#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 0.10 0.44 1.61 0.15 -1.26 -5.18 113.70 109.56 1wfe s SER 2 Ca 0.00 -1.17 0.03 0.00 0.70 0.00 0.00 55.95 55.51 1wfe s SER 2 Cb 0.00 0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1wfe s SER 2 CO 0.00 -0.90 0.08 -0.94 1.20 0.00 0.00 173.24 172.69 1wfe s SER 3 N -3.08 3.21 -0.44 5.45 1.04 -1.26 -5.12 113.70 113.51 1wfe s SER 3 Ca 0.29 -1.65 0.06 0.00 0.48 0.00 0.00 55.95 55.14 1wfe s SER 3 Cb 0.05 0.46 0.22 0.00 0.10 0.00 0.00 66.02 66.85 1wfe s SER 3 CO 0.08 -0.88 0.59 0.61 0.98 0.00 0.00 173.24 174.62 1wfe n GLY 4 N -1.01 1.53 3.54 7.32 0.00 -1.26 -5.12 105.19 110.20 1wfe n GLY 4 Ca -0.10 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 1wfe n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfe s SER 5 N -0.72 -0.48 0.79 1.61 0.15 -1.26 -5.17 113.70 108.61 1wfe s SER 5 Ca 0.33 0.46 -0.11 0.00 0.70 0.00 0.00 55.95 57.33 1wfe s SER 5 Cb 0.13 0.41 0.06 0.00 -1.71 0.00 0.00 66.02 64.91 1wfe s SER 5 CO -0.16 -0.49 1.10 -0.94 1.20 0.00 0.00 173.24 173.95 1wfe s SER 6 N -1.34 4.62 0.74 5.45 1.04 -1.26 -5.05 113.70 117.90 1wfe s SER 6 Ca -0.04 1.26 -0.11 0.00 0.48 0.00 0.00 55.95 57.53 1wfe s SER 6 Cb -0.00 -1.99 0.04 0.00 0.10 0.00 0.00 66.02 64.16 1wfe s SER 6 CO 0.03 -1.88 1.12 -0.83 0.98 0.00 0.00 173.24 172.66 1wfe s GLY 7 N -4.00 1.61 0.04 7.32 0.00 -1.26 -5.10 107.32 105.94 1wfe s GLY 7 Ca 0.60 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.87 1wfe s GLY 7 CO 0.54 -0.07 -0.08 0.00 0.00 0.00 0.00 173.10 173.48 1wfe s SER 9 N -1.46 2.12 0.46 0.00 1.04 -1.26 -5.14 113.70 109.46 1wfe s SER 9 Ca -0.08 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1wfe s SER 9 Cb -0.09 -0.67 -0.00 0.00 0.10 0.00 0.00 66.02 65.35 1wfe s SER 9 CO 0.00 0.13 0.68 -0.70 0.98 0.00 0.00 173.24 174.34 1wfe s GLU 10 N 0.15 3.05 -0.29 4.02 2.56 -1.26 -5.11 118.70 121.82 1wfe s GLU 10 Ca -0.06 -0.47 -0.14 0.00 0.00 0.00 0.00 54.97 54.30 1wfe s GLU 10 Cb -0.12 -2.54 0.11 0.00 2.00 0.00 0.00 34.13 33.57 1wfe s GLU 10 CO 0.03 -0.30 0.71 0.54 -0.56 0.00 0.00 175.26 175.68 1wfe s VAL 11 N -2.58 -0.37 -0.16 3.70 0.11 -1.26 -5.17 120.40 114.68 1wfe s VAL 11 Ca 0.49 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.24 1wfe s VAL 11 Cb -0.10 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.88 1wfe s VAL 11 CO 0.38 0.00 1.03 0.54 -3.33 0.00 0.00 175.10 173.73 1wfe s ASN 12 N 2.09 -0.32 -0.27 3.54 2.20 -1.26 -5.18 114.94 115.73 1wfe s ASN 12 Ca -0.08 0.31 -0.26 0.00 -0.94 0.00 0.00 52.86 51.88 1wfe s ASN 12 Cb -0.07 0.28 0.16 0.00 -2.00 0.00 0.00 41.25 39.61 1wfe s ASN 12 CO -0.19 -0.33 1.24 0.54 -2.94 0.00 0.00 177.10 175.41 1wfe s VAL 13 N -1.36 0.00 0.36 3.54 0.11 -1.26 -5.16 120.40 116.62 1wfe s VAL 13 Ca 0.01 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 1wfe s VAL 13 Cb -0.01 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.74 1wfe s VAL 13 CO -0.01 0.00 0.93 0.68 -3.33 0.00 0.00 175.10 173.37 1wfe s VAL 14 N -0.18 4.32 0.01 2.04 -7.23 -1.26 -5.05 120.40 113.05 1wfe s VAL 14 Ca 0.05 1.63 -0.17 0.00 -1.81 0.00 0.00 61.98 61.68 1wfe s VAL 14 Cb -0.04 -3.83 -0.06 0.00 0.56 0.00 0.00 36.38 33.01 1wfe s VAL 14 CO -0.09 -0.04 0.49 -0.54 -0.31 0.00 0.00 175.10 174.60 1wfe s LYS 15 N -2.51 4.10 0.17 4.82 -0.14 -1.26 -5.03 119.74 119.90 1wfe s LYS 15 Ca 0.54 0.55 -0.32 0.00 -1.36 0.00 0.00 55.97 55.39 1wfe s LYS 15 Cb -0.14 -3.26 -0.12 0.00 -1.68 0.00 0.00 37.83 32.63 1wfe s LYS 15 CO 0.19 0.58 1.76 -1.91 -0.76 0.00 0.00 175.35 175.22 1wfe n GLU 16 N 2.08 2.75 -2.91 1.68 4.07 -1.26 -4.94 120.64 122.11 1wfe n GLU 16 Ca -0.11 1.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.57 1wfe n GLU 16 Cb 0.52 -2.86 -0.04 0.00 -0.06 0.00 0.00 31.44 29.00 1wfe n GLU 16 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1wfe s ARG 17 N 1.75 4.22 -0.11 5.31 3.00 -1.26 -5.01 118.95 126.84 1wfe s ARG 17 Ca 0.78 0.93 -0.29 0.00 0.00 0.00 0.00 55.73 57.15 1wfe s ARG 17 Cb -0.51 -3.62 -0.04 0.00 0.00 0.00 0.00 34.95 30.78 1wfe s ARG 17 CO 0.34 -0.44 1.53 -1.25 0.00 0.00 0.00 175.30 175.48 1wfe s PRO 18 N 2.57 4.15 -0.31 3.54 0.04 -1.26 -4.96 135.00 138.77 1wfe s PRO 18 Ca 0.35 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 63.07 1wfe s PRO 18 Cb -0.16 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1wfe s PRO 18 CO 0.09 -0.85 1.31 0.15 0.04 0.00 0.00 177.00 177.73 1wfe s LYS 19 N 3.95 3.89 0.46 4.56 1.02 -1.26 -5.02 119.74 127.34 1wfe s LYS 19 Ca 0.67 1.23 0.08 0.00 0.02 0.00 0.00 55.97 57.97 1wfe s LYS 19 Cb -0.29 -3.89 0.03 0.00 -0.52 0.00 0.00 37.83 33.16 1wfe s LYS 19 CO 0.25 -1.15 0.61 0.95 -0.92 0.00 0.00 175.35 175.08 1wfe s THR 20 N 4.44 2.76 0.16 2.17 -4.23 -1.26 -5.14 115.64 114.55 1wfe s THR 20 Ca 0.57 -1.03 0.06 0.00 -1.18 0.00 0.00 61.69 60.11 1wfe s THR 20 Cb -0.16 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 1wfe s THR 20 CO 0.24 0.00 -0.13 -0.62 -0.54 0.00 0.00 174.62 173.57 1wfe s ASP 21 N -4.41 2.16 -0.45 3.99 2.15 -1.26 -5.12 116.67 113.74 1wfe s ASP 21 Ca 0.56 -0.95 -0.07 0.00 0.43 0.00 0.00 52.55 52.51 1wfe s ASP 21 Cb -0.08 -0.08 0.11 0.00 -0.30 0.00 0.00 42.92 42.57 1wfe s ASP 21 CO 0.34 -0.21 0.29 -0.70 -0.17 0.00 0.00 175.17 174.72 1wfe s GLU 22 N -3.37 2.36 -0.12 4.34 2.12 -1.26 -5.05 118.70 117.72 1wfe s GLU 22 Ca 0.16 -1.74 -0.01 0.00 0.36 0.00 0.00 54.97 53.75 1wfe s GLU 22 Cb -0.01 -3.80 0.03 0.00 0.26 0.00 0.00 34.13 30.61 1wfe s GLU 22 CO 0.04 -1.13 -0.05 -1.01 -0.54 0.00 0.00 175.26 172.57 1wfe s HIS 23 N 1.31 1.35 0.35 5.30 3.76 -1.26 -5.14 115.29 120.97 1wfe s HIS 23 Ca 0.06 -0.71 -0.14 0.00 -0.15 0.00 0.00 55.06 54.12 1wfe s HIS 23 Cb -0.25 -1.16 -0.08 0.00 1.11 0.00 0.00 32.58 32.20 1wfe s HIS 23 CO -0.01 -0.50 0.76 0.15 -0.85 0.00 0.00 174.74 174.28 1wfe s LYS 24 N 1.75 3.94 -0.04 1.40 1.02 -1.26 -5.09 119.74 121.47 1wfe s LYS 24 Ca 0.04 0.63 -0.00 0.00 0.02 0.00 0.00 55.97 56.66 1wfe s LYS 24 Cb -0.13 -2.40 0.03 0.00 -0.52 0.00 0.00 37.83 34.80 1wfe s LYS 24 CO -0.08 0.09 0.01 -1.54 -0.92 0.00 0.00 175.35 172.91 1wfe s SER 25 N -2.54 0.72 -0.04 2.83 1.04 -1.26 -4.00 113.70 110.45 1wfe s SER 25 Ca 0.54 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.98 1wfe s SER 25 Cb -0.10 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.75 1wfe s SER 25 CO 0.21 -0.14 -0.11 -0.31 0.98 0.00 0.00 173.24 173.87 1wfe s TYR 26 N 1.37 2.79 -0.10 5.02 1.51 -1.02 -4.92 117.35 122.00 1wfe s TYR 26 Ca -0.05 -0.09 -0.19 0.00 -1.01 0.00 0.00 57.07 55.73 1wfe s TYR 26 Cb -0.13 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1wfe s TYR 26 CO -0.03 0.27 0.53 -1.54 -1.11 0.00 0.00 175.55 173.67 1wfe s SER 27 N -0.93 6.76 0.50 2.29 1.04 -1.26 -2.91 113.70 119.20 1wfe s SER 27 Ca 0.13 0.91 -0.22 0.00 0.48 0.00 0.00 55.95 57.24 1wfe s SER 27 Cb -0.11 -2.31 -0.07 0.00 0.10 0.00 0.00 66.02 63.62 1wfe s SER 27 CO 0.02 -0.01 1.15 0.00 0.98 0.00 0.00 173.24 175.38 1wfe n SER 29 N -0.29 5.65 -4.77 0.00 2.88 0.14 -4.94 113.62 112.29 1wfe n SER 29 Ca 0.10 -3.75 -0.29 0.00 -1.33 0.00 0.00 58.87 53.60 1wfe n SER 29 Cb 0.43 -0.78 -0.06 0.00 -0.75 0.00 0.00 64.21 63.04 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 -3.60 3.13 -0.81 0.66 5.36 -1.26 -4.97 117.98 116.48 1wfe s PHE 30 Ca 0.58 0.02 -0.26 0.00 -0.96 0.00 0.00 56.93 56.31 1wfe s PHE 30 Cb 0.47 -1.56 0.02 0.00 -0.34 0.00 0.00 43.02 41.61 1wfe s PHE 30 CO 0.02 0.51 1.49 0.21 -1.46 0.00 0.00 175.22 176.00 1wfe s LYS 31 N -2.66 3.14 0.00 10.12 2.20 -1.26 -3.37 119.74 127.91 1wfe s LYS 31 Ca 0.29 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 1wfe s LYS 31 Cb -0.11 -4.62 0.00 0.00 -1.51 0.00 0.00 37.83 31.58 1wfe s LYS 31 CO 0.22 -2.38 0.00 0.41 -0.36 0.00 0.00 175.35 173.23 1wfe n GLY 32 N 5.99 0.96 3.00 5.54 0.00 -1.26 -5.13 105.19 114.28 1wfe n GLY 32 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 4.52 2.21 -4.12 0.00 -2.24 -1.26 -4.70 114.28 108.69 1wfe n THR 34 Ca -0.20 -3.88 -0.30 0.00 -2.27 0.00 0.00 64.05 57.40 1wfe n THR 34 Cb 0.52 -0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 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 -3.64 5.07 0.32 3.42 1.01 -1.26 -5.00 116.67 116.58 1wfe s ASP 35 Ca 0.45 -0.18 0.08 0.00 0.71 0.00 0.00 52.55 53.61 1wfe s ASP 35 Cb 0.39 -1.22 -0.06 0.00 1.01 0.00 0.00 42.92 43.04 1wfe s ASP 35 CO 0.02 0.16 -0.06 0.68 0.21 0.00 0.00 175.17 176.18 1wfe s VAL 36 N -1.36 1.89 0.02 -1.27 -7.23 -1.26 -2.61 120.40 108.58 1wfe s VAL 36 Ca 0.26 -2.14 -0.07 0.00 -1.81 0.00 0.00 61.98 58.22 1wfe s VAL 36 Cb -0.11 -2.59 -0.00 0.00 0.56 0.00 0.00 36.38 34.23 1wfe s VAL 36 CO 0.19 -0.22 0.14 -1.61 -0.31 0.00 0.00 175.10 173.29 1wfe s GLU 37 N -3.69 0.54 0.18 4.82 8.01 -1.14 -4.93 118.70 122.49 1wfe s GLU 37 Ca 0.32 -0.51 -0.14 0.00 0.01 0.00 0.00 54.97 54.64 1wfe s GLU 37 Cb 0.04 0.22 0.15 0.00 -4.31 0.00 0.00 34.13 30.23 1wfe s GLU 37 CO 0.14 -0.14 1.72 -0.07 0.01 0.00 0.00 175.26 176.93 1wfe h LEU 38 N 4.01 0.02-10.69 1.80 3.38 -1.93 -2.72 115.31 109.18 1wfe h LEU 38 Ca -0.31 0.08 -0.46 0.00 0.09 0.00 0.00 57.88 57.27 1wfe h LEU 38 Cb 1.19 0.10 0.09 0.00 0.09 0.00 0.00 40.66 42.13 1wfe h LEU 38 CO 0.44 0.04 0.14 0.68 0.09 0.00 0.00 178.44 179.83 1wfe s VAL 39 N -6.15 2.17 -0.38 1.22 -7.23 -1.26 -4.38 120.40 104.39 1wfe s VAL 39 Ca -0.13 -0.51 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 1wfe s VAL 39 Cb 0.14 -2.66 0.11 0.00 0.56 0.00 0.00 36.38 34.53 1wfe s VAL 39 CO 0.72 0.00 0.12 0.00 -0.31 0.00 0.00 175.10 175.64 1wfe s ALA 40 N -3.20 2.63 -0.69 1.32 0.00 -1.26 -4.50 121.76 116.05 1wfe s ALA 40 Ca 0.66 -2.53 -0.27 0.00 0.00 0.00 0.00 51.96 49.82 1wfe s ALA 40 Cb -0.06 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.14 1wfe s ALA 40 CO 0.45 -1.80 1.48 0.08 0.00 0.00 0.00 175.76 175.98 1wfe s VAL 41 N 0.73 3.60 0.06 0.00 1.01 -1.25 -4.94 120.40 119.61 1wfe s VAL 41 Ca 0.13 0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 1wfe s VAL 41 Cb -0.21 -4.57 -0.06 0.00 0.00 0.00 0.00 36.38 31.55 1wfe s VAL 41 CO -0.09 -1.51 0.40 -0.63 0.00 0.00 0.00 175.10 173.27 1wfe s ILE 42 N 6.89 5.07 -0.18 2.22 -1.09 -1.26 -0.70 121.20 132.16 1wfe s ILE 42 Ca 0.47 0.58 -0.16 0.00 -2.23 0.00 0.00 60.65 59.30 1wfe s ILE 42 Cb -0.10 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1wfe s ILE 42 CO 0.17 0.37 0.40 0.00 -1.23 0.00 0.00 174.94 174.66 1wfe n PRO 44 N 4.26 0.49 -0.00 0.00 -0.04 -1.26 0.59 135.00 139.03 1wfe n PRO 44 Ca -0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 1wfe n PRO 44 Cb 0.51 -1.20 -0.01 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.70 0.00 1.10 0.54 4.02 -1.26 -4.75 117.16 116.10 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 -0.13 0.27 0.00 -0.02 0.00 0.00 39.34 39.48 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 -1.12 -5.34 -4.36 0.00 1.02 0.20 -4.96 120.64 106.07 1wfe n GLU 47 Ca 0.08 0.63 -0.25 0.00 -0.02 0.00 0.00 57.16 57.61 1wfe n GLU 47 Cb 0.34 -5.34 -0.12 0.00 -0.02 0.00 0.00 31.44 26.31 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 -6.17 1.35 -0.11 3.49 1.02 -1.25 -4.79 119.74 113.28 1wfe s LYS 48 Ca 0.24 -1.40 -0.20 0.00 0.02 0.00 0.00 55.97 54.63 1wfe s LYS 48 Cb -0.12 -1.58 -0.04 0.00 -0.52 0.00 0.00 37.83 35.57 1wfe s LYS 48 CO 0.81 0.34 0.54 1.21 -0.92 0.00 0.00 175.35 177.33 1wfe s ASN 49 N -2.49 6.76 0.34 2.83 2.47 -1.26 -1.26 114.94 122.34 1wfe s ASN 49 Ca 0.16 0.91 0.04 0.00 0.42 0.00 0.00 52.86 54.38 1wfe s ASN 49 Cb -0.08 -2.32 -0.04 0.00 -1.45 0.00 0.00 41.25 37.37 1wfe s ASN 49 CO 0.07 -0.04 0.14 -0.36 -3.72 0.00 0.00 177.10 173.20 1wfe s PHE 50 N 0.71 1.70 0.09 0.43 0.40 0.13 0.25 117.98 121.70 1wfe s PHE 50 Ca 0.29 -1.31 -0.08 0.00 -0.60 0.00 0.00 56.93 55.23 1wfe s PHE 50 Cb -0.16 -0.99 -0.06 0.00 0.51 0.00 0.00 43.02 42.32 1wfe s PHE 50 CO 0.12 -0.41 0.38 0.00 0.70 0.00 0.00 175.22 176.02 1wfe n LEU 52 N 0.66 0.12 -0.14 0.00 7.99 -1.26 0.24 117.00 124.61 1wfe n LEU 52 Ca -0.06 1.25 -0.08 0.00 -0.01 0.00 0.00 56.01 57.11 1wfe n LEU 52 Cb 0.52 -0.55 0.01 0.00 -0.11 0.00 0.00 43.42 43.29 1wfe n LEU 52 CO 0.44 -1.35 1.04 0.03 -1.51 0.00 0.00 177.39 176.04 1wfe h ARG 53 N 0.00 0.58 -0.82 3.23 3.08 -2.02 -2.77 114.38 115.67 1wfe h ARG 53 Ca 0.56 -0.05 -0.52 0.00 0.07 0.00 0.00 59.98 60.05 1wfe h ARG 53 Cb 1.38 -0.13 -0.28 0.00 0.08 0.00 0.00 29.97 31.02 1wfe h ARG 53 CO -0.63 0.41 0.30 0.72 -1.07 0.00 0.00 179.97 179.71 1wfe n HIS 54 N -4.76 2.66 0.04 3.04 8.25 0.66 -4.60 115.22 120.51 1wfe n HIS 54 Ca 0.01 -2.34 -0.19 0.00 -0.26 0.00 0.00 57.72 54.93 1wfe n HIS 54 Cb 0.04 -0.94 -0.12 0.00 1.12 0.00 0.00 29.99 30.09 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 1.62 0.44 -7.09 -0.41 0.11 -0.19 -3.35 114.38 105.52 1wfe h ARG 55 Ca 0.49 -0.57 -0.53 0.00 0.10 0.00 0.00 59.98 59.47 1wfe h ARG 55 Cb 1.55 0.18 0.20 0.00 1.11 0.00 0.00 29.97 33.01 1wfe h ARG 55 CO 1.08 1.22 0.03 0.72 0.10 0.00 0.00 179.97 183.12 1wfe n HIS 56 N -4.08 0.35 0.09 4.08 8.25 -1.26 -4.88 115.22 117.77 1wfe n HIS 56 Ca -0.12 0.36 -0.13 0.00 -0.26 0.00 0.00 57.72 57.57 1wfe n HIS 56 Cb 0.80 -1.98 -0.08 0.00 1.12 0.00 0.00 29.99 29.84 1wfe n HIS 56 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1wfe h GLN 57 N -1.35 -0.20 -1.87 -0.41 4.20 -2.00 -2.98 115.11 110.50 1wfe h GLN 57 Ca -0.44 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.21 1wfe h GLN 57 Cb 1.29 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.08 1wfe h GLN 57 CO 0.41 0.07 0.10 0.43 -0.67 0.00 0.00 178.83 179.17 1wfe n SER 58 N -5.06 5.55 0.00 1.46 7.64 -1.26 -2.86 113.62 119.09 1wfe n SER 58 Ca -0.09 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.24 1wfe n SER 58 Cb 0.20 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1wfe n SER 58 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1wfe n ASP 59 N 1.22 1.20 -1.67 6.43 -0.08 -1.13 -4.81 116.55 117.70 1wfe n ASP 59 Ca 0.07 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.36 1wfe n ASP 59 Cb 0.52 0.06 0.32 0.00 2.34 0.00 0.00 41.12 44.36 1wfe n ASP 59 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wfe n HIS 60 N -1.37 1.93 -3.79 -0.67 1.44 -1.19 -4.82 115.22 106.75 1wfe n HIS 60 Ca 0.00 -1.02 -0.23 0.00 -2.01 0.00 0.00 57.72 54.45 1wfe n HIS 60 Cb 0.13 -0.54 0.02 0.00 0.12 0.00 0.00 29.99 29.72 1wfe n HIS 60 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wfe n ASP 61 N -0.07 -1.39 -4.62 4.39 8.00 -1.25 -4.75 116.55 116.85 1wfe n ASP 61 Ca 0.32 -0.86 -0.61 0.00 0.71 0.00 0.00 54.79 54.35 1wfe n ASP 61 Cb 1.21 -3.78 -0.09 0.00 -0.02 0.00 0.00 41.12 38.43 1wfe n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wfe h GLU 63 N 7.15 0.10 -0.61 0.00 9.09 -1.93 -2.90 114.58 125.48 1wfe h GLU 63 Ca -0.37 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.00 1wfe h GLU 63 Cb 1.36 -0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 28.42 1wfe h GLU 63 CO 1.00 0.40 0.35 0.87 0.05 0.00 0.00 179.01 181.68 1wfe h LYS 64 N 0.09 0.83 -6.10 1.06 1.79 -1.91 -3.44 116.57 108.89 1wfe h LYS 64 Ca 0.01 -0.09 -0.55 0.00 -2.18 0.00 0.00 60.65 57.85 1wfe h LYS 64 Cb 0.59 -0.17 0.24 0.00 -1.58 0.00 0.00 32.23 31.31 1wfe h LYS 64 CO 0.04 0.62 -1.70 1.28 -1.08 0.00 0.00 179.45 178.61 1wfe n LEU 65 N -4.59 -5.29 -1.81 2.94 4.77 -1.10 -4.71 117.00 107.22 1wfe n LEU 65 Ca 0.04 0.20 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 1wfe n LEU 65 Cb 0.07 -0.82 -0.10 0.00 -2.33 0.00 0.00 43.42 40.24 1wfe n LEU 65 CO 0.37 -5.74 1.36 1.21 -1.33 0.00 0.00 177.39 173.25 1wfe n GLU 66 N 1.95 1.58 -3.62 3.23 2.13 -1.26 -4.64 120.64 120.01 1wfe n GLU 66 Ca -0.01 -0.59 -0.33 0.00 0.66 0.00 0.00 57.16 56.89 1wfe n GLU 66 Cb 0.56 -1.60 -0.08 0.00 0.27 0.00 0.00 31.44 30.59 1wfe n GLU 66 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1wfe n VAL 67 N 2.11 2.74 -3.93 6.31 0.24 -1.26 -5.00 118.33 119.54 1wfe n VAL 67 Ca 0.25 -5.14 -0.30 0.00 -2.04 0.00 0.00 64.34 57.11 1wfe n VAL 67 Cb 0.74 -2.26 -0.15 0.00 -1.47 0.00 0.00 33.84 30.70 1wfe n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wfe s ALA 68 N -1.71 2.64 -0.04 2.33 0.00 -1.26 -5.02 121.76 118.70 1wfe s ALA 68 Ca 0.29 -2.50 -0.30 0.00 0.00 0.00 0.00 51.96 49.45 1wfe s ALA 68 Cb -0.02 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 1wfe s ALA 68 CO -0.10 -1.77 1.06 0.21 0.00 0.00 0.00 175.76 175.15 1wfe s LYS 69 N 0.79 4.45 0.00 0.00 2.47 -1.26 -4.90 119.74 121.29 1wfe s LYS 69 Ca 0.12 1.50 0.06 0.00 -1.56 0.00 0.00 55.97 56.10 1wfe s LYS 69 Cb -0.20 -3.49 0.38 0.00 -1.46 0.00 0.00 37.83 33.05 1wfe s LYS 69 CO -0.09 -0.25 0.83 -0.35 0.16 0.00 0.00 175.35 175.65 1wfe n PRO 70 N 4.55 0.49 -3.60 4.03 -0.04 -1.26 -4.75 135.00 134.43 1wfe n PRO 70 Ca 0.08 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.23 1wfe n PRO 70 Cb 0.49 -1.20 -0.05 0.00 -0.04 0.00 0.00 33.50 32.70 1wfe n PRO 70 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wfe s ARG 71 N -2.00 3.65 0.34 0.54 0.52 -1.26 -5.03 118.95 115.71 1wfe s ARG 71 Ca 0.09 -0.03 -0.19 0.00 -0.52 0.00 0.00 55.73 55.09 1wfe s ARG 71 Cb 0.04 -2.79 -0.14 0.00 0.52 0.00 0.00 34.95 32.58 1wfe s ARG 71 CO 0.07 0.41 0.09 -1.33 0.02 0.00 0.00 175.30 174.57 1wfe n MET 72 N -0.08 0.00 -4.23 3.54 2.81 -1.26 -4.98 117.12 112.92 1wfe n MET 72 Ca -0.02 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.70 1wfe n MET 72 Cb 0.52 -0.87 -0.13 0.00 -0.71 0.00 0.00 33.22 32.03 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 -1.43 0.89 -0.78 3.04 0.00 -1.26 -5.10 121.76 117.12 1wfe s ALA 73 Ca 0.52 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 1wfe s ALA 73 Cb -0.56 -0.10 0.20 0.00 0.00 0.00 0.00 23.12 22.65 1wfe s ALA 73 CO 0.54 0.13 0.66 0.00 0.00 0.00 0.00 175.76 177.09 1wfe s ALA 74 N -0.90 3.96 -0.33 0.00 0.00 -1.26 -5.01 121.76 118.22 1wfe s ALA 74 Ca -0.02 -3.47 0.04 0.00 0.00 0.00 0.00 51.96 48.51 1wfe s ALA 74 Cb -0.08 -3.00 0.10 0.00 0.00 0.00 0.00 23.12 20.14 1wfe s ALA 74 CO 0.01 -2.17 0.05 0.99 0.00 0.00 0.00 175.76 174.63 1wfe s THR 75 N -0.41 2.19 0.01 0.00 2.01 -1.26 -5.10 115.64 113.09 1wfe s THR 75 Ca 0.21 -2.26 0.07 0.00 0.31 0.00 0.00 61.69 60.02 1wfe s THR 75 Cb -0.14 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 1wfe s THR 75 CO -0.07 -0.58 -0.21 0.00 -0.69 0.00 0.00 174.62 173.07 1wfe s GLN 76 N 0.95 2.11 0.24 4.92 -2.07 -1.26 -5.11 119.66 119.44 1wfe s GLN 76 Ca 0.10 -0.94 -0.30 0.00 -1.82 0.00 0.00 55.36 52.40 1wfe s GLN 76 Cb -0.19 -2.15 -0.09 0.00 -1.09 0.00 0.00 33.01 29.49 1wfe s GLN 76 CO -0.09 0.55 1.16 0.15 -1.32 0.00 0.00 175.29 175.75 1wfe s LYS 77 N -1.10 4.55 -0.53 9.60 1.02 -1.26 -4.90 119.74 127.13 1wfe s LYS 77 Ca 0.13 1.87 -0.28 0.00 0.02 0.00 0.00 55.97 57.70 1wfe s LYS 77 Cb -0.10 -3.20 -0.10 0.00 -0.52 0.00 0.00 37.83 33.90 1wfe s LYS 77 CO 0.02 0.04 2.41 1.28 -0.92 0.00 0.00 175.35 178.19 1wfe n LEU 78 N 1.75 2.05 -0.31 3.17 7.99 -1.26 -4.80 117.00 125.59 1wfe n LEU 78 Ca 0.01 -0.18 0.14 0.00 -0.01 0.00 0.00 56.01 55.97 1wfe n LEU 78 Cb 0.44 -1.42 0.31 0.00 -0.11 0.00 0.00 43.42 42.65 1wfe n LEU 78 CO 0.55 -1.20 1.05 1.62 -1.51 0.00 0.00 177.39 177.90 1wfe h VAL 79 N 7.61 0.47 -3.58 4.08 3.04 -2.07 -3.34 116.25 122.46 1wfe h VAL 79 Ca -0.23 -0.14 -0.66 0.00 -1.01 0.00 0.00 66.70 64.66 1wfe h VAL 79 Cb 1.28 0.03 -0.16 0.00 -2.01 0.00 0.00 31.29 30.43 1wfe h VAL 79 CO 1.16 0.07 0.05 -0.60 -1.01 0.00 0.00 177.57 177.24 1wfe s ARG 80 N -5.88 3.32 -0.29 4.17 3.52 -1.26 -4.99 118.95 117.54 1wfe s ARG 80 Ca -0.11 -0.38 -0.17 0.00 -0.13 0.00 0.00 55.73 54.94 1wfe s ARG 80 Cb 0.25 -3.92 0.17 0.00 -1.56 0.00 0.00 34.95 29.89 1wfe s ARG 80 CO 0.78 -0.92 1.12 0.45 -0.81 0.00 0.00 175.30 175.92 1wfe s SER 81 N 1.92 -0.30 0.00 -2.12 0.15 -1.26 -5.10 113.70 107.00 1wfe s SER 81 Ca 0.20 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1wfe s SER 81 Cb -0.15 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 1wfe s SER 81 CO 0.17 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1wfe n GLY 82 N 3.25 0.48 0.00 9.45 0.00 -1.26 -5.14 105.19 111.97 1wfe n GLY 82 Ca -0.17 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1wfe n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfe n PRO 83 N 0.00 -0.94 -1.49 1.61 -0.04 -1.26 -4.76 135.00 128.11 1wfe n PRO 83 Ca 0.00 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.02 1wfe n PRO 83 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 1wfe n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfe n SER 84 N -2.88 1.80 -4.06 3.54 2.88 -1.26 -1.62 113.62 112.02 1wfe n SER 84 Ca 0.00 0.06 -0.28 0.00 -1.33 0.00 0.00 58.87 57.32 1wfe n SER 84 Cb 0.00 -1.30 -0.04 0.00 -0.75 0.00 0.00 64.21 62.13 1wfe n SER 84 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfe n SER 85 N 11.99 -0.49 -0.56 -3.46 2.88 -1.26 -5.34 113.62 117.38 1wfe n SER 85 Ca 0.45 -1.06 0.14 0.00 -1.33 0.00 0.00 58.87 57.07 1wfe n SER 85 Cb 0.29 -2.73 0.45 0.00 -0.75 0.00 0.00 64.21 61.47 1wfe n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42