#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1why s SER 75 N 0.00 -0.16 0.05 1.61 1.04 -1.26 -5.18 113.70 109.80 1why s SER 75 Ca 0.00 -0.70 0.07 0.00 0.48 0.00 0.00 55.95 55.80 1why s SER 75 Cb 0.00 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 1why s SER 75 CO 0.00 -1.32 -0.19 -0.44 0.98 0.00 0.00 173.24 172.26 1why s SER 76 N -2.99 2.32 0.00 7.02 0.01 -1.26 -5.14 113.70 113.66 1why s SER 76 Ca 0.13 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1why s SER 76 Cb -0.05 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1why s SER 76 CO 0.07 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1why n GLY 77 N 1.79 2.65 3.50 3.44 0.00 -1.26 -5.19 105.19 110.12 1why n GLY 77 Ca -0.18 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 1why n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why s SER 78 N -0.92 2.84 0.03 1.61 0.01 -1.26 -5.16 113.70 110.85 1why s SER 78 Ca 0.00 -1.38 0.02 0.00 1.31 0.00 0.00 55.95 55.90 1why s SER 78 Cb 0.00 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 1why s SER 78 CO 0.00 -0.56 -0.08 -0.94 0.41 0.00 0.00 173.24 172.06 1why s SER 79 N -3.56 0.92 -0.39 2.44 1.04 -1.26 -5.11 113.70 107.78 1why s SER 79 Ca 0.36 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.42 1why s SER 79 Cb 0.09 -0.02 0.16 0.00 0.10 0.00 0.00 66.02 66.35 1why s SER 79 CO 0.16 -0.08 0.30 -0.83 0.98 0.00 0.00 173.24 173.77 1why s GLY 80 N -1.06 0.97 -1.34 7.32 0.00 -1.26 -5.03 107.32 106.92 1why s GLY 80 Ca -0.04 -2.15 -0.10 0.00 0.00 0.00 0.00 44.72 42.43 1why s GLY 80 CO 0.00 2.17 2.02 0.28 0.00 0.00 0.00 173.10 177.58 1why n LYS 81 N 3.31 3.47 -4.42 2.90 5.02 -1.26 -4.92 118.16 122.26 1why n LYS 81 Ca 0.23 -3.24 -0.21 0.00 -2.02 0.00 0.00 58.31 53.06 1why n LYS 81 Cb 0.44 -3.00 -0.13 0.00 -0.02 0.00 0.00 35.03 32.32 1why n LYS 81 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1why s ILE 82 N 1.08 1.24 0.00 -0.18 -4.36 -1.26 -5.05 121.20 112.67 1why s ILE 82 Ca 0.43 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.77 1why s ILE 82 Cb 0.12 -1.11 0.00 0.00 1.25 0.00 0.00 42.46 42.71 1why s ILE 82 CO -0.03 0.05 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1why n GLY 83 N 1.88 -1.81 3.14 6.27 0.00 -1.26 -5.12 105.19 108.29 1why n GLY 83 Ca -0.18 0.80 -0.37 0.00 0.00 0.00 0.00 46.02 46.27 1why n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1why s TYR 84 N 0.00 3.55 0.39 1.61 2.02 -1.26 -5.07 117.35 118.59 1why s TYR 84 Ca 0.00 -2.31 0.02 0.00 -0.37 0.00 0.00 57.07 54.42 1why s TYR 84 Cb 0.00 -3.29 -0.01 0.00 -0.40 0.00 0.00 41.96 38.26 1why s TYR 84 CO 0.00 -0.98 0.08 0.41 -1.57 0.00 0.00 175.55 173.49 1why n GLY 85 N 4.65 3.46 2.35 0.71 0.00 -1.26 -5.07 105.19 110.03 1why n GLY 85 Ca -0.03 -2.18 -0.18 0.00 0.00 0.00 0.00 46.02 43.63 1why n GLY 85 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1why n LYS 86 N -0.91 2.92 -1.63 1.61 2.85 -1.26 -5.07 118.16 116.68 1why n LYS 86 Ca -0.10 -4.00 -0.50 0.00 -1.05 0.00 0.00 58.31 52.66 1why n LYS 86 Cb 0.54 -2.03 -0.06 0.00 -0.65 0.00 0.00 35.03 32.84 1why n LYS 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1why n ALA 87 N -0.58 0.77 -1.67 0.58 0.00 -1.26 -4.87 120.51 113.47 1why n ALA 87 Ca 0.31 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.53 1why n ALA 87 Cb 0.86 -2.49 -0.00 0.00 0.00 0.00 0.00 19.45 17.82 1why n ALA 87 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1why n ASN 88 N 7.44 2.34 -4.77 0.00 5.15 -1.26 -4.87 115.26 119.29 1why n ASN 88 Ca 0.28 1.16 -0.33 0.00 -0.60 0.00 0.00 54.58 55.09 1why n ASN 88 Cb 0.26 -1.45 0.05 0.00 -0.53 0.00 0.00 39.78 38.11 1why n ASN 88 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1why s PRO 89 N -1.94 2.80 -0.06 1.20 0.04 -1.26 -4.60 135.00 131.16 1why s PRO 89 Ca 0.58 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 1why s PRO 89 Cb -0.57 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.14 1why s PRO 89 CO 0.60 -1.25 0.95 -0.08 0.04 0.00 0.00 177.00 177.25 1why s THR 90 N -2.34 0.00 0.52 1.26 -1.32 -1.26 -5.02 115.64 107.47 1why s THR 90 Ca 0.67 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.33 1why s THR 90 Cb -0.21 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.09 1why s THR 90 CO 0.42 0.00 2.11 0.71 -2.21 0.00 0.00 174.62 175.64 1why h THR 91 N 2.16 0.94 -3.38 5.08 1.35 -1.84 -3.41 112.91 113.81 1why h THR 91 Ca -0.20 -0.01 -0.55 0.00 -0.55 0.00 0.00 66.41 65.10 1why h THR 91 Cb 1.21 0.92 -0.04 0.00 -1.73 0.00 0.00 68.15 68.51 1why h THR 91 CO 0.30 0.00 0.25 -0.60 -0.25 0.00 0.00 175.52 175.22 1why s ARG 92 N -5.07 4.48 -0.03 4.72 3.52 -1.26 -2.34 118.95 122.97 1why s ARG 92 Ca -0.05 1.14 0.05 0.00 -0.13 0.00 0.00 55.73 56.74 1why s ARG 92 Cb 0.18 -3.47 -0.01 0.00 -1.56 0.00 0.00 34.95 30.09 1why s ARG 92 CO 0.69 -0.03 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.47 1why s LEU 93 N 1.03 1.98 -0.13 -0.88 1.43 -0.85 -3.17 118.68 118.08 1why s LEU 93 Ca 0.44 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 1why s LEU 93 Cb -0.19 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 1why s LEU 93 CO 0.22 0.19 0.50 0.86 0.23 0.00 0.00 176.35 178.35 1why s TRP 94 N -0.21 3.48 -0.16 0.29 -0.00 -0.87 -2.29 118.94 119.19 1why s TRP 94 Ca 0.02 0.88 -0.00 0.00 -0.00 0.00 0.00 56.10 57.00 1why s TRP 94 Cb -0.09 -2.59 0.04 0.00 -0.00 0.00 0.00 33.47 30.83 1why s TRP 94 CO 0.01 0.10 -0.08 0.08 -0.00 0.00 0.00 176.95 177.06 1why s VAL 95 N 0.86 1.29 0.00 5.86 1.01 -0.96 -2.38 120.40 126.07 1why s VAL 95 Ca 0.26 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1why s VAL 95 Cb -0.15 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1why s VAL 95 CO 0.10 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1why n GLY 96 N 4.82 6.25 2.49 4.51 0.00 -0.94 -1.96 105.19 120.38 1why n GLY 96 Ca -0.13 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.69 1why n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1why n GLY 97 N 4.75 0.06 3.91 -0.02 0.00 -1.26 -3.79 105.19 108.84 1why n GLY 97 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1why n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1why s LEU 98 N -4.02 4.29 0.43 0.99 1.43 -1.23 -4.89 118.68 115.68 1why s LEU 98 Ca 0.21 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1why s LEU 98 Cb -0.09 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 1why s LEU 98 CO 0.26 0.07 0.11 -0.83 0.23 0.00 0.00 176.35 176.18 1why s GLY 99 N -2.68 2.73 0.00 -3.19 0.00 -1.26 -4.86 107.32 98.05 1why s GLY 99 Ca 0.38 -1.03 0.15 0.00 0.00 0.00 0.00 44.72 44.22 1why s GLY 99 CO 0.27 -1.91 1.40 -1.55 0.00 0.00 0.00 173.10 171.31 1why n PRO 100 N -1.00 0.25 -0.12 2.90 -0.04 -1.26 -3.07 135.00 132.66 1why n PRO 100 Ca -0.09 0.12 -0.26 0.00 -0.04 0.00 0.00 63.50 63.23 1why n PRO 100 Cb 0.65 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 1why n PRO 100 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1why n ASN 101 N -1.24 1.95 -4.61 3.54 5.15 -1.26 -4.97 115.26 113.82 1why n ASN 101 Ca 0.08 0.29 -0.44 0.00 -0.60 0.00 0.00 54.58 53.91 1why n ASN 101 Cb 0.11 -0.81 -0.01 0.00 -0.53 0.00 0.00 39.78 38.54 1why n ASN 101 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1why n THR 102 N -4.13 2.02 -4.63 -0.44 -1.04 -1.18 -4.99 114.28 99.89 1why n THR 102 Ca -0.47 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 60.73 1why n THR 102 Cb 0.86 -1.11 -0.12 0.00 -1.82 0.00 0.00 70.33 68.14 1why n THR 102 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1why s SER 103 N -0.52 3.99 0.11 8.00 0.15 -1.26 -4.84 113.70 119.33 1why s SER 103 Ca 0.58 -0.35 -0.28 0.00 0.70 0.00 0.00 55.95 56.60 1why s SER 103 Cb -0.67 -0.73 -0.10 0.00 -1.71 0.00 0.00 66.02 62.82 1why s SER 103 CO 0.60 0.27 1.63 0.25 1.20 0.00 0.00 173.24 177.19 1why h LEU 104 N 4.57 -0.81 -0.95 3.45 7.12 -1.99 -2.18 115.31 124.52 1why h LEU 104 Ca -0.48 0.09 0.29 0.00 0.13 0.00 0.00 57.88 57.91 1why h LEU 104 Cb 1.16 0.30 -0.16 0.00 -0.53 0.00 0.00 40.66 41.42 1why h LEU 104 CO 0.49 -0.39 0.27 0.00 -0.13 0.00 0.00 178.44 178.68 1why h ALA 105 N 0.13 1.49 0.06 1.25 0.00 -1.98 -0.49 119.26 119.72 1why h ALA 105 Ca 0.02 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1why h ALA 105 Cb 0.54 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1why h ALA 105 CO -0.13 -0.61 -0.13 0.00 0.00 0.00 0.00 179.25 178.38 1why h ALA 106 N 1.89 -0.73 0.30 0.00 0.00 -1.82 -0.57 119.26 118.33 1why h ALA 106 Ca 0.64 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.52 1why h ALA 106 Cb 1.43 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 1why h ALA 106 CO -0.76 -0.75 -0.50 -0.07 0.00 0.00 0.00 179.25 177.17 1why h LEU 107 N -0.21 -1.43 -1.14 0.00 3.38 -1.26 -1.30 115.31 113.35 1why h LEU 107 Ca -0.01 0.13 0.43 0.00 0.09 0.00 0.00 57.88 58.53 1why h LEU 107 Cb 0.20 0.50 -0.16 0.00 0.09 0.00 0.00 40.66 41.29 1why h LEU 107 CO -0.05 -0.59 0.66 0.00 0.09 0.00 0.00 178.44 178.56 1why h ALA 108 N -0.77 2.38 -0.27 1.53 0.00 -1.11 1.54 119.26 122.57 1why h ALA 108 Ca -0.03 0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 1why h ALA 108 Cb 0.78 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1why h ALA 108 CO -0.17 -1.12 -0.51 -0.09 0.00 0.00 0.00 179.25 177.36 1why h ARG 109 N 0.03 0.75 0.25 0.00 9.65 -0.00 -1.55 114.38 123.51 1why h ARG 109 Ca 0.85 -0.45 -0.01 0.00 -1.10 0.00 0.00 59.98 59.27 1why h ARG 109 Cb 2.40 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 31.02 1why h ARG 109 CO -0.65 1.07 -0.12 0.93 2.80 0.00 0.00 179.97 184.01 1why h GLU 110 N 0.58 -0.32 -0.91 0.20 4.39 0.29 -3.09 114.58 115.71 1why h GLU 110 Ca 0.02 0.02 0.18 0.00 0.34 0.00 0.00 59.36 59.93 1why h GLU 110 Cb 1.08 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.73 1why h GLU 110 CO 0.11 -0.21 0.59 0.74 -1.16 0.00 0.00 179.01 179.08 1why h PHE 111 N -0.86 0.70 -0.78 4.33 -1.00 -0.74 0.05 116.94 118.64 1why h PHE 111 Ca -0.03 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.80 1why h PHE 111 Cb 0.25 -0.22 -0.05 0.00 3.61 0.00 0.00 35.95 39.55 1why h PHE 111 CO 0.02 0.20 0.49 0.22 -1.61 0.00 0.00 178.31 177.63 1why h ASP 112 N 0.55 0.80 -1.34 2.17 1.82 -1.36 -2.22 116.42 116.84 1why h ASP 112 Ca 0.48 0.00 0.45 0.00 -0.39 0.00 0.00 57.03 57.57 1why h ASP 112 Cb 1.00 -0.17 -0.12 0.00 0.68 0.00 0.00 39.33 40.71 1why h ASP 112 CO -0.22 0.55 0.88 0.54 -1.61 0.00 0.00 179.24 179.38 1why n ARG 113 N -4.62 -0.03 0.01 0.28 1.74 0.00 -0.73 116.66 113.31 1why n ARG 113 Ca 0.09 1.14 -0.02 0.00 -0.77 0.00 0.00 57.85 58.29 1why n ARG 113 Cb 0.10 -2.28 -0.01 0.00 -1.02 0.00 0.00 32.46 29.25 1why n ARG 113 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1why h PHE 114 N 0.00 -0.10 -1.33 -1.55 0.04 -1.53 -3.50 116.94 108.97 1why h PHE 114 Ca 0.82 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.59 1why h PHE 114 Cb 2.72 0.03 0.00 0.00 2.20 0.00 0.00 35.95 40.91 1why h PHE 114 CO -0.00 -0.07 0.00 0.41 -0.60 0.00 0.00 178.31 178.05 1why n GLY 115 N 1.47 4.68 3.71 -1.45 0.00 0.09 -5.01 105.19 108.68 1why n GLY 115 Ca -0.01 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 1why n GLY 115 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1why s SER 116 N 0.38 6.25 -0.02 1.61 0.15 -1.26 -4.25 113.70 116.56 1why s SER 116 Ca 0.00 0.27 -0.19 0.00 0.70 0.00 0.00 55.95 56.73 1why s SER 116 Cb 0.00 -2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 62.14 1why s SER 116 CO 0.00 0.13 0.55 -0.63 1.20 0.00 0.00 173.24 174.49 1why s ILE 117 N 0.56 4.97 -0.11 6.45 1.01 -1.26 -2.06 121.20 130.76 1why s ILE 117 Ca 0.10 1.14 -0.03 0.00 0.00 0.00 0.00 60.65 61.86 1why s ILE 117 Cb -0.12 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 1why s ILE 117 CO 0.01 0.43 -0.06 -0.09 0.00 0.00 0.00 174.94 175.23 1why h ARG 118 N 5.68 0.00 -3.38 2.79 2.43 -1.01 -3.48 114.38 117.40 1why h ARG 118 Ca -0.45 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 1why h ARG 118 Cb 1.20 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.64 1why h ARG 118 CO 0.69 0.00 -0.02 -0.08 -1.51 0.00 0.00 179.97 179.05 1why s THR 119 N -1.76 0.04 0.00 0.20 -1.32 -1.26 -5.03 115.64 106.51 1why s THR 119 Ca -0.05 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1why s THR 119 Cb 0.01 -1.55 -0.01 0.00 -1.51 0.00 0.00 72.50 69.44 1why s THR 119 CO 0.07 -0.16 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.67 1why s ILE 120 N -3.87 0.13 0.22 5.08 1.01 -1.26 -3.22 121.20 119.29 1why s ILE 120 Ca 0.09 -0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.31 1why s ILE 120 Cb -0.00 -0.15 -0.08 0.00 0.01 0.00 0.00 42.46 42.24 1why s ILE 120 CO -0.04 -0.07 0.72 -0.62 0.00 0.00 0.00 174.94 174.93 1why s ASP 121 N -0.32 7.05 -0.23 3.58 2.15 -1.23 -4.93 116.67 122.74 1why s ASP 121 Ca -0.02 1.41 -0.03 0.00 0.43 0.00 0.00 52.55 54.34 1why s ASP 121 Cb -0.02 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1why s ASP 121 CO -0.00 0.03 -0.04 -1.00 -0.17 0.00 0.00 175.17 173.99 1why s HIS 122 N -1.52 2.99 -0.13 -5.34 3.76 -1.26 -4.40 115.29 109.39 1why s HIS 122 Ca 0.43 -1.15 -0.06 0.00 -0.15 0.00 0.00 55.06 54.13 1why s HIS 122 Cb -0.17 -2.10 0.06 0.00 1.11 0.00 0.00 32.58 31.49 1why s HIS 122 CO 0.21 -0.62 0.29 0.08 -0.85 0.00 0.00 174.74 173.85 1why s VAL 123 N 1.43 -0.30 -0.20 -0.90 1.01 -1.24 -5.05 120.40 115.14 1why s VAL 123 Ca 0.04 0.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.02 1why s VAL 123 Cb -0.15 -0.47 -0.18 0.00 0.00 0.00 0.00 36.38 35.58 1why s VAL 123 CO -0.04 0.09 0.22 0.50 0.00 0.00 0.00 175.10 175.87 1why h LYS 124 N 7.86 0.00 -0.48 2.72 3.64 -1.95 -2.53 116.57 125.84 1why h LYS 124 Ca -0.24 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1why h LYS 124 Cb 1.13 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.89 1why h LYS 124 CO 0.21 0.92 -0.28 0.41 -2.27 0.00 0.00 179.45 178.45 1why n GLY 125 N 1.46 -2.88 0.18 5.01 0.00 -1.26 -1.09 105.19 106.60 1why n GLY 125 Ca -0.29 0.88 0.09 0.00 0.00 0.00 0.00 46.02 46.69 1why n GLY 125 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1why h ASP 126 N 0.00 0.00 -5.31 1.61 5.19 -2.01 -3.48 116.42 112.42 1why h ASP 126 Ca 0.08 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.18 1why h ASP 126 Cb 0.20 0.00 0.15 0.00 0.18 0.00 0.00 39.33 39.86 1why h ASP 126 CO -0.45 0.17 -0.69 -1.20 -3.12 0.00 0.00 179.24 173.96 1why n SER 127 N -3.08 -2.49 -4.54 6.45 7.64 -0.25 -4.86 113.62 112.49 1why n SER 127 Ca 0.02 -0.55 -0.25 0.00 1.01 0.00 0.00 58.87 59.10 1why n SER 127 Cb 0.61 -4.67 -0.11 0.00 -1.01 0.00 0.00 64.21 59.03 1why n SER 127 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1why s PHE 128 N -3.32 2.33 -0.27 1.43 -0.12 -1.18 -3.49 117.98 113.36 1why s PHE 128 Ca 0.06 -0.63 -0.16 0.00 -0.05 0.00 0.00 56.93 56.16 1why s PHE 128 Cb -0.03 -1.46 0.08 0.00 -0.63 0.00 0.00 43.02 40.98 1why s PHE 128 CO 0.66 0.44 0.68 0.00 -0.05 0.00 0.00 175.22 176.95 1why s ALA 129 N -2.77 -1.84 -0.24 1.99 0.00 -0.83 -3.73 121.76 114.35 1why s ALA 129 Ca 0.33 2.38 -0.09 0.00 0.00 0.00 0.00 51.96 54.58 1why s ALA 129 Cb 0.06 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1why s ALA 129 CO 0.16 -0.37 0.13 0.71 0.00 0.00 0.00 175.76 176.39 1why s TYR 130 N 1.62 3.23 -0.23 0.00 2.02 -1.26 -2.27 117.35 120.45 1why s TYR 130 Ca -0.10 0.04 -0.08 0.00 -0.37 0.00 0.00 57.07 56.56 1why s TYR 130 Cb -0.05 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1why s TYR 130 CO -0.19 -0.06 0.08 0.42 -1.57 0.00 0.00 175.55 174.23 1why s ILE 131 N 1.23 4.59 -0.30 2.71 1.01 -0.97 -3.47 121.20 126.01 1why s ILE 131 Ca 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 1why s ILE 131 Cb -0.14 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 1why s ILE 131 CO 0.05 0.36 0.16 -1.58 0.00 0.00 0.00 174.94 173.94 1why s GLN 132 N 1.27 3.60 0.22 2.79 2.00 -1.20 -2.02 119.66 126.32 1why s GLN 132 Ca 0.05 -0.55 -0.11 0.00 -2.00 0.00 0.00 55.36 52.75 1why s GLN 132 Cb -0.15 -3.59 -0.07 0.00 0.80 0.00 0.00 33.01 30.00 1why s GLN 132 CO 0.04 -0.31 0.57 0.71 -0.50 0.00 0.00 175.29 175.79 1why s TYR 133 N 1.67 3.46 0.34 1.67 2.02 -0.99 -0.30 117.35 125.22 1why s TYR 133 Ca 0.06 0.94 0.03 0.00 -0.37 0.00 0.00 57.07 57.73 1why s TYR 133 Cb -0.16 -2.30 0.64 0.00 -0.40 0.00 0.00 41.96 39.73 1why s TYR 133 CO 0.08 0.29 1.97 0.93 -1.57 0.00 0.00 175.55 177.25 1why h GLU 134 N 2.72 0.85 -5.73 -0.62 4.39 -1.77 -3.43 114.58 110.99 1why h GLU 134 Ca -0.47 -0.05 -0.48 0.00 0.34 0.00 0.00 59.36 58.69 1why h GLU 134 Cb 1.17 -0.19 -0.16 0.00 -0.10 0.00 0.00 28.75 29.47 1why h GLU 134 CO 0.68 0.56 -0.75 0.45 -1.16 0.00 0.00 179.01 178.79 1why s SER 135 N -6.28 2.65 0.05 1.42 0.15 -1.26 -5.06 113.70 105.37 1why s SER 135 Ca -0.10 -0.95 -0.16 0.00 0.70 0.00 0.00 55.95 55.44 1why s SER 135 Cb 0.19 -0.15 -0.23 0.00 -1.71 0.00 0.00 66.02 64.12 1why s SER 135 CO 0.78 -0.11 1.17 0.25 1.20 0.00 0.00 173.24 176.53 1why h LEU 136 N 2.85 0.78 -0.35 3.45 6.46 -1.92 -3.08 115.31 123.50 1why h LEU 136 Ca -0.40 -0.73 0.07 0.00 -0.12 0.00 0.00 57.88 56.70 1why h LEU 136 Cb 1.22 -0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 40.84 1why h LEU 136 CO 0.57 1.41 -0.11 -0.78 -0.62 0.00 0.00 178.44 178.91 1why h ASP 137 N 0.23 -0.40 -0.86 1.25 3.58 -1.97 -0.89 116.42 117.37 1why h ASP 137 Ca -0.10 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1why h ASP 137 Cb 1.53 0.25 -0.04 0.00 1.72 0.00 0.00 39.33 42.78 1why h ASP 137 CO 0.17 -0.15 0.54 0.00 -2.88 0.00 0.00 179.24 176.93 1why h ALA 138 N 1.29 1.34 -0.06 -0.78 0.00 -1.95 -2.60 119.26 116.49 1why h ALA 138 Ca 0.17 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1why h ALA 138 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1why h ALA 138 CO -0.38 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.47 1why h ALA 139 N 1.42 0.06 -0.36 0.00 0.00 -1.12 -2.82 119.26 116.45 1why h ALA 139 Ca 0.31 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.29 1why h ALA 139 Cb -0.09 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1why h ALA 139 CO -0.06 -0.46 0.06 1.96 0.00 0.00 0.00 179.25 180.75 1why h GLN 140 N 0.04 0.18 -0.14 0.00 4.20 -0.97 0.19 115.11 118.61 1why h GLN 140 Ca 0.03 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1why h GLN 140 Cb 0.02 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1why h GLN 140 CO -0.03 0.12 -0.33 0.00 -0.67 0.00 0.00 178.83 177.91 1why h ALA 141 N 1.27 -0.67 -0.81 3.87 0.00 -1.25 -1.56 119.26 120.11 1why h ALA 141 Ca 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1why h ALA 141 Cb 0.20 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1why h ALA 141 CO -0.23 -0.80 0.50 0.00 0.00 0.00 0.00 179.25 178.72 1why h ALA 142 N -0.67 1.36 -0.95 0.00 0.00 -1.36 -1.33 119.26 116.31 1why h ALA 142 Ca 0.03 -0.08 0.27 0.00 0.00 0.00 0.00 54.91 55.13 1why h ALA 142 Cb 0.39 -0.33 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 1why h ALA 142 CO -0.30 0.56 0.43 0.00 0.00 0.00 0.00 179.25 179.94 1why h ALA 144 N 1.80 0.10 -0.11 0.00 0.00 -0.96 -3.20 119.26 116.90 1why h ALA 144 Ca 0.64 -0.71 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1why h ALA 144 Cb 1.35 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 1why h ALA 144 CO -0.60 0.44 -0.54 0.87 0.00 0.00 0.00 179.25 179.42 1why h LYS 145 N -1.00 -0.58 -0.48 0.00 6.56 -0.87 -1.88 116.57 118.32 1why h LYS 145 Ca -0.14 0.04 0.09 0.00 -1.06 0.00 0.00 60.65 59.58 1why h LYS 145 Cb 0.82 0.13 -0.07 0.00 -0.57 0.00 0.00 32.23 32.54 1why h LYS 145 CO -0.08 -0.39 0.04 0.52 -2.06 0.00 0.00 179.45 177.48 1why h MET 146 N -0.60 0.15 -5.07 3.15 2.86 -0.29 -3.41 114.93 111.72 1why h MET 146 Ca 0.03 -0.01 -0.48 0.00 -2.06 0.00 0.00 59.70 57.19 1why h MET 146 Cb 0.69 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.23 1why h MET 146 CO -0.42 0.10 1.75 -2.13 1.06 0.00 0.00 176.91 177.27 1why n ARG 147 N -5.18 0.12 -0.12 1.72 0.00 -0.71 0.97 116.66 113.47 1why n ARG 147 Ca 0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 1why n ARG 147 Cb 0.25 -1.69 0.00 0.00 0.00 0.00 0.00 32.46 31.01 1why n ARG 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1why n GLY 148 N 6.35 1.90 3.74 5.14 0.00 -1.21 -4.97 105.19 116.14 1why n GLY 148 Ca 0.63 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 46.19 1why n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1why s PHE 149 N -2.00 3.86 -0.68 1.61 5.36 0.27 -4.89 117.98 121.52 1why s PHE 149 Ca 0.00 1.84 -0.26 0.00 -0.96 0.00 0.00 56.93 57.55 1why s PHE 149 Cb 0.00 -3.06 -0.03 0.00 -0.34 0.00 0.00 43.02 39.60 1why s PHE 149 CO 0.00 0.20 1.88 -1.25 -1.46 0.00 0.00 175.22 174.59 1why s PRO 150 N -0.78 2.61 -0.05 10.12 0.04 -1.26 -3.63 135.00 142.05 1why s PRO 150 Ca 0.44 0.40 -0.02 0.00 0.04 0.00 0.00 61.00 61.86 1why s PRO 150 Cb -0.26 -4.55 0.04 0.00 0.04 0.00 0.00 34.50 29.77 1why s PRO 150 CO 0.32 -2.89 0.10 -1.17 0.04 0.00 0.00 177.00 173.41 1why s LEU 151 N 9.32 0.61 0.00 -3.56 0.20 -1.26 -5.04 118.68 118.95 1why s LEU 151 Ca 0.68 0.19 0.00 0.00 0.69 0.00 0.00 54.13 55.69 1why s LEU 151 Cb -0.11 0.14 0.00 0.00 -0.43 0.00 0.00 46.19 45.79 1why s LEU 151 CO 0.16 -0.17 0.00 0.61 -0.29 0.00 0.00 176.35 176.65 1why n GLY 152 N 4.55 1.21 1.42 7.98 0.00 -1.26 -4.44 105.19 114.64 1why n GLY 152 Ca -0.20 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 1why n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1why n GLY 153 N 0.00 3.58 0.21 -0.02 0.00 -1.25 -5.02 105.19 102.70 1why n GLY 153 Ca 0.00 -2.25 -0.05 0.00 0.00 0.00 0.00 46.02 43.71 1why n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why h PRO 154 N 0.00 0.41 0.07 1.61 0.13 -2.02 -3.29 132.00 128.91 1why h PRO 154 Ca -0.15 -0.21 -0.36 0.00 -0.87 0.00 0.00 66.00 64.40 1why h PRO 154 Cb 0.49 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 1why h PRO 154 CO 0.25 0.77 -2.11 -0.25 -0.23 0.00 0.00 178.00 176.43 1why n ASP 155 N -4.00 1.85 -4.58 1.44 8.00 -1.26 -4.83 116.55 113.16 1why n ASP 155 Ca -0.02 0.13 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 1why n ASP 155 Cb 0.52 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1why s ARG 156 N -2.55 3.15 0.27 -1.24 0.52 -1.24 -4.97 118.95 112.89 1why s ARG 156 Ca -0.23 1.09 0.11 0.00 -0.52 0.00 0.00 55.73 56.19 1why s ARG 156 Cb 0.07 -4.23 -0.05 0.00 0.52 0.00 0.00 34.95 31.26 1why s ARG 156 CO 0.73 -2.09 -0.19 1.03 0.02 0.00 0.00 175.30 174.80 1why s ARG 157 N 5.98 1.64 0.29 3.54 0.52 -1.26 -3.78 118.95 125.88 1why s ARG 157 Ca 0.73 -1.75 -0.29 0.00 -0.52 0.00 0.00 55.73 53.90 1why s ARG 157 Cb -0.18 -1.69 -0.09 0.00 0.52 0.00 0.00 34.95 33.51 1why s ARG 157 CO 0.29 0.31 1.05 -0.51 0.02 0.00 0.00 175.30 176.47 1why s LEU 158 N -3.49 4.49 -0.34 2.53 1.43 -1.24 -4.87 118.68 117.20 1why s LEU 158 Ca 0.29 2.15 -0.04 0.00 -1.03 0.00 0.00 54.13 55.51 1why s LEU 158 Cb -0.04 -3.73 0.06 0.00 0.03 0.00 0.00 46.19 42.50 1why s LEU 158 CO 0.14 -0.14 0.08 -0.60 0.23 0.00 0.00 176.35 176.06 1why s ARG 159 N -1.59 2.42 -0.14 1.70 6.06 -1.25 -3.35 118.95 122.80 1why s ARG 159 Ca 0.46 -1.35 -0.01 0.00 -2.50 0.00 0.00 55.73 52.33 1why s ARG 159 Cb -0.29 -3.37 -0.02 0.00 0.06 0.00 0.00 34.95 31.34 1why s ARG 159 CO 0.36 -0.73 -0.11 0.08 -2.50 0.00 0.00 175.30 172.39 1why s VAL 160 N 1.29 3.17 -0.07 7.11 1.01 -1.26 -2.21 120.40 129.44 1why s VAL 160 Ca -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1why s VAL 160 Cb -0.20 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1why s VAL 160 CO -0.00 0.52 0.17 -0.62 0.00 0.00 0.00 175.10 175.17 1why s ASP 161 N 0.40 -0.16 0.14 3.32 2.15 -1.00 -4.88 116.67 116.64 1why s ASP 161 Ca -0.09 0.36 -0.34 0.00 0.43 0.00 0.00 52.55 52.90 1why s ASP 161 Cb -0.16 0.28 -0.14 0.00 -0.30 0.00 0.00 42.92 42.60 1why s ASP 161 CO 0.05 -0.12 1.56 0.49 -0.17 0.00 0.00 175.17 176.98 1why n PHE 162 N 3.84 2.20 -2.27 -5.34 3.72 -1.26 -2.05 117.46 116.30 1why n PHE 162 Ca -0.22 0.30 -0.33 0.00 -0.05 0.00 0.00 57.45 57.15 1why n PHE 162 Cb 0.54 -2.52 -0.04 0.00 -0.94 0.00 0.00 39.48 36.52 1why n PHE 162 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1why s ALA 163 N 0.98 2.26 -1.79 4.37 0.00 -1.19 -4.73 121.76 121.66 1why s ALA 163 Ca 0.80 -2.16 0.27 0.00 0.00 0.00 0.00 51.96 50.87 1why s ALA 163 Cb -0.71 -4.61 1.54 0.00 0.00 0.00 0.00 23.12 19.34 1why s ALA 163 CO 0.39 -4.40 1.96 0.36 0.00 0.00 0.00 175.76 174.08 1why n LYS 164 N 8.58 0.69 -3.93 0.00 -0.00 -1.26 -4.73 118.16 117.51 1why n LYS 164 Ca 0.42 0.01 -0.35 0.00 -0.00 0.00 0.00 58.31 58.40 1why n LYS 164 Cb 0.47 -1.50 -0.09 0.00 -0.00 0.00 0.00 35.03 33.92 1why n LYS 164 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1why s SER 165 N -2.21 5.85 0.00 -5.58 0.15 -1.26 -4.99 113.70 105.67 1why s SER 165 Ca 0.36 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1why s SER 165 Cb 0.19 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1why s SER 165 CO 0.35 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.61 1why n GLY 166 N 3.29 -1.50 3.61 9.45 0.00 -1.26 -5.12 105.19 113.66 1why n GLY 166 Ca -0.17 0.80 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 1why n GLY 166 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1why s PRO 167 N 0.00 3.57 0.36 1.61 0.04 -1.26 -5.00 135.00 134.31 1why s PRO 167 Ca 0.00 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.56 1why s PRO 167 Cb 0.00 -4.10 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 1why s PRO 167 CO 0.00 -1.58 0.45 0.45 0.04 0.00 0.00 177.00 176.36 1why s SER 168 N 4.98 5.71 0.15 6.66 0.15 -1.26 -5.04 113.70 125.04 1why s SER 168 Ca 0.73 -0.34 -0.34 0.00 0.70 0.00 0.00 55.95 56.71 1why s SER 168 Cb -0.22 -1.01 -0.14 0.00 -1.71 0.00 0.00 66.02 62.94 1why s SER 168 CO 0.32 -0.50 1.58 -0.24 1.20 0.00 0.00 173.24 175.60 1why n SER 169 N -1.63 3.07 0.00 5.45 2.88 -1.26 -5.35 113.62 116.79 1why n SER 169 Ca 0.02 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1why n SER 169 Cb 0.59 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1why n SER 169 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42