#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgr n SER 2 N 0.00 -2.32 -2.74 1.61 3.41 -1.26 -5.12 113.62 107.20 1wgr n SER 2 Ca 0.00 0.62 -0.04 0.00 -0.26 0.00 0.00 58.87 59.19 1wgr n SER 2 Cb 0.00 2.34 -0.04 0.00 -0.26 0.00 0.00 64.21 66.25 1wgr n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wgr n SER 3 N -3.10 -2.40 -1.47 4.04 2.88 -1.26 -4.71 113.62 107.60 1wgr n SER 3 Ca 0.00 1.24 0.18 0.00 -1.33 0.00 0.00 58.87 58.96 1wgr n SER 3 Cb 0.00 -4.21 -0.09 0.00 -0.75 0.00 0.00 64.21 59.16 1wgr n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgr n GLY 4 N 1.96 -3.20 3.61 0.46 0.00 -1.26 -4.56 105.19 102.20 1wgr n GLY 4 Ca -0.31 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 1wgr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgr s SER 5 N -7.32 5.71 0.00 1.61 0.15 -1.26 -4.88 113.70 107.72 1wgr s SER 5 Ca 0.00 1.75 -0.12 0.00 0.70 0.00 0.00 55.95 58.29 1wgr s SER 5 Cb 0.00 -2.52 -0.06 0.00 -1.71 0.00 0.00 66.02 61.73 1wgr s SER 5 CO 0.00 -1.78 0.87 0.28 1.20 0.00 0.00 173.24 173.81 1wgr h SER 6 N 13.82 -0.36 0.00 5.45 0.02 -1.84 -3.50 113.55 127.14 1wgr h SER 6 Ca -0.39 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1wgr h SER 6 Cb 1.21 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1wgr h SER 6 CO 0.98 -0.19 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 1wgr n GLY 7 N -0.32 0.57 3.30 -3.77 0.00 -1.26 -5.05 105.19 98.66 1wgr n GLY 7 Ca -0.05 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 1wgr n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wgr s ARG 8 N -0.67 2.71 0.98 1.61 6.06 -1.26 -5.13 118.95 123.25 1wgr s ARG 8 Ca 0.00 -0.86 -0.14 0.00 -2.50 0.00 0.00 55.73 52.23 1wgr s ARG 8 Cb 0.00 -2.26 0.18 0.00 0.06 0.00 0.00 34.95 32.93 1wgr s ARG 8 CO 0.00 0.36 1.17 -1.25 -2.50 0.00 0.00 175.30 173.08 1wgr s PRO 9 N -0.10 0.57 -0.40 5.12 0.04 -1.26 -5.00 135.00 133.97 1wgr s PRO 9 Ca -0.05 0.07 -0.11 0.00 0.04 0.00 0.00 61.00 60.95 1wgr s PRO 9 Cb -0.14 -1.79 0.05 0.00 0.04 0.00 0.00 34.50 32.65 1wgr s PRO 9 CO 0.04 -2.54 0.24 -1.01 0.04 0.00 0.00 177.00 173.77 1wgr s HIS 10 N -3.36 3.27 -0.71 0.56 3.76 0.36 -4.97 115.29 114.21 1wgr s HIS 10 Ca 0.67 -1.13 -0.21 0.00 -0.15 0.00 0.00 55.06 54.24 1wgr s HIS 10 Cb -0.11 -2.66 0.09 0.00 1.11 0.00 0.00 32.58 31.01 1wgr s HIS 10 CO 0.54 -0.73 0.95 0.08 -0.85 0.00 0.00 174.74 174.73 1wgr s VAL 11 N 1.52 4.51 -0.16 -0.90 1.01 -1.26 -1.96 120.40 123.16 1wgr s VAL 11 Ca 0.02 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.02 1wgr s VAL 11 Cb -0.21 -4.67 -0.02 0.00 0.00 0.00 0.00 36.38 31.48 1wgr s VAL 11 CO 0.05 -1.41 0.73 -0.69 0.00 0.00 0.00 175.10 173.79 1wgr s VAL 12 N 3.49 4.97 -0.35 2.92 1.01 -1.11 -4.91 120.40 126.42 1wgr s VAL 12 Ca 0.22 1.43 -0.21 0.00 0.00 0.00 0.00 61.98 63.42 1wgr s VAL 12 Cb -0.16 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1wgr s VAL 12 CO 0.05 0.10 0.65 -0.54 0.00 0.00 0.00 175.10 175.36 1wgr s LYS 13 N 1.79 3.69 -0.36 2.72 1.02 -1.26 -1.74 119.74 125.61 1wgr s LYS 13 Ca 0.34 0.08 -0.03 0.00 0.02 0.00 0.00 55.97 56.39 1wgr s LYS 13 Cb -0.16 -3.81 0.07 0.00 -0.52 0.00 0.00 37.83 33.41 1wgr s LYS 13 CO 0.13 -0.74 0.11 0.08 -0.92 0.00 0.00 175.35 174.01 1wgr s VAL 14 N 2.73 3.27 0.53 3.17 1.01 0.17 -3.13 120.40 128.16 1wgr s VAL 14 Ca 0.25 -1.63 -0.08 0.00 0.00 0.00 0.00 61.98 60.52 1wgr s VAL 14 Cb -0.14 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1wgr s VAL 14 CO 0.15 -0.38 0.88 -0.31 0.00 0.00 0.00 175.10 175.44 1wgr s TYR 15 N 1.23 3.58 0.17 5.22 1.51 0.57 -0.97 117.35 128.67 1wgr s TYR 15 Ca 0.01 1.02 0.10 0.00 -1.01 0.00 0.00 57.07 57.19 1wgr s TYR 15 Cb -0.21 -2.48 -0.04 0.00 -0.11 0.00 0.00 41.96 39.12 1wgr s TYR 15 CO -0.02 -0.42 -0.16 0.45 -1.11 0.00 0.00 175.55 174.29 1wgr s SER 16 N -4.05 3.91 0.28 2.29 0.15 -0.66 -1.09 113.70 114.53 1wgr s SER 16 Ca 0.51 -0.67 -0.05 0.00 0.70 0.00 0.00 55.95 56.43 1wgr s SER 16 Cb -0.11 -0.53 0.54 0.00 -1.71 0.00 0.00 66.02 64.21 1wgr s SER 16 CO 0.47 0.12 1.57 -0.33 1.20 0.00 0.00 173.24 176.27 1wgr h GLU 17 N 3.16 0.00 -0.72 5.44 5.08 -1.85 1.38 114.58 127.08 1wgr h GLU 17 Ca -0.47 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.04 1wgr h GLU 17 Cb 1.20 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 1wgr h GLU 17 CO 0.51 0.00 0.19 0.22 -1.00 0.00 0.00 179.01 178.93 1wgr h ASP 18 N 0.00 0.06 0.00 1.42 3.58 -1.94 -3.34 116.42 116.20 1wgr h ASP 18 Ca 0.51 0.13 0.00 0.00 0.42 0.00 0.00 57.03 58.09 1wgr h ASP 18 Cb 0.87 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1wgr h ASP 18 CO -0.97 -0.01 0.00 0.61 -2.88 0.00 0.00 179.24 175.99 1wgr n GLY 19 N -1.34 2.67 3.51 -0.78 0.00 0.47 -4.89 105.19 104.84 1wgr n GLY 19 Ca 0.13 -0.41 -0.53 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.43 -2.71 4.61 0.00 -1.26 -4.36 120.51 114.36 1wgr n ALA 20 Ca 0.00 0.52 -0.37 0.00 0.00 0.00 0.00 53.44 53.59 1wgr n ALA 20 Cb 0.00 -1.84 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 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 0.39 0.71 0.20 0.00 0.52 -0.14 -4.97 118.95 115.66 1wgr s ARG 22 Ca 0.21 -0.34 0.05 0.00 -0.52 0.00 0.00 55.73 55.13 1wgr s ARG 22 Cb -0.14 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 1wgr s ARG 22 CO 0.07 -0.57 0.19 -1.54 0.02 0.00 0.00 175.30 173.47 1wgr s SER 23 N 1.86 5.65 0.03 0.23 1.04 -1.26 0.44 113.70 121.69 1wgr s SER 23 Ca 0.00 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.34 1wgr s SER 23 Cb -0.16 -1.50 -0.02 0.00 0.10 0.00 0.00 66.02 64.44 1wgr s SER 23 CO -0.07 0.02 -0.10 0.68 0.98 0.00 0.00 173.24 174.75 1wgr s VAL 24 N -1.89 0.76 -0.37 5.02 -7.23 -0.71 -4.93 120.40 111.05 1wgr s VAL 24 Ca 0.32 -0.82 -0.26 0.00 -1.81 0.00 0.00 61.98 59.41 1wgr s VAL 24 Cb -0.09 -0.72 0.02 0.00 0.56 0.00 0.00 36.38 36.14 1wgr s VAL 24 CO 0.25 -0.08 0.96 -1.61 -0.31 0.00 0.00 175.10 174.31 1wgr s GLU 25 N -0.99 3.87 0.20 4.82 2.02 -1.26 -2.77 118.70 124.59 1wgr s GLU 25 Ca -0.02 0.65 -0.00 0.00 0.02 0.00 0.00 54.97 55.62 1wgr s GLU 25 Cb -0.07 -3.80 -0.04 0.00 0.10 0.00 0.00 34.13 30.32 1wgr s GLU 25 CO 0.01 -0.96 0.11 0.14 0.02 0.00 0.00 175.26 174.57 1wgr s VAL 26 N 3.55 0.16 0.11 2.63 -7.23 -0.83 -5.00 120.40 113.80 1wgr s VAL 26 Ca 0.40 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1wgr s VAL 26 Cb -0.12 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1wgr s VAL 26 CO 0.19 -0.07 -0.07 0.00 -0.31 0.00 0.00 175.10 174.84 1wgr s ALA 27 N -4.04 1.12 -0.92 1.32 0.00 -1.26 0.14 121.76 118.11 1wgr s ALA 27 Ca 0.37 -1.39 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 1wgr s ALA 27 Cb 0.07 0.14 -0.23 0.00 0.00 0.00 0.00 23.12 23.10 1wgr s ALA 27 CO 0.11 -0.20 2.52 0.00 0.00 0.00 0.00 175.76 178.19 1wgr n ALA 28 N -0.09 0.56 0.00 0.00 0.00 -1.26 -1.63 120.51 118.09 1wgr n ALA 28 Ca -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1wgr n ALA 28 Cb 0.61 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 6.21 1.33 3.52 0.00 0.00 -1.26 -5.13 105.19 109.86 1wgr n GLY 29 Ca 0.62 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.77 -2.62 4.61 0.00 -0.65 -4.98 120.51 116.11 1wgr n ALA 30 Ca 0.00 0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 1wgr n ALA 30 Cb 0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 1wgr n ALA 30 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wgr s THR 31 N -1.47 1.30 -0.49 0.00 -4.23 -1.26 -4.13 115.64 105.36 1wgr s THR 31 Ca 0.66 -1.79 0.17 0.00 -1.18 0.00 0.00 61.69 59.55 1wgr s THR 31 Cb -0.54 -2.08 0.17 0.00 1.34 0.00 0.00 72.50 71.39 1wgr s THR 31 CO 0.56 0.00 1.52 0.00 -0.54 0.00 0.00 174.62 176.16 1wgr n ALA 32 N -1.50 1.23 0.06 3.99 0.00 0.49 -1.45 120.51 123.33 1wgr n ALA 32 Ca -0.13 0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1wgr n ALA 32 Cb 0.66 -1.26 -0.15 0.00 0.00 0.00 0.00 19.45 18.70 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 0.35 0.49 0.00 9.65 -0.79 -3.22 114.38 120.85 1wgr h ARG 33 Ca 0.00 -0.60 -0.01 0.00 -1.10 0.00 0.00 59.98 58.27 1wgr h ARG 33 Cb 0.10 0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 1wgr h ARG 33 CO 0.00 1.29 -0.50 0.45 2.80 0.00 0.00 179.97 184.01 1wgr h HIS 34 N -0.16 -1.38 -0.49 2.20 3.86 -1.52 0.10 115.15 117.76 1wgr h HIS 34 Ca -0.26 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.02 1wgr h HIS 34 Cb 1.87 0.54 -0.08 0.00 1.06 0.00 0.00 27.41 30.80 1wgr h HIS 34 CO 0.14 -0.66 -0.49 0.28 0.86 0.00 0.00 177.93 178.06 1wgr h VAL 35 N -0.99 0.00 -0.51 2.45 2.07 -1.69 1.43 116.25 119.01 1wgr h VAL 35 Ca -0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1wgr h VAL 35 Cb 0.86 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1wgr h VAL 35 CO -0.07 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.09 1wgr h GLU 37 N -0.16 0.74 -0.17 0.00 4.39 0.56 1.52 114.58 121.47 1wgr h GLU 37 Ca 0.08 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.63 1wgr h GLU 37 Cb 0.38 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1wgr h GLU 37 CO -0.57 0.49 -0.39 0.52 -1.16 0.00 0.00 179.01 177.91 1wgr h MET 38 N 0.77 0.37 0.00 2.33 2.86 0.83 -2.05 114.93 120.03 1wgr h MET 38 Ca 0.56 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1wgr h MET 38 Cb 0.87 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 1wgr h MET 38 CO -0.35 0.70 -0.00 -0.07 1.06 0.00 0.00 176.91 178.25 1wgr h LEU 39 N 0.31 0.00 -0.99 1.22 3.38 0.69 -3.36 115.31 116.56 1wgr h LEU 39 Ca 0.03 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.14 1wgr h LEU 39 Cb 0.82 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.41 1wgr h LEU 39 CO 0.07 0.51 -0.39 -0.37 0.09 0.00 0.00 178.44 178.34 1wgr h VAL 40 N -1.00 0.00 0.00 1.22 -1.51 0.18 -3.45 116.25 111.70 1wgr h VAL 40 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1wgr h VAL 40 Cb 0.01 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.17 1wgr h VAL 40 CO -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1wgr n GLN 41 N -5.47 0.00 0.02 5.19 6.02 -0.83 -5.08 117.38 117.23 1wgr n GLN 41 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1wgr n GLN 41 Cb 0.40 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 1wgr n GLN 41 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1wgr n ARG 42 N 0.00 0.00 -2.72 -1.09 0.00 -0.86 -4.62 116.66 107.38 1wgr n ARG 42 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 1wgr n ARG 42 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.53 1wgr n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wgr n ALA 43 N -2.65 -1.84 -3.17 5.13 0.00 -1.26 -3.99 120.51 112.73 1wgr n ALA 43 Ca 0.00 -1.11 0.05 0.00 0.00 0.00 0.00 53.44 52.38 1wgr n ALA 43 Cb 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 1wgr n ALA 43 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wgr s HIS 44 N 0.42 -0.33 -0.03 0.00 2.46 -1.26 -5.17 115.29 111.37 1wgr s HIS 44 Ca 0.27 0.39 -0.10 0.00 0.47 0.00 0.00 55.06 56.09 1wgr s HIS 44 Cb 0.25 0.13 0.02 0.00 -0.13 0.00 0.00 32.58 32.84 1wgr s HIS 44 CO -0.16 -0.18 0.23 0.00 -2.47 0.00 0.00 174.74 172.16 1wgr s ALA 45 N 2.84 -0.58 0.08 1.58 0.00 -1.26 -4.89 121.76 119.52 1wgr s ALA 45 Ca -0.04 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.24 1wgr s ALA 45 Cb -0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1wgr s ALA 45 CO -0.10 -0.20 0.12 -1.17 0.00 0.00 0.00 175.76 174.40 1wgr s LEU 46 N -0.87 3.95 -0.79 0.00 2.96 -1.26 -4.99 118.68 117.68 1wgr s LEU 46 Ca -0.10 0.06 -0.23 0.00 -0.22 0.00 0.00 54.13 53.64 1wgr s LEU 46 Cb -0.05 -2.61 -0.17 0.00 0.50 0.00 0.00 46.19 43.86 1wgr s LEU 46 CO 0.02 0.17 1.90 -0.24 -1.32 0.00 0.00 176.35 176.87 1wgr n SER 47 N 0.38 2.46 0.00 3.68 2.88 -1.26 -3.82 113.62 117.94 1wgr n SER 47 Ca -0.08 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.80 1wgr n SER 47 Cb 0.52 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1wgr n SER 47 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wgr n ASP 48 N 9.38 1.26 -3.91 -3.46 8.00 -1.26 -5.05 116.55 121.50 1wgr n ASP 48 Ca 0.48 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.73 1wgr n ASP 48 Cb 0.42 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.35 1wgr n ASP 48 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1wgr s GLU 49 N -1.81 1.38 0.28 -1.24 -1.05 -1.25 -5.13 118.70 109.88 1wgr s GLU 49 Ca 0.00 -0.23 -0.21 0.00 -0.15 0.00 0.00 54.97 54.38 1wgr s GLU 49 Cb 0.00 -1.40 -0.09 0.00 -0.44 0.00 0.00 34.13 32.20 1wgr s GLU 49 CO 0.00 -0.19 0.82 0.95 0.95 0.00 0.00 175.26 177.79 1wgr s THR 50 N 1.43 4.45 0.20 1.83 -4.23 -1.26 -4.97 115.64 113.08 1wgr s THR 50 Ca -0.01 1.44 -0.07 0.00 -1.18 0.00 0.00 61.69 61.87 1wgr s THR 50 Cb -0.13 -3.86 -0.02 0.00 1.34 0.00 0.00 72.50 69.83 1wgr s THR 50 CO -0.04 0.10 0.27 0.26 -0.54 0.00 0.00 174.62 174.67 1wgr s TRP 51 N -1.66 0.67 0.00 3.99 0.52 -1.26 -3.91 118.94 117.29 1wgr s TRP 51 Ca 0.48 -0.99 0.00 0.00 0.02 0.00 0.00 56.10 55.61 1wgr s TRP 51 Cb -0.16 -0.19 0.00 0.00 -1.15 0.00 0.00 33.47 31.97 1wgr s TRP 51 CO 0.21 -0.75 0.00 0.41 0.02 0.00 0.00 176.95 176.84 1wgr n GLY 52 N -0.27 1.67 3.17 0.98 0.00 -1.25 -4.95 105.19 104.54 1wgr n GLY 52 Ca -0.03 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 2.27 -0.12 0.99 1.43 -1.26 -4.31 118.68 117.68 1wgr s LEU 53 Ca 0.00 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1wgr s LEU 53 Cb 0.00 -0.52 0.04 0.00 0.03 0.00 0.00 46.19 45.74 1wgr s LEU 53 CO 0.00 -0.07 0.05 -0.69 0.23 0.00 0.00 176.35 175.87 1wgr s VAL 54 N -1.26 0.16 0.16 -1.59 1.01 0.14 -2.51 120.40 116.50 1wgr s VAL 54 Ca -0.02 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1wgr s VAL 54 Cb -0.10 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.65 1wgr s VAL 54 CO 0.02 -0.02 1.16 -1.83 0.00 0.00 0.00 175.10 174.44 1wgr s GLU 55 N 2.04 4.52 0.01 2.72 -1.05 0.18 0.17 118.70 127.29 1wgr s GLU 55 Ca 0.03 1.80 0.06 0.00 -0.15 0.00 0.00 54.97 56.71 1wgr s GLU 55 Cb -0.14 -3.27 -0.03 0.00 -0.44 0.00 0.00 34.13 30.25 1wgr s GLU 55 CO -0.06 -0.06 -0.16 0.00 0.95 0.00 0.00 175.26 175.92 1wgr s HIS 57 N -0.86 3.44 -0.61 0.00 3.76 -0.79 -1.29 115.29 118.93 1wgr s HIS 57 Ca 0.14 -2.72 -0.06 0.00 -0.15 0.00 0.00 55.06 52.27 1wgr s HIS 57 Cb -0.11 -3.15 -0.13 0.00 1.11 0.00 0.00 32.58 30.31 1wgr s HIS 57 CO 0.04 -0.86 2.65 -0.35 -0.85 0.00 0.00 174.74 175.36 1wgr n PRO 58 N 3.73 2.13 0.00 8.40 -0.04 -1.26 -0.97 135.00 146.99 1wgr n PRO 58 Ca 0.05 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1wgr n PRO 58 Cb 0.38 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 3.29 -0.46 0.92 0.54 1.44 -1.26 -4.69 115.22 115.01 1wgr n HIS 59 Ca 0.46 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.27 1wgr n HIS 59 Cb 0.43 0.09 0.02 0.00 0.12 0.00 0.00 29.99 30.65 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 -1.51 2.17 -3.65 2.39 4.77 -1.08 -4.98 117.00 115.11 1wgr n LEU 60 Ca 0.00 -0.83 -0.21 0.00 -0.03 0.00 0.00 56.01 54.94 1wgr n LEU 60 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1wgr n LEU 60 CO 0.00 0.39 -0.04 0.00 -1.33 0.00 0.00 177.39 176.41 1wgr n ALA 61 N 0.30 -2.05 -2.54 -1.18 0.00 -0.15 -4.99 120.51 109.90 1wgr n ALA 61 Ca 0.10 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 1wgr n ALA 61 Cb 0.46 -2.21 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 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 -6.58 2.84 -0.20 0.00 2.96 -1.21 -4.98 118.68 111.50 1wgr s LEU 62 Ca 0.03 -0.91 -0.04 0.00 -0.22 0.00 0.00 54.13 52.99 1wgr s LEU 62 Cb -0.01 -1.32 0.08 0.00 0.50 0.00 0.00 46.19 45.44 1wgr s LEU 62 CO 0.80 -0.02 0.17 -1.61 -1.32 0.00 0.00 176.35 174.37 1wgr s GLU 63 N -3.59 0.15 0.01 1.98 8.01 -1.26 -1.88 118.70 122.11 1wgr s GLU 63 Ca 0.31 0.07 0.07 0.00 0.01 0.00 0.00 54.97 55.43 1wgr s GLU 63 Cb -0.04 -1.41 -0.03 0.00 -4.31 0.00 0.00 34.13 28.34 1wgr s GLU 63 CO 0.17 -0.68 -0.22 0.50 0.01 0.00 0.00 175.26 175.04 1wgr s ARG 64 N 2.25 2.08 -0.12 1.61 3.52 -0.56 -5.00 118.95 122.73 1wgr s ARG 64 Ca 0.05 -0.96 -0.02 0.00 -0.13 0.00 0.00 55.73 54.68 1wgr s ARG 64 Cb -0.16 -2.12 -0.03 0.00 -1.56 0.00 0.00 34.95 31.09 1wgr s ARG 64 CO -0.12 0.55 -0.06 0.20 -0.81 0.00 0.00 175.30 175.06 1wgr s GLY 65 N -1.03 1.69 0.18 8.12 0.00 -1.26 0.48 107.32 115.50 1wgr s GLY 65 Ca 0.12 -0.85 0.07 0.00 0.00 0.00 0.00 44.72 44.06 1wgr s GLY 65 CO 0.02 -0.32 0.01 0.48 0.00 0.00 0.00 173.10 173.29 1wgr s LEU 66 N -0.11 3.32 0.00 0.66 2.34 -1.05 -4.97 118.68 118.88 1wgr s LEU 66 Ca 0.01 -0.41 -0.05 0.00 0.06 0.00 0.00 54.13 53.74 1wgr s LEU 66 Cb -0.13 -1.96 0.08 0.00 -0.56 0.00 0.00 46.19 43.62 1wgr s LEU 66 CO 0.03 0.08 0.21 -0.62 -1.06 0.00 0.00 176.35 174.99 1wgr n GLU 67 N -0.22 -2.32 -0.10 1.48 1.02 -1.26 -4.17 120.64 115.07 1wgr n GLU 67 Ca -0.09 -0.35 -0.18 0.00 -0.02 0.00 0.00 57.16 56.51 1wgr n GLU 67 Cb 0.56 -0.41 -0.10 0.00 -0.02 0.00 0.00 31.44 31.46 1wgr n GLU 67 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wgr h ASP 68 N -2.09 0.00 -0.06 1.62 5.19 -1.92 -3.34 116.42 115.82 1wgr h ASP 68 Ca -0.09 -0.49 0.02 0.00 -0.62 0.00 0.00 57.03 55.85 1wgr h ASP 68 Cb 0.30 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.80 1wgr h ASP 68 CO 0.06 1.33 0.14 1.12 -3.12 0.00 0.00 179.24 178.76 1wgr h HIS 69 N -1.00 0.00 -2.65 4.55 2.07 -1.94 0.29 115.15 116.47 1wgr h HIS 69 Ca -0.26 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.66 1wgr h HIS 69 Cb 1.14 0.00 0.09 0.00 2.57 0.00 0.00 27.41 31.22 1wgr h HIS 69 CO 0.08 0.00 0.44 0.39 -3.07 0.00 0.00 177.93 175.77 1wgr n GLU 70 N -3.38 1.78 -2.85 5.12 -0.58 -1.25 -4.55 120.64 114.93 1wgr n GLU 70 Ca -0.01 0.63 -0.43 0.00 -0.42 0.00 0.00 57.16 56.93 1wgr n GLU 70 Cb 0.22 -2.19 -0.04 0.00 -0.57 0.00 0.00 31.44 28.86 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 -0.04 6.39 0.32 1.62 0.01 -1.26 0.18 113.70 120.92 1wgr s SER 71 Ca 0.64 -0.20 0.11 0.00 1.31 0.00 0.00 55.95 57.81 1wgr s SER 71 Cb -0.67 -2.43 0.96 0.00 0.21 0.00 0.00 66.02 64.08 1wgr s SER 71 CO 0.55 -1.13 1.68 -0.37 0.41 0.00 0.00 173.24 174.38 1wgr h VAL 72 N 6.03 0.39 0.67 3.43 -1.51 -1.83 0.61 116.25 124.04 1wgr h VAL 72 Ca -0.25 -0.14 -0.03 0.00 -1.23 0.00 0.00 66.70 65.05 1wgr h VAL 72 Cb 1.08 -0.05 0.01 0.00 -2.13 0.00 0.00 31.29 30.20 1wgr h VAL 72 CO 1.05 0.07 -0.32 0.58 -1.23 0.00 0.00 177.57 177.72 1wgr h VAL 73 N 0.40 0.00 -1.03 7.19 2.07 -1.90 1.54 116.25 124.51 1wgr h VAL 73 Ca 0.67 -0.21 0.27 0.00 0.82 0.00 0.00 66.70 68.25 1wgr h VAL 73 Cb 1.42 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.08 1wgr h VAL 73 CO -0.56 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 177.33 1wgr h GLU 74 N -1.12 0.45 0.06 1.57 5.08 -1.43 1.62 114.58 120.81 1wgr h GLU 74 Ca -0.09 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.00 1wgr h GLU 74 Cb 0.69 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1wgr h GLU 74 CO 0.15 0.30 -1.08 0.28 -1.00 0.00 0.00 179.01 177.67 1wgr h VAL 75 N 0.47 1.54 0.00 3.13 2.07 0.29 -2.70 116.25 121.04 1wgr h VAL 75 Ca 0.64 -2.98 -0.12 0.00 0.82 0.00 0.00 66.70 65.06 1wgr h VAL 75 Cb 1.44 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.95 1wgr h VAL 75 CO -0.42 0.87 -0.57 -0.61 0.02 0.00 0.00 177.57 176.86 1wgr h GLN 76 N 0.08 0.00 0.00 1.57 4.15 0.90 -2.69 115.11 119.12 1wgr h GLN 76 Ca -0.08 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.19 1wgr h GLN 76 Cb 1.78 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.45 1wgr h GLN 76 CO 0.17 0.57 -0.72 0.00 -1.93 0.00 0.00 178.83 176.92 1wgr h ALA 77 N 1.43 0.72 -0.72 3.38 0.00 0.19 -3.11 119.26 121.16 1wgr h ALA 77 Ca -0.01 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 1wgr h ALA 77 Cb 1.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1wgr h ALA 77 CO 0.07 0.90 0.22 0.00 0.00 0.00 0.00 179.25 180.44 1wgr h ALA 78 N 1.28 0.94 -1.90 0.00 0.00 -1.15 -3.44 119.26 115.00 1wgr h ALA 78 Ca -0.01 -0.23 -0.61 0.00 0.00 0.00 0.00 54.91 54.07 1wgr h ALA 78 Cb 1.35 -0.28 0.16 0.00 0.00 0.00 0.00 17.79 19.02 1wgr h ALA 78 CO 0.09 0.63 -0.76 0.91 0.00 0.00 0.00 179.25 180.12 1wgr n TRP 79 N -4.28 -1.60 -1.56 0.00 8.01 -1.12 -4.90 117.44 111.98 1wgr n TRP 79 Ca 0.06 0.58 -0.30 0.00 -1.31 0.00 0.00 57.50 56.52 1wgr n TRP 79 Cb 0.23 -1.84 0.08 0.00 -2.01 0.00 0.00 31.31 27.76 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 -1.27 2.37 -1.18 -0.99 0.04 -1.26 -4.96 135.00 127.74 1wgr s PRO 80 Ca 0.61 0.74 -0.06 0.00 0.04 0.00 0.00 61.00 62.33 1wgr s PRO 80 Cb -0.59 -1.94 0.23 0.00 0.04 0.00 0.00 34.50 32.24 1wgr s PRO 80 CO 0.61 -1.44 1.72 0.28 0.04 0.00 0.00 177.00 178.21 1wgr n VAL 81 N -3.33 4.90 0.00 -0.36 0.31 -1.26 -4.06 118.33 114.52 1wgr n VAL 81 Ca 0.07 -5.14 0.00 0.00 -0.01 0.00 0.00 64.34 59.26 1wgr n VAL 81 Cb 0.55 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 1wgr n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wgr n GLY 82 N 1.98 -0.18 3.74 2.92 0.00 -1.26 -5.12 105.19 107.28 1wgr n GLY 82 Ca 0.35 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 1wgr n GLY 82 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wgr s GLY 83 N -1.54 2.45 -1.05 -0.02 0.00 -1.26 -4.95 107.32 100.94 1wgr s GLY 83 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 44.72 44.50 1wgr s GLY 83 CO 0.00 0.69 2.65 1.22 0.00 0.00 0.00 173.10 177.67 1wgr n ASP 84 N 3.24 6.48 -4.52 1.64 9.92 -1.26 -4.81 116.55 127.24 1wgr n ASP 84 Ca -0.08 -2.42 -0.36 0.00 -0.53 0.00 0.00 54.79 51.40 1wgr n ASP 84 Cb 0.52 -1.31 0.07 0.00 -0.64 0.00 0.00 41.12 39.76 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 3.63 -0.60 -3.91 -2.24 7.64 -1.26 -4.45 113.62 112.43 1wgr n SER 85 Ca 0.58 0.63 -0.09 0.00 1.01 0.00 0.00 58.87 61.00 1wgr n SER 85 Cb 0.29 -1.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.16 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 -2.89 1.47 0.03 1.43 1.04 -0.41 -4.99 118.95 114.63 1wgr s ARG 86 Ca 0.68 -1.11 0.01 0.00 -1.04 0.00 0.00 55.73 54.28 1wgr s ARG 86 Cb -0.36 0.49 -0.04 0.00 -2.04 0.00 0.00 34.95 33.00 1wgr s ARG 86 CO 0.55 -0.62 0.08 -0.06 -0.04 0.00 0.00 175.30 175.22 1wgr s PHE 87 N -3.96 3.26 0.02 5.89 0.08 -1.18 0.14 117.98 122.22 1wgr s PHE 87 Ca 0.17 0.16 0.05 0.00 0.12 0.00 0.00 56.93 57.43 1wgr s PHE 87 Cb -0.01 -1.70 -0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1wgr s PHE 87 CO 0.04 0.54 -0.15 0.08 -0.10 0.00 0.00 175.22 175.63 1wgr s VAL 88 N -1.27 1.18 -0.29 -0.44 1.01 0.46 -0.32 120.40 120.73 1wgr s VAL 88 Ca 0.25 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1wgr s VAL 88 Cb -0.12 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1wgr s VAL 88 CO 0.17 0.14 0.14 0.12 0.00 0.00 0.00 175.10 175.67 1wgr s PHE 89 N -0.65 3.16 0.03 5.22 5.36 -0.25 0.23 117.98 131.08 1wgr s PHE 89 Ca 0.04 -0.41 -0.13 0.00 -0.96 0.00 0.00 56.93 55.47 1wgr s PHE 89 Cb -0.07 -2.33 0.02 0.00 -0.34 0.00 0.00 43.02 40.30 1wgr s PHE 89 CO 0.01 -0.38 0.29 -0.98 -1.46 0.00 0.00 175.22 172.70 1wgr s ARG 90 N 1.64 0.76 0.14 10.12 1.70 -1.26 -4.40 118.95 127.65 1wgr s ARG 90 Ca 0.06 -0.45 0.06 0.00 -0.47 0.00 0.00 55.73 54.92 1wgr s ARG 90 Cb -0.16 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 1wgr s ARG 90 CO 0.06 -0.23 0.02 -1.59 -1.08 0.00 0.00 175.30 172.48 1wgr s LYS 91 N -2.28 2.52 -1.52 3.89 -2.85 -1.26 -3.89 119.74 114.36 1wgr s LYS 91 Ca -0.07 -0.96 -0.00 0.00 -1.00 0.00 0.00 55.97 53.94 1wgr s LYS 91 Cb -0.02 -2.47 0.00 0.00 -2.06 0.00 0.00 37.83 33.28 1wgr s LYS 91 CO -0.02 0.49 0.10 -1.71 0.10 0.00 0.00 175.35 174.32 1wgr n ASN 92 N 0.14 0.65 -4.72 0.03 5.15 -1.25 -4.83 115.26 110.43 1wgr n ASN 92 Ca -0.10 -1.22 -0.42 0.00 -0.60 0.00 0.00 54.58 52.25 1wgr n ASN 92 Cb 0.54 -1.94 -0.03 0.00 -0.53 0.00 0.00 39.78 37.82 1wgr n ASN 92 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1wgr s PHE 93 N -4.28 3.45 -0.34 1.20 -0.12 -1.26 -4.95 117.98 111.68 1wgr s PHE 93 Ca 0.00 1.34 -0.08 0.00 -0.05 0.00 0.00 56.93 58.15 1wgr s PHE 93 Cb -0.00 -3.40 0.20 0.00 -0.63 0.00 0.00 43.02 39.19 1wgr s PHE 93 CO 0.97 -1.20 1.08 0.00 -0.05 0.00 0.00 175.22 176.02 1wgr s ALA 94 N 0.85 -4.45 -0.38 1.99 0.00 -1.26 -5.04 121.76 113.46 1wgr s ALA 94 Ca 0.57 0.85 -0.21 0.00 0.00 0.00 0.00 51.96 53.17 1wgr s ALA 94 Cb -0.30 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 19.86 1wgr s ALA 94 CO 0.30 -2.51 0.50 0.45 0.00 0.00 0.00 175.76 174.50 1wgr n SER 95 N 3.02 -6.96 -4.77 0.00 2.88 -1.26 -4.91 113.62 101.62 1wgr n SER 95 Ca 0.09 0.38 -0.37 0.00 -1.33 0.00 0.00 58.87 57.65 1wgr n SER 95 Cb 0.64 -3.69 -0.01 0.00 -0.75 0.00 0.00 64.21 60.40 1wgr n SER 95 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgr s GLY 96 N -1.94 2.75 -0.07 0.46 0.00 -1.26 -4.99 107.32 102.28 1wgr s GLY 96 Ca 0.25 0.89 -0.14 0.00 0.00 0.00 0.00 44.72 45.72 1wgr s GLY 96 CO 0.74 1.32 0.53 -0.56 0.00 0.00 0.00 173.10 175.13 1wgr h PRO 97 N 1.95 -0.25 -6.40 2.90 0.13 -2.03 -3.46 132.00 124.84 1wgr h PRO 97 Ca -0.49 0.02 -0.44 0.00 -0.87 0.00 0.00 66.00 64.21 1wgr h PRO 97 Cb 1.25 0.06 0.01 0.00 0.13 0.00 0.00 31.00 32.44 1wgr h PRO 97 CO 0.60 0.00 -0.29 0.45 -0.23 0.00 0.00 178.00 178.53 1wgr s SER 98 N -5.34 5.95 -0.17 1.44 0.15 -1.26 -5.12 113.70 109.35 1wgr s SER 98 Ca -0.08 -0.09 -0.10 0.00 0.70 0.00 0.00 55.95 56.38 1wgr s SER 98 Cb 0.00 -1.30 0.05 0.00 -1.71 0.00 0.00 66.02 63.06 1wgr s SER 98 CO 0.27 -0.48 0.41 -0.55 1.20 0.00 0.00 173.24 174.09 1wgr s SER 99 N -4.18 -0.50 0.00 5.45 0.15 -1.26 -5.19 113.70 108.17 1wgr s SER 99 Ca 0.45 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1wgr s SER 99 Cb -0.10 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1wgr s SER 99 CO 0.32 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.19