#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 6.20 -0.06 1.61 1.04 -1.26 -5.05 113.70 116.18 1wfe s SER 2 Ca 0.00 -0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.23 1wfe s SER 2 Cb 0.00 -2.20 0.02 0.00 0.10 0.00 0.00 66.02 63.94 1wfe s SER 2 CO 0.00 -0.30 0.27 -0.55 0.98 0.00 0.00 173.24 173.64 1wfe s SER 3 N 1.72 -0.22 0.00 7.02 0.15 -1.26 -5.02 113.70 116.09 1wfe s SER 3 Ca 0.13 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1wfe s SER 3 Cb -0.16 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1wfe s SER 3 CO 0.11 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1wfe n GLY 4 N 2.18 0.68 3.97 9.45 0.00 -1.26 -5.14 105.19 115.07 1wfe n GLY 4 Ca -0.17 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.00 6.28 -0.12 1.61 0.15 -1.26 -5.06 113.70 114.29 1wfe s SER 5 Ca 0.00 0.05 -0.07 0.00 0.70 0.00 0.00 55.95 56.63 1wfe s SER 5 Cb 0.00 -1.80 -0.02 0.00 -1.71 0.00 0.00 66.02 62.49 1wfe s SER 5 CO 0.00 -0.12 -0.14 -1.28 1.20 0.00 0.00 173.24 172.90 1wfe h SER 6 N 1.13 0.00 -2.44 5.45 0.87 -2.07 -3.50 113.55 112.98 1wfe h SER 6 Ca -0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1wfe h SER 6 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1wfe h SER 6 CO 0.60 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 178.16 1wfe n GLY 7 N 1.65 -0.13 2.46 5.77 0.00 -1.26 -4.98 105.19 108.71 1wfe n GLY 7 Ca -0.06 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.14 5.46 0.15 0.00 0.01 -1.26 -5.11 113.70 111.81 1wfe s SER 9 Ca 0.56 0.15 -0.04 0.00 1.31 0.00 0.00 55.95 57.93 1wfe s SER 9 Cb 0.44 -1.73 -0.05 0.00 0.21 0.00 0.00 66.02 64.89 1wfe s SER 9 CO -0.15 0.31 0.37 -0.70 0.41 0.00 0.00 173.24 173.48 1wfe s GLU 10 N -0.43 3.60 -0.05 12.44 2.56 -1.26 -5.10 118.70 130.46 1wfe s GLU 10 Ca 0.09 -0.12 0.03 0.00 0.00 0.00 0.00 54.97 54.96 1wfe s GLU 10 Cb -0.12 -2.85 0.01 0.00 2.00 0.00 0.00 34.13 33.17 1wfe s GLU 10 CO 0.02 0.46 -0.11 0.08 -0.56 0.00 0.00 175.26 175.15 1wfe s VAL 11 N -1.68 1.02 -0.38 3.70 1.01 -1.26 -5.11 120.40 117.70 1wfe s VAL 11 Ca 0.41 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 1wfe s VAL 11 Cb -0.12 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1wfe s VAL 11 CO 0.25 0.32 0.47 0.54 0.00 0.00 0.00 175.10 176.68 1wfe s ASN 12 N 0.42 6.25 -0.35 3.32 2.20 -1.26 -5.03 114.94 120.49 1wfe s ASN 12 Ca -0.09 -0.33 0.02 0.00 -0.94 0.00 0.00 52.86 51.53 1wfe s ASN 12 Cb -0.13 -2.24 0.10 0.00 -2.00 0.00 0.00 41.25 36.98 1wfe s ASN 12 CO 0.02 -0.52 0.06 -0.69 -2.94 0.00 0.00 177.10 173.03 1wfe s VAL 13 N 2.28 2.48 -0.26 3.54 1.01 -1.26 -5.08 120.40 123.10 1wfe s VAL 13 Ca 0.15 -2.21 -0.23 0.00 0.00 0.00 0.00 61.98 59.69 1wfe s VAL 13 Cb -0.16 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1wfe s VAL 13 CO 0.14 -0.56 0.77 0.54 0.00 0.00 0.00 175.10 175.99 1wfe s VAL 14 N 0.97 4.86 -0.34 2.92 0.11 -1.26 -4.98 120.40 122.69 1wfe s VAL 14 Ca 0.08 1.35 -0.30 0.00 -2.93 0.00 0.00 61.98 60.19 1wfe s VAL 14 Cb -0.20 -4.08 -0.08 0.00 -1.53 0.00 0.00 36.38 30.49 1wfe s VAL 14 CO -0.07 -0.10 2.27 2.29 -3.33 0.00 0.00 175.10 176.16 1wfe n LYS 15 N 5.99 1.45 -3.53 1.54 2.85 -1.26 -4.92 118.16 120.28 1wfe n LYS 15 Ca 0.04 0.34 -0.42 0.00 -1.05 0.00 0.00 58.31 57.22 1wfe n LYS 15 Cb 0.48 -2.98 -0.11 0.00 -0.65 0.00 0.00 35.03 31.78 1wfe n LYS 15 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1wfe s GLU 16 N 6.77 3.01 -0.20 -1.58 2.12 -1.26 -5.07 118.70 122.49 1wfe s GLU 16 Ca 1.04 -0.98 -0.05 0.00 0.36 0.00 0.00 54.97 55.34 1wfe s GLU 16 Cb -0.50 -3.85 -0.03 0.00 0.26 0.00 0.00 34.13 30.01 1wfe s GLU 16 CO 0.38 -0.68 0.01 0.50 -0.54 0.00 0.00 175.26 174.94 1wfe s ARG 17 N 1.64 3.67 1.14 4.30 3.52 -1.26 -5.11 118.95 126.85 1wfe s ARG 17 Ca 0.04 -0.49 -0.17 0.00 -0.13 0.00 0.00 55.73 54.98 1wfe s ARG 17 Cb -0.19 -3.09 0.26 0.00 -1.56 0.00 0.00 34.95 30.36 1wfe s ARG 17 CO 0.09 0.06 1.10 -1.25 -0.81 0.00 0.00 175.30 174.49 1wfe s PRO 18 N 0.88 -0.70 0.11 5.12 0.04 -1.26 -5.08 135.00 134.12 1wfe s PRO 18 Ca 0.01 0.12 0.10 0.00 0.04 0.00 0.00 61.00 61.27 1wfe s PRO 18 Cb -0.14 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 1wfe s PRO 18 CO 0.02 -3.40 -0.25 -1.59 0.04 0.00 0.00 177.00 171.82 1wfe s LYS 19 N -5.26 1.33 -0.15 4.56 -2.85 -1.26 -5.13 119.74 110.99 1wfe s LYS 19 Ca 0.69 -1.25 0.00 0.00 -1.00 0.00 0.00 55.97 54.41 1wfe s LYS 19 Cb -0.13 -1.72 0.03 0.00 -2.06 0.00 0.00 37.83 33.95 1wfe s LYS 19 CO 0.57 0.41 -0.10 0.95 0.10 0.00 0.00 175.35 177.27 1wfe s THR 20 N -1.07 1.36 -0.29 3.79 -4.23 -1.26 -5.10 115.64 108.84 1wfe s THR 20 Ca 0.11 -0.59 -0.15 0.00 -1.18 0.00 0.00 61.69 59.88 1wfe s THR 20 Cb -0.10 -1.36 0.15 0.00 1.34 0.00 0.00 72.50 72.53 1wfe s THR 20 CO 0.05 0.34 0.94 -0.62 -0.54 0.00 0.00 174.62 174.79 1wfe s ASP 21 N 1.56 -0.62 -0.31 3.99 2.15 -1.26 -5.13 116.67 117.05 1wfe s ASP 21 Ca 0.03 0.90 0.02 0.00 0.43 0.00 0.00 52.55 53.94 1wfe s ASP 21 Cb -0.14 1.52 0.08 0.00 -0.30 0.00 0.00 42.92 44.08 1wfe s ASP 21 CO -0.09 -0.13 -0.01 -0.70 -0.17 0.00 0.00 175.17 174.07 1wfe s GLU 22 N 2.00 1.95 0.02 4.34 2.56 -1.26 -5.09 118.70 123.21 1wfe s GLU 22 Ca -0.06 -1.59 0.01 0.00 0.00 0.00 0.00 54.97 53.33 1wfe s GLU 22 Cb -0.06 -3.11 -0.01 0.00 2.00 0.00 0.00 34.13 32.95 1wfe s GLU 22 CO -0.17 -0.76 -0.03 -3.38 -0.56 0.00 0.00 175.26 170.36 1wfe s HIS 23 N 1.05 0.27 0.12 5.30 -3.43 -1.26 -5.16 115.29 112.17 1wfe s HIS 23 Ca 0.01 -0.33 0.06 0.00 -0.80 0.00 0.00 55.06 53.99 1wfe s HIS 23 Cb -0.20 -0.18 -0.04 0.00 -1.43 0.00 0.00 32.58 30.73 1wfe s HIS 23 CO -0.06 -0.10 0.01 0.15 -2.00 0.00 0.00 174.74 172.74 1wfe s LYS 24 N -0.93 2.52 -0.07 -0.38 1.02 -1.26 -5.12 119.74 115.52 1wfe s LYS 24 Ca -0.09 -0.91 0.03 0.00 0.02 0.00 0.00 55.97 55.02 1wfe s LYS 24 Cb -0.06 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1wfe s LYS 24 CO -0.00 0.51 -0.17 -1.12 -0.92 0.00 0.00 175.35 173.65 1wfe s SER 25 N -2.52 2.23 -0.15 2.83 0.01 -1.26 -4.16 113.70 110.67 1wfe s SER 25 Ca 0.26 -0.38 -0.00 0.00 1.31 0.00 0.00 55.95 57.14 1wfe s SER 25 Cb -0.11 -0.89 -0.01 0.00 0.21 0.00 0.00 66.02 65.23 1wfe s SER 25 CO 0.19 0.11 -0.13 -0.31 0.41 0.00 0.00 173.24 173.50 1wfe s TYR 26 N 0.37 2.81 0.12 2.43 1.51 -0.80 -4.90 117.35 118.88 1wfe s TYR 26 Ca -0.12 -0.87 -0.30 0.00 -1.01 0.00 0.00 57.07 54.77 1wfe s TYR 26 Cb -0.15 -1.89 -0.06 0.00 -0.11 0.00 0.00 41.96 39.75 1wfe s TYR 26 CO 0.04 -0.38 0.97 -1.12 -1.11 0.00 0.00 175.55 173.95 1wfe s SER 27 N 0.70 7.49 0.87 2.29 0.01 -1.26 -2.50 113.70 121.30 1wfe s SER 27 Ca -0.06 1.81 -0.14 0.00 1.31 0.00 0.00 55.95 58.87 1wfe s SER 27 Cb -0.15 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.51 1wfe s SER 27 CO 0.02 -0.07 0.54 0.00 0.41 0.00 0.00 173.24 174.14 1wfe h SER 29 N -1.13 0.00 -2.46 0.00 0.02 -0.08 -3.46 113.55 106.44 1wfe h SER 29 Ca -0.44 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.97 1wfe h SER 29 Cb 1.30 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.85 1wfe h SER 29 CO 0.38 0.17 1.18 0.12 -1.14 0.00 0.00 176.83 177.54 1wfe s PHE 30 N -3.20 1.54 -0.98 3.45 5.36 -1.26 -4.87 117.98 118.02 1wfe s PHE 30 Ca 0.01 -0.22 -0.24 0.00 -0.96 0.00 0.00 56.93 55.52 1wfe s PHE 30 Cb 0.08 -4.12 -0.07 0.00 -0.34 0.00 0.00 43.02 38.57 1wfe s PHE 30 CO 0.76 -4.93 1.99 0.21 -1.46 0.00 0.00 175.22 171.79 1wfe s LYS 31 N 4.30 2.41 0.00 10.12 2.20 -1.26 -2.17 119.74 135.33 1wfe s LYS 31 Ca 0.83 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1wfe s LYS 31 Cb -0.39 -5.09 0.00 0.00 -1.51 0.00 0.00 37.83 30.84 1wfe s LYS 31 CO 0.37 -3.72 0.00 0.41 -0.36 0.00 0.00 175.35 172.05 1wfe n GLY 32 N 6.54 1.48 0.28 5.54 0.00 -1.26 -4.97 105.19 112.79 1wfe n GLY 32 Ca 0.42 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.56 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 -4.02 -0.98 -4.40 0.00 -2.24 -1.26 -4.89 114.28 96.49 1wfe n THR 34 Ca -0.03 -0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.18 1wfe n THR 34 Cb 0.12 -0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 67.40 1wfe n THR 34 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wfe s ASP 35 N -3.98 4.23 0.17 3.42 2.15 -1.26 -4.98 116.67 116.42 1wfe s ASP 35 Ca 0.14 -1.33 -0.09 0.00 0.43 0.00 0.00 52.55 51.69 1wfe s ASP 35 Cb -0.08 -0.09 -0.01 0.00 -0.30 0.00 0.00 42.92 42.45 1wfe s ASP 35 CO 0.54 -0.67 0.30 0.68 -0.17 0.00 0.00 175.17 175.86 1wfe s VAL 36 N -2.72 0.06 -0.03 1.11 -7.23 -1.26 -1.37 120.40 108.95 1wfe s VAL 36 Ca 0.29 -1.37 -0.24 0.00 -1.81 0.00 0.00 61.98 58.85 1wfe s VAL 36 Cb 0.04 -1.87 0.05 0.00 0.56 0.00 0.00 36.38 35.17 1wfe s VAL 36 CO 0.16 -0.26 0.52 -1.61 -0.31 0.00 0.00 175.10 173.60 1wfe s GLU 37 N -3.97 0.90 0.27 4.82 0.41 -1.04 -4.88 118.70 115.21 1wfe s GLU 37 Ca 0.18 0.05 -0.00 0.00 -0.41 0.00 0.00 54.97 54.78 1wfe s GLU 37 Cb 0.03 0.41 0.51 0.00 -1.78 0.00 0.00 34.13 33.30 1wfe s GLU 37 CO 0.01 -0.27 1.84 -0.07 -0.49 0.00 0.00 175.26 176.28 1wfe h LEU 38 N 3.35 0.92 0.00 1.80 3.38 -1.92 -2.14 115.31 120.69 1wfe h LEU 38 Ca -0.28 0.04 -0.49 0.00 0.09 0.00 0.00 57.88 57.24 1wfe h LEU 38 Cb 1.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1wfe h LEU 38 CO 0.40 0.51 -0.16 1.33 0.09 0.00 0.00 178.44 180.60 1wfe n VAL 39 N -4.62 0.00 -3.88 1.22 0.24 -1.26 -4.26 118.33 105.77 1wfe n VAL 39 Ca 0.18 -1.88 -0.33 0.00 -2.04 0.00 0.00 64.34 60.27 1wfe n VAL 39 Cb 0.32 -0.29 -0.13 0.00 -1.47 0.00 0.00 33.84 32.27 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 -2.68 3.26 -0.80 2.33 0.00 -1.26 -4.36 121.76 118.26 1wfe s ALA 40 Ca 0.41 -2.99 -0.26 0.00 0.00 0.00 0.00 51.96 49.13 1wfe s ALA 40 Cb -0.03 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.81 1wfe s ALA 40 CO 0.26 -1.93 1.55 0.08 0.00 0.00 0.00 175.76 175.72 1wfe s VAL 41 N 0.27 3.65 0.03 0.00 1.01 -1.26 -4.96 120.40 119.14 1wfe s VAL 41 Ca 0.14 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 1wfe s VAL 41 Cb -0.22 -4.60 -0.06 0.00 0.00 0.00 0.00 36.38 31.50 1wfe s VAL 41 CO -0.03 -1.53 0.54 -0.63 0.00 0.00 0.00 175.10 173.44 1wfe s ILE 42 N 6.95 4.86 -0.14 2.22 -1.09 -1.26 -1.09 121.20 131.65 1wfe s ILE 42 Ca 0.50 1.13 -0.24 0.00 -2.23 0.00 0.00 60.65 59.82 1wfe s ILE 42 Cb -0.07 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 1wfe s ILE 42 CO 0.08 0.52 0.74 0.00 -1.23 0.00 0.00 174.94 175.05 1wfe n PRO 44 N 4.68 0.49 -0.00 0.00 -0.04 -1.26 0.58 135.00 139.45 1wfe n PRO 44 Ca 0.01 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.45 1wfe n PRO 44 Cb 0.50 -1.18 -0.01 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.68 0.00 0.98 0.54 4.02 -1.26 -4.76 117.16 116.01 1wfe n TYR 45 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.05 1wfe n TYR 45 Cb 0.02 -0.13 0.21 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.52 -6.25 -4.38 0.00 1.02 0.20 -4.97 120.64 104.73 1wfe n GLU 47 Ca 0.05 0.76 -0.23 0.00 -0.02 0.00 0.00 57.16 57.72 1wfe n GLU 47 Cb 0.34 -5.65 -0.13 0.00 -0.02 0.00 0.00 31.44 25.98 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 1.14 -0.17 3.49 1.02 -1.25 -4.79 119.74 113.42 1wfe s LYS 48 Ca 0.13 -1.02 -0.25 0.00 0.02 0.00 0.00 55.97 54.85 1wfe s LYS 48 Cb -0.06 -1.30 -0.02 0.00 -0.52 0.00 0.00 37.83 35.93 1wfe s LYS 48 CO 0.76 0.31 0.81 1.21 -0.92 0.00 0.00 175.35 177.53 1wfe s ASN 49 N -1.58 6.93 0.40 2.83 2.47 -1.26 -1.28 114.94 123.45 1wfe s ASN 49 Ca 0.05 1.15 0.03 0.00 0.42 0.00 0.00 52.86 54.51 1wfe s ASN 49 Cb -0.09 -2.44 -0.04 0.00 -1.45 0.00 0.00 41.25 37.22 1wfe s ASN 49 CO 0.03 -0.38 0.08 -0.36 -3.72 0.00 0.00 177.10 172.75 1wfe s PHE 50 N 2.10 1.90 0.13 0.43 0.40 -0.25 0.69 117.98 123.38 1wfe s PHE 50 Ca 0.37 -1.09 -0.10 0.00 -0.60 0.00 0.00 56.93 55.51 1wfe s PHE 50 Cb -0.17 -1.31 -0.06 0.00 0.51 0.00 0.00 43.02 42.00 1wfe s PHE 50 CO 0.12 -0.07 0.46 0.00 0.70 0.00 0.00 175.22 176.43 1wfe n LEU 52 N 0.58 0.16 -0.09 0.00 7.99 -1.26 0.24 117.00 124.62 1wfe n LEU 52 Ca -0.05 1.10 -0.11 0.00 -0.01 0.00 0.00 56.01 56.94 1wfe n LEU 52 Cb 0.52 -0.54 -0.04 0.00 -0.11 0.00 0.00 43.42 43.25 1wfe n LEU 52 CO 0.44 -1.20 0.79 -0.09 -1.51 0.00 0.00 177.39 175.82 1wfe h ARG 53 N 0.00 0.45 -0.81 3.23 2.43 -1.98 -3.08 114.38 114.62 1wfe h ARG 53 Ca 0.71 -0.13 -0.49 0.00 -0.81 0.00 0.00 59.98 59.26 1wfe h ARG 53 Cb 2.29 -0.05 -0.27 0.00 -0.42 0.00 0.00 29.97 31.52 1wfe h ARG 53 CO -0.37 0.59 0.38 0.72 -1.51 0.00 0.00 179.97 179.78 1wfe n HIS 54 N -4.65 2.61 -0.01 2.20 8.25 0.65 -4.59 115.22 119.68 1wfe n HIS 54 Ca -0.03 -2.20 -0.08 0.00 -0.26 0.00 0.00 57.72 55.15 1wfe n HIS 54 Cb 0.22 -0.93 0.09 0.00 1.12 0.00 0.00 29.99 30.50 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 0.58 -7.33 -0.41 0.11 -0.65 -3.39 114.38 104.73 1wfe h ARG 55 Ca 0.50 -0.30 -0.49 0.00 0.10 0.00 0.00 59.98 59.79 1wfe h ARG 55 Cb 1.80 0.01 0.15 0.00 1.11 0.00 0.00 29.97 33.04 1wfe h ARG 55 CO 1.05 0.89 0.26 -1.01 0.10 0.00 0.00 179.97 181.26 1wfe s HIS 56 N -4.22 2.34 0.00 4.08 3.76 -1.26 -4.88 115.29 115.11 1wfe s HIS 56 Ca -0.08 1.30 0.00 0.00 -0.15 0.00 0.00 55.06 56.14 1wfe s HIS 56 Cb 0.12 -3.15 0.00 0.00 1.11 0.00 0.00 32.58 30.66 1wfe s HIS 56 CO 0.83 -2.32 0.51 1.04 -0.85 0.00 0.00 174.74 173.94 1wfe n GLN 57 N -3.84 0.00 -0.32 1.40 6.02 -1.26 -3.14 117.38 116.24 1wfe n GLN 57 Ca 0.07 0.26 0.21 0.00 -0.01 0.00 0.00 57.00 57.53 1wfe n GLN 57 Cb 0.55 -1.09 0.41 0.00 1.02 0.00 0.00 30.24 31.13 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 0.16 -0.71 1.08 4.64 -1.93 0.21 113.55 117.01 1wfe h SER 58 Ca 0.00 0.22 0.14 0.00 -0.47 0.00 0.00 61.79 61.68 1wfe h SER 58 Cb 0.00 0.26 -0.13 0.00 -0.31 0.00 0.00 62.40 62.21 1wfe h SER 58 CO 0.00 -0.24 -0.21 0.44 -0.87 0.00 0.00 176.83 175.95 1wfe h ASP 59 N 0.18 -0.77 -0.91 4.97 5.19 -1.91 0.43 116.42 123.60 1wfe h ASP 59 Ca 0.68 0.22 -0.47 0.00 -0.62 0.00 0.00 57.03 56.84 1wfe h ASP 59 Cb 1.55 0.48 -0.28 0.00 0.18 0.00 0.00 39.33 41.25 1wfe h ASP 59 CO -0.70 -0.25 0.60 0.00 -3.12 0.00 0.00 179.24 175.76 1wfe n HIS 60 N -5.47 2.80 -4.23 4.55 1.44 0.69 -4.91 115.22 110.09 1wfe n HIS 60 Ca 0.09 -1.72 -0.34 0.00 -2.01 0.00 0.00 57.72 53.74 1wfe n HIS 60 Cb 0.37 -0.88 -0.07 0.00 0.12 0.00 0.00 29.99 29.53 1wfe n HIS 60 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1wfe n ASP 61 N -0.99 -0.32 -4.44 4.39 5.75 0.15 -4.63 116.55 116.46 1wfe n ASP 61 Ca 0.54 -1.26 -0.60 0.00 -0.01 0.00 0.00 54.79 53.47 1wfe n ASP 61 Cb 1.57 -1.77 -0.10 0.00 -1.03 0.00 0.00 41.12 39.79 1wfe n ASP 61 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wfe h GLU 63 N 8.44 1.11 -0.85 0.00 4.11 -1.88 -2.55 114.58 122.96 1wfe h GLU 63 Ca -0.24 -0.11 0.20 0.00 0.07 0.00 0.00 59.36 59.28 1wfe h GLU 63 Cb 1.38 -0.23 -0.12 0.00 0.50 0.00 0.00 28.75 30.28 1wfe h GLU 63 CO 1.04 0.79 0.32 0.87 0.07 0.00 0.00 179.01 182.09 1wfe h LYS 64 N 1.12 0.34 -6.30 1.06 1.79 -1.91 -3.43 116.57 109.24 1wfe h LYS 64 Ca 0.29 -0.02 -0.52 0.00 -2.18 0.00 0.00 60.65 58.22 1wfe h LYS 64 Cb -0.02 -0.08 0.24 0.00 -1.58 0.00 0.00 32.23 30.79 1wfe h LYS 64 CO -0.05 0.23 -1.55 1.28 -1.08 0.00 0.00 179.45 178.27 1wfe n LEU 65 N -5.09 -3.45 -2.27 2.94 4.77 -0.96 -4.80 117.00 108.15 1wfe n LEU 65 Ca 0.19 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 56.11 1wfe n LEU 65 Cb 0.59 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 40.78 1wfe n LEU 65 CO 0.12 -4.43 1.48 1.21 -1.33 0.00 0.00 177.39 174.44 1wfe n GLU 66 N 0.76 2.18 -3.58 3.23 4.07 -1.26 -4.84 120.64 121.20 1wfe n GLU 66 Ca 0.01 -1.99 -0.15 0.00 -0.06 0.00 0.00 57.16 54.97 1wfe n GLU 66 Cb 0.59 -1.97 -0.06 0.00 -0.06 0.00 0.00 31.44 29.94 1wfe n GLU 66 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1wfe s VAL 67 N -1.98 0.00 -0.13 6.31 0.11 -1.26 -5.16 120.40 118.29 1wfe s VAL 67 Ca 0.51 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.57 1wfe s VAL 67 Cb 0.34 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1wfe s VAL 67 CO -0.14 0.00 -0.17 0.00 -3.33 0.00 0.00 175.10 171.46 1wfe s ALA 68 N -0.34 1.91 0.43 1.54 0.00 -1.26 -4.84 121.76 119.19 1wfe s ALA 68 Ca -0.04 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 50.80 1wfe s ALA 68 Cb -0.03 -0.96 -0.13 0.00 0.00 0.00 0.00 23.12 22.00 1wfe s ALA 68 CO 0.04 -0.18 0.47 1.63 0.00 0.00 0.00 175.76 177.71 1wfe n LYS 69 N 4.38 0.47 0.13 0.00 4.76 -1.26 -4.83 118.16 121.82 1wfe n LYS 69 Ca -0.19 0.17 0.12 0.00 -2.87 0.00 0.00 58.31 55.55 1wfe n LYS 69 Cb 0.51 -1.43 0.50 0.00 -1.84 0.00 0.00 35.03 32.76 1wfe n LYS 69 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1wfe n PRO 70 N 0.68 0.20 -2.73 1.97 -0.04 -1.26 -4.37 135.00 129.44 1wfe n PRO 70 Ca 0.11 0.43 -0.43 0.00 -0.04 0.00 0.00 63.50 63.58 1wfe n PRO 70 Cb 0.40 -1.88 -0.02 0.00 -0.04 0.00 0.00 33.50 31.96 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 -3.33 3.80 -0.05 0.54 1.70 -1.26 -4.72 118.95 115.63 1wfe s ARG 71 Ca 0.04 -1.80 0.12 0.00 -0.47 0.00 0.00 55.73 53.62 1wfe s ARG 71 Cb 0.09 -5.24 -0.23 0.00 -0.57 0.00 0.00 34.95 29.00 1wfe s ARG 71 CO 0.39 -2.02 0.65 0.00 -1.08 0.00 0.00 175.30 173.24 1wfe n MET 72 N 7.52 0.64 -4.19 3.89 0.00 -1.26 -4.97 117.12 118.75 1wfe n MET 72 Ca 0.36 0.30 -0.11 0.00 0.00 0.00 0.00 57.70 58.24 1wfe n MET 72 Cb 0.48 -1.79 -0.10 0.00 0.00 0.00 0.00 33.22 31.81 1wfe n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wfe s ALA 73 N -2.60 1.09 0.11 3.17 0.00 -1.26 -5.09 121.76 117.18 1wfe s ALA 73 Ca -0.05 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1wfe s ALA 73 Cb 0.08 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1wfe s ALA 73 CO 0.82 -0.31 0.00 0.00 0.00 0.00 0.00 175.76 176.27 1wfe n ALA 74 N -0.12 3.00 -2.30 0.00 0.00 -1.26 -5.11 120.51 114.71 1wfe n ALA 74 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 1wfe n ALA 74 Cb 0.62 0.25 -0.10 0.00 0.00 0.00 0.00 19.45 20.22 1wfe n ALA 74 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wfe s THR 75 N -2.00 1.34 -0.44 0.00 -4.23 -1.26 -5.12 115.64 103.93 1wfe s THR 75 Ca 0.00 -2.07 -0.15 0.00 -1.18 0.00 0.00 61.69 58.29 1wfe s THR 75 Cb 0.00 -1.87 0.05 0.00 1.34 0.00 0.00 72.50 72.02 1wfe s THR 75 CO 0.00 -0.67 0.34 0.00 -0.54 0.00 0.00 174.62 173.75 1wfe s GLN 76 N -3.60 2.96 -0.24 3.99 0.00 -1.26 -5.02 119.66 116.49 1wfe s GLN 76 Ca 0.17 -1.19 -0.05 0.00 -0.00 0.00 0.00 55.36 54.29 1wfe s GLN 76 Cb 0.01 -4.04 0.12 0.00 0.00 0.00 0.00 33.01 29.10 1wfe s GLN 76 CO 0.03 -0.89 0.46 0.21 0.00 0.00 0.00 175.29 175.10 1wfe s LYS 77 N 1.65 0.39 0.19 9.60 2.20 -1.26 -5.15 119.74 127.36 1wfe s LYS 77 Ca 0.04 0.91 -0.20 0.00 -0.36 0.00 0.00 55.97 56.37 1wfe s LYS 77 Cb -0.22 0.16 -0.08 0.00 -1.51 0.00 0.00 37.83 36.18 1wfe s LYS 77 CO 0.08 -0.43 0.69 -0.51 -0.36 0.00 0.00 175.35 174.83 1wfe s LEU 78 N 2.66 4.41 -0.12 5.43 1.43 -1.26 -5.07 118.68 126.16 1wfe s LEU 78 Ca 0.06 1.40 -0.02 0.00 -1.03 0.00 0.00 54.13 54.54 1wfe s LEU 78 Cb -0.14 -3.42 0.04 0.00 0.03 0.00 0.00 46.19 42.70 1wfe s LEU 78 CO -0.16 0.10 0.02 0.68 0.23 0.00 0.00 176.35 177.22 1wfe s VAL 79 N -1.41 0.39 -0.42 -1.59 -7.23 -1.26 -5.09 120.40 103.79 1wfe s VAL 79 Ca 0.39 -0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.47 1wfe s VAL 79 Cb -0.18 -0.69 0.13 0.00 0.56 0.00 0.00 36.38 36.20 1wfe s VAL 79 CO 0.21 0.07 0.22 -0.60 -0.31 0.00 0.00 175.10 174.69 1wfe s ARG 80 N 1.95 1.23 -0.05 4.82 3.00 -1.26 -5.09 118.95 123.56 1wfe s ARG 80 Ca 0.03 -1.90 -0.03 0.00 -1.00 0.00 0.00 55.73 52.83 1wfe s ARG 80 Cb -0.14 -2.34 0.02 0.00 0.00 0.00 0.00 34.95 32.49 1wfe s ARG 80 CO -0.06 -1.13 0.12 0.45 0.00 0.00 0.00 175.30 174.67 1wfe s SER 81 N 0.51 -0.11 0.02 -2.12 0.15 -1.26 -5.16 113.70 105.74 1wfe s SER 81 Ca 0.16 0.24 -0.06 0.00 0.70 0.00 0.00 55.95 56.99 1wfe s SER 81 Cb -0.24 0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 64.23 1wfe s SER 81 CO -0.03 -0.07 0.27 -0.83 1.20 0.00 0.00 173.24 173.79 1wfe s GLY 82 N 0.37 2.25 -0.99 9.45 0.00 -1.26 -5.01 107.32 112.13 1wfe s GLY 82 Ca -0.03 -0.58 -0.24 0.00 0.00 0.00 0.00 44.72 43.87 1wfe s GLY 82 CO -0.01 -0.41 1.95 2.56 0.00 0.00 0.00 173.10 177.18 1wfe s PRO 83 N -1.84 2.53 -0.18 2.90 0.04 -1.26 -4.72 135.00 132.47 1wfe s PRO 83 Ca 0.29 -0.56 -0.16 0.00 0.04 0.00 0.00 61.00 60.61 1wfe s PRO 83 Cb -0.13 -5.12 -0.12 0.00 0.04 0.00 0.00 34.50 29.17 1wfe s PRO 83 CO 0.17 -3.58 0.04 1.03 0.04 0.00 0.00 177.00 174.71 1wfe h SER 84 N 10.80 0.00 -3.58 6.66 0.87 -2.07 -3.44 113.55 122.79 1wfe h SER 84 Ca 0.13 -0.28 -0.68 0.00 -1.23 0.00 0.00 61.79 59.73 1wfe h SER 84 Cb 0.98 0.00 -0.36 0.00 -0.44 0.00 0.00 62.40 62.59 1wfe h SER 84 CO 1.21 1.16 -0.62 -0.55 -0.53 0.00 0.00 176.83 177.50 1wfe s SER 85 N -6.35 5.07 0.00 6.23 0.15 -1.26 -5.36 113.70 112.17 1wfe s SER 85 Ca -0.22 -1.95 0.00 0.00 0.70 0.00 0.00 55.95 54.47 1wfe s SER 85 Cb 0.04 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 1wfe s SER 85 CO 0.42 -0.46 0.11 0.61 1.20 0.00 0.00 173.24 175.13