#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 2.23 -4.08 7.82 0.00 -1.26 -5.04 120.51 120.19 2gfu n ALA 69 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.07 2gfu n ALA 69 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 2gfu n ALA 69 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2gfu s LYS 70 N -0.78 2.94 -0.22 0.00 2.20 -1.26 -5.12 119.74 117.50 2gfu s LYS 70 Ca 0.00 -0.87 -0.08 0.00 -0.36 0.00 0.00 55.97 54.66 2gfu s LYS 70 Cb 0.00 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.65 2gfu s LYS 70 CO 0.00 -0.24 0.09 0.54 -0.36 0.00 0.00 175.35 175.38 2gfu s ASN 71 N 1.28 5.60 0.00 1.43 2.20 -1.26 -4.83 114.94 119.36 2gfu s ASN 71 Ca 0.04 -0.00 0.00 0.00 -0.94 0.00 0.00 52.86 51.95 2gfu s ASN 71 Cb -0.14 -1.99 0.00 0.00 -2.00 0.00 0.00 41.25 37.12 2gfu s ASN 71 CO -0.12 0.08 0.00 0.18 -2.94 0.00 0.00 177.10 174.30 2gfu n LEU 72 N 4.18 0.00 -0.65 3.54 4.77 -1.26 -4.84 117.00 122.74 2gfu n LEU 72 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2gfu n LEU 72 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2gfu n LEU 72 CO 0.34 0.00 0.23 0.59 -1.33 0.00 0.00 177.39 177.22 2gfu n ASN 73 N 0.00 1.15 0.00 -1.43 4.13 -1.26 -4.61 115.26 113.23 2gfu n ASN 73 Ca 0.00 -1.45 0.00 0.00 1.68 0.00 0.00 54.58 54.81 2gfu n ASN 73 Cb 0.00 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 2gfu n ASN 73 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gfu n GLY 74 N 0.28 0.79 2.28 7.41 0.00 -1.26 -5.03 105.19 109.67 2gfu n GLY 74 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.67 2.63 0.09 -0.02 0.00 -1.26 -4.18 105.19 100.78 2gfu n GLY 75 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 2gfu n GLY 75 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gfu n LEU 76 N 3.08 0.77 0.21 0.99 7.94 -1.26 -3.62 117.00 125.11 2gfu n LEU 76 Ca 0.35 0.34 0.09 0.00 -1.11 0.00 0.00 56.01 55.68 2gfu n LEU 76 Cb 0.47 0.11 0.43 0.00 0.53 0.00 0.00 43.42 44.96 2gfu n LEU 76 CO 0.33 0.18 0.77 0.08 -1.11 0.00 0.00 177.39 177.65 2gfu h ARG 77 N 0.00 0.00 0.00 1.96 0.11 -2.00 0.68 114.38 115.13 2gfu h ARG 77 Ca -0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.89 2gfu h ARG 77 Cb 1.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.72 2gfu h ARG 77 CO 0.05 0.26 0.00 -2.13 0.10 0.00 0.00 179.97 178.25 2gfu n ARG 78 N -3.43 0.00 -3.20 0.08 0.63 -1.26 -4.93 116.66 104.54 2gfu n ARG 78 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2gfu n ARG 78 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 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 -1.78 0.00 -2.85 6.15 2.88 -1.24 -4.53 113.62 112.25 2gfu n SER 79 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2gfu n SER 79 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 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 1.84 0.49 -3.58 2.46 3.14 -1.26 -4.58 118.33 116.83 2gfu n VAL 80 Ca 0.00 -3.43 -0.40 0.00 -2.96 0.00 0.00 64.34 57.55 2gfu n VAL 80 Cb 0.00 0.40 -0.11 0.00 -1.06 0.00 0.00 33.84 33.07 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 -2.54 3.39 0.59 1.55 0.00 -1.26 -5.08 121.76 118.41 2gfu s ALA 81 Ca 0.31 -1.42 -0.08 0.00 0.00 0.00 0.00 51.96 50.77 2gfu s ALA 81 Cb 0.41 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.97 2gfu s ALA 81 CO -0.01 -0.99 0.93 -1.25 0.00 0.00 0.00 175.76 174.44 2gfu s PRO 82 N 1.66 3.16 0.00 0.00 0.04 -1.26 -5.11 135.00 133.50 2gfu s PRO 82 Ca 0.05 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.34 2gfu s PRO 82 Cb -0.17 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2gfu s PRO 82 CO 0.08 -0.62 0.00 0.00 0.04 0.00 0.00 177.00 176.50 2gfu n ALA 83 N -2.61 0.00 -2.99 8.56 0.00 -1.26 -5.09 120.51 117.12 2gfu n ALA 83 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 2gfu n ALA 83 Cb 0.56 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.26 3.20 -0.73 0.00 0.00 -1.26 -5.01 121.76 115.70 2gfu s ALA 84 Ca 0.00 -1.30 0.22 0.00 0.00 0.00 0.00 51.96 50.87 2gfu s ALA 84 Cb 0.00 -2.23 0.87 0.00 0.00 0.00 0.00 23.12 21.76 2gfu s ALA 84 CO 0.00 -0.75 1.67 -0.35 0.00 0.00 0.00 175.76 176.32 2gfu n PRO 85 N 4.94 0.12 0.08 0.00 -0.04 -1.26 -2.10 135.00 136.75 2gfu n PRO 85 Ca -0.15 0.29 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 2gfu n PRO 85 Cb 0.50 -1.71 -0.15 0.00 -0.04 0.00 0.00 33.50 32.10 2gfu n PRO 85 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2gfu h THR 86 N 0.00 1.00 0.00 0.52 1.35 -1.98 -3.48 112.91 110.31 2gfu h THR 86 Ca 0.00 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 2gfu h THR 86 Cb 0.40 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 2gfu h THR 86 CO 0.00 0.84 0.00 -1.20 -0.25 0.00 0.00 175.52 174.91 2gfu n SER 87 N -3.64 0.00 -3.19 5.36 7.64 -0.89 -4.41 113.62 114.49 2gfu n SER 87 Ca -0.24 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.41 2gfu n SER 87 Cb 1.07 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 64.20 2gfu n SER 87 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2gfu n SER 88 N 0.31 -0.11 -2.72 6.43 3.41 -1.26 -4.78 113.62 114.89 2gfu n SER 88 Ca 0.00 -2.68 -0.08 0.00 -0.26 0.00 0.00 58.87 55.85 2gfu n SER 88 Cb 0.00 -0.48 0.09 0.00 -0.26 0.00 0.00 64.21 63.56 2gfu n SER 88 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2gfu n ASP 89 N 1.62 -2.24 -4.23 4.04 2.03 -1.26 -4.85 116.55 111.65 2gfu n ASP 89 Ca 0.21 -3.30 -0.33 0.00 0.52 0.00 0.00 54.79 51.90 2gfu n ASP 89 Cb 0.53 1.76 -0.16 0.00 -0.72 0.00 0.00 41.12 42.53 2gfu n ASP 89 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2gfu s PHE 90 N 0.31 2.72 0.36 -0.67 0.40 -1.26 -5.09 117.98 114.74 2gfu s PHE 90 Ca 0.24 -1.15 0.08 0.00 -0.60 0.00 0.00 56.93 55.50 2gfu s PHE 90 Cb 0.28 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 2gfu s PHE 90 CO -0.11 -0.52 0.16 -1.54 0.70 0.00 0.00 175.22 173.92 2gfu s SER 91 N 0.76 4.66 0.59 1.36 1.04 -1.26 -4.97 113.70 115.88 2gfu s SER 91 Ca -0.07 -0.82 -0.19 0.00 0.48 0.00 0.00 55.95 55.34 2gfu s SER 91 Cb -0.16 -0.67 -0.05 0.00 0.10 0.00 0.00 66.02 65.24 2gfu s SER 91 CO 0.00 -0.36 0.94 -2.65 0.98 0.00 0.00 173.24 172.15 2gfu n PRO 92 N -1.19 0.91 0.00 4.02 -0.02 -1.26 -4.11 135.00 133.36 2gfu n PRO 92 Ca -0.02 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2gfu n PRO 92 Cb 0.62 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.31 2.97 3.91 -1.23 0.00 -0.77 -4.97 105.19 106.40 2gfu n GLY 93 Ca 0.13 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 2gfu n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gfu s ASP 94 N -0.02 4.75 -0.09 1.61 2.15 -1.26 -4.82 116.67 118.99 2gfu s ASP 94 Ca 0.00 0.75 -0.14 0.00 0.43 0.00 0.00 52.55 53.59 2gfu s ASP 94 Cb 0.00 -1.34 -0.05 0.00 -0.30 0.00 0.00 42.92 41.23 2gfu s ASP 94 CO 0.00 -1.72 0.35 -0.76 -0.17 0.00 0.00 175.17 172.86 2gfu s LEU 95 N -5.45 4.34 0.09 -1.34 2.01 -1.26 -0.84 118.68 116.24 2gfu s LEU 95 Ca 0.61 0.71 0.02 0.00 0.01 0.00 0.00 54.13 55.47 2gfu s LEU 95 Cb -0.11 -2.47 -0.04 0.00 0.01 0.00 0.00 46.19 43.58 2gfu s LEU 95 CO 0.48 0.19 -0.06 0.68 1.01 0.00 0.00 176.35 178.65 2gfu s VAL 96 N -0.18 0.65 -0.30 -1.59 -7.23 -0.17 -2.16 120.40 109.42 2gfu s VAL 96 Ca 0.20 -1.86 -0.09 0.00 -1.81 0.00 0.00 61.98 58.42 2gfu s VAL 96 Cb -0.14 -1.59 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 2gfu s VAL 96 CO 0.08 -0.84 0.14 0.26 -0.31 0.00 0.00 175.10 174.43 2gfu s TRP 97 N -3.47 3.17 -0.10 2.82 0.52 0.13 -0.73 118.94 121.28 2gfu s TRP 97 Ca 0.10 -0.48 0.01 0.00 0.02 0.00 0.00 56.10 55.75 2gfu s TRP 97 Cb 0.04 -2.34 -0.02 0.00 -1.15 0.00 0.00 33.47 30.00 2gfu s TRP 97 CO -0.05 -0.41 -0.11 0.00 0.02 0.00 0.00 176.95 176.40 2gfu s ALA 98 N 1.63 2.76 -0.03 0.98 0.00 0.14 -0.59 121.76 126.66 2gfu s ALA 98 Ca 0.05 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2gfu s ALA 98 Cb -0.17 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 2gfu s ALA 98 CO 0.06 0.41 -0.12 0.21 0.00 0.00 0.00 175.76 176.32 2gfu s LYS 99 N -0.22 2.50 0.08 0.00 2.47 -0.81 -2.25 119.74 121.51 2gfu s LYS 99 Ca 0.02 -0.72 0.06 0.00 -1.56 0.00 0.00 55.97 53.77 2gfu s LYS 99 Cb -0.13 -2.42 -0.03 0.00 -1.46 0.00 0.00 37.83 33.79 2gfu s LYS 99 CO 0.03 0.61 -0.16 1.41 0.16 0.00 0.00 175.35 177.40 2gfu s MET 100 N -1.03 0.93 -0.55 4.03 -2.45 -1.26 -4.85 119.30 114.12 2gfu s MET 100 Ca 0.14 -1.01 -0.26 0.00 -1.25 0.00 0.00 55.69 53.30 2gfu s MET 100 Cb -0.11 -1.02 -0.04 0.00 1.25 0.00 0.00 34.83 34.91 2gfu s MET 100 CO 0.03 0.23 2.12 -2.00 1.05 0.00 0.00 175.02 176.46 2gfu s GLU 101 N -1.76 2.38 0.00 4.11 2.12 -1.26 -1.68 118.70 122.61 2gfu s GLU 101 Ca 0.01 1.00 0.00 0.00 0.36 0.00 0.00 54.97 56.34 2gfu s GLU 101 Cb -0.10 -4.48 0.00 0.00 0.26 0.00 0.00 34.13 29.81 2gfu s GLU 101 CO 0.03 -2.99 0.00 0.41 -0.54 0.00 0.00 175.26 172.17 2gfu n GLY 102 N 5.84 0.89 3.68 -1.50 0.00 -1.26 -5.12 105.19 107.73 2gfu n GLY 102 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.07 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 2.74 0.92 1.61 1.51 -0.68 -5.16 117.35 116.30 2gfu s TYR 103 Ca 0.00 -0.25 -0.12 0.00 -1.01 0.00 0.00 57.07 55.69 2gfu s TYR 103 Cb 0.00 -1.32 0.14 0.00 -0.11 0.00 0.00 41.96 40.67 2gfu s TYR 103 CO 0.00 0.54 1.10 -1.25 -1.11 0.00 0.00 175.55 174.84 2gfu s PRO 104 N -3.73 1.04 0.21 -1.71 0.04 -1.26 -4.60 135.00 124.99 2gfu s PRO 104 Ca 0.33 0.59 -0.31 0.00 0.04 0.00 0.00 61.00 61.65 2gfu s PRO 104 Cb -0.06 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 2gfu s PRO 104 CO 0.21 -2.33 1.48 -1.58 0.04 0.00 0.00 177.00 174.82 2gfu s TRP 105 N -3.04 3.06 -0.02 0.56 0.52 -1.26 -4.51 118.94 114.24 2gfu s TRP 105 Ca 0.64 0.88 0.01 0.00 0.02 0.00 0.00 56.10 57.65 2gfu s TRP 105 Cb -0.17 -3.84 0.01 0.00 -1.15 0.00 0.00 33.47 28.32 2gfu s TRP 105 CO 0.56 -2.90 -0.05 -1.58 0.02 0.00 0.00 176.95 173.00 2gfu s TRP 106 N 0.50 0.64 0.36 -1.98 0.23 -0.95 -4.86 118.94 112.88 2gfu s TRP 106 Ca 0.64 -0.15 -0.26 0.00 -2.03 0.00 0.00 56.10 54.30 2gfu s TRP 106 Cb -0.42 -0.51 -0.09 0.00 0.03 0.00 0.00 33.47 32.48 2gfu s TRP 106 CO 0.38 -0.10 1.14 -2.14 0.96 0.00 0.00 176.95 177.18 2gfu s PRO 107 N 0.41 4.25 0.21 4.98 0.02 -1.26 -0.68 135.00 142.93 2gfu s PRO 107 Ca -0.05 1.79 -0.19 0.00 0.02 0.00 0.00 61.00 62.57 2gfu s PRO 107 Cb -0.09 -2.81 0.03 0.00 0.02 0.00 0.00 34.50 31.65 2gfu s PRO 107 CO -0.00 -0.14 0.57 -1.54 -0.33 0.00 0.00 177.00 175.56 2gfu s SER 108 N -1.11 -0.29 -0.03 2.53 1.04 0.09 -3.58 113.70 112.35 2gfu s SER 108 Ca 0.53 -0.47 0.07 0.00 0.48 0.00 0.00 55.95 56.56 2gfu s SER 108 Cb -0.30 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 2gfu s SER 108 CO 0.38 -1.10 -0.25 -0.22 0.98 0.00 0.00 173.24 173.03 2gfu s LEU 109 N -2.88 2.12 -0.18 2.42 2.96 -0.82 -1.00 118.68 121.30 2gfu s LEU 109 Ca 0.09 -0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 53.25 2gfu s LEU 109 Cb -0.02 -1.37 -0.00 0.00 0.50 0.00 0.00 46.19 45.30 2gfu s LEU 109 CO -0.02 0.30 1.06 -0.69 -1.32 0.00 0.00 176.35 175.68 2gfu s VAL 110 N -0.48 4.65 0.12 1.68 1.01 -0.02 -1.27 120.40 126.10 2gfu s VAL 110 Ca 0.06 1.97 0.07 0.00 0.00 0.00 0.00 61.98 64.07 2gfu s VAL 110 Cb -0.11 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2gfu s VAL 110 CO 0.01 -0.11 -0.17 -0.47 0.00 0.00 0.00 175.10 174.35 2gfu s TYR 111 N 2.82 1.58 -0.31 5.22 5.04 -0.94 -1.85 117.35 128.91 2gfu s TYR 111 Ca 0.47 -0.48 -0.07 0.00 -2.44 0.00 0.00 57.07 54.54 2gfu s TYR 111 Cb -0.17 -0.83 0.01 0.00 0.35 0.00 0.00 41.96 41.32 2gfu s TYR 111 CO 0.11 0.19 0.10 0.54 -1.34 0.00 0.00 175.55 175.16 2gfu s ASN 112 N -2.24 5.26 0.88 4.32 4.22 -1.26 -4.34 114.94 121.79 2gfu s ASN 112 Ca 0.08 -0.80 -0.10 0.00 -2.14 0.00 0.00 52.86 49.90 2gfu s ASN 112 Cb -0.07 -1.90 0.13 0.00 1.28 0.00 0.00 41.25 40.68 2gfu s ASN 112 CO 0.04 -0.23 1.13 -1.00 -2.04 0.00 0.00 177.10 175.00 2gfu s HIS 113 N 1.50 1.83 -1.47 1.54 3.76 -1.26 -4.85 115.29 116.35 2gfu s HIS 113 Ca 0.02 1.74 0.00 0.00 -0.15 0.00 0.00 55.06 56.67 2gfu s HIS 113 Cb -0.18 -3.28 0.00 0.00 1.11 0.00 0.00 32.58 30.23 2gfu s HIS 113 CO 0.03 -2.58 0.47 -2.30 -0.85 0.00 0.00 174.74 169.51 2gfu n PRO 114 N -4.07 0.00 -1.04 8.40 -0.02 -1.26 -0.50 135.00 136.51 2gfu n PRO 114 Ca 0.11 0.06 -0.13 0.00 -2.02 0.00 0.00 63.50 61.51 2gfu n PRO 114 Cb 0.52 -1.51 0.18 0.00 -0.02 0.00 0.00 33.50 32.66 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 -0.97 1.90 -2.22 6.00 3.72 -1.26 -5.09 117.46 119.55 2gfu n PHE 115 Ca 0.00 -1.82 -0.35 0.00 -0.05 0.00 0.00 57.45 55.23 2gfu n PHE 115 Cb 0.01 -0.69 0.01 0.00 -0.94 0.00 0.00 39.48 37.87 2gfu n PHE 115 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2gfu s ASP 116 N -2.20 5.66 0.00 4.37 1.47 0.35 -4.14 116.67 122.18 2gfu s ASP 116 Ca 0.50 2.18 0.00 0.00 1.18 0.00 0.00 52.55 56.41 2gfu s ASP 116 Cb 0.44 -2.58 0.00 0.00 -0.34 0.00 0.00 42.92 40.44 2gfu s ASP 116 CO 0.03 -1.26 0.00 0.61 0.68 0.00 0.00 175.17 175.23 2gfu n GLY 117 N 0.14 1.01 3.33 2.12 0.00 -1.26 -5.07 105.19 105.46 2gfu n GLY 117 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2gfu n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gfu s THR 118 N -2.00 -0.01 0.00 2.61 2.01 -1.26 -5.09 115.64 111.90 2gfu s THR 118 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2gfu s THR 118 Cb 0.00 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.87 2gfu s THR 118 CO 0.00 0.02 0.00 2.22 -0.69 0.00 0.00 174.62 176.17 2gfu n PHE 119 N 3.51 0.00 -4.45 4.92 1.16 -1.26 -4.85 117.46 116.49 2gfu n PHE 119 Ca -0.18 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.06 2gfu n PHE 119 Cb 0.56 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.33 2gfu n PHE 119 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 2gfu s ILE 120 N -1.00 4.08 -0.17 1.97 2.07 -1.26 -3.59 121.20 123.30 2gfu s ILE 120 Ca 0.00 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 58.89 2gfu s ILE 120 Cb 0.00 -2.71 0.02 0.00 0.13 0.00 0.00 42.46 39.90 2gfu s ILE 120 CO 0.00 0.58 -0.20 -0.60 -1.91 0.00 0.00 174.94 172.81 2gfu s ARG 121 N -0.93 3.00 0.57 3.50 6.06 -0.81 -5.04 118.95 125.31 2gfu s ARG 121 Ca 0.14 -0.83 0.07 0.00 -2.50 0.00 0.00 55.73 52.60 2gfu s ARG 121 Cb -0.11 -2.54 0.07 0.00 0.06 0.00 0.00 34.95 32.42 2gfu s ARG 121 CO 0.03 -0.16 0.58 -1.83 -2.50 0.00 0.00 175.30 171.42 2gfu s GLU 122 N 1.17 2.24 0.10 5.12 1.03 -1.26 -1.94 118.70 125.16 2gfu s GLU 122 Ca 0.02 -1.92 -0.36 0.00 0.03 0.00 0.00 54.97 52.74 2gfu s GLU 122 Cb -0.14 -2.31 -0.17 0.00 -0.80 0.00 0.00 34.13 30.72 2gfu s GLU 122 CO -0.10 -0.78 1.20 1.63 -1.33 0.00 0.00 175.26 175.88 2gfu n LYS 123 N -2.01 0.88 0.00 -4.83 4.76 -1.23 -4.64 118.16 111.09 2gfu n LYS 123 Ca 0.06 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 2gfu n LYS 123 Cb 0.63 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 2gfu n LYS 123 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gfu n GLY 124 N 2.15 -0.02 0.29 0.72 0.00 -1.26 -4.93 105.19 102.14 2gfu n GLY 124 Ca 0.18 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 2gfu n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gfu n LYS 125 N 0.00 0.47 -1.03 1.61 4.76 -1.26 -5.12 118.16 117.59 2gfu n LYS 125 Ca 0.00 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 2gfu n LYS 125 Cb 0.00 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 2gfu n LYS 125 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2gfu n SER 126 N -4.09 0.00 -3.92 4.39 2.88 -1.26 -5.16 113.62 106.45 2gfu n SER 126 Ca -0.35 -0.65 -0.27 0.00 -1.33 0.00 0.00 58.87 56.27 2gfu n SER 126 Cb 0.71 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.00 2gfu n SER 126 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2gfu s VAL 127 N -2.42 1.07 -0.01 2.46 0.11 -1.26 -3.51 120.40 116.84 2gfu s VAL 127 Ca 0.00 -0.32 0.04 0.00 -2.93 0.00 0.00 61.98 58.76 2gfu s VAL 127 Cb 0.00 -1.07 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 2gfu s VAL 127 CO 0.00 0.37 -0.13 -0.13 -3.33 0.00 0.00 175.10 171.89 2gfu s ARG 128 N 1.62 1.06 0.15 1.54 0.52 -0.82 -1.54 118.95 121.50 2gfu s ARG 128 Ca 0.04 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 2gfu s ARG 128 Cb -0.13 -1.02 -0.04 0.00 0.52 0.00 0.00 34.95 34.28 2gfu s ARG 128 CO -0.08 0.26 -0.02 0.14 0.02 0.00 0.00 175.30 175.63 2gfu s VAL 129 N -0.24 0.70 0.20 3.52 -7.23 -1.09 -1.92 120.40 114.33 2gfu s VAL 129 Ca 0.04 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 57.98 2gfu s VAL 129 Cb -0.06 -2.01 -0.08 0.00 0.56 0.00 0.00 36.38 34.79 2gfu s VAL 129 CO -0.00 -0.57 0.81 -1.00 -0.31 0.00 0.00 175.10 174.02 2gfu s HIS 130 N -3.64 3.87 0.27 2.82 0.09 -1.24 -1.61 115.29 115.85 2gfu s HIS 130 Ca 0.21 1.66 -0.11 0.00 -0.00 0.00 0.00 55.06 56.82 2gfu s HIS 130 Cb 0.06 -2.79 -0.00 0.00 -0.00 0.00 0.00 32.58 29.84 2gfu s HIS 130 CO 0.02 0.46 0.48 0.14 -0.00 0.00 0.00 174.74 175.84 2gfu s VAL 131 N -1.24 0.00 0.02 -0.90 -7.23 -1.23 -2.22 120.40 107.60 2gfu s VAL 131 Ca 0.39 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 59.12 2gfu s VAL 131 Cb -0.22 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 2gfu s VAL 131 CO 0.26 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 174.99 2gfu s GLN 132 N -3.76 0.44 -0.19 4.82 -2.07 -0.40 -3.67 119.66 114.84 2gfu s GLN 132 Ca 0.24 -0.55 -0.03 0.00 -1.82 0.00 0.00 55.36 53.21 2gfu s GLN 132 Cb -0.00 -0.26 -0.01 0.00 -1.09 0.00 0.00 33.01 31.64 2gfu s GLN 132 CO 0.11 0.05 -0.06 -0.06 -1.32 0.00 0.00 175.29 174.02 2gfu s PHE 133 N -0.98 2.95 -0.63 9.60 0.40 0.06 -1.95 117.98 127.43 2gfu s PHE 133 Ca -0.07 -0.70 -0.05 0.00 -0.60 0.00 0.00 56.93 55.51 2gfu s PHE 133 Cb -0.07 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 2gfu s PHE 133 CO 0.00 -0.35 1.76 1.19 0.70 0.00 0.00 175.22 178.53 2gfu n PHE 134 N 4.23 0.95 0.00 0.36 3.72 -1.23 -2.44 117.46 123.04 2gfu n PHE 134 Ca -0.18 -1.50 0.00 0.00 -0.05 0.00 0.00 57.45 55.72 2gfu n PHE 134 Cb 0.52 -1.34 0.00 0.00 -0.94 0.00 0.00 39.48 37.72 2gfu n PHE 134 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2gfu n ASP 135 N 4.57 0.00 -0.08 4.37 9.92 -1.26 -4.72 116.55 129.35 2gfu n ASP 135 Ca 0.31 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.40 2gfu n ASP 135 Cb 0.10 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.52 2gfu n ASP 135 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2gfu n ASP 136 N 0.00 1.43 -0.12 -2.24 2.03 -1.26 -4.86 116.55 111.54 2gfu n ASP 136 Ca 0.00 0.24 -0.13 0.00 0.52 0.00 0.00 54.79 55.42 2gfu n ASP 136 Cb 0.00 -0.58 -0.03 0.00 -0.72 0.00 0.00 41.12 39.80 2gfu n ASP 136 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2gfu h SER 137 N -0.69 0.98 -3.93 1.67 0.02 -1.98 -3.47 113.55 106.15 2gfu h SER 137 Ca -0.36 -0.47 -0.44 0.00 -0.84 0.00 0.00 61.79 59.68 2gfu h SER 137 Cb 1.24 -0.28 0.17 0.00 0.14 0.00 0.00 62.40 63.67 2gfu h SER 137 CO -0.22 1.24 0.37 -2.16 -1.14 0.00 0.00 176.83 174.93 2gfu s PRO 138 N -4.39 0.29 -0.34 3.45 0.04 -1.26 -5.07 135.00 127.72 2gfu s PRO 138 Ca -0.11 -0.35 -0.21 0.00 0.04 0.00 0.00 61.00 60.37 2gfu s PRO 138 Cb 0.11 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.85 2gfu s PRO 138 CO 0.88 -2.66 0.68 0.99 0.04 0.00 0.00 177.00 176.92 2gfu s THR 139 N -3.73 4.87 -0.00 1.26 2.01 -1.02 -4.95 115.64 114.07 2gfu s THR 139 Ca 0.73 0.77 -0.14 0.00 0.31 0.00 0.00 61.69 63.37 2gfu s THR 139 Cb -0.05 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.40 2gfu s THR 139 CO 0.54 -0.28 0.29 -0.60 -0.69 0.00 0.00 174.62 173.87 2gfu s ARG 140 N 2.77 0.67 0.00 4.92 3.52 -1.26 -0.76 118.95 128.81 2gfu s ARG 140 Ca 0.27 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 2gfu s ARG 140 Cb -0.14 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 2gfu s ARG 140 CO 0.14 -0.19 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 2gfu n GLY 141 N 1.15 -0.53 3.60 8.12 0.00 -1.24 -5.07 105.19 111.22 2gfu n GLY 141 Ca -0.21 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.29 2.82 0.46 1.61 0.52 -1.26 -3.55 118.94 116.25 2gfu s TRP 142 Ca 0.00 0.71 0.05 0.00 0.02 0.00 0.00 56.10 56.88 2gfu s TRP 142 Cb 0.00 -4.41 0.02 0.00 -1.15 0.00 0.00 33.47 27.93 2gfu s TRP 142 CO 0.00 -1.26 0.64 0.14 0.02 0.00 0.00 176.95 176.49 2gfu s VAL 143 N 4.42 3.03 -0.34 4.03 -7.23 -0.64 -4.93 120.40 118.74 2gfu s VAL 143 Ca 0.47 -0.85 -0.21 0.00 -1.81 0.00 0.00 61.98 59.59 2gfu s VAL 143 Cb -0.07 -3.06 -0.00 0.00 0.56 0.00 0.00 36.38 33.80 2gfu s VAL 143 CO 0.31 -0.03 0.65 -0.44 -0.31 0.00 0.00 175.10 175.28 2gfu s SER 144 N -4.35 6.47 0.00 4.85 0.01 -1.26 -2.67 113.70 116.74 2gfu s SER 144 Ca 0.55 0.28 0.14 0.00 1.31 0.00 0.00 55.95 58.22 2gfu s SER 144 Cb -0.10 -2.34 0.71 0.00 0.21 0.00 0.00 66.02 64.50 2gfu s SER 144 CO 0.35 -0.57 1.37 2.29 0.41 0.00 0.00 173.24 177.10 2gfu n LYS 145 N 6.02 0.20 0.05 12.44 2.85 -0.59 -2.35 118.16 136.80 2gfu n LYS 145 Ca -0.01 0.15 0.13 0.00 -1.05 0.00 0.00 58.31 57.54 2gfu n LYS 145 Cb 0.49 -1.50 0.43 0.00 -0.65 0.00 0.00 35.03 33.80 2gfu n LYS 145 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2gfu n ARG 146 N -1.28 0.16 0.00 -1.58 0.63 -1.26 -2.70 116.66 110.63 2gfu n ARG 146 Ca 0.07 0.11 0.12 0.00 -0.92 0.00 0.00 57.85 57.23 2gfu n ARG 146 Cb 0.11 -1.66 0.18 0.00 0.45 0.00 0.00 32.46 31.54 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 -1.92 2.55 -4.54 6.15 4.32 -0.99 -4.81 117.00 117.76 2gfu n LEU 147 Ca 0.06 -0.86 -0.36 0.00 -0.02 0.00 0.00 56.01 54.84 2gfu n LEU 147 Cb 0.39 -0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.08 2gfu n LEU 147 CO 0.30 0.43 -0.27 -0.76 -1.22 0.00 0.00 177.39 175.88 2gfu s LEU 148 N -2.06 3.62 0.39 2.23 1.43 -1.10 -1.92 118.68 121.28 2gfu s LEU 148 Ca 0.29 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2gfu s LEU 148 Cb 0.20 -1.94 -0.07 0.00 0.03 0.00 0.00 46.19 44.40 2gfu s LEU 148 CO 0.34 0.07 0.01 -0.54 0.23 0.00 0.00 176.35 176.46 2gfu s LYS 149 N 1.00 1.97 0.45 1.70 1.02 0.24 -4.77 119.74 121.35 2gfu s LYS 149 Ca 0.04 -2.01 -0.15 0.00 0.02 0.00 0.00 55.97 53.86 2gfu s LYS 149 Cb -0.14 -1.72 -0.08 0.00 -0.52 0.00 0.00 37.83 35.37 2gfu s LYS 149 CO 0.03 -0.00 0.89 -1.25 -0.92 0.00 0.00 175.35 174.10 2gfu s PRO 150 N -3.71 3.95 -0.12 -1.68 0.04 -1.26 -0.69 135.00 131.53 2gfu s PRO 150 Ca 0.35 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2gfu s PRO 150 Cb 0.07 -2.25 0.02 0.00 0.04 0.00 0.00 34.50 32.38 2gfu s PRO 150 CO 0.18 -0.11 -0.11 -0.47 0.04 0.00 0.00 177.00 176.54 2gfu s TYR 151 N -2.40 1.73 -0.02 0.56 5.04 -0.92 -4.64 117.35 116.70 2gfu s TYR 151 Ca 0.57 -0.89 0.01 0.00 -2.44 0.00 0.00 57.07 54.32 2gfu s TYR 151 Cb -0.10 -1.35 0.02 0.00 0.35 0.00 0.00 41.96 40.89 2gfu s TYR 151 CO 0.26 -0.54 0.93 -2.37 -1.34 0.00 0.00 175.55 172.49 2gfu n THR 152 N 4.75 0.00 -2.75 4.34 5.66 -1.26 -4.70 114.28 120.32 2gfu n THR 152 Ca -0.15 -0.06 -0.02 0.00 -3.05 0.00 0.00 64.05 60.76 2gfu n THR 152 Cb 0.50 0.48 0.02 0.00 -1.55 0.00 0.00 70.33 69.78 2gfu n THR 152 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2gfu s GLY 153 N -0.90 -1.65 0.01 1.09 0.00 -1.26 -4.99 107.32 99.61 2gfu s GLY 153 Ca 0.01 0.40 0.12 0.00 0.00 0.00 0.00 44.72 45.25 2gfu s GLY 153 CO -0.01 4.10 1.40 -1.14 0.00 0.00 0.00 173.10 177.45 2gfu n SER 154 N 2.96 0.02 -1.42 1.64 3.41 -1.26 -2.29 113.62 116.67 2gfu n SER 154 Ca 0.12 0.50 -0.10 0.00 -0.26 0.00 0.00 58.87 59.13 2gfu n SER 154 Cb 0.62 -0.51 0.17 0.00 -0.26 0.00 0.00 64.21 64.23 2gfu n SER 154 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2gfu n LYS 155 N -1.52 2.13 -4.00 4.33 2.85 -1.26 -4.50 118.16 116.19 2gfu n LYS 155 Ca 0.03 -3.32 -0.35 0.00 -1.05 0.00 0.00 58.31 53.62 2gfu n LYS 155 Cb 0.14 -1.93 -0.09 0.00 -0.65 0.00 0.00 35.03 32.51 2gfu n LYS 155 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2gfu s SER 156 N -2.56 5.79 0.45 -5.58 0.15 -0.97 -5.04 113.70 105.94 2gfu s SER 156 Ca 0.48 0.18 0.16 0.00 0.70 0.00 0.00 55.95 57.47 2gfu s SER 156 Cb 0.42 -1.93 1.10 0.00 -1.71 0.00 0.00 66.02 63.91 2gfu s SER 156 CO 0.00 0.25 1.97 0.50 1.20 0.00 0.00 173.24 177.17 2gfu h LYS 157 N 6.13 0.32 0.00 5.44 3.64 -1.92 0.31 116.57 130.49 2gfu h LYS 157 Ca -0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2gfu h LYS 157 Cb 1.18 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2gfu h LYS 157 CO 0.66 0.21 0.00 0.93 -2.27 0.00 0.00 179.45 178.99 2gfu h GLU 158 N 0.33 0.00 -0.21 1.90 4.39 -1.91 -3.06 114.58 116.03 2gfu h GLU 158 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2gfu h GLU 158 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2gfu h GLU 158 CO -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.78 2gfu n ALA 159 N -2.04 2.48 -3.80 3.43 0.00 0.11 -2.75 120.51 117.94 2gfu n ALA 159 Ca 0.01 -0.72 -0.09 0.00 0.00 0.00 0.00 53.44 52.64 2gfu n ALA 159 Cb 0.31 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 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 0.94 0.83 -1.81 0.00 -0.00 -1.16 -4.84 117.38 111.33 2gfu n GLN 160 Ca 0.17 -1.11 -0.42 0.00 -0.00 0.00 0.00 57.00 55.64 2gfu n GLN 160 Cb 0.49 0.60 -0.03 0.00 -0.00 0.00 0.00 30.24 31.30 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 4.16 0.00 2.61 2.47 -1.26 -0.83 119.74 124.39 2gfu s LYS 161 Ca 0.07 2.45 0.00 0.00 -1.56 0.00 0.00 55.97 56.93 2gfu s LYS 161 Cb 0.00 -3.88 0.00 0.00 -1.46 0.00 0.00 37.83 32.49 2gfu s LYS 161 CO 0.05 -0.86 0.00 0.41 0.16 0.00 0.00 175.35 175.11 2gfu n GLY 162 N 4.26 0.47 3.82 5.54 0.00 -1.26 -5.06 105.19 112.97 2gfu n GLY 162 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.83 2.54 0.21 -0.02 0.00 -0.01 -4.92 107.32 103.29 2gfu s GLY 163 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 44.72 44.79 2gfu s GLY 163 CO 0.00 0.48 1.87 0.84 0.00 0.00 0.00 173.10 176.29 2gfu h HIS 164 N 3.03 0.98 -0.24 1.90 2.76 -1.79 -3.19 115.15 118.59 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 1.19 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.82 2gfu h HIS 164 CO 0.63 0.64 0.00 1.97 -1.30 0.00 0.00 177.93 179.86 2gfu n PHE 165 N -4.53 0.29 -3.42 5.26 1.16 -1.11 -4.92 117.46 110.20 2gfu n PHE 165 Ca 0.07 -0.15 -0.38 0.00 -1.87 0.00 0.00 57.45 55.13 2gfu n PHE 165 Cb 0.03 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.84 2gfu n PHE 165 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2gfu s TYR 166 N -1.71 3.73 -0.29 2.97 6.14 -1.20 -4.45 117.35 122.56 2gfu s TYR 166 Ca 0.34 1.08 -0.18 0.00 0.64 0.00 0.00 57.07 58.95 2gfu s TYR 166 Cb 0.22 -2.35 0.12 0.00 0.42 0.00 0.00 41.96 40.37 2gfu s TYR 166 CO 0.31 0.60 0.91 -1.12 0.64 0.00 0.00 175.55 176.89 2gfu s SER 167 N -1.20 -0.60 -0.51 4.32 0.01 -1.26 -4.84 113.70 109.62 2gfu s SER 167 Ca 0.27 1.00 -0.14 0.00 1.31 0.00 0.00 55.95 58.40 2gfu s SER 167 Cb -0.17 1.19 0.12 0.00 0.21 0.00 0.00 66.02 67.37 2gfu s SER 167 CO 0.16 -0.16 0.45 0.00 0.41 0.00 0.00 173.24 174.09 2gfu s ALA 168 N 1.14 3.57 -0.09 1.44 0.00 -1.26 -4.53 121.76 122.04 2gfu s ALA 168 Ca -0.06 -2.50 0.04 0.00 0.00 0.00 0.00 51.96 49.44 2gfu s ALA 168 Cb -0.04 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 2gfu s ALA 168 CO -0.14 -1.96 -0.24 0.21 0.00 0.00 0.00 175.76 173.64 2gfu s LYS 169 N 1.54 2.82 0.60 0.00 2.47 -1.26 -5.06 119.74 120.84 2gfu s LYS 169 Ca 0.04 -0.86 0.30 0.00 -1.56 0.00 0.00 55.97 53.89 2gfu s LYS 169 Cb -0.28 -2.20 1.76 0.00 -1.46 0.00 0.00 37.83 35.65 2gfu s LYS 169 CO 0.02 0.23 2.15 -1.00 0.16 0.00 0.00 175.35 176.91 2gfu h PRO 170 N 6.54 0.00 -0.23 4.03 0.13 -1.99 -1.81 132.00 138.67 2gfu h PRO 170 Ca -0.23 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.76 2gfu h PRO 170 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2gfu h PRO 170 CO 0.47 0.00 -0.42 1.05 -0.23 0.00 0.00 178.00 178.88 2gfu h GLU 171 N 0.00 0.56 -0.07 0.86 4.11 -1.96 0.17 114.58 118.25 2gfu h GLU 171 Ca 0.06 -0.29 -0.20 0.00 0.07 0.00 0.00 59.36 58.99 2gfu h GLU 171 Cb 0.35 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2gfu h GLU 171 CO -0.00 0.88 -0.80 0.82 0.07 0.00 0.00 179.01 179.98 2gfu h ILE 172 N 0.46 1.36 -0.19 -1.06 2.04 -1.63 -1.76 117.51 116.73 2gfu h ILE 172 Ca 0.04 -2.19 -0.06 0.00 1.00 0.00 0.00 64.86 63.64 2gfu h ILE 172 Cb 0.92 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2gfu h ILE 172 CO 0.08 0.66 -0.13 -0.07 0.00 0.00 0.00 178.15 178.69 2gfu h LEU 173 N 0.31 0.45 -0.72 1.44 3.38 -1.46 -2.63 115.31 116.08 2gfu h LEU 173 Ca -0.05 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.52 2gfu h LEU 173 Cb 1.40 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 2gfu h LEU 173 CO 0.14 0.79 0.44 -0.09 0.09 0.00 0.00 178.44 179.82 2gfu h ARG 174 N 0.10 0.82 -0.47 1.13 1.12 -0.68 -1.34 114.38 115.06 2gfu h ARG 174 Ca 0.04 -0.05 -0.07 0.00 -1.11 0.00 0.00 59.98 58.79 2gfu h ARG 174 Cb 0.64 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.40 2gfu h ARG 174 CO 0.04 0.54 -0.01 0.00 -3.11 0.00 0.00 179.97 177.43 2gfu h ALA 175 N 1.32 1.11 -0.38 2.80 0.00 -1.39 0.22 119.26 122.94 2gfu h ALA 175 Ca 0.30 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2gfu h ALA 175 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2gfu h ALA 175 CO -0.13 0.57 -0.04 0.52 0.00 0.00 0.00 179.25 180.16 2gfu h MET 176 N 0.72 0.62 -0.12 0.00 2.86 -1.04 0.23 114.93 118.22 2gfu h MET 176 Ca 0.14 -0.16 -0.23 0.00 -2.06 0.00 0.00 59.70 57.39 2gfu h MET 176 Cb 0.46 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.06 2gfu h MET 176 CO 0.02 0.68 -0.83 1.96 1.06 0.00 0.00 176.91 179.80 2gfu h GLN 177 N 0.59 0.77 -0.01 1.72 4.20 -0.20 -0.05 115.11 122.13 2gfu h GLN 177 Ca 0.12 -0.67 -0.01 0.00 0.06 0.00 0.00 58.65 58.14 2gfu h GLN 177 Cb 0.44 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2gfu h GLN 177 CO 0.02 1.27 -0.04 -0.09 -0.67 0.00 0.00 178.83 179.32 2gfu h ARG 178 N 0.49 0.04 -0.84 1.46 2.43 -0.67 -0.25 114.38 117.04 2gfu h ARG 178 Ca -0.07 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 2gfu h ARG 178 Cb 1.47 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.99 2gfu h ARG 178 CO 0.17 0.72 0.44 0.00 -1.51 0.00 0.00 179.97 179.79 2gfu h ALA 179 N 0.33 1.08 0.10 2.80 0.00 -1.10 -2.77 119.26 119.71 2gfu h ALA 179 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2gfu h ALA 179 Cb 0.73 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2gfu h ALA 179 CO 0.01 0.61 -0.17 0.22 0.00 0.00 0.00 179.25 179.92 2gfu h ASP 180 N 1.18 -0.46 -0.43 0.00 3.58 -0.97 0.84 116.42 120.17 2gfu h ASP 180 Ca 0.29 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.84 2gfu h ASP 180 Cb 0.06 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 2gfu h ASP 180 CO -0.04 -0.24 0.29 1.05 -2.88 0.00 0.00 179.24 177.42 2gfu h GLU 181 N -0.32 0.43 0.01 0.28 4.11 -1.05 -0.83 114.58 117.20 2gfu h GLU 181 Ca 0.02 -0.03 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 2gfu h GLU 181 Cb 0.34 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.51 2gfu h GLU 181 CO -0.09 0.28 -0.56 0.00 0.07 0.00 0.00 179.01 178.71 2gfu h ALA 182 N 1.75 0.05 -0.28 1.06 0.00 -1.27 -3.13 119.26 117.45 2gfu h ALA 182 Ca 0.18 -0.56 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 2gfu h ALA 182 Cb 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2gfu h ALA 182 CO -0.04 0.31 -0.40 1.37 0.00 0.00 0.00 179.25 180.49 2gfu h LEU 183 N -0.20 0.70 -0.01 0.00 8.10 -0.71 -3.07 115.31 120.12 2gfu h LEU 183 Ca -0.07 -0.31 0.00 0.00 0.11 0.00 0.00 57.88 57.60 2gfu h LEU 183 Cb 1.29 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 41.32 2gfu h LEU 183 CO 0.11 1.01 -0.21 -0.46 -4.11 0.00 0.00 178.44 174.78 2gfu n ASN 184 N -4.04 0.23 0.00 0.17 6.94 -0.33 -4.78 115.26 113.45 2gfu n ASN 184 Ca -0.02 0.14 0.00 0.00 -0.02 0.00 0.00 54.58 54.68 2gfu n ASN 184 Cb 0.52 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 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 -1.48 0.00 -4.09 -3.83 5.02 -1.18 -5.04 118.16 107.55 2gfu n LYS 185 Ca 0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.23 2gfu n LYS 185 Cb 0.34 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.23 2gfu n LYS 185 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gfu s ASP 186 N 1.00 0.96 0.40 4.39 1.01 -1.16 -5.05 116.67 118.22 2gfu s ASP 186 Ca 0.00 -0.67 0.16 0.00 0.71 0.00 0.00 52.55 52.74 2gfu s ASP 186 Cb 0.00 0.05 1.03 0.00 1.01 0.00 0.00 42.92 45.01 2gfu s ASP 186 CO 0.00 -0.27 1.83 0.50 0.21 0.00 0.00 175.17 177.44 2gfu h LYS 187 N 4.08 0.46 -0.51 8.23 3.64 -1.95 -1.09 116.57 129.42 2gfu h LYS 187 Ca -0.36 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.14 2gfu h LYS 187 Cb 1.19 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 2gfu h LYS 187 CO 0.47 0.30 0.36 0.97 -2.27 0.00 0.00 179.45 179.29 2gfu h ILE 188 N 0.47 0.76 -0.13 2.00 2.10 -1.97 -0.33 117.51 120.40 2gfu h ILE 188 Ca 0.50 -0.01 -0.20 0.00 1.08 0.00 0.00 64.86 66.23 2gfu h ILE 188 Cb 1.17 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 2gfu h ILE 188 CO -0.22 0.00 -0.74 0.11 -1.08 0.00 0.00 178.15 176.22 2gfu h LYS 189 N 0.02 0.64 0.01 2.19 6.56 -1.52 -2.62 116.57 121.85 2gfu h LYS 189 Ca 0.24 -0.51 -0.15 0.00 -1.06 0.00 0.00 60.65 59.17 2gfu h LYS 189 Cb 0.94 0.10 0.01 0.00 -0.57 0.00 0.00 32.23 32.71 2gfu h LYS 189 CO -0.01 1.13 -0.61 0.07 -2.06 0.00 0.00 179.45 177.97 2gfu h ARG 190 N 0.44 0.39 0.00 3.15 -0.00 -1.60 -3.36 114.38 113.40 2gfu h ARG 190 Ca -0.04 -0.44 0.00 0.00 -0.00 0.00 0.00 59.98 59.50 2gfu h ARG 190 Cb 1.34 0.13 0.00 0.00 -0.00 0.00 0.00 29.97 31.44 2gfu h ARG 190 CO 0.14 1.11 0.00 -0.07 -0.00 0.00 0.00 179.97 181.15 2gfu h LEU 191 N -0.14 0.00 0.00 0.08 3.38 -1.17 0.41 115.31 117.88 2gfu h LEU 191 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2gfu h LEU 191 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2gfu h LEU 191 CO 0.12 0.00 -0.29 -0.62 0.09 0.00 0.00 178.44 177.74 2gfu n GLU 192 N -2.93 0.17 -0.10 1.13 -0.58 -0.99 -4.10 120.64 113.24 2gfu n GLU 192 Ca 0.04 0.09 -0.20 0.00 -0.42 0.00 0.00 57.16 56.67 2gfu n GLU 192 Cb 0.49 -1.65 -0.07 0.00 -0.57 0.00 0.00 31.44 29.65 2gfu n GLU 192 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2gfu n LEU 193 N -1.92 1.50 0.00 -4.62 4.32 -1.16 -4.15 117.00 110.97 2gfu n LEU 193 Ca 0.05 0.26 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 2gfu n LEU 193 Cb 0.40 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 2gfu n LEU 193 CO 0.32 0.32 0.00 0.00 -1.22 0.00 0.00 177.39 176.82 2gfu n ALA 194 N -3.97 0.00 0.79 -1.18 0.00 0.14 -0.23 120.51 116.05 2gfu n ALA 194 Ca -0.37 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.11 2gfu n ALA 194 Cb 0.74 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.33 2gfu n ALA 194 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gfu n VAL 195 N 0.00 0.63 -0.51 0.00 0.24 -1.26 -4.78 118.33 112.65 2gfu n VAL 195 Ca 0.00 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2gfu n VAL 195 Cb 0.00 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 2gfu n VAL 195 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2gfu n SER 196 N 0.36 -0.49 -3.21 -1.34 2.88 -0.51 -4.74 113.62 106.57 2gfu n SER 196 Ca 0.11 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.36 2gfu n SER 196 Cb 0.37 -0.12 -0.05 0.00 -0.75 0.00 0.00 64.21 63.66 2gfu n SER 196 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2gfu n ASP 197 N -0.15 4.61 -0.25 -3.46 8.00 0.67 -4.96 116.55 121.02 2gfu n ASP 197 Ca 0.00 -3.60 -0.05 0.00 0.71 0.00 0.00 54.79 51.85 2gfu n ASP 197 Cb 0.12 -0.68 0.06 0.00 -0.02 0.00 0.00 41.12 40.60 2gfu n ASP 197 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2gfu h GLU 198 N 3.60 0.90 -0.25 -1.24 5.08 -1.72 -2.85 114.58 118.10 2gfu h GLU 198 Ca 0.19 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 2gfu h GLU 198 Cb 0.54 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2gfu h GLU 198 CO 0.88 0.59 -0.32 -1.35 -1.00 0.00 0.00 179.01 177.82 2gfu h PRO 199 N 0.92 0.65 0.00 2.33 0.11 -1.93 -3.46 132.00 130.62 2gfu h PRO 199 Ca 0.26 -0.37 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2gfu h PRO 199 Cb -0.09 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.05 2gfu h PRO 199 CO -0.06 0.98 0.00 0.43 -0.21 0.00 0.00 178.00 179.14 2gfu n SER 200 N -4.27 0.00 -0.84 -2.05 7.64 -1.07 -5.12 113.62 107.90 2gfu n SER 200 Ca -0.05 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.94 2gfu n SER 200 Cb 0.49 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.78 2gfu n SER 200 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24