#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 -7.21 -1.81 1.61 2.88 -1.26 -5.00 113.62 102.83 1wgr n SER 2 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1wgr n SER 2 Cb 0.00 -4.49 0.00 0.00 -0.75 0.00 0.00 64.21 58.97 1wgr n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgr n SER 3 N -4.25 -8.45 0.00 -3.46 7.64 -1.26 -5.01 113.62 98.83 1wgr n SER 3 Ca -0.06 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1wgr n SER 3 Cb 0.63 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.26 1wgr n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgr n GLY 4 N 1.17 1.28 3.15 0.23 0.00 -1.26 -5.03 105.19 104.73 1wgr n GLY 4 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.14 -1.20 0.06 1.61 0.15 -1.26 -5.16 113.70 106.75 1wgr s SER 5 Ca 0.00 0.72 0.01 0.00 0.70 0.00 0.00 55.95 57.38 1wgr s SER 5 Cb 0.00 2.00 -0.03 0.00 -1.71 0.00 0.00 66.02 66.27 1wgr s SER 5 CO 0.00 -0.22 -0.06 -0.55 1.20 0.00 0.00 173.24 173.60 1wgr s SER 6 N 2.88 0.82 0.00 5.45 0.15 -1.26 -5.08 113.70 116.66 1wgr s SER 6 Ca 0.16 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1wgr s SER 6 Cb -0.14 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1wgr s SER 6 CO -0.19 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1wgr n GLY 7 N 0.78 -0.68 3.87 9.45 0.00 -1.26 -5.15 105.19 112.20 1wgr n GLY 7 Ca -0.18 0.62 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 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 3.86 0.88 1.61 3.00 -1.26 -5.07 118.95 121.97 1wgr s ARG 8 Ca 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 55.73 56.13 1wgr s ARG 8 Cb 0.00 -2.43 0.12 0.00 0.00 0.00 0.00 34.95 32.64 1wgr s ARG 8 CO 0.00 0.06 1.13 -1.25 0.00 0.00 0.00 175.30 175.24 1wgr s PRO 9 N -3.44 1.40 -0.41 3.54 0.04 -1.26 -5.01 135.00 129.86 1wgr s PRO 9 Ca 0.52 0.39 -0.12 0.00 0.04 0.00 0.00 61.00 61.83 1wgr s PRO 9 Cb -0.10 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.63 1wgr s PRO 9 CO 0.25 -2.04 0.27 -1.01 0.04 0.00 0.00 177.00 174.52 1wgr s HIS 10 N -3.24 3.28 -0.91 0.56 3.76 0.54 -4.99 115.29 114.28 1wgr s HIS 10 Ca 0.63 -1.14 -0.21 0.00 -0.15 0.00 0.00 55.06 54.18 1wgr s HIS 10 Cb -0.15 -2.79 0.09 0.00 1.11 0.00 0.00 32.58 30.84 1wgr s HIS 10 CO 0.54 -0.75 1.24 0.08 -0.85 0.00 0.00 174.74 174.99 1wgr s VAL 11 N 1.53 4.30 0.17 -0.90 1.01 -1.26 -2.13 120.40 123.11 1wgr s VAL 11 Ca 0.03 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 1wgr s VAL 11 Cb -0.22 -4.88 -0.08 0.00 0.00 0.00 0.00 36.38 31.20 1wgr s VAL 11 CO 0.05 -1.69 1.28 -0.69 0.00 0.00 0.00 175.10 174.05 1wgr s VAL 12 N 3.95 3.40 -0.50 2.92 1.01 -0.80 -4.86 120.40 125.53 1wgr s VAL 12 Ca 0.36 1.12 -0.08 0.00 0.00 0.00 0.00 61.98 63.38 1wgr s VAL 12 Cb -0.05 -3.71 0.13 0.00 0.00 0.00 0.00 36.38 32.75 1wgr s VAL 12 CO -0.05 0.15 0.36 -0.54 0.00 0.00 0.00 175.10 175.02 1wgr s LYS 13 N 0.16 2.50 -0.31 2.72 1.02 -1.26 -1.77 119.74 122.79 1wgr s LYS 13 Ca 0.57 -1.88 -0.14 0.00 0.02 0.00 0.00 55.97 54.54 1wgr s LYS 13 Cb -0.35 -3.90 -0.03 0.00 -0.52 0.00 0.00 37.83 33.03 1wgr s LYS 13 CO 0.36 -1.19 0.33 0.08 -0.92 0.00 0.00 175.35 174.01 1wgr s VAL 14 N 1.15 5.20 0.10 3.17 1.01 0.09 -3.44 120.40 127.68 1wgr s VAL 14 Ca 0.08 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 1wgr s VAL 14 Cb -0.25 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1wgr s VAL 14 CO -0.02 0.05 0.41 -0.31 0.00 0.00 0.00 175.10 175.23 1wgr s TYR 15 N 1.98 3.55 0.03 5.22 1.51 0.12 -0.50 117.35 129.25 1wgr s TYR 15 Ca 0.12 0.75 0.03 0.00 -1.01 0.00 0.00 57.07 56.95 1wgr s TYR 15 Cb -0.16 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 1wgr s TYR 15 CO 0.11 0.48 -0.01 -1.54 -1.11 0.00 0.00 175.55 173.49 1wgr s SER 16 N -1.94 5.05 0.25 2.29 1.04 -1.12 -1.30 113.70 117.96 1wgr s SER 16 Ca 0.36 -0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.59 1wgr s SER 16 Cb -0.13 -1.27 0.33 0.00 0.10 0.00 0.00 66.02 65.04 1wgr s SER 16 CO 0.20 0.25 1.57 -0.33 0.98 0.00 0.00 173.24 175.90 1wgr h GLU 17 N 4.09 -0.02 -0.81 4.02 5.08 -1.91 1.08 114.58 126.12 1wgr h GLU 17 Ca -0.48 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.07 1wgr h GLU 17 Cb 1.17 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 1wgr h GLU 17 CO 0.58 -0.01 0.20 0.22 -1.00 0.00 0.00 179.01 178.99 1wgr h ASP 18 N -0.02 -0.01 0.00 1.42 1.82 -1.95 -3.45 116.42 114.23 1wgr h ASP 18 Ca 0.39 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 57.20 1wgr h ASP 18 Cb 0.64 0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1wgr h ASP 18 CO -0.93 -0.09 0.00 0.61 -1.61 0.00 0.00 179.24 177.21 1wgr n GLY 19 N -1.37 1.24 3.52 -0.78 0.00 0.37 -5.08 105.19 103.09 1wgr n GLY 19 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 0.86 -2.65 4.61 0.00 -1.26 -4.49 120.51 117.59 1wgr n ALA 20 Ca 0.00 -0.50 -0.41 0.00 0.00 0.00 0.00 53.44 52.52 1wgr n ALA 20 Cb 0.00 -2.81 -0.04 0.00 0.00 0.00 0.00 19.45 16.59 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 2.53 2.70 0.04 0.00 1.81 0.34 -4.98 118.95 121.39 1wgr s ARG 22 Ca 0.35 -1.23 0.04 0.00 -1.72 0.00 0.00 55.73 53.16 1wgr s ARG 22 Cb -0.16 -2.43 -0.02 0.00 -0.45 0.00 0.00 34.95 31.90 1wgr s ARG 22 CO 0.09 0.29 -0.12 -1.54 -0.68 0.00 0.00 175.30 173.34 1wgr s SER 23 N -3.85 1.39 -0.00 0.23 1.04 -1.26 -0.73 113.70 110.51 1wgr s SER 23 Ca 0.35 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.33 1wgr s SER 23 Cb -0.06 -0.06 -0.00 0.00 0.10 0.00 0.00 66.02 65.99 1wgr s SER 23 CO 0.24 -0.03 -0.03 0.68 0.98 0.00 0.00 173.24 175.08 1wgr s VAL 24 N -0.94 0.27 -0.32 5.02 -7.23 -0.73 -5.00 120.40 111.47 1wgr s VAL 24 Ca -0.01 -0.15 -0.23 0.00 -1.81 0.00 0.00 61.98 59.78 1wgr s VAL 24 Cb -0.08 -0.24 0.00 0.00 0.56 0.00 0.00 36.38 36.63 1wgr s VAL 24 CO 0.01 0.08 0.75 -1.61 -0.31 0.00 0.00 175.10 174.01 1wgr s GLU 25 N -0.08 3.87 0.07 4.82 2.02 -1.26 -1.90 118.70 126.24 1wgr s GLU 25 Ca 0.01 0.42 -0.01 0.00 0.02 0.00 0.00 54.97 55.41 1wgr s GLU 25 Cb -0.01 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.42 1wgr s GLU 25 CO -0.00 -0.71 -0.01 0.14 0.02 0.00 0.00 175.26 174.70 1wgr s VAL 26 N 2.91 0.20 0.15 2.63 -7.23 -0.91 -5.01 120.40 113.14 1wgr s VAL 26 Ca 0.30 -1.84 0.10 0.00 -1.81 0.00 0.00 61.98 58.73 1wgr s VAL 26 Cb -0.14 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1wgr s VAL 26 CO 0.14 -0.88 -0.22 0.00 -0.31 0.00 0.00 175.10 173.82 1wgr s ALA 27 N -3.94 2.18 -0.99 1.32 0.00 -1.26 -0.34 121.76 118.74 1wgr s ALA 27 Ca 0.11 -1.46 -0.27 0.00 0.00 0.00 0.00 51.96 50.34 1wgr s ALA 27 Cb 0.08 -0.28 -0.24 0.00 0.00 0.00 0.00 23.12 22.68 1wgr s ALA 27 CO -0.07 0.39 2.58 0.00 0.00 0.00 0.00 175.76 178.66 1wgr n ALA 28 N 0.63 0.47 0.00 0.00 0.00 -1.26 -1.80 120.51 118.54 1wgr n ALA 28 Ca -0.16 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1wgr n ALA 28 Cb 0.55 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 6.30 1.45 3.52 0.00 0.00 -1.26 -5.14 105.19 110.06 1wgr n GLY 29 Ca 0.66 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.81 -4.38 4.61 0.00 -0.75 -4.89 120.51 114.29 1wgr n ALA 30 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 1wgr n ALA 30 Cb 0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 19.45 17.47 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 -2.02 0.00 0.34 0.00 -2.24 -1.26 -3.53 114.28 105.57 1wgr n THR 31 Ca 0.12 -1.44 0.06 0.00 -2.27 0.00 0.00 64.05 60.51 1wgr n THR 31 Cb 0.48 0.23 0.25 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.05 1.46 0.05 6.98 0.00 0.03 -1.69 120.51 125.30 1wgr n ALA 32 Ca -0.13 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 1wgr n ALA 32 Cb 0.39 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 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 0.29 0.54 0.00 9.65 -1.50 -3.12 114.38 120.23 1wgr h ARG 33 Ca 0.00 -0.49 -0.03 0.00 -1.10 0.00 0.00 59.98 58.37 1wgr h ARG 33 Cb 0.18 0.18 0.01 0.00 -1.39 0.00 0.00 29.97 28.95 1wgr h ARG 33 CO 0.00 1.16 -0.26 0.45 2.80 0.00 0.00 179.97 184.12 1wgr h HIS 34 N 0.08 -0.67 0.16 2.20 3.86 -1.61 -0.61 115.15 118.57 1wgr h HIS 34 Ca -0.31 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.90 1wgr h HIS 34 Cb 2.05 0.22 -0.04 0.00 1.06 0.00 0.00 27.41 30.70 1wgr h HIS 34 CO 0.07 -0.36 -0.51 0.28 0.86 0.00 0.00 177.93 178.28 1wgr h VAL 35 N -0.86 0.00 -0.85 2.45 2.07 -1.69 1.04 116.25 118.43 1wgr h VAL 35 Ca -0.07 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.63 1wgr h VAL 35 Cb 0.60 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.22 1wgr h VAL 35 CO 0.12 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.56 1wgr h GLU 37 N 0.02 0.82 0.00 0.00 4.39 0.39 1.60 114.58 121.80 1wgr h GLU 37 Ca 0.43 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 1wgr h GLU 37 Cb 0.70 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1wgr h GLU 37 CO -0.84 0.73 -0.35 0.52 -1.16 0.00 0.00 179.01 177.91 1wgr h MET 38 N 0.80 0.00 0.00 2.33 2.86 1.05 -2.99 114.93 118.98 1wgr h MET 38 Ca 0.18 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1wgr h MET 38 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1wgr h MET 38 CO -0.00 0.35 -0.79 -0.07 1.06 0.00 0.00 176.91 177.46 1wgr h LEU 39 N 0.00 0.00 -0.90 1.22 3.38 0.32 -3.36 115.31 115.97 1wgr h LEU 39 Ca -0.00 -0.19 0.15 0.00 0.09 0.00 0.00 57.88 57.93 1wgr h LEU 39 Cb 0.94 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 1wgr h LEU 39 CO 0.05 1.03 -0.31 1.33 0.09 0.00 0.00 178.44 180.63 1wgr n VAL 40 N -4.55 -0.45 0.00 1.22 0.24 0.54 -1.39 118.33 113.94 1wgr n VAL 40 Ca -0.17 2.10 0.00 0.00 -2.04 0.00 0.00 64.34 64.24 1wgr n VAL 40 Cb 0.42 -2.82 0.00 0.00 -1.47 0.00 0.00 33.84 29.97 1wgr n VAL 40 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wgr n GLN 41 N -5.38 0.00 0.00 7.34 6.02 -1.13 -4.77 117.38 119.46 1wgr n GLN 41 Ca 0.11 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1wgr n GLN 41 Cb 0.39 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.45 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 -1.66 0.00 0.05 -1.09 0.00 -0.49 -3.74 116.66 109.73 1wgr n ARG 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1wgr n ARG 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 0.00 0.00 -3.72 5.13 0.00 -1.26 -5.05 120.51 115.61 1wgr n ALA 43 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1wgr n ALA 43 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1wgr n ALA 43 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1wgr s HIS 44 N -2.00 2.28 0.11 0.00 -3.43 -1.25 -5.09 115.29 105.91 1wgr s HIS 44 Ca 0.00 -2.68 -0.35 0.00 -0.80 0.00 0.00 55.06 51.23 1wgr s HIS 44 Cb 0.00 -1.97 -0.17 0.00 -1.43 0.00 0.00 32.58 29.00 1wgr s HIS 44 CO 0.00 -0.73 1.08 0.00 -2.00 0.00 0.00 174.74 173.09 1wgr n ALA 45 N 3.01 -2.00 -2.66 -1.38 0.00 -1.25 -4.86 120.51 111.37 1wgr n ALA 45 Ca 0.15 0.51 -0.03 0.00 0.00 0.00 0.00 53.44 54.07 1wgr n ALA 45 Cb 0.37 -1.90 0.11 0.00 0.00 0.00 0.00 19.45 18.03 1wgr n ALA 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wgr n LEU 46 N 1.94 -1.19 -4.41 0.00 4.77 -1.26 -5.09 117.00 111.76 1wgr n LEU 46 Ca 0.18 -1.79 -0.21 0.00 -0.03 0.00 0.00 56.01 54.16 1wgr n LEU 46 Cb 0.18 0.93 -0.09 0.00 -2.33 0.00 0.00 43.42 42.12 1wgr n LEU 46 CO 0.61 1.58 -0.22 -0.94 -1.33 0.00 0.00 177.39 177.08 1wgr s SER 47 N -0.18 2.05 0.00 -1.43 1.04 -1.26 -5.06 113.70 108.87 1wgr s SER 47 Ca 0.21 -1.52 0.03 0.00 0.48 0.00 0.00 55.95 55.16 1wgr s SER 47 Cb 0.29 0.26 0.06 0.00 0.10 0.00 0.00 66.02 66.73 1wgr s SER 47 CO -0.19 -0.80 0.94 0.47 0.98 0.00 0.00 173.24 174.64 1wgr n ASP 48 N -0.90 0.10 -4.30 7.02 9.92 -1.26 -5.07 116.55 122.06 1wgr n ASP 48 Ca -0.02 -1.83 -0.32 0.00 -0.53 0.00 0.00 54.79 52.09 1wgr n ASP 48 Cb 0.66 -0.16 -0.16 0.00 -0.64 0.00 0.00 41.12 40.82 1wgr n ASP 48 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1wgr s GLU 49 N 0.00 3.17 0.62 -1.24 0.41 -1.26 -5.12 118.70 115.28 1wgr s GLU 49 Ca 0.05 -0.79 -0.14 0.00 -0.41 0.00 0.00 54.97 53.68 1wgr s GLU 49 Cb 0.05 -2.45 -0.03 0.00 -1.78 0.00 0.00 34.13 29.93 1wgr s GLU 49 CO -0.02 0.22 1.05 0.99 -0.49 0.00 0.00 175.26 177.00 1wgr s THR 50 N 0.29 4.02 0.27 3.63 2.01 -1.26 -5.07 115.64 119.53 1wgr s THR 50 Ca -0.14 0.83 -0.07 0.00 0.31 0.00 0.00 61.69 62.62 1wgr s THR 50 Cb -0.17 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1wgr s THR 50 CO 0.07 -0.69 0.40 0.26 -0.69 0.00 0.00 174.62 173.97 1wgr s TRP 51 N -2.73 0.75 0.11 4.92 0.52 -1.26 -4.75 118.94 116.51 1wgr s TRP 51 Ca 0.61 -1.04 -0.03 0.00 0.02 0.00 0.00 56.10 55.65 1wgr s TRP 51 Cb -0.14 -0.06 0.01 0.00 -1.15 0.00 0.00 33.47 32.13 1wgr s TRP 51 CO 0.44 -0.96 0.20 0.41 0.02 0.00 0.00 176.95 177.06 1wgr n GLY 52 N -0.42 2.13 3.55 0.98 0.00 -1.22 -5.03 105.19 105.19 1wgr n GLY 52 Ca -0.00 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 2.95 -0.06 0.99 1.43 -1.26 -3.52 118.68 119.21 1wgr s LEU 53 Ca 0.06 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1wgr s LEU 53 Cb -0.01 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1wgr s LEU 53 CO 0.05 0.18 0.05 -0.69 0.23 0.00 0.00 176.35 176.17 1wgr s VAL 54 N -1.19 0.00 0.06 -1.59 1.01 0.56 -2.90 120.40 116.35 1wgr s VAL 54 Ca 0.20 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1wgr s VAL 54 Cb -0.11 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 1wgr s VAL 54 CO 0.13 0.14 1.13 -1.83 0.00 0.00 0.00 175.10 174.67 1wgr s GLU 55 N 2.12 4.48 -0.01 2.72 -1.05 0.22 0.19 118.70 127.37 1wgr s GLU 55 Ca 0.05 1.68 0.02 0.00 -0.15 0.00 0.00 54.97 56.57 1wgr s GLU 55 Cb -0.13 -3.36 -0.03 0.00 -0.44 0.00 0.00 34.13 30.17 1wgr s GLU 55 CO -0.04 -0.17 -0.05 0.00 0.95 0.00 0.00 175.26 175.95 1wgr s HIS 57 N -0.98 3.42 -0.68 0.00 3.76 -0.84 -1.87 115.29 118.11 1wgr s HIS 57 Ca 0.17 -2.74 -0.06 0.00 -0.15 0.00 0.00 55.06 52.27 1wgr s HIS 57 Cb -0.11 -3.14 -0.13 0.00 1.11 0.00 0.00 32.58 30.32 1wgr s HIS 57 CO 0.07 -0.86 2.63 -0.35 -0.85 0.00 0.00 174.74 175.38 1wgr n PRO 58 N 3.67 2.20 0.00 8.40 -0.04 -1.26 -0.96 135.00 147.02 1wgr n PRO 58 Ca 0.05 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1wgr n PRO 58 Cb 0.38 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 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 3.36 -0.43 0.90 0.54 1.44 -1.26 -4.86 115.22 114.91 1wgr n HIS 59 Ca 0.47 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.28 1wgr n HIS 59 Cb 0.40 0.09 0.02 0.00 0.12 0.00 0.00 29.99 30.61 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 2.11 -3.63 2.39 4.77 -1.08 -4.98 117.00 115.10 1wgr n LEU 60 Ca 0.00 -0.82 -0.21 0.00 -0.03 0.00 0.00 56.01 54.95 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 0.38 -0.04 0.00 -1.33 0.00 0.00 177.39 176.41 1wgr n ALA 61 N 0.24 -2.10 -2.53 -1.18 0.00 -0.14 -4.99 120.51 109.81 1wgr n ALA 61 Ca 0.09 -0.14 -0.25 0.00 0.00 0.00 0.00 53.44 53.15 1wgr n ALA 61 Cb 0.45 -2.50 -0.10 0.00 0.00 0.00 0.00 19.45 17.30 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 -6.51 2.78 -0.22 0.00 2.96 -1.21 -4.99 118.68 111.49 1wgr s LEU 62 Ca 0.08 -1.05 -0.03 0.00 -0.22 0.00 0.00 54.13 52.90 1wgr s LEU 62 Cb -0.02 -1.17 0.10 0.00 0.50 0.00 0.00 46.19 45.60 1wgr s LEU 62 CO 0.80 -0.12 0.22 -1.61 -1.32 0.00 0.00 176.35 174.32 1wgr s GLU 63 N -3.61 0.21 -0.01 1.98 8.01 -1.26 -1.98 118.70 122.04 1wgr s GLU 63 Ca 0.32 0.08 0.07 0.00 0.01 0.00 0.00 54.97 55.45 1wgr s GLU 63 Cb -0.01 -1.15 -0.02 0.00 -4.31 0.00 0.00 34.13 28.63 1wgr s GLU 63 CO 0.17 -0.74 -0.23 0.50 0.01 0.00 0.00 175.26 174.97 1wgr s ARG 64 N 2.31 2.13 -0.16 1.61 3.52 -0.60 -4.99 118.95 122.76 1wgr s ARG 64 Ca 0.07 -0.92 -0.05 0.00 -0.13 0.00 0.00 55.73 54.70 1wgr s ARG 64 Cb -0.15 -2.12 -0.03 0.00 -1.56 0.00 0.00 34.95 31.09 1wgr s ARG 64 CO -0.17 0.56 -0.01 0.20 -0.81 0.00 0.00 175.30 175.08 1wgr s GLY 65 N -0.85 1.78 0.25 8.12 0.00 -1.26 0.70 107.32 116.06 1wgr s GLY 65 Ca 0.11 -0.79 0.06 0.00 0.00 0.00 0.00 44.72 44.10 1wgr s GLY 65 CO 0.01 -0.04 0.27 0.48 0.00 0.00 0.00 173.10 173.82 1wgr s LEU 66 N 0.34 4.02 0.00 0.66 2.34 -1.14 -4.97 118.68 119.92 1wgr s LEU 66 Ca -0.02 -0.13 -0.17 0.00 0.06 0.00 0.00 54.13 53.87 1wgr s LEU 66 Cb -0.14 -2.56 0.26 0.00 -0.56 0.00 0.00 46.19 43.19 1wgr s LEU 66 CO 0.02 -0.07 0.82 -0.62 -1.06 0.00 0.00 176.35 175.44 1wgr n GLU 67 N -1.29 -3.19 -0.08 1.48 1.02 -1.26 -4.41 120.64 112.91 1wgr n GLU 67 Ca -0.08 -1.33 -0.17 0.00 -0.02 0.00 0.00 57.16 55.56 1wgr n GLU 67 Cb 0.58 -1.37 -0.13 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.65 0.01 0.03 1.62 3.32 -1.96 -3.31 116.42 113.48 1wgr h ASP 68 Ca -0.32 -0.82 -0.00 0.00 0.02 0.00 0.00 57.03 55.90 1wgr h ASP 68 Cb 1.02 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1wgr h ASP 68 CO 0.21 1.20 -0.01 1.12 -1.72 0.00 0.00 179.24 180.03 1wgr h HIS 69 N -0.98 0.00 -2.00 4.55 2.07 -1.94 0.18 115.15 117.03 1wgr h HIS 69 Ca -0.13 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.75 1wgr h HIS 69 Cb 1.13 0.00 0.06 0.00 2.57 0.00 0.00 27.41 31.18 1wgr h HIS 69 CO 0.21 0.01 0.54 0.39 -3.07 0.00 0.00 177.93 176.01 1wgr n GLU 70 N -3.97 1.53 -2.45 5.12 -0.58 -1.25 -4.65 120.64 114.39 1wgr n GLU 70 Ca -0.03 0.55 -0.43 0.00 -0.42 0.00 0.00 57.16 56.83 1wgr n GLU 70 Cb 0.10 -2.21 -0.02 0.00 -0.57 0.00 0.00 31.44 28.74 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 0.50 6.38 0.30 1.62 0.01 -1.26 -0.79 113.70 120.46 1wgr s SER 71 Ca 0.79 0.53 0.06 0.00 1.31 0.00 0.00 55.95 58.64 1wgr s SER 71 Cb -0.83 -2.55 0.81 0.00 0.21 0.00 0.00 66.02 63.67 1wgr s SER 71 CO 0.45 -1.45 1.68 -0.37 0.41 0.00 0.00 173.24 173.96 1wgr h VAL 72 N 6.36 0.40 0.41 3.43 -1.51 -1.82 0.59 116.25 124.12 1wgr h VAL 72 Ca -0.26 -0.12 -0.02 0.00 -1.23 0.00 0.00 66.70 65.07 1wgr h VAL 72 Cb 1.08 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1wgr h VAL 72 CO 1.13 0.06 -0.20 0.58 -1.23 0.00 0.00 177.57 177.91 1wgr h VAL 73 N 0.35 0.00 -0.48 7.19 2.07 -1.90 1.49 116.25 124.98 1wgr h VAL 73 Ca 0.60 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 68.15 1wgr h VAL 73 Cb 1.21 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1wgr h VAL 73 CO -0.57 0.00 0.70 -0.33 0.02 0.00 0.00 177.57 177.39 1wgr h GLU 74 N -0.67 0.00 0.11 1.57 5.08 -1.62 1.61 114.58 120.66 1wgr h GLU 74 Ca -0.06 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.00 1wgr h GLU 74 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1wgr h GLU 74 CO 0.09 0.00 -1.62 0.28 -1.00 0.00 0.00 179.01 176.76 1wgr h VAL 75 N 0.00 0.86 0.00 3.13 2.07 0.52 -3.24 116.25 119.59 1wgr h VAL 75 Ca 0.23 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1wgr h VAL 75 Cb 1.64 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.97 1wgr h VAL 75 CO -0.00 0.72 0.00 0.00 0.02 0.00 0.00 177.57 178.31 1wgr n GLN 76 N -3.83 0.20 0.03 1.57 10.64 0.51 -2.62 117.38 123.87 1wgr n GLN 76 Ca -0.29 0.08 -0.14 0.00 -1.83 0.00 0.00 57.00 54.82 1wgr n GLN 76 Cb 0.93 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.67 1wgr n GLN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wgr h ALA 77 N 2.99 0.47 -0.13 2.61 0.00 0.19 -3.30 119.26 122.08 1wgr h ALA 77 Ca 0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 54.91 53.58 1wgr h ALA 77 Cb 0.30 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1wgr h ALA 77 CO 0.00 1.33 -0.28 0.00 0.00 0.00 0.00 179.25 180.30 1wgr h ALA 78 N 0.64 1.28 -1.53 0.00 0.00 -1.53 -3.44 119.26 114.69 1wgr h ALA 78 Ca -0.26 -0.32 -0.64 0.00 0.00 0.00 0.00 54.91 53.69 1wgr h ALA 78 Cb 1.99 -0.09 0.12 0.00 0.00 0.00 0.00 17.79 19.81 1wgr h ALA 78 CO 0.12 0.49 -0.26 0.91 0.00 0.00 0.00 179.25 180.51 1wgr n TRP 79 N -4.14 0.19 -1.53 0.00 8.01 -1.21 -4.92 117.44 113.84 1wgr n TRP 79 Ca -0.01 0.81 -0.29 0.00 -1.31 0.00 0.00 57.50 56.70 1wgr n TRP 79 Cb 0.38 -2.08 0.16 0.00 -2.01 0.00 0.00 31.31 27.77 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 -1.29 0.61 0.12 -0.99 0.04 -1.26 -5.02 135.00 127.20 1wgr s PRO 80 Ca 0.62 0.09 -0.25 0.00 0.04 0.00 0.00 61.00 61.49 1wgr s PRO 80 Cb -0.79 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 31.88 1wgr s PRO 80 CO 0.58 -2.52 0.77 0.54 0.04 0.00 0.00 177.00 176.41 1wgr s VAL 81 N -3.35 4.51 0.00 -0.36 0.11 -1.26 -3.85 120.40 116.21 1wgr s VAL 81 Ca 0.67 1.67 0.00 0.00 -2.93 0.00 0.00 61.98 61.39 1wgr s VAL 81 Cb -0.12 -4.13 0.00 0.00 -1.53 0.00 0.00 36.38 30.61 1wgr s VAL 81 CO 0.54 0.46 0.00 0.61 -3.33 0.00 0.00 175.10 173.38 1wgr n GLY 82 N 1.90 2.35 0.33 6.54 0.00 -1.26 -4.81 105.19 110.24 1wgr n GLY 82 Ca -0.05 -0.52 0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -0.75 3.61 -0.02 0.00 -1.25 -4.76 105.19 102.02 1wgr n GLY 83 Ca 0.00 0.79 -0.24 0.00 0.00 0.00 0.00 46.02 46.58 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 -5.18 -5.98 -4.71 1.61 9.92 -1.26 -4.06 116.55 106.88 1wgr n ASP 84 Ca 0.38 -0.56 -0.35 0.00 -0.53 0.00 0.00 54.79 53.73 1wgr n ASP 84 Cb 1.30 -4.98 0.10 0.00 -0.64 0.00 0.00 41.12 36.90 1wgr n ASP 84 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1wgr s SER 85 N -3.40 4.02 0.20 -2.24 0.01 -1.26 -4.56 113.70 106.47 1wgr s SER 85 Ca 0.55 2.49 0.03 0.00 1.31 0.00 0.00 55.95 60.33 1wgr s SER 85 Cb -0.24 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.37 1wgr s SER 85 CO 0.74 -2.39 0.20 -2.11 0.41 0.00 0.00 173.24 170.09 1wgr n ARG 86 N -2.68 0.30 -4.95 12.44 -4.01 -0.78 -4.98 116.66 112.00 1wgr n ARG 86 Ca 0.15 -1.90 -0.32 0.00 -1.04 0.00 0.00 57.85 54.73 1wgr n ARG 86 Cb 0.49 1.63 -0.14 0.00 -3.04 0.00 0.00 32.46 31.41 1wgr n ARG 86 CO 0.00 0.00 0.00 -0.06 -3.04 0.00 0.00 177.63 174.53 1wgr s PHE 87 N -3.07 2.58 -0.08 2.89 0.08 -1.22 -0.21 117.98 118.94 1wgr s PHE 87 Ca 0.22 -0.24 0.03 0.00 0.12 0.00 0.00 56.93 57.06 1wgr s PHE 87 Cb 0.01 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 1wgr s PHE 87 CO 0.16 0.15 -0.19 0.08 -0.10 0.00 0.00 175.22 175.31 1wgr s VAL 88 N -0.74 1.68 -0.30 -0.44 1.01 0.49 0.17 120.40 122.26 1wgr s VAL 88 Ca 0.12 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 1wgr s VAL 88 Cb -0.10 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1wgr s VAL 88 CO 0.01 0.47 0.58 0.12 0.00 0.00 0.00 175.10 176.29 1wgr s PHE 89 N 0.44 3.22 -0.09 5.22 5.36 -0.42 -0.32 117.98 131.38 1wgr s PHE 89 Ca -0.16 0.52 -0.17 0.00 -0.96 0.00 0.00 56.93 56.16 1wgr s PHE 89 Cb -0.17 -2.92 0.04 0.00 -0.34 0.00 0.00 43.02 39.63 1wgr s PHE 89 CO 0.07 -0.44 0.41 -0.98 -1.46 0.00 0.00 175.22 172.81 1wgr s ARG 90 N 2.50 0.63 -0.16 10.12 1.70 -1.23 -4.34 118.95 128.17 1wgr s ARG 90 Ca 0.23 0.24 -0.01 0.00 -0.47 0.00 0.00 55.73 55.72 1wgr s ARG 90 Cb -0.15 0.29 -0.23 0.00 -0.57 0.00 0.00 34.95 34.29 1wgr s ARG 90 CO 0.12 -0.14 0.19 0.36 -1.08 0.00 0.00 175.30 174.74 1wgr n LYS 91 N 2.00 0.71 -3.79 3.89 2.85 -1.26 -3.43 118.16 119.13 1wgr n LYS 91 Ca -0.17 0.22 -0.36 0.00 -1.05 0.00 0.00 58.31 56.95 1wgr n LYS 91 Cb 0.57 -1.65 -0.12 0.00 -0.65 0.00 0.00 35.03 33.18 1wgr n LYS 91 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1wgr s ASN 92 N -6.73 5.19 0.31 -5.58 2.47 -1.26 -4.89 114.94 104.45 1wgr s ASN 92 Ca -0.24 -2.17 0.08 0.00 0.42 0.00 0.00 52.86 50.94 1wgr s ASN 92 Cb 0.07 -1.81 -0.06 0.00 -1.45 0.00 0.00 41.25 38.00 1wgr s ASN 92 CO 0.72 -0.50 -0.07 0.72 -3.72 0.00 0.00 177.10 174.25 1wgr s PHE 93 N 0.93 2.15 0.35 0.43 -0.71 -1.26 -5.10 117.98 114.77 1wgr s PHE 93 Ca 0.10 -0.62 -0.27 0.00 -1.04 0.00 0.00 56.93 55.10 1wgr s PHE 93 Cb -0.22 -1.24 -0.12 0.00 -1.21 0.00 0.00 43.02 40.23 1wgr s PHE 93 CO -0.04 0.41 1.09 0.00 -1.34 0.00 0.00 175.22 175.33 1wgr n ALA 94 N -0.68 0.36 -3.52 1.99 0.00 -1.26 -4.97 120.51 112.42 1wgr n ALA 94 Ca -0.05 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 1wgr n ALA 94 Cb 0.64 -2.11 -0.14 0.00 0.00 0.00 0.00 19.45 17.84 1wgr n ALA 94 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wgr s SER 95 N -0.55 3.38 -0.11 0.00 0.01 -1.26 -4.89 113.70 110.27 1wgr s SER 95 Ca 0.59 -1.60 -0.31 0.00 1.31 0.00 0.00 55.95 55.94 1wgr s SER 95 Cb -0.61 -0.39 0.12 0.00 0.21 0.00 0.00 66.02 65.35 1wgr s SER 95 CO 0.60 -0.40 1.04 -0.83 0.41 0.00 0.00 173.24 174.06 1wgr s GLY 96 N 1.73 -0.33 -0.08 3.44 0.00 -1.26 -5.07 107.32 105.75 1wgr s GLY 96 Ca 0.12 1.54 -0.22 0.00 0.00 0.00 0.00 44.72 46.17 1wgr s GLY 96 CO -0.24 0.61 0.81 -0.56 0.00 0.00 0.00 173.10 173.72 1wgr h PRO 97 N 2.14 -0.11 -2.71 2.90 0.13 -2.04 -3.50 132.00 128.80 1wgr h PRO 97 Ca -0.16 0.01 0.25 0.00 -0.87 0.00 0.00 66.00 65.22 1wgr h PRO 97 Cb 1.20 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1wgr h PRO 97 CO 0.28 0.43 -0.97 0.45 -0.23 0.00 0.00 178.00 177.96 1wgr n SER 98 N -4.82 -6.04 -4.01 1.44 2.88 -1.26 -4.80 113.62 97.01 1wgr n SER 98 Ca -0.08 1.15 -0.32 0.00 -1.33 0.00 0.00 58.87 58.29 1wgr n SER 98 Cb 0.29 -3.81 -0.13 0.00 -0.75 0.00 0.00 64.21 59.81 1wgr n SER 98 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgr s SER 99 N -6.39 4.69 0.00 -3.46 0.15 -1.26 -5.32 113.70 102.11 1wgr s SER 99 Ca 0.00 -2.81 0.00 0.00 0.70 0.00 0.00 55.95 53.84 1wgr s SER 99 Cb 0.00 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 1wgr s SER 99 CO 0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74