#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 6.51 -0.14 1.61 0.15 -1.26 -4.99 113.70 115.58 1wfe s SER 2 Ca 0.00 2.03 -0.27 0.00 0.70 0.00 0.00 55.95 58.41 1wfe s SER 2 Cb 0.00 -2.58 -0.24 0.00 -1.71 0.00 0.00 66.02 61.49 1wfe s SER 2 CO 0.00 -0.67 0.68 0.28 1.20 0.00 0.00 173.24 174.73 1wfe h SER 3 N 2.06 0.00 -0.23 5.45 0.02 -2.14 -3.50 113.55 115.20 1wfe h SER 3 Ca -0.49 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 59.56 1wfe h SER 3 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1wfe h SER 3 CO 0.61 1.01 0.00 0.61 -1.14 0.00 0.00 176.83 177.91 1wfe n GLY 4 N 1.61 2.95 3.41 -3.77 0.00 -1.26 -5.10 105.19 103.02 1wfe n GLY 4 Ca -0.11 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 5.83 -0.15 1.61 0.15 -1.26 -5.06 113.70 114.83 1wfe s SER 5 Ca 0.00 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 55.76 1wfe s SER 5 Cb 0.00 -2.06 0.02 0.00 -1.71 0.00 0.00 66.02 62.26 1wfe s SER 5 CO 0.00 -0.38 -0.17 -0.94 1.20 0.00 0.00 173.24 172.95 1wfe s SER 6 N 1.60 2.80 0.00 5.45 1.04 -1.26 -5.08 113.70 118.25 1wfe s SER 6 Ca 0.03 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1wfe s SER 6 Cb -0.19 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.66 1wfe s SER 6 CO 0.08 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1wfe n GLY 7 N 4.50 1.27 3.14 7.32 0.00 -1.26 -5.10 105.19 115.07 1wfe n GLY 7 Ca -0.19 0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 1wfe n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfe n SER 9 N 3.15 1.89 -4.80 0.00 7.64 -1.26 -4.92 113.62 115.30 1wfe n SER 9 Ca 0.14 0.30 -0.22 0.00 1.01 0.00 0.00 58.87 60.10 1wfe n SER 9 Cb 0.39 -1.24 -0.05 0.00 -1.01 0.00 0.00 64.21 62.30 1wfe n SER 9 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1wfe s GLU 10 N 6.70 2.56 -0.27 1.43 2.56 -1.26 -5.14 118.70 125.29 1wfe s GLU 10 Ca 1.12 -1.42 -0.25 0.00 0.00 0.00 0.00 54.97 54.41 1wfe s GLU 10 Cb -0.86 -2.34 0.09 0.00 2.00 0.00 0.00 34.13 33.01 1wfe s GLU 10 CO 0.48 0.08 0.81 0.54 -0.56 0.00 0.00 175.26 176.61 1wfe s VAL 11 N -2.37 0.00 -0.14 3.70 0.11 -1.26 -5.15 120.40 115.29 1wfe s VAL 11 Ca 0.40 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.42 1wfe s VAL 11 Cb -0.04 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.86 1wfe s VAL 11 CO 0.25 0.00 0.06 0.54 -3.33 0.00 0.00 175.10 172.62 1wfe s ASN 12 N 0.28 2.18 0.24 3.54 4.22 -1.26 -5.14 114.94 119.00 1wfe s ASN 12 Ca 0.01 -0.48 -0.18 0.00 -2.14 0.00 0.00 52.86 50.07 1wfe s ASN 12 Cb -0.05 -0.34 -0.08 0.00 1.28 0.00 0.00 41.25 42.06 1wfe s ASN 12 CO -0.01 -0.30 0.70 0.54 -2.04 0.00 0.00 177.10 175.99 1wfe s VAL 13 N 2.05 4.64 -0.04 3.54 0.11 -1.26 -5.08 120.40 124.36 1wfe s VAL 13 Ca 0.02 1.12 0.05 0.00 -2.93 0.00 0.00 61.98 60.24 1wfe s VAL 13 Cb -0.15 -3.78 -0.01 0.00 -1.53 0.00 0.00 36.38 30.92 1wfe s VAL 13 CO -0.07 0.11 -0.19 0.68 -3.33 0.00 0.00 175.10 172.30 1wfe s VAL 14 N -1.63 1.55 -0.39 2.04 -7.23 -1.26 -5.10 120.40 108.38 1wfe s VAL 14 Ca 0.45 -0.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.83 1wfe s VAL 14 Cb -0.15 -1.31 0.13 0.00 0.56 0.00 0.00 36.38 35.61 1wfe s VAL 14 CO 0.20 0.44 0.21 -0.54 -0.31 0.00 0.00 175.10 175.10 1wfe s LYS 15 N -0.10 0.93 0.37 4.82 1.02 -1.26 -5.10 119.74 120.41 1wfe s LYS 15 Ca -0.01 -1.62 -0.13 0.00 0.02 0.00 0.00 55.97 54.23 1wfe s LYS 15 Cb -0.11 -1.89 0.04 0.00 -0.52 0.00 0.00 37.83 35.35 1wfe s LYS 15 CO 0.02 -1.16 0.71 -1.83 -0.92 0.00 0.00 175.35 172.17 1wfe s GLU 16 N 0.80 2.13 -0.11 1.68 4.04 -1.26 -5.17 118.70 120.80 1wfe s GLU 16 Ca 0.17 -1.48 -0.05 0.00 0.04 0.00 0.00 54.97 53.64 1wfe s GLU 16 Cb -0.23 0.58 0.05 0.00 0.02 0.00 0.00 34.13 34.55 1wfe s GLU 16 CO -0.03 -0.97 0.25 0.50 -1.84 0.00 0.00 175.26 173.17 1wfe s ARG 17 N -2.60 0.19 1.07 -4.83 3.52 -1.26 -5.16 118.95 109.87 1wfe s ARG 17 Ca 0.19 0.58 -0.14 0.00 -0.13 0.00 0.00 55.73 56.23 1wfe s ARG 17 Cb -0.04 -0.10 0.22 0.00 -1.56 0.00 0.00 34.95 33.47 1wfe s ARG 17 CO 0.13 -0.19 1.10 -1.25 -0.81 0.00 0.00 175.30 174.28 1wfe s PRO 18 N 1.55 -0.11 -1.18 5.12 0.04 -1.26 -4.20 135.00 134.95 1wfe s PRO 18 Ca -0.07 0.32 -0.06 0.00 0.04 0.00 0.00 61.00 61.24 1wfe s PRO 18 Cb -0.11 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.75 1wfe s PRO 18 CO -0.09 -3.05 1.02 1.63 0.04 0.00 0.00 177.00 176.55 1wfe n LYS 19 N -4.37 -6.85 -4.08 4.56 4.76 -1.26 -5.01 118.16 105.91 1wfe n LYS 19 Ca 0.07 0.75 -0.07 0.00 -2.87 0.00 0.00 58.31 56.19 1wfe n LYS 19 Cb 0.58 -5.54 -0.10 0.00 -1.84 0.00 0.00 35.03 28.13 1wfe n LYS 19 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1wfe s THR 20 N -3.30 0.24 -0.49 -0.18 -1.32 -1.26 -5.12 115.64 104.21 1wfe s THR 20 Ca 0.38 -1.73 0.03 0.00 -1.21 0.00 0.00 61.69 59.16 1wfe s THR 20 Cb -0.17 -1.41 0.14 0.00 -1.51 0.00 0.00 72.50 69.55 1wfe s THR 20 CO 0.66 -0.95 0.27 -1.81 -2.21 0.00 0.00 174.62 170.58 1wfe s ASP 21 N -2.79 3.90 0.70 8.08 1.01 -1.26 -5.11 116.67 121.19 1wfe s ASP 21 Ca 0.05 -2.88 -0.17 0.00 0.71 0.00 0.00 52.55 50.27 1wfe s ASP 21 Cb 0.06 -1.27 0.02 0.00 1.01 0.00 0.00 42.92 42.74 1wfe s ASP 21 CO -0.09 -0.24 1.27 1.21 0.21 0.00 0.00 175.17 177.54 1wfe n GLU 22 N 3.23 0.84 -0.65 8.23 4.07 -1.26 -4.96 120.64 130.15 1wfe n GLU 22 Ca 0.09 0.35 -0.25 0.00 -0.06 0.00 0.00 57.16 57.29 1wfe n GLU 22 Cb 0.34 -2.51 0.13 0.00 -0.06 0.00 0.00 31.44 29.35 1wfe n GLU 22 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 1wfe n HIS 23 N -2.32 -1.82 -4.37 4.31 1.44 -1.26 -5.02 115.22 106.17 1wfe n HIS 23 Ca 0.15 0.17 -0.22 0.00 -2.01 0.00 0.00 57.72 55.82 1wfe n HIS 23 Cb 0.49 -1.44 -0.11 0.00 0.12 0.00 0.00 29.99 29.05 1wfe n HIS 23 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1wfe s LYS 24 N -3.18 1.39 -0.07 -1.40 0.00 -1.26 -5.15 119.74 110.07 1wfe s LYS 24 Ca 0.41 -1.55 0.03 0.00 0.00 0.00 0.00 55.97 54.87 1wfe s LYS 24 Cb -0.05 -1.39 0.01 0.00 0.00 0.00 0.00 37.83 36.39 1wfe s LYS 24 CO 0.48 0.27 -0.17 -1.54 0.00 0.00 0.00 175.35 174.39 1wfe s SER 25 N -3.04 2.26 -0.24 0.03 1.04 -1.26 -4.46 113.70 108.03 1wfe s SER 25 Ca 0.21 -0.39 -0.08 0.00 0.48 0.00 0.00 55.95 56.17 1wfe s SER 25 Cb -0.04 -1.00 -0.03 0.00 0.10 0.00 0.00 66.02 65.04 1wfe s SER 25 CO 0.09 0.09 0.08 -0.31 0.98 0.00 0.00 173.24 174.16 1wfe s TYR 26 N 0.49 3.13 -0.00 5.02 2.02 -1.22 -4.92 117.35 121.86 1wfe s TYR 26 Ca -0.15 -0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 55.98 1wfe s TYR 26 Cb -0.16 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 1wfe s TYR 26 CO 0.05 -0.23 1.20 -1.54 -1.57 0.00 0.00 175.55 173.46 1wfe s SER 27 N 1.38 7.06 0.24 2.29 1.04 -1.26 -3.64 113.70 120.82 1wfe s SER 27 Ca 0.05 1.91 -0.30 0.00 0.48 0.00 0.00 55.95 58.09 1wfe s SER 27 Cb -0.15 -2.57 -0.14 0.00 0.10 0.00 0.00 66.02 63.26 1wfe s SER 27 CO 0.04 -0.53 1.17 0.00 0.98 0.00 0.00 173.24 174.90 1wfe n SER 29 N 1.67 4.41 -4.86 0.00 7.64 0.56 -4.86 113.62 118.18 1wfe n SER 29 Ca 0.12 -3.26 -0.28 0.00 1.01 0.00 0.00 58.87 56.46 1wfe n SER 29 Cb 0.30 -0.82 -0.05 0.00 -1.01 0.00 0.00 64.21 62.63 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 -2.56 3.33 -0.95 1.43 5.36 -1.26 -4.98 117.98 118.35 1wfe s PHE 30 Ca 0.44 0.09 -0.24 0.00 -0.96 0.00 0.00 56.93 56.27 1wfe s PHE 30 Cb 0.36 -1.63 0.05 0.00 -0.34 0.00 0.00 43.02 41.47 1wfe s PHE 30 CO 0.06 0.53 1.38 0.21 -1.46 0.00 0.00 175.22 175.94 1wfe s LYS 31 N -2.89 3.49 0.00 10.12 2.20 -1.26 -3.48 119.74 127.92 1wfe s LYS 31 Ca 0.32 -0.97 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 1wfe s LYS 31 Cb -0.11 -5.05 0.00 0.00 -1.51 0.00 0.00 37.83 31.16 1wfe s LYS 31 CO 0.25 -2.16 0.00 0.41 -0.36 0.00 0.00 175.35 173.50 1wfe n GLY 32 N 6.44 1.30 3.20 5.54 0.00 -1.26 -5.14 105.19 115.28 1wfe n GLY 32 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 3.81 1.54 -3.46 0.00 -2.24 -1.26 -4.58 114.28 108.09 1wfe n THR 34 Ca -0.20 -2.68 -0.36 0.00 -2.27 0.00 0.00 64.05 58.54 1wfe n THR 34 Cb 0.55 0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.95 6.80 0.50 3.42 1.01 -1.26 -4.87 116.67 119.32 1wfe s ASP 35 Ca 0.38 0.98 0.04 0.00 0.71 0.00 0.00 52.55 54.66 1wfe s ASP 35 Cb 0.38 -2.25 -0.00 0.00 1.01 0.00 0.00 42.92 42.05 1wfe s ASP 35 CO -0.09 0.22 0.18 0.68 0.21 0.00 0.00 175.17 176.37 1wfe s VAL 36 N -1.27 1.57 -0.00 -1.27 -7.23 -1.26 -2.17 120.40 108.77 1wfe s VAL 36 Ca 0.31 -1.76 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 1wfe s VAL 36 Cb -0.16 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.48 1wfe s VAL 36 CO 0.17 0.00 0.39 -1.61 -0.31 0.00 0.00 175.10 173.73 1wfe s GLU 37 N -4.02 0.80 0.27 4.82 0.41 -1.24 -4.94 118.70 114.80 1wfe s GLU 37 Ca 0.23 -0.20 0.01 0.00 -0.41 0.00 0.00 54.97 54.60 1wfe s GLU 37 Cb 0.01 0.36 0.57 0.00 -1.78 0.00 0.00 34.13 33.29 1wfe s GLU 37 CO 0.14 -0.24 1.78 -0.07 -0.49 0.00 0.00 175.26 176.37 1wfe h LEU 38 N 3.48 0.65 0.00 1.80 3.38 -1.96 -3.24 115.31 119.43 1wfe h LEU 38 Ca -0.30 0.08 -0.53 0.00 0.09 0.00 0.00 57.88 57.22 1wfe h LEU 38 Cb 1.18 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1wfe h LEU 38 CO 0.41 0.28 -0.19 1.33 0.09 0.00 0.00 178.44 180.37 1wfe n VAL 39 N -4.80 0.00 -3.99 1.22 0.24 -1.26 -4.51 118.33 105.23 1wfe n VAL 39 Ca 0.18 -2.05 -0.34 0.00 -2.04 0.00 0.00 64.34 60.09 1wfe n VAL 39 Cb 0.44 -0.23 -0.14 0.00 -1.47 0.00 0.00 33.84 32.43 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 -2.74 2.66 -0.93 2.33 0.00 -1.26 -4.55 121.76 117.27 1wfe s ALA 40 Ca 0.43 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.63 1wfe s ALA 40 Cb -0.03 -1.68 0.15 0.00 0.00 0.00 0.00 23.12 21.56 1wfe s ALA 40 CO 0.27 -0.98 1.07 0.08 0.00 0.00 0.00 175.76 176.20 1wfe s VAL 41 N 1.25 4.96 0.17 0.00 1.01 -1.25 -4.99 120.40 121.55 1wfe s VAL 41 Ca -0.03 -1.87 -0.25 0.00 0.00 0.00 0.00 61.98 59.84 1wfe s VAL 41 Cb -0.18 -4.72 -0.08 0.00 0.00 0.00 0.00 36.38 31.40 1wfe s VAL 41 CO -0.04 -1.41 0.77 -0.63 0.00 0.00 0.00 175.10 173.79 1wfe s ILE 42 N 2.01 4.39 -0.20 2.22 -1.09 -1.26 -0.92 121.20 126.35 1wfe s ILE 42 Ca 0.30 1.66 -0.17 0.00 -2.23 0.00 0.00 60.65 60.22 1wfe s ILE 42 Cb -0.06 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 1wfe s ILE 42 CO -0.09 0.50 0.44 0.00 -1.23 0.00 0.00 174.94 174.56 1wfe n PRO 44 N 4.53 0.49 -0.02 0.00 -0.04 -1.26 0.66 135.00 139.35 1wfe n PRO 44 Ca -0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.35 1wfe n PRO 44 Cb 0.51 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.74 0.00 1.09 0.54 4.02 -1.26 -4.73 117.16 116.09 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 -0.22 0.23 0.00 -0.02 0.00 0.00 39.34 39.36 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 -1.05 -5.99 -4.16 0.00 1.02 0.21 -4.97 120.64 105.70 1wfe n GLU 47 Ca 0.08 0.75 -0.15 0.00 -0.02 0.00 0.00 57.16 57.82 1wfe n GLU 47 Cb 0.35 -5.59 -0.11 0.00 -0.02 0.00 0.00 31.44 26.07 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 -5.69 0.79 -0.08 3.49 1.02 -1.24 -4.81 119.74 113.22 1wfe s LYS 48 Ca 0.05 -1.03 -0.17 0.00 0.02 0.00 0.00 55.97 54.84 1wfe s LYS 48 Cb -0.02 -0.59 -0.05 0.00 -0.52 0.00 0.00 37.83 36.65 1wfe s LYS 48 CO 0.77 0.11 0.46 0.54 -0.92 0.00 0.00 175.35 176.31 1wfe s ASN 49 N -2.07 6.73 0.28 2.83 4.22 -1.26 -0.19 114.94 125.48 1wfe s ASN 49 Ca 0.00 0.87 0.02 0.00 -2.14 0.00 0.00 52.86 51.62 1wfe s ASN 49 Cb -0.06 -2.28 -0.05 0.00 1.28 0.00 0.00 41.25 40.14 1wfe s ASN 49 CO 0.01 0.10 0.11 -0.36 -2.04 0.00 0.00 177.10 174.92 1wfe s PHE 50 N 0.12 1.59 0.31 1.54 0.40 -0.10 -0.32 117.98 121.51 1wfe s PHE 50 Ca 0.25 -1.23 -0.15 0.00 -0.60 0.00 0.00 56.93 55.20 1wfe s PHE 50 Cb -0.16 -0.92 -0.09 0.00 0.51 0.00 0.00 43.02 42.37 1wfe s PHE 50 CO 0.11 -0.37 0.73 0.00 0.70 0.00 0.00 175.22 176.39 1wfe h LEU 52 N 2.39 0.32 -0.93 0.00 -0.00 -1.96 1.75 115.31 116.88 1wfe h LEU 52 Ca -0.48 0.20 -0.06 0.00 -0.00 0.00 0.00 57.88 57.53 1wfe h LEU 52 Cb 1.18 0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 42.00 1wfe h LEU 52 CO 0.65 -0.28 0.07 0.03 -0.00 0.00 0.00 178.44 178.91 1wfe h ARG 53 N 0.09 0.85 -0.26 1.13 2.47 -2.00 -2.95 114.38 113.71 1wfe h ARG 53 Ca 0.82 -0.21 -0.13 0.00 -1.26 0.00 0.00 59.98 59.20 1wfe h ARG 53 Cb 2.29 -0.11 -0.08 0.00 -1.65 0.00 0.00 29.97 30.42 1wfe h ARG 53 CO -0.60 0.81 -0.19 0.72 0.56 0.00 0.00 179.97 181.27 1wfe n HIS 54 N -4.24 0.80 -0.16 3.04 8.25 0.52 -4.70 115.22 118.73 1wfe n HIS 54 Ca 0.03 -1.58 -0.10 0.00 -0.26 0.00 0.00 57.72 55.81 1wfe n HIS 54 Cb 0.27 -0.43 -0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 1.00 0.82 -6.93 -0.41 0.11 0.86 -3.37 114.38 106.46 1wfe h ARG 55 Ca 0.16 -0.26 -0.45 0.00 0.10 0.00 0.00 59.98 59.53 1wfe h ARG 55 Cb 1.49 -0.07 0.22 0.00 1.11 0.00 0.00 29.97 32.72 1wfe h ARG 55 CO 0.29 0.87 -0.47 1.58 0.10 0.00 0.00 179.97 182.33 1wfe n HIS 56 N -4.37 -1.26 0.00 4.08 -0.00 -1.26 -4.92 115.22 107.50 1wfe n HIS 56 Ca 0.00 0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1wfe n HIS 56 Cb 0.31 -1.66 0.00 0.00 -0.12 0.00 0.00 29.99 28.51 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 -3.58 0.00 -0.36 1.57 6.02 -1.26 -3.43 117.38 116.34 1wfe n GLN 57 Ca 0.03 0.33 0.27 0.00 -0.01 0.00 0.00 57.00 57.61 1wfe n GLN 57 Cb 0.57 -0.99 0.54 0.00 1.02 0.00 0.00 30.24 31.38 1wfe n GLN 57 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1wfe h SER 58 N 0.00 0.41 -0.42 1.08 0.02 -1.93 0.76 113.55 113.47 1wfe h SER 58 Ca 0.00 0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.15 1wfe h SER 58 Cb 0.00 0.06 -0.09 0.00 0.14 0.00 0.00 62.40 62.51 1wfe h SER 58 CO 0.00 -0.02 -0.22 0.44 -1.14 0.00 0.00 176.83 175.89 1wfe h ASP 59 N 0.30 -0.76 -0.43 3.07 5.19 -1.90 0.17 116.42 122.07 1wfe h ASP 59 Ca 0.68 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 57.26 1wfe h ASP 59 Cb 1.82 0.40 0.00 0.00 0.18 0.00 0.00 39.33 41.73 1wfe h ASP 59 CO -0.38 -0.25 0.00 0.00 -3.12 0.00 0.00 179.24 175.49 1wfe n HIS 60 N -5.39 1.29 -3.60 4.55 1.44 0.15 -4.91 115.22 108.75 1wfe n HIS 60 Ca 0.02 -0.47 -0.20 0.00 -2.01 0.00 0.00 57.72 55.06 1wfe n HIS 60 Cb 0.30 -0.31 0.05 0.00 0.12 0.00 0.00 29.99 30.16 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 0.56 -2.08 -4.49 4.39 8.00 0.58 -4.71 116.55 118.79 1wfe n ASP 61 Ca 0.19 -0.78 -0.41 0.00 0.71 0.00 0.00 54.79 54.50 1wfe n ASP 61 Cb 0.81 -4.36 -0.12 0.00 -0.02 0.00 0.00 41.12 37.43 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 13.37 0.14 -0.58 0.00 4.11 -1.91 0.39 114.58 130.09 1wfe h GLU 63 Ca -0.10 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.34 1wfe h GLU 63 Cb 1.31 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1wfe h GLU 63 CO 1.32 0.09 0.37 0.87 0.07 0.00 0.00 179.01 181.72 1wfe h LYS 64 N 0.14 0.71 -6.07 1.06 1.79 -1.91 -3.43 116.57 108.85 1wfe h LYS 64 Ca 0.67 -0.04 -0.53 0.00 -2.18 0.00 0.00 60.65 58.56 1wfe h LYS 64 Cb 2.25 -0.16 0.24 0.00 -1.58 0.00 0.00 32.23 32.98 1wfe h LYS 64 CO -0.19 0.47 -1.98 1.28 -1.08 0.00 0.00 179.45 177.95 1wfe n LEU 65 N -4.72 -4.76 -2.09 2.94 4.77 0.14 -4.67 117.00 108.60 1wfe n LEU 65 Ca 0.04 0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 56.05 1wfe n LEU 65 Cb 0.05 -0.73 -0.15 0.00 -2.33 0.00 0.00 43.42 40.27 1wfe n LEU 65 CO 0.34 -4.89 1.52 1.21 -1.33 0.00 0.00 177.39 174.24 1wfe n GLU 66 N 2.08 1.79 -5.16 3.23 4.07 -1.26 -4.83 120.64 120.55 1wfe n GLU 66 Ca -0.01 -0.90 -0.32 0.00 -0.06 0.00 0.00 57.16 55.87 1wfe n GLU 66 Cb 0.61 -1.96 -0.15 0.00 -0.06 0.00 0.00 31.44 29.88 1wfe n GLU 66 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1wfe s VAL 67 N 1.28 2.38 0.12 6.31 1.01 -1.26 -5.08 120.40 125.16 1wfe s VAL 67 Ca 0.59 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 1wfe s VAL 67 Cb 0.28 -1.87 -0.14 0.00 0.00 0.00 0.00 36.38 34.65 1wfe s VAL 67 CO -0.00 0.58 0.49 0.00 0.00 0.00 0.00 175.10 176.17 1wfe n ALA 68 N 2.52 -2.56 -0.97 5.51 0.00 -1.26 -4.65 120.51 119.10 1wfe n ALA 68 Ca -0.17 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.31 1wfe n ALA 68 Cb 0.52 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 1wfe n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wfe n LYS 69 N 0.85 0.00 0.00 0.00 5.02 -1.26 -4.77 118.16 118.01 1wfe n LYS 69 Ca 0.14 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.50 1wfe n LYS 69 Cb 0.17 -0.70 0.30 0.00 -0.02 0.00 0.00 35.03 34.79 1wfe n LYS 69 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1wfe n PRO 70 N 0.70 0.00 -3.99 1.97 -0.04 -1.26 -4.86 135.00 127.52 1wfe n PRO 70 Ca 0.12 0.26 -0.34 0.00 -0.04 0.00 0.00 63.50 63.50 1wfe n PRO 70 Cb 0.18 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.51 -0.78 -2.43 0.54 5.12 -1.26 -4.85 116.66 111.49 1wfe n ARG 71 Ca 0.03 0.11 -0.33 0.00 -1.93 0.00 0.00 57.85 55.73 1wfe n ARG 71 Cb 0.17 -3.77 -0.03 0.00 -1.16 0.00 0.00 32.46 27.67 1wfe n ARG 71 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1wfe s MET 72 N -6.16 3.78 0.23 5.56 -1.94 -1.26 -4.91 119.30 114.60 1wfe s MET 72 Ca 0.62 1.19 -0.00 0.00 -1.71 0.00 0.00 55.69 55.79 1wfe s MET 72 Cb -0.36 -2.10 0.54 0.00 2.01 0.00 0.00 34.83 34.91 1wfe s MET 72 CO 0.84 -0.43 1.21 0.00 -0.01 0.00 0.00 175.02 176.63 1wfe n ALA 73 N -1.32 0.34 -3.37 3.03 0.00 -1.26 -4.78 120.51 113.15 1wfe n ALA 73 Ca 0.08 0.83 -0.19 0.00 0.00 0.00 0.00 53.44 54.17 1wfe n ALA 73 Cb 0.53 -0.58 0.07 0.00 0.00 0.00 0.00 19.45 19.46 1wfe n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wfe n ALA 74 N -3.38 -1.11 -1.55 0.00 0.00 -1.26 -4.83 120.51 108.38 1wfe n ALA 74 Ca 0.17 0.30 -0.19 0.00 0.00 0.00 0.00 53.44 53.72 1wfe n ALA 74 Cb 0.55 -4.38 -0.09 0.00 0.00 0.00 0.00 19.45 15.52 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 -4.46 -0.02 -2.07 0.00 -1.04 -1.26 -4.91 114.28 100.52 1wfe n THR 75 Ca -0.01 -0.54 -0.29 0.00 -2.04 0.00 0.00 64.05 61.18 1wfe n THR 75 Cb 0.56 -1.81 0.18 0.00 -1.82 0.00 0.00 70.33 67.44 1wfe n THR 75 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1wfe s GLN 76 N 8.56 0.67 0.17 -2.82 -1.52 -1.26 -5.09 119.66 118.37 1wfe s GLN 76 Ca 1.01 -0.64 0.05 0.00 -1.95 0.00 0.00 55.36 53.83 1wfe s GLN 76 Cb -0.28 -1.93 -0.04 0.00 -0.22 0.00 0.00 33.01 30.54 1wfe s GLN 76 CO 0.20 -2.34 0.17 0.15 -0.25 0.00 0.00 175.29 173.22 1wfe s LYS 77 N -5.78 3.01 -0.73 2.91 3.01 -1.26 -5.07 119.74 115.82 1wfe s LYS 77 Ca 0.74 -0.84 -0.16 0.00 -1.01 0.00 0.00 55.97 54.71 1wfe s LYS 77 Cb -0.03 -2.70 0.17 0.00 -1.01 0.00 0.00 37.83 34.26 1wfe s LYS 77 CO 0.52 0.48 0.74 -0.48 0.51 0.00 0.00 175.35 177.12 1wfe s LEU 78 N -3.21 6.16 -0.20 3.17 2.34 -1.26 -4.98 118.68 120.71 1wfe s LEU 78 Ca 0.32 -2.17 -0.04 0.00 0.06 0.00 0.00 54.13 52.29 1wfe s LEU 78 Cb -0.10 -2.25 0.10 0.00 -0.56 0.00 0.00 46.19 43.38 1wfe s LEU 78 CO 0.25 -0.80 0.27 -0.69 -1.06 0.00 0.00 176.35 174.32 1wfe s VAL 79 N 1.28 -0.42 -0.17 1.48 1.01 -1.26 -5.14 120.40 117.18 1wfe s VAL 79 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1wfe s VAL 79 Cb -0.17 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1wfe s VAL 79 CO -0.04 -0.11 -0.07 0.00 0.00 0.00 0.00 175.10 174.88 1wfe s ARG 80 N 2.40 3.45 -0.18 2.72 1.70 -1.26 -5.00 118.95 122.78 1wfe s ARG 80 Ca 0.07 -0.62 -0.17 0.00 -0.47 0.00 0.00 55.73 54.54 1wfe s ARG 80 Cb -0.15 -2.86 -0.22 0.00 -0.57 0.00 0.00 34.95 31.16 1wfe s ARG 80 CO -0.12 0.04 0.28 1.03 -1.08 0.00 0.00 175.30 175.45 1wfe h SER 81 N 7.31 0.14 -3.37 -2.89 0.87 -2.04 -3.46 113.55 110.11 1wfe h SER 81 Ca -0.34 -0.65 -0.60 0.00 -1.23 0.00 0.00 61.79 58.97 1wfe h SER 81 Cb 1.18 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 63.01 1wfe h SER 81 CO 0.59 1.60 0.28 -0.83 -0.53 0.00 0.00 176.83 177.95 1wfe s GLY 82 N -5.07 1.92 -0.36 5.77 0.00 -1.26 -5.01 107.32 103.31 1wfe s GLY 82 Ca -0.27 -0.22 -0.28 0.00 0.00 0.00 0.00 44.72 43.96 1wfe s GLY 82 CO 0.65 1.55 1.71 2.56 0.00 0.00 0.00 173.10 179.57 1wfe s PRO 83 N 2.37 3.37 0.07 2.90 0.04 -1.26 -4.97 135.00 137.52 1wfe s PRO 83 Ca 0.32 1.28 -0.06 0.00 0.04 0.00 0.00 61.00 62.57 1wfe s PRO 83 Cb -0.16 -4.16 -0.01 0.00 0.04 0.00 0.00 34.50 30.21 1wfe s PRO 83 CO 0.09 -1.82 0.13 -1.54 0.04 0.00 0.00 177.00 173.90 1wfe s SER 84 N 5.63 0.22 -0.20 6.66 1.04 -1.26 -5.15 113.70 120.64 1wfe s SER 84 Ca 0.75 -0.73 -0.06 0.00 0.48 0.00 0.00 55.95 56.39 1wfe s SER 84 Cb -0.20 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 1wfe s SER 84 CO 0.33 -0.68 0.02 -0.44 0.98 0.00 0.00 173.24 173.45 1wfe s SER 85 N -2.83 5.01 0.00 7.02 0.01 -1.26 -5.21 113.70 116.44 1wfe s SER 85 Ca 0.05 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1wfe s SER 85 Cb 0.05 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1wfe s SER 85 CO -0.10 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.24