#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyl s SER 2 N 0.00 1.78 0.15 1.61 0.15 -1.26 -5.13 113.70 111.00 1wyl s SER 2 Ca 0.00 -0.24 -0.25 0.00 0.70 0.00 0.00 55.95 56.16 1wyl s SER 2 Cb 0.00 -0.71 0.06 0.00 -1.71 0.00 0.00 66.02 63.66 1wyl s SER 2 CO 0.00 -0.08 0.97 -0.55 1.20 0.00 0.00 173.24 174.78 1wyl s SER 3 N 1.33 -0.17 0.00 5.45 0.15 -1.26 -5.15 113.70 114.05 1wyl s SER 3 Ca -0.03 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1wyl s SER 3 Cb -0.14 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1wyl s SER 3 CO -0.03 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.13 1wyl n GLY 4 N -0.48 0.52 3.62 9.45 0.00 -1.26 -5.12 105.19 111.93 1wyl n GLY 4 Ca -0.06 0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 1wyl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyl s SER 5 N 1.95 6.49 -0.16 1.61 0.01 -1.26 -4.96 113.70 117.38 1wyl s SER 5 Ca 0.00 0.60 -0.26 0.00 1.31 0.00 0.00 55.95 57.59 1wyl s SER 5 Cb 0.00 -2.30 -0.24 0.00 0.21 0.00 0.00 66.02 63.69 1wyl s SER 5 CO 0.00 -0.30 0.60 0.28 0.41 0.00 0.00 173.24 174.23 1wyl h SER 6 N 7.92 0.03 -3.48 2.44 0.02 -2.05 -3.50 113.55 114.93 1wyl h SER 6 Ca -0.29 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 59.82 1wyl h SER 6 Cb 1.14 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1wyl h SER 6 CO 0.73 1.18 -0.05 0.61 -1.14 0.00 0.00 176.83 178.16 1wyl n GLY 7 N 1.56 -0.66 3.83 -3.77 0.00 -1.26 -5.10 105.19 99.79 1wyl n GLY 7 Ca -0.17 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 1wyl n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wyl s THR 8 N -2.15 0.00 -0.44 2.61 -1.32 -1.26 -5.00 115.64 108.08 1wyl s THR 8 Ca 0.03 -0.83 0.16 0.00 -1.21 0.00 0.00 61.69 59.84 1wyl s THR 8 Cb -0.01 -2.69 0.16 0.00 -1.51 0.00 0.00 72.50 68.45 1wyl s THR 8 CO 0.16 0.00 1.50 0.00 -2.21 0.00 0.00 174.62 174.07 1wyl n GLN 9 N -0.57 0.11 -0.01 7.08 3.00 -1.26 -1.80 117.38 123.92 1wyl n GLN 9 Ca -0.06 0.58 0.02 0.00 -0.01 0.00 0.00 57.00 57.53 1wyl n GLN 9 Cb 0.60 -1.83 0.36 0.00 0.00 0.00 0.00 30.24 29.37 1wyl n GLN 9 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1wyl h GLU 10 N 0.00 0.56 0.07 -1.09 4.57 -1.99 0.86 114.58 117.56 1wyl h GLU 10 Ca 0.00 -0.06 -0.24 0.00 -1.18 0.00 0.00 59.36 57.87 1wyl h GLU 10 Cb 0.04 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1wyl h GLU 10 CO 0.00 0.45 -1.11 0.93 -1.18 0.00 0.00 179.01 178.10 1wyl h GLU 11 N 0.56 0.20 0.33 1.92 5.08 -1.78 -3.08 114.58 117.81 1wyl h GLU 11 Ca 0.14 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1wyl h GLU 11 Cb 0.09 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1wyl h GLU 11 CO -0.02 1.12 -0.16 1.25 -1.00 0.00 0.00 179.01 180.20 1wyl h LEU 12 N 0.07 -0.37 -0.05 1.33 5.85 -1.51 -1.66 115.31 118.96 1wyl h LEU 12 Ca -0.09 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1wyl h LEU 12 Cb 1.82 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.90 1wyl h LEU 12 CO 0.17 0.10 -0.48 0.25 -0.34 0.00 0.00 178.44 178.14 1wyl h LEU 13 N -1.04 -1.49 0.37 2.25 5.85 -1.00 0.20 115.31 120.46 1wyl h LEU 13 Ca -0.04 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1wyl h LEU 13 Cb 0.46 0.57 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1wyl h LEU 13 CO 0.07 -0.45 -0.49 0.03 -0.34 0.00 0.00 178.44 177.26 1wyl h ARG 14 N -0.56 -0.87 -0.99 1.25 3.08 -1.68 0.23 114.38 114.85 1wyl h ARG 14 Ca 0.02 0.06 0.29 0.00 0.07 0.00 0.00 59.98 60.41 1wyl h ARG 14 Cb 0.62 0.20 -0.14 0.00 0.08 0.00 0.00 29.97 30.73 1wyl h ARG 14 CO -0.35 -0.58 0.55 2.35 -1.07 0.00 0.00 179.97 180.87 1wyl h TRP 15 N -0.90 0.91 0.02 3.04 7.01 -1.06 0.30 115.95 125.27 1wyl h TRP 15 Ca -0.04 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 1wyl h TRP 15 Cb 0.82 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.64 1wyl h TRP 15 CO -0.31 -0.09 -0.01 0.00 -2.79 0.00 0.00 178.44 175.24 1wyl h GLN 17 N -0.41 0.22 -0.50 0.00 4.20 0.11 0.76 115.11 119.49 1wyl h GLN 17 Ca -0.00 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1wyl h GLN 17 Cb 0.39 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1wyl h GLN 17 CO 0.00 0.14 0.10 0.93 -0.67 0.00 0.00 178.83 179.34 1wyl h GLU 18 N 0.22 0.82 0.34 1.46 5.08 -1.39 -0.27 114.58 120.84 1wyl h GLU 18 Ca 0.75 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.89 1wyl h GLU 18 Cb 1.78 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1wyl h GLU 18 CO -0.66 0.80 -0.16 1.96 -1.00 0.00 0.00 179.01 179.95 1wyl h GLN 19 N 0.70 -0.44 0.00 2.33 1.08 0.36 -3.15 115.11 115.98 1wyl h GLN 19 Ca 0.15 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1wyl h GLN 19 Cb 0.36 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1wyl h GLN 19 CO 0.01 -0.21 0.04 0.25 -0.95 0.00 0.00 178.83 177.97 1wyl n THR 20 N -5.08 0.97 -0.79 -0.54 -2.24 0.12 -4.51 114.28 102.21 1wyl n THR 20 Ca -0.07 0.74 -0.28 0.00 -2.27 0.00 0.00 64.05 62.17 1wyl n THR 20 Cb 0.22 -1.74 0.23 0.00 -2.10 0.00 0.00 70.33 66.94 1wyl n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wyl s ALA 21 N -3.53 -0.01 0.00 6.98 0.00 -0.11 -3.77 121.76 121.33 1wyl s ALA 21 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1wyl s ALA 21 Cb 0.06 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1wyl s ALA 21 CO 0.19 -3.58 0.00 0.41 0.00 0.00 0.00 175.76 172.78 1wyl n GLY 22 N 0.05 1.47 3.57 0.00 0.00 -1.26 -4.94 105.19 104.08 1wyl n GLY 22 Ca 0.05 -0.02 -0.58 0.00 0.00 0.00 0.00 46.02 45.46 1wyl n GLY 22 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wyl n TYR 23 N 0.00 1.10 -2.04 1.61 4.19 -1.25 -4.78 117.16 115.98 1wyl n TYR 23 Ca 0.00 0.94 -0.39 0.00 3.31 0.00 0.00 57.90 61.76 1wyl n TYR 23 Cb 0.00 -2.19 -0.03 0.00 0.49 0.00 0.00 39.34 37.61 1wyl n TYR 23 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1wyl s PRO 24 N 0.76 2.71 0.00 2.98 0.04 -1.26 -2.66 135.00 137.58 1wyl s PRO 24 Ca 0.92 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1wyl s PRO 24 Cb -1.21 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 28.97 1wyl s PRO 24 CO 0.59 -2.62 0.00 0.41 0.04 0.00 0.00 177.00 175.41 1wyl n GLY 25 N 5.66 1.92 2.77 0.56 0.00 -1.26 -5.11 105.19 109.73 1wyl n GLY 25 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1wyl n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wyl s VAL 26 N -2.00 0.58 -0.47 1.61 1.01 -1.09 -4.92 120.40 115.13 1wyl s VAL 26 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1wyl s VAL 26 Cb 0.00 -0.94 0.15 0.00 0.00 0.00 0.00 36.38 35.59 1wyl s VAL 26 CO 0.00 -0.02 0.30 -2.28 0.00 0.00 0.00 175.10 173.09 1wyl s HIS 27 N 1.85 1.93 -0.27 5.22 2.46 -1.26 -4.75 115.29 120.47 1wyl s HIS 27 Ca 0.01 -2.47 -0.29 0.00 0.47 0.00 0.00 55.06 52.78 1wyl s HIS 27 Cb -0.15 -1.72 0.01 0.00 -0.13 0.00 0.00 32.58 30.58 1wyl s HIS 27 CO -0.07 -0.76 1.10 0.08 -2.47 0.00 0.00 174.74 172.62 1wyl s VAL 28 N 0.07 4.52 0.00 0.89 1.01 -1.26 -4.82 120.40 120.81 1wyl s VAL 28 Ca 0.22 1.80 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1wyl s VAL 28 Cb -0.15 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1wyl s VAL 28 CO -0.07 -0.33 0.00 -0.24 0.00 0.00 0.00 175.10 174.47 1wyl n SER 29 N 6.69 3.57 -3.61 3.32 2.88 -1.26 -4.79 113.62 120.41 1wyl n SER 29 Ca 0.12 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.51 1wyl n SER 29 Cb 0.46 0.56 -0.07 0.00 -0.75 0.00 0.00 64.21 64.41 1wyl n SER 29 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1wyl s ASP 30 N -1.85 -0.67 -0.01 -3.46 1.47 -1.26 -5.03 116.67 105.85 1wyl s ASP 30 Ca 0.00 1.12 -0.00 0.00 1.18 0.00 0.00 52.55 54.85 1wyl s ASP 30 Cb 0.00 1.09 0.01 0.00 -0.34 0.00 0.00 42.92 43.68 1wyl s ASP 30 CO 0.00 -0.36 1.85 0.18 0.68 0.00 0.00 175.17 177.52 1wyl n LEU 31 N 2.11 5.03 -0.06 2.11 4.32 -1.26 -3.44 117.00 125.81 1wyl n LEU 31 Ca -0.16 -2.30 -0.11 0.00 -0.02 0.00 0.00 56.01 53.43 1wyl n LEU 31 Cb 0.56 -1.03 -0.04 0.00 -1.62 0.00 0.00 43.42 41.29 1wyl n LEU 31 CO 0.11 0.94 -0.68 -1.20 -1.22 0.00 0.00 177.39 175.34 1wyl n SER 32 N 1.31 1.56 0.00 -1.43 7.64 -1.26 -4.78 113.62 116.66 1wyl n SER 32 Ca 0.01 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1wyl n SER 32 Cb 0.50 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1wyl n SER 32 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wyl n SER 33 N -4.05 1.77 -0.42 6.43 3.41 -1.25 -4.61 113.62 114.89 1wyl n SER 33 Ca -0.18 0.00 0.39 0.00 -0.26 0.00 0.00 58.87 58.82 1wyl n SER 33 Cb 0.48 0.04 0.62 0.00 -0.26 0.00 0.00 64.21 65.09 1wyl n SER 33 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1wyl h SER 34 N 0.00 0.00 0.26 4.04 0.02 -1.90 1.95 113.55 117.92 1wyl h SER 34 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1wyl h SER 34 Cb 0.42 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 1wyl h SER 34 CO 0.00 0.00 -2.02 0.79 -1.14 0.00 0.00 176.83 174.46 1wyl n TRP 35 N -3.58 0.59 -0.32 3.45 7.02 -1.26 -4.38 117.44 118.96 1wyl n TRP 35 Ca 0.32 0.20 0.00 0.00 -1.02 0.00 0.00 57.50 57.01 1wyl n TRP 35 Cb 1.71 -1.10 0.07 0.00 -2.42 0.00 0.00 31.31 29.56 1wyl n TRP 35 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wyl h ALA 36 N 0.90 0.31 -0.97 6.99 0.00 0.29 0.37 119.26 127.15 1wyl h ALA 36 Ca -0.41 0.29 0.34 0.00 0.00 0.00 0.00 54.91 55.13 1wyl h ALA 36 Cb 2.10 0.82 -0.10 0.00 0.00 0.00 0.00 17.79 20.61 1wyl h ALA 36 CO 0.05 -0.53 0.62 -0.40 0.00 0.00 0.00 179.25 178.99 1wyl n ASP 37 N -5.51 0.16 0.00 0.00 5.68 -1.19 -3.93 116.55 111.76 1wyl n ASP 37 Ca 0.11 1.02 0.00 0.00 -0.50 0.00 0.00 54.79 55.41 1wyl n ASP 37 Cb 0.41 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 1wyl n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wyl n GLY 38 N -1.36 2.80 0.06 6.12 0.00 0.13 -4.46 105.19 108.47 1wyl n GLY 38 Ca 0.29 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1wyl n GLY 38 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wyl h LEU 39 N 0.00 0.07 -0.44 0.99 3.38 -1.85 -3.05 115.31 114.42 1wyl h LEU 39 Ca 0.00 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1wyl h LEU 39 Cb 0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1wyl h LEU 39 CO 0.00 0.06 -0.26 0.00 0.09 0.00 0.00 178.44 178.33 1wyl n ALA 40 N -2.11 -0.28 -0.30 1.53 0.00 -1.26 0.19 120.51 118.28 1wyl n ALA 40 Ca -0.06 0.37 0.08 0.00 0.00 0.00 0.00 53.44 53.83 1wyl n ALA 40 Cb 0.03 0.06 0.29 0.00 0.00 0.00 0.00 19.45 19.84 1wyl n ALA 40 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wyl h LEU 41 N 0.00 0.81 -0.08 0.00 3.38 -1.82 -1.64 115.31 115.96 1wyl h LEU 41 Ca 0.07 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1wyl h LEU 41 Cb 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wyl h LEU 41 CO -0.41 0.46 -0.05 0.00 0.09 0.00 0.00 178.44 178.53 1wyl h ALA 43 N 1.02 -0.80 -1.03 0.00 0.00 -0.18 0.14 119.26 118.42 1wyl h ALA 43 Ca 0.05 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 55.04 1wyl h ALA 43 Cb 0.12 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 1wyl h ALA 43 CO -0.11 -0.92 0.62 1.25 0.00 0.00 0.00 179.25 180.09 1wyl h LEU 44 N -0.87 0.58 0.26 0.00 5.85 -1.24 0.14 115.31 120.02 1wyl h LEU 44 Ca -0.08 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1wyl h LEU 44 Cb 0.64 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1wyl h LEU 44 CO 0.13 0.05 -0.12 0.58 -0.34 0.00 0.00 178.44 178.73 1wyl h VAL 45 N 0.47 0.53 -0.42 1.05 2.07 -0.96 -2.47 116.25 116.52 1wyl h VAL 45 Ca 0.66 -0.89 0.09 0.00 0.82 0.00 0.00 66.70 67.37 1wyl h VAL 45 Cb 1.43 0.88 -0.09 0.00 -1.52 0.00 0.00 31.29 31.99 1wyl h VAL 45 CO -0.46 0.13 -0.19 1.88 0.02 0.00 0.00 177.57 178.96 1wyl h TYR 46 N -0.95 -0.47 0.39 1.57 0.05 -0.02 -2.65 116.97 114.88 1wyl h TYR 46 Ca -0.04 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1wyl h TYR 46 Cb 0.48 0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 1wyl h TYR 46 CO 0.05 -0.27 -0.31 0.00 -1.05 0.00 0.00 178.16 176.58 1wyl h ARG 47 N -0.11 -0.65 -0.94 4.88 -0.00 -0.87 -2.25 114.38 114.45 1wyl h ARG 47 Ca 0.20 0.04 0.34 0.00 -0.50 0.00 0.00 59.98 60.07 1wyl h ARG 47 Cb 0.42 0.15 -0.11 0.00 0.00 0.00 0.00 29.97 30.43 1wyl h ARG 47 CO -0.49 -0.43 0.58 1.28 0.00 0.00 0.00 179.97 180.91 1wyl n LEU 48 N -4.24 0.18 -3.63 3.04 4.77 -0.93 -2.70 117.00 113.49 1wyl n LEU 48 Ca -0.08 1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 56.67 1wyl n LEU 48 Cb 0.29 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.72 1wyl n LEU 48 CO 0.18 -1.17 -0.30 -1.10 -1.33 0.00 0.00 177.39 173.67 1wyl s GLN 49 N -4.89 0.78 0.00 3.23 -0.21 -0.86 -4.97 119.66 112.75 1wyl s GLN 49 Ca -0.06 -1.36 0.15 0.00 0.02 0.00 0.00 55.36 54.11 1wyl s GLN 49 Cb 0.23 -1.82 0.79 0.00 1.00 0.00 0.00 33.01 33.22 1wyl s GLN 49 CO 0.59 -1.10 1.38 -0.35 -2.12 0.00 0.00 175.29 173.69 1wyl n PRO 50 N 4.29 0.29 0.03 2.91 -0.04 -1.10 -2.57 135.00 138.80 1wyl n PRO 50 Ca 0.04 0.10 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 1wyl n PRO 50 Cb 0.38 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.23 1wyl n PRO 50 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1wyl h GLY 51 N 2.41 0.00 -1.49 0.55 0.00 -1.90 -3.47 103.07 99.17 1wyl h GLY 51 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1wyl h GLY 51 CO 0.00 0.00 0.33 1.08 0.00 0.00 0.00 176.54 177.95 1wyl s LEU 52 N -6.34 3.16 0.96 3.11 1.43 -1.06 -5.00 118.68 114.94 1wyl s LEU 52 Ca -0.02 1.99 -0.12 0.00 -1.03 0.00 0.00 54.13 54.95 1wyl s LEU 52 Cb 0.09 -4.54 0.15 0.00 0.03 0.00 0.00 46.19 41.91 1wyl s LEU 52 CO 0.82 -2.06 0.27 0.00 0.23 0.00 0.00 176.35 175.61 1wyl n LEU 53 N -3.14 -1.42 -4.61 1.79 -0.00 -1.26 -5.01 117.00 103.34 1wyl n LEU 53 Ca 0.10 -0.35 -0.23 0.00 -0.00 0.00 0.00 56.01 55.53 1wyl n LEU 53 Cb 0.52 -0.74 -0.08 0.00 -0.00 0.00 0.00 43.42 43.13 1wyl n LEU 53 CO 0.50 -3.13 -0.36 -1.61 -0.00 0.00 0.00 177.39 172.80 1wyl s GLU 54 N -3.31 2.18 0.00 1.47 2.02 -1.26 -4.96 118.70 114.83 1wyl s GLU 54 Ca 0.33 -1.47 0.04 0.00 0.02 0.00 0.00 54.97 53.88 1wyl s GLU 54 Cb -0.05 -2.09 0.21 0.00 0.10 0.00 0.00 34.13 32.30 1wyl s GLU 54 CO 0.31 0.36 0.68 -0.35 0.02 0.00 0.00 175.26 176.28 1wyl n PRO 55 N -0.82 0.49 -0.25 0.39 -0.04 -1.26 -4.17 135.00 129.34 1wyl n PRO 55 Ca -0.06 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.62 1wyl n PRO 55 Cb 0.59 -1.11 0.38 0.00 -0.04 0.00 0.00 33.50 33.32 1wyl n PRO 55 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wyl n SER 56 N -0.61 0.14 -0.01 3.54 7.64 -1.26 0.24 113.62 123.30 1wyl n SER 56 Ca 0.03 0.85 -0.20 0.00 1.01 0.00 0.00 58.87 60.56 1wyl n SER 56 Cb 0.01 -0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 62.66 1wyl n SER 56 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1wyl h GLU 57 N 0.00 0.19 -1.04 1.43 4.39 -2.04 -3.34 114.58 114.17 1wyl h GLU 57 Ca 0.51 -0.32 0.27 0.00 0.34 0.00 0.00 59.36 60.16 1wyl h GLU 57 Cb 1.57 0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 30.24 1wyl h GLU 57 CO -0.32 1.15 0.67 -0.07 -1.16 0.00 0.00 179.01 179.29 1wyl h LEU 58 N -0.53 0.43 -1.18 1.33 4.07 0.28 -0.62 115.31 119.10 1wyl h LEU 58 Ca -0.22 0.08 0.42 0.00 0.08 0.00 0.00 57.88 58.23 1wyl h LEU 58 Cb 1.55 0.01 -0.13 0.00 1.08 0.00 0.00 40.66 43.17 1wyl h LEU 58 CO 0.04 0.08 0.74 0.00 -1.08 0.00 0.00 178.44 178.22 1wyl n GLN 59 N -4.61 -0.04 -0.09 1.13 6.02 -0.38 -0.48 117.38 118.94 1wyl n GLN 59 Ca 0.25 1.13 -0.22 0.00 -0.01 0.00 0.00 57.00 58.15 1wyl n GLN 59 Cb 0.89 -2.20 -0.12 0.00 1.02 0.00 0.00 30.24 29.83 1wyl n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wyl n GLY 60 N -1.43 -0.51 2.79 1.08 0.00 -0.25 -4.99 105.19 101.88 1wyl n GLY 60 Ca 0.36 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1wyl n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyl n LEU 61 N -3.71 -4.21 0.00 0.99 4.77 0.37 -4.95 117.00 110.26 1wyl n LEU 61 Ca -0.42 0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 1wyl n LEU 61 Cb 0.94 -0.72 0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1wyl n LEU 61 CO 0.25 -4.76 0.47 0.61 -1.33 0.00 0.00 177.39 172.63 1wyl n GLY 62 N 2.62 -1.35 0.23 -0.72 0.00 -1.26 -4.80 105.19 99.91 1wyl n GLY 62 Ca 0.03 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 1wyl n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyl h ALA 63 N -1.90 -0.31 0.11 4.61 0.00 -1.93 -1.94 119.26 117.91 1wyl h ALA 63 Ca -0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1wyl h ALA 63 Cb 0.63 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1wyl h ALA 63 CO 0.16 -0.71 -0.05 1.25 0.00 0.00 0.00 179.25 179.89 1wyl h LEU 64 N -0.36 -0.13 -1.99 0.00 5.85 -1.90 -2.81 115.31 113.97 1wyl h LEU 64 Ca 0.03 -0.25 0.39 0.00 0.84 0.00 0.00 57.88 58.89 1wyl h LEU 64 Cb 0.38 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1wyl h LEU 64 CO -0.11 0.18 0.97 -0.33 -0.34 0.00 0.00 178.44 178.81 1wyl h GLU 65 N -0.45 0.00 0.01 1.25 4.39 -1.89 -2.06 114.58 115.83 1wyl h GLU 65 Ca -0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1wyl h GLU 65 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1wyl h GLU 65 CO 0.03 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 177.87 1wyl h ALA 66 N 1.31 -0.51 -1.47 3.43 0.00 -1.08 -3.25 119.26 117.69 1wyl h ALA 66 Ca 0.64 -0.00 0.48 0.00 0.00 0.00 0.00 54.91 56.02 1wyl h ALA 66 Cb 2.58 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 20.25 1wyl h ALA 66 CO -0.01 -0.51 0.97 1.15 0.00 0.00 0.00 179.25 180.85 1wyl h THR 67 N -0.02 0.05 -0.22 0.00 2.02 -1.33 0.34 112.91 113.74 1wyl h THR 67 Ca -0.00 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1wyl h THR 67 Cb 0.01 0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.37 1wyl h THR 67 CO 0.00 0.01 -0.22 0.00 0.37 0.00 0.00 175.52 175.68 1wyl h ALA 68 N 1.50 -0.11 0.71 6.16 0.00 -1.43 -1.53 119.26 124.56 1wyl h ALA 68 Ca 0.87 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.82 1wyl h ALA 68 Cb 2.91 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 21.15 1wyl h ALA 68 CO -0.36 -0.65 -0.45 2.35 0.00 0.00 0.00 179.25 180.14 1wyl h TRP 69 N -0.23 -1.21 -0.97 0.00 7.01 -0.38 -1.95 115.95 118.22 1wyl h TRP 69 Ca 0.13 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.27 1wyl h TRP 69 Cb 0.43 0.44 -0.16 0.00 -2.10 0.00 0.00 29.16 27.77 1wyl h TRP 69 CO -0.37 -0.67 -0.37 0.00 -2.79 0.00 0.00 178.44 174.25 1wyl h ALA 70 N -1.22 0.20 -0.09 2.65 0.00 -1.45 1.61 119.26 120.97 1wyl h ALA 70 Ca -0.09 0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1wyl h ALA 70 Cb 0.88 0.97 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1wyl h ALA 70 CO 0.08 -0.60 0.06 -0.07 0.00 0.00 0.00 179.25 178.73 1wyl h LEU 71 N -0.01 0.00 0.00 0.00 3.38 -1.13 0.44 115.31 117.99 1wyl h LEU 71 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1wyl h LEU 71 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1wyl h LEU 71 CO -0.97 0.00 0.00 1.17 0.09 0.00 0.00 178.44 178.73 1wyl n LYS 72 N -4.49 0.00 -0.28 1.13 4.81 0.52 -1.65 118.16 118.20 1wyl n LYS 72 Ca -0.01 0.50 0.33 0.00 -0.87 0.00 0.00 58.31 58.26 1wyl n LYS 72 Cb 0.18 -1.08 0.74 0.00 0.02 0.00 0.00 35.03 34.89 1wyl n LYS 72 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1wyl h VAL 73 N 0.00 0.45 0.10 3.15 2.07 -0.71 0.47 116.25 121.77 1wyl h VAL 73 Ca 0.00 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.24 1wyl h VAL 73 Cb 0.00 0.45 0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1wyl h VAL 73 CO 0.00 0.00 -1.18 0.00 0.02 0.00 0.00 177.57 176.41 1wyl h ALA 74 N 1.45 0.10 0.00 1.67 0.00 -1.01 0.63 119.26 122.09 1wyl h ALA 74 Ca 0.52 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1wyl h ALA 74 Cb 2.10 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1wyl h ALA 74 CO -0.01 0.78 -0.05 -1.91 0.00 0.00 0.00 179.25 178.07 1wyl n GLU 75 N -3.72 0.06 -0.04 0.00 0.00 0.13 0.20 120.64 117.27 1wyl n GLU 75 Ca -0.11 0.04 -0.04 0.00 0.00 0.00 0.00 57.16 57.05 1wyl n GLU 75 Cb 0.96 -1.57 -0.01 0.00 0.00 0.00 0.00 31.44 30.82 1wyl n GLU 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wyl n ASN 76 N -1.67 1.05 0.06 4.31 3.02 0.84 -4.16 115.26 118.72 1wyl n ASN 76 Ca 0.07 0.17 -0.03 0.00 -0.03 0.00 0.00 54.58 54.76 1wyl n ASN 76 Cb 0.36 -0.57 -0.01 0.00 -0.61 0.00 0.00 39.78 38.95 1wyl n ASN 76 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1wyl h GLU 77 N -0.48 -0.19 -0.29 3.52 4.39 -1.05 -3.33 114.58 117.16 1wyl h GLU 77 Ca 0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1wyl h GLU 77 Cb 0.48 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1wyl h GLU 77 CO 0.00 -0.12 0.10 -0.07 -1.16 0.00 0.00 179.01 177.76 1wyl h LEU 78 N -0.45 0.37 0.00 1.33 3.38 -1.41 -3.46 115.31 115.07 1wyl h LEU 78 Ca -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wyl h LEU 78 Cb 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1wyl h LEU 78 CO 0.03 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.52 1wyl n GLY 79 N -1.24 0.49 3.51 0.83 0.00 0.55 -4.96 105.19 104.38 1wyl n GLY 79 Ca 0.01 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1wyl n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wyl s ILE 80 N -2.00 4.03 0.24 -0.61 -1.09 0.20 -4.84 121.20 117.12 1wyl s ILE 80 Ca 0.00 -0.21 -0.31 0.00 -2.23 0.00 0.00 60.65 57.90 1wyl s ILE 80 Cb 0.00 -4.86 -0.14 0.00 -1.58 0.00 0.00 42.46 35.87 1wyl s ILE 80 CO 0.00 -1.73 1.17 0.41 -1.23 0.00 0.00 174.94 173.56 1wyl n THR 81 N 6.26 1.34 -2.04 2.92 -1.04 -1.26 -3.64 114.28 116.81 1wyl n THR 81 Ca 0.08 -0.33 -0.32 0.00 -2.04 0.00 0.00 64.05 61.44 1wyl n THR 81 Cb 0.48 -1.07 -0.04 0.00 -1.82 0.00 0.00 70.33 67.88 1wyl n THR 81 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1wyl s PRO 82 N -0.86 2.59 0.39 -2.82 0.04 -1.26 -4.80 135.00 128.27 1wyl s PRO 82 Ca 0.66 0.12 0.19 0.00 0.04 0.00 0.00 61.00 62.01 1wyl s PRO 82 Cb -0.74 -4.76 0.78 0.00 0.04 0.00 0.00 34.50 29.82 1wyl s PRO 82 CO 0.55 -3.09 1.79 -0.24 0.04 0.00 0.00 177.00 176.05 1wyl h VAL 83 N 7.09 0.92 -3.96 -0.36 3.04 -1.94 -3.44 116.25 117.61 1wyl h VAL 83 Ca -0.07 -1.36 -0.69 0.00 -1.01 0.00 0.00 66.70 63.58 1wyl h VAL 83 Cb 1.08 1.82 -0.22 0.00 -2.01 0.00 0.00 31.29 31.95 1wyl h VAL 83 CO 1.21 0.34 -0.83 -0.69 -1.01 0.00 0.00 177.57 176.59 1wyl s VAL 84 N -3.78 2.55 -0.10 1.51 1.01 -1.26 -5.01 120.40 115.33 1wyl s VAL 84 Ca -0.01 -1.45 -0.28 0.00 0.00 0.00 0.00 61.98 60.25 1wyl s VAL 84 Cb 0.12 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1wyl s VAL 84 CO 0.68 0.22 0.91 -0.44 0.00 0.00 0.00 175.10 176.47 1wyl s SER 85 N -1.73 7.16 0.34 3.32 0.01 -1.26 -4.90 113.70 116.63 1wyl s SER 85 Ca 0.15 1.41 0.25 0.00 1.31 0.00 0.00 55.95 59.07 1wyl s SER 85 Cb -0.10 -2.51 1.14 0.00 0.21 0.00 0.00 66.02 64.75 1wyl s SER 85 CO 0.06 -0.35 1.18 0.00 0.41 0.00 0.00 173.24 174.54 1wyl n ALA 86 N 4.68 1.05 0.08 1.44 0.00 -1.26 0.16 120.51 126.66 1wyl n ALA 86 Ca 0.06 0.65 -0.13 0.00 0.00 0.00 0.00 53.44 54.01 1wyl n ALA 86 Cb 0.50 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 1wyl n ALA 86 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wyl h GLN 87 N 0.00 -0.18 -0.80 0.00 4.15 -1.96 -2.76 115.11 113.57 1wyl h GLN 87 Ca 0.67 0.01 0.06 0.00 0.77 0.00 0.00 58.65 60.16 1wyl h GLN 87 Cb 2.18 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 29.85 1wyl h GLN 87 CO -0.33 0.11 0.48 0.00 -1.93 0.00 0.00 178.83 177.16 1wyl h ALA 88 N 0.33 1.08 0.37 3.38 0.00 0.12 -0.99 119.26 123.56 1wyl h ALA 88 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wyl h ALA 88 Cb 0.38 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1wyl h ALA 88 CO 0.03 0.21 -0.49 0.28 0.00 0.00 0.00 179.25 179.28 1wyl h VAL 89 N 0.89 0.05 0.38 0.00 2.07 -1.30 0.98 116.25 119.32 1wyl h VAL 89 Ca 0.35 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.85 1wyl h VAL 89 Cb 0.16 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1wyl h VAL 89 CO -0.17 0.00 -0.20 0.58 0.02 0.00 0.00 177.57 177.80 1wyl h VAL 90 N -0.90 0.00 0.00 2.57 2.07 -1.29 -2.20 116.25 116.50 1wyl h VAL 90 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1wyl h VAL 90 Cb 0.82 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1wyl h VAL 90 CO -0.13 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.10 1wyl h ALA 91 N -1.70 1.64 -1.80 1.67 0.00 -1.21 -3.44 119.26 114.42 1wyl h ALA 91 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.46 1wyl h ALA 91 Cb 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.09 1wyl h ALA 91 CO 0.07 -0.64 -0.41 0.41 0.00 0.00 0.00 179.25 178.68 1wyl n GLY 92 N -1.35 1.03 0.22 0.00 0.00 0.33 -4.86 105.19 100.56 1wyl n GLY 92 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1wyl n GLY 92 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wyl h SER 93 N 0.00 0.84 -3.91 1.61 4.64 -1.81 -3.37 113.55 111.55 1wyl h SER 93 Ca -0.42 -0.53 -0.72 0.00 -0.47 0.00 0.00 61.79 59.64 1wyl h SER 93 Cb 1.30 -0.24 -0.33 0.00 -0.31 0.00 0.00 62.40 62.82 1wyl h SER 93 CO 0.57 1.21 -0.16 -1.81 -0.87 0.00 0.00 176.83 175.77 1wyl s ASP 94 N -6.76 5.83 0.39 4.97 1.01 -1.26 -4.90 116.67 115.95 1wyl s ASP 94 Ca -0.12 -3.04 0.18 0.00 0.71 0.00 0.00 52.55 50.29 1wyl s ASP 94 Cb 0.09 -1.96 0.79 0.00 1.01 0.00 0.00 42.92 42.85 1wyl s ASP 94 CO 0.86 -0.37 1.80 1.55 0.21 0.00 0.00 175.17 179.22 1wyl h PRO 95 N 6.97 0.00 -0.12 8.23 0.13 -1.91 -3.17 132.00 142.13 1wyl h PRO 95 Ca 0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1wyl h PRO 95 Cb 0.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1wyl h PRO 95 CO 0.76 0.35 0.02 -0.07 -0.23 0.00 0.00 178.00 178.83 1wyl h LEU 96 N 0.00 0.19 0.13 1.56 4.07 -1.93 -3.09 115.31 116.23 1wyl h LEU 96 Ca -0.00 -0.26 0.01 0.00 0.08 0.00 0.00 57.88 57.70 1wyl h LEU 96 Cb 0.76 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.42 1wyl h LEU 96 CO 0.05 0.41 -0.42 1.23 -1.08 0.00 0.00 178.44 178.63 1wyl h GLY 97 N -0.03 -1.18 -0.87 0.83 0.00 -1.95 -2.38 103.07 97.50 1wyl h GLY 97 Ca 0.04 0.61 0.12 0.00 0.00 0.00 0.00 47.33 48.10 1wyl h GLY 97 CO 0.00 -0.31 -0.47 -2.00 0.00 0.00 0.00 176.54 173.76 1wyl h LEU 98 N -0.62 -1.70 -0.75 3.11 5.85 -1.63 0.42 115.31 119.99 1wyl h LEU 98 Ca -0.01 0.30 0.17 0.00 0.84 0.00 0.00 57.88 59.18 1wyl h LEU 98 Cb 0.61 0.81 -0.13 0.00 0.37 0.00 0.00 40.66 42.32 1wyl h LEU 98 CO -0.21 -0.28 0.03 0.40 -0.34 0.00 0.00 178.44 178.04 1wyl h ILE 99 N -0.06 0.36 -0.33 4.05 2.04 -1.41 0.43 117.51 122.59 1wyl h ILE 99 Ca 0.24 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.99 1wyl h ILE 99 Cb 0.53 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1wyl h ILE 99 CO -0.90 0.02 -0.05 0.00 0.00 0.00 0.00 178.15 177.22 1wyl h ALA 100 N 1.70 0.46 -0.32 1.87 0.00 0.15 -2.28 119.26 120.83 1wyl h ALA 100 Ca 0.42 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1wyl h ALA 100 Cb 0.74 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1wyl h ALA 100 CO -0.65 0.27 -0.11 -0.92 0.00 0.00 0.00 179.25 177.84 1wyl h TYR 101 N 0.41 -0.26 -0.31 0.00 3.20 0.15 -2.18 116.97 117.98 1wyl h TYR 101 Ca 0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1wyl h TYR 101 Cb 0.53 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1wyl h TYR 101 CO 0.05 -0.18 0.17 -0.07 -1.64 0.00 0.00 178.16 176.48 1wyl h LEU 102 N -0.05 0.40 -1.40 2.82 3.38 -1.10 -2.60 115.31 116.76 1wyl h LEU 102 Ca 0.16 -0.10 0.48 0.00 0.09 0.00 0.00 57.88 58.51 1wyl h LEU 102 Cb 0.29 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 40.80 1wyl h LEU 102 CO -0.36 0.38 0.89 -1.28 0.09 0.00 0.00 178.44 178.17 1wyl h SER 103 N 0.38 0.20 -0.12 -0.43 0.87 -0.78 0.87 113.55 114.54 1wyl h SER 103 Ca 0.11 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1wyl h SER 103 Cb 0.08 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1wyl h SER 103 CO -0.02 -0.25 0.05 0.45 -0.53 0.00 0.00 176.83 176.53 1wyl h HIS 104 N 0.01 0.19 0.03 2.24 3.86 -1.35 -0.46 115.15 119.66 1wyl h HIS 104 Ca 0.88 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 60.11 1wyl h HIS 104 Cb 2.84 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 31.20 1wyl h HIS 104 CO -0.01 0.27 -0.37 0.74 0.86 0.00 0.00 177.93 179.42 1wyl h PHE 105 N 0.05 -1.03 0.62 2.45 -1.00 0.68 -1.75 116.94 116.97 1wyl h PHE 105 Ca 0.04 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.82 1wyl h PHE 105 Cb 0.16 0.45 0.01 0.00 3.61 0.00 0.00 35.95 40.17 1wyl h PHE 105 CO -0.02 -0.46 -0.31 1.25 -1.61 0.00 0.00 178.31 177.16 1wyl h HIS 106 N -0.54 -0.80 -1.61 -0.55 2.76 -1.47 0.39 115.15 113.32 1wyl h HIS 106 Ca 0.05 -0.02 0.49 0.00 -2.20 0.00 0.00 60.37 58.69 1wyl h HIS 106 Cb 0.61 0.27 -0.09 0.00 1.55 0.00 0.00 27.41 29.75 1wyl h HIS 106 CO -0.37 -0.49 1.12 0.45 -1.30 0.00 0.00 177.93 177.34 1wyl n SER 107 N -4.31 0.07 0.01 3.26 2.88 -0.19 0.21 113.62 115.55 1wyl n SER 107 Ca -0.11 1.02 -0.17 0.00 -1.33 0.00 0.00 58.87 58.28 1wyl n SER 107 Cb 0.34 -0.51 -0.14 0.00 -0.75 0.00 0.00 64.21 63.15 1wyl n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wyl h ALA 108 N 1.09 0.51 -0.86 -1.46 0.00 -0.86 -3.38 119.26 114.29 1wyl h ALA 108 Ca 0.83 -1.38 -0.61 0.00 0.00 0.00 0.00 54.91 53.75 1wyl h ALA 108 Cb 3.13 0.60 -0.37 0.00 0.00 0.00 0.00 17.79 21.16 1wyl h ALA 108 CO -0.15 1.37 -0.06 1.19 0.00 0.00 0.00 179.25 181.60 1wyl n PHE 109 N -3.36 2.96 0.06 0.00 3.72 0.58 -4.45 117.46 116.97 1wyl n PHE 109 Ca -0.26 -2.59 0.02 0.00 -0.05 0.00 0.00 57.45 54.58 1wyl n PHE 109 Cb 1.05 -0.84 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 1wyl n PHE 109 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1wyl n LYS 110 N -0.81 1.50 -4.79 -1.08 2.85 0.44 -4.81 118.16 111.47 1wyl n LYS 110 Ca 0.52 -0.03 -0.33 0.00 -1.05 0.00 0.00 58.31 57.42 1wyl n LYS 110 Cb 0.83 -1.02 -0.12 0.00 -0.65 0.00 0.00 35.03 34.07 1wyl n LYS 110 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1wyl s SER 111 N -2.29 4.21 0.00 -5.58 0.15 -1.26 -5.06 113.70 103.87 1wyl s SER 111 Ca -0.01 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1wyl s SER 111 Cb 0.03 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 1wyl s SER 111 CO 0.21 0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.60 1wyl n GLY 112 N 2.22 5.36 3.68 9.45 0.00 -1.26 -5.07 105.19 119.57 1wyl n GLY 112 Ca -0.17 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1wyl n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wyl s PRO 113 N 1.19 4.25 0.14 1.61 0.04 -1.26 -5.01 135.00 135.95 1wyl s PRO 113 Ca 0.00 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.06 1wyl s PRO 113 Cb 0.00 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1wyl s PRO 113 CO 0.00 -0.64 0.04 -1.54 0.04 0.00 0.00 177.00 174.90 1wyl s SER 114 N 2.14 0.53 -0.00 6.66 1.04 -1.26 -5.17 113.70 117.63 1wyl s SER 114 Ca 0.66 -1.19 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 1wyl s SER 114 Cb -0.32 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1wyl s SER 114 CO 0.27 -0.68 0.33 -0.55 0.98 0.00 0.00 173.24 173.59 1wyl s SER 115 N -3.07 -0.21 0.00 7.02 0.15 -1.26 -5.34 113.70 110.99 1wyl s SER 115 Ca 0.23 0.07 0.31 0.00 0.70 0.00 0.00 55.95 57.26 1wyl s SER 115 Cb 0.07 0.34 1.77 0.00 -1.71 0.00 0.00 66.02 66.49 1wyl s SER 115 CO 0.02 -0.50 2.15 0.61 1.20 0.00 0.00 173.24 176.72