#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgr s SER 2 N 0.00 -1.54 -0.05 1.61 0.01 -1.26 -5.13 113.70 107.33 1wgr s SER 2 Ca 0.00 0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.37 1wgr s SER 2 Cb 0.00 1.99 0.04 0.00 0.21 0.00 0.00 66.02 68.26 1wgr s SER 2 CO 0.00 -0.30 0.09 -0.44 0.41 0.00 0.00 173.24 173.00 1wgr s SER 3 N 2.79 0.96 -0.47 2.44 0.01 -1.26 -5.06 113.70 113.11 1wgr s SER 3 Ca 0.10 0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.56 1wgr s SER 3 Cb -0.10 -0.01 0.21 0.00 0.21 0.00 0.00 66.02 66.34 1wgr s SER 3 CO -0.26 -0.24 0.86 0.61 0.41 0.00 0.00 173.24 174.62 1wgr n GLY 4 N 5.25 -0.65 0.00 3.44 0.00 -1.26 -5.13 105.19 106.84 1wgr n GLY 4 Ca -0.05 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1wgr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgr n SER 5 N 2.46 0.00 -3.53 1.61 2.88 -1.26 -5.16 113.62 110.63 1wgr n SER 5 Ca 0.14 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.59 1wgr n SER 5 Cb 0.60 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.97 1wgr n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgr s SER 6 N 0.00 -0.08 0.00 -3.46 0.01 -1.26 -5.06 113.70 103.85 1wgr s SER 6 Ca 0.00 0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.95 1wgr s SER 6 Cb 0.00 1.26 0.00 0.00 0.21 0.00 0.00 66.02 67.49 1wgr s SER 6 CO 0.00 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1wgr n GLY 7 N 5.38 -0.06 3.75 3.44 0.00 -1.26 -5.12 105.19 111.32 1wgr n GLY 7 Ca -0.06 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1wgr n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wgr s ARG 8 N 0.00 2.39 0.88 1.61 3.00 -1.26 -5.02 118.95 120.55 1wgr s ARG 8 Ca 0.00 1.46 -0.12 0.00 0.00 0.00 0.00 55.73 57.07 1wgr s ARG 8 Cb 0.00 -1.89 0.12 0.00 0.00 0.00 0.00 34.95 33.18 1wgr s ARG 8 CO 0.00 -1.59 1.13 -1.25 0.00 0.00 0.00 175.30 173.59 1wgr s PRO 9 N -4.23 1.36 -0.36 3.54 0.04 -1.26 -4.89 135.00 129.21 1wgr s PRO 9 Ca 0.68 0.37 -0.06 0.00 0.04 0.00 0.00 61.00 62.03 1wgr s PRO 9 Cb -0.22 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.52 1wgr s PRO 9 CO 0.46 -2.06 0.13 -1.01 0.04 0.00 0.00 177.00 174.56 1wgr s HIS 10 N -3.25 3.32 -0.84 0.56 3.76 0.47 -4.97 115.29 114.33 1wgr s HIS 10 Ca 0.63 -1.66 -0.22 0.00 -0.15 0.00 0.00 55.06 53.66 1wgr s HIS 10 Cb -0.15 -2.51 0.09 0.00 1.11 0.00 0.00 32.58 31.12 1wgr s HIS 10 CO 0.53 -0.80 1.15 0.08 -0.85 0.00 0.00 174.74 174.85 1wgr s VAL 11 N 1.34 4.35 -0.07 -0.90 1.01 -1.26 -2.07 120.40 122.80 1wgr s VAL 11 Ca -0.00 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 60.86 1wgr s VAL 11 Cb -0.21 -4.81 -0.02 0.00 0.00 0.00 0.00 36.38 31.34 1wgr s VAL 11 CO 0.01 -1.61 0.91 -0.69 0.00 0.00 0.00 175.10 173.72 1wgr s VAL 12 N 3.86 4.88 -0.51 2.92 1.01 -1.13 -4.90 120.40 126.54 1wgr s VAL 12 Ca 0.32 1.87 -0.14 0.00 0.00 0.00 0.00 61.98 64.03 1wgr s VAL 12 Cb -0.08 -4.23 0.12 0.00 0.00 0.00 0.00 36.38 32.18 1wgr s VAL 12 CO -0.01 0.11 0.44 -0.54 0.00 0.00 0.00 175.10 175.10 1wgr s LYS 13 N 1.42 2.85 -0.22 2.72 1.02 -1.26 -2.01 119.74 124.26 1wgr s LYS 13 Ca 0.46 -1.66 -0.12 0.00 0.02 0.00 0.00 55.97 54.67 1wgr s LYS 13 Cb -0.19 -4.16 -0.05 0.00 -0.52 0.00 0.00 37.83 32.91 1wgr s LYS 13 CO 0.21 -1.24 0.23 0.08 -0.92 0.00 0.00 175.35 173.71 1wgr s VAL 14 N 1.54 5.32 -0.01 3.17 1.01 -0.98 -4.11 120.40 126.34 1wgr s VAL 14 Ca 0.04 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 1wgr s VAL 14 Cb -0.28 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1wgr s VAL 14 CO 0.03 0.34 0.24 -0.31 0.00 0.00 0.00 175.10 175.39 1wgr s TYR 15 N 0.99 3.58 0.09 5.22 1.51 -0.40 -0.09 117.35 128.26 1wgr s TYR 15 Ca 0.11 0.54 0.04 0.00 -1.01 0.00 0.00 57.07 56.76 1wgr s TYR 15 Cb -0.13 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1wgr s TYR 15 CO 0.05 0.64 0.07 0.45 -1.11 0.00 0.00 175.55 175.64 1wgr s SER 16 N -1.63 5.39 0.24 2.29 0.15 -0.84 -1.99 113.70 117.30 1wgr s SER 16 Ca 0.26 -0.07 -0.15 0.00 0.70 0.00 0.00 55.95 56.69 1wgr s SER 16 Cb -0.13 -1.40 0.29 0.00 -1.71 0.00 0.00 66.02 63.07 1wgr s SER 16 CO 0.15 0.16 1.56 -0.33 1.20 0.00 0.00 173.24 175.98 1wgr h GLU 17 N 3.21 -0.02 -0.87 5.44 5.08 -1.89 1.11 114.58 126.64 1wgr h GLU 17 Ca -0.47 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.12 1wgr h GLU 17 Cb 1.17 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 1wgr h GLU 17 CO 0.64 -0.01 0.19 -0.44 -1.00 0.00 0.00 179.01 178.38 1wgr h ASP 18 N -0.02 -0.09 0.00 1.42 3.32 -1.95 -3.45 116.42 115.64 1wgr h ASP 18 Ca 0.37 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1wgr h ASP 18 Cb 0.62 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1wgr h ASP 18 CO -0.94 -0.18 0.00 0.61 -1.72 0.00 0.00 179.24 177.00 1wgr n GLY 19 N -1.39 2.49 3.67 2.75 0.00 0.38 -5.10 105.19 107.99 1wgr n GLY 19 Ca 0.21 -0.38 -0.48 0.00 0.00 0.00 0.00 46.02 45.37 1wgr n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgr n ALA 20 N 0.00 0.99 -2.70 4.61 0.00 -1.26 -4.43 120.51 117.72 1wgr n ALA 20 Ca 0.00 0.38 -0.36 0.00 0.00 0.00 0.00 53.44 53.46 1wgr n ALA 20 Cb 0.00 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 16.98 1wgr n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgr s ARG 22 N 0.73 2.75 0.36 0.00 0.52 0.88 -4.96 118.95 119.23 1wgr s ARG 22 Ca 0.13 -1.00 -0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1wgr s ARG 22 Cb -0.13 -2.76 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 1wgr s ARG 22 CO 0.03 -0.35 0.60 -1.54 0.02 0.00 0.00 175.30 174.06 1wgr s SER 23 N 1.25 6.32 -0.03 0.23 1.04 -1.26 -2.32 113.70 118.93 1wgr s SER 23 Ca -0.00 0.61 -0.02 0.00 0.48 0.00 0.00 55.95 57.02 1wgr s SER 23 Cb -0.16 -2.10 0.02 0.00 0.10 0.00 0.00 66.02 63.88 1wgr s SER 23 CO -0.09 -0.33 0.08 0.68 0.98 0.00 0.00 173.24 174.56 1wgr s VAL 24 N -2.35 -0.02 -0.60 5.02 -7.23 -0.85 -4.98 120.40 109.40 1wgr s VAL 24 Ca 0.42 0.07 -0.27 0.00 -1.81 0.00 0.00 61.98 60.39 1wgr s VAL 24 Cb -0.10 -0.12 0.03 0.00 0.56 0.00 0.00 36.38 36.75 1wgr s VAL 24 CO 0.36 0.03 1.15 -1.61 -0.31 0.00 0.00 175.10 174.72 1wgr s GLU 25 N 0.41 3.43 0.41 4.82 2.02 -1.26 -2.82 118.70 125.70 1wgr s GLU 25 Ca -0.03 0.06 0.03 0.00 0.02 0.00 0.00 54.97 55.06 1wgr s GLU 25 Cb -0.04 -4.05 -0.03 0.00 0.10 0.00 0.00 34.13 30.11 1wgr s GLU 25 CO -0.01 -1.71 0.10 0.14 0.02 0.00 0.00 175.26 173.80 1wgr s VAL 26 N 4.85 0.77 0.05 2.63 -7.23 -0.88 -4.97 120.40 115.62 1wgr s VAL 26 Ca 0.39 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.55 1wgr s VAL 26 Cb -0.09 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1wgr s VAL 26 CO 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 175.00 1wgr s ALA 27 N -3.18 0.44 -0.94 1.32 0.00 -1.26 0.18 121.76 118.32 1wgr s ALA 27 Ca 0.23 -1.14 -0.26 0.00 0.00 0.00 0.00 51.96 50.80 1wgr s ALA 27 Cb 0.03 0.28 -0.23 0.00 0.00 0.00 0.00 23.12 23.21 1wgr s ALA 27 CO 0.13 -0.37 2.55 0.00 0.00 0.00 0.00 175.76 178.07 1wgr n ALA 28 N 0.16 0.52 0.00 0.00 0.00 -1.26 -1.80 120.51 118.13 1wgr n ALA 28 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1wgr n ALA 28 Cb 0.61 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1wgr n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wgr n GLY 29 N 6.25 1.09 3.62 0.00 0.00 -1.26 -5.12 105.19 109.78 1wgr n GLY 29 Ca 0.63 0.02 -0.51 0.00 0.00 0.00 0.00 46.02 46.16 1wgr n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgr n ALA 30 N 0.00 -0.27 -2.54 4.61 0.00 -0.75 -4.96 120.51 116.61 1wgr n ALA 30 Ca 0.00 0.48 -0.20 0.00 0.00 0.00 0.00 53.44 53.73 1wgr n ALA 30 Cb 0.00 -2.17 0.10 0.00 0.00 0.00 0.00 19.45 17.38 1wgr n ALA 30 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wgr n THR 31 N 2.98 0.00 0.30 0.00 -2.24 -1.26 -4.08 114.28 109.97 1wgr n THR 31 Ca 0.19 -1.32 0.10 0.00 -2.27 0.00 0.00 64.05 60.75 1wgr n THR 31 Cb 0.21 -0.98 0.45 0.00 -2.10 0.00 0.00 70.33 67.91 1wgr n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wgr n ALA 32 N -2.94 1.40 0.01 6.98 0.00 0.26 -1.59 120.51 124.62 1wgr n ALA 32 Ca -0.14 0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1wgr n ALA 32 Cb 0.50 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 1wgr n ALA 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1wgr h ARG 33 N 0.00 0.17 -0.71 0.00 9.65 -1.77 -3.22 114.38 118.51 1wgr h ARG 33 Ca 0.00 -0.29 0.05 0.00 -1.10 0.00 0.00 59.98 58.64 1wgr h ARG 33 Cb 0.20 0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.84 1wgr h ARG 33 CO 0.00 0.94 0.47 0.45 2.80 0.00 0.00 179.97 184.62 1wgr h HIS 34 N 0.05 0.79 -0.13 2.20 3.86 -1.61 0.13 115.15 120.44 1wgr h HIS 34 Ca -0.34 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 58.82 1wgr h HIS 34 Cb 2.03 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 30.23 1wgr h HIS 34 CO 0.05 0.45 -0.16 0.28 0.86 0.00 0.00 177.93 179.41 1wgr h VAL 35 N 0.81 1.36 -0.53 2.45 2.07 -1.65 -0.83 116.25 119.93 1wgr h VAL 35 Ca 0.29 -1.35 0.07 0.00 0.82 0.00 0.00 66.70 66.54 1wgr h VAL 35 Cb 0.14 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1wgr h VAL 35 CO -0.09 0.39 0.20 0.00 0.02 0.00 0.00 177.57 178.09 1wgr h GLU 37 N 0.38 -1.06 0.22 0.00 4.39 -0.70 0.86 114.58 118.67 1wgr h GLU 37 Ca 0.26 0.07 0.01 0.00 0.34 0.00 0.00 59.36 60.03 1wgr h GLU 37 Cb 0.28 0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1wgr h GLU 37 CO -0.26 -0.71 -0.53 0.52 -1.16 0.00 0.00 179.01 176.88 1wgr h MET 38 N -1.10 -0.79 -0.13 2.33 2.86 -0.69 0.84 114.93 118.25 1wgr h MET 38 Ca -0.11 0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1wgr h MET 38 Cb 0.85 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.65 1wgr h MET 38 CO 0.17 -0.53 -0.33 -0.07 1.06 0.00 0.00 176.91 177.21 1wgr h LEU 39 N -0.82 -1.06 -0.71 1.22 3.38 -0.03 -2.17 115.31 115.11 1wgr h LEU 39 Ca -0.02 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1wgr h LEU 39 Cb 0.79 0.42 -0.09 0.00 0.09 0.00 0.00 40.66 41.88 1wgr h LEU 39 CO -0.23 -0.28 -0.44 0.58 0.09 0.00 0.00 178.44 178.16 1wgr h VAL 40 N -0.32 0.00 -1.20 1.22 2.07 -0.62 -3.45 116.25 113.95 1wgr h VAL 40 Ca 0.03 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.87 1wgr h VAL 40 Cb 0.39 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.98 1wgr h VAL 40 CO -0.29 0.00 0.92 0.00 0.02 0.00 0.00 177.57 178.22 1wgr s GLN 41 N -4.89 0.14 0.07 1.57 -2.07 0.27 -5.09 119.66 109.66 1wgr s GLN 41 Ca -0.09 -0.06 -0.01 0.00 -1.82 0.00 0.00 55.36 53.38 1wgr s GLN 41 Cb 0.08 0.06 -0.00 0.00 -1.09 0.00 0.00 33.01 32.06 1wgr s GLN 41 CO 0.47 -0.06 -0.02 -2.13 -1.32 0.00 0.00 175.29 172.22 1wgr n ARG 42 N -0.17 0.03 -2.07 9.60 0.00 -1.26 -4.00 116.66 118.80 1wgr n ARG 42 Ca -0.00 0.01 -0.41 0.00 -0.00 0.00 0.00 57.85 57.45 1wgr n ARG 42 Cb 0.59 -0.55 -0.02 0.00 0.00 0.00 0.00 32.46 32.48 1wgr n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wgr s ALA 43 N -2.04 3.52 0.00 5.13 0.00 -1.26 -4.06 121.76 123.04 1wgr s ALA 43 Ca -0.02 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1wgr s ALA 43 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1wgr s ALA 43 CO 0.02 -0.70 0.00 0.72 0.00 0.00 0.00 175.76 175.80 1wgr n HIS 44 N 0.90 0.00 -2.88 0.00 8.25 -1.26 -4.79 115.22 115.44 1wgr n HIS 44 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1wgr n HIS 44 Cb 0.41 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.51 1wgr n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wgr n ALA 45 N 0.51 -2.77 0.31 -1.41 0.00 -1.26 -4.93 120.51 110.96 1wgr n ALA 45 Ca 0.00 0.66 -0.13 0.00 0.00 0.00 0.00 53.44 53.98 1wgr n ALA 45 Cb 0.00 -1.51 -0.06 0.00 0.00 0.00 0.00 19.45 17.88 1wgr n ALA 45 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wgr h LEU 46 N 3.69 -0.70 0.00 0.00 3.38 -1.96 -3.49 115.31 116.24 1wgr h LEU 46 Ca -0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1wgr h LEU 46 Cb 0.53 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wgr h LEU 46 CO 0.04 -0.32 0.00 -1.20 0.09 0.00 0.00 178.44 177.05 1wgr n SER 47 N -5.25 0.00 -1.29 -0.43 7.64 -1.26 -5.16 113.62 107.87 1wgr n SER 47 Ca -0.10 0.00 0.17 0.00 1.01 0.00 0.00 58.87 59.95 1wgr n SER 47 Cb 0.33 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.48 1wgr n SER 47 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wgr n ASP 48 N 0.00 -7.57 -4.17 6.43 8.00 -1.26 -4.80 116.55 113.18 1wgr n ASP 48 Ca 0.00 0.61 -0.29 0.00 0.71 0.00 0.00 54.79 55.82 1wgr n ASP 48 Cb 0.00 -4.01 0.26 0.00 -0.02 0.00 0.00 41.12 37.34 1wgr n ASP 48 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wgr n GLU 49 N -3.85 -2.99 0.25 -1.24 1.02 -1.26 -4.94 120.64 107.64 1wgr n GLU 49 Ca -0.00 -0.86 -0.15 0.00 -0.02 0.00 0.00 57.16 56.13 1wgr n GLU 49 Cb 0.65 -2.02 -0.08 0.00 -0.02 0.00 0.00 31.44 29.97 1wgr n GLU 49 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1wgr h THR 50 N -2.86 0.48 -1.98 2.62 1.35 -1.98 -3.49 112.91 107.04 1wgr h THR 50 Ca -0.57 -0.34 0.11 0.00 -0.55 0.00 0.00 66.41 65.06 1wgr h THR 50 Cb 1.32 0.62 -0.03 0.00 -1.73 0.00 0.00 68.15 68.34 1wgr h THR 50 CO 0.42 0.05 -0.14 0.79 -0.25 0.00 0.00 175.52 176.40 1wgr n TRP 51 N -5.28 -2.33 -3.37 4.73 7.02 -1.26 -4.99 117.44 111.96 1wgr n TRP 51 Ca -0.11 0.49 0.00 0.00 -1.02 0.00 0.00 57.50 56.86 1wgr n TRP 51 Cb 0.30 -0.75 0.00 0.00 -2.42 0.00 0.00 31.31 28.44 1wgr n TRP 51 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wgr n GLY 52 N -1.22 -1.27 3.43 6.99 0.00 -1.25 -4.98 105.19 106.88 1wgr n GLY 52 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 1wgr n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wgr s LEU 53 N 0.00 2.46 -0.12 0.99 1.43 -1.26 -3.87 118.68 118.31 1wgr s LEU 53 Ca 0.00 -0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1wgr s LEU 53 Cb 0.00 -1.33 0.04 0.00 0.03 0.00 0.00 46.19 44.93 1wgr s LEU 53 CO 0.00 0.18 0.04 -0.69 0.23 0.00 0.00 176.35 176.11 1wgr s VAL 54 N -1.11 0.24 0.04 -1.59 1.01 0.17 -2.24 120.40 116.92 1wgr s VAL 54 Ca 0.16 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1wgr s VAL 54 Cb -0.10 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1wgr s VAL 54 CO 0.08 0.00 1.21 -1.83 0.00 0.00 0.00 175.10 174.56 1wgr s GLU 55 N 2.01 4.41 0.00 2.72 -1.05 0.16 0.17 118.70 127.12 1wgr s GLU 55 Ca 0.03 1.76 0.03 0.00 -0.15 0.00 0.00 54.97 56.64 1wgr s GLU 55 Cb -0.14 -3.39 -0.03 0.00 -0.44 0.00 0.00 34.13 30.12 1wgr s GLU 55 CO -0.06 -0.30 -0.07 0.00 0.95 0.00 0.00 175.26 175.77 1wgr s HIS 57 N -0.98 3.46 -0.67 0.00 3.76 -0.67 -1.40 115.29 118.80 1wgr s HIS 57 Ca 0.17 -2.67 -0.06 0.00 -0.15 0.00 0.00 55.06 52.34 1wgr s HIS 57 Cb -0.11 -3.16 -0.13 0.00 1.11 0.00 0.00 32.58 30.29 1wgr s HIS 57 CO 0.07 -0.88 2.64 -0.35 -0.85 0.00 0.00 174.74 175.37 1wgr n PRO 58 N 3.84 2.19 0.00 8.40 -0.04 -1.26 -1.01 135.00 147.12 1wgr n PRO 58 Ca 0.04 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1wgr n PRO 58 Cb 0.39 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 1wgr n PRO 58 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1wgr n HIS 59 N 3.34 -0.44 0.93 0.54 1.44 -1.26 -4.74 115.22 115.03 1wgr n HIS 59 Ca 0.47 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 56.28 1wgr n HIS 59 Cb 0.41 0.09 0.02 0.00 0.12 0.00 0.00 29.99 30.62 1wgr n HIS 59 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1wgr n LEU 60 N -1.48 2.16 -3.68 2.39 4.77 -1.08 -4.97 117.00 115.11 1wgr n LEU 60 Ca 0.00 -0.82 -0.23 0.00 -0.03 0.00 0.00 56.01 54.94 1wgr n LEU 60 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1wgr n LEU 60 CO 0.00 0.39 0.05 0.00 -1.33 0.00 0.00 177.39 176.50 1wgr n ALA 61 N 0.27 -1.77 -2.60 -1.18 0.00 -0.18 -4.99 120.51 110.06 1wgr n ALA 61 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.31 1wgr n ALA 61 Cb 0.47 -3.03 -0.08 0.00 0.00 0.00 0.00 19.45 16.81 1wgr n ALA 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wgr s LEU 62 N -6.82 3.12 -0.20 0.00 2.96 -1.21 -4.98 118.68 111.55 1wgr s LEU 62 Ca 0.22 -0.74 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 1wgr s LEU 62 Cb -0.10 -1.62 0.09 0.00 0.50 0.00 0.00 46.19 45.06 1wgr s LEU 62 CO 0.79 -0.06 0.21 -1.61 -1.32 0.00 0.00 176.35 174.36 1wgr s GLU 63 N -3.69 0.18 -0.05 1.98 8.01 -1.26 -1.66 118.70 122.22 1wgr s GLU 63 Ca 0.32 0.18 0.05 0.00 0.01 0.00 0.00 54.97 55.53 1wgr s GLU 63 Cb -0.05 -1.25 -0.02 0.00 -4.31 0.00 0.00 34.13 28.50 1wgr s GLU 63 CO 0.20 -0.66 -0.19 0.50 0.01 0.00 0.00 175.26 175.12 1wgr s ARG 64 N 2.31 2.47 -0.11 1.61 3.52 -0.39 -5.00 118.95 123.37 1wgr s ARG 64 Ca 0.07 -0.78 -0.04 0.00 -0.13 0.00 0.00 55.73 54.85 1wgr s ARG 64 Cb -0.16 -2.28 -0.04 0.00 -1.56 0.00 0.00 34.95 30.92 1wgr s ARG 64 CO -0.12 0.55 0.04 0.20 -0.81 0.00 0.00 175.30 175.15 1wgr s GLY 65 N -0.55 1.92 0.21 8.12 0.00 -1.26 0.37 107.32 116.13 1wgr s GLY 65 Ca 0.08 -0.76 0.10 0.00 0.00 0.00 0.00 44.72 44.13 1wgr s GLY 65 CO 0.01 -0.44 -0.10 0.48 0.00 0.00 0.00 173.10 173.04 1wgr s LEU 66 N -0.74 2.91 0.00 0.66 2.34 -0.95 -4.96 118.68 117.94 1wgr s LEU 66 Ca 0.12 -0.67 -0.03 0.00 0.06 0.00 0.00 54.13 53.61 1wgr s LEU 66 Cb -0.12 -1.55 0.04 0.00 -0.56 0.00 0.00 46.19 44.00 1wgr s LEU 66 CO 0.02 0.08 0.23 -0.62 -1.06 0.00 0.00 176.35 175.00 1wgr n GLU 67 N -0.19 -0.19 -0.03 1.48 1.02 -1.26 -4.15 120.64 117.31 1wgr n GLU 67 Ca -0.09 -0.36 -0.10 0.00 -0.02 0.00 0.00 57.16 56.58 1wgr n GLU 67 Cb 0.57 -0.23 -0.09 0.00 -0.02 0.00 0.00 31.44 31.67 1wgr n GLU 67 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1wgr h ASP 68 N -0.29 -0.04 -0.73 1.62 3.04 -1.93 -3.21 116.42 114.86 1wgr h ASP 68 Ca -0.07 -0.61 0.21 0.00 -3.24 0.00 0.00 57.03 53.31 1wgr h ASP 68 Cb 0.20 0.01 -0.03 0.00 -1.04 0.00 0.00 39.33 38.48 1wgr h ASP 68 CO 0.05 0.71 0.61 1.12 -2.04 0.00 0.00 179.24 179.70 1wgr h HIS 69 N -0.93 0.00 -3.24 4.15 2.07 -1.97 -2.96 115.15 112.28 1wgr h HIS 69 Ca -0.01 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.96 1wgr h HIS 69 Cb 0.66 0.00 0.09 0.00 2.57 0.00 0.00 27.41 30.73 1wgr h HIS 69 CO 0.17 0.00 0.72 0.39 -3.07 0.00 0.00 177.93 176.13 1wgr n GLU 70 N -4.01 2.41 -3.30 5.12 -0.58 -1.21 -4.76 120.64 114.31 1wgr n GLU 70 Ca 0.15 0.85 -0.41 0.00 -0.42 0.00 0.00 57.16 57.33 1wgr n GLU 70 Cb 0.88 -2.55 -0.08 0.00 -0.57 0.00 0.00 31.44 29.11 1wgr n GLU 70 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wgr s SER 71 N 0.18 6.28 0.29 1.62 0.01 -1.26 0.92 113.70 121.73 1wgr s SER 71 Ca 0.62 -0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.88 1wgr s SER 71 Cb -0.55 -2.24 0.66 0.00 0.21 0.00 0.00 66.02 64.10 1wgr s SER 71 CO 0.54 -0.40 1.78 -0.37 0.41 0.00 0.00 173.24 175.20 1wgr h VAL 72 N 5.56 0.74 0.68 3.43 -1.51 -1.80 0.84 116.25 124.18 1wgr h VAL 72 Ca -0.29 -0.26 -0.03 0.00 -1.23 0.00 0.00 66.70 64.89 1wgr h VAL 72 Cb 1.13 -0.08 0.01 0.00 -2.13 0.00 0.00 31.29 30.22 1wgr h VAL 72 CO 0.73 0.14 -0.32 0.58 -1.23 0.00 0.00 177.57 177.47 1wgr h VAL 73 N 0.75 0.00 -1.00 7.19 2.07 -1.92 1.56 116.25 124.89 1wgr h VAL 73 Ca 0.54 -0.28 0.21 0.00 0.82 0.00 0.00 66.70 67.99 1wgr h VAL 73 Cb 0.78 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.44 1wgr h VAL 73 CO -0.36 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 177.51 1wgr h GLU 74 N -1.18 0.64 0.01 1.57 5.08 -1.75 1.72 114.58 120.66 1wgr h GLU 74 Ca -0.09 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.03 1wgr h GLU 74 Cb 0.70 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1wgr h GLU 74 CO 0.15 0.42 -0.92 0.28 -1.00 0.00 0.00 179.01 177.95 1wgr h VAL 75 N 0.66 1.64 -0.03 3.13 2.07 0.79 -2.91 116.25 121.59 1wgr h VAL 75 Ca 0.59 -3.07 -0.18 0.00 0.82 0.00 0.00 66.70 64.86 1wgr h VAL 75 Cb 1.07 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 1wgr h VAL 75 CO -0.39 0.88 -0.76 -0.61 0.02 0.00 0.00 177.57 176.71 1wgr h GLN 76 N 0.01 0.24 0.00 1.57 4.15 0.79 -2.77 115.11 119.10 1wgr h GLN 76 Ca -0.02 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1wgr h GLN 76 Cb 1.61 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.35 1wgr h GLN 76 CO 0.12 0.89 0.00 0.00 -1.93 0.00 0.00 178.83 177.91 1wgr h ALA 77 N 1.04 1.00 -0.05 3.38 0.00 0.22 -2.88 119.26 121.97 1wgr h ALA 77 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1wgr h ALA 77 Cb 1.34 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.14 1wgr h ALA 77 CO 0.12 0.00 -0.96 0.00 0.00 0.00 0.00 179.25 178.41 1wgr h ALA 78 N 2.12 0.19 -1.69 0.00 0.00 -1.29 -3.45 119.26 115.14 1wgr h ALA 78 Ca 0.00 -0.67 -0.63 0.00 0.00 0.00 0.00 54.91 53.62 1wgr h ALA 78 Cb 0.62 0.04 0.11 0.00 0.00 0.00 0.00 17.79 18.55 1wgr h ALA 78 CO 0.00 0.69 -0.03 0.91 0.00 0.00 0.00 179.25 180.81 1wgr n TRP 79 N -3.88 0.81 -1.54 0.00 8.01 -1.09 -4.93 117.44 114.82 1wgr n TRP 79 Ca -0.10 0.78 -0.29 0.00 -1.31 0.00 0.00 57.50 56.58 1wgr n TRP 79 Cb 0.84 -2.17 0.13 0.00 -2.01 0.00 0.00 31.31 28.09 1wgr n TRP 79 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1wgr s PRO 80 N -1.30 1.36 0.01 -0.99 0.04 -1.26 -4.99 135.00 127.86 1wgr s PRO 80 Ca 0.61 0.37 -0.21 0.00 0.04 0.00 0.00 61.00 61.81 1wgr s PRO 80 Cb -0.78 -1.86 -0.19 0.00 0.04 0.00 0.00 34.50 31.72 1wgr s PRO 80 CO 0.58 -2.07 1.20 -0.24 0.04 0.00 0.00 177.00 176.52 1wgr h VAL 81 N -1.41 1.42 0.00 -0.36 3.04 -1.97 -3.32 116.25 113.66 1wgr h VAL 81 Ca -0.50 -1.69 -0.53 0.00 -1.01 0.00 0.00 66.70 62.97 1wgr h VAL 81 Cb 1.32 2.29 0.02 0.00 -2.01 0.00 0.00 31.29 32.91 1wgr h VAL 81 CO 0.61 0.49 3.19 0.61 -1.01 0.00 0.00 177.57 181.46 1wgr n GLY 82 N 0.65 3.74 0.00 3.17 0.00 -1.26 -4.51 105.19 106.98 1wgr n GLY 82 Ca -0.08 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1wgr n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgr n GLY 83 N 3.60 -0.20 2.57 -0.02 0.00 -1.25 -5.03 105.19 104.86 1wgr n GLY 83 Ca 0.64 0.77 -0.29 0.00 0.00 0.00 0.00 46.02 47.14 1wgr n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wgr n ASP 84 N 0.00 5.76 -4.64 1.61 9.92 -1.26 -4.67 116.55 123.27 1wgr n ASP 84 Ca 0.00 -2.44 -0.35 0.00 -0.53 0.00 0.00 54.79 51.47 1wgr n ASP 84 Cb 0.00 -1.25 0.10 0.00 -0.64 0.00 0.00 41.12 39.33 1wgr n ASP 84 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1wgr n SER 85 N 4.38 0.61 -3.82 -2.24 7.64 -1.26 -4.42 113.62 114.51 1wgr n SER 85 Ca 0.55 0.62 -0.10 0.00 1.01 0.00 0.00 58.87 60.96 1wgr n SER 85 Cb 0.19 -1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 61.91 1wgr n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgr s ARG 86 N -3.64 1.65 0.09 1.43 1.04 -0.49 -5.00 118.95 114.03 1wgr s ARG 86 Ca 0.73 -1.32 0.04 0.00 -1.04 0.00 0.00 55.73 54.14 1wgr s ARG 86 Cb -0.32 0.49 -0.04 0.00 -2.04 0.00 0.00 34.95 33.04 1wgr s ARG 86 CO 0.51 -0.70 0.04 -0.06 -0.04 0.00 0.00 175.30 175.05 1wgr s PHE 87 N -3.77 3.08 0.02 5.89 0.08 -1.26 0.10 117.98 122.12 1wgr s PHE 87 Ca 0.22 0.02 0.04 0.00 0.12 0.00 0.00 56.93 57.33 1wgr s PHE 87 Cb -0.01 -1.57 -0.02 0.00 -0.57 0.00 0.00 43.02 40.85 1wgr s PHE 87 CO 0.11 0.50 -0.13 0.08 -0.10 0.00 0.00 175.22 175.68 1wgr s VAL 88 N -1.36 0.99 -0.30 -0.44 1.01 0.45 -1.28 120.40 119.47 1wgr s VAL 88 Ca 0.27 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1wgr s VAL 88 Cb -0.12 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1wgr s VAL 88 CO 0.20 0.07 0.15 0.12 0.00 0.00 0.00 175.10 175.64 1wgr s PHE 89 N -0.66 3.17 -0.06 5.22 5.36 -0.84 0.42 117.98 130.58 1wgr s PHE 89 Ca 0.02 -0.51 -0.15 0.00 -0.96 0.00 0.00 56.93 55.34 1wgr s PHE 89 Cb -0.07 -2.34 0.03 0.00 -0.34 0.00 0.00 43.02 40.30 1wgr s PHE 89 CO 0.01 -0.42 0.34 -0.98 -1.46 0.00 0.00 175.22 172.70 1wgr s ARG 90 N 1.62 0.60 -0.02 10.12 1.70 -1.25 -4.34 118.95 127.38 1wgr s ARG 90 Ca 0.05 0.06 0.19 0.00 -0.47 0.00 0.00 55.73 55.56 1wgr s ARG 90 Cb -0.17 0.27 -0.26 0.00 -0.57 0.00 0.00 34.95 34.23 1wgr s ARG 90 CO 0.06 -0.14 0.55 0.36 -1.08 0.00 0.00 175.30 175.05 1wgr n LYS 91 N 1.81 0.73 -4.00 3.89 2.85 -1.26 -3.85 118.16 118.32 1wgr n LYS 91 Ca -0.19 -0.11 -0.31 0.00 -1.05 0.00 0.00 58.31 56.66 1wgr n LYS 91 Cb 0.57 -1.41 -0.15 0.00 -0.65 0.00 0.00 35.03 33.38 1wgr n LYS 91 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wgr s ASN 92 N -3.62 4.37 0.00 -5.58 4.22 -1.26 -4.87 114.94 108.20 1wgr s ASN 92 Ca -0.02 -1.59 0.00 0.00 -2.14 0.00 0.00 52.86 49.11 1wgr s ASN 92 Cb 0.13 -1.44 0.00 0.00 1.28 0.00 0.00 41.25 41.22 1wgr s ASN 92 CO 0.77 -0.27 0.00 0.33 -2.04 0.00 0.00 177.10 175.89 1wgr n PHE 93 N 4.46 0.00 -3.78 1.54 7.35 -1.26 -5.17 117.46 120.59 1wgr n PHE 93 Ca -0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 1wgr n PHE 93 Cb 0.42 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.26 1wgr n PHE 93 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wgr n ALA 94 N 0.00 -0.20 -3.89 3.13 0.00 -1.26 -4.98 120.51 113.31 1wgr n ALA 94 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1wgr n ALA 94 Cb 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 19.45 19.31 1wgr n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wgr s SER 95 N -1.16 3.80 0.00 0.00 0.15 -1.26 -5.03 113.70 110.21 1wgr s SER 95 Ca 0.02 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1wgr s SER 95 Cb -0.00 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 1wgr s SER 95 CO 0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1wgr n GLY 96 N 4.72 2.08 3.80 9.45 0.00 -1.26 -5.06 105.19 118.92 1wgr n GLY 96 Ca -0.09 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 1wgr n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgr s PRO 97 N -5.14 3.66 0.28 1.61 0.04 -1.26 -4.95 135.00 129.23 1wgr s PRO 97 Ca 0.00 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1wgr s PRO 97 Cb 0.00 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1wgr s PRO 97 CO 0.00 -0.54 0.00 -1.13 0.04 0.00 0.00 177.00 175.37 1wgr n SER 98 N -1.34 -0.69 -2.42 6.66 3.41 -1.26 -5.14 113.62 112.84 1wgr n SER 98 Ca 0.09 0.48 -0.01 0.00 -0.26 0.00 0.00 58.87 59.17 1wgr n SER 98 Cb 0.53 0.83 -0.01 0.00 -0.26 0.00 0.00 64.21 65.30 1wgr n SER 98 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wgr n SER 99 N -3.34 -6.14 0.00 4.04 7.64 -1.26 -5.34 113.62 109.22 1wgr n SER 99 Ca 0.00 1.62 0.00 0.00 1.01 0.00 0.00 58.87 61.50 1wgr n SER 99 Cb 0.00 -4.67 0.00 0.00 -1.01 0.00 0.00 64.21 58.53 1wgr n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64