#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 -0.39 0.03 1.61 0.01 -1.26 -5.17 113.70 108.53 1why s SER 75 Ca 0.00 0.54 0.06 0.00 1.31 0.00 0.00 55.95 57.86 1why s SER 75 Cb 0.00 0.47 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 1why s SER 75 CO 0.00 -0.28 -0.19 -0.55 0.41 0.00 0.00 173.24 172.63 1why s SER 76 N -0.69 2.26 0.00 2.44 0.15 -1.26 -5.14 113.70 111.46 1why s SER 76 Ca -0.00 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1why s SER 76 Cb -0.02 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1why s SER 76 CO -0.01 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1why n GLY 77 N 2.05 5.09 3.08 9.45 0.00 -1.26 -5.18 105.19 118.41 1why n GLY 77 Ca -0.17 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 1why n GLY 77 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1why s SER 78 N 0.83 0.76 -0.01 1.61 0.15 -1.26 -5.17 113.70 110.62 1why s SER 78 Ca 0.00 -0.73 -0.07 0.00 0.70 0.00 0.00 55.95 55.85 1why s SER 78 Cb 0.00 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1why s SER 78 CO 0.00 -0.35 0.14 -0.44 1.20 0.00 0.00 173.24 173.79 1why s SER 79 N -2.14 -0.01 0.00 5.45 0.01 -1.26 -5.15 113.70 110.60 1why s SER 79 Ca -0.03 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1why s SER 79 Cb -0.03 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1why s SER 79 CO -0.03 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1why n GLY 80 N 1.71 1.81 2.97 3.44 0.00 -1.26 -5.18 105.19 108.68 1why n GLY 80 Ca -0.21 0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1why n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1why s LYS 81 N 0.00 0.29 0.13 1.61 0.00 -1.26 -5.17 119.74 115.35 1why s LYS 81 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 55.97 55.54 1why s LYS 81 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 37.83 37.71 1why s LYS 81 CO 0.00 0.01 0.02 0.96 0.00 0.00 0.00 175.35 176.34 1why s ILE 82 N -0.88 0.34 -0.30 3.79 -4.36 -1.26 -5.16 121.20 113.37 1why s ILE 82 Ca -0.08 -1.92 -0.16 0.00 -0.26 0.00 0.00 60.65 58.23 1why s ILE 82 Cb -0.06 -1.96 0.20 0.00 1.25 0.00 0.00 42.46 41.89 1why s ILE 82 CO -0.00 -0.58 1.23 -0.83 0.24 0.00 0.00 174.94 175.00 1why s GLY 83 N -3.07 0.51 0.49 6.27 0.00 -1.26 -5.18 107.32 105.08 1why s GLY 83 Ca 0.20 3.74 0.02 0.00 0.00 0.00 0.00 44.72 48.68 1why s GLY 83 CO 0.00 2.86 0.05 -0.19 0.00 0.00 0.00 173.10 175.82 1why s TYR 84 N 1.25 1.79 -0.34 1.90 2.02 -1.26 -5.13 117.35 117.59 1why s TYR 84 Ca -0.07 -1.11 -0.08 0.00 -0.37 0.00 0.00 57.07 55.44 1why s TYR 84 Cb -0.02 -1.43 0.21 0.00 -0.40 0.00 0.00 41.96 40.32 1why s TYR 84 CO -0.11 0.01 1.10 0.20 -1.57 0.00 0.00 175.55 175.18 1why s GLY 85 N -3.80 -1.89 0.00 0.71 0.00 -1.26 -5.00 107.32 96.09 1why s GLY 85 Ca 0.09 0.73 0.18 0.00 0.00 0.00 0.00 44.72 45.72 1why s GLY 85 CO 0.06 4.33 1.46 0.58 0.00 0.00 0.00 173.10 179.53 1why n LYS 86 N 2.74 1.74 -2.75 2.90 2.85 -1.26 -4.84 118.16 119.54 1why n LYS 86 Ca 0.10 -1.12 -0.43 0.00 -1.05 0.00 0.00 58.31 55.81 1why n LYS 86 Cb 0.65 -1.35 -0.03 0.00 -0.65 0.00 0.00 35.03 33.65 1why n LYS 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1why s ALA 87 N -1.71 3.52 0.48 0.58 0.00 -1.26 -5.01 121.76 118.36 1why s ALA 87 Ca 0.29 -0.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.85 1why s ALA 87 Cb 0.16 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 1why s ALA 87 CO 0.23 -1.35 1.12 0.27 0.00 0.00 0.00 175.76 176.03 1why n ASN 88 N 6.59 1.74 -4.77 0.00 6.94 -1.26 -4.88 115.26 119.62 1why n ASN 88 Ca 0.09 1.00 -0.36 0.00 -0.02 0.00 0.00 54.58 55.29 1why n ASN 88 Cb 0.47 -1.44 -0.00 0.00 -2.36 0.00 0.00 39.78 36.46 1why n ASN 88 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1why s PRO 89 N -2.34 3.53 -0.10 -0.53 0.04 -1.26 -4.80 135.00 129.54 1why s PRO 89 Ca 0.66 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 1why s PRO 89 Cb -0.49 -2.18 0.09 0.00 0.04 0.00 0.00 34.50 31.95 1why s PRO 89 CO 0.54 -0.72 0.77 -0.08 0.04 0.00 0.00 177.00 177.55 1why s THR 90 N -1.67 0.00 0.43 1.26 -1.32 -1.26 -5.02 115.64 108.05 1why s THR 90 Ca 0.69 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.42 1why s THR 90 Cb -0.26 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.18 1why s THR 90 CO 0.30 0.00 1.71 0.71 -2.21 0.00 0.00 174.62 175.13 1why h THR 91 N 2.98 0.35 -3.85 5.08 1.35 -1.82 -3.40 112.91 113.60 1why h THR 91 Ca -0.25 -0.08 -0.48 0.00 -0.55 0.00 0.00 66.41 65.05 1why h THR 91 Cb 1.15 0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1why h THR 91 CO 0.34 0.04 0.39 -0.60 -0.25 0.00 0.00 175.52 175.44 1why s ARG 92 N -5.36 4.57 -0.04 4.72 3.52 -1.26 -2.84 118.95 122.27 1why s ARG 92 Ca -0.08 1.51 -0.01 0.00 -0.13 0.00 0.00 55.73 57.01 1why s ARG 92 Cb 0.27 -2.94 0.03 0.00 -1.56 0.00 0.00 34.95 30.75 1why s ARG 92 CO 0.81 0.23 0.04 -0.51 -0.81 0.00 0.00 175.30 175.06 1why s LEU 93 N -1.84 0.49 0.19 -0.88 1.43 -0.16 -3.16 118.68 114.74 1why s LEU 93 Ca 0.48 0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.33 1why s LEU 93 Cb -0.24 -0.17 -0.08 0.00 0.03 0.00 0.00 46.19 45.73 1why s LEU 93 CO 0.30 -0.20 0.91 0.86 0.23 0.00 0.00 176.35 178.44 1why s TRP 94 N 1.81 3.92 -0.09 0.29 -0.00 -0.41 -1.04 118.94 123.42 1why s TRP 94 Ca 0.01 1.82 -0.01 0.00 -0.00 0.00 0.00 56.10 57.92 1why s TRP 94 Cb -0.12 -2.95 0.03 0.00 -0.00 0.00 0.00 33.47 30.42 1why s TRP 94 CO -0.03 0.40 -0.03 0.08 -0.00 0.00 0.00 176.95 177.37 1why s VAL 95 N -0.84 0.66 0.30 5.86 1.01 0.86 -1.17 120.40 127.08 1why s VAL 95 Ca 0.41 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.37 1why s VAL 95 Cb -0.25 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 1why s VAL 95 CO 0.30 0.31 0.05 -0.83 0.00 0.00 0.00 175.10 174.93 1why s GLY 96 N 1.84 1.95 0.00 4.51 0.00 -0.29 -0.02 107.32 115.32 1why s GLY 96 Ca 0.05 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.78 1why s GLY 96 CO -0.06 -1.77 0.00 0.61 0.00 0.00 0.00 173.10 171.88 1why n GLY 97 N -0.62 0.97 3.92 0.20 0.00 -1.26 -3.21 105.19 105.20 1why n GLY 97 Ca -0.02 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.63 2.62 0.36 0.99 1.43 -1.26 -4.85 118.68 117.34 1why s LEU 98 Ca 0.00 0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 53.60 1why s LEU 98 Cb 0.00 -2.94 0.02 0.00 0.03 0.00 0.00 46.19 43.30 1why s LEU 98 CO 0.00 -2.10 0.58 -0.83 0.23 0.00 0.00 176.35 174.23 1why s GLY 99 N -4.67 1.19 0.00 -3.19 0.00 -1.26 -5.02 107.32 94.38 1why s GLY 99 Ca 0.65 -1.31 0.15 0.00 0.00 0.00 0.00 44.72 44.21 1why s GLY 99 CO 0.49 -0.80 1.38 -1.55 0.00 0.00 0.00 173.10 172.63 1why n PRO 100 N -0.57 0.32 -0.13 2.90 -0.04 -1.26 -3.11 135.00 133.12 1why n PRO 100 Ca -0.02 0.09 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 1why n PRO 100 Cb 0.61 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.17 1.94 -4.53 3.54 2.85 -1.26 -4.97 115.26 111.66 1why n ASN 101 Ca 0.09 0.35 -0.49 0.00 -0.11 0.00 0.00 54.58 54.42 1why n ASN 101 Cb 0.09 -0.85 -0.04 0.00 1.24 0.00 0.00 39.78 40.22 1why n ASN 101 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1why n THR 102 N -4.28 1.32 -4.41 -0.44 -1.04 -1.18 -4.98 114.28 99.28 1why n THR 102 Ca -0.49 -0.33 -0.18 0.00 -2.04 0.00 0.00 64.05 61.01 1why n THR 102 Cb 0.84 -0.57 -0.04 0.00 -1.82 0.00 0.00 70.33 68.74 1why n THR 102 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1why n SER 103 N 1.77 2.71 -0.03 8.00 7.64 -1.26 -4.87 113.62 127.58 1why n SER 103 Ca 0.15 -2.22 -0.01 0.00 1.01 0.00 0.00 58.87 57.81 1why n SER 103 Cb 0.25 0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1why n SER 103 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1why h LEU 104 N 0.00 0.00 -0.95 -3.43 7.12 -2.00 -3.32 115.31 112.73 1why h LEU 104 Ca -0.23 0.00 0.21 0.00 0.13 0.00 0.00 57.88 57.99 1why h LEU 104 Cb 0.70 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 40.71 1why h LEU 104 CO 0.38 0.34 0.52 0.00 -0.13 0.00 0.00 178.44 179.55 1why h ALA 105 N -1.42 1.58 -0.04 1.25 0.00 -1.99 -0.98 119.26 117.67 1why h ALA 105 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1why h ALA 105 Cb 0.11 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1why h ALA 105 CO 0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 179.25 178.60 1why h ALA 106 N 1.68 -0.84 0.35 0.00 0.00 -2.00 0.59 119.26 119.05 1why h ALA 106 Ca 0.58 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1why h ALA 106 Cb 1.02 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1why h ALA 106 CO -0.45 -0.98 -0.17 -0.07 0.00 0.00 0.00 179.25 177.57 1why h LEU 107 N -0.51 -0.40 -1.23 0.00 3.38 -1.48 -1.75 115.31 113.31 1why h LEU 107 Ca 0.02 0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.35 1why h LEU 107 Cb 0.57 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1why h LEU 107 CO -0.31 -0.25 1.22 0.00 0.09 0.00 0.00 178.44 179.19 1why n ALA 108 N -2.30 1.18 -0.06 1.53 0.00 -0.43 0.16 120.51 120.59 1why n ALA 108 Ca -0.06 0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.74 1why n ALA 108 Cb 0.19 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 1why n ALA 108 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1why h ARG 109 N 0.00 0.00 -0.51 0.00 2.43 -0.60 -2.15 114.38 113.55 1why h ARG 109 Ca 0.58 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.79 1why h ARG 109 Cb 3.02 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 32.53 1why h ARG 109 CO -0.01 0.28 0.28 0.93 -1.51 0.00 0.00 179.97 179.94 1why h GLU 110 N -1.00 0.52 -0.41 0.20 4.39 0.62 -1.85 114.58 117.06 1why h GLU 110 Ca -0.01 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1why h GLU 110 Cb 0.35 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1why h GLU 110 CO -0.01 0.35 -0.10 0.74 -1.16 0.00 0.00 179.01 178.83 1why h PHE 111 N 0.54 0.90 -0.98 4.33 -1.00 -0.85 -3.00 116.94 116.88 1why h PHE 111 Ca 0.22 -0.19 0.11 0.00 2.81 0.00 0.00 57.97 60.92 1why h PHE 111 Cb 0.09 -0.22 -0.08 0.00 3.61 0.00 0.00 35.95 39.35 1why h PHE 111 CO -0.09 0.92 0.62 0.22 -1.61 0.00 0.00 178.31 178.38 1why h ASP 112 N 0.62 0.90 -0.93 2.17 3.58 -0.96 -2.34 116.42 119.45 1why h ASP 112 Ca 0.10 0.04 0.19 0.00 0.42 0.00 0.00 57.03 57.79 1why h ASP 112 Cb 0.63 -0.14 -0.18 0.00 1.72 0.00 0.00 39.33 41.36 1why h ASP 112 CO 0.04 0.49 -0.21 0.54 -2.88 0.00 0.00 179.24 177.22 1why n ARG 113 N -4.59 -0.08 0.26 0.28 5.12 -0.73 -1.33 116.66 115.58 1why n ARG 113 Ca 0.18 1.45 -0.10 0.00 -1.93 0.00 0.00 57.85 57.45 1why n ARG 113 Cb 0.34 -2.17 -0.05 0.00 -1.16 0.00 0.00 32.46 29.42 1why n ARG 113 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1why h PHE 114 N 0.00 -0.62 -4.20 -1.55 0.04 -1.58 -3.48 116.94 105.55 1why h PHE 114 Ca 0.46 -0.01 -0.28 0.00 2.80 0.00 0.00 57.97 60.93 1why h PHE 114 Cb 0.72 0.21 -0.09 0.00 2.20 0.00 0.00 35.95 38.98 1why h PHE 114 CO -0.70 -0.39 -0.24 0.20 -0.60 0.00 0.00 178.31 176.58 1why s GLY 115 N -2.05 1.51 0.08 -1.45 0.00 -0.44 -5.01 107.32 99.96 1why s GLY 115 Ca -0.10 -1.54 -0.29 0.00 0.00 0.00 0.00 44.72 42.79 1why s GLY 115 CO 0.29 -1.04 0.93 -0.56 0.00 0.00 0.00 173.10 172.72 1why s SER 116 N -3.23 7.43 -0.01 1.64 0.01 -1.26 -4.04 113.70 114.23 1why s SER 116 Ca 0.31 1.71 -0.15 0.00 1.31 0.00 0.00 55.95 59.13 1why s SER 116 Cb 0.00 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 1why s SER 116 CO 0.20 -0.09 0.43 -0.63 0.41 0.00 0.00 173.24 173.55 1why s ILE 117 N 0.20 5.02 -0.12 1.44 1.01 -1.26 -2.74 121.20 124.74 1why s ILE 117 Ca 0.47 0.88 -0.23 0.00 0.00 0.00 0.00 60.65 61.76 1why s ILE 117 Cb -0.22 -3.74 -0.26 0.00 0.01 0.00 0.00 42.46 38.25 1why s ILE 117 CO 0.28 0.55 0.66 -0.09 0.00 0.00 0.00 174.94 176.35 1why h ARG 118 N 4.89 0.12 -2.33 2.79 1.12 -0.94 -3.48 114.38 116.55 1why h ARG 118 Ca -0.50 -0.21 0.03 0.00 -1.11 0.00 0.00 59.98 58.19 1why h ARG 118 Cb 1.21 0.08 -0.16 0.00 -0.01 0.00 0.00 29.97 31.09 1why h ARG 118 CO 0.63 1.10 0.35 -0.08 -3.11 0.00 0.00 179.97 178.86 1why s THR 119 N -2.35 0.00 -0.11 0.20 -1.32 -1.26 -5.05 115.64 105.75 1why s THR 119 Ca -0.20 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.26 1why s THR 119 Cb 0.01 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.04 1why s THR 119 CO 0.72 0.00 0.03 -0.63 -2.21 0.00 0.00 174.62 172.53 1why s ILE 120 N -2.60 0.31 -0.18 5.08 1.01 -1.26 -3.12 121.20 120.44 1why s ILE 120 Ca -0.01 -0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.40 1why s ILE 120 Cb -0.01 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 1why s ILE 120 CO -0.05 0.07 0.59 -1.81 0.00 0.00 0.00 174.94 173.75 1why s ASP 121 N 1.98 6.68 0.10 3.58 1.01 -1.23 -4.96 116.67 123.83 1why s ASP 121 Ca 0.03 0.82 0.07 0.00 0.71 0.00 0.00 52.55 54.19 1why s ASP 121 Cb -0.14 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1why s ASP 121 CO -0.06 -0.20 -0.12 -1.00 0.21 0.00 0.00 175.17 174.00 1why s HIS 122 N 1.58 2.69 -0.28 4.23 3.76 -1.26 -3.25 115.29 122.75 1why s HIS 122 Ca 0.28 -0.18 -0.18 0.00 -0.15 0.00 0.00 55.06 54.82 1why s HIS 122 Cb -0.16 -1.42 0.12 0.00 1.11 0.00 0.00 32.58 32.23 1why s HIS 122 CO 0.11 0.40 0.90 0.54 -0.85 0.00 0.00 174.74 175.84 1why s VAL 123 N -1.17 0.00 0.08 -0.90 0.11 -1.25 -5.04 120.40 112.24 1why s VAL 123 Ca 0.20 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 1why s VAL 123 Cb -0.11 -1.00 -0.25 0.00 -1.53 0.00 0.00 36.38 33.49 1why s VAL 123 CO 0.12 0.00 1.16 0.11 -3.33 0.00 0.00 175.10 173.16 1why h LYS 124 N 5.84 0.16 -0.17 1.54 6.56 -1.96 -2.06 116.57 126.47 1why h LYS 124 Ca -0.29 -0.27 0.02 0.00 -1.06 0.00 0.00 60.65 59.05 1why h LYS 124 Cb 1.20 0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 32.94 1why h LYS 124 CO 0.16 1.11 -0.12 0.78 -2.06 0.00 0.00 179.45 179.32 1why h GLY 125 N 2.19 -2.22 0.85 3.86 0.00 -1.98 -2.44 103.07 103.32 1why h GLY 125 Ca -0.10 1.04 0.00 0.00 0.00 0.00 0.00 47.33 48.26 1why h GLY 125 CO 0.17 -0.78 -0.81 1.22 0.00 0.00 0.00 176.54 176.34 1why n ASP 126 N -3.41 0.64 -3.30 0.19 8.00 -1.26 -4.97 116.55 112.43 1why n ASP 126 Ca 0.00 -0.10 -0.19 0.00 0.71 0.00 0.00 54.79 55.21 1why n ASP 126 Cb 0.06 0.49 0.08 0.00 -0.02 0.00 0.00 41.12 41.73 1why n ASP 126 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1why n SER 127 N -1.95 -3.82 -4.47 -2.24 7.64 -0.78 -4.95 113.62 103.05 1why n SER 127 Ca 0.03 -0.54 -0.25 0.00 1.01 0.00 0.00 58.87 59.12 1why n SER 127 Cb 0.42 -4.75 -0.10 0.00 -1.01 0.00 0.00 64.21 58.77 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 2.32 -0.03 1.43 -0.12 -1.21 -4.13 117.98 112.94 1why s PHE 128 Ca 0.24 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 1why s PHE 128 Cb -0.11 -1.06 0.03 0.00 -0.63 0.00 0.00 43.02 41.25 1why s PHE 128 CO 0.68 0.64 -0.00 0.00 -0.05 0.00 0.00 175.22 176.48 1why s ALA 129 N -2.20 0.32 -0.15 1.99 0.00 0.98 -3.79 121.76 118.90 1why s ALA 129 Ca 0.27 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.32 1why s ALA 129 Cb -0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1why s ALA 129 CO 0.13 -0.06 0.04 0.71 0.00 0.00 0.00 175.76 176.58 1why s TYR 130 N 0.95 3.21 -0.20 0.00 2.02 -1.20 -0.10 117.35 122.04 1why s TYR 130 Ca -0.10 0.06 -0.03 0.00 -0.37 0.00 0.00 57.07 56.63 1why s TYR 130 Cb -0.13 -1.99 -0.01 0.00 -0.40 0.00 0.00 41.96 39.43 1why s TYR 130 CO -0.02 0.22 -0.06 0.42 -1.57 0.00 0.00 175.55 174.55 1why s ILE 131 N 0.01 3.36 -0.19 2.71 -1.09 -0.21 -3.56 121.20 122.23 1why s ILE 131 Ca 0.04 -0.51 -0.04 0.00 -2.23 0.00 0.00 60.65 57.91 1why s ILE 131 Cb -0.12 -2.50 -0.02 0.00 -1.58 0.00 0.00 42.46 38.24 1why s ILE 131 CO 0.01 0.45 -0.03 -1.58 -1.23 0.00 0.00 174.94 172.56 1why s GLN 132 N 1.13 3.51 0.04 2.79 2.00 -1.18 -0.99 119.66 126.96 1why s GLN 132 Ca 0.01 -0.58 0.04 0.00 -2.00 0.00 0.00 55.36 52.84 1why s GLN 132 Cb -0.15 -2.98 -0.04 0.00 0.80 0.00 0.00 33.01 30.65 1why s GLN 132 CO -0.01 -0.02 -0.07 0.71 -0.50 0.00 0.00 175.29 175.41 1why s TYR 133 N 1.03 2.87 0.44 1.67 2.02 -1.13 -0.23 117.35 124.02 1why s TYR 133 Ca 0.01 -0.06 0.19 0.00 -0.37 0.00 0.00 57.07 56.84 1why s TYR 133 Cb -0.15 -1.56 1.16 0.00 -0.40 0.00 0.00 41.96 41.01 1why s TYR 133 CO 0.01 0.40 2.02 0.93 -1.57 0.00 0.00 175.55 177.33 1why h GLU 134 N 4.19 0.00 -6.28 -0.62 5.08 -1.88 -3.44 114.58 111.64 1why h GLU 134 Ca -0.48 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.26 1why h GLU 134 Cb 1.17 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 1why h GLU 134 CO 0.54 0.17 -0.76 -1.54 -1.00 0.00 0.00 179.01 176.42 1why s SER 135 N -6.70 3.62 -0.11 1.42 1.04 -1.26 -5.06 113.70 106.65 1why s SER 135 Ca -0.04 -0.98 -0.24 0.00 0.48 0.00 0.00 55.95 55.17 1why s SER 135 Cb 0.15 -0.33 -0.27 0.00 0.10 0.00 0.00 66.02 65.67 1why s SER 135 CO 0.66 0.05 0.74 0.25 0.98 0.00 0.00 173.24 175.92 1why h LEU 136 N 2.40 0.21 0.08 2.42 6.46 -1.94 -3.26 115.31 121.67 1why h LEU 136 Ca -0.41 -0.93 0.02 0.00 -0.12 0.00 0.00 57.88 56.44 1why h LEU 136 Cb 1.25 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 41.08 1why h LEU 136 CO 0.58 1.25 -0.25 0.44 -0.62 0.00 0.00 178.44 179.84 1why h ASP 137 N -0.71 -0.71 -1.01 1.25 5.19 -1.97 -1.73 116.42 116.74 1why h ASP 137 Ca -0.11 0.09 0.22 0.00 -0.62 0.00 0.00 57.03 56.61 1why h ASP 137 Cb 1.33 0.28 -0.12 0.00 0.18 0.00 0.00 39.33 41.01 1why h ASP 137 CO 0.04 -0.33 0.61 0.00 -3.12 0.00 0.00 179.24 176.44 1why h ALA 138 N 0.35 1.76 -0.07 3.45 0.00 -1.95 -0.44 119.26 122.35 1why h ALA 138 Ca 0.04 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1why h ALA 138 Cb 0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1why h ALA 138 CO -0.17 -0.19 0.03 0.00 0.00 0.00 0.00 179.25 178.92 1why h ALA 139 N 1.69 0.09 -0.75 0.00 0.00 -1.38 -2.75 119.26 116.16 1why h ALA 139 Ca 0.62 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.51 1why h ALA 139 Cb 1.10 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1why h ALA 139 CO -0.43 -0.33 0.44 1.96 0.00 0.00 0.00 179.25 180.89 1why h GLN 140 N -0.03 0.79 0.19 0.00 4.20 -0.43 -1.28 115.11 118.56 1why h GLN 140 Ca 0.02 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1why h GLN 140 Cb 0.14 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 1why h GLN 140 CO -0.00 0.52 -0.38 0.00 -0.67 0.00 0.00 178.83 178.30 1why h ALA 141 N 1.37 -0.70 0.16 3.87 0.00 -1.12 -2.36 119.26 120.49 1why h ALA 141 Ca 0.33 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1why h ALA 141 Cb 0.18 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1why h ALA 141 CO -0.18 -0.95 -0.19 0.00 0.00 0.00 0.00 179.25 177.93 1why h ALA 142 N -0.14 -0.37 -0.96 0.00 0.00 -1.21 -2.57 119.26 114.02 1why h ALA 142 Ca 0.01 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.10 1why h ALA 142 Cb 0.65 0.29 -0.18 0.00 0.00 0.00 0.00 17.79 18.55 1why h ALA 142 CO -0.18 -0.74 -0.12 0.00 0.00 0.00 0.00 179.25 178.21 1why h ALA 144 N 1.96 -0.98 -0.30 0.00 0.00 -1.05 -0.34 119.26 118.55 1why h ALA 144 Ca 0.51 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.42 1why h ALA 144 Cb 0.91 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 1why h ALA 144 CO -0.95 -0.96 -0.50 0.87 0.00 0.00 0.00 179.25 177.70 1why h LYS 145 N -0.22 -0.39 -0.35 0.00 6.56 -0.99 -2.24 116.57 118.93 1why h LYS 145 Ca -0.02 0.03 0.06 0.00 -1.06 0.00 0.00 60.65 59.65 1why h LYS 145 Cb 0.16 0.09 -0.08 0.00 -0.57 0.00 0.00 32.23 31.82 1why h LYS 145 CO 0.03 -0.26 -0.49 0.52 -2.06 0.00 0.00 179.45 177.19 1why h MET 146 N -0.41 -0.39 -3.93 3.15 2.86 -0.28 -3.38 114.93 112.55 1why h MET 146 Ca 0.06 0.03 -0.35 0.00 -2.06 0.00 0.00 59.70 57.37 1why h MET 146 Cb 0.56 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.23 1why h MET 146 CO -0.50 -0.26 1.48 0.54 1.06 0.00 0.00 176.91 179.23 1why n ARG 147 N -5.41 0.00 -1.20 1.72 1.74 -0.14 0.19 116.66 113.57 1why n ARG 147 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1why n ARG 147 Cb 0.35 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1why n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1why n GLY 148 N 4.79 1.03 3.76 -0.13 0.00 -0.80 -4.97 105.19 108.86 1why n GLY 148 Ca 0.53 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.38 3.36 -2.00 1.61 5.36 0.51 -4.77 117.98 119.66 1why s PHE 149 Ca 0.00 1.60 0.07 0.00 -0.96 0.00 0.00 56.93 57.65 1why s PHE 149 Cb 0.00 -3.39 0.42 0.00 -0.34 0.00 0.00 43.02 39.71 1why s PHE 149 CO 0.00 -0.99 0.88 -0.35 -1.46 0.00 0.00 175.22 173.29 1why n PRO 150 N 0.88 0.49 -1.00 10.12 -0.04 -1.26 -2.86 135.00 141.33 1why n PRO 150 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 1why n PRO 150 Cb 0.44 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 1why n PRO 150 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1why n LEU 151 N -0.73 -0.54 0.00 1.53 7.94 -1.26 -3.39 117.00 120.56 1why n LEU 151 Ca 0.05 0.79 0.00 0.00 -1.11 0.00 0.00 56.01 55.75 1why n LEU 151 Cb 0.02 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.32 1why n LEU 151 CO 0.04 -1.79 0.00 0.61 -1.11 0.00 0.00 177.39 175.14 1why n GLY 152 N 1.26 1.67 1.13 -3.96 0.00 -1.26 -4.51 105.19 99.52 1why n GLY 152 Ca 0.13 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 3.85 0.27 -0.02 0.00 -1.22 -5.01 105.19 103.06 1why n GLY 153 Ca 0.00 -2.04 0.16 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 0.10 1.61 0.13 -1.87 -3.14 132.00 128.83 1why h PRO 154 Ca -0.11 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.65 1why h PRO 154 Cb 0.41 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.51 1why h PRO 154 CO 0.18 0.04 -2.08 -3.47 -0.23 0.00 0.00 178.00 172.43 1why n ASP 155 N -3.15 2.10 -4.60 1.44 2.03 -1.26 -4.82 116.55 108.29 1why n ASP 155 Ca 0.00 0.15 -0.43 0.00 0.52 0.00 0.00 54.79 55.03 1why n ASP 155 Cb 0.31 -0.79 -0.02 0.00 -0.72 0.00 0.00 41.12 39.90 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1why s ARG 156 N -2.55 3.58 -0.09 -0.67 0.52 -1.19 -4.99 118.95 113.56 1why s ARG 156 Ca -0.25 0.94 0.03 0.00 -0.52 0.00 0.00 55.73 55.94 1why s ARG 156 Cb 0.07 -4.02 0.01 0.00 0.52 0.00 0.00 34.95 31.52 1why s ARG 156 CO 0.74 -1.56 -0.19 1.03 0.02 0.00 0.00 175.30 175.34 1why s ARG 157 N 4.92 2.53 0.61 3.54 0.52 -1.26 -4.09 118.95 125.71 1why s ARG 157 Ca 0.61 -0.70 -0.18 0.00 -0.52 0.00 0.00 55.73 54.94 1why s ARG 157 Cb -0.14 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 1why s ARG 157 CO 0.32 0.11 1.17 -0.51 0.02 0.00 0.00 175.30 176.42 1why s LEU 158 N 0.49 3.60 -0.26 2.53 1.43 -1.13 -4.85 118.68 120.47 1why s LEU 158 Ca -0.17 2.27 0.02 0.00 -1.03 0.00 0.00 54.13 55.23 1why s LEU 158 Cb -0.17 -4.59 0.07 0.00 0.03 0.00 0.00 46.19 41.53 1why s LEU 158 CO 0.07 -1.60 -0.06 -0.13 0.23 0.00 0.00 176.35 174.86 1why s ARG 159 N -3.52 1.82 -0.06 1.70 1.81 -1.20 -1.91 118.95 117.59 1why s ARG 159 Ca 0.74 -1.25 0.05 0.00 -1.72 0.00 0.00 55.73 53.56 1why s ARG 159 Cb -0.27 -2.76 -0.01 0.00 -0.45 0.00 0.00 34.95 31.46 1why s ARG 159 CO 0.34 -0.64 -0.22 0.08 -0.68 0.00 0.00 175.30 174.18 1why s VAL 160 N 1.22 1.87 -0.07 3.52 1.01 -1.26 -1.14 120.40 125.56 1why s VAL 160 Ca -0.04 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1why s VAL 160 Cb -0.19 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.63 1why s VAL 160 CO -0.07 0.52 0.15 -0.62 0.00 0.00 0.00 175.10 175.08 1why s ASP 161 N 0.01 -0.06 -0.20 3.32 -1.08 -0.32 -4.72 116.67 113.63 1why s ASP 161 Ca -0.07 0.31 -0.41 0.00 -0.52 0.00 0.00 52.55 51.86 1why s ASP 161 Cb -0.14 0.20 -0.18 0.00 -1.46 0.00 0.00 42.92 41.34 1why s ASP 161 CO 0.04 -0.16 1.48 0.49 0.52 0.00 0.00 175.17 177.54 1why n PHE 162 N 4.28 1.56 -1.50 -5.34 3.72 -1.26 -1.29 117.46 117.64 1why n PHE 162 Ca -0.25 0.83 -0.31 0.00 -0.05 0.00 0.00 57.45 57.67 1why n PHE 162 Cb 0.51 -2.29 0.07 0.00 -0.94 0.00 0.00 39.48 36.83 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 1.98 2.40 0.16 4.37 0.00 -1.19 -4.73 121.76 124.75 1why s ALA 163 Ca 0.95 -0.00 0.11 0.00 0.00 0.00 0.00 51.96 53.02 1why s ALA 163 Cb -1.20 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 18.72 1why s ALA 163 CO 0.64 -1.54 -0.26 0.21 0.00 0.00 0.00 175.76 174.81 1why s LYS 164 N -5.06 1.45 -0.09 0.00 2.20 -1.26 -4.78 119.74 112.20 1why s LYS 164 Ca 0.60 -1.43 -0.06 0.00 -0.36 0.00 0.00 55.97 54.71 1why s LYS 164 Cb -0.15 -1.87 0.03 0.00 -1.51 0.00 0.00 37.83 34.34 1why s LYS 164 CO 0.55 0.42 0.23 -1.54 -0.36 0.00 0.00 175.35 174.66 1why s SER 165 N -2.36 -0.24 -0.66 1.43 1.04 -1.26 -5.11 113.70 106.54 1why s SER 165 Ca 0.17 0.48 0.05 0.00 0.48 0.00 0.00 55.95 57.13 1why s SER 165 Cb -0.09 0.42 0.16 0.00 0.10 0.00 0.00 66.02 66.61 1why s SER 165 CO 0.08 -0.13 0.44 -0.83 0.98 0.00 0.00 173.24 173.79 1why s GLY 166 N 0.73 2.81 0.57 7.32 0.00 -1.26 -5.10 107.32 112.40 1why s GLY 166 Ca -0.05 -3.70 -0.18 0.00 0.00 0.00 0.00 44.72 40.79 1why s GLY 166 CO -0.04 1.09 1.12 2.56 0.00 0.00 0.00 173.10 177.83 1why s PRO 167 N -1.19 3.21 0.24 2.90 0.04 -1.26 -5.06 135.00 133.88 1why s PRO 167 Ca 0.23 1.55 -0.07 0.00 0.04 0.00 0.00 61.00 62.76 1why s PRO 167 Cb -0.09 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1why s PRO 167 CO -0.13 -0.95 0.34 -1.54 0.04 0.00 0.00 177.00 174.76 1why s SER 168 N -1.99 0.17 -0.29 6.66 1.04 -1.26 -5.17 113.70 112.85 1why s SER 168 Ca 0.71 -1.19 -0.17 0.00 0.48 0.00 0.00 55.95 55.78 1why s SER 168 Cb -0.23 0.52 0.18 0.00 0.10 0.00 0.00 66.02 66.59 1why s SER 168 CO 0.31 -1.05 1.16 -0.55 0.98 0.00 0.00 173.24 174.09 1why s SER 169 N -3.11 -0.25 0.00 7.02 0.15 -1.26 -5.36 113.70 110.90 1why s SER 169 Ca 0.30 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1why s SER 169 Cb 0.02 1.02 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1why s SER 169 CO 0.12 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.11