#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 -0.44 -0.25 1.61 1.04 -1.26 -5.17 113.70 109.23 1wfe s SER 2 Ca 0.00 0.32 -0.15 0.00 0.48 0.00 0.00 55.95 56.60 1wfe s SER 2 Cb 0.00 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.59 1wfe s SER 2 CO 0.00 -0.52 0.61 -0.94 0.98 0.00 0.00 173.24 173.37 1wfe s SER 3 N -1.65 -0.81 0.00 7.02 1.04 -1.26 -5.17 113.70 112.88 1wfe s SER 3 Ca -0.01 1.33 0.00 0.00 0.48 0.00 0.00 55.95 57.75 1wfe s SER 3 Cb -0.01 1.22 0.00 0.00 0.10 0.00 0.00 66.02 67.33 1wfe s SER 3 CO -0.01 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1wfe n GLY 4 N 4.13 2.26 3.33 7.32 0.00 -1.26 -5.18 105.19 115.79 1wfe n GLY 4 Ca -0.20 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 1wfe n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfe s SER 5 N 0.00 -0.29 -0.28 1.61 0.01 -1.26 -5.17 113.70 108.32 1wfe s SER 5 Ca 0.00 -0.16 -0.22 0.00 1.31 0.00 0.00 55.95 56.88 1wfe s SER 5 Cb 0.00 0.47 0.10 0.00 0.21 0.00 0.00 66.02 66.80 1wfe s SER 5 CO 0.00 -0.80 0.86 -0.55 0.41 0.00 0.00 173.24 173.17 1wfe s SER 6 N -2.50 -0.65 0.30 2.44 0.15 -1.26 -5.18 113.70 107.00 1wfe s SER 6 Ca -0.00 1.16 -0.20 0.00 0.70 0.00 0.00 55.95 57.61 1wfe s SER 6 Cb 0.01 1.21 0.04 0.00 -1.71 0.00 0.00 66.02 65.57 1wfe s SER 6 CO -0.08 -0.19 0.79 -0.83 1.20 0.00 0.00 173.24 174.12 1wfe s GLY 7 N 0.75 0.07 -0.13 9.45 0.00 -1.26 -5.18 107.32 111.01 1wfe s GLY 7 Ca -0.02 -0.42 -0.30 0.00 0.00 0.00 0.00 44.72 43.97 1wfe s GLY 7 CO -0.08 -0.01 0.89 0.00 0.00 0.00 0.00 173.10 173.90 1wfe s SER 9 N -1.01 -0.84 0.21 0.00 1.04 -1.26 -5.18 113.70 106.66 1wfe s SER 9 Ca -0.04 1.31 0.06 0.00 0.48 0.00 0.00 55.95 57.76 1wfe s SER 9 Cb -0.01 1.47 -0.05 0.00 0.10 0.00 0.00 66.02 67.53 1wfe s SER 9 CO 0.04 -0.20 -0.10 -1.83 0.98 0.00 0.00 173.24 172.13 1wfe s GLU 10 N 1.76 1.33 -0.02 4.02 -1.05 -1.26 -5.16 118.70 118.32 1wfe s GLU 10 Ca -0.09 -1.62 0.02 0.00 -0.15 0.00 0.00 54.97 53.13 1wfe s GLU 10 Cb -0.06 -0.97 0.01 0.00 -0.44 0.00 0.00 34.13 32.67 1wfe s GLU 10 CO -0.18 0.09 -0.06 0.08 0.95 0.00 0.00 175.26 176.14 1wfe s VAL 11 N -3.11 0.51 0.00 1.83 1.01 -1.26 -5.15 120.40 114.23 1wfe s VAL 11 Ca 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 1wfe s VAL 11 Cb 0.02 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 1wfe s VAL 11 CO 0.07 0.17 -0.00 0.20 0.00 0.00 0.00 175.10 175.54 1wfe s ASN 12 N 0.24 0.00 -0.24 3.32 -0.87 -1.26 -5.15 114.94 110.98 1wfe s ASN 12 Ca -0.03 -0.01 -0.28 0.00 -1.57 0.00 0.00 52.86 50.97 1wfe s ASN 12 Cb -0.07 0.00 0.16 0.00 -0.02 0.00 0.00 41.25 41.33 1wfe s ASN 12 CO -0.00 -0.00 1.22 0.54 -2.57 0.00 0.00 177.10 176.28 1wfe s VAL 13 N -0.02 0.00 -0.14 1.60 0.11 -1.26 -5.16 120.40 115.53 1wfe s VAL 13 Ca -0.00 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1wfe s VAL 13 Cb -0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1wfe s VAL 13 CO -0.00 0.00 -0.12 0.54 -3.33 0.00 0.00 175.10 172.19 1wfe s VAL 14 N -0.77 3.12 0.28 2.04 0.11 -1.26 -5.11 120.40 118.80 1wfe s VAL 14 Ca 0.04 -0.63 -0.19 0.00 -2.93 0.00 0.00 61.98 58.27 1wfe s VAL 14 Cb -0.02 -2.32 -0.09 0.00 -1.53 0.00 0.00 36.38 32.42 1wfe s VAL 14 CO -0.06 0.51 0.77 -0.54 -3.33 0.00 0.00 175.10 172.45 1wfe s LYS 15 N 0.47 4.22 -0.34 1.54 1.02 -1.26 -5.05 119.74 120.33 1wfe s LYS 15 Ca -0.09 0.88 -0.05 0.00 0.02 0.00 0.00 55.97 56.74 1wfe s LYS 15 Cb -0.16 -2.70 0.05 0.00 -0.52 0.00 0.00 37.83 34.51 1wfe s LYS 15 CO 0.04 0.29 0.09 -2.00 -0.92 0.00 0.00 175.35 172.85 1wfe s GLU 16 N -2.34 2.48 -0.13 1.68 2.12 -1.26 -5.06 118.70 116.18 1wfe s GLU 16 Ca 0.48 -1.31 -0.39 0.00 0.36 0.00 0.00 54.97 54.11 1wfe s GLU 16 Cb -0.15 -3.41 -0.16 0.00 0.26 0.00 0.00 34.13 30.68 1wfe s GLU 16 CO 0.20 -0.72 1.56 0.54 -0.54 0.00 0.00 175.26 176.30 1wfe n ARG 17 N 4.73 1.11 -1.49 4.30 1.74 -1.26 -4.91 116.66 120.87 1wfe n ARG 17 Ca -0.11 0.40 -0.32 0.00 -0.77 0.00 0.00 57.85 57.05 1wfe n ARG 17 Cb 0.44 -2.06 0.07 0.00 -1.02 0.00 0.00 32.46 29.88 1wfe n ARG 17 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wfe s PRO 18 N 2.21 2.51 -0.21 5.56 0.04 -1.26 -5.02 135.00 138.84 1wfe s PRO 18 Ca 0.93 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 63.12 1wfe s PRO 18 Cb -1.04 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 31.50 1wfe s PRO 18 CO 0.58 -1.46 -0.30 1.63 0.04 0.00 0.00 177.00 177.49 1wfe n LYS 19 N -3.00 0.48 -3.55 4.56 5.02 -1.26 -4.96 118.16 115.44 1wfe n LYS 19 Ca 0.10 0.21 -0.28 0.00 -2.02 0.00 0.00 58.31 56.31 1wfe n LYS 19 Cb 0.52 -1.31 -0.05 0.00 -0.02 0.00 0.00 35.03 34.17 1wfe n LYS 19 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wfe n THR 20 N -4.11 0.00 -1.24 -0.18 -2.24 -1.26 -4.58 114.28 100.67 1wfe n THR 20 Ca -0.37 0.00 -0.59 0.00 -2.27 0.00 0.00 64.05 60.82 1wfe n THR 20 Cb 0.72 -0.33 -0.12 0.00 -2.10 0.00 0.00 70.33 68.50 1wfe n THR 20 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wfe n ASP 21 N -1.51 0.75 -4.61 3.42 8.00 -1.26 -4.77 116.55 116.56 1wfe n ASP 21 Ca 0.08 0.68 -0.43 0.00 0.71 0.00 0.00 54.79 55.83 1wfe n ASP 21 Cb 0.33 -0.89 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 1wfe n ASP 21 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wfe s GLU 22 N 5.84 3.51 -0.55 -1.24 -6.30 -1.26 -4.91 118.70 113.79 1wfe s GLU 22 Ca 1.18 1.77 -0.27 0.00 -2.50 0.00 0.00 54.97 55.15 1wfe s GLU 22 Cb -1.48 -4.19 -0.02 0.00 0.00 0.00 0.00 34.13 28.44 1wfe s GLU 22 CO 0.65 -1.66 1.83 -1.01 0.02 0.00 0.00 175.26 175.10 1wfe s HIS 23 N 6.48 1.72 0.26 5.30 3.76 -1.26 -4.94 115.29 126.61 1wfe s HIS 23 Ca 0.83 0.76 -0.31 0.00 -0.15 0.00 0.00 55.06 56.20 1wfe s HIS 23 Cb -0.28 -4.10 -0.13 0.00 1.11 0.00 0.00 32.58 29.18 1wfe s HIS 23 CO 0.34 -2.41 1.44 1.63 -0.85 0.00 0.00 174.74 174.88 1wfe n LYS 24 N 8.99 2.20 -3.68 1.40 4.76 -1.26 -5.00 118.16 125.58 1wfe n LYS 24 Ca 0.21 0.78 -0.10 0.00 -2.87 0.00 0.00 58.31 56.34 1wfe n LYS 24 Cb 0.51 -2.46 -0.10 0.00 -1.84 0.00 0.00 35.03 31.13 1wfe n LYS 24 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1wfe s SER 25 N 0.29 -0.40 -0.12 4.39 0.01 -1.25 -3.88 113.70 112.73 1wfe s SER 25 Ca 0.66 0.95 -0.03 0.00 1.31 0.00 0.00 55.95 58.84 1wfe s SER 25 Cb -0.60 1.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.63 1wfe s SER 25 CO 0.50 -0.21 -0.00 -0.31 0.41 0.00 0.00 173.24 173.63 1wfe s TYR 26 N 1.95 3.12 0.15 2.43 1.51 -0.97 -4.87 117.35 120.67 1wfe s TYR 26 Ca -0.06 0.01 -0.28 0.00 -1.01 0.00 0.00 57.07 55.73 1wfe s TYR 26 Cb -0.10 -1.89 -0.07 0.00 -0.11 0.00 0.00 41.96 39.79 1wfe s TYR 26 CO -0.13 0.25 0.87 -1.54 -1.11 0.00 0.00 175.55 173.89 1wfe s SER 27 N -0.28 7.46 0.46 2.29 1.04 -1.26 -3.30 113.70 120.11 1wfe s SER 27 Ca 0.06 1.74 -0.23 0.00 0.48 0.00 0.00 55.95 58.00 1wfe s SER 27 Cb -0.12 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.37 1wfe s SER 27 CO 0.02 0.09 1.22 0.00 0.98 0.00 0.00 173.24 175.55 1wfe n SER 29 N -0.45 4.73 -4.77 0.00 7.64 0.48 -4.92 113.62 116.33 1wfe n SER 29 Ca 0.07 -3.66 -0.36 0.00 1.01 0.00 0.00 58.87 55.93 1wfe n SER 29 Cb 0.47 -0.86 -0.08 0.00 -1.01 0.00 0.00 64.21 62.73 1wfe n SER 29 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1wfe s PHE 30 N -3.44 3.41 -0.75 1.43 5.36 -1.26 -5.01 117.98 117.72 1wfe s PHE 30 Ca 0.59 0.34 -0.26 0.00 -0.96 0.00 0.00 56.93 56.64 1wfe s PHE 30 Cb 0.48 -1.95 -0.05 0.00 -0.34 0.00 0.00 43.02 41.16 1wfe s PHE 30 CO 0.07 0.52 2.01 0.21 -1.46 0.00 0.00 175.22 176.57 1wfe s LYS 31 N -0.58 2.43 0.00 10.12 2.20 -1.26 -2.49 119.74 130.17 1wfe s LYS 31 Ca 0.12 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1wfe s LYS 31 Cb -0.12 -4.74 0.00 0.00 -1.51 0.00 0.00 37.83 31.46 1wfe s LYS 31 CO 0.02 -3.25 0.00 0.41 -0.36 0.00 0.00 175.35 172.17 1wfe n GLY 32 N 6.35 1.43 2.93 5.54 0.00 -1.26 -5.13 105.19 115.04 1wfe n GLY 32 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 4.18 2.07 -4.30 0.00 -2.24 -1.26 -4.66 114.28 108.06 1wfe n THR 34 Ca -0.26 -3.90 -0.32 0.00 -2.27 0.00 0.00 64.05 57.30 1wfe n THR 34 Cb 0.52 -0.39 -0.09 0.00 -2.10 0.00 0.00 70.33 68.27 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 -3.61 4.94 0.37 3.42 1.11 -1.26 -4.99 116.67 116.65 1wfe s ASP 35 Ca 0.43 -0.09 0.04 0.00 0.18 0.00 0.00 52.55 53.11 1wfe s ASP 35 Cb 0.39 -1.23 -0.06 0.00 1.07 0.00 0.00 42.92 43.10 1wfe s ASP 35 CO -0.01 0.26 0.06 0.68 1.18 0.00 0.00 175.17 177.33 1wfe s VAL 36 N -1.10 1.23 0.12 -1.27 -7.23 -1.26 -2.72 120.40 108.16 1wfe s VAL 36 Ca 0.20 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.24 1wfe s VAL 36 Cb -0.11 -2.71 0.02 0.00 0.56 0.00 0.00 36.38 34.14 1wfe s VAL 36 CO 0.11 0.00 0.32 -1.61 -0.31 0.00 0.00 175.10 173.61 1wfe s GLU 37 N -3.83 1.01 0.20 4.82 0.41 -1.21 -4.90 118.70 115.20 1wfe s GLU 37 Ca 0.32 -0.84 -0.11 0.00 -0.41 0.00 0.00 54.97 53.93 1wfe s GLU 37 Cb 0.07 0.42 0.21 0.00 -1.78 0.00 0.00 34.13 33.05 1wfe s GLU 37 CO 0.15 -0.37 1.79 -0.07 -0.49 0.00 0.00 175.26 176.26 1wfe h LEU 38 N 2.50 0.44 0.00 1.80 3.38 -1.94 -2.57 115.31 118.92 1wfe h LEU 38 Ca -0.34 0.04 -0.46 0.00 0.09 0.00 0.00 57.88 57.21 1wfe h LEU 38 Cb 1.23 -0.04 0.07 0.00 0.09 0.00 0.00 40.66 42.01 1wfe h LEU 38 CO 0.50 0.29 0.08 1.33 0.09 0.00 0.00 178.44 180.72 1wfe n VAL 39 N -4.85 0.00 -3.86 1.22 0.24 -1.26 -4.42 118.33 105.40 1wfe n VAL 39 Ca 0.07 -1.63 -0.30 0.00 -2.04 0.00 0.00 64.34 60.44 1wfe n VAL 39 Cb 0.18 -0.82 -0.14 0.00 -1.47 0.00 0.00 33.84 31.58 1wfe n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wfe s ALA 40 N -3.08 2.50 -0.78 2.33 0.00 -1.26 -4.39 121.76 117.08 1wfe s ALA 40 Ca 0.65 -2.54 -0.25 0.00 0.00 0.00 0.00 51.96 49.81 1wfe s ALA 40 Cb -0.04 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 1wfe s ALA 40 CO 0.42 -1.86 1.87 0.08 0.00 0.00 0.00 175.76 176.27 1wfe s VAL 41 N 0.63 3.44 0.03 0.00 1.01 -1.25 -4.92 120.40 119.34 1wfe s VAL 41 Ca 0.14 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 1wfe s VAL 41 Cb -0.22 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1wfe s VAL 41 CO -0.08 -1.00 0.46 -0.63 0.00 0.00 0.00 175.10 173.85 1wfe s ILE 42 N 9.35 4.95 -0.17 2.22 -1.09 -1.26 -0.84 121.20 134.36 1wfe s ILE 42 Ca 0.67 0.91 -0.22 0.00 -2.23 0.00 0.00 60.65 59.79 1wfe s ILE 42 Cb -0.09 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1wfe s ILE 42 CO 0.08 0.54 0.67 0.00 -1.23 0.00 0.00 174.94 175.00 1wfe n PRO 44 N 4.85 0.49 -0.01 0.00 -0.04 -1.26 0.65 135.00 139.68 1wfe n PRO 44 Ca -0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1wfe n PRO 44 Cb 0.50 -1.22 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.84 0.54 4.02 -1.26 -4.75 117.16 115.83 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 -0.17 0.17 0.00 -0.02 0.00 0.00 39.34 39.34 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 -1.70 -6.89 -4.34 0.00 1.02 0.21 -4.98 120.64 103.96 1wfe n GLU 47 Ca 0.04 0.83 -0.24 0.00 -0.02 0.00 0.00 57.16 57.78 1wfe n GLU 47 Cb 0.37 -5.83 -0.12 0.00 -0.02 0.00 0.00 31.44 25.84 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 -5.58 1.29 -0.04 3.49 1.02 -1.25 -4.80 119.74 113.88 1wfe s LYS 48 Ca 0.15 -1.35 -0.20 0.00 0.02 0.00 0.00 55.97 54.59 1wfe s LYS 48 Cb -0.06 -1.52 -0.05 0.00 -0.52 0.00 0.00 37.83 35.68 1wfe s LYS 48 CO 0.72 0.33 0.57 1.21 -0.92 0.00 0.00 175.35 177.26 1wfe s ASN 49 N -2.37 6.90 0.26 2.83 2.47 -1.26 -0.88 114.94 122.90 1wfe s ASN 49 Ca 0.14 1.07 0.02 0.00 0.42 0.00 0.00 52.86 54.51 1wfe s ASN 49 Cb -0.08 -2.35 -0.03 0.00 -1.45 0.00 0.00 41.25 37.34 1wfe s ASN 49 CO 0.06 0.07 0.22 -0.36 -3.72 0.00 0.00 177.10 173.38 1wfe s PHE 50 N 0.05 1.39 0.21 0.43 0.08 -0.02 -0.39 117.98 119.73 1wfe s PHE 50 Ca 0.30 -1.48 -0.06 0.00 0.12 0.00 0.00 56.93 55.82 1wfe s PHE 50 Cb -0.17 -0.58 -0.06 0.00 -0.57 0.00 0.00 43.02 41.64 1wfe s PHE 50 CO 0.15 -0.78 0.47 0.00 -0.10 0.00 0.00 175.22 174.97 1wfe n LEU 52 N -0.30 0.27 -0.18 0.00 7.99 -1.26 0.19 117.00 123.71 1wfe n LEU 52 Ca -0.02 1.51 -0.08 0.00 -0.01 0.00 0.00 56.01 57.41 1wfe n LEU 52 Cb 0.53 -0.71 0.01 0.00 -0.11 0.00 0.00 43.42 43.14 1wfe n LEU 52 CO 0.47 -1.67 0.97 0.03 -1.51 0.00 0.00 177.39 175.68 1wfe h ARG 53 N 0.00 0.76 -0.77 3.23 2.47 -2.02 -2.87 114.38 115.18 1wfe h ARG 53 Ca 0.74 -0.13 -0.45 0.00 -1.26 0.00 0.00 59.98 58.88 1wfe h ARG 53 Cb 1.93 -0.13 -0.25 0.00 -1.65 0.00 0.00 29.97 29.87 1wfe h ARG 53 CO -0.72 0.66 0.32 0.72 0.56 0.00 0.00 179.97 181.51 1wfe n HIS 54 N -4.56 2.45 0.07 3.04 8.25 0.51 -4.56 115.22 120.42 1wfe n HIS 54 Ca 0.02 -2.10 -0.17 0.00 -0.26 0.00 0.00 57.72 55.21 1wfe n HIS 54 Cb 0.15 -0.86 -0.09 0.00 1.12 0.00 0.00 29.99 30.31 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 1.36 0.52 0.00 -0.41 0.11 0.01 -3.40 114.38 112.57 1wfe h ARG 55 Ca 0.47 -0.61 -0.16 0.00 0.10 0.00 0.00 59.98 59.78 1wfe h ARG 55 Cb 1.86 0.19 0.09 0.00 1.11 0.00 0.00 29.97 33.23 1wfe h ARG 55 CO 0.96 1.24 -0.08 1.58 0.10 0.00 0.00 179.97 183.77 1wfe n HIS 56 N -3.76 -2.50 -0.11 4.08 -0.00 -1.26 -4.89 115.22 106.77 1wfe n HIS 56 Ca -0.10 -0.27 -0.25 0.00 0.46 0.00 0.00 57.72 57.56 1wfe n HIS 56 Cb 0.90 -0.71 -0.11 0.00 -0.12 0.00 0.00 29.99 29.95 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 -2.87 0.60 -0.46 1.57 6.02 -1.26 -4.34 117.38 116.65 1wfe n GLN 57 Ca 0.06 0.36 -0.05 0.00 -0.01 0.00 0.00 57.00 57.36 1wfe n GLN 57 Cb 0.26 -1.60 0.02 0.00 1.02 0.00 0.00 30.24 29.94 1wfe n GLN 57 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1wfe n SER 58 N -4.16 4.66 0.00 1.08 2.88 -1.26 -2.96 113.62 113.86 1wfe n SER 58 Ca -0.44 -2.48 0.00 0.00 -1.33 0.00 0.00 58.87 54.62 1wfe n SER 58 Cb 0.84 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1wfe n SER 58 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1wfe n ASP 59 N 0.74 2.90 -1.13 -3.46 5.75 -1.26 -4.77 116.55 115.32 1wfe n ASP 59 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1wfe n ASP 59 Cb 0.60 0.30 0.23 0.00 -1.03 0.00 0.00 41.12 41.21 1wfe n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wfe n HIS 60 N -1.35 1.19 -4.01 2.11 1.44 -1.21 -4.92 115.22 108.47 1wfe n HIS 60 Ca 0.00 -1.29 -0.28 0.00 -2.01 0.00 0.00 57.72 54.14 1wfe n HIS 60 Cb 0.28 -0.45 -0.02 0.00 0.12 0.00 0.00 29.99 29.92 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 -0.83 -1.49 -4.45 4.39 -0.08 -1.25 -4.71 116.55 108.12 1wfe n ASP 61 Ca 0.30 -0.98 -0.60 0.00 -1.51 0.00 0.00 54.79 52.00 1wfe n ASP 61 Cb 1.02 -3.10 -0.10 0.00 2.34 0.00 0.00 41.12 41.28 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 8.52 0.35 -0.45 0.00 4.11 -1.93 -1.69 114.58 123.49 1wfe h GLU 63 Ca -0.25 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.15 1wfe h GLU 63 Cb 1.38 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1wfe h GLU 63 CO 1.04 0.23 0.24 0.87 0.07 0.00 0.00 179.01 181.46 1wfe h LYS 64 N 0.37 0.64 -6.10 1.06 1.79 -1.91 -3.45 116.57 108.96 1wfe h LYS 64 Ca 0.24 -0.08 -0.52 0.00 -2.18 0.00 0.00 60.65 58.11 1wfe h LYS 64 Cb 0.46 -0.12 0.25 0.00 -1.58 0.00 0.00 32.23 31.23 1wfe h LYS 64 CO -0.06 0.52 -2.07 1.28 -1.08 0.00 0.00 179.45 178.04 1wfe n LEU 65 N -4.68 -4.18 -1.97 2.94 4.77 -0.64 -4.77 117.00 108.48 1wfe n LEU 65 Ca 0.01 0.10 -0.18 0.00 -0.03 0.00 0.00 56.01 55.91 1wfe n LEU 65 Cb 0.09 -0.70 0.02 0.00 -2.33 0.00 0.00 43.42 40.50 1wfe n LEU 65 CO 0.36 -4.28 1.27 -1.84 -1.33 0.00 0.00 177.39 171.57 1wfe n GLU 66 N 1.88 1.88 -3.34 3.23 0.28 -1.26 -4.93 120.64 118.38 1wfe n GLU 66 Ca -0.01 -1.65 -0.37 0.00 -0.16 0.00 0.00 57.16 54.97 1wfe n GLU 66 Cb 0.64 -1.68 -0.06 0.00 1.43 0.00 0.00 31.44 31.77 1wfe n GLU 66 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wfe s VAL 67 N -2.24 4.83 0.26 3.84 0.11 -1.26 -5.06 120.40 120.88 1wfe s VAL 67 Ca 0.35 0.96 -0.30 0.00 -2.93 0.00 0.00 61.98 60.06 1wfe s VAL 67 Cb 0.26 -3.79 -0.09 0.00 -1.53 0.00 0.00 36.38 31.23 1wfe s VAL 67 CO -0.03 0.37 1.04 0.00 -3.33 0.00 0.00 175.10 173.15 1wfe s ALA 68 N -1.32 3.38 -0.00 1.54 0.00 -1.26 -5.05 121.76 119.04 1wfe s ALA 68 Ca 0.34 0.79 0.06 0.00 0.00 0.00 0.00 51.96 53.16 1wfe s ALA 68 Cb -0.17 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1wfe s ALA 68 CO 0.19 -0.02 -0.20 0.15 0.00 0.00 0.00 175.76 175.87 1wfe s LYS 69 N -1.33 2.19 0.00 0.00 3.01 -1.26 -5.09 119.74 117.26 1wfe s LYS 69 Ca 0.43 -0.89 0.00 0.00 -1.01 0.00 0.00 55.97 54.50 1wfe s LYS 69 Cb -0.30 -2.18 0.00 0.00 -1.01 0.00 0.00 37.83 34.34 1wfe s LYS 69 CO 0.38 0.57 0.18 -0.35 0.51 0.00 0.00 175.35 176.63 1wfe n PRO 70 N 2.06 0.00 -4.40 -1.68 -0.04 -1.26 -4.87 135.00 124.82 1wfe n PRO 70 Ca -0.16 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.92 1wfe n PRO 70 Cb 0.52 -0.60 -0.07 0.00 -0.04 0.00 0.00 33.50 33.30 1wfe n PRO 70 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1wfe n ARG 71 N -0.35 -1.40 -0.30 0.54 1.85 -1.26 -4.74 116.66 111.00 1wfe n ARG 71 Ca 0.00 0.19 0.16 0.00 -1.00 0.00 0.00 57.85 57.20 1wfe n ARG 71 Cb 0.00 -4.52 0.30 0.00 -1.05 0.00 0.00 32.46 27.19 1wfe n ARG 71 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1wfe n MET 72 N -4.27 -0.07 -1.59 2.89 1.56 -1.26 -4.16 117.12 110.23 1wfe n MET 72 Ca -0.02 1.30 -0.44 0.00 -0.27 0.00 0.00 57.70 58.27 1wfe n MET 72 Cb 0.53 -2.11 -0.03 0.00 2.15 0.00 0.00 33.22 33.75 1wfe n MET 72 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1wfe n ALA 73 N -3.07 1.68 -1.93 -5.12 0.00 -1.26 -4.95 120.51 105.87 1wfe n ALA 73 Ca 0.23 -0.19 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 1wfe n ALA 73 Cb 0.76 -2.86 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 1wfe n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wfe s ALA 74 N 7.86 3.14 0.09 0.00 0.00 -1.26 -5.08 121.76 126.51 1wfe s ALA 74 Ca 1.01 0.26 0.07 0.00 0.00 0.00 0.00 51.96 53.30 1wfe s ALA 74 Cb -0.40 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1wfe s ALA 74 CO 0.37 0.18 -0.10 -0.08 0.00 0.00 0.00 175.76 176.13 1wfe s THR 75 N -2.14 3.34 0.81 0.00 -1.32 -1.26 -5.12 115.64 109.96 1wfe s THR 75 Ca 0.59 -1.22 -0.11 0.00 -1.21 0.00 0.00 61.69 59.74 1wfe s THR 75 Cb -0.09 -2.54 0.08 0.00 -1.51 0.00 0.00 72.50 68.44 1wfe s THR 75 CO 0.16 0.15 1.12 -1.58 -2.21 0.00 0.00 174.62 172.25 1wfe s GLN 76 N -2.08 1.86 -0.10 7.08 2.00 -1.26 -5.06 119.66 122.10 1wfe s GLN 76 Ca 0.20 1.33 -0.26 0.00 -2.00 0.00 0.00 55.36 54.64 1wfe s GLN 76 Cb -0.11 -1.84 0.06 0.00 0.80 0.00 0.00 33.01 31.92 1wfe s GLN 76 CO 0.12 -1.97 0.61 0.21 -0.50 0.00 0.00 175.29 173.77 1wfe s LYS 77 N -4.74 0.91 -0.55 1.67 2.20 -1.26 -5.10 119.74 112.87 1wfe s LYS 77 Ca 0.64 0.37 -0.26 0.00 -0.36 0.00 0.00 55.97 56.36 1wfe s LYS 77 Cb -0.20 0.43 -0.06 0.00 -1.51 0.00 0.00 37.83 36.49 1wfe s LYS 77 CO 0.55 -0.24 2.28 -0.51 -0.36 0.00 0.00 175.35 177.08 1wfe s LEU 78 N -0.76 3.34 -0.08 5.43 2.01 -1.26 -4.90 118.68 122.45 1wfe s LEU 78 Ca -0.08 0.80 -0.04 0.00 0.01 0.00 0.00 54.13 54.82 1wfe s LEU 78 Cb -0.02 -2.51 0.04 0.00 0.01 0.00 0.00 46.19 43.71 1wfe s LEU 78 CO 0.06 -2.85 0.19 -0.69 1.01 0.00 0.00 176.35 174.08 1wfe s VAL 79 N 11.69 -0.06 -0.30 -1.59 1.01 -1.26 -5.13 120.40 124.76 1wfe s VAL 79 Ca 0.90 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.94 1wfe s VAL 79 Cb -0.15 -0.31 0.15 0.00 0.00 0.00 0.00 36.38 36.07 1wfe s VAL 79 CO 0.23 0.07 0.78 0.00 0.00 0.00 0.00 175.10 176.18 1wfe s ARG 80 N 1.28 0.46 -0.11 2.72 1.70 -1.26 -5.07 118.95 118.68 1wfe s ARG 80 Ca -0.09 1.11 -0.01 0.00 -0.47 0.00 0.00 55.73 56.27 1wfe s ARG 80 Cb -0.11 0.67 -0.00 0.00 -0.57 0.00 0.00 34.95 34.93 1wfe s ARG 80 CO -0.07 -0.21 -0.03 0.77 -1.08 0.00 0.00 175.30 174.69 1wfe h SER 81 N 7.83 0.00 -2.45 -2.89 0.02 -2.05 -3.51 113.55 110.50 1wfe h SER 81 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1wfe h SER 81 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1wfe h SER 81 CO 0.10 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 176.93 1wfe n GLY 82 N 1.76 2.79 3.75 -3.77 0.00 -1.26 -5.12 105.19 103.34 1wfe n GLY 82 Ca -0.01 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.01 4.43 -0.28 1.61 0.04 -1.26 -5.03 135.00 132.50 1wfe s PRO 83 Ca 0.00 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 62.86 1wfe s PRO 83 Cb 0.00 -3.16 0.10 0.00 0.04 0.00 0.00 34.50 31.48 1wfe s PRO 83 CO 0.00 -0.15 0.87 -1.54 0.04 0.00 0.00 177.00 176.22 1wfe s SER 84 N -0.12 -0.63 0.01 6.66 1.04 -1.26 -5.17 113.70 114.24 1wfe s SER 84 Ca 0.52 1.16 0.04 0.00 0.48 0.00 0.00 55.95 58.15 1wfe s SER 84 Cb -0.37 1.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.93 1wfe s SER 84 CO 0.43 -0.20 -0.14 -0.44 0.98 0.00 0.00 173.24 173.88 1wfe s SER 85 N 0.56 1.63 0.00 7.02 0.01 -1.26 -5.29 113.70 116.37 1wfe s SER 85 Ca -0.01 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1wfe s SER 85 Cb -0.05 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1wfe s SER 85 CO -0.06 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.30