Cb 0.02 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.45 1sjj h PHE 636 CO -0.06 0.56 -0.02 0.78 -2.23 0.00 0.00 178.31 177.34 1sjj h GLY 637 N 0.98 -0.06 1.43 2.40 0.00 -1.01 -1.01 103.07 105.80 1sjj h GLY 637 Ca 0.29 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.69 1sjj h GLY 637 CO -0.07 -0.02 0.27 0.00 0.00 0.00 0.00 176.54 176.72 1sjj h ALA 638 N 0.81 1.94 -0.57 3.60 0.00 -0.09 -1.49 119.26 123.46 1sjj h ALA 638 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sjj h ALA 638 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1sjj h ALA 638 CO 0.01 -0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1sjj n GLN 639 N -4.48 0.00 0.29 0.00 1.13 -0.38 -4.43 117.38 109.51 1sjj n GLN 639 Ca 0.05 0.37 0.15 0.00 -1.94 0.00 0.00 57.00 55.62 1sjj n GLN 639 Cb 0.22 -0.86 0.88 0.00 0.11 0.00 0.00 30.24 30.59 1sjj n GLN 639 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sjj h ALA 640 N -2.00 1.41 0.00 -1.58 0.00 -1.19 -0.07 119.26 115.83 1sjj h ALA 640 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sjj h ALA 640 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1sjj h ALA 640 CO 0.00 0.05 0.00 -0.91 0.00 0.00 0.00 179.25 178.39 1sjj h ASN 641 N 0.00 0.00 0.00 0.00 4.21 -1.45 0.51 115.58 118.84 1sjj h ASN 641 Ca -0.00 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.31 1sjj h ASN 641 Cb 0.11 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.27 1sjj h ASN 641 CO 0.00 0.00 -1.89 1.33 -1.29 0.00 0.00 177.43 175.58 1sjj n VAL 642 N -2.89 0.75 0.32 2.81 0.24 -0.69 -4.31 118.33 114.55 1sjj n VAL 642 Ca 0.03 -0.53 -0.15 0.00 -2.04 0.00 0.00 64.34 61.65 1sjj n VAL 642 Cb 0.43 -0.46 -0.08 0.00 -1.47 0.00 0.00 33.84 32.26 1sjj n VAL 642 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1sjj h ILE 643 N 0.00 0.20 -0.64 1.34 2.04 -1.07 -3.14 117.51 116.24 1sjj h ILE 643 Ca -0.30 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.29 1sjj h ILE 643 Cb 1.61 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 1sjj h ILE 643 CO 0.02 0.03 -0.38 0.61 0.00 0.00 0.00 178.15 178.42 1sjj n GLY 644 N -0.69 -1.79 0.00 5.37 0.00 0.17 -0.47 105.19 107.78 1sjj n GLY 644 Ca -0.12 0.79 0.11 0.00 0.00 0.00 0.00 46.02 46.80 1sjj n GLY 644 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sjj n PRO 645 N -4.73 0.29 0.20 1.61 -0.04 -1.26 -1.69 135.00 129.39 1sjj n PRO 645 Ca 0.01 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 1sjj n PRO 645 Cb 0.17 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.50 1sjj n PRO 645 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1sjj h TRP 646 N 0.00 0.00 0.16 0.54 7.01 -0.72 0.18 115.95 123.11 1sjj h TRP 646 Ca 0.00 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1sjj h TRP 646 Cb 0.22 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1sjj h TRP 646 CO 0.00 0.29 -0.08 0.82 -2.79 0.00 0.00 178.44 176.69 1sjj h ILE 647 N 0.00 0.96 -0.01 2.65 2.04 -1.20 -3.18 117.51 118.77 1sjj h ILE 647 Ca -0.00 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1sjj h ILE 647 Cb 0.86 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1sjj h ILE 647 CO 0.04 0.22 0.01 -0.61 0.00 0.00 0.00 178.15 177.80 1sjj h GLN 648 N -0.74 0.01 -0.87 2.37 -0.00 -1.30 -0.14 115.11 114.44 1sjj h GLN 648 Ca -0.02 -0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.66 1sjj h GLN 648 Cb 0.52 -0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.95 1sjj h GLN 648 CO 0.04 0.03 0.57 1.79 0.00 0.00 0.00 178.83 181.25 1sjj h THR 649 N -0.00 1.15 -0.33 2.39 1.35 -1.15 -0.06 112.91 116.26 1sjj h THR 649 Ca 0.00 -0.37 -0.11 0.00 -0.55 0.00 0.00 66.41 65.37 1sjj h THR 649 Cb 0.02 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.39 1sjj h THR 649 CO -0.00 0.20 -0.24 0.11 -0.25 0.00 0.00 175.52 175.34 1sjj h LYS 650 N 1.09 0.75 -0.85 4.72 1.79 -1.44 -1.92 116.57 120.71 1sjj h LYS 650 Ca 0.34 -0.36 0.19 0.00 -2.18 0.00 0.00 60.65 58.64 1sjj h LYS 650 Cb 0.01 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.60 1sjj h LYS 650 CO -0.10 0.98 0.57 0.52 -1.08 0.00 0.00 179.45 180.34 1sjj h MET 651 N 0.52 0.39 -0.15 3.15 2.86 -0.60 -0.25 114.93 120.85 1sjj h MET 651 Ca 0.06 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1sjj h MET 651 Cb 0.80 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 1sjj h MET 651 CO 0.06 0.26 -0.02 1.49 1.06 0.00 0.00 176.91 179.76 1sjj h GLU 652 N 0.40 0.28 0.00 1.72 4.22 -0.87 -3.29 114.58 117.04 1sjj h GLU 652 Ca 0.43 -0.10 -0.05 0.00 0.08 0.00 0.00 59.36 59.72 1sjj h GLU 652 Cb 1.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1sjj h GLU 652 CO -0.15 0.54 -0.23 0.93 -2.18 0.00 0.00 179.01 177.92 1sjj h GLU 653 N -0.01 0.00 -1.15 1.92 4.39 -0.82 -3.28 114.58 115.64 1sjj h GLU 653 Ca 0.04 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 1sjj h GLU 653 Cb 0.43 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 1sjj h GLU 653 CO 0.01 0.23 0.08 -0.89 -1.16 0.00 0.00 179.01 177.28 1sjj n ILE 654 N -3.69 1.41 -0.16 3.13 5.41 -0.15 -0.78 119.36 124.53 1sjj n ILE 654 Ca -0.01 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.42 1sjj n ILE 654 Cb 0.35 -1.02 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 1sjj n ILE 654 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sjj n GLY 655 N 0.46 1.00 0.00 7.39 0.00 -1.24 -5.01 105.19 107.80 1sjj n GLY 655 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1sjj n GLY 655 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjj n ARG 656 N 0.00 3.45 0.00 1.61 1.74 0.04 -4.86 116.66 118.64 1sjj n ARG 656 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1sjj n ARG 656 Cb 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 1sjj n ARG 656 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1sjj n ILE 657 N 0.00 0.00 0.00 0.55 5.41 -1.26 -4.57 119.36 119.49 1sjj n ILE 657 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1sjj n ILE 657 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1sjj n ILE 657 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1sjj n SER 658 N 2.44 0.00 0.00 4.38 7.64 -1.26 -3.30 113.62 123.52 1sjj n SER 658 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1sjj n SER 658 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1sjj n SER 658 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1sjj n ILE 659 N -0.19 0.00 -0.08 0.44 -0.00 -1.26 -5.02 119.36 113.25 1sjj n ILE 659 Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 62.75 62.28 1sjj n ILE 659 Cb 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.64 1sjj n ILE 659 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1sjj n GLU 660 N -0.86 0.29 -0.05 6.28 -0.58 -1.21 -5.00 120.64 119.51 1sjj n GLU 660 Ca 0.00 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.56 1sjj n GLU 660 Cb 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.74 1sjj n GLU 660 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1sjj h MET 661 N 0.00 0.08 0.00 3.49 2.86 -1.94 -3.40 114.93 116.01 1sjj h MET 661 Ca 0.00 -0.13 -0.21 0.00 -2.06 0.00 0.00 59.70 57.30 1sjj h MET 661 Cb 0.00 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1sjj h MET 661 CO 0.00 1.06 -1.13 1.25 1.06 0.00 0.00 176.91 179.15 1sjj h HIS 662 N -0.81 0.00 0.00 -0.22 -0.00 -1.99 -3.49 115.15 108.63 1sjj h HIS 662 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 1sjj h HIS 662 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 1sjj h HIS 662 CO 0.20 1.44 0.00 0.41 -0.00 0.00 0.00 177.93 179.98 1sjj n GLY 663 N 1.45 0.52 1.45 5.26 0.00 -1.26 -4.85 105.19 107.76 1sjj n GLY 663 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1sjj n GLY 663 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sjj n THR 664 N -0.06 0.00 -0.09 2.61 -1.04 -1.26 -5.00 114.28 109.44 1sjj n THR 664 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1sjj n THR 664 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1sjj n THR 664 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1sjj n LEU 665 N -2.61 2.01 0.02 -4.42 4.77 -1.26 -4.46 117.00 111.05 1sjj n LEU 665 Ca 0.00 0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1sjj n LEU 665 Cb 0.00 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.50 1sjj n LEU 665 CO 0.00 0.56 0.50 1.05 -1.33 0.00 0.00 177.39 178.17 1sjj h GLU 666 N -0.40 -0.09 0.00 3.23 9.09 -1.96 0.21 114.58 124.65 1sjj h GLU 666 Ca -0.44 0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1sjj h GLU 666 Cb 1.50 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.62 1sjj h GLU 666 CO -0.20 -0.06 0.00 -0.25 0.05 0.00 0.00 179.01 178.55 1sjj n ASP 667 N -2.60 0.00 -0.11 3.06 8.00 -1.26 -2.48 116.55 121.15 1sjj n ASP 667 Ca -0.01 0.24 -0.23 0.00 0.71 0.00 0.00 54.79 55.50 1sjj n ASP 667 Cb 0.04 -0.29 -0.08 0.00 -0.02 0.00 0.00 41.12 40.78 1sjj n ASP 667 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1sjj n GLN 668 N -1.29 0.48 -0.10 -1.24 0.00 -1.08 -3.82 117.38 110.33 1sjj n GLN 668 Ca 0.01 0.20 -0.07 0.00 -0.00 0.00 0.00 57.00 57.14 1sjj n GLN 668 Cb 0.02 -1.31 0.10 0.00 0.00 0.00 0.00 30.24 29.06 1sjj n GLN 668 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1sjj h LEU 669 N -0.72 0.80 -0.92 1.69 7.12 -0.53 -2.34 115.31 120.41 1sjj h LEU 669 Ca -0.56 -0.26 0.18 0.00 0.13 0.00 0.00 57.88 57.37 1sjj h LEU 669 Cb 1.52 -0.22 -0.17 0.00 -0.53 0.00 0.00 40.66 41.26 1sjj h LEU 669 CO -0.32 0.95 -0.25 -1.13 -0.13 0.00 0.00 178.44 177.57 1sjj h ASN 670 N 0.71 -0.92 1.67 1.25 -1.24 -1.70 0.13 115.58 115.49 1sjj h ASN 670 Ca 0.11 0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.40 1sjj h ASN 670 Cb 0.65 0.59 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1sjj h ASN 670 CO 0.05 -0.30 -0.00 0.45 -1.29 0.00 0.00 177.43 176.33 1sjj h HIS 671 N -0.00 0.00 0.17 0.67 3.86 -1.53 -2.46 115.15 115.86 1sjj h HIS 671 Ca 0.43 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.34 1sjj h HIS 671 Cb 0.67 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.15 1sjj h HIS 671 CO -0.73 0.00 -1.33 -0.07 0.86 0.00 0.00 177.93 176.66 1sjj h LEU 672 N 0.00 0.59 -2.16 2.43 3.38 -0.76 0.10 115.31 118.89 1sjj h LEU 672 Ca 0.00 -0.63 0.06 0.00 0.09 0.00 0.00 57.88 57.41 1sjj h LEU 672 Cb 0.84 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1sjj h LEU 672 CO 0.00 1.49 0.21 0.03 0.09 0.00 0.00 178.44 180.26 1sjj h ARG 673 N 0.11 0.00 0.11 1.13 2.47 -0.82 -2.14 114.38 115.23 1sjj h ARG 673 Ca -0.18 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 1sjj h ARG 673 Cb 2.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.36 1sjj h ARG 673 CO 0.23 0.00 -0.05 0.37 0.56 0.00 0.00 179.97 181.08 1sjj h GLN 674 N 0.00 -0.14 0.00 0.04 -0.00 -1.23 -3.20 115.11 110.58 1sjj h GLN 674 Ca 0.11 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.73 1sjj h GLN 674 Cb 0.53 0.03 -0.00 0.00 0.00 0.00 0.00 27.48 28.03 1sjj h GLN 674 CO -0.00 0.17 -0.16 1.88 0.00 0.00 0.00 178.83 180.72 1sjj h TYR 675 N -0.99 0.00 0.28 3.99 0.05 -0.69 0.35 116.97 119.97 1sjj h TYR 675 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1sjj h TYR 675 Cb 0.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1sjj h TYR 675 CO 0.07 0.16 -0.14 1.49 -1.05 0.00 0.00 178.16 178.69 1sjj h GLU 676 N 0.00 -0.37 -0.88 4.88 4.22 -1.58 -1.25 114.58 119.61 1sjj h GLU 676 Ca -0.00 0.03 0.19 0.00 0.08 0.00 0.00 59.36 59.65 1sjj h GLU 676 Cb 0.31 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 1sjj h GLU 676 CO 0.02 -0.20 0.58 -0.22 -2.18 0.00 0.00 179.01 177.01 1sjj h LYS 677 N -0.44 0.43 -0.22 1.92 3.64 -1.30 0.86 116.57 121.45 1sjj h LYS 677 Ca -0.04 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1sjj h LYS 677 Cb 0.33 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1sjj h LYS 677 CO 0.06 0.28 0.06 1.03 -2.27 0.00 0.00 179.45 178.61 1sjj h SER 678 N 0.44 0.33 0.20 4.20 0.87 -0.85 -2.23 113.55 116.51 1sjj h SER 678 Ca 0.45 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1sjj h SER 678 Cb 1.08 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1sjj h SER 678 CO -0.17 0.47 -0.10 0.40 -0.53 0.00 0.00 176.83 176.90 1sjj h ILE 679 N 0.17 0.81 -0.56 2.23 1.08 0.17 -2.85 117.51 118.57 1sjj h ILE 679 Ca 0.07 -0.06 0.07 0.00 -0.39 0.00 0.00 64.86 64.55 1sjj h ILE 679 Cb 0.27 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 1sjj h ILE 679 CO 0.00 0.01 0.37 0.58 -0.69 0.00 0.00 178.15 178.43 1sjj h VAL 680 N -0.31 0.95 0.76 1.67 2.07 -0.96 -1.80 116.25 118.64 1sjj h VAL 680 Ca -0.03 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1sjj h VAL 680 Cb 0.23 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1sjj h VAL 680 CO 0.05 0.08 -0.37 -1.13 0.02 0.00 0.00 177.57 176.22 1sjj h ASN 681 N 0.46 -0.87 -0.59 0.57 -1.24 -1.40 -3.38 115.58 109.15 1sjj h ASN 681 Ca 0.25 0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.32 1sjj h ASN 681 Cb 0.37 0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.62 1sjj h ASN 681 CO -0.07 -0.55 0.39 0.22 -1.29 0.00 0.00 177.43 176.13 1sjj h TYR 682 N -1.14 0.62 -0.08 0.67 3.20 -1.08 -3.41 116.97 115.75 1sjj h TYR 682 Ca -0.10 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.79 1sjj h TYR 682 Cb 0.80 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1sjj h TYR 682 CO -0.01 0.35 -0.05 1.17 -1.64 0.00 0.00 178.16 177.98 1sjj n LYS 683 N -4.47 -0.04 0.00 1.82 4.81 -1.17 -3.72 118.16 115.38 1sjj n LYS 683 Ca 0.08 0.13 0.11 0.00 -0.87 0.00 0.00 58.31 57.75 1sjj n LYS 683 Cb 0.19 -0.19 0.64 0.00 0.02 0.00 0.00 35.03 35.68 1sjj n LYS 683 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1sjj n PRO 684 N -4.11 0.73 0.05 1.64 -0.04 -1.26 -1.28 135.00 130.73 1sjj n PRO 684 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.27 1sjj n PRO 684 Cb 0.02 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 31.92 1sjj n PRO 684 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1sjj h LYS 685 N 0.00 0.65 -0.92 0.54 1.57 -1.95 -1.73 116.57 114.72 1sjj h LYS 685 Ca 0.00 -0.73 0.19 0.00 -1.87 0.00 0.00 60.65 58.24 1sjj h LYS 685 Cb 0.00 0.21 -0.11 0.00 0.08 0.00 0.00 32.23 32.42 1sjj h LYS 685 CO 0.00 1.31 0.50 0.82 -0.57 0.00 0.00 179.45 181.51 1sjj h ILE 686 N 0.35 0.65 -0.33 1.86 1.08 -1.47 0.16 117.51 119.82 1sjj h ILE 686 Ca -0.13 -0.21 -0.17 0.00 -0.39 0.00 0.00 64.86 63.96 1sjj h ILE 686 Cb 1.72 -0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1sjj h ILE 686 CO 0.21 0.11 -0.45 0.44 -0.69 0.00 0.00 178.15 177.76 1sjj h ASP 687 N 0.62 0.97 -0.67 1.72 3.32 -1.63 -3.16 116.42 117.59 1sjj h ASP 687 Ca 0.54 -0.50 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1sjj h ASP 687 Cb 0.87 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1sjj h ASP 687 CO -0.42 1.28 0.44 1.56 -1.72 0.00 0.00 179.24 180.39 1sjj h GLN 688 N 0.69 0.87 -0.73 3.56 1.08 -0.32 -2.54 115.11 117.71 1sjj h GLN 688 Ca 0.04 -0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.29 1sjj h GLN 688 Cb 1.06 -0.20 -0.08 0.00 -0.05 0.00 0.00 27.48 28.22 1sjj h GLN 688 CO 0.11 0.57 0.36 -0.07 -0.95 0.00 0.00 178.83 178.85 1sjj h LEU 689 N 0.89 0.47 -2.12 1.46 3.38 -0.97 0.51 115.31 118.93 1sjj h LEU 689 Ca 0.25 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.35 1sjj h LEU 689 Cb -0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1sjj h LEU 689 CO -0.06 0.25 0.32 -0.33 0.09 0.00 0.00 178.44 178.71 1sjj h GLU 690 N 0.60 0.00 0.10 1.13 4.39 -1.47 -0.36 114.58 118.98 1sjj h GLU 690 Ca 0.37 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.73 1sjj h GLU 690 Cb 0.41 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1sjj h GLU 690 CO -0.29 0.00 -1.87 0.41 -1.16 0.00 0.00 179.01 176.11 1sjj n GLY 691 N -1.38 -0.61 0.25 -3.84 0.00 -0.16 -2.31 105.19 97.15 1sjj n GLY 691 Ca 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1sjj n GLY 691 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sjj h ASP 692 N -0.13 -0.66 -0.47 1.61 3.32 -0.60 -1.66 116.42 117.84 1sjj h ASP 692 Ca -0.41 0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 1sjj h ASP 692 Cb 1.90 0.39 -0.02 0.00 0.22 0.00 0.00 39.33 41.82 1sjj h ASP 692 CO 0.03 -0.22 0.28 -0.74 -1.72 0.00 0.00 179.24 176.87 1sjj h HIS 693 N -0.06 0.62 -0.10 4.55 2.76 -1.22 -2.80 115.15 118.91 1sjj h HIS 693 Ca 0.25 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.46 1sjj h HIS 693 Cb 0.45 -0.20 -0.06 0.00 1.55 0.00 0.00 27.41 29.15 1sjj h HIS 693 CO -0.49 0.44 -0.30 1.96 -1.30 0.00 0.00 177.93 178.25 1sjj h GLN 694 N 0.62 -0.38 0.00 5.26 1.08 -1.00 0.31 115.11 121.00 1sjj h GLN 694 Ca 0.17 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1sjj h GLN 694 Cb 0.01 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1sjj h GLN 694 CO -0.03 -0.25 0.00 1.04 -0.95 0.00 0.00 178.83 178.64 1sjj n GLN 695 N -5.40 0.15 -0.04 1.46 1.13 -0.68 -1.72 117.38 112.28 1sjj n GLN 695 Ca -0.03 0.43 -0.17 0.00 -1.94 0.00 0.00 57.00 55.29 1sjj n GLN 695 Cb 0.31 -1.81 -0.13 0.00 0.11 0.00 0.00 30.24 28.72 1sjj n GLN 695 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1sjj h ILE 696 N 0.00 1.55 0.00 5.09 2.04 -1.18 -3.36 117.51 121.65 1sjj h ILE 696 Ca 0.00 -2.37 -0.03 0.00 1.00 0.00 0.00 64.86 63.46 1sjj h ILE 696 Cb 0.28 3.14 -0.00 0.00 -0.74 0.00 0.00 36.82 39.49 1sjj h ILE 696 CO 0.00 0.60 -0.15 1.56 0.00 0.00 0.00 178.15 180.16 1sjj h GLN 697 N -0.81 0.00 0.00 2.37 1.08 0.48 -1.35 115.11 116.88 1sjj h GLN 697 Ca -0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1sjj h GLN 697 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1sjj h GLN 697 CO 0.01 0.15 -0.25 0.93 -0.95 0.00 0.00 178.83 178.71 1sjj h GLU 698 N 0.00 0.00 -0.01 1.46 4.39 -1.69 -3.28 114.58 115.45 1sjj h GLU 698 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sjj h GLU 698 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1sjj h GLU 698 CO 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.87 1sjj n ALA 699 N -1.83 2.61 -4.29 3.43 0.00 -0.52 -4.96 120.51 114.96 1sjj n ALA 699 Ca 0.05 -0.36 -0.36 0.00 0.00 0.00 0.00 53.44 52.77 1sjj n ALA 699 Cb 0.44 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 1sjj n ALA 699 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sjj n LEU 700 N -0.24 -1.46 -4.76 0.00 7.99 -1.17 -4.99 117.00 112.37 1sjj n LEU 700 Ca 0.21 -1.10 -0.31 0.00 -0.01 0.00 0.00 56.01 54.79 1sjj n LEU 700 Cb 0.26 -1.92 -0.07 0.00 -0.11 0.00 0.00 43.42 41.58 1sjj n LEU 700 CO 0.17 0.28 -0.27 0.27 -1.51 0.00 0.00 177.39 176.32 1sjj s ILE 701 N -3.48 4.50 0.00 -0.08 -5.25 -1.25 -5.00 121.20 110.65 1sjj s ILE 701 Ca 0.60 -0.65 0.00 0.00 -0.99 0.00 0.00 60.65 59.61 1sjj s ILE 701 Cb -0.34 -3.11 0.00 0.00 2.95 0.00 0.00 42.46 41.96 1sjj s ILE 701 CO 0.96 0.23 0.00 0.49 -1.79 0.00 0.00 174.94 174.82 1sjj n PHE 702 N 0.81 0.00 -1.05 1.37 3.01 -1.26 -4.55 117.46 115.79 1sjj n PHE 702 Ca -0.11 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.03 1sjj n PHE 702 Cb 0.52 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.88 1sjj n PHE 702 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1sjj n ASP 703 N -1.83 1.35 -4.55 4.37 5.75 -1.26 -4.93 116.55 115.45 1sjj n ASP 703 Ca 0.00 -2.52 -0.38 0.00 -0.01 0.00 0.00 54.79 51.88 1sjj n ASP 703 Cb 0.27 -1.09 -0.03 0.00 -1.03 0.00 0.00 41.12 39.25 1sjj n ASP 703 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1sjj s ASN 704 N 7.42 5.30 -0.33 -1.12 3.84 -1.26 -4.83 114.94 123.96 1sjj s ASN 704 Ca 0.73 0.27 0.02 0.00 0.21 0.00 0.00 52.86 54.09 1sjj s ASN 704 Cb 0.06 -2.53 0.39 0.00 -0.55 0.00 0.00 41.25 38.62 1sjj s ASN 704 CO 0.26 -2.37 1.71 0.29 -2.79 0.00 0.00 177.10 174.20 1sjj n LYS 705 N 9.19 1.88 0.02 0.43 5.02 -1.26 -4.19 118.16 129.24 1sjj n LYS 705 Ca 0.20 -1.98 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 1sjj n LYS 705 Cb 0.52 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1sjj n LYS 705 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1sjj n HIS 706 N -0.42 -0.25 -2.27 2.13 8.25 -1.26 -5.13 115.22 116.27 1sjj n HIS 706 Ca 0.39 0.04 -0.31 0.00 -0.26 0.00 0.00 57.72 57.59 1sjj n HIS 706 Cb 1.08 0.28 -0.01 0.00 1.12 0.00 0.00 29.99 32.45 1sjj n HIS 706 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1sjj s THR 707 N -2.00 4.67 -1.39 1.59 -1.32 -1.26 -5.00 115.64 110.93 1sjj s THR 707 Ca 0.00 0.91 0.13 0.00 -1.21 0.00 0.00 61.69 61.52 1sjj s THR 707 Cb 0.00 -3.80 0.24 0.00 -1.51 0.00 0.00 72.50 67.44 1sjj s THR 707 CO 0.00 -0.87 1.12 0.59 -2.21 0.00 0.00 174.62 173.25 1sjj n ASN 708 N -2.08 2.63 0.00 8.08 4.13 -1.26 -4.90 115.26 121.86 1sjj n ASN 708 Ca 0.05 -1.79 0.00 0.00 1.68 0.00 0.00 54.58 54.53 1sjj n ASN 708 Cb 0.54 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 1sjj n ASN 708 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1sjj n TYR 709 N 0.74 0.00 -0.15 3.10 4.01 -1.26 -5.16 117.16 118.45 1sjj n TYR 709 Ca 0.11 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.87 1sjj n TYR 709 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.42 1sjj n TYR 709 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1sjj n THR 710 N -0.95 -0.03 -0.05 -0.72 -2.24 -1.26 -4.67 114.28 104.37 1sjj n THR 710 Ca 0.00 0.06 -0.15 0.00 -2.27 0.00 0.00 64.05 61.69 1sjj n THR 710 Cb 0.00 -0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.04 1sjj n THR 710 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1sjj h MET 711 N -0.14 0.54 -0.41 -0.78 2.86 -2.01 -3.05 114.93 111.93 1sjj h MET 711 Ca -0.01 -0.38 0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1sjj h MET 711 Cb 0.14 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1sjj h MET 711 CO 0.01 1.00 0.27 0.93 1.06 0.00 0.00 176.91 180.18 1sjj h GLU 712 N 0.17 0.51 -0.26 1.72 4.39 -1.99 0.22 114.58 119.35 1sjj h GLU 712 Ca -0.01 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 1sjj h GLU 712 Cb 1.03 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1sjj h GLU 712 CO 0.09 0.34 -0.28 0.45 -1.16 0.00 0.00 179.01 178.45 1sjj h HIS 713 N 0.53 0.59 0.30 4.33 3.86 -1.82 0.76 115.15 123.69 1sjj h HIS 713 Ca 0.16 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1sjj h HIS 713 Cb -0.02 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.32 1sjj h HIS 713 CO -0.00 0.75 -0.14 0.82 0.86 0.00 0.00 177.93 180.22 1sjj h ILE 714 N 0.45 0.73 0.27 2.45 5.03 -0.95 0.56 117.51 126.05 1sjj h ILE 714 Ca 0.06 -0.49 0.00 0.00 -0.12 0.00 0.00 64.86 64.31 1sjj h ILE 714 Cb 0.72 0.99 -0.02 0.00 -3.03 0.00 0.00 36.82 35.48 1sjj h ILE 714 CO 0.06 0.10 -0.28 0.03 -0.68 0.00 0.00 178.15 177.38 1sjj h ARG 715 N -0.67 -0.56 -0.42 2.37 3.08 -0.62 0.64 114.38 118.20 1sjj h ARG 715 Ca -0.04 0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1sjj h ARG 715 Cb 0.47 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1sjj h ARG 715 CO 0.07 -0.37 0.05 0.28 -1.07 0.00 0.00 179.97 178.93 1sjj h VAL 716 N -0.58 1.25 -0.37 2.04 2.07 -0.97 0.49 116.25 120.18 1sjj h VAL 716 Ca -0.01 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1sjj h VAL 716 Cb 0.54 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1sjj h VAL 716 CO -0.06 0.31 0.19 1.23 0.02 0.00 0.00 177.57 179.26 1sjj h GLY 717 N 0.55 0.57 0.59 2.17 0.00 -0.74 0.26 103.07 106.47 1sjj h GLY 717 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1sjj h GLY 717 CO 0.01 0.26 -0.05 -0.25 0.00 0.00 0.00 176.54 176.51 1sjj h TRP 718 N 0.47 -0.13 0.00 5.60 2.91 -0.87 -1.45 115.95 122.48 1sjj h TRP 718 Ca 0.13 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.11 1sjj h TRP 718 Cb 0.09 0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 1sjj h TRP 718 CO -0.02 0.26 -0.19 0.93 -1.03 0.00 0.00 178.44 178.39 1sjj h GLU 719 N -0.55 0.00 0.04 2.65 4.39 -0.90 -1.96 114.58 118.25 1sjj h GLU 719 Ca -0.01 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.43 1sjj h GLU 719 Cb 0.44 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1sjj h GLU 719 CO 0.02 0.19 -1.06 0.37 -1.16 0.00 0.00 179.01 177.37 1sjj h GLN 720 N 0.00 0.49 -1.00 2.33 -0.00 -0.59 -3.33 115.11 113.02 1sjj h GLN 720 Ca -0.00 -0.59 0.20 0.00 -0.00 0.00 0.00 58.65 58.26 1sjj h GLN 720 Cb 0.74 0.18 -0.10 0.00 0.00 0.00 0.00 27.48 28.30 1sjj h GLN 720 CO 0.02 1.22 0.61 1.25 0.00 0.00 0.00 178.83 181.94 1sjj h LEU 721 N 0.25 0.71 -0.06 -2.39 5.85 -0.48 -0.63 115.31 118.58 1sjj h LEU 721 Ca -0.12 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1sjj h LEU 721 Cb 1.72 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.67 1sjj h LEU 721 CO 0.19 0.24 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.25 1sjj h LEU 722 N 0.69 -0.63 -1.74 2.25 4.07 -1.60 -1.61 115.31 116.74 1sjj h LEU 722 Ca 0.57 0.10 0.14 0.00 0.08 0.00 0.00 57.88 58.77 1sjj h LEU 722 Cb 0.99 0.27 -0.04 0.00 1.08 0.00 0.00 40.66 42.97 1sjj h LEU 722 CO -0.36 -0.27 0.45 0.74 -1.08 0.00 0.00 178.44 177.92 1sjj h THR 723 N -0.31 0.79 -0.13 0.22 2.02 -1.29 0.10 112.91 114.31 1sjj h THR 723 Ca 0.08 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 1sjj h THR 723 Cb 0.41 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1sjj h THR 723 CO -0.23 0.05 -0.18 0.74 0.37 0.00 0.00 175.52 176.26 1sjj h THR 724 N 0.26 1.37 -0.42 3.16 2.02 -0.29 -0.33 112.91 118.68 1sjj h THR 724 Ca 0.31 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 1sjj h THR 724 Cb 0.87 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.25 1sjj h THR 724 CO -0.07 0.41 0.18 0.16 0.37 0.00 0.00 175.52 176.57 1sjj h ILE 725 N -0.06 1.19 0.00 3.11 3.07 -1.26 -2.70 117.51 120.86 1sjj h ILE 725 Ca 0.01 -0.56 0.00 0.00 1.55 0.00 0.00 64.86 65.86 1sjj h ILE 725 Cb 0.75 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 1sjj h ILE 725 CO 0.04 0.21 0.00 0.00 -1.05 0.00 0.00 178.15 177.35 1sjj n ALA 726 N -2.30 2.26 -0.03 0.16 0.00 0.35 0.15 120.51 121.11 1sjj n ALA 726 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 1sjj n ALA 726 Cb 0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 1sjj n ALA 726 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sjj n ARG 727 N -0.74 1.33 -0.06 0.00 1.74 -0.18 -3.75 116.66 115.00 1sjj n ARG 727 Ca 0.08 0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 57.06 1sjj n ARG 727 Cb 0.04 -1.14 -0.06 0.00 -1.02 0.00 0.00 32.46 30.28 1sjj n ARG 727 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1sjj h THR 728 N 0.00 1.30 0.00 0.55 2.02 -1.23 -0.58 112.91 114.97 1sjj h THR 728 Ca -0.15 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 65.96 1sjj h THR 728 Cb 1.27 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1sjj h THR 728 CO -0.01 0.32 0.00 -0.38 0.37 0.00 0.00 175.52 175.82 1sjj n ILE 729 N -4.63 0.00 -1.20 3.11 5.41 0.12 -3.59 119.36 118.57 1sjj n ILE 729 Ca -0.05 1.40 -0.19 0.00 1.00 0.00 0.00 62.75 64.91 1sjj n ILE 729 Cb 0.29 -2.35 -0.10 0.00 -0.71 0.00 0.00 39.64 36.77 1sjj n ILE 729 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1sjj n ASN 730 N -1.80 5.88 -0.01 4.38 2.85 -1.24 -0.41 115.26 124.91 1sjj n ASN 730 Ca 0.00 -2.84 0.00 0.00 -0.11 0.00 0.00 54.58 51.63 1sjj n ASN 730 Cb 0.00 -1.30 -0.02 0.00 1.24 0.00 0.00 39.78 39.69 1sjj n ASN 730 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1sjj n GLU 731 N 1.60 1.41 0.12 1.20 1.02 -0.22 -4.77 120.64 120.99 1sjj n GLU 731 Ca 0.43 -0.02 -0.02 0.00 -0.02 0.00 0.00 57.16 57.54 1sjj n GLU 731 Cb 0.72 -1.07 0.07 0.00 -0.02 0.00 0.00 31.44 31.14 1sjj n GLU 731 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1sjj h VAL 732 N 0.00 1.38 0.00 2.62 2.07 -0.79 -2.90 116.25 118.63 1sjj h VAL 732 Ca -0.03 -2.52 -0.02 0.00 0.82 0.00 0.00 66.70 64.95 1sjj h VAL 732 Cb 0.52 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1sjj h VAL 732 CO 0.00 0.69 0.99 -0.62 0.02 0.00 0.00 177.57 178.65 1sjj n GLU 733 N -3.51 0.10 0.00 1.57 4.71 -1.08 -1.46 120.64 120.97 1sjj n GLU 733 Ca -0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 57.16 56.68 1sjj n GLU 733 Cb 0.73 -1.94 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 1sjj n GLU 733 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1sjj n ASN 734 N 4.65 0.00 0.15 1.62 2.85 -1.21 -4.98 115.26 118.34 1sjj n ASN 734 Ca 0.02 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.52 1sjj n ASN 734 Cb 0.01 0.00 0.40 0.00 1.24 0.00 0.00 39.78 41.43 1sjj n ASN 734 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1sjj h GLN 735 N 0.00 0.14 -0.29 1.20 1.08 -1.04 -0.87 115.11 115.32 1sjj h GLN 735 Ca 0.00 -0.04 -0.14 0.00 -1.45 0.00 0.00 58.65 57.02 1sjj h GLN 735 Cb 0.00 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1sjj h GLN 735 CO 0.00 0.34 -0.36 0.97 -0.95 0.00 0.00 178.83 178.83 1sjj h ILE 736 N 0.13 1.30 0.00 2.54 2.10 -1.91 -3.33 117.51 118.34 1sjj h ILE 736 Ca 0.02 -1.55 -0.01 0.00 1.08 0.00 0.00 64.86 64.40 1sjj h ILE 736 Cb 0.44 1.60 -0.00 0.00 -1.09 0.00 0.00 36.82 37.77 1sjj h ILE 736 CO 0.03 0.50 -0.06 -0.07 -1.08 0.00 0.00 178.15 177.47 1sjj h LEU 737 N 0.52 0.00 -5.90 2.19 3.38 -1.44 -3.45 115.31 110.60 1sjj h LEU 737 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sjj h LEU 737 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1sjj h LEU 737 CO 0.09 0.06 0.20 0.35 0.09 0.00 0.00 178.44 179.23 1sjj n THR 738 N -3.48 0.00 -3.89 0.22 -2.24 -0.91 -4.33 114.28 99.65 1sjj n THR 738 Ca -0.02 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 1sjj n THR 738 Cb 0.19 -0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 67.80 1sjj n THR 738 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sjj s ARG 739 N 1.27 1.92 -0.21 -0.78 1.81 -1.26 -5.01 118.95 116.70 1sjj s ARG 739 Ca 0.00 -2.17 -0.05 0.00 -1.72 0.00 0.00 55.73 51.79 1sjj s ARG 739 Cb 0.00 -3.42 -0.16 0.00 -0.45 0.00 0.00 34.95 30.92 1sjj s ARG 739 CO 0.00 -1.06 2.61 -0.40 -0.68 0.00 0.00 175.30 175.77 1sjj n ASP 740 N 3.91 4.07 0.00 0.23 5.68 -1.26 -2.23 116.55 126.95 1sjj n ASP 740 Ca 0.03 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 1sjj n ASP 740 Cb 0.39 -1.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.34 1sjj n ASP 740 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sjj n ALA 741 N 2.90 2.35 -0.14 2.12 0.00 -1.26 -4.90 120.51 121.57 1sjj n ALA 741 Ca 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.74 1sjj n ALA 741 Cb 0.55 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.02 1sjj n ALA 741 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1sjj h LYS 742 N 0.00 -0.05 0.00 0.00 2.10 -1.83 -3.48 116.57 113.31 1sjj h LYS 742 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1sjj h LYS 742 Cb 0.00 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1sjj h LYS 742 CO 0.00 -0.03 0.00 0.41 -2.00 0.00 0.00 179.45 177.83 1sjj n GLY 743 N -1.37 0.41 0.00 0.07 0.00 -1.26 -5.00 105.19 98.04 1sjj n GLY 743 Ca 0.04 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1sjj n GLY 743 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sjj n ILE 744 N 1.49 0.00 0.00 -0.61 5.41 -1.26 -4.87 119.36 119.51 1sjj n ILE 744 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1sjj n ILE 744 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1sjj n ILE 744 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1sjj n SER 745 N 0.00 0.00 0.00 4.38 3.41 -0.80 -4.94 113.62 115.67 1sjj n SER 745 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1sjj n SER 745 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1sjj n SER 745 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sjj n GLN 746 N 0.00 0.09 -0.08 4.33 1.13 -1.26 -5.08 117.38 116.51 1sjj n GLN 746 Ca 0.00 -0.37 -0.07 0.00 -1.94 0.00 0.00 57.00 54.62 1sjj n GLN 746 Cb 0.00 -0.53 0.00 0.00 0.11 0.00 0.00 30.24 29.82 1sjj n GLN 746 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 1sjj h GLU 747 N 0.00 0.12 0.00 -1.09 9.09 -1.99 0.27 114.58 120.99 1sjj h GLU 747 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1sjj h GLU 747 Cb 0.80 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 1sjj h GLU 747 CO 0.00 0.08 0.00 1.04 0.05 0.00 0.00 179.01 180.18 1sjj n GLN 748 N -5.13 0.00 0.05 1.06 6.02 -1.26 -2.58 117.38 115.54 1sjj n GLN 748 Ca 0.00 0.69 0.05 0.00 -0.01 0.00 0.00 57.00 57.73 1sjj n GLN 748 Cb 0.15 -1.47 0.24 0.00 1.02 0.00 0.00 30.24 30.17 1sjj n GLN 748 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sjj n MET 749 N -2.34 0.05 -0.05 -1.09 0.00 -1.13 -1.28 117.12 111.28 1sjj n MET 749 Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 57.70 58.07 1sjj n MET 749 Cb 0.00 -1.64 -0.10 0.00 0.00 0.00 0.00 33.22 31.48 1sjj n MET 749 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 1sjj h ASN 750 N 0.00 -0.02 -0.23 3.17 -0.26 -0.18 0.38 115.58 118.44 1sjj h ASN 750 Ca 0.00 -0.73 -0.02 0.00 -0.56 0.00 0.00 56.30 54.99 1sjj h ASN 750 Cb 0.08 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 1sjj h ASN 750 CO 0.00 0.81 0.10 -0.33 -1.06 0.00 0.00 177.43 176.95 1sjj h GLU 751 N -0.94 0.40 0.00 0.81 4.39 -1.33 0.23 114.58 118.14 1sjj h GLU 751 Ca -0.00 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 1sjj h GLU 751 Cb 0.75 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1sjj h GLU 751 CO 0.00 0.35 -0.46 0.35 -1.16 0.00 0.00 179.01 178.09 1sjj h PHE 752 N 0.40 0.00 0.03 4.33 3.04 -1.26 0.14 116.94 123.62 1sjj h PHE 752 Ca 0.10 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 1sjj h PHE 752 Cb 0.11 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1sjj h PHE 752 CO 0.00 0.46 -0.02 -0.09 -2.02 0.00 0.00 178.31 176.65 1sjj h ARG 753 N 0.00 -0.04 -1.00 1.11 1.12 0.43 -1.84 114.38 114.16 1sjj h ARG 753 Ca -0.00 0.00 0.10 0.00 -1.11 0.00 0.00 59.98 58.97 1sjj h ARG 753 Cb 0.92 0.01 -0.08 0.00 -0.01 0.00 0.00 29.97 30.81 1sjj h ARG 753 CO 0.06 0.11 0.64 0.00 -3.11 0.00 0.00 179.97 177.67 1sjj h ALA 754 N 0.78 1.47 0.71 2.80 0.00 -0.11 0.38 119.26 125.29 1sjj h ALA 754 Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1sjj h ALA 754 Cb 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sjj h ALA 754 CO 0.01 0.31 -0.44 0.77 0.00 0.00 0.00 179.25 179.89 1sjj h SER 755 N 1.06 -1.11 -0.79 0.00 0.02 -0.77 -2.78 113.55 109.18 1sjj h SER 755 Ca 0.47 0.06 0.15 0.00 -0.84 0.00 0.00 61.79 61.64 1sjj h SER 755 Cb 0.37 0.32 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 1sjj h SER 755 CO -0.23 -0.67 0.53 0.15 -1.14 0.00 0.00 176.83 175.46 1sjj h PHE 756 N -1.08 0.56 0.00 3.45 3.57 -0.94 -1.37 116.94 121.13 1sjj h PHE 756 Ca -0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1sjj h PHE 756 Cb 0.86 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1sjj h PHE 756 CO -0.08 0.21 0.00 -1.71 -2.23 0.00 0.00 178.31 174.50 1sjj n ASN 757 N -4.50 0.57 0.13 0.41 5.15 0.13 0.14 115.26 117.28 1sjj n ASN 757 Ca 0.15 0.68 -0.06 0.00 -0.60 0.00 0.00 54.58 54.75 1sjj n ASN 757 Cb 0.53 -0.79 -0.03 0.00 -0.53 0.00 0.00 39.78 38.96 1sjj n ASN 757 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1sjj h HIS 758 N 0.00 -0.35 0.00 1.20 3.86 -1.01 -3.37 115.15 115.48 1sjj h HIS 758 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1sjj h HIS 758 Cb 0.23 0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1sjj h HIS 758 CO 0.00 -0.22 0.00 1.19 0.86 0.00 0.00 177.93 179.76 1sjj n PHE 759 N -4.30 0.06 -0.24 2.45 3.01 -0.64 -3.31 117.46 114.48 1sjj n PHE 759 Ca -0.05 0.02 -0.05 0.00 1.01 0.00 0.00 57.45 58.38 1sjj n PHE 759 Cb 0.15 -0.53 -0.02 0.00 -0.01 0.00 0.00 39.48 39.06 1sjj n PHE 759 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1sjj n ASP 760 N -1.55 1.42 0.06 4.37 -0.08 0.12 -4.47 116.55 116.42 1sjj n ASP 760 Ca 0.03 -1.89 0.11 0.00 -1.51 0.00 0.00 54.79 51.54 1sjj n ASP 760 Cb 0.18 -0.48 0.45 0.00 2.34 0.00 0.00 41.12 43.61 1sjj n ASP 760 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1sjj n ARG 761 N 3.70 0.12 -0.01 -0.67 5.12 -1.21 -2.37 116.66 121.34 1sjj n ARG 761 Ca 0.12 0.23 -0.08 0.00 -1.93 0.00 0.00 57.85 56.19 1sjj n ARG 761 Cb 0.13 -1.68 -0.14 0.00 -1.16 0.00 0.00 32.46 29.61 1sjj n ARG 761 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1sjj h LYS 762 N 0.00 0.00 -6.07 5.56 1.57 -1.79 -3.49 116.57 112.35 1sjj h LYS 762 Ca 0.00 -0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1sjj h LYS 762 Cb 0.46 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.68 1sjj h LYS 762 CO 0.00 0.55 -0.44 1.17 -0.57 0.00 0.00 179.45 180.16 1sjj n LYS 763 N -3.08 -0.94 -0.02 3.15 0.00 -1.00 -4.81 118.16 111.45 1sjj n LYS 763 Ca -0.15 0.01 -0.04 0.00 0.00 0.00 0.00 58.31 58.13 1sjj n LYS 763 Cb 1.04 -1.51 -0.13 0.00 0.00 0.00 0.00 35.03 34.43 1sjj n LYS 763 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1sjj n THR 764 N -2.64 1.26 -0.09 3.15 -2.24 -1.26 -5.01 114.28 107.45 1sjj n THR 764 Ca -0.14 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1sjj n THR 764 Cb 0.31 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1sjj n THR 764 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sjj n GLY 765 N 1.52 0.73 3.63 3.38 0.00 -1.26 -5.18 105.19 108.02 1sjj n GLY 765 Ca -0.17 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 1sjj n GLY 765 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sjj s MET 766 N -1.88 0.36 0.08 1.61 -1.94 -1.26 -4.85 119.30 111.42 1sjj s MET 766 Ca 0.00 0.34 0.02 0.00 -1.71 0.00 0.00 55.69 54.34 1sjj s MET 766 Cb 0.00 0.17 -0.04 0.00 2.01 0.00 0.00 34.83 36.98 1sjj s MET 766 CO 0.00 -0.06 -0.07 0.00 -0.01 0.00 0.00 175.02 174.88 1sjj s MET 767 N -0.09 0.74 0.68 2.03 0.23 -1.25 -4.27 119.30 117.37 1sjj s MET 767 Ca 0.04 -1.14 -0.05 0.00 -1.03 0.00 0.00 55.69 53.51 1sjj s MET 767 Cb -0.04 -0.26 0.06 0.00 -1.53 0.00 0.00 34.83 33.05 1sjj s MET 767 CO -0.08 0.01 0.97 -0.51 -2.03 0.00 0.00 175.02 173.38 1sjj s ASP 768 N -2.54 4.89 0.00 -1.18 1.01 -1.26 -0.47 116.67 117.12 1sjj s ASP 768 Ca 0.05 0.36 0.18 0.00 0.71 0.00 0.00 52.55 53.84 1sjj s ASP 768 Cb -0.00 -1.04 0.87 0.00 1.01 0.00 0.00 42.92 43.76 1sjj s ASP 768 CO -0.03 -1.52 1.53 0.00 0.21 0.00 0.00 175.17 175.36 1sjj h GLU 770 N 0.00 0.31 -0.09 0.00 4.22 -1.94 -3.30 114.58 113.79 1sjj h GLU 770 Ca 0.00 -0.23 0.03 0.00 0.08 0.00 0.00 59.36 59.24 1sjj h GLU 770 Cb 0.18 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1sjj h GLU 770 CO 0.00 0.85 0.19 -0.44 -2.18 0.00 0.00 179.01 177.44 1sjj h ASP 771 N -0.18 0.00 0.04 1.04 3.32 -1.66 -1.33 116.42 117.66 1sjj h ASP 771 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1sjj h ASP 771 Cb 0.88 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 1sjj h ASP 771 CO 0.05 0.00 -0.08 0.15 -1.72 0.00 0.00 179.24 177.65 1sjj h PHE 772 N 0.00 -0.22 -0.93 4.55 3.57 -1.56 -0.36 116.94 121.99 1sjj h PHE 772 Ca 0.04 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.68 1sjj h PHE 772 Cb 0.42 0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.17 1sjj h PHE 772 CO 0.00 -0.10 0.54 -0.09 -2.23 0.00 0.00 178.31 176.44 1sjj h ARG 773 N -0.13 0.80 -0.71 1.11 2.43 -1.43 -0.38 114.38 116.06 1sjj h ARG 773 Ca -0.00 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1sjj h ARG 773 Cb 0.12 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1sjj h ARG 773 CO -0.03 0.53 0.26 0.00 -1.51 0.00 0.00 179.97 179.22 1sjj h ALA 774 N 1.54 0.93 0.00 2.80 0.00 -1.39 -3.30 119.26 119.84 1sjj h ALA 774 Ca 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1sjj h ALA 774 Cb 0.57 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1sjj h ALA 774 CO -0.31 0.58 -0.31 0.00 0.00 0.00 0.00 179.25 179.22 1sjj h LEU 776 N 0.00 0.56 -1.46 0.00 3.38 -1.37 -1.90 115.31 114.52 1sjj h LEU 776 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1sjj h LEU 776 Cb 0.96 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1sjj h LEU 776 CO 0.00 0.53 0.00 0.00 0.09 0.00 0.00 178.44 179.06 1sjj n ILE 777 N -4.66 0.50 0.08 1.22 3.06 -1.18 -0.05 119.36 118.33 1sjj n ILE 777 Ca 0.01 -0.25 -0.12 0.00 -2.50 0.00 0.00 62.75 59.88 1sjj n ILE 777 Cb 0.11 -0.46 -0.05 0.00 0.54 0.00 0.00 39.64 39.79 1sjj n ILE 777 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 1sjj h SER 778 N 0.73 0.41 0.00 9.51 0.87 -1.08 -3.38 113.55 120.60 1sjj h SER 778 Ca 0.00 -0.35 -0.25 0.00 -1.23 0.00 0.00 61.79 59.96 1sjj h SER 778 Cb 0.77 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 1sjj h SER 778 CO 0.09 1.17 -1.60 0.23 -0.53 0.00 0.00 176.83 176.18 1sjj n MET 779 N -3.67 0.55 0.01 2.24 2.81 -0.99 -5.06 117.12 113.01 1sjj n MET 779 Ca -0.06 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 1sjj n MET 779 Cb 0.86 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 1sjj n MET 779 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sjj n GLY 780 N 1.39 -1.58 3.53 3.03 0.00 0.93 -5.14 105.19 107.35 1sjj n GLY 780 Ca -0.34 0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 1sjj n GLY 780 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sjj s TYR 781 N -1.82 3.16 0.35 1.61 5.04 -1.16 -4.34 117.35 120.18 1sjj s TYR 781 Ca 0.00 -0.16 -0.06 0.00 -2.44 0.00 0.00 57.07 54.41 1sjj s TYR 781 Cb 0.00 -2.22 0.02 0.00 0.35 0.00 0.00 41.96 40.11 1sjj s TYR 781 CO 0.00 -0.16 0.56 0.54 -1.34 0.00 0.00 175.55 175.14 1sjj s ASN 782 N 1.26 0.66 0.00 4.32 6.03 -1.26 -4.63 114.94 121.33 1sjj s ASN 782 Ca 0.05 -1.38 0.00 0.00 -1.03 0.00 0.00 52.86 50.50 1sjj s ASN 782 Cb -0.14 0.71 0.00 0.00 -3.03 0.00 0.00 41.25 38.79 1sjj s ASN 782 CO 0.04 -1.39 0.00 0.23 -2.03 0.00 0.00 177.10 173.95 1sjj n MET 783 N -0.55 0.00 -3.87 3.55 2.81 -1.26 -5.12 117.12 112.68 1sjj n MET 783 Ca -0.01 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.83 1sjj n MET 783 Cb 0.61 -0.51 0.02 0.00 -0.71 0.00 0.00 33.22 32.63 1sjj n MET 783 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1sjj s GLY 784 N -4.73 0.17 0.00 3.03 0.00 -1.26 -5.05 107.32 99.48 1sjj s GLY 784 Ca 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 44.72 44.37 1sjj s GLY 784 CO 0.00 1.89 1.02 1.18 0.00 0.00 0.00 173.10 177.19 1sjj n GLU 785 N -0.67 0.19 -0.26 2.90 1.02 -1.26 -3.36 120.64 119.21 1sjj n GLU 785 Ca -0.04 0.09 -0.06 0.00 -0.02 0.00 0.00 57.16 57.14 1sjj n GLU 785 Cb 0.59 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.57 1sjj n GLU 785 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sjj h ALA 786 N 2.45 0.92 0.30 0.62 0.00 -1.97 -3.21 119.26 118.38 1sjj h ALA 786 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1sjj h ALA 786 Cb 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1sjj h ALA 786 CO 0.00 0.43 -0.14 1.49 0.00 0.00 0.00 179.25 181.02 1sjj h GLU 787 N 0.99 -0.39 -0.30 0.00 4.57 -2.01 -2.89 114.58 114.55 1sjj h GLU 787 Ca 0.25 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1sjj h GLU 787 Cb 0.02 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1sjj h GLU 787 CO -0.04 -0.26 0.12 0.27 -1.18 0.00 0.00 179.01 177.92 1sjj h PHE 788 N -0.70 0.41 0.00 0.92 -5.15 -1.84 -0.93 116.94 109.65 1sjj h PHE 788 Ca -0.04 -0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.72 1sjj h PHE 788 Cb 0.31 -0.13 0.00 0.00 0.22 0.00 0.00 35.95 36.35 1sjj h PHE 788 CO 0.05 0.32 0.00 0.00 -2.00 0.00 0.00 178.31 176.68 1sjj n ALA 789 N -2.49 1.48 -0.09 12.09 0.00 -1.21 -0.56 120.51 129.73 1sjj n ALA 789 Ca 0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 1sjj n ALA 789 Cb 0.13 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 1sjj n ALA 789 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1sjj h ARG 790 N 0.00 0.00 -0.35 0.00 2.43 -0.94 -3.41 114.38 112.11 1sjj h ARG 790 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1sjj h ARG 790 Cb 0.11 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1sjj h ARG 790 CO 0.00 0.87 -0.11 0.82 -1.51 0.00 0.00 179.97 180.04 1sjj h ILE 791 N -1.00 1.24 -0.15 1.20 1.08 -1.30 -3.26 117.51 115.32 1sjj h ILE 791 Ca -0.22 -1.06 0.05 0.00 -0.39 0.00 0.00 64.86 63.23 1sjj h ILE 791 Cb 1.11 1.09 -0.05 0.00 -3.07 0.00 0.00 36.82 35.90 1sjj h ILE 791 CO -0.14 0.36 -0.17 0.00 -0.69 0.00 0.00 178.15 177.51 1sjj h MET 792 N 0.56 -0.20 0.00 2.37 -0.00 -1.06 -2.16 114.93 114.45 1sjj h MET 792 Ca 0.10 0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.82 1sjj h MET 792 Cb 0.52 0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.16 1sjj h MET 792 CO 0.03 -0.13 0.00 -1.13 -0.00 0.00 0.00 176.91 175.68 1sjj n SER 793 N -5.32 0.00 -0.19 -0.10 3.41 -1.23 -0.04 113.62 110.16 1sjj n SER 793 Ca -0.02 -1.63 0.02 0.00 -0.26 0.00 0.00 58.87 56.97 1sjj n SER 793 Cb 0.23 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.22 1sjj n SER 793 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1sjj n ILE 794 N -0.60 0.76 -0.03 -1.33 -6.64 -0.86 -4.39 119.36 106.27 1sjj n ILE 794 Ca 0.05 -0.88 -0.03 0.00 -1.77 0.00 0.00 62.75 60.11 1sjj n ILE 794 Cb 0.02 0.64 -0.04 0.00 -1.44 0.00 0.00 39.64 38.81 1sjj n ILE 794 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 1sjj n VAL 795 N -0.09 0.38 -1.65 7.28 0.31 0.16 -4.63 118.33 120.09 1sjj n VAL 795 Ca 0.03 -0.22 -0.36 0.00 -0.01 0.00 0.00 64.34 63.78 1sjj n VAL 795 Cb 0.26 -0.84 0.06 0.00 -0.91 0.00 0.00 33.84 32.40 1sjj n VAL 795 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1sjj n ASP 796 N -2.28 7.37 -0.09 4.52 2.03 0.95 -4.62 116.55 124.43 1sjj n ASP 796 Ca -0.09 -3.81 0.04 0.00 0.52 0.00 0.00 54.79 51.45 1sjj n ASP 796 Cb 0.67 -0.96 0.20 0.00 -0.72 0.00 0.00 41.12 40.31 1sjj n ASP 796 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1sjj n PRO 797 N -0.74 1.11 0.00 -0.67 -0.04 -1.26 -4.00 135.00 129.41 1sjj n PRO 797 Ca 0.57 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1sjj n PRO 797 Cb 0.50 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1sjj n PRO 797 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1sjj n ASN 798 N -0.45 0.00 0.00 3.54 0.23 -1.26 -5.08 115.26 112.24 1sjj n ASN 798 Ca 0.06 0.14 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 1sjj n ASN 798 Cb 0.06 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.46 1sjj n ASN 798 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1sjj n ARG 799 N -1.77 0.00 0.05 -3.83 0.00 -1.26 -5.10 116.66 104.75 1sjj n ARG 799 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1sjj n ARG 799 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1sjj n ARG 799 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1sjj n MET 800 N 0.00 0.00 -1.88 2.89 1.56 -1.26 -5.08 117.12 113.35 1sjj n MET 800 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1sjj n MET 800 Cb 0.00 -0.06 0.00 0.00 2.15 0.00 0.00 33.22 35.31 1sjj n MET 800 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1sjj n GLY 801 N 1.71 0.82 2.91 -5.12 0.00 -1.26 -5.00 105.19 99.25 1sjj n GLY 801 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1sjj n GLY 801 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sjj s VAL 802 N -2.45 1.55 -0.62 1.61 -7.23 -1.26 -0.98 120.40 111.03 1sjj s VAL 802 Ca 0.00 -1.51 -0.22 0.00 -1.81 0.00 0.00 61.98 58.44 1sjj s VAL 802 Cb 0.00 -1.96 0.06 0.00 0.56 0.00 0.00 36.38 35.04 1sjj s VAL 802 CO 0.00 -0.34 0.91 0.54 -0.31 0.00 0.00 175.10 175.90 1sjj s VAL 803 N 1.34 4.43 0.33 1.32 0.11 0.38 -4.91 120.40 123.39 1sjj s VAL 803 Ca 0.01 -0.28 -0.06 0.00 -2.93 0.00 0.00 61.98 58.73 1sjj s VAL 803 Cb -0.19 -4.60 0.08 0.00 -1.53 0.00 0.00 36.38 30.14 1sjj s VAL 803 CO -0.11 -1.29 0.45 0.35 -3.33 0.00 0.00 175.10 171.17 1sjj n THR 804 N 5.93 0.00 1.00 5.04 -2.24 -1.26 -3.81 114.28 118.94 1sjj n THR 804 Ca -0.03 -0.34 0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1sjj n THR 804 Cb 0.46 -1.82 0.09 0.00 -2.10 0.00 0.00 70.33 66.96 1sjj n THR 804 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1sjj n PHE 805 N -2.61 0.00 0.09 4.78 -0.00 -1.26 -1.27 117.46 117.20 1sjj n PHE 805 Ca 0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.28 1sjj n PHE 805 Cb 0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 39.48 39.54 1sjj n PHE 805 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 1sjj h GLN 806 N 4.55 0.58 0.00 -4.13 4.15 -1.99 -1.19 115.11 117.08 1sjj h GLN 806 Ca 0.00 -0.80 0.00 0.00 0.77 0.00 0.00 58.65 58.62 1sjj h GLN 806 Cb 0.98 0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1sjj h GLN 806 CO 0.00 1.37 0.00 0.00 -1.93 0.00 0.00 178.83 178.27 1sjj h ALA 807 N 0.25 1.00 0.06 3.38 0.00 -1.95 -3.03 119.26 118.98 1sjj h ALA 807 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 1sjj h ALA 807 Cb 1.89 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1sjj h ALA 807 CO 0.23 0.00 -1.05 0.35 0.00 0.00 0.00 179.25 178.78 1sjj h PHE 808 N 0.00 0.24 -0.58 0.00 3.04 -1.16 -3.37 116.94 115.11 1sjj h PHE 808 Ca 0.00 -0.18 0.04 0.00 3.98 0.00 0.00 57.97 61.81 1sjj h PHE 808 Cb 0.47 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.94 1sjj h PHE 808 CO 0.00 1.41 0.39 -0.84 -2.02 0.00 0.00 178.31 177.25 1sjj h ILE 809 N -0.63 1.06 0.00 1.41 -0.00 -1.28 -3.37 117.51 114.70 1sjj h ILE 809 Ca -0.25 -0.23 -0.22 0.00 -0.00 0.00 0.00 64.86 64.17 1sjj h ILE 809 Cb 1.48 0.34 -0.06 0.00 -0.00 0.00 0.00 36.82 38.59 1sjj h ILE 809 CO -0.02 0.12 0.08 -0.90 -0.00 0.00 0.00 178.15 177.43 1sjj n ASP 810 N -4.47 5.18 0.00 2.16 5.75 -1.15 -0.41 116.55 123.61 1sjj n ASP 810 Ca 0.07 -2.42 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1sjj n ASP 810 Cb 0.15 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 38.91 1sjj n ASP 810 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1sjj n PHE 811 N 2.66 0.00 -0.24 2.11 1.16 -1.26 -4.62 117.46 117.26 1sjj n PHE 811 Ca 0.43 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 56.05 1sjj n PHE 811 Cb 0.79 0.00 0.16 0.00 -1.61 0.00 0.00 39.48 38.81 1sjj n PHE 811 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 1sjj h MET 812 N 0.00 0.42 0.04 3.97 2.86 -1.56 -2.88 114.93 117.80 1sjj h MET 812 Ca 0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1sjj h MET 812 Cb 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1sjj h MET 812 CO 0.00 0.28 -0.02 0.66 1.06 0.00 0.00 176.91 178.89 1sjj h SER 813 N 0.44 -0.05 1.00 1.22 4.64 -1.06 -3.36 113.55 116.38 1sjj h SER 813 Ca 0.38 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1sjj h SER 813 Cb 0.54 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1sjj h SER 813 CO -0.37 0.65 -0.01 0.54 -0.87 0.00 0.00 176.83 176.77 1sjj n ARG 814 N -4.78 0.01 0.10 4.77 1.74 -1.22 -2.12 116.66 115.17 1sjj n ARG 814 Ca -0.08 0.01 -0.06 0.00 -0.77 0.00 0.00 57.85 56.94 1sjj n ARG 814 Cb 0.33 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1sjj n ARG 814 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1sjj h GLU 815 N 0.00 -0.33 -0.72 5.56 5.08 -1.70 -3.39 114.58 119.08 1sjj h GLU 815 Ca 0.00 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.55 1sjj h GLU 815 Cb 0.51 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1sjj h GLU 815 CO 0.00 -0.16 0.49 1.15 -1.00 0.00 0.00 179.01 179.49 1sjj h THR 816 N -1.07 0.75 -0.90 1.13 2.02 -1.60 -3.42 112.91 109.82 1sjj h THR 816 Ca -0.03 -0.09 -0.49 0.00 0.77 0.00 0.00 66.41 66.57 1sjj h THR 816 Cb 0.32 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1sjj h THR 816 CO 0.06 0.05 1.68 0.00 0.37 0.00 0.00 175.52 177.68 1sjj n ALA 817 N -2.57 0.59 -3.47 6.16 0.00 -0.90 -0.58 120.51 119.74 1sjj n ALA 817 Ca 0.14 -0.62 -0.14 0.00 0.00 0.00 0.00 53.44 52.82 1sjj n ALA 817 Cb 0.60 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.27 1sjj n ALA 817 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1sjj n ASP 818 N 13.35 -6.15 -0.26 0.00 2.03 -1.26 -4.91 116.55 119.35 1sjj n ASP 818 Ca 0.50 -0.57 0.03 0.00 0.52 0.00 0.00 54.79 55.26 1sjj n ASP 818 Cb 0.31 -3.28 0.04 0.00 -0.72 0.00 0.00 41.12 37.48 1sjj n ASP 818 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1sjj n THR 819 N -2.25 0.67 -1.36 5.18 -1.04 0.26 -4.91 114.28 110.83 1sjj n THR 819 Ca -0.18 -0.79 -0.30 0.00 -2.04 0.00 0.00 64.05 60.74 1sjj n THR 819 Cb 0.61 0.34 0.11 0.00 -1.82 0.00 0.00 70.33 69.56 1sjj n THR 819 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1sjj s ASP 820 N -1.45 4.15 0.00 8.00 2.15 -1.24 -4.39 116.67 123.89 1sjj s ASP 820 Ca 0.10 1.49 0.32 0.00 0.43 0.00 0.00 52.55 54.89 1sjj s ASP 820 Cb 0.09 -2.21 1.84 0.00 -0.30 0.00 0.00 42.92 42.33 1sjj s ASP 820 CO 0.01 -2.21 2.19 0.41 -0.17 0.00 0.00 175.17 175.40 1sjj n THR 821 N -3.61 0.00 0.00 1.71 -1.04 -1.26 -0.33 114.28 109.75 1sjj n THR 821 Ca 0.07 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1sjj n THR 821 Cb 0.55 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 1sjj n THR 821 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sjj n ALA 822 N -0.93 0.00 -0.34 2.41 0.00 -1.26 -4.51 120.51 115.87 1sjj n ALA 822 Ca 0.23 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.68 1sjj n ALA 822 Cb 0.13 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.75 1sjj n ALA 822 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1sjj h ASP 823 N 0.00 0.95 0.47 0.00 3.32 -1.90 -0.91 116.42 118.35 1sjj h ASP 823 Ca 0.00 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1sjj h ASP 823 Cb 0.00 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1sjj h ASP 823 CO 0.00 0.60 -0.14 -0.61 -1.72 0.00 0.00 179.24 177.37 1sjj h GLN 824 N 1.08 0.00 0.21 3.56 5.75 -0.88 -1.14 115.11 123.69 1sjj h GLN 824 Ca 0.41 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.59 1sjj h GLN 824 Cb 0.19 0.00 0.03 0.00 1.07 0.00 0.00 27.48 28.77 1sjj h GLN 824 CO -0.18 0.14 -1.39 0.28 -2.65 0.00 0.00 178.83 175.03 1sjj h VAL 825 N 0.00 1.33 -0.31 2.39 2.07 -1.37 -2.84 116.25 117.51 1sjj h VAL 825 Ca -0.00 -2.74 0.07 0.00 0.82 0.00 0.00 66.70 64.85 1sjj h VAL 825 Cb 0.41 2.96 -0.08 0.00 -1.52 0.00 0.00 31.29 33.07 1sjj h VAL 825 CO 0.02 0.82 -0.25 0.24 0.02 0.00 0.00 177.57 178.41 1sjj h MET 826 N 0.15 -0.21 -0.73 1.57 2.86 -0.75 -2.27 114.93 115.55 1sjj h MET 826 Ca -0.22 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.59 1sjj h MET 826 Cb 2.09 0.05 -0.11 0.00 0.06 0.00 0.00 31.60 33.69 1sjj h MET 826 CO 0.26 -0.14 0.20 0.00 1.06 0.00 0.00 176.91 178.29 1sjj h ALA 827 N 0.87 0.97 -0.67 6.32 0.00 -1.30 -2.35 119.26 123.10 1sjj h ALA 827 Ca 0.16 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1sjj h ALA 827 Cb 0.47 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1sjj h ALA 827 CO -0.44 -0.31 0.41 0.77 0.00 0.00 0.00 179.25 179.67 1sjj h SER 828 N 0.30 0.66 -0.76 0.00 0.02 -1.16 -3.06 113.55 109.56 1sjj h SER 828 Ca 0.41 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1sjj h SER 828 Cb 0.69 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 1sjj h SER 828 CO -0.48 0.45 0.49 -0.26 -1.14 0.00 0.00 176.83 175.89 1sjj h PHE 829 N 0.80 0.97 -0.79 3.45 0.04 -0.97 -3.21 116.94 117.22 1sjj h PHE 829 Ca 0.28 0.02 0.17 0.00 2.80 0.00 0.00 57.97 61.23 1sjj h PHE 829 Cb 0.05 -0.33 -0.15 0.00 2.20 0.00 0.00 35.95 37.73 1sjj h PHE 829 CO -0.05 0.62 -0.11 0.87 -0.60 0.00 0.00 178.31 179.04 1sjj h LYS 830 N 1.04 0.03 -0.29 1.51 1.57 -1.41 -1.68 116.57 117.34 1sjj h LYS 830 Ca 0.28 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 1sjj h LYS 830 Cb -0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1sjj h LYS 830 CO -0.06 0.02 -0.39 0.82 -0.57 0.00 0.00 179.45 179.27 1sjj h ILE 831 N 0.03 1.29 -0.51 1.86 2.04 -1.70 0.25 117.51 120.77 1sjj h ILE 831 Ca 0.41 -1.56 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 1sjj h ILE 831 Cb 0.68 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1sjj h ILE 831 CO -0.77 0.50 0.08 -0.07 0.00 0.00 0.00 178.15 177.89 1sjj h LEU 832 N 0.57 0.76 0.23 1.44 4.07 -1.41 -2.64 115.31 118.33 1sjj h LEU 832 Ca 0.05 -0.15 -0.31 0.00 0.08 0.00 0.00 57.88 57.54 1sjj h LEU 832 Cb 0.92 -0.20 0.03 0.00 1.08 0.00 0.00 40.66 42.50 1sjj h LEU 832 CO 0.08 0.78 -1.41 0.00 -1.08 0.00 0.00 178.44 176.81 1sjj h ALA 833 N 1.32 -0.10 0.00 1.53 0.00 -1.45 -3.47 119.26 117.09 1sjj h ALA 833 Ca 0.16 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1sjj h ALA 833 Cb 0.35 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1sjj h ALA 833 CO 0.01 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1sjj n GLY 834 N 1.73 0.17 3.11 0.00 0.00 0.83 -4.71 105.19 106.32 1sjj n GLY 834 Ca -0.18 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1sjj n GLY 834 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sjj n ASP 835 N 0.00 0.00 -3.67 1.61 8.00 -0.90 -4.95 116.55 116.64 1sjj n ASP 835 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1sjj n ASP 835 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 1sjj n ASP 835 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1sjj s LYS 836 N -4.02 0.15 0.52 -1.24 1.02 -1.26 -5.07 119.74 109.84 1sjj s LYS 836 Ca 0.00 0.74 0.30 0.00 0.02 0.00 0.00 55.97 57.03 1sjj s LYS 836 Cb 0.00 -0.04 1.44 0.00 -0.52 0.00 0.00 37.83 38.71 1sjj s LYS 836 CO 0.00 -0.28 1.87 -0.91 -0.92 0.00 0.00 175.35 175.11 1sjj h ASN 837 N 8.22 0.06 -3.01 2.83 -0.26 -1.92 -3.40 115.58 118.09 1sjj h ASN 837 Ca -0.16 0.01 -0.61 0.00 -0.56 0.00 0.00 56.30 54.98 1sjj h ASN 837 Cb 1.12 -0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.31 1sjj h ASN 837 CO 0.15 0.02 -0.25 -0.72 -1.06 0.00 0.00 177.43 175.56 1sjj s TYR 838 N -5.04 3.66 -0.01 1.19 -0.85 -1.26 -3.59 117.35 111.46 1sjj s TYR 838 Ca -0.05 0.87 0.07 0.00 -0.52 0.00 0.00 57.07 57.43 1sjj s TYR 838 Cb 0.22 -2.26 -0.02 0.00 0.38 0.00 0.00 41.96 40.28 1sjj s TYR 838 CO 0.78 0.58 -0.21 -1.50 -1.52 0.00 0.00 175.55 173.67 1sjj s ILE 839 N -0.77 1.70 0.14 -3.49 2.07 -0.87 -4.79 121.20 115.18 1sjj s ILE 839 Ca 0.22 -0.97 -0.10 0.00 -1.41 0.00 0.00 60.65 58.39 1sjj s ILE 839 Cb -0.15 -1.42 -0.06 0.00 0.13 0.00 0.00 42.46 40.95 1sjj s ILE 839 CO 0.11 0.43 0.47 -0.89 -1.91 0.00 0.00 174.94 173.15 1sjj s THR 840 N -0.55 5.01 0.14 4.00 2.01 -1.26 0.28 115.64 125.27 1sjj s THR 840 Ca 0.08 0.50 -0.25 0.00 0.31 0.00 0.00 61.69 62.33 1sjj s THR 840 Cb -0.08 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 1sjj s THR 840 CO -0.00 0.17 1.62 0.58 -0.69 0.00 0.00 174.62 176.29 1sjj h VAL 841 N 2.56 0.32 0.00 3.82 2.07 -1.80 -0.93 116.25 122.29 1sjj h VAL 841 Ca -0.48 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1sjj h VAL 841 Cb 1.18 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1sjj h VAL 841 CO 0.68 0.00 -0.00 0.44 0.02 0.00 0.00 177.57 178.71 1sjj h ASP 842 N -0.35 0.00 0.00 0.57 3.32 -1.87 0.34 116.42 118.43 1sjj h ASP 842 Ca 0.11 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1sjj h ASP 842 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1sjj h ASP 842 CO -0.36 0.00 -0.33 -0.33 -1.72 0.00 0.00 179.24 176.50 1sjj h GLU 843 N 0.00 0.00 -0.44 3.56 5.08 -1.69 -3.09 114.58 117.99 1sjj h GLU 843 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1sjj h GLU 843 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1sjj h GLU 843 CO 0.00 0.65 -0.08 1.37 -1.00 0.00 0.00 179.01 179.95 1sjj h LEU 844 N -1.00 0.75 -3.74 1.33 8.10 -1.12 -1.67 115.31 117.96 1sjj h LEU 844 Ca -0.08 -0.21 -0.32 0.00 0.11 0.00 0.00 57.88 57.39 1sjj h LEU 844 Cb 0.77 -0.20 -0.12 0.00 -0.44 0.00 0.00 40.66 40.67 1sjj h LEU 844 CO -0.05 0.87 0.28 -1.14 -4.11 0.00 0.00 178.44 174.29 1sjj n ARG 845 N -4.18 1.88 0.06 0.17 0.00 0.12 -1.20 116.66 113.51 1sjj n ARG 845 Ca 0.02 -1.51 0.00 0.00 -0.00 0.00 0.00 57.85 56.35 1sjj n ARG 845 Cb 0.34 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 31.09 1sjj n ARG 845 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1sjj n ARG 846 N 0.84 0.00 -0.00 -0.14 3.00 -0.65 -4.75 116.66 114.96 1sjj n ARG 846 Ca 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 58.14 1sjj n ARG 846 Cb 0.59 -0.42 -0.02 0.00 0.00 0.00 0.00 32.46 32.62 1sjj n ARG 846 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1sjj h GLU 847 N 0.00 -0.12 -7.00 -0.14 4.39 -1.45 -3.46 114.58 106.82 1sjj h GLU 847 Ca 0.00 0.01 -0.46 0.00 0.34 0.00 0.00 59.36 59.24 1sjj h GLU 847 Cb 0.00 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1sjj h GLU 847 CO 0.00 -0.08 0.37 -0.51 -1.16 0.00 0.00 179.01 177.64 1sjj s LEU 848 N -6.25 4.07 0.87 1.33 1.43 -0.34 -5.05 118.68 114.74 1sjj s LEU 848 Ca -0.03 1.88 -0.12 0.00 -1.03 0.00 0.00 54.13 54.83 1sjj s LEU 848 Cb 0.02 -4.32 0.11 0.00 0.03 0.00 0.00 46.19 42.03 1sjj s LEU 848 CO 0.13 -0.42 1.14 -2.65 0.23 0.00 0.00 176.35 174.78 1sjj n PRO 849 N -0.27 -0.17 0.23 1.29 -0.02 -1.26 -4.46 135.00 130.33 1sjj n PRO 849 Ca 0.06 0.02 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 1sjj n PRO 849 Cb 0.51 -2.38 0.44 0.00 -0.02 0.00 0.00 33.50 32.05 1sjj n PRO 849 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1sjj h PRO 850 N -1.45 0.00 0.00 0.52 0.13 -1.97 0.11 132.00 129.35 1sjj h PRO 850 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1sjj h PRO 850 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1sjj h PRO 850 CO 0.43 0.18 -0.18 -0.40 -0.23 0.00 0.00 178.00 177.79 1sjj n ASP 851 N -3.28 0.43 -0.04 1.44 5.68 -1.26 -1.93 116.55 117.59 1sjj n ASP 851 Ca 0.01 0.33 -0.22 0.00 -0.50 0.00 0.00 54.79 54.42 1sjj n ASP 851 Cb 0.44 -0.35 -0.13 0.00 -1.14 0.00 0.00 41.12 39.94 1sjj n ASP 851 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1sjj h GLN 852 N 0.00 0.16 0.00 0.11 7.50 -1.44 -3.39 115.11 118.04 1sjj h GLN 852 Ca 0.00 -0.27 0.00 0.00 0.50 0.00 0.00 58.65 58.88 1sjj h GLN 852 Cb 0.61 0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.24 1sjj h GLN 852 CO 0.00 1.13 0.00 0.00 -1.50 0.00 0.00 178.83 178.46 1sjj n ALA 853 N -3.15 0.00 -0.33 3.87 0.00 0.21 -3.67 120.51 117.44 1sjj n ALA 853 Ca -0.30 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.19 1sjj n ALA 853 Cb 0.87 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.44 1sjj n ALA 853 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sjj n GLU 854 N 0.00 -0.09 -0.28 0.00 -0.58 -0.81 -0.29 120.64 118.59 1sjj n GLU 854 Ca 0.00 1.43 0.10 0.00 -0.42 0.00 0.00 57.16 58.27 1sjj n GLU 854 Cb 0.00 -2.14 0.24 0.00 -0.57 0.00 0.00 31.44 28.97 1sjj n GLU 854 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1sjj h TYR 855 N 0.00 0.35 0.00 -0.32 5.03 -1.76 -1.11 116.97 119.16 1sjj h TYR 855 Ca 0.44 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.79 1sjj h TYR 855 Cb 0.67 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.92 1sjj h TYR 855 CO -0.71 -0.13 0.00 0.00 -1.32 0.00 0.00 178.16 176.00 1sjj n ILE 857 N -2.46 0.80 0.93 0.00 5.41 -0.43 -1.78 119.36 121.83 1sjj n ILE 857 Ca 0.05 0.17 0.11 0.00 1.00 0.00 0.00 62.75 64.08 1sjj n ILE 857 Cb 0.44 -1.09 0.07 0.00 -0.71 0.00 0.00 39.64 38.34 1sjj n ILE 857 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sjj n ALA 858 N -1.78 2.69 -0.08 -1.39 0.00 -1.11 -4.57 120.51 114.28 1sjj n ALA 858 Ca 0.02 -0.66 -0.12 0.00 0.00 0.00 0.00 53.44 52.69 1sjj n ALA 858 Cb 0.25 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 1sjj n ALA 858 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sjj n ARG 859 N 0.96 0.50 -3.71 0.00 5.12 -0.93 -5.05 116.66 113.54 1sjj n ARG 859 Ca 0.12 0.09 -0.23 0.00 -1.93 0.00 0.00 57.85 55.90 1sjj n ARG 859 Cb 0.53 -1.34 -0.02 0.00 -1.16 0.00 0.00 32.46 30.47 1sjj n ARG 859 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sjj s MET 860 N -2.34 3.47 0.53 5.56 0.23 -0.73 -4.75 119.30 121.26 1sjj s MET 860 Ca -0.22 -0.54 0.00 0.00 -1.03 0.00 0.00 55.69 53.90 1sjj s MET 860 Cb 0.06 -2.80 0.02 0.00 -1.53 0.00 0.00 34.83 30.58 1sjj s MET 860 CO 0.40 0.32 0.76 0.00 -2.03 0.00 0.00 175.02 174.48 1sjj s ALA 861 N -2.09 3.77 1.07 3.16 0.00 -1.21 -4.86 121.76 121.60 1sjj s ALA 861 Ca 0.37 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 1sjj s ALA 861 Cb -0.10 -2.16 0.23 0.00 0.00 0.00 0.00 23.12 21.10 1sjj s ALA 861 CO 0.32 -0.67 1.06 -1.25 0.00 0.00 0.00 175.76 175.22 1sjj s PRO 862 N -4.74 -0.13 0.00 0.00 0.04 -1.26 -0.04 135.00 128.86 1sjj s PRO 862 Ca 0.54 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1sjj s PRO 862 Cb -0.10 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1sjj s PRO 862 CO 0.39 -3.17 0.00 2.48 0.04 0.00 0.00 177.00 176.74 1sjj n TYR 863 N -4.51 0.00 0.00 0.56 4.11 -1.03 -4.16 117.16 112.12 1sjj n TYR 863 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.95 1sjj n TYR 863 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 1sjj n TYR 863 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 1sjj n ASN 864 N -0.08 0.00 0.00 9.48 0.23 -1.26 -4.50 115.26 119.13 1sjj n ASN 864 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1sjj n ASN 864 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1sjj n ASN 864 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1sjj n GLY 865 N 0.00 0.04 0.00 4.83 0.00 -1.26 -5.12 105.19 103.68 1sjj n GLY 865 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sjj n GLY 865 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjj n ARG 866 N -0.09 0.00 -1.17 1.61 1.74 -1.26 -5.12 116.66 112.37 1sjj n ARG 866 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1sjj n ARG 866 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.55 1sjj n ARG 866 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1sjj s ASP 867 N 1.00 4.09 -0.06 0.55 -0.00 -1.26 -5.07 116.67 115.92 1sjj s ASP 867 Ca 0.00 2.00 0.05 0.00 -0.00 0.00 0.00 52.55 54.60 1sjj s ASP 867 Cb 0.00 -2.54 -0.01 0.00 -0.00 0.00 0.00 42.92 40.37 1sjj s ASP 867 CO 0.00 -2.32 -0.21 0.00 -0.00 0.00 0.00 175.17 172.64 1sjj s ALA 868 N -2.68 1.89 0.36 5.23 0.00 -1.26 -5.01 121.76 120.29 1sjj s ALA 868 Ca 0.65 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.81 1sjj s ALA 868 Cb -0.20 -0.62 -0.06 0.00 0.00 0.00 0.00 23.12 22.24 1sjj s ALA 868 CO 0.54 0.34 0.06 0.14 0.00 0.00 0.00 175.76 176.84 1sjj s VAL 869 N -0.00 2.51 -0.94 0.00 -7.23 -1.26 -5.04 120.40 108.44 1sjj s VAL 869 Ca -0.06 -1.89 -0.24 0.00 -1.81 0.00 0.00 61.98 57.99 1sjj s VAL 869 Cb -0.13 -2.88 0.01 0.00 0.56 0.00 0.00 36.38 33.93 1sjj s VAL 869 CO 0.04 -0.13 1.66 -2.16 -0.31 0.00 0.00 175.10 174.19 1sjj s PRO 870 N -3.77 3.11 0.00 4.82 0.04 -1.26 -3.59 135.00 134.35 1sjj s PRO 870 Ca 0.37 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.74 1sjj s PRO 870 Cb 0.02 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.42 1sjj s PRO 870 CO 0.20 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 174.95 1sjj n GLY 871 N 6.75 0.92 3.73 0.56 0.00 -1.26 -4.86 105.19 111.02 1sjj n GLY 871 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 1sjj n GLY 871 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjj s ALA 872 N -1.71 3.25 0.54 4.61 0.00 -1.24 -2.35 121.76 124.86 1sjj s ALA 872 Ca 0.00 0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.50 1sjj s ALA 872 Cb 0.00 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 19.96 1sjj s ALA 872 CO 0.00 -0.07 0.53 -0.51 0.00 0.00 0.00 175.76 175.71 1sjj s LEU 873 N 0.33 2.90 -0.13 0.00 1.02 0.14 -2.47 118.68 120.47 1sjj s LEU 873 Ca 0.46 -1.07 -0.01 0.00 0.02 0.00 0.00 54.13 53.53 1sjj s LEU 873 Cb -0.22 -1.42 0.04 0.00 0.02 0.00 0.00 46.19 44.61 1sjj s LEU 873 CO 0.27 -1.14 -0.04 -0.62 0.02 0.00 0.00 176.35 174.84 1sjj s ASP 874 N -4.39 2.40 0.10 2.29 -1.08 0.94 -2.05 116.67 114.87 1sjj s ASP 874 Ca 0.44 -0.45 0.26 0.00 -0.52 0.00 0.00 52.55 52.28 1sjj s ASP 874 Cb -0.03 -0.77 0.73 0.00 -1.46 0.00 0.00 42.92 41.38 1sjj s ASP 874 CO 0.28 -0.18 1.62 0.00 0.52 0.00 0.00 175.17 177.41 1sjj n TYR 875 N 4.96 0.43 0.05 -5.34 0.18 -1.24 -3.36 117.16 112.85 1sjj n TYR 875 Ca -0.11 0.13 -0.11 0.00 1.88 0.00 0.00 57.90 59.69 1sjj n TYR 875 Cb 0.49 -0.63 -0.08 0.00 -0.38 0.00 0.00 39.34 38.74 1sjj n TYR 875 CO 0.00 0.00 0.00 1.98 -2.08 0.00 0.00 176.86 176.76 1sjj h MET 876 N 0.00 -0.19 0.00 -3.48 4.05 -1.96 -3.14 114.93 110.21 1sjj h MET 876 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1sjj h MET 876 Cb 0.64 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1sjj h MET 876 CO 0.00 0.25 0.11 0.45 0.23 0.00 0.00 176.91 177.95 1sjj n SER 877 N -4.91 0.41 -0.03 1.39 2.88 -1.26 -1.77 113.62 110.34 1sjj n SER 877 Ca -0.08 0.65 -0.16 0.00 -1.33 0.00 0.00 58.87 57.95 1sjj n SER 877 Cb 0.27 -0.67 -0.13 0.00 -0.75 0.00 0.00 64.21 62.93 1sjj n SER 877 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1sjj h PHE 878 N 0.00 0.22 -0.00 0.66 3.57 -1.77 -3.38 116.94 116.24 1sjj h PHE 878 Ca 0.00 -0.14 -0.18 0.00 3.53 0.00 0.00 57.97 61.18 1sjj h PHE 878 Cb 0.23 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1sjj h PHE 878 CO 0.00 1.05 -0.83 1.03 -2.23 0.00 0.00 178.31 177.33 1sjj h SER 879 N -0.67 0.12 0.00 0.41 0.87 -1.41 -2.74 113.55 110.13 1sjj h SER 879 Ca -0.04 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1sjj h SER 879 Cb 1.15 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1sjj h SER 879 CO 0.05 0.89 0.00 0.41 -0.53 0.00 0.00 176.83 177.66 1sjj n THR 880 N -3.63 0.12 0.04 2.23 -1.04 -1.16 -4.09 114.28 106.75 1sjj n THR 880 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1sjj n THR 880 Cb 0.78 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1sjj n THR 880 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sjj n ALA 881 N 0.50 3.00 -0.06 2.41 0.00 -1.03 -4.91 120.51 120.42 1sjj n ALA 881 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1sjj n ALA 881 Cb 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 1sjj n ALA 881 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1sjj h LEU 882 N 0.00 0.00-10.67 0.00 8.10 -1.71 -3.47 115.31 107.56 1sjj h LEU 882 Ca 0.00 -0.20 -0.44 0.00 0.11 0.00 0.00 57.88 57.35 1sjj h LEU 882 Cb 0.00 0.00 0.17 0.00 -0.44 0.00 0.00 40.66 40.39 1sjj h LEU 882 CO 0.00 0.71 0.33 -0.31 -4.11 0.00 0.00 178.44 175.06 1sjj s TYR 883 N -1.87 1.41 0.00 0.17 2.02 -1.26 -4.80 117.35 113.03 1sjj s TYR 883 Ca -0.08 0.43 0.00 0.00 -0.37 0.00 0.00 57.07 57.04 1sjj s TYR 883 Cb 0.00 -3.85 0.00 0.00 -0.40 0.00 0.00 41.96 37.71 1sjj s TYR 883 CO 0.20 -2.94 0.00 0.41 -1.57 0.00 0.00 175.55 171.65 1sjj n GLY 884 N -2.84 2.29 0.00 0.71 0.00 -1.26 -4.87 105.19 99.22 1sjj n GLY 884 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1sjj n GLY 884 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sjj n GLU 885 N 0.00 0.00 -0.10 1.61 4.71 -1.26 -1.90 120.64 123.70 1sjj n GLU 885 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 56.97 1sjj n GLU 885 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.34 1sjj n GLU 885 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1sjj n SER 886 N 0.00 1.85 -4.47 1.62 2.88 -1.26 -3.73 113.62 110.51 1sjj n SER 886 Ca 0.00 0.47 -0.41 0.00 -1.33 0.00 0.00 58.87 57.60 1sjj n SER 886 Cb 0.00 -0.94 -0.11 0.00 -0.75 0.00 0.00 64.21 62.41 1sjj n SER 886 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1sjj s ASP 887 N -6.60 5.98 0.00 -3.46 1.01 -1.21 -4.86 116.67 107.52 1sjj s ASP 887 Ca -0.26 -0.70 0.24 0.00 0.71 0.00 0.00 52.55 52.55 1sjj s ASP 887 Cb 0.05 -2.12 0.27 0.00 1.01 0.00 0.00 42.92 42.13 1sjj s ASP 887 CO 0.50 -0.33 1.30 -0.11 0.21 0.00 0.00 175.17 176.74