#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 6.77 -0.40 1.61 0.01 -1.26 -5.03 113.70 115.40 1wfe s SER 2 Ca 0.00 1.23 -0.24 0.00 1.31 0.00 0.00 55.95 58.25 1wfe s SER 2 Cb 0.00 -2.35 0.02 0.00 0.21 0.00 0.00 66.02 63.90 1wfe s SER 2 CO 0.00 -0.16 0.83 -0.44 0.41 0.00 0.00 173.24 173.87 1wfe s SER 3 N -2.24 6.53 0.00 2.44 0.01 -1.26 -5.01 113.70 114.18 1wfe s SER 3 Ca 0.52 0.26 0.00 0.00 1.31 0.00 0.00 55.95 58.04 1wfe s SER 3 Cb -0.11 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1wfe s SER 3 CO 0.18 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1wfe n GLY 4 N 4.66 4.50 3.66 3.44 0.00 -1.26 -5.10 105.19 115.10 1wfe n GLY 4 Ca 0.04 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.56 6.56 -0.47 1.61 0.15 -1.26 -4.96 113.70 114.78 1wfe s SER 5 Ca 0.00 2.45 -0.16 0.00 0.70 0.00 0.00 55.95 58.94 1wfe s SER 5 Cb 0.00 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.84 1wfe s SER 5 CO 0.00 -0.98 0.41 -0.44 1.20 0.00 0.00 173.24 173.43 1wfe s SER 6 N 3.80 6.15 -0.30 5.45 0.01 -1.26 -4.89 113.70 122.66 1wfe s SER 6 Ca 0.80 -1.23 0.20 0.00 1.31 0.00 0.00 55.95 57.03 1wfe s SER 6 Cb -0.38 -2.19 0.48 0.00 0.21 0.00 0.00 66.02 64.13 1wfe s SER 6 CO 0.35 -0.65 1.10 0.61 0.41 0.00 0.00 173.24 175.06 1wfe n GLY 7 N 5.19 1.68 3.54 3.44 0.00 -1.26 -5.07 105.19 112.72 1wfe n GLY 7 Ca -0.12 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 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 11.16 3.69 0.91 0.00 1.04 -1.26 -5.12 113.70 124.12 1wfe s SER 9 Ca 1.04 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 56.99 1wfe s SER 9 Cb -0.36 -1.31 0.14 0.00 0.10 0.00 0.00 66.02 64.59 1wfe s SER 9 CO 0.31 0.21 1.13 -1.83 0.98 0.00 0.00 173.24 174.04 1wfe s GLU 10 N 0.06 1.09 -0.14 4.02 -1.05 -1.26 -5.04 118.70 116.39 1wfe s GLU 10 Ca -0.07 1.40 -0.01 0.00 -0.15 0.00 0.00 54.97 56.14 1wfe s GLU 10 Cb -0.15 -1.75 0.04 0.00 -0.44 0.00 0.00 34.13 31.83 1wfe s GLU 10 CO 0.05 -2.53 -0.02 0.08 0.95 0.00 0.00 175.26 173.79 1wfe s VAL 11 N -2.69 0.72 -0.08 1.83 1.01 -1.26 -5.13 120.40 114.80 1wfe s VAL 11 Ca 0.66 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.36 1wfe s VAL 11 Cb -0.22 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 1wfe s VAL 11 CO 0.58 0.12 -0.24 0.54 0.00 0.00 0.00 175.10 176.10 1wfe s ASN 12 N 1.81 3.14 -0.27 3.32 2.20 -1.26 -5.11 114.94 118.77 1wfe s ASN 12 Ca 0.02 -0.51 -0.26 0.00 -0.94 0.00 0.00 52.86 51.17 1wfe s ASN 12 Cb -0.14 -1.09 0.14 0.00 -2.00 0.00 0.00 41.25 38.15 1wfe s ASN 12 CO -0.07 0.21 1.12 0.54 -2.94 0.00 0.00 177.10 175.96 1wfe s VAL 13 N 0.04 0.00 0.18 3.54 0.11 -1.26 -5.17 120.40 117.83 1wfe s VAL 13 Ca -0.09 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.93 1wfe s VAL 13 Cb -0.15 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.65 1wfe s VAL 13 CO 0.06 0.00 0.38 0.68 -3.33 0.00 0.00 175.10 172.89 1wfe s VAL 14 N -0.05 5.19 0.07 2.04 -7.23 -1.26 -5.11 120.40 114.06 1wfe s VAL 14 Ca 0.03 -0.21 0.07 0.00 -1.81 0.00 0.00 61.98 60.07 1wfe s VAL 14 Cb -0.04 -3.69 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 1wfe s VAL 14 CO -0.07 -0.09 -0.20 -0.54 -0.31 0.00 0.00 175.10 173.89 1wfe s LYS 15 N -3.06 1.18 -0.17 4.82 3.01 -1.26 -5.15 119.74 119.11 1wfe s LYS 15 Ca 0.39 -1.04 -0.15 0.00 -1.01 0.00 0.00 55.97 54.17 1wfe s LYS 15 Cb -0.11 -1.36 0.04 0.00 -1.01 0.00 0.00 37.83 35.39 1wfe s LYS 15 CO 0.28 0.33 0.44 -1.83 0.51 0.00 0.00 175.35 175.08 1wfe s GLU 16 N -1.58 0.51 -0.05 1.68 -1.05 -1.26 -5.16 118.70 111.79 1wfe s GLU 16 Ca 0.06 0.64 0.02 0.00 -0.15 0.00 0.00 54.97 55.54 1wfe s GLU 16 Cb -0.09 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 33.84 1wfe s GLU 16 CO 0.03 -0.07 -0.10 1.03 0.95 0.00 0.00 175.26 177.10 1wfe s ARG 17 N 0.35 1.34 1.06 -4.83 0.52 -1.26 -5.15 118.95 110.97 1wfe s ARG 17 Ca -0.01 -0.32 -0.14 0.00 -0.52 0.00 0.00 55.73 54.74 1wfe s ARG 17 Cb -0.04 -1.16 0.22 0.00 0.52 0.00 0.00 34.95 34.49 1wfe s ARG 17 CO -0.01 0.02 1.10 -1.25 0.02 0.00 0.00 175.30 175.18 1wfe s PRO 18 N 0.62 -0.05 -0.13 3.54 0.04 -1.26 -4.90 135.00 132.86 1wfe s PRO 18 Ca -0.11 0.35 -0.03 0.00 0.04 0.00 0.00 61.00 61.25 1wfe s PRO 18 Cb -0.14 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1wfe s PRO 18 CO 0.02 -3.02 2.74 1.63 0.04 0.00 0.00 177.00 178.41 1wfe n LYS 19 N -4.35 1.75 -1.72 4.56 5.02 -1.26 -4.22 118.16 117.94 1wfe n LYS 19 Ca 0.07 -1.04 -0.16 0.00 -2.02 0.00 0.00 58.31 55.16 1wfe n LYS 19 Cb 0.58 -1.67 0.06 0.00 -0.02 0.00 0.00 35.03 33.98 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 1.56 2.37 -3.11 -0.18 -2.24 -1.26 -4.95 114.28 106.47 1wfe n THR 20 Ca 0.29 -3.91 -0.45 0.00 -2.27 0.00 0.00 64.05 57.72 1wfe n THR 20 Cb 0.68 -0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 68.09 1wfe n THR 20 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wfe s ASP 21 N -3.51 6.98 0.09 3.42 2.15 -1.26 -5.02 116.67 119.53 1wfe s ASP 21 Ca 0.47 -2.89 -0.31 0.00 0.43 0.00 0.00 52.55 50.25 1wfe s ASP 21 Cb 0.40 -2.32 -0.07 0.00 -0.30 0.00 0.00 42.92 40.63 1wfe s ASP 21 CO 0.01 -0.67 1.29 -1.61 -0.17 0.00 0.00 175.17 174.02 1wfe s GLU 22 N 0.82 4.38 0.27 4.34 0.41 -1.26 -4.93 118.70 122.73 1wfe s GLU 22 Ca 0.33 1.91 -0.16 0.00 -0.41 0.00 0.00 54.97 56.64 1wfe s GLU 22 Cb -0.06 -3.30 -0.11 0.00 -1.78 0.00 0.00 34.13 28.87 1wfe s GLU 22 CO -0.06 -0.34 0.11 0.72 -0.49 0.00 0.00 175.26 175.20 1wfe n HIS 23 N 3.93 -1.33 -3.11 1.61 8.25 -1.26 -4.83 115.22 118.47 1wfe n HIS 23 Ca 0.10 0.48 -0.43 0.00 -0.26 0.00 0.00 57.72 57.61 1wfe n HIS 23 Cb 0.44 -1.29 -0.06 0.00 1.12 0.00 0.00 29.99 30.21 1wfe n HIS 23 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1wfe s LYS 24 N -0.71 3.20 -0.34 -0.41 -2.85 -1.26 -4.98 119.74 112.38 1wfe s LYS 24 Ca 0.43 -0.63 -0.33 0.00 -1.00 0.00 0.00 55.97 54.43 1wfe s LYS 24 Cb -0.49 -4.04 -0.14 0.00 -2.06 0.00 0.00 37.83 31.10 1wfe s LYS 24 CO 0.44 -1.17 1.12 -1.13 0.10 0.00 0.00 175.35 174.71 1wfe n SER 25 N 6.34 0.83 -4.53 0.03 3.41 -1.26 -4.87 113.62 113.57 1wfe n SER 25 Ca -0.04 0.84 -0.40 0.00 -0.26 0.00 0.00 58.87 59.01 1wfe n SER 25 Cb 0.47 -0.63 -0.11 0.00 -0.26 0.00 0.00 64.21 63.69 1wfe n SER 25 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1wfe s TYR 26 N 2.05 3.23 0.16 7.33 2.02 -1.15 -4.91 117.35 126.08 1wfe s TYR 26 Ca 0.74 -0.20 -0.30 0.00 -0.37 0.00 0.00 57.07 56.94 1wfe s TYR 26 Cb -1.06 -2.48 -0.07 0.00 -0.40 0.00 0.00 41.96 37.95 1wfe s TYR 26 CO 0.57 -0.36 1.13 -1.54 -1.57 0.00 0.00 175.55 173.78 1wfe s SER 27 N 1.72 7.20 0.25 2.29 1.04 -1.26 -3.40 113.70 121.55 1wfe s SER 27 Ca 0.06 2.10 -0.31 0.00 0.48 0.00 0.00 55.95 58.28 1wfe s SER 27 Cb -0.17 -2.60 -0.13 0.00 0.10 0.00 0.00 66.02 63.22 1wfe s SER 27 CO 0.11 -0.29 1.49 0.00 0.98 0.00 0.00 173.24 175.52 1wfe n SER 29 N 2.32 3.92 -4.98 0.00 2.88 -0.35 -4.88 113.62 112.53 1wfe n SER 29 Ca 0.11 -3.24 -0.20 0.00 -1.33 0.00 0.00 58.87 54.22 1wfe n SER 29 Cb 0.33 -0.78 0.01 0.00 -0.75 0.00 0.00 64.21 63.01 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 -2.52 3.06 -0.78 0.66 5.36 -1.26 -5.01 117.98 117.49 1wfe s PHE 30 Ca 0.44 -0.13 -0.19 0.00 -0.96 0.00 0.00 56.93 56.08 1wfe s PHE 30 Cb 0.36 -2.20 0.12 0.00 -0.34 0.00 0.00 43.02 40.96 1wfe s PHE 30 CO 0.07 -0.24 0.96 0.21 -1.46 0.00 0.00 175.22 174.76 1wfe s LYS 31 N -4.34 3.36 0.00 10.12 2.20 -1.26 -4.02 119.74 125.80 1wfe s LYS 31 Ca 0.49 -1.53 0.00 0.00 -0.36 0.00 0.00 55.97 54.57 1wfe s LYS 31 Cb -0.10 -4.56 0.00 0.00 -1.51 0.00 0.00 37.83 31.66 1wfe s LYS 31 CO 0.34 -1.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.06 1wfe n GLY 32 N 5.25 1.23 3.03 5.54 0.00 -1.26 -5.13 105.19 113.85 1wfe n GLY 32 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 4.55 2.32 -4.08 0.00 -2.24 -1.26 -4.63 114.28 108.95 1wfe n THR 34 Ca -0.20 -3.99 -0.29 0.00 -2.27 0.00 0.00 64.05 57.31 1wfe n THR 34 Cb 0.52 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 67.94 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 5.41 0.37 3.42 1.01 -1.26 -4.96 116.67 117.04 1wfe s ASP 35 Ca 0.47 -0.09 0.04 0.00 0.71 0.00 0.00 52.55 53.68 1wfe s ASP 35 Cb 0.40 -1.40 -0.05 0.00 1.01 0.00 0.00 42.92 42.87 1wfe s ASP 35 CO 0.02 0.14 0.06 0.68 0.21 0.00 0.00 175.17 176.28 1wfe s VAL 36 N -1.50 1.17 0.12 -1.27 -7.23 -1.26 -1.93 120.40 108.50 1wfe s VAL 36 Ca 0.29 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 1wfe s VAL 36 Cb -0.11 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.17 1wfe s VAL 36 CO 0.22 0.00 0.32 -1.61 -0.31 0.00 0.00 175.10 173.72 1wfe s GLU 37 N -3.83 1.01 0.18 4.82 0.41 -1.22 -4.95 118.70 115.12 1wfe s GLU 37 Ca 0.31 -0.85 -0.10 0.00 -0.41 0.00 0.00 54.97 53.92 1wfe s GLU 37 Cb 0.07 0.42 0.07 0.00 -1.78 0.00 0.00 34.13 32.91 1wfe s GLU 37 CO 0.15 -0.37 1.66 -0.07 -0.49 0.00 0.00 175.26 176.13 1wfe h LEU 38 N 2.51 1.03-10.12 1.80 3.38 -1.94 -3.03 115.31 108.94 1wfe h LEU 38 Ca -0.33 -0.28 -0.51 0.00 0.09 0.00 0.00 57.88 56.85 1wfe h LEU 38 Cb 1.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1wfe h LEU 38 CO 0.50 1.05 -0.31 0.68 0.09 0.00 0.00 178.44 180.45 1wfe s VAL 39 N -5.13 5.19 -0.41 1.22 -7.23 -1.26 -4.58 120.40 108.20 1wfe s VAL 39 Ca -0.12 -0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 59.47 1wfe s VAL 39 Cb 0.14 -3.78 0.06 0.00 0.56 0.00 0.00 36.38 33.35 1wfe s VAL 39 CO 0.85 -0.29 0.26 0.00 -0.31 0.00 0.00 175.10 175.61 1wfe s ALA 40 N -1.99 3.32 -0.84 1.32 0.00 -1.26 -4.73 121.76 117.58 1wfe s ALA 40 Ca 0.38 -1.97 -0.20 0.00 0.00 0.00 0.00 51.96 50.17 1wfe s ALA 40 Cb -0.10 -2.69 0.11 0.00 0.00 0.00 0.00 23.12 20.44 1wfe s ALA 40 CO 0.31 -1.56 1.07 0.08 0.00 0.00 0.00 175.76 175.66 1wfe s VAL 41 N 1.51 4.57 0.21 0.00 1.01 -1.25 -4.97 120.40 121.48 1wfe s VAL 41 Ca 0.03 -1.15 -0.19 0.00 0.00 0.00 0.00 61.98 60.67 1wfe s VAL 41 Cb -0.22 -4.75 -0.08 0.00 0.00 0.00 0.00 36.38 31.33 1wfe s VAL 41 CO 0.05 -1.49 0.71 -0.63 0.00 0.00 0.00 175.10 173.73 1wfe s ILE 42 N 3.20 4.59 -0.21 2.22 -1.09 -1.26 -0.50 121.20 128.15 1wfe s ILE 42 Ca 0.29 1.26 -0.13 0.00 -2.23 0.00 0.00 60.65 59.83 1wfe s ILE 42 Cb -0.09 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1wfe s ILE 42 CO -0.03 0.22 0.29 0.00 -1.23 0.00 0.00 174.94 174.19 1wfe n PRO 44 N 4.29 0.49 -0.02 0.00 -0.04 -1.26 0.76 135.00 139.21 1wfe n PRO 44 Ca -0.12 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.30 1wfe n PRO 44 Cb 0.52 -1.26 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.76 0.00 1.06 0.54 4.02 -1.26 -4.73 117.16 116.03 1wfe n TYR 45 Ca 0.06 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.07 1wfe n TYR 45 Cb 0.03 -0.24 0.19 0.00 -0.02 0.00 0.00 39.34 39.30 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 -1.19 -6.25 -4.21 0.00 1.02 0.23 -4.97 120.64 105.28 1wfe n GLU 47 Ca 0.07 0.76 -0.17 0.00 -0.02 0.00 0.00 57.16 57.80 1wfe n GLU 47 Cb 0.35 -5.64 -0.11 0.00 -0.02 0.00 0.00 31.44 26.01 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 -5.76 0.93 -0.11 3.49 1.02 -1.24 -4.80 119.74 113.27 1wfe s LYS 48 Ca 0.13 -1.15 -0.19 0.00 0.02 0.00 0.00 55.97 54.78 1wfe s LYS 48 Cb -0.06 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.41 1wfe s LYS 48 CO 0.76 0.16 0.51 0.54 -0.92 0.00 0.00 175.35 176.40 1wfe s ASN 49 N -2.28 6.72 0.29 2.83 4.22 -1.26 -0.37 114.94 125.10 1wfe s ASN 49 Ca 0.05 0.86 0.02 0.00 -2.14 0.00 0.00 52.86 51.66 1wfe s ASN 49 Cb -0.06 -2.30 -0.05 0.00 1.28 0.00 0.00 41.25 40.12 1wfe s ASN 49 CO 0.02 -0.02 0.09 -0.36 -2.04 0.00 0.00 177.10 174.79 1wfe s PHE 50 N 0.68 1.70 0.32 1.54 0.40 0.34 -1.21 117.98 121.75 1wfe s PHE 50 Ca 0.27 -1.13 -0.13 0.00 -0.60 0.00 0.00 56.93 55.35 1wfe s PHE 50 Cb -0.15 -1.04 -0.08 0.00 0.51 0.00 0.00 43.02 42.26 1wfe s PHE 50 CO 0.11 -0.23 0.70 0.00 0.70 0.00 0.00 175.22 176.50 1wfe h LEU 52 N 2.08 0.45 -1.27 0.00 -0.00 -1.95 1.59 115.31 116.21 1wfe h LEU 52 Ca -0.48 0.21 -0.05 0.00 -0.00 0.00 0.00 57.88 57.56 1wfe h LEU 52 Cb 1.18 0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 42.00 1wfe h LEU 52 CO 0.66 -0.22 -0.05 0.03 -0.00 0.00 0.00 178.44 178.86 1wfe h ARG 53 N 0.24 0.44 -0.31 1.13 3.08 -2.02 -2.92 114.38 114.01 1wfe h ARG 53 Ca 0.76 -0.10 -0.22 0.00 0.07 0.00 0.00 59.98 60.49 1wfe h ARG 53 Cb 1.82 -0.06 -0.17 0.00 0.08 0.00 0.00 29.97 31.64 1wfe h ARG 53 CO -0.65 0.51 -0.56 0.72 -1.07 0.00 0.00 179.97 178.91 1wfe n HIS 54 N -4.27 1.12 -0.06 3.04 8.25 0.47 -4.74 115.22 119.02 1wfe n HIS 54 Ca 0.01 -1.79 -0.15 0.00 -0.26 0.00 0.00 57.72 55.53 1wfe n HIS 54 Cb 0.26 -0.32 -0.06 0.00 1.12 0.00 0.00 29.99 30.99 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 1.44 0.71 -6.95 -0.41 0.11 0.86 -3.37 114.38 106.76 1wfe h ARG 55 Ca 0.16 -0.47 -0.47 0.00 0.10 0.00 0.00 59.98 59.30 1wfe h ARG 55 Cb 1.24 0.06 0.22 0.00 1.11 0.00 0.00 29.97 32.60 1wfe h ARG 55 CO 0.33 1.09 -0.40 0.72 0.10 0.00 0.00 179.97 181.80 1wfe n HIS 56 N -4.16 -1.05 0.00 4.08 8.25 -1.26 -4.90 115.22 116.19 1wfe n HIS 56 Ca -0.06 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1wfe n HIS 56 Cb 0.58 -1.71 0.00 0.00 1.12 0.00 0.00 29.99 29.98 1wfe n HIS 56 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1wfe n GLN 57 N -3.48 0.00 -0.33 -0.41 6.02 -1.26 -3.19 117.38 114.73 1wfe n GLN 57 Ca 0.04 0.28 0.19 0.00 -0.01 0.00 0.00 57.00 57.50 1wfe n GLN 57 Cb 0.56 -1.02 0.41 0.00 1.02 0.00 0.00 30.24 31.20 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 0.45 -0.60 1.08 4.64 -1.93 0.82 113.55 118.01 1wfe h SER 58 Ca 0.00 0.18 0.12 0.00 -0.47 0.00 0.00 61.79 61.61 1wfe h SER 58 Cb 0.00 0.13 -0.12 0.00 -0.31 0.00 0.00 62.40 62.11 1wfe h SER 58 CO 0.00 -0.07 -0.22 0.44 -0.87 0.00 0.00 176.83 176.12 1wfe h ASP 59 N 0.38 -0.77 -0.64 4.97 5.19 -1.91 0.37 116.42 124.02 1wfe h ASP 59 Ca 0.67 0.20 -0.23 0.00 -0.62 0.00 0.00 57.03 57.04 1wfe h ASP 59 Cb 1.41 0.45 -0.14 0.00 0.18 0.00 0.00 39.33 41.23 1wfe h ASP 59 CO -0.58 -0.24 0.30 0.00 -3.12 0.00 0.00 179.24 175.60 1wfe n HIS 60 N -5.43 2.07 -4.05 4.55 1.44 0.17 -4.91 115.22 109.06 1wfe n HIS 60 Ca 0.06 -1.13 -0.28 0.00 -2.01 0.00 0.00 57.72 54.36 1wfe n HIS 60 Cb 0.34 -0.64 -0.04 0.00 0.12 0.00 0.00 29.99 29.77 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 -0.24 -0.45 -4.46 4.39 2.03 0.13 -4.64 116.55 113.30 1wfe n ASP 61 Ca 0.36 -1.10 -0.44 0.00 0.52 0.00 0.00 54.79 54.13 1wfe n ASP 61 Cb 1.24 -2.58 -0.12 0.00 -0.72 0.00 0.00 41.12 38.94 1wfe n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfe h GLU 63 N 12.90 0.32 -0.84 0.00 4.11 -1.92 0.38 114.58 129.53 1wfe h GLU 63 Ca -0.11 -0.02 0.18 0.00 0.07 0.00 0.00 59.36 59.48 1wfe h GLU 63 Cb 1.32 -0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.39 1wfe h GLU 63 CO 1.26 0.21 0.35 0.87 0.07 0.00 0.00 179.01 181.77 1wfe h LYS 64 N 0.33 0.41 -5.96 1.06 1.79 -1.91 -3.42 116.57 108.87 1wfe h LYS 64 Ca 0.73 -0.02 -0.20 0.00 -2.18 0.00 0.00 60.65 58.98 1wfe h LYS 64 Cb 1.67 -0.09 0.11 0.00 -1.58 0.00 0.00 32.23 32.35 1wfe h LYS 64 CO -0.60 0.27 -0.21 1.28 -1.08 0.00 0.00 179.45 179.11 1wfe n LEU 65 N -5.03 -1.31 -3.43 2.94 4.77 0.13 -4.93 117.00 110.14 1wfe n LEU 65 Ca 0.19 -0.38 -0.28 0.00 -0.03 0.00 0.00 56.01 55.51 1wfe n LEU 65 Cb 0.54 -0.75 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1wfe n LEU 65 CO 0.15 -3.21 0.12 -0.62 -1.33 0.00 0.00 177.39 172.50 1wfe n GLU 66 N -1.59 2.61 -1.90 3.23 4.71 -1.26 -5.07 120.64 121.37 1wfe n GLU 66 Ca 0.06 -4.68 -0.42 0.00 -0.01 0.00 0.00 57.16 52.11 1wfe n GLU 66 Cb 0.32 -2.27 -0.03 0.00 -1.01 0.00 0.00 31.44 28.45 1wfe n GLU 66 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1wfe s VAL 67 N -2.52 2.97 -0.51 2.62 -7.23 -1.26 -4.89 120.40 109.58 1wfe s VAL 67 Ca 0.40 0.43 -0.01 0.00 -1.81 0.00 0.00 61.98 60.99 1wfe s VAL 67 Cb 0.15 -3.28 0.39 0.00 0.56 0.00 0.00 36.38 34.20 1wfe s VAL 67 CO -0.01 -0.00 1.99 0.00 -0.31 0.00 0.00 175.10 176.77 1wfe n ALA 68 N 5.59 5.75 -2.07 1.32 0.00 -1.26 -4.97 120.51 124.87 1wfe n ALA 68 Ca 0.16 -2.72 -0.41 0.00 0.00 0.00 0.00 53.44 50.47 1wfe n ALA 68 Cb 0.40 -1.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.21 1wfe n ALA 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wfe s LYS 69 N -3.01 4.75 0.14 0.00 2.20 -1.26 -4.94 119.74 117.63 1wfe s LYS 69 Ca 0.51 1.45 0.19 0.00 -0.36 0.00 0.00 55.97 57.76 1wfe s LYS 69 Cb 0.41 -3.34 0.81 0.00 -1.51 0.00 0.00 37.83 34.20 1wfe s LYS 69 CO 0.01 0.34 1.59 -0.35 -0.36 0.00 0.00 175.35 176.58 1wfe n PRO 70 N 2.28 0.11 -5.00 4.03 -0.04 -1.26 -4.64 135.00 130.48 1wfe n PRO 70 Ca 0.00 0.35 -0.28 0.00 -0.04 0.00 0.00 63.50 63.53 1wfe n PRO 70 Cb 0.48 -1.70 -0.16 0.00 -0.04 0.00 0.00 33.50 32.08 1wfe n PRO 70 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wfe s ARG 71 N -3.18 2.16 0.02 0.54 1.04 -1.26 -5.12 118.95 113.15 1wfe s ARG 71 Ca 0.05 -0.72 -0.28 0.00 -1.04 0.00 0.00 55.73 53.74 1wfe s ARG 71 Cb 0.09 -1.82 0.10 0.00 -2.04 0.00 0.00 34.95 31.29 1wfe s ARG 71 CO 0.33 0.26 1.24 0.00 -0.04 0.00 0.00 175.30 177.10 1wfe s MET 72 N 0.05 0.54 0.44 3.89 0.23 -1.26 -5.12 119.30 118.07 1wfe s MET 72 Ca -0.06 -0.34 0.06 0.00 -1.03 0.00 0.00 55.69 54.32 1wfe s MET 72 Cb -0.13 0.16 -0.05 0.00 -1.53 0.00 0.00 34.83 33.27 1wfe s MET 72 CO 0.04 -0.25 0.06 0.00 -2.03 0.00 0.00 175.02 172.84 1wfe s ALA 73 N -2.19 3.54 0.14 3.16 0.00 -1.26 -5.09 121.76 120.06 1wfe s ALA 73 Ca 0.23 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1wfe s ALA 73 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1wfe s ALA 73 CO -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 175.76 175.63 1wfe n ALA 74 N -1.13 3.00 -3.61 0.00 0.00 -1.26 -5.09 120.51 112.42 1wfe n ALA 74 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 1wfe n ALA 74 Cb 0.66 0.08 -0.15 0.00 0.00 0.00 0.00 19.45 20.04 1wfe n ALA 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wfe s THR 75 N -1.66 -0.25 0.47 0.00 2.01 -1.26 -5.15 115.64 109.80 1wfe s THR 75 Ca 0.00 0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.05 1wfe s THR 75 Cb 0.00 -0.44 -0.06 0.00 0.01 0.00 0.00 72.50 72.02 1wfe s THR 75 CO 0.00 -0.01 0.84 0.00 -0.69 0.00 0.00 174.62 174.76 1wfe s GLN 76 N 2.28 3.72 -1.13 4.92 -2.07 -1.26 -5.00 119.66 121.12 1wfe s GLN 76 Ca 0.04 0.51 -0.17 0.00 -1.82 0.00 0.00 55.36 53.92 1wfe s GLN 76 Cb -0.14 -2.30 0.13 0.00 -1.09 0.00 0.00 33.01 29.61 1wfe s GLN 76 CO -0.08 -0.19 1.40 -1.59 -1.32 0.00 0.00 175.29 173.51 1wfe s LYS 77 N -4.31 3.89 -0.42 9.60 -2.85 -1.26 -4.88 119.74 119.52 1wfe s LYS 77 Ca 0.52 -2.12 0.02 0.00 -1.00 0.00 0.00 55.97 53.39 1wfe s LYS 77 Cb -0.10 -5.13 0.14 0.00 -2.06 0.00 0.00 37.83 30.68 1wfe s LYS 77 CO 0.38 -1.89 0.26 -1.17 0.10 0.00 0.00 175.35 173.03 1wfe s LEU 78 N 2.64 1.96 -0.32 2.77 2.96 -1.26 -4.96 118.68 122.46 1wfe s LEU 78 Ca 0.42 -2.61 0.07 0.00 -0.22 0.00 0.00 54.13 51.79 1wfe s LEU 78 Cb -0.02 -0.73 0.45 0.00 0.50 0.00 0.00 46.19 46.39 1wfe s LEU 78 CO -0.02 -0.26 1.20 0.55 -1.32 0.00 0.00 176.35 176.50 1wfe n VAL 79 N 3.52 2.53 -1.83 1.68 3.14 -1.26 -5.07 118.33 121.04 1wfe n VAL 79 Ca 0.14 -4.30 -0.38 0.00 -2.96 0.00 0.00 64.34 56.83 1wfe n VAL 79 Cb 0.38 -1.16 0.04 0.00 -1.06 0.00 0.00 33.84 32.03 1wfe n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wfe s ARG 80 N -3.60 3.21 -0.20 1.45 1.04 -1.26 -4.98 118.95 114.61 1wfe s ARG 80 Ca 0.51 2.19 -0.17 0.00 -1.04 0.00 0.00 55.73 57.22 1wfe s ARG 80 Cb 0.41 -2.27 -0.07 0.00 -2.04 0.00 0.00 34.95 30.97 1wfe s ARG 80 CO 0.00 -1.12 -0.35 -1.13 -0.04 0.00 0.00 175.30 172.66 1wfe n SER 81 N -0.97 1.94 0.00 -2.89 3.41 -1.26 -5.14 113.62 108.71 1wfe n SER 81 Ca 0.10 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1wfe n SER 81 Cb 0.45 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1wfe n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfe n GLY 82 N 1.42 -0.01 3.64 5.00 0.00 -1.26 -4.94 105.19 109.05 1wfe n GLY 82 Ca -0.24 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 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 -5.35 3.97 -0.81 1.61 0.04 -1.26 -4.97 135.00 128.24 1wfe s PRO 83 Ca 0.00 1.81 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 1wfe s PRO 83 Cb 0.00 -3.98 0.21 0.00 0.04 0.00 0.00 34.50 30.77 1wfe s PRO 83 CO 0.00 -1.08 0.74 0.45 0.04 0.00 0.00 177.00 177.15 1wfe s SER 84 N 3.64 6.66 0.02 6.66 0.15 -1.26 -5.03 113.70 124.54 1wfe s SER 84 Ca 0.69 -2.67 0.08 0.00 0.70 0.00 0.00 55.95 54.76 1wfe s SER 84 Cb -0.27 -2.19 -0.02 0.00 -1.71 0.00 0.00 66.02 61.83 1wfe s SER 84 CO 0.27 -0.57 -0.23 -0.94 1.20 0.00 0.00 173.24 172.96 1wfe s SER 85 N 2.14 2.78 0.00 5.45 1.04 -1.26 -5.34 113.70 118.51 1wfe s SER 85 Ca 0.17 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1wfe s SER 85 Cb -0.11 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.74 1wfe s SER 85 CO -0.08 0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.98