#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 -0.23 0.33 1.61 0.01 -1.26 -5.19 113.70 108.98 1wfe s SER 2 Ca 0.00 -0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.15 1wfe s SER 2 Cb 0.00 0.36 -0.07 0.00 0.21 0.00 0.00 66.02 66.53 1wfe s SER 2 CO 0.00 -0.63 0.01 -0.94 0.41 0.00 0.00 173.24 172.09 1wfe s SER 3 N -2.68 2.83 -0.16 2.44 1.04 -1.26 -5.14 113.70 110.76 1wfe s SER 3 Ca 0.09 -1.32 -0.03 0.00 0.48 0.00 0.00 55.95 55.17 1wfe s SER 3 Cb -0.00 -0.18 0.05 0.00 0.10 0.00 0.00 66.02 65.99 1wfe s SER 3 CO -0.04 -0.49 0.05 -0.83 0.98 0.00 0.00 173.24 172.91 1wfe s GLY 4 N -3.52 0.55 0.83 7.32 0.00 -1.26 -5.13 107.32 106.10 1wfe s GLY 4 Ca 0.34 -0.46 -0.13 0.00 0.00 0.00 0.00 44.72 44.46 1wfe s GLY 4 CO 0.15 1.47 0.98 -1.14 0.00 0.00 0.00 173.10 174.57 1wfe n SER 5 N 5.14 0.18 -0.10 1.64 3.41 -1.26 -4.99 113.62 117.65 1wfe n SER 5 Ca -0.08 0.53 -0.20 0.00 -0.26 0.00 0.00 58.87 58.86 1wfe n SER 5 Cb 0.48 -1.42 -0.07 0.00 -0.26 0.00 0.00 64.21 62.94 1wfe n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wfe n SER 6 N -2.65 1.61 -0.05 4.04 7.64 -1.26 -5.13 113.62 117.82 1wfe n SER 6 Ca 0.12 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1wfe n SER 6 Cb 0.51 -0.66 -0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1wfe n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfe n GLY 7 N 1.66 -2.75 2.85 0.23 0.00 -1.26 -5.02 105.19 100.90 1wfe n GLY 7 Ca -0.37 -1.35 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 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 2.31 1.95 0.35 0.00 1.04 -1.26 -5.14 113.70 112.95 1wfe s SER 9 Ca 0.03 -0.32 0.05 0.00 0.48 0.00 0.00 55.95 56.19 1wfe s SER 9 Cb -0.12 -0.53 -0.03 0.00 0.10 0.00 0.00 66.02 65.43 1wfe s SER 9 CO -0.07 0.13 0.19 -0.70 0.98 0.00 0.00 173.24 173.77 1wfe s GLU 10 N 0.07 1.75 -0.29 4.02 2.12 -1.26 -5.17 118.70 119.94 1wfe s GLU 10 Ca -0.04 -2.03 -0.16 0.00 0.36 0.00 0.00 54.97 53.10 1wfe s GLU 10 Cb -0.11 -0.13 0.17 0.00 0.26 0.00 0.00 34.13 34.32 1wfe s GLU 10 CO 0.02 -0.52 1.08 0.54 -0.54 0.00 0.00 175.26 175.83 1wfe s VAL 11 N -3.43 -0.05 0.39 3.70 0.11 -1.26 -5.18 120.40 114.68 1wfe s VAL 11 Ca 0.33 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.42 1wfe s VAL 11 Cb 0.03 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 1wfe s VAL 11 CO 0.20 0.00 0.56 0.54 -3.33 0.00 0.00 175.10 173.07 1wfe s ASN 12 N 1.39 5.91 -0.21 3.54 4.22 -1.26 -5.10 114.94 123.42 1wfe s ASN 12 Ca -0.08 0.02 0.02 0.00 -2.14 0.00 0.00 52.86 50.68 1wfe s ASN 12 Cb -0.03 -1.37 0.04 0.00 1.28 0.00 0.00 41.25 41.17 1wfe s ASN 12 CO -0.14 -0.55 -0.13 -0.69 -2.04 0.00 0.00 177.10 173.55 1wfe s VAL 13 N -2.34 1.90 0.17 3.54 1.01 -1.26 -5.11 120.40 118.31 1wfe s VAL 13 Ca 0.46 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1wfe s VAL 13 Cb -0.10 -1.93 -0.07 0.00 0.00 0.00 0.00 36.38 34.28 1wfe s VAL 13 CO 0.34 0.19 0.93 -0.69 0.00 0.00 0.00 175.10 175.87 1wfe s VAL 14 N 1.28 4.29 0.01 2.92 1.01 -1.26 -5.06 120.40 123.59 1wfe s VAL 14 Ca -0.02 2.05 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1wfe s VAL 14 Cb -0.17 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 1wfe s VAL 14 CO -0.08 0.42 -0.01 -0.54 0.00 0.00 0.00 175.10 174.88 1wfe s LYS 15 N -0.63 0.13 -0.29 2.72 1.02 -1.26 -5.15 119.74 116.28 1wfe s LYS 15 Ca 0.43 -0.26 -0.14 0.00 0.02 0.00 0.00 55.97 56.03 1wfe s LYS 15 Cb -0.24 0.04 0.13 0.00 -0.52 0.00 0.00 37.83 37.23 1wfe s LYS 15 CO 0.30 -0.02 0.81 -2.00 -0.92 0.00 0.00 175.35 173.53 1wfe s GLU 16 N -0.61 0.50 -0.11 1.68 2.56 -1.26 -5.16 118.70 116.30 1wfe s GLU 16 Ca -0.07 1.06 -0.05 0.00 0.00 0.00 0.00 54.97 55.92 1wfe s GLU 16 Cb -0.04 0.43 0.06 0.00 2.00 0.00 0.00 34.13 36.57 1wfe s GLU 16 CO -0.00 -0.14 0.24 1.03 -0.56 0.00 0.00 175.26 175.83 1wfe s ARG 17 N 2.17 0.15 1.00 4.30 1.81 -1.26 -5.16 118.95 121.95 1wfe s ARG 17 Ca -0.07 0.64 -0.12 0.00 -1.72 0.00 0.00 55.73 54.46 1wfe s ARG 17 Cb -0.07 -0.10 0.19 0.00 -0.45 0.00 0.00 34.95 34.52 1wfe s ARG 17 CO -0.18 -0.25 1.09 -1.25 -0.68 0.00 0.00 175.30 174.04 1wfe s PRO 18 N 1.99 0.43 0.90 3.54 0.04 -1.26 -5.06 135.00 135.58 1wfe s PRO 18 Ca -0.02 0.54 -0.12 0.00 0.04 0.00 0.00 61.00 61.44 1wfe s PRO 18 Cb -0.11 -1.74 0.18 0.00 0.04 0.00 0.00 34.50 32.87 1wfe s PRO 18 CO -0.08 -2.73 1.23 0.15 0.04 0.00 0.00 177.00 175.61 1wfe s LYS 19 N -4.96 0.91 -0.40 4.56 -0.14 -1.26 -4.85 119.74 113.60 1wfe s LYS 19 Ca 0.65 -0.63 -0.29 0.00 -1.36 0.00 0.00 55.97 54.34 1wfe s LYS 19 Cb -0.19 -1.98 -0.14 0.00 -1.68 0.00 0.00 37.83 33.85 1wfe s LYS 19 CO 0.58 -2.16 1.55 2.41 -0.76 0.00 0.00 175.35 176.97 1wfe n THR 20 N -3.51 0.00 -2.27 2.17 -1.04 -1.26 -4.76 114.28 103.61 1wfe n THR 20 Ca 0.15 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.74 1wfe n THR 20 Cb 0.60 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1wfe n THR 20 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1wfe n ASP 21 N 5.54 4.85 -3.54 8.00 8.00 -1.26 -4.90 116.55 133.24 1wfe n ASP 21 Ca 0.40 -3.04 -0.13 0.00 0.71 0.00 0.00 54.79 52.72 1wfe n ASP 21 Cb -0.02 -1.53 -0.05 0.00 -0.02 0.00 0.00 41.12 39.50 1wfe n ASP 21 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wfe s GLU 22 N 1.14 1.75 0.89 -1.24 2.02 -1.26 -5.16 118.70 116.85 1wfe s GLU 22 Ca 0.42 -1.61 -0.11 0.00 0.02 0.00 0.00 54.97 53.69 1wfe s GLU 22 Cb 0.09 0.43 0.13 0.00 0.10 0.00 0.00 34.13 34.89 1wfe s GLU 22 CO -0.01 -0.71 1.16 -3.38 0.02 0.00 0.00 175.26 172.33 1wfe s HIS 23 N -3.41 1.65 0.15 1.61 -3.43 -1.26 -4.89 115.29 105.70 1wfe s HIS 23 Ca 0.29 1.77 -0.31 0.00 -0.80 0.00 0.00 55.06 56.01 1wfe s HIS 23 Cb 0.00 -3.37 -0.10 0.00 -1.43 0.00 0.00 32.58 27.68 1wfe s HIS 23 CO 0.16 -2.82 1.70 0.15 -2.00 0.00 0.00 174.74 171.93 1wfe s LYS 24 N -4.55 4.16 -0.06 -0.38 1.02 -1.26 -5.00 119.74 113.68 1wfe s LYS 24 Ca 0.68 2.49 0.01 0.00 0.02 0.00 0.00 55.97 59.17 1wfe s LYS 24 Cb -0.24 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.75 1wfe s LYS 24 CO 0.56 -0.74 -0.04 -1.54 -0.92 0.00 0.00 175.35 172.67 1wfe s SER 25 N 1.85 1.23 -0.21 2.83 1.04 -1.26 -4.13 113.70 115.05 1wfe s SER 25 Ca 0.75 -0.15 -0.04 0.00 0.48 0.00 0.00 55.95 57.00 1wfe s SER 25 Cb -0.45 -0.51 -0.01 0.00 0.10 0.00 0.00 66.02 65.15 1wfe s SER 25 CO 0.33 -0.08 -0.05 -0.31 0.98 0.00 0.00 173.24 174.12 1wfe s TYR 26 N 1.15 2.95 0.16 5.02 1.51 -1.19 -4.91 117.35 122.05 1wfe s TYR 26 Ca -0.07 -0.90 -0.30 0.00 -1.01 0.00 0.00 57.07 54.79 1wfe s TYR 26 Cb -0.14 -2.09 -0.07 0.00 -0.11 0.00 0.00 41.96 39.55 1wfe s TYR 26 CO -0.01 -0.52 1.15 -1.12 -1.11 0.00 0.00 175.55 173.94 1wfe s SER 27 N 1.40 7.18 0.22 2.29 0.01 -1.26 -3.52 113.70 120.02 1wfe s SER 27 Ca 0.05 2.12 -0.31 0.00 1.31 0.00 0.00 55.95 59.12 1wfe s SER 27 Cb -0.14 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.38 1wfe s SER 27 CO -0.03 -0.31 1.52 0.00 0.41 0.00 0.00 173.24 174.83 1wfe n SER 29 N 3.02 5.44 -4.81 0.00 2.88 0.00 -4.62 113.62 115.54 1wfe n SER 29 Ca 0.10 -3.24 -0.29 0.00 -1.33 0.00 0.00 58.87 54.11 1wfe n SER 29 Cb 0.39 -0.90 -0.06 0.00 -0.75 0.00 0.00 64.21 62.90 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 -2.46 3.22 -0.62 0.66 5.36 -1.26 -5.00 117.98 117.88 1wfe s PHE 30 Ca 0.42 0.06 -0.27 0.00 -0.96 0.00 0.00 56.93 56.19 1wfe s PHE 30 Cb 0.34 -1.60 -0.02 0.00 -0.34 0.00 0.00 43.02 41.41 1wfe s PHE 30 CO 0.03 0.53 1.79 0.21 -1.46 0.00 0.00 175.22 176.32 1wfe s LYS 31 N -2.72 2.70 0.00 10.12 2.20 -1.26 -2.94 119.74 127.84 1wfe s LYS 31 Ca 0.31 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 1wfe s LYS 31 Cb -0.11 -4.36 0.00 0.00 -1.51 0.00 0.00 37.83 31.84 1wfe s LYS 31 CO 0.23 -2.66 0.00 0.41 -0.36 0.00 0.00 175.35 172.98 1wfe n GLY 32 N 5.66 0.91 3.64 5.54 0.00 -1.26 -5.12 105.19 114.56 1wfe n GLY 32 Ca 0.18 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 4.48 0.00 -1.32 0.00 5.66 -1.26 -4.38 114.28 117.45 1wfe n THR 34 Ca -0.19 -0.39 -0.37 0.00 -3.05 0.00 0.00 64.05 60.05 1wfe n THR 34 Cb 0.58 1.02 0.04 0.00 -1.55 0.00 0.00 70.33 70.42 1wfe n THR 34 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1wfe n ASP 35 N -0.70 -1.88 -4.49 1.09 8.00 -1.26 -4.19 116.55 113.12 1wfe n ASP 35 Ca 0.00 0.63 -0.25 0.00 0.71 0.00 0.00 54.79 55.89 1wfe n ASP 35 Cb 0.01 -1.11 -0.10 0.00 -0.02 0.00 0.00 41.12 39.90 1wfe n ASP 35 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1wfe s VAL 36 N -1.86 1.37 0.06 2.53 -7.23 -1.26 -2.21 120.40 111.79 1wfe s VAL 36 Ca 0.64 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.71 1wfe s VAL 36 Cb -0.40 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 33.78 1wfe s VAL 36 CO 0.60 0.00 0.20 -1.61 -0.31 0.00 0.00 175.10 173.98 1wfe s GLU 37 N -3.82 0.75 0.24 4.82 0.41 -1.23 -4.90 118.70 114.97 1wfe s GLU 37 Ca 0.33 -0.72 -0.04 0.00 -0.41 0.00 0.00 54.97 54.13 1wfe s GLU 37 Cb 0.08 0.31 0.42 0.00 -1.78 0.00 0.00 34.13 33.16 1wfe s GLU 37 CO 0.15 -0.23 1.78 -0.07 -0.49 0.00 0.00 175.26 176.41 1wfe h LEU 38 N 3.22 0.54-10.59 1.80 3.38 -1.96 -3.15 115.31 108.55 1wfe h LEU 38 Ca -0.33 0.07 -0.49 0.00 0.09 0.00 0.00 57.88 57.22 1wfe h LEU 38 Cb 1.19 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.94 1wfe h LEU 38 CO 0.50 0.28 -0.14 0.68 0.09 0.00 0.00 178.44 179.86 1wfe s VAL 39 N -6.02 2.17 -0.23 1.22 -7.23 -1.26 -4.62 120.40 104.42 1wfe s VAL 39 Ca -0.12 -1.06 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 1wfe s VAL 39 Cb 0.20 -2.23 0.05 0.00 0.56 0.00 0.00 36.38 34.96 1wfe s VAL 39 CO 0.77 0.00 -0.12 0.00 -0.31 0.00 0.00 175.10 175.44 1wfe s ALA 40 N -2.65 2.38 -0.87 1.32 0.00 -1.26 -4.55 121.76 116.12 1wfe s ALA 40 Ca 0.58 -1.53 -0.19 0.00 0.00 0.00 0.00 51.96 50.82 1wfe s ALA 40 Cb -0.06 -1.44 0.13 0.00 0.00 0.00 0.00 23.12 21.75 1wfe s ALA 40 CO 0.37 -0.96 1.07 0.08 0.00 0.00 0.00 175.76 176.31 1wfe s VAL 41 N 1.21 4.72 0.22 0.00 1.01 -1.25 -4.97 120.40 121.34 1wfe s VAL 41 Ca -0.05 -1.42 -0.19 0.00 0.00 0.00 0.00 61.98 60.32 1wfe s VAL 41 Cb -0.18 -4.74 -0.08 0.00 0.00 0.00 0.00 36.38 31.38 1wfe s VAL 41 CO -0.07 -1.46 0.71 -0.63 0.00 0.00 0.00 175.10 173.64 1wfe s ILE 42 N 2.76 4.60 -0.21 2.22 -1.09 -1.26 -0.72 121.20 127.51 1wfe s ILE 42 Ca 0.30 1.23 -0.14 0.00 -2.23 0.00 0.00 60.65 59.81 1wfe s ILE 42 Cb -0.08 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1wfe s ILE 42 CO -0.06 0.20 0.29 0.00 -1.23 0.00 0.00 174.94 174.14 1wfe n PRO 44 N 4.21 0.49 -0.01 0.00 -0.04 -1.26 0.42 135.00 138.80 1wfe n PRO 44 Ca -0.11 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.32 1wfe n PRO 44 Cb 0.52 -1.22 -0.01 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.72 0.00 0.69 0.54 4.02 -1.26 -4.75 117.16 115.68 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 0.21 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 -1.94 -6.13 -4.26 0.00 1.02 0.17 -4.98 120.64 104.52 1wfe n GLU 47 Ca 0.04 0.74 -0.19 0.00 -0.02 0.00 0.00 57.16 57.73 1wfe n GLU 47 Cb 0.41 -5.45 -0.11 0.00 -0.02 0.00 0.00 31.44 26.27 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 -5.45 1.06 -0.09 3.49 1.02 -1.25 -4.46 119.74 114.06 1wfe s LYS 48 Ca 0.14 -1.25 -0.17 0.00 0.02 0.00 0.00 55.97 54.71 1wfe s LYS 48 Cb -0.06 -1.00 -0.05 0.00 -0.52 0.00 0.00 37.83 36.20 1wfe s LYS 48 CO 0.64 0.20 0.46 0.54 -0.92 0.00 0.00 175.35 176.27 1wfe s ASN 49 N -2.41 6.71 0.26 2.83 4.22 -1.26 -0.66 114.94 124.62 1wfe s ASN 49 Ca 0.09 0.84 0.01 0.00 -2.14 0.00 0.00 52.86 51.66 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 0.04 0.07 0.10 -0.36 -2.04 0.00 0.00 177.10 174.90 1wfe s PHE 50 N 0.29 1.53 0.23 1.54 0.40 0.11 -0.82 117.98 121.27 1wfe s PHE 50 Ca 0.25 -1.19 -0.17 0.00 -0.60 0.00 0.00 56.93 55.22 1wfe s PHE 50 Cb -0.15 -0.89 -0.08 0.00 0.51 0.00 0.00 43.02 42.40 1wfe s PHE 50 CO 0.11 -0.35 0.69 0.00 0.70 0.00 0.00 175.22 176.37 1wfe n LEU 52 N 0.45 0.15 -0.26 0.00 7.99 -1.26 0.25 117.00 124.33 1wfe n LEU 52 Ca -0.01 1.35 -0.05 0.00 -0.01 0.00 0.00 56.01 57.28 1wfe n LEU 52 Cb 0.52 -0.60 0.06 0.00 -0.11 0.00 0.00 43.42 43.28 1wfe n LEU 52 CO 0.43 -1.46 1.14 0.03 -1.51 0.00 0.00 177.39 176.02 1wfe h ARG 53 N 0.00 0.98 -0.86 3.23 2.47 -2.02 -2.85 114.38 115.32 1wfe h ARG 53 Ca 0.62 -0.09 -0.61 0.00 -1.26 0.00 0.00 59.98 58.64 1wfe h ARG 53 Cb 1.54 -0.21 -0.37 0.00 -1.65 0.00 0.00 29.97 29.28 1wfe h ARG 53 CO -0.67 0.69 -0.06 0.72 0.56 0.00 0.00 179.97 181.21 1wfe n HIS 54 N -4.53 2.96 0.07 3.04 8.25 0.71 -4.67 115.22 121.05 1wfe n HIS 54 Ca 0.06 -2.58 -0.21 0.00 -0.26 0.00 0.00 57.72 54.73 1wfe n HIS 54 Cb 0.05 -0.84 -0.13 0.00 1.12 0.00 0.00 29.99 30.20 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 2.10 0.49 -7.09 -0.41 0.11 -0.44 -3.39 114.38 105.75 1wfe h ARG 55 Ca 0.48 -0.68 -0.49 0.00 0.10 0.00 0.00 59.98 59.38 1wfe h ARG 55 Cb 1.22 0.23 0.21 0.00 1.11 0.00 0.00 29.97 32.74 1wfe h ARG 55 CO 1.13 1.29 -0.10 0.72 0.10 0.00 0.00 179.97 183.12 1wfe n HIS 56 N -3.97 -0.33 0.00 4.08 8.25 -1.26 -4.90 115.22 117.09 1wfe n HIS 56 Ca -0.13 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1wfe n HIS 56 Cb 0.89 -1.84 0.00 0.00 1.12 0.00 0.00 29.99 30.15 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 -3.82 0.00 -0.34 -0.41 6.02 -1.26 -3.06 117.38 114.51 1wfe n GLN 57 Ca 0.08 0.32 0.23 0.00 -0.01 0.00 0.00 57.00 57.61 1wfe n GLN 57 Cb 0.54 -1.17 0.46 0.00 1.02 0.00 0.00 30.24 31.09 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 0.55 -0.69 1.08 0.02 -1.93 0.17 113.55 112.74 1wfe h SER 58 Ca 0.00 0.17 0.15 0.00 -0.84 0.00 0.00 61.79 61.27 1wfe h SER 58 Cb 0.00 0.10 -0.12 0.00 0.14 0.00 0.00 62.40 62.53 1wfe h SER 58 CO 0.00 -0.07 -0.00 0.44 -1.14 0.00 0.00 176.83 176.06 1wfe h ASP 59 N 0.39 -0.33 -0.98 3.07 5.19 -1.91 0.23 116.42 122.07 1wfe h ASP 59 Ca 0.71 0.18 -0.57 0.00 -0.62 0.00 0.00 57.03 56.73 1wfe h ASP 59 Cb 1.58 0.31 -0.30 0.00 0.18 0.00 0.00 39.33 41.11 1wfe h ASP 59 CO -0.55 -0.15 0.73 0.00 -3.12 0.00 0.00 179.24 176.15 1wfe n HIS 60 N -5.32 3.09 -4.15 4.55 1.44 0.54 -4.91 115.22 110.47 1wfe n HIS 60 Ca 0.11 -2.27 -0.29 0.00 -2.01 0.00 0.00 57.72 53.27 1wfe n HIS 60 Cb 0.41 -1.13 -0.09 0.00 0.12 0.00 0.00 29.99 29.31 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 -1.03 0.72 -4.60 4.39 5.68 0.80 -4.63 116.55 117.87 1wfe n ASP 61 Ca 0.60 -1.15 -0.63 0.00 -0.50 0.00 0.00 54.79 53.11 1wfe n ASP 61 Cb 1.29 -1.43 -0.10 0.00 -1.14 0.00 0.00 41.12 39.74 1wfe n ASP 61 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wfe h GLU 63 N 6.88 0.90 -0.99 0.00 4.11 -1.92 -2.50 114.58 121.05 1wfe h GLU 63 Ca -0.35 -0.15 0.18 0.00 0.07 0.00 0.00 59.36 59.12 1wfe h GLU 63 Cb 1.37 -0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.37 1wfe h GLU 63 CO 1.01 0.74 0.61 0.87 0.07 0.00 0.00 179.01 182.31 1wfe h LYS 64 N 0.88 0.70 -5.94 1.06 1.79 -1.92 -3.39 116.57 109.76 1wfe h LYS 64 Ca 0.21 -0.04 -0.22 0.00 -2.18 0.00 0.00 60.65 58.41 1wfe h LYS 64 Cb 0.19 -0.16 0.12 0.00 -1.58 0.00 0.00 32.23 30.80 1wfe h LYS 64 CO -0.02 0.46 -0.44 1.28 -1.08 0.00 0.00 179.45 179.65 1wfe n LEU 65 N -4.69 -1.59 -1.96 2.94 4.77 -0.94 -4.67 117.00 110.86 1wfe n LEU 65 Ca 0.22 -0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 55.83 1wfe n LEU 65 Cb 0.57 -0.73 -0.10 0.00 -2.33 0.00 0.00 43.42 40.84 1wfe n LEU 65 CO 0.24 -3.03 1.25 -1.84 -1.33 0.00 0.00 177.39 172.68 1wfe n GLU 66 N -1.04 1.41 -3.81 3.23 0.28 -1.26 -4.86 120.64 114.59 1wfe n GLU 66 Ca 0.04 -0.59 -0.26 0.00 -0.16 0.00 0.00 57.16 56.19 1wfe n GLU 66 Cb 0.34 -1.69 -0.03 0.00 1.43 0.00 0.00 31.44 31.50 1wfe n GLU 66 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1wfe s VAL 67 N 1.10 5.26 -0.18 3.84 -7.23 -1.26 -5.11 120.40 116.82 1wfe s VAL 67 Ca 0.40 -0.55 -0.04 0.00 -1.81 0.00 0.00 61.98 59.98 1wfe s VAL 67 Cb 0.19 -3.75 0.09 0.00 0.56 0.00 0.00 36.38 33.46 1wfe s VAL 67 CO 0.00 -0.16 0.24 0.00 -0.31 0.00 0.00 175.10 174.86 1wfe s ALA 68 N -1.84 -0.40 -0.19 1.32 0.00 -1.26 -5.01 121.76 114.38 1wfe s ALA 68 Ca 0.36 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 1wfe s ALA 68 Cb -0.11 -1.24 0.08 0.00 0.00 0.00 0.00 23.12 21.86 1wfe s ALA 68 CO 0.29 -1.03 0.19 -1.59 0.00 0.00 0.00 175.76 173.62 1wfe s LYS 69 N 2.36 0.15 0.00 0.00 0.00 -1.26 -5.00 119.74 115.99 1wfe s LYS 69 Ca 0.06 0.14 0.00 0.00 0.00 0.00 0.00 55.97 56.17 1wfe s LYS 69 Cb -0.15 -1.34 0.00 0.00 0.00 0.00 0.00 37.83 36.35 1wfe s LYS 69 CO -0.11 -0.65 0.43 -0.35 0.00 0.00 0.00 175.35 174.67 1wfe n PRO 70 N 5.31 0.49 -1.44 1.78 -0.04 -1.26 -4.88 135.00 134.96 1wfe n PRO 70 Ca -0.06 0.00 -0.56 0.00 -0.04 0.00 0.00 63.50 62.84 1wfe n PRO 70 Cb 0.49 -1.06 -0.08 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.31 0.00 -3.59 0.54 1.74 -1.26 -4.93 116.66 108.85 1wfe n ARG 71 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1wfe n ARG 71 Cb 0.03 -1.28 0.01 0.00 -1.02 0.00 0.00 32.46 30.21 1wfe n ARG 71 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1wfe s MET 72 N 1.98 2.29 -1.47 5.56 -1.94 -1.26 -4.67 119.30 119.79 1wfe s MET 72 Ca 0.87 -1.87 -0.10 0.00 -1.71 0.00 0.00 55.69 52.87 1wfe s MET 72 Cb -1.23 -2.29 0.06 0.00 2.01 0.00 0.00 34.83 33.37 1wfe s MET 72 CO 0.65 -0.68 0.92 0.00 -0.01 0.00 0.00 175.02 175.90 1wfe n ALA 73 N -1.91 -1.48 -1.78 3.03 0.00 -1.26 -4.94 120.51 112.17 1wfe n ALA 73 Ca 0.04 0.11 -0.37 0.00 0.00 0.00 0.00 53.44 53.22 1wfe n ALA 73 Cb 0.63 -3.87 -0.06 0.00 0.00 0.00 0.00 19.45 16.16 1wfe n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wfe s ALA 74 N -3.40 3.20 1.02 0.00 0.00 -1.26 -5.02 121.76 116.30 1wfe s ALA 74 Ca 0.49 0.54 -0.17 0.00 0.00 0.00 0.00 51.96 52.82 1wfe s ALA 74 Cb -0.24 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1wfe s ALA 74 CO 0.82 0.13 -0.16 0.25 0.00 0.00 0.00 175.76 176.80 1wfe n THR 75 N 0.49 0.00 -2.30 0.00 -2.24 -1.26 -4.92 114.28 104.05 1wfe n THR 75 Ca 0.02 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 1wfe n THR 75 Cb 0.50 -0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 1wfe n THR 75 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1wfe s GLN 76 N -3.12 3.47 0.60 -0.78 -0.21 -1.26 -4.95 119.66 113.40 1wfe s GLN 76 Ca 0.51 1.44 -0.16 0.00 0.02 0.00 0.00 55.36 57.18 1wfe s GLN 76 Cb -0.13 -2.04 -0.14 0.00 1.00 0.00 0.00 33.01 31.70 1wfe s GLN 76 CO 0.69 -0.72 -0.31 1.17 -2.12 0.00 0.00 175.29 174.00 1wfe n LYS 77 N -1.36 0.00 -3.76 2.91 3.00 -1.26 -4.92 118.16 112.76 1wfe n LYS 77 Ca 0.10 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.06 1wfe n LYS 77 Cb 0.52 -0.90 -0.05 0.00 0.00 0.00 0.00 35.03 34.59 1wfe n LYS 77 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1wfe s LEU 78 N 5.38 4.39 -0.02 3.14 2.34 -1.26 -5.02 118.68 127.62 1wfe s LEU 78 Ca 0.46 0.58 -0.26 0.00 0.06 0.00 0.00 54.13 54.98 1wfe s LEU 78 Cb -0.36 -2.54 -0.20 0.00 -0.56 0.00 0.00 46.19 42.53 1wfe s LEU 78 CO 0.64 0.29 1.24 0.58 -1.06 0.00 0.00 176.35 178.04 1wfe h VAL 79 N 3.30 1.32 -0.67 1.48 2.07 -2.06 -3.41 116.25 118.28 1wfe h VAL 79 Ca -0.51 -1.13 -0.29 0.00 0.82 0.00 0.00 66.70 65.58 1wfe h VAL 79 Cb 1.21 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 33.02 1wfe h VAL 79 CO 0.64 0.29 1.16 0.54 0.02 0.00 0.00 177.57 180.22 1wfe n ARG 80 N -4.87 0.55 -4.18 1.57 3.00 -1.26 -4.86 116.66 106.61 1wfe n ARG 80 Ca -0.08 -0.30 -0.11 0.00 -0.01 0.00 0.00 57.85 57.35 1wfe n ARG 80 Cb 0.25 -2.85 -0.10 0.00 0.00 0.00 0.00 32.46 29.76 1wfe n ARG 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1wfe s SER 81 N 9.39 0.64 0.00 0.55 0.15 -1.26 -4.93 113.70 118.24 1wfe s SER 81 Ca 1.08 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1wfe s SER 81 Cb -0.43 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1wfe s SER 81 CO 0.28 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1wfe n GLY 82 N -0.13 0.35 2.70 9.45 0.00 -1.26 -5.15 105.19 111.15 1wfe n GLY 82 Ca -0.06 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.04 -2.66 -3.33 1.61 -0.04 -1.26 -4.92 135.00 124.37 1wfe n PRO 83 Ca 0.00 -1.35 -0.38 0.00 -0.04 0.00 0.00 63.50 61.73 1wfe n PRO 83 Cb 0.00 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1wfe n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfe s SER 84 N -3.78 6.75 0.69 3.54 0.15 -1.26 -4.94 113.70 114.85 1wfe s SER 84 Ca 0.55 0.89 -0.06 0.00 0.70 0.00 0.00 55.95 58.03 1wfe s SER 84 Cb -0.05 -2.29 0.06 0.00 -1.71 0.00 0.00 66.02 62.02 1wfe s SER 84 CO 0.42 0.07 0.99 -0.55 1.20 0.00 0.00 173.24 175.37 1wfe s SER 85 N 0.20 4.85 0.00 5.45 0.15 -1.26 -5.13 113.70 117.95 1wfe s SER 85 Ca 0.26 0.38 0.25 0.00 0.70 0.00 0.00 55.95 57.54 1wfe s SER 85 Cb -0.16 -1.05 1.47 0.00 -1.71 0.00 0.00 66.02 64.57 1wfe s SER 85 CO 0.12 -1.56 1.83 0.61 1.20 0.00 0.00 173.24 175.44