#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gfu n ALA 69 N 0.00 0.00 -2.51 7.82 0.00 -1.26 -4.89 120.51 119.67 2gfu n ALA 69 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2gfu n ALA 69 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2gfu n ALA 69 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2gfu s LYS 70 N 0.00 1.86 -0.24 0.00 -0.14 -1.26 -5.02 119.74 114.94 2gfu s LYS 70 Ca 0.00 -1.34 -0.09 0.00 -1.36 0.00 0.00 55.97 53.18 2gfu s LYS 70 Cb 0.00 -2.05 -0.04 0.00 -1.68 0.00 0.00 37.83 34.05 2gfu s LYS 70 CO 0.00 0.43 0.12 -0.80 -0.76 0.00 0.00 175.35 174.34 2gfu s ASN 71 N -2.71 5.69 0.00 2.83 -0.87 -1.26 -5.02 114.94 113.60 2gfu s ASN 71 Ca 0.23 -0.02 0.11 0.00 -1.57 0.00 0.00 52.86 51.61 2gfu s ASN 71 Cb -0.09 -2.02 0.66 0.00 -0.02 0.00 0.00 41.25 39.79 2gfu s ASN 71 CO 0.13 0.03 1.09 0.18 -2.57 0.00 0.00 177.10 175.96 2gfu n LEU 72 N 4.48 0.00 0.03 0.60 4.77 -1.26 -2.48 117.00 123.15 2gfu n LEU 72 Ca -0.15 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.94 2gfu n LEU 72 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2gfu n LEU 72 CO 0.33 0.00 -0.09 -0.46 -1.33 0.00 0.00 177.39 175.84 2gfu n ASN 73 N -0.89 0.58 0.00 -1.43 6.94 -1.26 -4.99 115.26 114.21 2gfu n ASN 73 Ca 0.08 -0.11 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 2gfu n ASN 73 Cb 0.04 0.89 0.00 0.00 -2.36 0.00 0.00 39.78 38.35 2gfu n ASN 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2gfu n GLY 74 N 1.33 0.62 0.00 4.83 0.00 -1.03 -5.04 105.19 105.89 2gfu n GLY 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2gfu n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gfu n GLY 75 N -1.72 3.61 0.00 -0.02 0.00 -1.26 -4.30 105.19 101.50 2gfu n GLY 75 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2gfu n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gfu n LEU 76 N 0.00 0.00 0.04 0.99 4.77 -1.26 -4.61 117.00 116.93 2gfu n LEU 76 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2gfu n LEU 76 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2gfu n LEU 76 CO 0.00 0.00 0.45 0.03 -1.33 0.00 0.00 177.39 176.54 2gfu h ARG 77 N 0.00 0.41 0.00 3.23 2.47 -1.99 -3.46 114.38 115.04 2gfu h ARG 77 Ca 0.00 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2gfu h ARG 77 Cb 0.00 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 2gfu h ARG 77 CO 0.00 0.90 0.00 -2.13 0.56 0.00 0.00 179.97 179.30 2gfu n ARG 78 N -3.90 0.00 -3.37 0.04 0.63 -1.26 -5.04 116.66 103.76 2gfu n ARG 78 Ca -0.03 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.71 2gfu n ARG 78 Cb 0.63 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.61 2gfu n ARG 78 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2gfu n SER 79 N 0.00 -5.50 0.00 6.15 2.88 -1.26 -4.31 113.62 111.57 2gfu n SER 79 Ca 0.00 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 2gfu n SER 79 Cb 0.00 -4.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.35 2gfu n SER 79 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2gfu n VAL 80 N -4.50 0.00 -3.81 2.46 3.14 -1.26 -4.81 118.33 109.54 2gfu n VAL 80 Ca 0.01 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.15 2gfu n VAL 80 Cb 0.55 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.31 2gfu n VAL 80 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gfu s ALA 81 N 0.00 3.88 0.09 1.55 0.00 -1.26 -5.06 121.76 120.96 2gfu s ALA 81 Ca 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 2gfu s ALA 81 Cb 0.00 -1.85 -0.19 0.00 0.00 0.00 0.00 23.12 21.07 2gfu s ALA 81 CO 0.00 0.28 1.22 -1.00 0.00 0.00 0.00 175.76 176.26 2gfu h PRO 82 N 1.40 0.60 0.00 0.00 0.13 -1.85 -3.46 132.00 128.82 2gfu h PRO 82 Ca -0.50 -0.66 0.00 0.00 -0.87 0.00 0.00 66.00 63.97 2gfu h PRO 82 Cb 1.22 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2gfu h PRO 82 CO 0.64 1.26 0.00 0.00 -0.23 0.00 0.00 178.00 179.66 2gfu n ALA 83 N -2.61 0.00 -2.97 -0.56 0.00 -1.26 -4.89 120.51 108.22 2gfu n ALA 83 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 2gfu n ALA 83 Cb 0.88 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.21 2gfu n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gfu s ALA 84 N -1.55 3.21 -0.13 0.00 0.00 -1.26 -4.82 121.76 117.21 2gfu s ALA 84 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2gfu s ALA 84 Cb 0.00 -2.26 0.14 0.00 0.00 0.00 0.00 23.12 21.00 2gfu s ALA 84 CO 0.00 -0.79 1.55 -0.35 0.00 0.00 0.00 175.76 176.17 2gfu n PRO 85 N 4.95 1.35 -1.78 0.00 -0.04 -1.26 -4.85 135.00 133.36 2gfu n PRO 85 Ca -0.15 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 2gfu n PRO 85 Cb 0.50 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2gfu n PRO 85 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2gfu n THR 86 N 0.44 0.00 0.00 0.52 5.66 -1.26 -5.15 114.28 114.49 2gfu n THR 86 Ca 0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 2gfu n THR 86 Cb 0.68 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.46 2gfu n THR 86 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2gfu n SER 87 N -0.02 0.00 0.00 1.09 3.41 -1.26 -5.08 113.62 111.76 2gfu n SER 87 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2gfu n SER 87 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2gfu n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2gfu n SER 88 N 0.00 -2.01 -4.40 4.04 3.41 -1.26 -4.97 113.62 108.42 2gfu n SER 88 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 2gfu n SER 88 Cb 0.00 -0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 63.41 2gfu n SER 88 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2gfu s ASP 89 N -2.89 6.01 -0.11 4.04 1.47 -1.26 -4.28 116.67 119.66 2gfu s ASP 89 Ca 0.00 -1.11 0.02 0.00 1.18 0.00 0.00 52.55 52.65 2gfu s ASP 89 Cb 0.00 -2.13 0.01 0.00 -0.34 0.00 0.00 42.92 40.46 2gfu s ASP 89 CO 0.00 -0.51 -0.18 -0.36 0.68 0.00 0.00 175.17 174.80 2gfu s PHE 90 N 1.62 2.16 0.39 2.11 0.08 -1.26 -5.15 117.98 117.93 2gfu s PHE 90 Ca 0.04 -0.98 0.08 0.00 0.12 0.00 0.00 56.93 56.19 2gfu s PHE 90 Cb -0.21 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 2gfu s PHE 90 CO 0.08 -0.46 0.17 -1.54 -0.10 0.00 0.00 175.22 173.37 2gfu s SER 91 N 0.77 4.50 -0.08 1.36 1.04 -1.26 -4.97 113.70 115.06 2gfu s SER 91 Ca -0.11 -0.99 -0.40 0.00 0.48 0.00 0.00 55.95 54.94 2gfu s SER 91 Cb -0.16 -0.54 -0.18 0.00 0.10 0.00 0.00 66.02 65.24 2gfu s SER 91 CO 0.01 -0.48 1.34 -2.65 0.98 0.00 0.00 173.24 172.44 2gfu n PRO 92 N -1.22 0.58 -0.05 4.02 -0.02 -1.26 -2.51 135.00 134.53 2gfu n PRO 92 Ca -0.01 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2gfu n PRO 92 Cb 0.64 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2gfu n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gfu n GLY 93 N 2.59 0.54 3.95 -1.23 0.00 -0.38 -4.92 105.19 105.74 2gfu n GLY 93 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 2gfu n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gfu s ASP 94 N -2.98 6.19 -0.11 1.61 1.01 -1.05 -4.92 116.67 116.43 2gfu s ASP 94 Ca 0.00 0.32 -0.01 0.00 0.71 0.00 0.00 52.55 53.57 2gfu s ASP 94 Cb 0.00 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 2gfu s ASP 94 CO 0.00 -0.35 -0.05 -0.76 0.21 0.00 0.00 175.17 174.22 2gfu s LEU 95 N -4.30 3.21 0.17 1.23 2.01 -1.26 -2.28 118.68 117.45 2gfu s LEU 95 Ca 0.41 -0.07 0.06 0.00 0.01 0.00 0.00 54.13 54.55 2gfu s LEU 95 Cb -0.10 -1.73 -0.04 0.00 0.01 0.00 0.00 46.19 44.33 2gfu s LEU 95 CO 0.35 0.28 -0.13 -0.69 1.01 0.00 0.00 176.35 177.17 2gfu s VAL 96 N -0.29 1.44 -0.24 -1.59 1.01 -1.04 -1.71 120.40 117.97 2gfu s VAL 96 Ca 0.04 -2.06 -0.07 0.00 0.00 0.00 0.00 61.98 59.89 2gfu s VAL 96 Cb -0.13 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 2gfu s VAL 96 CO 0.02 -0.62 0.05 0.26 0.00 0.00 0.00 175.10 174.81 2gfu s TRP 97 N -2.96 3.07 -0.02 5.22 0.52 0.08 -0.59 118.94 124.26 2gfu s TRP 97 Ca 0.18 -0.48 -0.00 0.00 0.02 0.00 0.00 56.10 55.81 2gfu s TRP 97 Cb -0.00 -2.21 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 2gfu s TRP 97 CO 0.04 -0.37 0.04 0.00 0.02 0.00 0.00 176.95 176.68 2gfu s ALA 98 N 1.56 3.44 -0.08 0.98 0.00 -0.04 -0.70 121.76 126.92 2gfu s ALA 98 Ca 0.06 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.17 2gfu s ALA 98 Cb -0.15 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 2gfu s ALA 98 CO 0.03 0.65 -0.16 0.21 0.00 0.00 0.00 175.76 176.49 2gfu s LYS 99 N -1.49 2.87 0.05 0.00 2.36 -0.60 -1.08 119.74 121.84 2gfu s LYS 99 Ca 0.20 -0.74 0.06 0.00 -2.55 0.00 0.00 55.97 52.93 2gfu s LYS 99 Cb -0.12 -2.43 -0.02 0.00 -1.05 0.00 0.00 37.83 34.21 2gfu s LYS 99 CO 0.10 0.40 -0.16 1.41 1.55 0.00 0.00 175.35 178.66 2gfu s MET 100 N -0.17 1.01 -0.62 4.03 -2.45 -1.26 -4.81 119.30 115.03 2gfu s MET 100 Ca -0.01 -0.84 -0.26 0.00 -1.25 0.00 0.00 55.69 53.33 2gfu s MET 100 Cb -0.13 -1.05 -0.04 0.00 1.25 0.00 0.00 34.83 34.86 2gfu s MET 100 CO 0.03 0.26 1.99 -2.00 1.05 0.00 0.00 175.02 176.36 2gfu s GLU 101 N -1.28 2.48 0.00 4.11 2.12 -1.26 -1.50 118.70 123.37 2gfu s GLU 101 Ca 0.02 0.69 0.00 0.00 0.36 0.00 0.00 54.97 56.04 2gfu s GLU 101 Cb -0.08 -4.50 0.00 0.00 0.26 0.00 0.00 34.13 29.81 2gfu s GLU 101 CO 0.02 -2.95 0.00 0.41 -0.54 0.00 0.00 175.26 172.20 2gfu n GLY 102 N 5.89 0.99 3.84 -1.50 0.00 -1.26 -5.11 105.19 108.04 2gfu n GLY 102 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 2gfu n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gfu s TYR 103 N -2.00 3.17 0.90 1.61 1.51 -0.56 -5.14 117.35 116.83 2gfu s TYR 103 Ca 0.00 -0.07 -0.12 0.00 -1.01 0.00 0.00 57.07 55.87 2gfu s TYR 103 Cb 0.00 -1.45 0.13 0.00 -0.11 0.00 0.00 41.96 40.53 2gfu s TYR 103 CO 0.00 0.51 1.10 -1.25 -1.11 0.00 0.00 175.55 174.80 2gfu s PRO 104 N -3.69 1.27 -0.17 -1.71 0.04 -1.26 -4.56 135.00 124.92 2gfu s PRO 104 Ca 0.33 0.63 -0.32 0.00 0.04 0.00 0.00 61.00 61.68 2gfu s PRO 104 Cb -0.09 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 2gfu s PRO 104 CO 0.25 -2.19 2.06 0.91 0.04 0.00 0.00 177.00 178.07 2gfu n TRP 105 N -3.82 2.09 -3.89 0.56 7.02 -1.26 -4.49 117.44 113.65 2gfu n TRP 105 Ca 0.07 -0.02 -0.35 0.00 -1.02 0.00 0.00 57.50 56.17 2gfu n TRP 105 Cb 0.56 -2.67 -0.13 0.00 -2.42 0.00 0.00 31.31 26.65 2gfu n TRP 105 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2gfu s TRP 106 N 6.05 3.33 -0.41 -5.99 0.23 -0.24 -4.93 118.94 116.98 2gfu s TRP 106 Ca 0.98 -1.99 -0.30 0.00 -2.03 0.00 0.00 56.10 52.76 2gfu s TRP 106 Cb -0.60 -2.30 -0.09 0.00 0.03 0.00 0.00 33.47 30.51 2gfu s TRP 106 CO 0.45 -0.83 2.31 -0.35 0.96 0.00 0.00 176.95 179.49 2gfu n PRO 107 N 4.60 1.23 -4.28 4.98 -0.04 -1.26 -0.86 135.00 139.38 2gfu n PRO 107 Ca -0.11 0.25 -0.24 0.00 -0.04 0.00 0.00 63.50 63.36 2gfu n PRO 107 Cb 0.43 -2.90 -0.08 0.00 -0.04 0.00 0.00 33.50 30.91 2gfu n PRO 107 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2gfu s SER 108 N 9.23 4.34 -0.10 3.54 0.01 0.24 -3.42 113.70 127.53 2gfu s SER 108 Ca 1.06 -0.89 0.03 0.00 1.31 0.00 0.00 55.95 57.45 2gfu s SER 108 Cb -0.54 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 65.09 2gfu s SER 108 CO 0.38 -0.21 -0.18 -0.22 0.41 0.00 0.00 173.24 173.42 2gfu s LEU 109 N -3.74 1.86 -0.29 2.44 2.96 -0.47 -2.51 118.68 118.93 2gfu s LEU 109 Ca 0.35 -0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 53.61 2gfu s LEU 109 Cb -0.02 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 2gfu s LEU 109 CO 0.20 0.07 0.57 0.54 -1.32 0.00 0.00 176.35 176.41 2gfu s VAL 110 N 0.71 5.00 0.16 1.68 0.11 -0.97 -0.87 120.40 126.23 2gfu s VAL 110 Ca -0.12 0.85 0.11 0.00 -2.93 0.00 0.00 61.98 59.89 2gfu s VAL 110 Cb -0.16 -3.92 -0.04 0.00 -1.53 0.00 0.00 36.38 30.73 2gfu s VAL 110 CO 0.03 -0.04 -0.24 -0.47 -3.33 0.00 0.00 175.10 171.05 2gfu s TYR 111 N 2.46 2.19 -0.42 1.54 5.04 -1.23 -1.25 117.35 125.68 2gfu s TYR 111 Ca 0.23 -0.38 -0.22 0.00 -2.44 0.00 0.00 57.07 54.26 2gfu s TYR 111 Cb -0.15 -1.13 0.02 0.00 0.35 0.00 0.00 41.96 41.05 2gfu s TYR 111 CO 0.10 0.40 0.72 0.54 -1.34 0.00 0.00 175.55 175.98 2gfu s ASN 112 N -2.40 6.41 0.22 4.32 4.22 -1.26 -4.63 114.94 121.81 2gfu s ASN 112 Ca 0.16 -0.07 0.05 0.00 -2.14 0.00 0.00 52.86 50.86 2gfu s ASN 112 Cb -0.09 -2.36 -0.03 0.00 1.28 0.00 0.00 41.25 40.05 2gfu s ASN 112 CO 0.08 -0.80 0.32 -2.28 -2.04 0.00 0.00 177.10 172.37 2gfu s HIS 113 N 3.05 3.41 -0.98 1.54 2.46 -1.26 -4.91 115.29 118.60 2gfu s HIS 113 Ca 0.27 0.00 0.00 0.00 0.47 0.00 0.00 55.06 55.80 2gfu s HIS 113 Cb -0.13 -1.57 0.00 0.00 -0.13 0.00 0.00 32.58 30.75 2gfu s HIS 113 CO 0.20 0.47 0.26 -2.30 -2.47 0.00 0.00 174.74 170.90 2gfu n PRO 114 N -1.16 0.00 0.00 2.88 -0.02 -1.26 0.08 135.00 135.53 2gfu n PRO 114 Ca -0.08 0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.51 2gfu n PRO 114 Cb 0.56 -1.51 0.09 0.00 -0.02 0.00 0.00 33.50 32.63 2gfu n PRO 114 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2gfu n PHE 115 N -0.76 0.00 -0.03 6.00 3.72 -1.26 -5.07 117.46 120.05 2gfu n PHE 115 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 2gfu n PHE 115 Cb 0.01 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.55 2gfu n PHE 115 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2gfu n ASP 116 N 1.21 0.02 0.00 4.37 5.68 0.11 -3.48 116.55 124.47 2gfu n ASP 116 Ca 0.13 0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 2gfu n ASP 116 Cb 0.55 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 2gfu n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2gfu n GLY 117 N 0.08 2.79 3.09 6.12 0.00 -1.26 -4.97 105.19 111.04 2gfu n GLY 117 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2gfu n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gfu s THR 118 N -2.49 2.00 0.00 2.61 -4.23 -1.23 -5.01 115.64 107.30 2gfu s THR 118 Ca 0.00 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 2gfu s THR 118 Cb 0.00 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2gfu s THR 118 CO 0.00 0.41 0.11 2.22 -0.54 0.00 0.00 174.62 176.82 2gfu n PHE 119 N 4.61 0.00 -4.01 3.99 -1.74 -1.26 -4.75 117.46 114.30 2gfu n PHE 119 Ca -0.19 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.48 2gfu n PHE 119 Cb 0.48 0.01 -0.05 0.00 1.52 0.00 0.00 39.48 41.44 2gfu n PHE 119 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 2gfu s ILE 120 N 0.00 3.69 -0.05 1.97 -4.36 -1.26 -3.38 121.20 117.81 2gfu s ILE 120 Ca 0.00 -1.51 -0.16 0.00 -0.26 0.00 0.00 60.65 58.73 2gfu s ILE 120 Cb 0.00 -3.17 0.03 0.00 1.25 0.00 0.00 42.46 40.57 2gfu s ILE 120 CO 0.00 -0.25 0.36 -0.60 0.24 0.00 0.00 174.94 174.69 2gfu s ARG 121 N -3.88 0.65 -0.07 0.37 3.52 -1.14 -5.03 118.95 113.37 2gfu s ARG 121 Ca 0.37 0.01 -0.04 0.00 -0.13 0.00 0.00 55.73 55.93 2gfu s ARG 121 Cb -0.06 0.29 0.03 0.00 -1.56 0.00 0.00 34.95 33.66 2gfu s ARG 121 CO 0.25 -0.17 0.16 -2.00 -0.81 0.00 0.00 175.30 172.73 2gfu s GLU 122 N -0.97 0.14 -0.50 5.12 2.12 -1.26 -2.27 118.70 121.08 2gfu s GLU 122 Ca -0.10 0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.57 2gfu s GLU 122 Cb -0.04 -0.06 0.13 0.00 0.26 0.00 0.00 34.13 34.42 2gfu s GLU 122 CO 0.04 -0.10 0.26 0.21 -0.54 0.00 0.00 175.26 175.12 2gfu s LYS 123 N 0.72 2.02 2.49 4.30 2.20 -0.38 -5.03 119.74 126.06 2gfu s LYS 123 Ca -0.05 -2.37 0.00 0.00 -0.36 0.00 0.00 55.97 53.19 2gfu s LYS 123 Cb -0.07 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 2gfu s LYS 123 CO -0.04 -1.09 0.00 0.41 -0.36 0.00 0.00 175.35 174.28 2gfu n GLY 124 N 3.58 0.45 0.14 5.54 0.00 -1.26 -1.10 105.19 112.54 2gfu n GLY 124 Ca 0.05 0.60 0.08 0.00 0.00 0.00 0.00 46.02 46.76 2gfu n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gfu n LYS 125 N 0.00 1.08 -4.01 1.61 3.00 -1.26 -4.94 118.16 113.63 2gfu n LYS 125 Ca 0.00 -2.33 -0.33 0.00 -0.00 0.00 0.00 58.31 55.65 2gfu n LYS 125 Cb 0.00 -1.34 -0.15 0.00 0.00 0.00 0.00 35.03 33.55 2gfu n LYS 125 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2gfu s SER 126 N -2.58 4.62 -0.10 3.14 0.15 -0.26 -5.09 113.70 113.58 2gfu s SER 126 Ca 0.27 -1.46 -0.00 0.00 0.70 0.00 0.00 55.95 55.45 2gfu s SER 126 Cb 0.24 -1.61 -0.03 0.00 -1.71 0.00 0.00 66.02 62.91 2gfu s SER 126 CO 0.02 -0.24 -0.08 0.54 1.20 0.00 0.00 173.24 174.69 2gfu s VAL 127 N 1.12 3.55 0.13 4.45 0.11 -1.26 -1.25 120.40 127.25 2gfu s VAL 127 Ca -0.05 -0.51 0.09 0.00 -2.93 0.00 0.00 61.98 58.58 2gfu s VAL 127 Cb -0.20 -2.48 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 2gfu s VAL 127 CO -0.04 0.55 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.93 2gfu s ARG 128 N -0.23 1.26 0.20 1.54 0.52 -0.96 -0.51 118.95 120.76 2gfu s ARG 128 Ca 0.03 -1.29 0.05 0.00 -0.52 0.00 0.00 55.73 54.00 2gfu s ARG 128 Cb -0.13 -1.57 -0.05 0.00 0.52 0.00 0.00 34.95 33.72 2gfu s ARG 128 CO 0.03 0.36 -0.06 0.14 0.02 0.00 0.00 175.30 175.79 2gfu s VAL 129 N -1.31 1.21 -0.24 3.52 -7.23 -1.02 -2.86 120.40 112.47 2gfu s VAL 129 Ca 0.11 -2.07 -0.17 0.00 -1.81 0.00 0.00 61.98 58.04 2gfu s VAL 129 Cb -0.09 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 2gfu s VAL 129 CO 0.06 -0.50 0.47 -1.38 -0.31 0.00 0.00 175.10 173.44 2gfu s HIS 130 N -3.30 3.30 0.33 2.82 -3.43 -1.22 -2.26 115.29 111.54 2gfu s HIS 130 Ca 0.24 0.62 0.04 0.00 -0.80 0.00 0.00 55.06 55.16 2gfu s HIS 130 Cb 0.04 -2.65 -0.03 0.00 -1.43 0.00 0.00 32.58 28.51 2gfu s HIS 130 CO 0.06 -0.19 0.19 0.14 -2.00 0.00 0.00 174.74 172.94 2gfu s VAL 131 N 1.96 0.27 0.07 -5.38 -7.23 -1.23 -3.57 120.40 105.28 2gfu s VAL 131 Ca 0.20 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.40 2gfu s VAL 131 Cb -0.15 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 2gfu s VAL 131 CO 0.09 0.00 -0.09 0.00 -0.31 0.00 0.00 175.10 174.79 2gfu s GLN 132 N -3.69 0.69 -0.30 4.82 -2.07 -0.05 -3.61 119.66 115.46 2gfu s GLN 132 Ca 0.35 -0.96 -0.08 0.00 -1.82 0.00 0.00 55.36 52.85 2gfu s GLN 132 Cb 0.04 -0.44 -0.00 0.00 -1.09 0.00 0.00 33.01 31.52 2gfu s GLN 132 CO 0.20 0.07 0.10 -0.06 -1.32 0.00 0.00 175.29 174.29 2gfu s PHE 133 N -1.87 3.15 -0.33 9.60 0.08 0.03 -1.37 117.98 127.26 2gfu s PHE 133 Ca -0.02 -0.78 -0.03 0.00 0.12 0.00 0.00 56.93 56.21 2gfu s PHE 133 Cb -0.07 -2.29 -0.06 0.00 -0.57 0.00 0.00 43.02 40.04 2gfu s PHE 133 CO 0.00 -0.51 1.63 1.19 -0.10 0.00 0.00 175.22 177.42 2gfu n PHE 134 N 4.91 0.49 0.00 0.36 3.72 -1.22 -2.55 117.46 123.18 2gfu n PHE 134 Ca -0.14 -1.03 0.00 0.00 -0.05 0.00 0.00 57.45 56.22 2gfu n PHE 134 Cb 0.49 -1.07 0.00 0.00 -0.94 0.00 0.00 39.48 37.96 2gfu n PHE 134 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2gfu n ASP 135 N 3.84 0.00 -0.05 4.37 5.75 -1.26 -4.01 116.55 125.18 2gfu n ASP 135 Ca 0.22 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.91 2gfu n ASP 135 Cb 0.17 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 2gfu n ASP 135 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2gfu n ASP 136 N 0.00 1.62 0.02 -1.12 8.00 -1.26 -4.81 116.55 119.00 2gfu n ASP 136 Ca 0.00 0.26 -0.19 0.00 0.71 0.00 0.00 54.79 55.57 2gfu n ASP 136 Cb 0.00 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.39 2gfu n ASP 136 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2gfu h SER 137 N -0.68 0.76 -3.43 -2.24 0.87 -1.96 -3.48 113.55 103.39 2gfu h SER 137 Ca -0.08 -0.74 -0.35 0.00 -1.23 0.00 0.00 61.79 59.39 2gfu h SER 137 Cb 0.80 -0.23 0.15 0.00 -0.44 0.00 0.00 62.40 62.68 2gfu h SER 137 CO -0.05 1.40 0.31 -0.81 -0.53 0.00 0.00 176.83 177.15 2gfu n PRO 138 N -4.01 -1.27 -3.63 2.24 -0.04 -1.26 -4.78 135.00 122.25 2gfu n PRO 138 Ca -0.11 -1.64 -0.36 0.00 -0.04 0.00 0.00 63.50 61.36 2gfu n PRO 138 Cb 0.79 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 33.05 2gfu n PRO 138 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2gfu s THR 139 N -3.26 5.17 0.01 0.52 -1.32 -1.06 -4.96 115.64 110.74 2gfu s THR 139 Ca 0.61 0.50 -0.03 0.00 -1.21 0.00 0.00 61.69 61.56 2gfu s THR 139 Cb -0.02 -3.62 -0.01 0.00 -1.51 0.00 0.00 72.50 67.34 2gfu s THR 139 CO 0.43 0.46 0.04 -0.60 -2.21 0.00 0.00 174.62 172.74 2gfu s ARG 140 N -1.45 0.37 0.00 7.08 3.00 -1.26 -0.79 118.95 125.90 2gfu s ARG 140 Ca 0.26 -0.48 -0.02 0.00 -1.00 0.00 0.00 55.73 54.49 2gfu s ARG 140 Cb -0.14 0.14 0.01 0.00 0.00 0.00 0.00 34.95 34.95 2gfu s ARG 140 CO 0.14 -0.07 0.07 0.41 0.00 0.00 0.00 175.30 175.85 2gfu n GLY 141 N 1.63 0.80 3.62 8.12 0.00 -1.24 -5.06 105.19 113.07 2gfu n GLY 141 Ca -0.23 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 2gfu n GLY 141 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gfu s TRP 142 N -3.81 3.28 0.26 1.61 0.52 -1.26 -3.54 118.94 116.00 2gfu s TRP 142 Ca 0.02 0.80 0.05 0.00 0.02 0.00 0.00 56.10 56.98 2gfu s TRP 142 Cb -0.00 -2.85 -0.03 0.00 -1.15 0.00 0.00 33.47 29.44 2gfu s TRP 142 CO 0.00 -0.34 0.39 0.14 0.02 0.00 0.00 176.95 177.17 2gfu s VAL 143 N 2.51 5.15 -0.46 4.03 -7.23 -0.96 -4.95 120.40 118.49 2gfu s VAL 143 Ca 0.26 -0.92 -0.28 0.00 -1.81 0.00 0.00 61.98 59.23 2gfu s VAL 143 Cb -0.15 -3.83 -0.01 0.00 0.56 0.00 0.00 36.38 32.95 2gfu s VAL 143 CO 0.09 -0.35 1.70 -0.55 -0.31 0.00 0.00 175.10 175.68 2gfu s SER 144 N -4.00 5.81 0.36 4.85 0.15 -1.26 -2.44 113.70 117.15 2gfu s SER 144 Ca 0.36 0.78 0.14 0.00 0.70 0.00 0.00 55.95 57.92 2gfu s SER 144 Cb -0.09 -2.53 0.67 0.00 -1.71 0.00 0.00 66.02 62.35 2gfu s SER 144 CO 0.30 -1.87 1.78 0.50 1.20 0.00 0.00 173.24 175.15 2gfu h LYS 145 N 12.90 0.00 0.00 5.44 3.64 -1.12 -2.04 116.57 135.39 2gfu h LYS 145 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2gfu h LYS 145 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2gfu h LYS 145 CO 1.12 0.42 0.00 -2.13 -2.27 0.00 0.00 179.45 176.59 2gfu n ARG 146 N -3.95 0.18 -0.82 1.90 0.63 -1.25 -1.61 116.66 111.75 2gfu n ARG 146 Ca -0.02 0.48 0.08 0.00 -0.92 0.00 0.00 57.85 57.47 2gfu n ARG 146 Cb 0.46 -1.90 0.39 0.00 0.45 0.00 0.00 32.46 31.86 2gfu n ARG 146 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2gfu n LEU 147 N -2.25 5.47 -4.69 6.15 4.77 -0.77 -4.94 117.00 120.75 2gfu n LEU 147 Ca 0.01 -2.79 -0.35 0.00 -0.03 0.00 0.00 56.01 52.85 2gfu n LEU 147 Cb 0.18 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 2gfu n LEU 147 CO 0.17 0.69 -0.22 -0.76 -1.33 0.00 0.00 177.39 175.94 2gfu s LEU 148 N -2.49 3.98 0.22 2.23 1.43 -0.64 -1.56 118.68 121.85 2gfu s LEU 148 Ca 0.54 0.16 0.10 0.00 -1.03 0.00 0.00 54.13 53.90 2gfu s LEU 148 Cb 0.39 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2gfu s LEU 148 CO 0.19 0.20 -0.10 -0.54 0.23 0.00 0.00 176.35 176.33 2gfu s LYS 149 N 0.21 2.01 0.39 1.70 1.02 0.12 -4.82 119.74 120.38 2gfu s LYS 149 Ca 0.06 -1.41 -0.18 0.00 0.02 0.00 0.00 55.97 54.46 2gfu s LYS 149 Cb -0.12 -2.07 -0.10 0.00 -0.52 0.00 0.00 37.83 35.02 2gfu s LYS 149 CO -0.00 0.40 0.86 -1.25 -0.92 0.00 0.00 175.35 174.43 2gfu s PRO 150 N -3.14 4.09 -0.18 -1.68 0.04 -1.26 -0.74 135.00 132.13 2gfu s PRO 150 Ca 0.27 0.89 0.01 0.00 0.04 0.00 0.00 61.00 62.21 2gfu s PRO 150 Cb -0.07 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.20 2gfu s PRO 150 CO 0.16 0.03 -0.20 -0.47 0.04 0.00 0.00 177.00 176.56 2gfu s TYR 151 N -2.14 2.74 0.00 0.56 6.14 -0.69 -4.61 117.35 119.35 2gfu s TYR 151 Ca 0.58 -1.62 0.02 0.00 0.64 0.00 0.00 57.07 56.68 2gfu s TYR 151 Cb -0.10 -1.90 0.03 0.00 0.42 0.00 0.00 41.96 40.41 2gfu s TYR 151 CO 0.17 -0.80 0.73 -2.37 0.64 0.00 0.00 175.55 173.92 2gfu n THR 152 N 4.63 0.00 -2.74 4.34 5.66 -1.26 -4.67 114.28 120.24 2gfu n THR 152 Ca -0.21 -0.06 -0.09 0.00 -3.05 0.00 0.00 64.05 60.65 2gfu n THR 152 Cb 0.50 0.25 0.09 0.00 -1.55 0.00 0.00 70.33 69.62 2gfu n THR 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2gfu n GLY 153 N 0.03 1.02 0.24 1.09 0.00 -1.26 -4.90 105.19 101.41 2gfu n GLY 153 Ca -0.04 -0.14 0.16 0.00 0.00 0.00 0.00 46.02 46.00 2gfu n GLY 153 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gfu h SER 154 N 2.64 0.00 -0.42 1.61 0.02 -1.92 -2.30 113.55 113.17 2gfu h SER 154 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2gfu h SER 154 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2gfu h SER 154 CO 0.08 0.00 0.00 2.29 -1.14 0.00 0.00 176.83 178.06 2gfu n LYS 155 N -2.72 3.29 -4.29 3.45 2.85 -1.26 -4.46 118.16 115.01 2gfu n LYS 155 Ca -0.00 -2.66 -0.21 0.00 -1.05 0.00 0.00 58.31 54.38 2gfu n LYS 155 Cb 0.18 -1.73 -0.12 0.00 -0.65 0.00 0.00 35.03 32.71 2gfu n LYS 155 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2gfu s SER 156 N -1.29 2.46 0.42 -5.58 1.04 -0.87 -5.05 113.70 104.83 2gfu s SER 156 Ca 0.41 -0.79 0.10 0.00 0.48 0.00 0.00 55.95 56.15 2gfu s SER 156 Cb 0.28 -0.13 0.55 0.00 0.10 0.00 0.00 66.02 66.82 2gfu s SER 156 CO 0.16 -0.03 1.19 0.07 0.98 0.00 0.00 173.24 175.61 2gfu h LYS 157 N 3.60 0.00 -0.01 4.02 2.10 -1.94 0.58 116.57 124.91 2gfu h LYS 157 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2gfu h LYS 157 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2gfu h LYS 157 CO 0.47 0.00 -0.50 -0.85 -2.00 0.00 0.00 179.45 176.57 2gfu n GLU 158 N -2.14 0.79 -0.10 0.07 0.00 -1.26 -3.89 120.64 114.10 2gfu n GLU 158 Ca -0.01 -0.59 0.08 0.00 0.00 0.00 0.00 57.16 56.64 2gfu n GLU 158 Cb 0.54 -1.49 0.11 0.00 0.00 0.00 0.00 31.44 30.61 2gfu n GLU 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2gfu n ALA 159 N -0.59 2.19 -3.78 -1.84 0.00 0.20 -2.30 120.51 114.39 2gfu n ALA 159 Ca 0.09 -2.28 -0.09 0.00 0.00 0.00 0.00 53.44 51.17 2gfu n ALA 159 Cb 0.40 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 2gfu n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gfu n GLN 160 N -1.19 0.81 -2.22 0.00 -0.00 -1.25 -4.79 117.38 108.75 2gfu n GLN 160 Ca 0.13 -1.10 -0.42 0.00 -0.00 0.00 0.00 57.00 55.60 2gfu n GLN 160 Cb 0.60 0.60 -0.03 0.00 -0.00 0.00 0.00 30.24 31.42 2gfu n GLN 160 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2gfu s LYS 161 N -2.50 4.25 0.00 2.61 2.20 -1.26 -1.53 119.74 123.51 2gfu s LYS 161 Ca 0.07 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.62 2gfu s LYS 161 Cb 0.00 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2gfu s LYS 161 CO 0.05 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 2gfu n GLY 162 N 3.75 0.32 3.81 5.54 0.00 -1.26 -5.09 105.19 112.27 2gfu n GLY 162 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2gfu n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gfu s GLY 163 N -1.60 2.51 0.42 -0.02 0.00 -0.58 -4.97 107.32 103.08 2gfu s GLY 163 Ca 0.00 0.40 0.08 0.00 0.00 0.00 0.00 44.72 45.20 2gfu s GLY 163 CO 0.00 0.72 2.07 0.84 0.00 0.00 0.00 173.10 176.73 2gfu h HIS 164 N 2.34 0.46 -0.01 1.90 2.76 -1.71 -3.10 115.15 117.79 2gfu h HIS 164 Ca -0.48 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 2gfu h HIS 164 Cb 1.18 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.99 2gfu h HIS 164 CO 0.62 0.29 -0.50 1.19 -1.30 0.00 0.00 177.93 178.22 2gfu n PHE 165 N -4.48 0.00 -3.30 5.26 3.72 -0.97 -5.03 117.46 112.65 2gfu n PHE 165 Ca 0.03 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.10 2gfu n PHE 165 Cb 0.07 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.56 2gfu n PHE 165 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2gfu s TYR 166 N -2.32 3.46 -0.07 1.38 5.04 -1.17 -4.77 117.35 118.89 2gfu s TYR 166 Ca 0.14 1.05 -0.30 0.00 -2.44 0.00 0.00 57.07 55.52 2gfu s TYR 166 Cb 0.15 -2.39 0.09 0.00 0.35 0.00 0.00 41.96 40.17 2gfu s TYR 166 CO 0.55 0.25 0.80 -1.12 -1.34 0.00 0.00 175.55 174.70 2gfu s SER 167 N -2.16 -0.53 -0.42 4.32 0.01 -1.26 -4.89 113.70 108.78 2gfu s SER 167 Ca 0.47 0.50 -0.04 0.00 1.31 0.00 0.00 55.95 58.20 2gfu s SER 167 Cb -0.12 0.45 0.11 0.00 0.21 0.00 0.00 66.02 66.67 2gfu s SER 167 CO 0.20 -0.54 0.23 0.00 0.41 0.00 0.00 173.24 173.53 2gfu s ALA 168 N -1.48 3.19 0.00 1.44 0.00 -1.26 -4.66 121.76 119.00 2gfu s ALA 168 Ca -0.06 -2.53 0.08 0.00 0.00 0.00 0.00 51.96 49.45 2gfu s ALA 168 Cb -0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 2gfu s ALA 168 CO 0.04 -1.81 -0.25 0.21 0.00 0.00 0.00 175.76 173.94 2gfu s LYS 169 N 1.18 1.94 0.51 0.00 2.20 -1.26 -5.07 119.74 119.25 2gfu s LYS 169 Ca 0.08 -0.97 0.25 0.00 -0.36 0.00 0.00 55.97 54.96 2gfu s LYS 169 Cb -0.23 -1.96 1.40 0.00 -1.51 0.00 0.00 37.83 35.52 2gfu s LYS 169 CO -0.04 0.53 2.08 -1.00 -0.36 0.00 0.00 175.35 176.56 2gfu h PRO 170 N 5.25 0.00 -0.22 4.03 0.13 -1.99 -2.62 132.00 136.57 2gfu h PRO 170 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.56 2gfu h PRO 170 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2gfu h PRO 170 CO 0.46 0.12 -0.43 0.93 -0.23 0.00 0.00 178.00 178.84 2gfu h GLU 171 N 0.00 0.54 -0.26 0.86 4.39 -1.91 0.25 114.58 118.44 2gfu h GLU 171 Ca -0.00 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.30 2gfu h GLU 171 Cb 0.29 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2gfu h GLU 171 CO 0.02 0.87 -0.27 0.82 -1.16 0.00 0.00 179.01 179.28 2gfu h ILE 172 N 0.44 1.31 -0.21 3.13 1.08 -1.77 -2.42 117.51 119.06 2gfu h ILE 172 Ca 0.03 -1.44 -0.07 0.00 -0.39 0.00 0.00 64.86 62.99 2gfu h ILE 172 Cb 0.94 1.64 -0.00 0.00 -3.07 0.00 0.00 36.82 36.33 2gfu h ILE 172 CO 0.08 0.45 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.79 2gfu h LEU 173 N 0.37 0.49 -1.55 1.44 3.38 -1.50 -2.41 115.31 115.54 2gfu h LEU 173 Ca 0.04 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.63 2gfu h LEU 173 Cb 0.84 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2gfu h LEU 173 CO 0.07 0.83 0.38 -0.09 0.09 0.00 0.00 178.44 179.71 2gfu h ARG 174 N 0.17 0.55 -0.09 1.13 2.43 -0.54 0.85 114.38 118.87 2gfu h ARG 174 Ca 0.04 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2gfu h ARG 174 Cb 0.66 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2gfu h ARG 174 CO 0.04 0.36 -0.01 0.00 -1.51 0.00 0.00 179.97 178.85 2gfu h ALA 175 N 1.69 0.12 -0.93 2.80 0.00 -1.48 0.59 119.26 122.04 2gfu h ALA 175 Ca 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2gfu h ALA 175 Cb 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2gfu h ALA 175 CO -0.07 -0.18 0.58 0.52 0.00 0.00 0.00 179.25 180.10 2gfu h MET 176 N -0.13 1.25 0.13 0.00 2.86 -0.76 0.37 114.93 118.64 2gfu h MET 176 Ca 0.02 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2gfu h MET 176 Cb 0.37 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2gfu h MET 176 CO 0.01 0.86 -0.06 1.96 1.06 0.00 0.00 176.91 180.74 2gfu h GLN 177 N 1.28 -0.16 -0.10 1.72 4.20 -0.89 -0.71 115.11 120.45 2gfu h GLN 177 Ca 0.34 0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.89 2gfu h GLN 177 Cb -0.08 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2gfu h GLN 177 CO -0.07 0.23 -0.66 0.07 -0.67 0.00 0.00 178.83 177.73 2gfu h ARG 178 N -0.59 0.41 -0.42 1.46 0.11 -0.89 -2.62 114.38 111.84 2gfu h ARG 178 Ca -0.02 -0.30 -0.09 0.00 0.10 0.00 0.00 59.98 59.67 2gfu h ARG 178 Cb 0.46 0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.58 2gfu h ARG 178 CO 0.03 0.92 -0.13 0.00 0.10 0.00 0.00 179.97 180.90 2gfu h ALA 179 N 1.00 1.00 -0.24 0.08 0.00 -1.05 -2.88 119.26 117.18 2gfu h ALA 179 Ca -0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2gfu h ALA 179 Cb 1.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2gfu h ALA 179 CO 0.11 0.60 0.14 0.22 0.00 0.00 0.00 179.25 180.32 2gfu h ASP 180 N 0.68 0.29 -0.04 0.00 3.58 -1.02 -1.77 116.42 118.15 2gfu h ASP 180 Ca 0.11 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 2gfu h ASP 180 Cb 0.60 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2gfu h ASP 180 CO 0.04 0.27 -0.20 1.05 -2.88 0.00 0.00 179.24 177.51 2gfu h GLU 181 N 0.29 0.42 0.00 0.28 4.11 -1.48 0.45 114.58 118.64 2gfu h GLU 181 Ca 0.08 -0.14 -0.13 0.00 0.07 0.00 0.00 59.36 59.24 2gfu h GLU 181 Cb 0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2gfu h GLU 181 CO -0.02 0.60 -0.64 0.00 0.07 0.00 0.00 179.01 179.03 2gfu h ALA 182 N 1.41 0.82 0.04 1.06 0.00 -1.46 -2.83 119.26 118.31 2gfu h ALA 182 Ca 0.06 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 2gfu h ALA 182 Cb 0.57 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2gfu h ALA 182 CO 0.04 0.80 -0.38 1.25 0.00 0.00 0.00 179.25 180.95 2gfu h LEU 183 N 0.00 0.27 -0.14 0.00 6.46 -1.24 -3.27 115.31 117.40 2gfu h LEU 183 Ca -0.01 -0.87 0.00 0.00 -0.12 0.00 0.00 57.88 56.88 2gfu h LEU 183 Cb 1.22 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 2gfu h LEU 183 CO 0.08 1.12 -0.41 -0.46 -0.62 0.00 0.00 178.44 178.16 2gfu n ASN 184 N -4.40 0.62 0.00 1.25 6.94 0.14 -4.83 115.26 114.98 2gfu n ASN 184 Ca -0.11 -0.40 0.00 0.00 -0.02 0.00 0.00 54.58 54.05 2gfu n ASN 184 Cb 0.60 0.18 0.00 0.00 -2.36 0.00 0.00 39.78 38.21 2gfu n ASN 184 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2gfu n LYS 185 N -1.26 0.00 -4.18 -3.83 5.02 -1.07 -5.04 118.16 107.80 2gfu n LYS 185 Ca 0.08 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.26 2gfu n LYS 185 Cb 0.34 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.25 2gfu n LYS 185 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2gfu s ASP 186 N 1.00 1.04 0.39 4.39 2.15 -1.23 -5.01 116.67 119.40 2gfu s ASP 186 Ca 0.00 -1.05 0.16 0.00 0.43 0.00 0.00 52.55 52.08 2gfu s ASP 186 Cb 0.00 0.12 1.03 0.00 -0.30 0.00 0.00 42.92 43.77 2gfu s ASP 186 CO 0.00 -0.52 1.82 0.11 -0.17 0.00 0.00 175.17 176.41 2gfu h LYS 187 N 2.92 0.46 -0.50 4.34 1.79 -1.92 -2.20 116.57 121.46 2gfu h LYS 187 Ca -0.35 -0.03 0.14 0.00 -2.18 0.00 0.00 60.65 58.23 2gfu h LYS 187 Cb 1.17 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 2gfu h LYS 187 CO 0.64 0.30 0.36 0.97 -1.08 0.00 0.00 179.45 180.64 2gfu h ILE 188 N 0.47 0.75 -0.08 1.86 2.10 -1.97 -0.43 117.51 120.22 2gfu h ILE 188 Ca 0.52 -0.00 -0.23 0.00 1.08 0.00 0.00 64.86 66.24 2gfu h ILE 188 Cb 1.22 0.75 0.01 0.00 -1.09 0.00 0.00 36.82 37.71 2gfu h ILE 188 CO -0.24 0.00 -0.84 0.11 -1.08 0.00 0.00 178.15 176.10 2gfu h LYS 189 N 0.00 0.70 -0.03 2.19 6.56 -1.74 -2.12 116.57 122.13 2gfu h LYS 189 Ca 0.24 -0.65 -0.18 0.00 -1.06 0.00 0.00 60.65 58.99 2gfu h LYS 189 Cb 0.95 0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.76 2gfu h LYS 189 CO -0.00 1.25 -0.78 0.07 -2.06 0.00 0.00 179.45 177.93 2gfu h ARG 190 N 0.39 0.25 0.00 3.15 0.11 -1.59 -3.26 114.38 113.42 2gfu h ARG 190 Ca -0.08 -0.23 0.00 0.00 0.10 0.00 0.00 59.98 59.77 2gfu h ARG 190 Cb 1.48 0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.62 2gfu h ARG 190 CO 0.17 0.91 -0.22 -0.07 0.10 0.00 0.00 179.97 180.85 2gfu h LEU 191 N 0.16 0.00 -0.74 0.08 3.38 -1.20 -2.76 115.31 114.22 2gfu h LEU 191 Ca -0.03 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.05 2gfu h LEU 191 Cb 1.36 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.03 2gfu h LEU 191 CO 0.12 0.00 0.35 -0.33 0.09 0.00 0.00 178.44 178.68 2gfu h GLU 192 N 0.00 0.55 0.00 1.13 4.39 -1.42 -3.17 114.58 116.06 2gfu h GLU 192 Ca 0.00 -0.03 -0.36 0.00 0.34 0.00 0.00 59.36 59.30 2gfu h GLU 192 Cb 0.97 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.43 2gfu h GLU 192 CO 0.00 0.36 -2.37 1.47 -1.16 0.00 0.00 179.01 177.31 2gfu n LEU 193 N -4.90 0.58 0.00 1.33 -0.00 -1.26 -4.98 117.00 107.77 2gfu n LEU 193 Ca 0.13 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 2gfu n LEU 193 Cb 0.33 0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 2gfu n LEU 193 CO 0.23 0.57 0.00 0.00 -0.00 0.00 0.00 177.39 178.19 2gfu n ALA 194 N -2.83 0.00 1.04 1.47 0.00 -1.04 -0.92 120.51 118.23 2gfu n ALA 194 Ca -0.35 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.23 2gfu n ALA 194 Cb 1.11 0.00 0.50 0.00 0.00 0.00 0.00 19.45 21.06 2gfu n ALA 194 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2gfu n VAL 195 N 0.00 0.00 0.00 0.00 3.14 -1.26 -4.94 118.33 115.27 2gfu n VAL 195 Ca 0.00 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2gfu n VAL 195 Cb 0.00 -0.23 0.00 0.00 -1.06 0.00 0.00 33.84 32.55 2gfu n VAL 195 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2gfu n SER 196 N -1.46 0.00 -4.16 6.55 7.64 -0.09 -4.59 113.62 117.51 2gfu n SER 196 Ca 0.07 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.52 2gfu n SER 196 Cb 0.33 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2gfu n SER 196 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2gfu n ASP 197 N 0.21 5.09 -1.96 6.43 2.03 -1.26 -4.44 116.55 122.65 2gfu n ASP 197 Ca 0.00 -3.03 -0.00 0.00 0.52 0.00 0.00 54.79 52.27 2gfu n ASP 197 Cb 0.00 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 38.86 2gfu n ASP 197 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2gfu n GLU 198 N 4.95 -0.42 -2.77 -0.67 2.13 -1.26 -5.08 120.64 117.52 2gfu n GLU 198 Ca 0.39 0.73 -0.30 0.00 0.66 0.00 0.00 57.16 58.65 2gfu n GLU 198 Cb 0.40 -2.76 -0.03 0.00 0.27 0.00 0.00 31.44 29.32 2gfu n GLU 198 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2gfu s PRO 199 N -3.05 3.76 -0.90 5.31 0.04 -1.26 -5.03 135.00 133.87 2gfu s PRO 199 Ca 0.02 0.48 -0.13 0.00 0.04 0.00 0.00 61.00 61.41 2gfu s PRO 199 Cb -0.00 -2.36 0.23 0.00 0.04 0.00 0.00 34.50 32.40 2gfu s PRO 199 CO 0.22 -0.08 0.86 -1.54 0.04 0.00 0.00 177.00 176.49 2gfu s SER 200 N -3.28 6.89 0.00 6.66 1.04 -1.26 -5.08 113.70 118.67 2gfu s SER 200 Ca 0.51 -2.88 0.00 0.00 0.48 0.00 0.00 55.95 54.07 2gfu s SER 200 Cb -0.10 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.80 2gfu s SER 200 CO 0.33 -0.53 0.00 1.21 0.98 0.00 0.00 173.24 175.24