#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfe s SER 2 N 0.00 -0.55 0.84 1.61 0.01 -1.26 -5.18 113.70 109.18 1wfe s SER 2 Ca 0.00 0.71 -0.09 0.00 1.31 0.00 0.00 55.95 57.88 1wfe s SER 2 Cb 0.00 0.68 0.16 0.00 0.21 0.00 0.00 66.02 67.07 1wfe s SER 2 CO 0.00 -0.47 1.17 -0.94 0.41 0.00 0.00 173.24 173.41 1wfe s SER 3 N -0.82 3.75 -0.07 2.44 1.04 -1.26 -5.10 113.70 113.70 1wfe s SER 3 Ca -0.09 0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.41 1wfe s SER 3 Cb -0.02 -0.27 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1wfe s SER 3 CO 0.06 -2.29 -0.16 -0.83 0.98 0.00 0.00 173.24 171.00 1wfe s GLY 4 N -4.80 0.96 0.48 7.32 0.00 -1.26 -5.14 107.32 104.88 1wfe s GLY 4 Ca 0.70 -0.62 0.06 0.00 0.00 0.00 0.00 44.72 44.85 1wfe s GLY 4 CO 0.49 -0.11 0.27 -0.45 0.00 0.00 0.00 173.10 173.30 1wfe s SER 5 N 0.42 4.54 0.03 1.64 0.15 -1.26 -5.15 113.70 114.06 1wfe s SER 5 Ca -0.13 -1.19 0.01 0.00 0.70 0.00 0.00 55.95 55.33 1wfe s SER 5 Cb -0.15 0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.16 1wfe s SER 5 CO 0.05 -0.83 -0.04 -0.55 1.20 0.00 0.00 173.24 173.06 1wfe s SER 6 N -4.08 0.41 0.00 5.45 0.15 -1.26 -5.15 113.70 109.22 1wfe s SER 6 Ca 0.34 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1wfe s SER 6 Cb 0.00 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1wfe s SER 6 CO 0.20 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1wfe n GLY 7 N 1.49 3.05 3.64 9.45 0.00 -1.26 -5.15 105.19 116.40 1wfe n GLY 7 Ca -0.23 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 1wfe n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfe s SER 9 N 2.40 4.58 0.06 0.00 0.01 -1.26 -5.05 113.70 114.44 1wfe s SER 9 Ca -0.07 -3.68 -0.28 0.00 1.31 0.00 0.00 55.95 53.23 1wfe s SER 9 Cb -0.09 -1.57 0.09 0.00 0.21 0.00 0.00 66.02 64.66 1wfe s SER 9 CO -0.19 -0.11 1.09 -0.70 0.41 0.00 0.00 173.24 173.74 1wfe s GLU 10 N -1.19 0.82 -0.18 12.44 2.56 -1.26 -5.18 118.70 126.70 1wfe s GLU 10 Ca 0.24 -0.43 -0.28 0.00 0.00 0.00 0.00 54.97 54.50 1wfe s GLU 10 Cb -0.08 0.29 0.09 0.00 2.00 0.00 0.00 34.13 36.43 1wfe s GLU 10 CO -0.14 -0.37 0.79 0.54 -0.56 0.00 0.00 175.26 175.52 1wfe s VAL 11 N -2.90 0.00 0.39 3.70 0.11 -1.26 -5.18 120.40 115.26 1wfe s VAL 11 Ca 0.12 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.25 1wfe s VAL 11 Cb 0.01 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.80 1wfe s VAL 11 CO -0.01 0.00 0.10 0.21 -3.33 0.00 0.00 175.10 172.07 1wfe s ASN 12 N -0.42 4.25 -0.03 3.54 2.47 -1.26 -5.15 114.94 118.34 1wfe s ASN 12 Ca -0.04 -1.11 -0.07 0.00 0.42 0.00 0.00 52.86 52.07 1wfe s ASN 12 Cb -0.03 -0.48 0.01 0.00 -1.45 0.00 0.00 41.25 39.30 1wfe s ASN 12 CO 0.03 -0.43 0.16 0.54 -3.72 0.00 0.00 177.10 173.67 1wfe s VAL 13 N -2.60 0.04 -0.25 -5.21 0.11 -1.26 -5.14 120.40 106.09 1wfe s VAL 13 Ca 0.38 -0.32 -0.15 0.00 -2.93 0.00 0.00 61.98 58.96 1wfe s VAL 13 Cb 0.04 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1wfe s VAL 13 CO 0.21 -0.18 0.37 -0.69 -3.33 0.00 0.00 175.10 171.48 1wfe s VAL 14 N -0.60 5.19 -0.53 2.04 1.01 -1.26 -5.02 120.40 121.23 1wfe s VAL 14 Ca -0.07 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1wfe s VAL 14 Cb -0.04 -3.69 0.17 0.00 0.00 0.00 0.00 36.38 32.81 1wfe s VAL 14 CO 0.01 0.19 0.39 -0.75 0.00 0.00 0.00 175.10 174.94 1wfe s LYS 15 N 1.83 1.58 -0.21 2.72 2.47 -1.26 -5.09 119.74 121.78 1wfe s LYS 15 Ca 0.16 -2.61 -0.29 0.00 -1.56 0.00 0.00 55.97 51.67 1wfe s LYS 15 Cb -0.15 -2.32 -0.02 0.00 -1.46 0.00 0.00 37.83 33.87 1wfe s LYS 15 CO 0.09 -1.33 1.44 -1.83 0.16 0.00 0.00 175.35 173.88 1wfe s GLU 16 N -0.53 3.99 0.50 4.03 -1.05 -1.26 -4.95 118.70 119.42 1wfe s GLU 16 Ca 0.28 1.60 -0.15 0.00 -0.15 0.00 0.00 54.97 56.55 1wfe s GLU 16 Cb -0.02 -3.91 -0.12 0.00 -0.44 0.00 0.00 34.13 29.63 1wfe s GLU 16 CO -0.17 -1.04 -0.22 0.54 0.95 0.00 0.00 175.26 175.33 1wfe n ARG 17 N 7.23 0.00 -2.19 -4.83 5.12 -1.26 -4.79 116.66 115.95 1wfe n ARG 17 Ca 0.16 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.66 1wfe n ARG 17 Cb 0.45 -0.83 -0.03 0.00 -1.16 0.00 0.00 32.46 30.89 1wfe n ARG 17 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1wfe s PRO 18 N -1.00 4.29 -0.74 5.56 0.04 -1.26 -4.98 135.00 136.90 1wfe s PRO 18 Ca 0.44 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.47 1wfe s PRO 18 Cb -0.36 -3.48 0.19 0.00 0.04 0.00 0.00 34.50 30.89 1wfe s PRO 18 CO 0.58 -0.54 0.59 0.15 0.04 0.00 0.00 177.00 177.82 1wfe s LYS 19 N 2.03 2.93 -0.48 4.56 1.02 -1.26 -5.00 119.74 123.54 1wfe s LYS 19 Ca 0.65 -2.79 0.04 0.00 0.02 0.00 0.00 55.97 53.89 1wfe s LYS 19 Cb -0.34 -3.89 0.12 0.00 -0.52 0.00 0.00 37.83 33.21 1wfe s LYS 19 CO 0.28 -1.22 0.21 0.95 -0.92 0.00 0.00 175.35 174.66 1wfe s THR 20 N -0.49 2.55 -0.29 2.17 -4.23 -1.26 -4.91 115.64 109.18 1wfe s THR 20 Ca 0.21 -3.08 0.17 0.00 -1.18 0.00 0.00 61.69 57.81 1wfe s THR 20 Cb -0.15 -2.79 0.49 0.00 1.34 0.00 0.00 72.50 71.38 1wfe s THR 20 CO -0.07 -0.75 1.11 0.47 -0.54 0.00 0.00 174.62 174.83 1wfe n ASP 21 N 3.40 2.55 -4.35 3.99 9.92 -1.26 -5.08 116.55 125.71 1wfe n ASP 21 Ca 0.05 -2.63 -0.22 0.00 -0.53 0.00 0.00 54.79 51.45 1wfe n ASP 21 Cb 0.35 -0.45 -0.10 0.00 -0.64 0.00 0.00 41.12 40.28 1wfe n ASP 21 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1wfe s GLU 22 N -3.65 1.72 -0.18 -1.24 -1.05 -1.26 -5.15 118.70 107.90 1wfe s GLU 22 Ca 0.34 -1.98 -0.04 0.00 -0.15 0.00 0.00 54.97 53.14 1wfe s GLU 22 Cb 0.37 -0.74 -0.02 0.00 -0.44 0.00 0.00 34.13 33.29 1wfe s GLU 22 CO -0.02 -0.29 -0.03 -1.01 0.95 0.00 0.00 175.26 174.86 1wfe s HIS 23 N -3.31 3.00 0.84 4.83 3.76 -1.26 -5.11 115.29 118.04 1wfe s HIS 23 Ca 0.32 -0.45 -0.12 0.00 -0.15 0.00 0.00 55.06 54.67 1wfe s HIS 23 Cb 0.07 -2.01 0.10 0.00 1.11 0.00 0.00 32.58 31.85 1wfe s HIS 23 CO 0.15 -0.17 1.12 0.15 -0.85 0.00 0.00 174.74 175.13 1wfe s LYS 24 N 0.70 1.71 -0.03 1.40 3.01 -1.21 -5.01 119.74 120.31 1wfe s LYS 24 Ca -0.02 0.48 0.00 0.00 -1.01 0.00 0.00 55.97 55.43 1wfe s LYS 24 Cb -0.14 -1.89 0.03 0.00 -1.01 0.00 0.00 37.83 34.81 1wfe s LYS 24 CO 0.02 -1.84 -0.00 -1.54 0.51 0.00 0.00 175.35 172.50 1wfe s SER 25 N -3.98 0.59 -0.04 2.83 1.04 -1.26 -3.95 113.70 108.93 1wfe s SER 25 Ca 0.62 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 57.06 1wfe s SER 25 Cb -0.14 -0.25 -0.00 0.00 0.10 0.00 0.00 66.02 65.72 1wfe s SER 25 CO 0.54 -0.11 -0.17 -0.31 0.98 0.00 0.00 173.24 174.16 1wfe s TYR 26 N 1.13 1.71 0.21 5.02 1.51 -1.17 -4.95 117.35 120.82 1wfe s TYR 26 Ca -0.08 -0.48 -0.21 0.00 -1.01 0.00 0.00 57.07 55.28 1wfe s TYR 26 Cb -0.13 -1.15 -0.08 0.00 -0.11 0.00 0.00 41.96 40.48 1wfe s TYR 26 CO -0.02 -0.16 0.74 -1.12 -1.11 0.00 0.00 175.55 173.89 1wfe s SER 27 N 0.01 7.14 0.44 2.29 0.01 -1.26 -3.11 113.70 119.22 1wfe s SER 27 Ca -0.03 1.49 -0.25 0.00 1.31 0.00 0.00 55.95 58.46 1wfe s SER 27 Cb -0.11 -2.44 -0.08 0.00 0.21 0.00 0.00 66.02 63.59 1wfe s SER 27 CO 0.02 0.07 1.35 0.00 0.41 0.00 0.00 173.24 175.09 1wfe n SER 29 N -0.16 4.57 -4.95 0.00 2.88 0.45 -4.87 113.62 111.54 1wfe n SER 29 Ca 0.05 -3.71 -0.20 0.00 -1.33 0.00 0.00 58.87 53.68 1wfe n SER 29 Cb 0.43 -0.80 -0.02 0.00 -0.75 0.00 0.00 64.21 63.07 1wfe n SER 29 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1wfe s PHE 30 N -3.45 3.26 -0.93 0.66 5.36 -1.26 -4.99 117.98 116.63 1wfe s PHE 30 Ca 0.56 -0.12 -0.21 0.00 -0.96 0.00 0.00 56.93 56.21 1wfe s PHE 30 Cb 0.47 -1.70 0.10 0.00 -0.34 0.00 0.00 43.02 41.54 1wfe s PHE 30 CO 0.05 0.29 1.22 0.21 -1.46 0.00 0.00 175.22 175.52 1wfe s LYS 31 N -4.03 3.55 0.00 10.12 2.20 -1.26 -3.77 119.74 126.54 1wfe s LYS 31 Ca 0.38 -1.45 0.00 0.00 -0.36 0.00 0.00 55.97 54.54 1wfe s LYS 31 Cb -0.09 -4.98 0.00 0.00 -1.51 0.00 0.00 37.83 31.25 1wfe s LYS 31 CO 0.29 -1.92 0.00 0.41 -0.36 0.00 0.00 175.35 173.77 1wfe n GLY 32 N 5.92 1.26 3.14 5.54 0.00 -1.26 -5.14 105.19 114.65 1wfe n GLY 32 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 1wfe n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfe n THR 34 N 4.06 1.75 -3.96 0.00 -2.24 -1.26 -4.62 114.28 108.01 1wfe n THR 34 Ca -0.23 -3.17 -0.28 0.00 -2.27 0.00 0.00 64.05 58.11 1wfe n THR 34 Cb 0.54 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 1wfe n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wfe s ASP 35 N -3.31 6.22 0.34 3.42 1.11 -1.26 -4.90 116.67 118.28 1wfe s ASP 35 Ca 0.39 0.16 0.01 0.00 0.18 0.00 0.00 52.55 53.30 1wfe s ASP 35 Cb 0.38 -1.85 -0.01 0.00 1.07 0.00 0.00 42.92 42.51 1wfe s ASP 35 CO -0.04 0.09 0.05 1.33 1.18 0.00 0.00 175.17 177.79 1wfe n VAL 36 N -0.23 0.00 -3.50 -1.27 0.24 -1.26 -1.67 118.33 110.63 1wfe n VAL 36 Ca -0.07 -1.76 -0.11 0.00 -2.04 0.00 0.00 64.34 60.36 1wfe n VAL 36 Cb 0.53 0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.36 1wfe n VAL 36 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1wfe s GLU 37 N -3.25 1.23 0.16 7.34 0.41 -1.18 -4.95 118.70 118.46 1wfe s GLU 37 Ca 0.07 -0.57 -0.16 0.00 -0.41 0.00 0.00 54.97 53.91 1wfe s GLU 37 Cb 0.00 0.55 0.09 0.00 -1.78 0.00 0.00 34.13 32.99 1wfe s GLU 37 CO 0.05 -0.52 1.74 -0.07 -0.49 0.00 0.00 175.26 175.97 1wfe h LEU 38 N 2.12 0.10-10.58 1.80 3.38 -1.94 -3.09 115.31 107.09 1wfe h LEU 38 Ca -0.33 0.05 -0.46 0.00 0.09 0.00 0.00 57.88 57.22 1wfe h LEU 38 Cb 1.29 0.05 0.03 0.00 0.09 0.00 0.00 40.66 42.12 1wfe h LEU 38 CO 0.40 0.09 -0.12 0.68 0.09 0.00 0.00 178.44 179.58 1wfe s VAL 39 N -6.16 2.43 -0.34 1.22 -7.23 -1.26 -3.34 120.40 105.72 1wfe s VAL 39 Ca -0.13 -0.93 -0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1wfe s VAL 39 Cb 0.13 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.65 1wfe s VAL 39 CO 0.71 0.00 0.07 0.00 -0.31 0.00 0.00 175.10 175.57 1wfe s ALA 40 N -2.63 2.92 -0.86 1.32 0.00 -1.26 -4.51 121.76 116.74 1wfe s ALA 40 Ca 0.60 -2.20 -0.25 0.00 0.00 0.00 0.00 51.96 50.11 1wfe s ALA 40 Cb -0.07 -2.06 0.04 0.00 0.00 0.00 0.00 23.12 21.02 1wfe s ALA 40 CO 0.38 -1.54 1.35 0.08 0.00 0.00 0.00 175.76 176.03 1wfe s VAL 41 N 1.12 3.81 0.05 0.00 1.01 -1.25 -4.96 120.40 120.18 1wfe s VAL 41 Ca 0.03 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 1wfe s VAL 41 Cb -0.21 -4.98 -0.06 0.00 0.00 0.00 0.00 36.38 31.13 1wfe s VAL 41 CO -0.04 -1.89 0.57 -0.63 0.00 0.00 0.00 175.10 173.11 1wfe s ILE 42 N 5.42 4.78 -0.15 2.22 -1.09 -1.26 -1.03 121.20 130.09 1wfe s ILE 42 Ca 0.40 1.22 -0.21 0.00 -2.23 0.00 0.00 60.65 59.83 1wfe s ILE 42 Cb -0.05 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1wfe s ILE 42 CO 0.04 0.52 0.61 0.00 -1.23 0.00 0.00 174.94 174.89 1wfe n PRO 44 N 4.50 0.49 -0.01 0.00 -0.04 -1.26 0.54 135.00 139.21 1wfe n PRO 44 Ca -0.02 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.41 1wfe n PRO 44 Cb 0.50 -1.22 -0.01 0.00 -0.04 0.00 0.00 33.50 32.74 1wfe n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wfe n TYR 45 N -0.72 0.00 1.11 0.54 4.02 -1.26 -4.74 117.16 116.11 1wfe n TYR 45 Ca 0.05 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.06 1wfe n TYR 45 Cb 0.02 -0.14 0.30 0.00 -0.02 0.00 0.00 39.34 39.50 1wfe n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wfe n GLU 47 N -1.10 -6.17 -4.45 0.00 1.02 0.19 -4.96 120.64 105.16 1wfe n GLU 47 Ca 0.09 0.69 -0.24 0.00 -0.02 0.00 0.00 57.16 57.67 1wfe n GLU 47 Cb 0.34 -5.57 -0.10 0.00 -0.02 0.00 0.00 31.44 26.09 1wfe n GLU 47 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wfe s LYS 48 N -6.28 1.63 -0.11 3.49 1.02 -1.25 -4.78 119.74 113.46 1wfe s LYS 48 Ca 0.44 -1.72 -0.15 0.00 0.02 0.00 0.00 55.97 54.56 1wfe s LYS 48 Cb -0.21 -1.74 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 1wfe s LYS 48 CO 0.79 0.33 0.38 1.21 -0.92 0.00 0.00 175.35 177.14 1wfe s ASN 49 N -3.36 6.61 0.32 2.83 2.47 -1.26 -0.57 114.94 121.98 1wfe s ASN 49 Ca 0.28 0.72 0.05 0.00 0.42 0.00 0.00 52.86 54.33 1wfe s ASN 49 Cb -0.05 -2.23 -0.03 0.00 -1.45 0.00 0.00 41.25 37.49 1wfe s ASN 49 CO 0.14 0.13 0.22 -0.36 -3.72 0.00 0.00 177.10 173.50 1wfe s PHE 50 N 0.13 1.66 0.04 0.43 0.08 -0.19 -0.41 117.98 119.71 1wfe s PHE 50 Ca 0.21 -1.52 -0.04 0.00 0.12 0.00 0.00 56.93 55.70 1wfe s PHE 50 Cb -0.15 -0.79 -0.05 0.00 -0.57 0.00 0.00 43.02 41.47 1wfe s PHE 50 CO 0.08 -0.69 0.26 0.00 -0.10 0.00 0.00 175.22 174.77 1wfe n LEU 52 N 0.73 0.30 -0.28 0.00 7.99 -1.26 0.23 117.00 124.71 1wfe n LEU 52 Ca -0.08 1.50 -0.06 0.00 -0.01 0.00 0.00 56.01 57.36 1wfe n LEU 52 Cb 0.52 -0.72 0.06 0.00 -0.11 0.00 0.00 43.42 43.17 1wfe n LEU 52 CO 0.45 -1.67 1.08 0.03 -1.51 0.00 0.00 177.39 175.77 1wfe h ARG 53 N 0.00 1.12 -0.69 3.23 3.08 -2.01 -2.96 114.38 116.15 1wfe h ARG 53 Ca 0.76 -0.17 -0.48 0.00 0.07 0.00 0.00 59.98 60.16 1wfe h ARG 53 Cb 1.99 -0.20 -0.31 0.00 0.08 0.00 0.00 29.97 31.53 1wfe h ARG 53 CO -0.70 0.87 -0.28 0.72 -1.07 0.00 0.00 179.97 179.51 1wfe n HIS 54 N -4.37 2.38 -0.03 3.04 8.25 0.64 -4.72 115.22 120.42 1wfe n HIS 54 Ca 0.07 -2.24 -0.15 0.00 -0.26 0.00 0.00 57.72 55.14 1wfe n HIS 54 Cb 0.14 -0.61 -0.10 0.00 1.12 0.00 0.00 29.99 30.53 1wfe n HIS 54 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1wfe h ARG 55 N 1.83 0.20 -6.74 -0.41 0.11 -0.01 -3.37 114.38 106.00 1wfe h ARG 55 Ca 0.38 -0.18 -0.52 0.00 0.10 0.00 0.00 59.98 59.75 1wfe h ARG 55 Cb 1.38 0.04 0.22 0.00 1.11 0.00 0.00 29.97 32.72 1wfe h ARG 55 CO 0.83 0.85 -0.70 1.58 0.10 0.00 0.00 179.97 182.63 1wfe n HIS 56 N -4.53 -1.62 0.00 4.08 -0.00 -1.26 -4.85 115.22 107.04 1wfe n HIS 56 Ca -0.09 0.21 0.00 0.00 0.46 0.00 0.00 57.72 58.30 1wfe n HIS 56 Cb 0.46 -1.74 0.00 0.00 -0.12 0.00 0.00 29.99 28.59 1wfe n HIS 56 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1wfe n GLN 57 N -1.55 0.00 -0.33 1.57 6.02 -1.26 -2.94 117.38 118.89 1wfe n GLN 57 Ca 0.05 0.30 0.22 0.00 -0.01 0.00 0.00 57.00 57.57 1wfe n GLN 57 Cb 0.55 -1.18 0.45 0.00 1.02 0.00 0.00 30.24 31.08 1wfe n GLN 57 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1wfe h SER 58 N 0.00 0.44 -0.56 1.08 4.64 -1.93 0.12 113.55 117.34 1wfe h SER 58 Ca 0.00 0.19 0.11 0.00 -0.47 0.00 0.00 61.79 61.62 1wfe h SER 58 Cb 0.00 0.16 -0.11 0.00 -0.31 0.00 0.00 62.40 62.14 1wfe h SER 58 CO 0.00 -0.15 -0.25 0.44 -0.87 0.00 0.00 176.83 176.01 1wfe h ASP 59 N 0.30 -0.87 -0.59 4.97 5.19 -1.90 0.33 116.42 123.85 1wfe h ASP 59 Ca 0.71 0.20 -0.20 0.00 -0.62 0.00 0.00 57.03 57.12 1wfe h ASP 59 Cb 1.61 0.47 -0.12 0.00 0.18 0.00 0.00 39.33 41.47 1wfe h ASP 59 CO -0.62 -0.26 0.26 0.00 -3.12 0.00 0.00 179.24 175.49 1wfe n HIS 60 N -5.43 1.94 -4.11 4.55 1.44 0.35 -4.91 115.22 109.06 1wfe n HIS 60 Ca 0.05 -1.04 -0.30 0.00 -2.01 0.00 0.00 57.72 54.41 1wfe n HIS 60 Cb 0.34 -0.60 -0.05 0.00 0.12 0.00 0.00 29.99 29.80 1wfe n HIS 60 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1wfe n ASP 61 N -0.16 -0.44 -4.42 4.39 -0.08 0.12 -4.66 116.55 111.29 1wfe n ASP 61 Ca 0.33 -1.15 -0.59 0.00 -1.51 0.00 0.00 54.79 51.87 1wfe n ASP 61 Cb 1.18 -2.31 -0.10 0.00 2.34 0.00 0.00 41.12 42.23 1wfe n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wfe h GLU 63 N 9.01 0.55 -0.75 0.00 4.11 -1.92 -2.37 114.58 123.20 1wfe h GLU 63 Ca -0.23 -0.05 0.11 0.00 0.07 0.00 0.00 59.36 59.26 1wfe h GLU 63 Cb 1.38 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.43 1wfe h GLU 63 CO 1.04 0.40 0.37 0.87 0.07 0.00 0.00 179.01 181.76 1wfe h LYS 64 N 0.56 0.58 -5.92 1.06 1.79 -1.91 -3.43 116.57 109.30 1wfe h LYS 64 Ca 0.15 -0.04 -0.54 0.00 -2.18 0.00 0.00 60.65 58.04 1wfe h LYS 64 Cb 0.00 -0.13 0.24 0.00 -1.58 0.00 0.00 32.23 30.76 1wfe h LYS 64 CO -0.03 0.39 -1.87 1.28 -1.08 0.00 0.00 179.45 178.14 1wfe n LEU 65 N -4.87 -5.90 -3.52 2.94 4.77 -0.89 -4.92 117.00 104.60 1wfe n LEU 65 Ca 0.13 0.17 -0.27 0.00 -0.03 0.00 0.00 56.01 56.01 1wfe n LEU 65 Cb 0.32 -0.74 -0.09 0.00 -2.33 0.00 0.00 43.42 40.57 1wfe n LEU 65 CO 0.24 -5.89 0.01 1.21 -1.33 0.00 0.00 177.39 171.63 1wfe n GLU 66 N 2.47 2.16 -4.31 3.23 2.13 -1.26 -5.07 120.64 119.98 1wfe n GLU 66 Ca -0.02 -4.48 -0.34 0.00 0.66 0.00 0.00 57.16 52.98 1wfe n GLU 66 Cb 0.56 -2.17 -0.10 0.00 0.27 0.00 0.00 31.44 30.00 1wfe n GLU 66 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1wfe s VAL 67 N -2.06 4.27 -0.60 6.31 1.01 -1.26 -5.00 120.40 123.07 1wfe s VAL 67 Ca 0.36 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1wfe s VAL 67 Cb 0.10 -2.85 -0.16 0.00 0.00 0.00 0.00 36.38 33.47 1wfe s VAL 67 CO -0.06 0.54 1.91 0.00 0.00 0.00 0.00 175.10 177.48 1wfe n ALA 68 N 2.90 0.20 -2.57 5.51 0.00 -1.26 -4.89 120.51 120.41 1wfe n ALA 68 Ca -0.18 -0.04 -0.24 0.00 0.00 0.00 0.00 53.44 52.98 1wfe n ALA 68 Cb 0.53 -1.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.19 1wfe n ALA 68 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wfe s LYS 69 N 5.93 2.03 0.00 0.00 1.02 -1.26 -5.00 119.74 122.46 1wfe s LYS 69 Ca 1.01 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1wfe s LYS 69 Cb -1.08 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1wfe s LYS 69 CO 0.45 0.33 0.44 -0.35 -0.92 0.00 0.00 175.35 175.30 1wfe n PRO 70 N -0.79 0.49 -0.93 -1.68 -0.04 -1.26 -4.87 135.00 125.91 1wfe n PRO 70 Ca -0.06 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.03 1wfe n PRO 70 Cb 0.60 -1.04 0.06 0.00 -0.04 0.00 0.00 33.50 33.07 1wfe n PRO 70 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wfe n ARG 71 N -0.37 -0.29 -0.89 0.54 1.74 -1.26 -4.84 116.66 111.29 1wfe n ARG 71 Ca 0.00 -0.08 -0.36 0.00 -0.77 0.00 0.00 57.85 56.64 1wfe n ARG 71 Cb 0.02 -1.16 0.08 0.00 -1.02 0.00 0.00 32.46 30.38 1wfe n ARG 71 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1wfe n MET 72 N 1.53 -0.47 -4.23 5.56 2.81 -1.26 -5.01 117.12 116.05 1wfe n MET 72 Ca -0.01 -0.13 -0.19 0.00 -1.81 0.00 0.00 57.70 55.56 1wfe n MET 72 Cb 0.69 -1.25 -0.11 0.00 -0.71 0.00 0.00 33.22 31.83 1wfe n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wfe s ALA 73 N -2.09 1.48 -0.83 3.04 0.00 -1.26 -4.81 121.76 117.28 1wfe s ALA 73 Ca 0.44 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1wfe s ALA 73 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1wfe s ALA 73 CO 0.69 0.14 0.72 0.00 0.00 0.00 0.00 175.76 177.31 1wfe n ALA 74 N 0.72 -0.93 -1.68 0.00 0.00 -1.26 -4.91 120.51 112.46 1wfe n ALA 74 Ca -0.17 0.19 -0.47 0.00 0.00 0.00 0.00 53.44 52.99 1wfe n ALA 74 Cb 0.56 -3.23 -0.04 0.00 0.00 0.00 0.00 19.45 16.74 1wfe n ALA 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wfe n THR 75 N -3.83 0.61 -1.62 0.00 -1.04 -1.26 -4.85 114.28 102.29 1wfe n THR 75 Ca -0.04 -0.11 -0.45 0.00 -2.04 0.00 0.00 64.05 61.42 1wfe n THR 75 Cb 0.55 -1.95 -0.04 0.00 -1.82 0.00 0.00 70.33 67.07 1wfe n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wfe n GLN 76 N 6.78 2.22 -3.60 -2.82 6.02 -1.26 -4.92 117.38 119.80 1wfe n GLN 76 Ca 0.22 0.74 -0.09 0.00 -0.01 0.00 0.00 57.00 57.86 1wfe n GLN 76 Cb 0.32 -2.96 -0.06 0.00 1.02 0.00 0.00 30.24 28.56 1wfe n GLN 76 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1wfe s LYS 77 N 5.25 0.51 -0.27 -1.09 2.47 -1.26 -5.11 119.74 120.24 1wfe s LYS 77 Ca 0.96 0.23 -0.29 0.00 -1.56 0.00 0.00 55.97 55.30 1wfe s LYS 77 Cb -0.50 0.24 -0.07 0.00 -1.46 0.00 0.00 37.83 36.05 1wfe s LYS 77 CO 0.42 -0.14 2.23 1.28 0.16 0.00 0.00 175.35 179.31 1wfe n LEU 78 N 1.06 2.95 -3.74 5.43 7.99 -1.26 -4.93 117.00 124.50 1wfe n LEU 78 Ca -0.10 0.20 -0.12 0.00 -0.01 0.00 0.00 56.01 55.98 1wfe n LEU 78 Cb 0.57 -1.49 -0.13 0.00 -0.11 0.00 0.00 43.42 42.26 1wfe n LEU 78 CO 0.12 -0.75 -0.13 0.68 -1.51 0.00 0.00 177.39 175.80 1wfe s VAL 79 N 8.35 -0.03 -0.26 4.08 -7.23 -1.26 -5.15 120.40 118.90 1wfe s VAL 79 Ca 1.03 0.13 -0.15 0.00 -1.81 0.00 0.00 61.98 61.17 1wfe s VAL 79 Cb -0.44 -0.37 0.08 0.00 0.56 0.00 0.00 36.38 36.21 1wfe s VAL 79 CO 0.38 0.05 0.64 -0.13 -0.31 0.00 0.00 175.10 175.73 1wfe s ARG 80 N 1.08 0.66 0.58 4.82 0.52 -1.26 -5.18 118.95 120.18 1wfe s ARG 80 Ca -0.08 1.13 0.09 0.00 -0.52 0.00 0.00 55.73 56.35 1wfe s ARG 80 Cb -0.09 0.13 0.09 0.00 0.52 0.00 0.00 34.95 35.60 1wfe s ARG 80 CO -0.07 -0.15 0.80 -1.12 0.02 0.00 0.00 175.30 174.78 1wfe s SER 81 N 1.50 5.07 0.58 0.23 0.01 -1.26 -5.13 113.70 114.71 1wfe s SER 81 Ca -0.09 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1wfe s SER 81 Cb -0.06 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1wfe s SER 81 CO -0.17 -1.35 0.00 0.61 0.41 0.00 0.00 173.24 172.73 1wfe n GLY 82 N -2.27 -0.76 3.70 3.44 0.00 -1.26 -4.99 105.19 103.05 1wfe n GLY 82 Ca 0.15 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1wfe n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfe s PRO 83 N -1.76 4.30 0.52 1.61 0.04 -1.26 -5.03 135.00 133.43 1wfe s PRO 83 Ca 0.00 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.16 1wfe s PRO 83 Cb 0.00 -3.41 0.06 0.00 0.04 0.00 0.00 34.50 31.19 1wfe s PRO 83 CO 0.00 -0.50 0.68 -1.54 0.04 0.00 0.00 177.00 175.68 1wfe s SER 84 N 1.50 5.23 0.12 6.66 1.04 -1.26 -5.13 113.70 121.87 1wfe s SER 84 Ca 0.64 -0.74 0.05 0.00 0.48 0.00 0.00 55.95 56.38 1wfe s SER 84 Cb -0.34 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 1wfe s SER 84 CO 0.29 -1.12 0.06 -0.55 0.98 0.00 0.00 173.24 172.89 1wfe s SER 85 N -4.52 5.24 0.00 7.02 0.15 -1.26 -5.31 113.70 115.01 1wfe s SER 85 Ca 0.57 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1wfe s SER 85 Cb -0.07 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.94 1wfe s SER 85 CO 0.35 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.54