#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 -1.12 0.11 1.61 0.15 -1.26 -5.17 113.70 108.02 1wfe s SER 2 Ca 0.00 1.54 -0.11 0.00 0.70 0.00 0.00 55.95 58.08 1wfe s SER 2 Cb 0.00 2.28 0.01 0.00 -1.71 0.00 0.00 66.02 66.59 1wfe s SER 2 CO 0.00 -0.21 0.26 -0.55 1.20 0.00 0.00 173.24 173.94 1wfe s SER 3 N 2.88 0.02 -0.12 5.45 0.15 -1.26 -5.18 113.70 115.64 1wfe s SER 3 Ca -0.06 -0.60 -0.30 0.00 0.70 0.00 0.00 55.95 55.69 1wfe s SER 3 Cb -0.12 0.39 0.09 0.00 -1.71 0.00 0.00 66.02 64.68 1wfe s SER 3 CO -0.19 -0.79 0.81 -0.83 1.20 0.00 0.00 173.24 173.44 1wfe s GLY 4 N -2.86 -0.44 -0.21 9.45 0.00 -1.26 -5.18 107.32 106.82 1wfe s GLY 4 Ca 0.06 1.70 -0.32 0.00 0.00 0.00 0.00 44.72 46.16 1wfe s GLY 4 CO -0.09 1.09 1.21 -1.35 0.00 0.00 0.00 173.10 173.95 1wfe s SER 5 N -0.97 -0.16 -0.23 1.64 1.04 -1.26 -5.15 113.70 108.61 1wfe s SER 5 Ca -0.06 0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.36 1wfe s SER 5 Cb -0.01 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 1wfe s SER 5 CO 0.05 -0.20 0.14 -0.44 0.98 0.00 0.00 173.24 173.77 1wfe s SER 6 N -1.64 5.95 0.00 7.02 0.01 -1.26 -5.03 113.70 118.74 1wfe s SER 6 Ca 0.07 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1wfe s SER 6 Cb -0.01 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1wfe s SER 6 CO -0.04 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1wfe n GLY 7 N 4.24 3.34 3.16 3.44 0.00 -1.26 -5.15 105.19 112.96 1wfe n GLY 7 Ca -0.15 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 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 2.64 5.15 0.99 0.00 0.15 -1.26 -5.13 113.70 116.25 1wfe s SER 9 Ca 0.05 -0.58 -0.15 0.00 0.70 0.00 0.00 55.95 55.97 1wfe s SER 9 Cb -0.14 -0.87 0.19 0.00 -1.71 0.00 0.00 66.02 63.50 1wfe s SER 9 CO -0.15 -0.39 1.21 -0.70 1.20 0.00 0.00 173.24 174.41 1wfe s GLU 10 N -3.99 0.42 -0.24 5.44 2.12 -1.26 -5.09 118.70 116.11 1wfe s GLU 10 Ca 0.41 -0.10 -0.03 0.00 0.36 0.00 0.00 54.97 55.62 1wfe s GLU 10 Cb -0.05 -1.79 0.13 0.00 0.26 0.00 0.00 34.13 32.68 1wfe s GLU 10 CO 0.26 -2.61 0.40 0.08 -0.54 0.00 0.00 175.26 172.85 1wfe s VAL 11 N -3.49 -0.64 -0.67 3.70 1.01 -1.26 -5.10 120.40 113.96 1wfe s VAL 11 Ca 0.70 -0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 1wfe s VAL 11 Cb -0.09 -0.81 0.17 0.00 0.00 0.00 0.00 36.38 35.66 1wfe s VAL 11 CO 0.53 -0.09 0.52 0.20 0.00 0.00 0.00 175.10 176.26 1wfe s ASN 12 N 2.58 5.65 -0.26 3.32 -0.87 -1.26 -5.01 114.94 119.08 1wfe s ASN 12 Ca 0.11 -2.77 -0.27 0.00 -1.57 0.00 0.00 52.86 48.37 1wfe s ASN 12 Cb -0.15 -1.95 0.16 0.00 -0.02 0.00 0.00 41.25 39.29 1wfe s ASN 12 CO -0.16 -0.44 1.22 0.54 -2.57 0.00 0.00 177.10 175.70 1wfe s VAL 13 N 0.06 0.00 -0.50 1.60 0.11 -1.26 -5.12 120.40 115.29 1wfe s VAL 13 Ca 0.17 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.03 1wfe s VAL 13 Cb -0.18 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.73 1wfe s VAL 13 CO -0.05 0.00 0.59 -0.69 -3.33 0.00 0.00 175.10 171.63 1wfe s VAL 14 N -0.41 4.92 -0.13 2.04 1.01 -1.26 -4.86 120.40 121.71 1wfe s VAL 14 Ca 0.05 -0.53 0.16 0.00 0.00 0.00 0.00 61.98 61.66 1wfe s VAL 14 Cb -0.03 -4.27 0.27 0.00 0.00 0.00 0.00 36.38 32.35 1wfe s VAL 14 CO -0.08 -0.76 1.15 0.29 0.00 0.00 0.00 175.10 175.70 1wfe n LYS 15 N 6.05 1.62 -3.85 2.72 5.02 -1.26 -4.93 118.16 123.53 1wfe n LYS 15 Ca -0.07 -2.46 -0.30 0.00 -2.02 0.00 0.00 58.31 53.46 1wfe n LYS 15 Cb 0.45 -1.46 -0.15 0.00 -0.02 0.00 0.00 35.03 33.85 1wfe n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1wfe s GLU 16 N -2.63 1.12 -0.15 1.97 0.41 -1.26 -5.08 118.70 113.08 1wfe s GLU 16 Ca 0.29 -1.14 -0.04 0.00 -0.41 0.00 0.00 54.97 53.67 1wfe s GLU 16 Cb 0.25 -2.42 0.07 0.00 -1.78 0.00 0.00 34.13 30.25 1wfe s GLU 16 CO 0.03 -0.83 0.22 1.03 -0.49 0.00 0.00 175.26 175.23 1wfe s ARG 17 N 1.44 0.14 1.12 1.61 0.52 -1.26 -5.16 118.95 117.35 1wfe s ARG 17 Ca 0.04 0.48 -0.16 0.00 -0.52 0.00 0.00 55.73 55.57 1wfe s ARG 17 Cb -0.18 -0.58 0.25 0.00 0.52 0.00 0.00 34.95 34.96 1wfe s ARG 17 CO -0.14 -0.45 1.10 -1.25 0.02 0.00 0.00 175.30 174.58 1wfe s PRO 18 N 2.35 -0.53 -0.33 3.54 0.04 -1.26 -5.03 135.00 133.78 1wfe s PRO 18 Ca 0.04 0.19 -0.07 0.00 0.04 0.00 0.00 61.00 61.20 1wfe s PRO 18 Cb -0.14 -1.65 0.03 0.00 0.04 0.00 0.00 34.50 32.78 1wfe s PRO 18 CO -0.09 -3.30 0.10 0.15 0.04 0.00 0.00 177.00 173.89 1wfe s LYS 19 N -5.20 2.70 0.09 4.56 1.02 -1.26 -4.95 119.74 116.70 1wfe s LYS 19 Ca 0.68 -1.12 -0.01 0.00 0.02 0.00 0.00 55.97 55.55 1wfe s LYS 19 Cb -0.14 -3.45 -0.26 0.00 -0.52 0.00 0.00 37.83 33.46 1wfe s LYS 19 CO 0.57 -0.63 1.18 0.00 -0.92 0.00 0.00 175.35 175.55 1wfe h THR 20 N 6.11 1.56 -3.10 2.17 1.03 -2.08 -3.44 112.91 115.17 1wfe h THR 20 Ca -0.25 -3.18 -0.32 0.00 -0.01 0.00 0.00 66.41 62.65 1wfe h THR 20 Cb 1.09 2.91 -0.37 0.00 -1.07 0.00 0.00 68.15 70.71 1wfe h THR 20 CO 0.60 0.92 -0.67 -1.81 -0.01 0.00 0.00 175.52 174.56 1wfe s ASP 21 N -7.00 0.99 -0.15 0.00 1.01 -1.26 -5.14 116.67 105.12 1wfe s ASP 21 Ca -0.02 0.18 -0.11 0.00 0.71 0.00 0.00 52.55 53.30 1wfe s ASP 21 Cb 0.08 0.16 0.05 0.00 1.01 0.00 0.00 42.92 44.21 1wfe s ASP 21 CO 0.86 -0.26 0.37 -1.83 0.21 0.00 0.00 175.17 174.53 1wfe s GLU 22 N 2.26 0.40 0.23 8.23 1.03 -1.26 -5.16 118.70 124.42 1wfe s GLU 22 Ca 0.04 0.61 -0.09 0.00 0.03 0.00 0.00 54.97 55.56 1wfe s GLU 22 Cb -0.13 0.09 -0.07 0.00 -0.80 0.00 0.00 34.13 33.23 1wfe s GLU 22 CO -0.06 -0.10 0.53 -1.01 -1.33 0.00 0.00 175.26 173.30 1wfe s HIS 23 N 0.73 3.43 -0.12 4.83 3.76 -1.26 -5.09 115.29 121.57 1wfe s HIS 23 Ca -0.04 0.83 -0.07 0.00 -0.15 0.00 0.00 55.06 55.63 1wfe s HIS 23 Cb -0.05 -2.23 -0.04 0.00 1.11 0.00 0.00 32.58 31.37 1wfe s HIS 23 CO -0.05 0.28 0.13 0.21 -0.85 0.00 0.00 174.74 174.46 1wfe s LYS 24 N -2.84 3.45 -0.25 1.40 2.20 -1.26 -5.07 119.74 117.37 1wfe s LYS 24 Ca 0.47 -0.15 -0.16 0.00 -0.36 0.00 0.00 55.97 55.77 1wfe s LYS 24 Cb -0.11 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 1wfe s LYS 24 CO 0.22 0.75 0.41 -1.54 -0.36 0.00 0.00 175.35 174.83 1wfe s SER 25 N -0.96 6.34 -0.16 1.43 1.04 -1.26 -4.34 113.70 115.80 1wfe s SER 25 Ca 0.15 0.40 -0.08 0.00 0.48 0.00 0.00 55.95 56.90 1wfe s SER 25 Cb -0.12 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.73 1wfe s SER 25 CO 0.04 -0.17 0.12 -0.31 0.98 0.00 0.00 173.24 173.90 1wfe s TYR 26 N 1.87 3.46 -0.09 5.02 2.02 -0.86 -4.90 117.35 123.87 1wfe s TYR 26 Ca 0.17 0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 57.04 1wfe s TYR 26 Cb -0.15 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 1wfe s TYR 26 CO 0.09 0.48 0.60 -1.54 -1.57 0.00 0.00 175.55 173.62 1wfe s SER 27 N -0.33 6.86 0.45 2.29 1.04 -1.26 -2.67 113.70 120.08 1wfe s SER 27 Ca 0.11 1.03 -0.24 0.00 0.48 0.00 0.00 55.95 57.33 1wfe s SER 27 Cb -0.12 -2.36 -0.10 0.00 0.10 0.00 0.00 66.02 63.55 1wfe s SER 27 CO 0.01 -0.06 1.03 0.00 0.98 0.00 0.00 173.24 175.20 1wfe n SER 29 N 0.31 1.61 -4.67 0.00 2.88 -0.46 -4.82 113.62 108.46 1wfe n SER 29 Ca 0.10 -2.10 -0.38 0.00 -1.33 0.00 0.00 58.87 55.15 1wfe n SER 29 Cb 0.40 -0.30 -0.07 0.00 -0.75 0.00 0.00 64.21 63.49 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 -1.64 3.38 -1.20 0.66 2.19 -1.26 -5.00 117.98 115.12 1wfe s PHE 30 Ca 0.15 0.67 -0.21 0.00 0.33 0.00 0.00 56.93 57.87 1wfe s PHE 30 Cb 0.09 -2.56 -0.00 0.00 -1.31 0.00 0.00 43.02 39.24 1wfe s PHE 30 CO 0.08 -0.02 1.80 0.21 1.83 0.00 0.00 175.22 179.11 1wfe s LYS 31 N 1.36 3.28 0.00 10.12 2.20 -1.26 -2.82 119.74 132.61 1wfe s LYS 31 Ca 0.21 -1.47 0.00 0.00 -0.36 0.00 0.00 55.97 54.35 1wfe s LYS 31 Cb -0.15 -5.37 0.00 0.00 -1.51 0.00 0.00 37.83 30.80 1wfe s LYS 31 CO 0.08 -2.99 0.00 0.41 -0.36 0.00 0.00 175.35 172.50 1wfe n GLY 32 N 5.82 0.90 0.01 5.54 0.00 -1.26 -5.03 105.19 111.17 1wfe n GLY 32 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.97 -0.91 -4.29 0.00 -2.24 -1.26 -4.89 114.28 98.72 1wfe n THR 34 Ca -0.05 -0.32 -0.24 0.00 -2.27 0.00 0.00 64.05 61.18 1wfe n THR 34 Cb 0.44 -0.83 -0.12 0.00 -2.10 0.00 0.00 70.33 67.71 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 -3.93 2.49 0.16 3.42 1.01 -1.26 -5.04 116.67 113.52 1wfe s ASP 35 Ca 0.10 -0.68 0.02 0.00 0.71 0.00 0.00 52.55 52.69 1wfe s ASP 35 Cb -0.05 -0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.70 1wfe s ASP 35 CO 0.60 0.05 -0.01 0.68 0.21 0.00 0.00 175.17 176.70 1wfe s VAL 36 N -1.16 0.66 0.00 -1.27 -7.23 -1.26 -1.17 120.40 108.97 1wfe s VAL 36 Ca 0.06 -1.97 -0.15 0.00 -1.81 0.00 0.00 61.98 58.11 1wfe s VAL 36 Cb -0.10 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.83 1wfe s VAL 36 CO 0.04 -0.55 0.33 -1.61 -0.31 0.00 0.00 175.10 173.00 1wfe s GLU 37 N -3.90 0.74 0.46 4.82 0.41 -1.09 -4.95 118.70 115.18 1wfe s GLU 37 Ca 0.22 -0.27 0.11 0.00 -0.41 0.00 0.00 54.97 54.61 1wfe s GLU 37 Cb 0.06 0.33 1.04 0.00 -1.78 0.00 0.00 34.13 33.77 1wfe s GLU 37 CO 0.02 -0.22 2.09 -0.07 -0.49 0.00 0.00 175.26 176.59 1wfe h LEU 38 N 3.60 0.24-10.04 1.80 3.38 -1.92 -2.28 115.31 110.10 1wfe h LEU 38 Ca -0.30 -0.01 -0.49 0.00 0.09 0.00 0.00 57.88 57.17 1wfe h LEU 38 Cb 1.18 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1wfe h LEU 38 CO 0.42 0.19 -0.46 0.68 0.09 0.00 0.00 178.44 179.37 1wfe s VAL 39 N -5.25 3.80 -0.40 1.22 -7.23 -1.26 -4.09 120.40 107.20 1wfe s VAL 39 Ca -0.07 -1.34 -0.06 0.00 -1.81 0.00 0.00 61.98 58.71 1wfe s VAL 39 Cb 0.17 -3.26 0.09 0.00 0.56 0.00 0.00 36.38 33.94 1wfe s VAL 39 CO 0.70 -0.21 0.20 0.00 -0.31 0.00 0.00 175.10 175.48 1wfe s ALA 40 N -2.25 3.16 -1.03 1.32 0.00 -1.26 -4.59 121.76 117.11 1wfe s ALA 40 Ca 0.39 -2.24 -0.20 0.00 0.00 0.00 0.00 51.96 49.91 1wfe s ALA 40 Cb -0.07 -2.45 0.09 0.00 0.00 0.00 0.00 23.12 20.70 1wfe s ALA 40 CO 0.27 -1.65 1.36 0.08 0.00 0.00 0.00 175.76 175.81 1wfe s VAL 41 N 1.29 4.34 0.19 0.00 1.01 -1.25 -4.96 120.40 121.02 1wfe s VAL 41 Ca 0.04 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 60.38 1wfe s VAL 41 Cb -0.22 -4.96 -0.08 0.00 0.00 0.00 0.00 36.38 31.12 1wfe s VAL 41 CO -0.01 -1.76 0.92 -0.63 0.00 0.00 0.00 175.10 173.62 1wfe s ILE 42 N 3.76 4.26 -0.19 2.22 -1.09 -1.26 -1.26 121.20 127.63 1wfe s ILE 42 Ca 0.42 2.02 -0.19 0.00 -2.23 0.00 0.00 60.65 60.67 1wfe s ILE 42 Cb -0.02 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.53 1wfe s ILE 42 CO -0.07 0.44 0.54 0.00 -1.23 0.00 0.00 174.94 174.62 1wfe n PRO 44 N 4.76 0.49 -0.02 0.00 -0.04 -1.26 0.70 135.00 139.64 1wfe n PRO 44 Ca -0.04 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.38 1wfe n PRO 44 Cb 0.50 -1.23 -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 -0.73 0.00 1.04 0.54 4.02 -1.26 -4.73 117.16 116.04 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 -0.22 0.19 0.00 -0.02 0.00 0.00 39.34 39.31 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 -1.30 -7.32 -4.28 0.00 1.02 0.22 -4.98 120.64 104.01 1wfe n GLU 47 Ca 0.06 0.84 -0.21 0.00 -0.02 0.00 0.00 57.16 57.83 1wfe n GLU 47 Cb 0.34 -5.87 -0.12 0.00 -0.02 0.00 0.00 31.44 25.77 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 -5.85 1.11 -0.14 3.49 1.02 -1.24 -4.79 119.74 113.35 1wfe s LYS 48 Ca 0.30 -1.24 -0.15 0.00 0.02 0.00 0.00 55.97 54.89 1wfe s LYS 48 Cb -0.13 -1.18 -0.05 0.00 -0.52 0.00 0.00 37.83 35.96 1wfe s LYS 48 CO 0.73 0.25 0.35 0.54 -0.92 0.00 0.00 175.35 176.30 1wfe s ASN 49 N -2.29 6.52 0.28 2.83 4.22 -1.26 0.09 114.94 125.34 1wfe s ASN 49 Ca 0.09 0.61 0.02 0.00 -2.14 0.00 0.00 52.86 51.45 1wfe s ASN 49 Cb -0.07 -2.22 -0.05 0.00 1.28 0.00 0.00 41.25 40.19 1wfe s ASN 49 CO 0.04 0.07 0.09 -0.36 -2.04 0.00 0.00 177.10 174.91 1wfe s PHE 50 N 0.48 1.69 0.33 1.54 0.40 -0.39 -1.36 117.98 120.66 1wfe s PHE 50 Ca 0.20 -1.12 -0.22 0.00 -0.60 0.00 0.00 56.93 55.19 1wfe s PHE 50 Cb -0.14 -1.03 -0.10 0.00 0.51 0.00 0.00 43.02 42.27 1wfe s PHE 50 CO 0.06 -0.23 0.87 0.00 0.70 0.00 0.00 175.22 176.62 1wfe n LEU 52 N 0.11 0.24 -0.15 0.00 7.99 -1.26 0.24 117.00 124.18 1wfe n LEU 52 Ca 0.03 1.32 -0.09 0.00 -0.01 0.00 0.00 56.01 57.26 1wfe n LEU 52 Cb 0.52 -0.63 -0.00 0.00 -0.11 0.00 0.00 43.42 43.20 1wfe n LEU 52 CO 0.42 -1.46 0.95 -0.09 -1.51 0.00 0.00 177.39 175.69 1wfe h ARG 53 N 0.00 0.64 -0.77 3.23 9.65 -2.00 -2.80 114.38 122.32 1wfe h ARG 53 Ca 0.66 -0.11 -0.38 0.00 -1.10 0.00 0.00 59.98 59.05 1wfe h ARG 53 Cb 1.71 -0.11 -0.23 0.00 -1.39 0.00 0.00 29.97 29.96 1wfe h ARG 53 CO -0.62 0.57 0.39 0.72 2.80 0.00 0.00 179.97 183.83 1wfe n HIS 54 N -4.64 2.40 -0.10 2.20 8.25 0.65 -4.57 115.22 119.42 1wfe n HIS 54 Ca 0.01 -1.69 -0.12 0.00 -0.26 0.00 0.00 57.72 55.66 1wfe n HIS 54 Cb 0.13 -0.78 -0.04 0.00 1.12 0.00 0.00 29.99 30.43 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 1.21 0.63 -7.17 -0.41 0.11 0.10 -3.37 114.38 105.48 1wfe h ARG 55 Ca 0.47 -0.26 -0.46 0.00 0.10 0.00 0.00 59.98 59.82 1wfe h ARG 55 Cb 2.44 -0.02 0.21 0.00 1.11 0.00 0.00 29.97 33.71 1wfe h ARG 55 CO 0.85 0.84 0.06 -1.01 0.10 0.00 0.00 179.97 180.81 1wfe s HIS 56 N -4.66 1.37 0.00 4.08 3.76 -1.26 -4.89 115.29 113.68 1wfe s HIS 56 Ca -0.13 1.38 0.00 0.00 -0.15 0.00 0.00 55.06 56.16 1wfe s HIS 56 Cb 0.09 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.61 1wfe s HIS 56 CO 0.80 -3.64 0.38 1.04 -0.85 0.00 0.00 174.74 172.47 1wfe n GLN 57 N -4.78 0.00 -0.38 1.40 6.02 -1.26 -3.12 117.38 115.26 1wfe n GLN 57 Ca 0.05 0.28 0.29 0.00 -0.01 0.00 0.00 57.00 57.62 1wfe n GLN 57 Cb 0.53 -1.03 0.57 0.00 1.02 0.00 0.00 30.24 31.34 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 0.36 -0.28 1.08 0.02 -1.94 0.14 113.55 112.93 1wfe h SER 58 Ca 0.00 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1wfe h SER 58 Cb 0.00 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.55 1wfe h SER 58 CO 0.00 -0.07 -0.20 0.44 -1.14 0.00 0.00 176.83 175.86 1wfe h ASP 59 N 0.24 -0.66 -0.53 3.07 5.19 -1.90 0.02 116.42 121.85 1wfe h ASP 59 Ca 0.72 0.13 -0.13 0.00 -0.62 0.00 0.00 57.03 57.13 1wfe h ASP 59 Cb 2.02 0.33 -0.08 0.00 0.18 0.00 0.00 39.33 41.78 1wfe h ASP 59 CO -0.39 -0.24 0.17 0.00 -3.12 0.00 0.00 179.24 175.66 1wfe n HIS 60 N -5.36 1.78 -4.01 4.55 1.44 0.42 -4.91 115.22 109.13 1wfe n HIS 60 Ca -0.00 -0.86 -0.32 0.00 -2.01 0.00 0.00 57.72 54.53 1wfe n HIS 60 Cb 0.27 -0.53 -0.02 0.00 0.12 0.00 0.00 29.99 29.83 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 0.05 -1.63 -4.40 4.39 5.75 -0.01 -4.67 116.55 116.04 1wfe n ASP 61 Ca 0.28 -1.13 -0.56 0.00 -0.01 0.00 0.00 54.79 53.37 1wfe n ASP 61 Cb 1.09 -2.51 -0.09 0.00 -1.03 0.00 0.00 41.12 38.57 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 9.97 0.73 -0.62 0.00 4.11 -1.93 -1.89 114.58 124.94 1wfe h GLU 63 Ca -0.22 -0.04 0.11 0.00 0.07 0.00 0.00 59.36 59.28 1wfe h GLU 63 Cb 1.37 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.37 1wfe h GLU 63 CO 1.04 0.48 0.17 0.87 0.07 0.00 0.00 179.01 181.64 1wfe h LYS 64 N 0.75 0.30 -6.19 1.06 1.79 -1.91 -3.43 116.57 108.93 1wfe h LYS 64 Ca 0.36 -0.02 -0.50 0.00 -2.18 0.00 0.00 60.65 58.31 1wfe h LYS 64 Cb 0.40 -0.07 0.25 0.00 -1.58 0.00 0.00 32.23 31.23 1wfe h LYS 64 CO -0.13 0.20 -2.03 1.28 -1.08 0.00 0.00 179.45 177.69 1wfe n LEU 65 N -5.08 -3.44 -1.85 2.94 4.77 -0.71 -4.80 117.00 108.83 1wfe n LEU 65 Ca 0.09 0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 1wfe n LEU 65 Cb 0.32 -0.71 0.08 0.00 -2.33 0.00 0.00 43.42 40.78 1wfe n LEU 65 CO 0.18 -3.64 1.11 -1.84 -1.33 0.00 0.00 177.39 171.87 1wfe n GLU 66 N 1.30 1.86 -3.84 3.23 0.00 -1.26 -4.85 120.64 117.08 1wfe n GLU 66 Ca -0.01 -1.85 -0.36 0.00 0.00 0.00 0.00 57.16 54.94 1wfe n GLU 66 Cb 0.66 -1.73 -0.13 0.00 0.00 0.00 0.00 31.44 30.24 1wfe n GLU 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1wfe s VAL 67 N -2.36 3.64 -0.16 3.84 0.11 -1.26 -5.09 120.40 119.11 1wfe s VAL 67 Ca 0.36 -0.61 -0.08 0.00 -2.93 0.00 0.00 61.98 58.72 1wfe s VAL 67 Cb 0.29 -2.78 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1wfe s VAL 67 CO 0.03 0.25 0.13 0.00 -3.33 0.00 0.00 175.10 172.18 1wfe s ALA 68 N 1.48 3.76 -0.10 1.54 0.00 -1.26 -4.96 121.76 122.23 1wfe s ALA 68 Ca 0.04 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 1wfe s ALA 68 Cb -0.16 -2.06 0.03 0.00 0.00 0.00 0.00 23.12 20.93 1wfe s ALA 68 CO -0.00 0.38 0.27 0.15 0.00 0.00 0.00 175.76 176.55 1wfe s LYS 69 N -0.30 0.31 0.00 0.00 -0.14 -1.26 -5.02 119.74 113.33 1wfe s LYS 69 Ca 0.11 0.38 0.15 0.00 -1.36 0.00 0.00 55.97 55.25 1wfe s LYS 69 Cb -0.12 0.14 0.73 0.00 -1.68 0.00 0.00 37.83 36.90 1wfe s LYS 69 CO 0.01 -0.04 1.41 -0.35 -0.76 0.00 0.00 175.35 175.62 1wfe n PRO 70 N 2.99 0.18 -1.68 -1.68 -0.04 -1.26 -4.80 135.00 128.72 1wfe n PRO 70 Ca -0.13 0.16 -0.46 0.00 -0.04 0.00 0.00 63.50 63.03 1wfe n PRO 70 Cb 0.58 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.31 2.40 -0.82 0.54 5.12 -1.26 -4.92 116.66 116.41 1wfe n ARG 71 Ca 0.07 0.87 -0.33 0.00 -1.93 0.00 0.00 57.85 56.53 1wfe n ARG 71 Cb 0.12 -2.73 0.12 0.00 -1.16 0.00 0.00 32.46 28.81 1wfe n ARG 71 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1wfe n MET 72 N 6.06 -0.26 -4.09 5.56 2.81 -1.26 -5.03 117.12 120.90 1wfe n MET 72 Ca 0.20 -0.04 -0.10 0.00 -1.81 0.00 0.00 57.70 55.96 1wfe n MET 72 Cb 0.33 -1.83 -0.08 0.00 -0.71 0.00 0.00 33.22 30.92 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 -2.37 0.55 1.02 3.04 0.00 -1.26 -5.13 121.76 117.62 1wfe s ALA 73 Ca 0.57 -1.29 -0.17 0.00 0.00 0.00 0.00 51.96 51.06 1wfe s ALA 73 Cb -0.21 1.07 0.23 0.00 0.00 0.00 0.00 23.12 24.20 1wfe s ALA 73 CO 0.68 -0.62 1.29 0.00 0.00 0.00 0.00 175.76 177.11 1wfe s ALA 74 N -4.06 1.88 -0.21 0.00 0.00 -1.26 -5.04 121.76 113.07 1wfe s ALA 74 Ca 0.27 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 1wfe s ALA 74 Cb 0.05 -2.78 -0.11 0.00 0.00 0.00 0.00 23.12 20.28 1wfe s ALA 74 CO 0.06 -2.73 -0.23 2.41 0.00 0.00 0.00 175.76 175.26 1wfe n THR 75 N -4.00 1.17 -1.50 0.00 -1.04 -1.26 -5.00 114.28 102.65 1wfe n THR 75 Ca 0.15 -0.36 -0.57 0.00 -2.04 0.00 0.00 64.05 61.23 1wfe n THR 75 Cb 0.59 -1.54 -0.07 0.00 -1.82 0.00 0.00 70.33 67.49 1wfe n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wfe n GLN 76 N -3.58 0.15 -3.60 -2.82 6.02 -1.26 -4.94 117.38 107.34 1wfe n GLN 76 Ca -0.40 0.05 0.01 0.00 -0.01 0.00 0.00 57.00 56.66 1wfe n GLN 76 Cb 0.84 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 30.50 1wfe n GLN 76 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1wfe s LYS 77 N -0.02 0.17 0.20 -1.09 0.00 -1.26 -5.18 119.74 112.56 1wfe s LYS 77 Ca 0.88 0.31 0.04 0.00 0.00 0.00 0.00 55.97 57.20 1wfe s LYS 77 Cb -1.20 0.06 -0.03 0.00 0.00 0.00 0.00 37.83 36.65 1wfe s LYS 77 CO 0.56 -0.04 0.31 -0.48 0.00 0.00 0.00 175.35 175.70 1wfe s LEU 78 N 1.28 4.26 -0.29 2.77 2.34 -1.26 -5.12 118.68 122.67 1wfe s LEU 78 Ca -0.08 0.07 -0.22 0.00 0.06 0.00 0.00 54.13 53.97 1wfe s LEU 78 Cb -0.03 -2.82 0.14 0.00 -0.56 0.00 0.00 46.19 42.93 1wfe s LEU 78 CO -0.12 -0.01 1.09 0.54 -1.06 0.00 0.00 176.35 176.78 1wfe s VAL 79 N -1.89 0.00 0.30 1.48 0.11 -1.26 -5.08 120.40 114.07 1wfe s VAL 79 Ca 0.34 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.46 1wfe s VAL 79 Cb -0.10 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.69 1wfe s VAL 79 CO 0.28 0.00 -0.05 0.00 -3.33 0.00 0.00 175.10 172.00 1wfe s ARG 80 N 0.61 1.63 -0.13 1.54 3.03 -1.26 -5.14 118.95 119.23 1wfe s ARG 80 Ca -0.01 -1.84 -0.07 0.00 2.03 0.00 0.00 55.73 55.84 1wfe s ARG 80 Cb -0.04 -1.27 -0.04 0.00 -1.03 0.00 0.00 34.95 32.57 1wfe s ARG 80 CO -0.11 0.04 0.12 -1.12 -1.13 0.00 0.00 175.30 173.10 1wfe s SER 81 N -3.49 6.20 0.53 -2.89 0.01 -1.26 -5.09 113.70 107.70 1wfe s SER 81 Ca 0.31 0.38 -0.17 0.00 1.31 0.00 0.00 55.95 57.79 1wfe s SER 81 Cb 0.04 -2.00 -0.07 0.00 0.21 0.00 0.00 66.02 64.20 1wfe s SER 81 CO 0.13 0.37 1.00 -0.83 0.41 0.00 0.00 173.24 174.32 1wfe s GLY 82 N -0.77 2.09 -0.94 3.44 0.00 -1.26 -4.94 107.32 104.93 1wfe s GLY 82 Ca 0.13 0.24 -0.24 0.00 0.00 0.00 0.00 44.72 44.85 1wfe s GLY 82 CO 0.03 0.52 1.94 2.56 0.00 0.00 0.00 173.10 178.15 1wfe s PRO 83 N -4.04 2.55 -0.33 2.90 0.04 -1.26 -4.92 135.00 129.94 1wfe s PRO 83 Ca 0.60 -0.42 -0.02 0.00 0.04 0.00 0.00 61.00 61.21 1wfe s PRO 83 Cb -0.11 -5.09 0.07 0.00 0.04 0.00 0.00 34.50 29.40 1wfe s PRO 83 CO 0.32 -3.47 0.05 0.45 0.04 0.00 0.00 177.00 174.39 1wfe s SER 84 N 7.81 4.96 -0.15 6.66 0.15 -1.26 -5.06 113.70 126.81 1wfe s SER 84 Ca 0.70 -1.50 -0.30 0.00 0.70 0.00 0.00 55.95 55.55 1wfe s SER 84 Cb -0.06 -1.73 0.12 0.00 -1.71 0.00 0.00 66.02 62.64 1wfe s SER 84 CO 0.01 -0.33 0.97 -0.55 1.20 0.00 0.00 173.24 174.55 1wfe s SER 85 N 1.36 -0.39 0.00 5.45 0.15 -1.26 -5.28 113.70 113.73 1wfe s SER 85 Ca -0.01 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1wfe s SER 85 Cb -0.20 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1wfe s SER 85 CO -0.02 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.66