#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 6.87 -0.04 1.61 0.15 -1.26 -4.96 113.70 116.07 1wyl s SER 2 Ca 0.00 1.07 -0.24 0.00 0.70 0.00 0.00 55.95 57.48 1wyl s SER 2 Cb 0.00 -2.43 -0.18 0.00 -1.71 0.00 0.00 66.02 61.70 1wyl s SER 2 CO 0.00 -0.39 1.05 0.77 1.20 0.00 0.00 173.24 175.88 1wyl h SER 3 N 7.42 -0.13 0.00 5.45 4.64 -2.09 -3.49 113.55 125.35 1wyl h SER 3 Ca -0.29 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 1wyl h SER 3 Cb 1.13 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1wyl h SER 3 CO 0.83 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 177.79 1wyl n GLY 4 N 0.40 -1.34 2.72 -0.77 0.00 -1.26 -5.12 105.19 99.82 1wyl n GLY 4 Ca -0.08 0.49 -0.18 0.00 0.00 0.00 0.00 46.02 46.25 1wyl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wyl s SER 5 N -1.80 0.70 -0.15 1.61 1.04 -1.26 -4.77 113.70 109.07 1wyl s SER 5 Ca 0.00 0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.23 1wyl s SER 5 Cb 0.00 -0.12 -0.23 0.00 0.10 0.00 0.00 66.02 65.77 1wyl s SER 5 CO 0.00 -0.20 0.62 -1.28 0.98 0.00 0.00 173.24 173.36 1wyl h SER 6 N 7.94 0.00 0.00 7.02 0.87 -1.99 -3.50 113.55 123.89 1wyl h SER 6 Ca -0.27 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.45 1wyl h SER 6 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1wyl h SER 6 CO 0.30 1.05 0.00 0.61 -0.53 0.00 0.00 176.83 178.26 1wyl n GLY 7 N 1.59 0.84 3.36 5.77 0.00 -1.26 -5.15 105.19 110.35 1wyl n GLY 7 Ca -0.13 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.97 0.00 0.52 2.61 -1.32 -1.26 -5.01 115.64 109.21 1wyl s THR 8 Ca 0.00 -1.78 0.36 0.00 -1.21 0.00 0.00 61.69 59.06 1wyl s THR 8 Cb 0.00 -2.47 0.36 0.00 -1.51 0.00 0.00 72.50 68.88 1wyl s THR 8 CO 0.00 0.00 2.10 1.56 -2.21 0.00 0.00 174.62 176.07 1wyl h GLN 9 N 2.33 0.00 -0.93 7.08 7.50 -2.01 -1.69 115.11 127.39 1wyl h GLN 9 Ca -0.30 0.00 0.10 0.00 0.50 0.00 0.00 58.65 58.95 1wyl h GLN 9 Cb 1.24 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 28.70 1wyl h GLN 9 CO 0.43 0.00 0.60 1.49 -1.50 0.00 0.00 178.83 179.85 1wyl h GLU 10 N 0.00 0.91 -0.41 1.46 4.57 -1.99 0.22 114.58 119.35 1wyl h GLU 10 Ca 0.00 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1wyl h GLU 10 Cb 0.22 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1wyl h GLU 10 CO 0.00 0.60 0.03 1.49 -1.18 0.00 0.00 179.01 179.95 1wyl h GLU 11 N 0.94 0.63 0.05 1.92 4.81 -1.70 -2.18 114.58 119.05 1wyl h GLU 11 Ca 0.44 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1wyl h GLU 11 Cb 0.41 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1wyl h GLU 11 CO -0.20 0.63 -0.02 1.25 -0.73 0.00 0.00 179.01 179.94 1wyl h LEU 12 N 0.61 -0.06 -0.61 1.64 5.85 -1.24 -3.10 115.31 118.40 1wyl h LEU 12 Ca 0.13 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.73 1wyl h LEU 12 Cb 0.33 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.27 1wyl h LEU 12 CO 0.01 0.53 -0.44 0.25 -0.34 0.00 0.00 178.44 178.45 1wyl h LEU 13 N -1.00 -1.51 -0.40 2.25 5.85 -0.69 0.68 115.31 120.50 1wyl h LEU 13 Ca -0.01 0.25 0.08 0.00 0.84 0.00 0.00 57.88 59.04 1wyl h LEU 13 Cb 0.26 0.69 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 1wyl h LEU 13 CO 0.01 -0.33 -0.10 0.03 -0.34 0.00 0.00 178.44 177.71 1wyl h ARG 14 N -0.21 -0.01 -0.30 1.25 3.08 -1.55 0.12 114.38 116.76 1wyl h ARG 14 Ca 0.19 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.30 1wyl h ARG 14 Cb 0.56 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 1wyl h ARG 14 CO -0.71 -0.00 -0.05 2.35 -1.07 0.00 0.00 179.97 180.49 1wyl h TRP 15 N -0.01 -0.11 -0.27 3.04 7.01 -0.95 -2.14 115.95 122.52 1wyl h TRP 15 Ca 0.19 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 1wyl h TRP 15 Cb 0.30 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 1wyl h TRP 15 CO -0.36 -0.10 0.17 0.00 -2.79 0.00 0.00 178.44 175.36 1wyl h GLN 17 N 0.35 0.58 -0.48 0.00 4.20 -0.25 0.33 115.11 119.85 1wyl h GLN 17 Ca 0.10 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 1wyl h GLN 17 Cb -0.00 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1wyl h GLN 17 CO -0.02 0.39 -0.12 0.93 -0.67 0.00 0.00 178.83 179.34 1wyl h GLU 18 N 0.60 0.92 0.55 1.46 5.08 -0.97 0.13 114.58 122.36 1wyl h GLU 18 Ca 0.58 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1wyl h GLU 18 Cb 1.01 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1wyl h GLU 18 CO -0.44 1.01 -0.27 1.96 -1.00 0.00 0.00 179.01 180.27 1wyl h GLN 19 N 0.77 -0.72 0.00 2.33 1.08 -0.42 -3.17 115.11 114.98 1wyl h GLN 19 Ca 0.12 0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1wyl h GLN 19 Cb 0.67 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1wyl h GLN 19 CO 0.05 -0.48 -0.03 1.79 -0.95 0.00 0.00 178.83 179.21 1wyl h THR 20 N -1.14 0.39 -0.28 -0.54 1.35 -0.55 -2.51 112.91 109.62 1wyl h THR 20 Ca -0.08 -0.15 0.08 0.00 -0.55 0.00 0.00 66.41 65.71 1wyl h THR 20 Cb 0.57 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1wyl h THR 20 CO 0.12 0.03 0.74 0.00 -0.25 0.00 0.00 175.52 176.16 1wyl h ALA 21 N 1.97 2.01 -0.65 6.62 0.00 -0.71 -1.15 119.26 127.34 1wyl h ALA 21 Ca -0.00 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 1wyl h ALA 21 Cb 0.10 0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.71 1wyl h ALA 21 CO 0.00 -0.88 0.56 0.41 0.00 0.00 0.00 179.25 179.35 1wyl n GLY 22 N -1.45 4.65 3.43 0.00 0.00 -0.95 -4.84 105.19 106.02 1wyl n GLY 22 Ca 0.05 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 1wyl n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wyl s TYR 23 N -2.32 -0.88 -0.35 1.61 6.14 -0.44 -5.00 117.35 116.11 1wyl s TYR 23 Ca 0.57 1.72 -0.28 0.00 0.64 0.00 0.00 57.07 59.72 1wyl s TYR 23 Cb 0.40 0.45 -0.01 0.00 0.42 0.00 0.00 41.96 43.22 1wyl s TYR 23 CO -0.26 -0.47 1.70 -1.25 0.64 0.00 0.00 175.55 175.90 1wyl s PRO 24 N 1.94 3.41 0.00 4.97 0.04 -1.26 -2.79 135.00 141.31 1wyl s PRO 24 Ca -0.07 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1wyl s PRO 24 Cb -0.09 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1wyl s PRO 24 CO -0.16 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.53 1wyl n GLY 25 N 5.33 2.22 3.60 0.56 0.00 -1.26 -5.05 105.19 110.59 1wyl n GLY 25 Ca 0.21 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.98 3.81 -0.56 1.61 1.01 -1.12 -4.93 120.40 119.23 1wyl s VAL 26 Ca 0.00 0.82 0.05 0.00 0.00 0.00 0.00 61.98 62.85 1wyl s VAL 26 Cb 0.00 -4.08 0.18 0.00 0.00 0.00 0.00 36.38 32.48 1wyl s VAL 26 CO 0.00 -0.68 0.45 1.57 0.00 0.00 0.00 175.10 176.44 1wyl n HIS 27 N 9.13 1.36 -1.48 5.22 -0.00 -1.26 -4.71 115.22 123.48 1wyl n HIS 27 Ca 0.18 -3.85 -0.12 0.00 0.46 0.00 0.00 57.72 54.39 1wyl n HIS 27 Cb 0.48 -0.24 -0.10 0.00 -0.12 0.00 0.00 29.99 30.01 1wyl n HIS 27 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1wyl n VAL 28 N 2.21 0.00 0.21 3.57 0.31 -1.26 -4.62 118.33 118.75 1wyl n VAL 28 Ca 0.25 -0.12 0.10 0.00 -0.01 0.00 0.00 64.34 64.56 1wyl n VAL 28 Cb 0.42 -1.65 0.30 0.00 -0.91 0.00 0.00 33.84 31.99 1wyl n VAL 28 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1wyl h SER 29 N 11.31 0.00 -5.73 4.52 4.64 -1.96 -3.47 113.55 122.87 1wyl h SER 29 Ca 0.00 0.00 0.32 0.00 -0.47 0.00 0.00 61.79 61.64 1wyl h SER 29 Cb 1.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.97 1wyl h SER 29 CO 1.01 0.20 0.81 -0.62 -0.87 0.00 0.00 176.83 177.36 1wyl s ASP 30 N -6.19 -0.06 -0.47 4.97 2.15 -1.26 -5.02 116.67 110.78 1wyl s ASP 30 Ca 0.03 -0.14 -0.00 0.00 0.43 0.00 0.00 52.55 52.87 1wyl s ASP 30 Cb 0.08 0.18 0.41 0.00 -0.30 0.00 0.00 42.92 43.28 1wyl s ASP 30 CO 0.66 -0.32 1.94 0.18 -0.17 0.00 0.00 175.17 177.45 1wyl n LEU 31 N -0.48 6.83 0.00 -1.34 4.32 -1.26 -3.75 117.00 121.31 1wyl n LEU 31 Ca -0.08 -3.67 0.00 0.00 -0.02 0.00 0.00 56.01 52.24 1wyl n LEU 31 Cb 0.63 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 1wyl n LEU 31 CO 0.12 1.24 0.00 -1.54 -1.22 0.00 0.00 177.39 175.99 1wyl n SER 32 N -0.53 0.00 -0.01 -1.43 3.41 -1.26 -4.88 113.62 108.93 1wyl n SER 32 Ca 0.49 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 59.12 1wyl n SER 32 Cb 0.87 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.57 1wyl n SER 32 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wyl n SER 33 N -2.24 3.53 -0.02 4.04 7.64 -1.26 -4.43 113.62 120.87 1wyl n SER 33 Ca 0.00 0.00 0.24 0.00 1.01 0.00 0.00 58.87 60.12 1wyl n SER 33 Cb 0.00 1.17 0.72 0.00 -1.01 0.00 0.00 64.21 65.09 1wyl n SER 33 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wyl h SER 34 N 0.00 0.00 -0.00 6.43 0.87 -1.92 0.71 113.55 119.63 1wyl h SER 34 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1wyl h SER 34 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1wyl h SER 34 CO 0.00 0.00 -0.78 0.79 -0.53 0.00 0.00 176.83 176.31 1wyl n TRP 35 N -3.91 0.00 -0.76 2.24 7.02 -1.26 -4.46 117.44 116.31 1wyl n TRP 35 Ca 0.12 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.51 1wyl n TRP 35 Cb 0.79 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.67 1wyl n TRP 35 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wyl n ALA 36 N -1.04 4.82 0.00 6.99 0.00 0.25 -3.47 120.51 128.06 1wyl n ALA 36 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1wyl n ALA 36 Cb 0.35 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1wyl n ALA 36 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wyl n ASP 37 N 1.18 2.09 0.00 0.00 2.03 -1.26 -4.66 116.55 115.93 1wyl n ASP 37 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1wyl n ASP 37 Cb 0.58 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 41.15 1wyl n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wyl n GLY 38 N 1.77 2.76 0.31 0.27 0.00 -1.23 -4.25 105.19 104.82 1wyl n GLY 38 Ca 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.90 -0.71 0.99 3.38 -1.90 -0.66 115.31 115.51 1wyl h LEU 39 Ca 0.00 0.23 0.12 0.00 0.09 0.00 0.00 57.88 58.32 1wyl h LEU 39 Cb 0.00 0.52 -0.12 0.00 0.09 0.00 0.00 40.66 41.15 1wyl h LEU 39 CO 0.00 -0.27 -0.25 0.00 0.09 0.00 0.00 178.44 178.01 1wyl n ALA 40 N -3.21 -0.02 -0.15 1.53 0.00 -1.26 0.19 120.51 117.59 1wyl n ALA 40 Ca 0.08 0.73 -0.12 0.00 0.00 0.00 0.00 53.44 54.13 1wyl n ALA 40 Cb 0.37 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 1.03 0.21 0.00 3.38 -1.44 -2.98 115.31 115.51 1wyl h LEU 41 Ca 0.27 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1wyl h LEU 41 Cb 0.45 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1wyl h LEU 41 CO -0.71 1.22 -0.31 0.00 0.09 0.00 0.00 178.44 178.73 1wyl h ALA 43 N 0.03 -0.17 -0.38 0.00 0.00 -0.78 0.32 119.26 118.27 1wyl h ALA 43 Ca 0.01 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1wyl h ALA 43 Cb 0.57 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1wyl h ALA 43 CO -0.12 -0.69 -0.05 1.25 0.00 0.00 0.00 179.25 179.64 1wyl h LEU 44 N -0.27 -0.27 0.33 0.00 5.85 -1.34 0.61 115.31 120.22 1wyl h LEU 44 Ca 0.13 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1wyl h LEU 44 Cb 0.48 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1wyl h LEU 44 CO -0.39 -0.09 -0.16 0.58 -0.34 0.00 0.00 178.44 178.04 1wyl h VAL 45 N 0.04 0.00 -0.85 1.05 2.07 -0.40 -1.63 116.25 116.54 1wyl h VAL 45 Ca 0.19 -0.06 0.13 0.00 0.82 0.00 0.00 66.70 67.77 1wyl h VAL 45 Cb 0.28 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.91 1wyl h VAL 45 CO -0.36 0.00 -0.41 1.88 0.02 0.00 0.00 177.57 178.70 1wyl h TYR 46 N -0.51 -1.20 0.18 1.57 0.05 -0.33 -0.88 116.97 115.85 1wyl h TYR 46 Ca -0.05 0.10 0.01 0.00 0.05 0.00 0.00 58.73 58.84 1wyl h TYR 46 Cb 0.34 0.64 -0.04 0.00 1.01 0.00 0.00 36.73 38.68 1wyl h TYR 46 CO 0.12 -0.40 -0.49 -0.09 -1.05 0.00 0.00 178.16 176.24 1wyl h ARG 47 N -0.07 -0.74 -0.95 4.88 9.65 -0.92 -1.42 114.38 124.81 1wyl h ARG 47 Ca 0.27 0.05 0.38 0.00 -1.10 0.00 0.00 59.98 59.58 1wyl h ARG 47 Cb 0.56 0.17 -0.17 0.00 -1.39 0.00 0.00 29.97 29.14 1wyl h ARG 47 CO -0.87 -0.49 0.44 1.28 2.80 0.00 0.00 179.97 183.12 1wyl n LEU 48 N -5.49 0.27 -3.82 3.80 4.77 -0.38 -3.29 117.00 112.84 1wyl n LEU 48 Ca -0.09 1.59 -0.30 0.00 -0.03 0.00 0.00 56.01 57.18 1wyl n LEU 48 Cb 0.41 -0.74 -0.15 0.00 -2.33 0.00 0.00 43.42 40.61 1wyl n LEU 48 CO 0.18 -1.75 -0.33 -1.10 -1.33 0.00 0.00 177.39 173.06 1wyl s GLN 49 N -5.53 0.96 0.38 3.23 -0.21 -0.54 -4.97 119.66 112.98 1wyl s GLN 49 Ca -0.09 -1.31 0.28 0.00 0.02 0.00 0.00 55.36 54.26 1wyl s GLN 49 Cb 0.32 -2.37 1.15 0.00 1.00 0.00 0.00 33.01 33.11 1wyl s GLN 49 CO 0.74 -0.96 1.82 -1.00 -2.12 0.00 0.00 175.29 173.78 1wyl h PRO 50 N 7.94 0.00 -0.14 2.91 0.13 -1.53 -3.13 132.00 138.18 1wyl h PRO 50 Ca -0.11 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.93 1wyl h PRO 50 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1wyl h PRO 50 CO 0.48 0.00 -0.27 0.78 -0.23 0.00 0.00 178.00 178.76 1wyl h GLY 51 N 2.12 0.48 -2.17 1.56 0.00 -1.92 -3.46 103.07 99.68 1wyl h GLY 51 Ca 0.00 -0.56 -0.54 0.00 0.00 0.00 0.00 47.33 46.22 1wyl h GLY 51 CO 0.00 0.50 -0.43 1.04 0.00 0.00 0.00 176.54 177.65 1wyl n LEU 52 N -4.42 0.57 -4.01 3.11 4.77 -1.18 -4.94 117.00 110.89 1wyl n LEU 52 Ca -0.07 0.45 -0.17 0.00 -0.03 0.00 0.00 56.01 56.19 1wyl n LEU 52 Cb 0.46 -1.23 0.16 0.00 -2.33 0.00 0.00 43.42 40.47 1wyl n LEU 52 CO 0.42 -3.27 0.14 0.00 -1.33 0.00 0.00 177.39 173.35 1wyl n LEU 53 N -1.05 -1.13 -4.62 2.23 -0.00 -1.26 -5.02 117.00 106.15 1wyl n LEU 53 Ca 0.09 -0.46 -0.23 0.00 -0.00 0.00 0.00 56.01 55.40 1wyl n LEU 53 Cb 0.52 -0.78 -0.08 0.00 -0.00 0.00 0.00 43.42 43.08 1wyl n LEU 53 CO 0.50 -3.41 -0.35 -1.61 -0.00 0.00 0.00 177.39 172.52 1wyl s GLU 54 N -3.64 2.20 0.00 1.47 2.02 -1.26 -4.97 118.70 114.52 1wyl s GLU 54 Ca 0.37 -1.46 0.03 0.00 0.02 0.00 0.00 54.97 53.93 1wyl s GLU 54 Cb -0.07 -2.11 0.16 0.00 0.10 0.00 0.00 34.13 32.21 1wyl s GLU 54 CO 0.32 0.36 0.63 -0.35 0.02 0.00 0.00 175.26 176.25 1wyl n PRO 55 N -0.80 0.49 -0.27 0.39 -0.04 -1.26 -4.17 135.00 129.34 1wyl n PRO 55 Ca -0.06 0.00 0.23 0.00 -0.04 0.00 0.00 63.50 63.63 1wyl n PRO 55 Cb 0.59 -1.08 0.40 0.00 -0.04 0.00 0.00 33.50 33.36 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 -0.58 0.14 0.00 3.54 7.64 -1.26 0.25 113.62 123.34 1wyl n SER 56 Ca 0.02 0.86 -0.22 0.00 1.01 0.00 0.00 58.87 60.54 1wyl n SER 56 Cb 0.01 -0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 62.65 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 0.25 -0.09 1.43 3.07 -2.00 -3.34 114.58 113.90 1wyl h GLU 57 Ca 0.52 -0.42 0.03 0.00 -0.50 0.00 0.00 59.36 58.99 1wyl h GLU 57 Cb 1.64 0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 29.70 1wyl h GLU 57 CO -0.31 1.20 0.31 -0.07 -1.40 0.00 0.00 179.01 178.74 1wyl h LEU 58 N -0.09 0.00 -1.06 1.33 4.07 0.29 -0.64 115.31 119.21 1wyl h LEU 58 Ca -0.40 0.00 0.09 0.00 0.08 0.00 0.00 57.88 57.65 1wyl h LEU 58 Cb 1.93 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 43.60 1wyl h LEU 58 CO 0.06 0.00 0.62 1.56 -1.08 0.00 0.00 178.44 179.60 1wyl h GLN 59 N 0.00 1.02 -1.29 1.13 4.20 -1.17 -2.53 115.11 116.47 1wyl h GLN 59 Ca 0.04 -0.06 -0.63 0.00 0.06 0.00 0.00 58.65 58.06 1wyl h GLN 59 Cb 0.66 -0.23 -0.37 0.00 0.30 0.00 0.00 27.48 27.84 1wyl h GLN 59 CO -0.00 0.68 -0.11 0.41 -0.67 0.00 0.00 178.83 179.14 1wyl n GLY 60 N -1.37 6.01 3.83 3.46 0.00 -0.25 -5.02 105.19 111.85 1wyl n GLY 60 Ca 0.16 -2.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.27 1wyl n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyl s LEU 61 N -3.72 2.37 0.39 0.99 1.43 -0.95 -5.11 118.68 114.08 1wyl s LEU 61 Ca 0.53 -1.55 -0.09 0.00 -1.03 0.00 0.00 54.13 51.99 1wyl s LEU 61 Cb 0.43 -0.86 -0.06 0.00 0.03 0.00 0.00 46.19 45.74 1wyl s LEU 61 CO -0.13 -0.99 0.73 -0.83 0.23 0.00 0.00 176.35 175.35 1wyl s GLY 62 N -4.04 1.87 0.34 -3.19 0.00 -1.26 -4.90 107.32 96.13 1wyl s GLY 62 Ca 0.13 -0.31 0.14 0.00 0.00 0.00 0.00 44.72 44.68 1wyl s GLY 62 CO 0.08 -0.13 1.67 0.00 0.00 0.00 0.00 173.10 174.71 1wyl h ALA 63 N 1.21 1.93 0.01 3.20 0.00 -1.98 -0.96 119.26 122.67 1wyl h ALA 63 Ca -0.47 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1wyl h ALA 63 Cb 1.19 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1wyl h ALA 63 CO 0.64 -0.54 -0.32 1.25 0.00 0.00 0.00 179.25 180.28 1wyl h LEU 64 N 0.35 0.04 -1.06 0.00 5.85 -1.93 -3.29 115.31 115.27 1wyl h LEU 64 Ca 0.72 -0.90 0.38 0.00 0.84 0.00 0.00 57.88 58.92 1wyl h LEU 64 Cb 1.62 -0.01 -0.16 0.00 0.37 0.00 0.00 40.66 42.48 1wyl h LEU 64 CO -0.59 1.13 0.60 -0.33 -0.34 0.00 0.00 178.44 178.91 1wyl h GLU 65 N -0.94 0.14 0.21 1.25 4.39 -1.59 0.26 114.58 118.30 1wyl h GLU 65 Ca -0.08 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1wyl h GLU 65 Cb 1.12 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1wyl h GLU 65 CO -0.03 0.09 -0.10 0.00 -1.16 0.00 0.00 179.01 177.81 1wyl h ALA 66 N 1.88 -0.29 -0.96 3.43 0.00 -1.37 -3.04 119.26 118.92 1wyl h ALA 66 Ca 0.80 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.73 1wyl h ALA 66 Cb 2.07 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.89 1wyl h ALA 66 CO -0.65 -0.51 0.61 1.15 0.00 0.00 0.00 179.25 179.84 1wyl h THR 67 N -0.58 0.71 -0.05 0.00 2.02 -0.59 -1.95 112.91 112.48 1wyl h THR 67 Ca -0.03 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1wyl h THR 67 Cb 0.42 0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 66.82 1wyl h THR 67 CO 0.05 0.11 -0.39 0.00 0.37 0.00 0.00 175.52 175.66 1wyl h ALA 68 N 1.62 -0.58 0.52 6.16 0.00 -1.16 -1.62 119.26 124.21 1wyl h ALA 68 Ca 0.52 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1wyl h ALA 68 Cb 0.99 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1wyl h ALA 68 CO -0.27 -0.91 -0.47 2.35 0.00 0.00 0.00 179.25 179.96 1wyl h TRP 69 N -0.51 -1.28 -0.94 0.00 7.01 -1.38 -1.59 115.95 117.24 1wyl h TRP 69 Ca 0.06 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.18 1wyl h TRP 69 Cb 0.62 0.49 -0.13 0.00 -2.10 0.00 0.00 29.16 28.04 1wyl h TRP 69 CO -0.42 -0.63 -0.48 0.00 -2.79 0.00 0.00 178.44 174.11 1wyl n ALA 70 N -2.75 -0.41 0.21 2.65 0.00 -1.08 0.22 120.51 119.34 1wyl n ALA 70 Ca -0.12 0.86 0.13 0.00 0.00 0.00 0.00 53.44 54.31 1wyl n ALA 70 Cb 0.43 -0.24 0.73 0.00 0.00 0.00 0.00 19.45 20.37 1wyl n ALA 70 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wyl h LEU 71 N 0.00 0.00 0.09 0.00 3.38 -1.14 0.53 115.31 118.18 1wyl h LEU 71 Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1wyl h LEU 71 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wyl h LEU 71 CO -0.91 0.00 -0.05 0.50 0.09 0.00 0.00 178.44 178.08 1wyl h LYS 72 N 0.00 -0.12 -0.50 1.13 3.64 0.37 -2.25 116.57 118.84 1wyl h LYS 72 Ca 0.06 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.60 1wyl h LYS 72 Cb 0.28 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1wyl h LYS 72 CO -0.00 -0.08 0.44 0.28 -2.27 0.00 0.00 179.45 177.82 1wyl h VAL 73 N -0.44 0.50 0.03 2.00 2.07 -0.39 0.35 116.25 120.37 1wyl h VAL 73 Ca -0.01 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.29 1wyl h VAL 73 Cb 0.10 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1wyl h VAL 73 CO 0.02 0.00 -0.97 0.00 0.02 0.00 0.00 177.57 176.64 1wyl h ALA 74 N 1.59 0.39 0.00 1.67 0.00 -0.98 -0.24 119.26 121.68 1wyl h ALA 74 Ca 0.24 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1wyl h ALA 74 Cb 1.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wyl h ALA 74 CO -0.00 0.93 -0.56 1.49 0.00 0.00 0.00 179.25 181.10 1wyl h GLU 75 N 0.12 0.00 0.00 0.00 4.22 0.03 1.23 114.58 120.18 1wyl h GLU 75 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1wyl h GLU 75 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1wyl h GLU 75 CO 0.15 0.00 -0.41 0.09 -2.18 0.00 0.00 179.01 176.67 1wyl n ASN 76 N -2.85 1.24 0.00 1.04 3.02 0.88 -3.68 115.26 114.90 1wyl n ASN 76 Ca 0.02 0.45 -0.00 0.00 -0.03 0.00 0.00 54.58 55.02 1wyl n ASN 76 Cb 0.54 -0.73 -0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.67 -0.00 0.00 3.52 4.39 -1.24 -3.33 114.58 117.25 1wyl h GLU 77 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1wyl h GLU 77 Cb 0.41 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1wyl h GLU 77 CO 0.00 -0.00 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.70 1wyl h LEU 78 N -0.01 0.00 0.00 1.33 3.38 -1.47 -3.46 115.31 115.09 1wyl h LEU 78 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wyl h LEU 78 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wyl h LEU 78 CO 0.00 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1wyl n GLY 79 N -1.24 0.45 3.58 0.83 0.00 0.35 -4.92 105.19 104.23 1wyl n GLY 79 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.03 3.57 0.08 -0.61 -1.09 0.30 -4.79 121.20 116.64 1wyl s ILE 80 Ca 0.00 -0.91 -0.27 0.00 -2.23 0.00 0.00 60.65 57.24 1wyl s ILE 80 Cb 0.00 -4.54 -0.15 0.00 -1.58 0.00 0.00 42.46 36.19 1wyl s ILE 80 CO 0.00 -1.07 0.63 0.41 -1.23 0.00 0.00 174.94 173.68 1wyl n THR 81 N 7.71 0.82 -2.06 2.92 -1.04 -1.26 -4.12 114.28 117.24 1wyl n THR 81 Ca 0.44 -0.21 -0.40 0.00 -2.04 0.00 0.00 64.05 61.84 1wyl n THR 81 Cb 0.47 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.95 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 -0.41 2.96 0.18 -2.82 0.04 -1.26 -4.84 135.00 128.85 1wyl s PRO 82 Ca 0.62 0.90 0.10 0.00 0.04 0.00 0.00 61.00 62.66 1wyl s PRO 82 Cb -0.88 -4.29 -0.06 0.00 0.04 0.00 0.00 34.50 29.32 1wyl s PRO 82 CO 0.45 -2.32 1.37 -0.24 0.04 0.00 0.00 177.00 176.30 1wyl h VAL 83 N 6.81 1.44 -3.98 -0.36 3.04 -1.94 -3.45 116.25 117.81 1wyl h VAL 83 Ca -0.29 -2.93 -0.69 0.00 -1.01 0.00 0.00 66.70 61.78 1wyl h VAL 83 Cb 1.16 2.65 -0.23 0.00 -2.01 0.00 0.00 31.29 32.86 1wyl h VAL 83 CO 1.14 0.80 -0.86 -0.69 -1.01 0.00 0.00 177.57 176.96 1wyl s VAL 84 N -2.88 2.38 -0.04 1.51 1.01 -1.26 -5.01 120.40 116.10 1wyl s VAL 84 Ca 0.02 -1.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.12 1wyl s VAL 84 Cb 0.10 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1wyl s VAL 84 CO 0.79 0.18 1.03 -0.44 0.00 0.00 0.00 175.10 176.66 1wyl s SER 85 N -1.82 7.26 0.24 3.32 0.01 -1.26 -4.91 113.70 116.54 1wyl s SER 85 Ca 0.14 1.65 0.08 0.00 1.31 0.00 0.00 55.95 59.13 1wyl s SER 85 Cb -0.10 -2.56 0.74 0.00 0.21 0.00 0.00 66.02 64.31 1wyl s SER 85 CO 0.06 -0.39 1.12 0.00 0.41 0.00 0.00 173.24 174.44 1wyl n ALA 86 N 4.49 0.54 0.27 1.44 0.00 -1.26 0.98 120.51 126.98 1wyl n ALA 86 Ca 0.08 0.74 -0.16 0.00 0.00 0.00 0.00 53.44 54.11 1wyl n ALA 86 Cb 0.49 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.65 -0.88 0.00 4.15 -1.96 -2.86 115.11 112.91 1wyl h GLN 87 Ca 0.51 0.04 0.20 0.00 0.77 0.00 0.00 58.65 60.18 1wyl h GLN 87 Cb 1.23 0.15 -0.12 0.00 0.21 0.00 0.00 27.48 28.95 1wyl h GLN 87 CO -0.61 -0.38 0.39 0.00 -1.93 0.00 0.00 178.83 176.30 1wyl h ALA 88 N -0.33 1.38 0.41 3.38 0.00 0.24 0.41 119.26 124.75 1wyl h ALA 88 Ca -0.07 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wyl h ALA 88 Cb 0.56 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1wyl h ALA 88 CO 0.11 -0.28 -0.50 0.28 0.00 0.00 0.00 179.25 178.86 1wyl h VAL 89 N 0.45 0.00 0.53 0.00 2.07 -1.14 -0.29 116.25 117.87 1wyl h VAL 89 Ca 0.53 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.02 1wyl h VAL 89 Cb 0.95 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1wyl h VAL 89 CO -0.49 0.00 -0.26 0.58 0.02 0.00 0.00 177.57 177.43 1wyl h VAL 90 N -0.93 0.36 0.00 2.57 2.07 -1.15 -2.68 116.25 116.49 1wyl h VAL 90 Ca -0.05 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1wyl h VAL 90 Cb 0.83 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1wyl h VAL 90 CO -0.11 0.05 0.57 0.00 0.02 0.00 0.00 177.57 178.10 1wyl h ALA 91 N -0.67 1.54 -1.81 1.67 0.00 -0.22 -3.44 119.26 116.33 1wyl h ALA 91 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.43 1wyl h ALA 91 Cb 0.62 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 1wyl h ALA 91 CO 0.12 -0.54 -0.43 0.41 0.00 0.00 0.00 179.25 178.81 1wyl n GLY 92 N -1.32 1.01 0.18 0.00 0.00 -0.13 -4.86 105.19 100.07 1wyl n GLY 92 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 0.80 -3.88 1.61 4.64 -1.81 -3.39 113.55 111.52 1wyl h SER 93 Ca -0.44 -0.75 -0.69 0.00 -0.47 0.00 0.00 61.79 59.45 1wyl h SER 93 Cb 1.33 -0.25 -0.37 0.00 -0.31 0.00 0.00 62.40 62.81 1wyl h SER 93 CO 0.59 1.45 -0.34 -1.81 -0.87 0.00 0.00 176.83 175.85 1wyl s ASP 94 N -7.14 5.30 0.30 4.97 1.01 -1.25 -4.91 116.67 114.95 1wyl s ASP 94 Ca -0.11 -3.20 0.08 0.00 0.71 0.00 0.00 52.55 50.03 1wyl s ASP 94 Cb 0.06 -1.83 0.47 0.00 1.01 0.00 0.00 42.92 42.63 1wyl s ASP 94 CO 0.89 -0.28 1.69 1.55 0.21 0.00 0.00 175.17 179.24 1wyl h PRO 95 N 6.54 0.13 -0.21 8.23 0.13 -1.89 -3.18 132.00 141.75 1wyl h PRO 95 Ca 0.04 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1wyl h PRO 95 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1wyl h PRO 95 CO 0.75 0.58 0.08 -0.07 -0.23 0.00 0.00 178.00 179.10 1wyl h LEU 96 N 0.11 0.29 -0.09 1.56 4.07 -1.96 -3.00 115.31 116.28 1wyl h LEU 96 Ca 0.00 -0.18 0.04 0.00 0.08 0.00 0.00 57.88 57.83 1wyl h LEU 96 Cb 0.88 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 42.49 1wyl h LEU 96 CO 0.07 0.39 -0.30 1.23 -1.08 0.00 0.00 178.44 178.75 1wyl h GLY 97 N 0.17 -0.42 -0.22 0.83 0.00 -1.95 -2.07 103.07 99.42 1wyl h GLY 97 Ca 0.07 0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.81 1wyl h GLY 97 CO -0.00 -0.22 -0.53 -2.00 0.00 0.00 0.00 176.54 173.78 1wyl h LEU 98 N -0.40 -1.73 -0.76 3.11 5.85 -1.59 0.35 115.31 120.15 1wyl h LEU 98 Ca 0.09 0.22 0.17 0.00 0.84 0.00 0.00 57.88 59.20 1wyl h LEU 98 Cb 0.53 0.69 -0.13 0.00 0.37 0.00 0.00 40.66 42.12 1wyl h LEU 98 CO -0.32 -0.45 0.00 0.40 -0.34 0.00 0.00 178.44 177.73 1wyl h ILE 99 N -0.51 0.33 0.00 4.05 2.04 -1.36 0.66 117.51 122.72 1wyl h ILE 99 Ca 0.05 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 1wyl h ILE 99 Cb 0.65 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1wyl h ILE 99 CO -0.49 0.02 -0.34 0.00 0.00 0.00 0.00 178.15 177.33 1wyl h ALA 100 N 1.71 1.33 0.17 1.87 0.00 -0.48 -2.71 119.26 121.16 1wyl h ALA 100 Ca 0.41 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wyl h ALA 100 Cb 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1wyl h ALA 100 CO -0.67 0.43 -0.08 -0.92 0.00 0.00 0.00 179.25 178.00 1wyl h TYR 101 N 0.00 -0.22 -0.89 0.00 3.20 0.42 -3.23 116.97 116.26 1wyl h TYR 101 Ca -0.00 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.95 1wyl h TYR 101 Cb 0.65 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.91 1wyl h TYR 101 CO 0.00 0.19 0.54 -0.07 -1.64 0.00 0.00 178.16 177.17 1wyl h LEU 102 N -0.71 0.80 -1.13 2.82 3.38 -0.94 -1.27 115.31 118.26 1wyl h LEU 102 Ca -0.02 0.04 0.26 0.00 0.09 0.00 0.00 57.88 58.25 1wyl h LEU 102 Cb 0.50 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 41.01 1wyl h LEU 102 CO 0.04 0.47 0.63 0.77 0.09 0.00 0.00 178.44 180.43 1wyl h SER 103 N 0.91 0.58 -0.42 -0.43 4.64 -1.50 0.14 113.55 117.48 1wyl h SER 103 Ca 0.42 0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.89 1wyl h SER 103 Cb 0.34 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 1wyl h SER 103 CO -0.23 0.07 0.22 0.45 -0.87 0.00 0.00 176.83 176.47 1wyl h HIS 104 N 0.49 0.41 0.52 4.77 3.86 -1.27 0.24 115.15 124.17 1wyl h HIS 104 Ca 0.64 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.85 1wyl h HIS 104 Cb 1.40 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.73 1wyl h HIS 104 CO -0.01 0.22 -0.47 0.74 0.86 0.00 0.00 177.93 179.27 1wyl h PHE 105 N 0.44 -1.28 0.50 2.45 -1.00 -0.78 -2.39 116.94 114.88 1wyl h PHE 105 Ca 0.17 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 1wyl h PHE 105 Cb 0.06 0.49 -0.00 0.00 3.61 0.00 0.00 35.95 40.11 1wyl h PHE 105 CO -0.09 -0.65 -0.30 1.25 -1.61 0.00 0.00 178.31 176.91 1wyl h HIS 106 N -0.98 -0.80 -0.98 -0.55 2.76 -1.37 0.23 115.15 113.46 1wyl h HIS 106 Ca -0.06 -0.01 0.28 0.00 -2.20 0.00 0.00 60.37 58.38 1wyl h HIS 106 Cb 0.85 0.28 -0.04 0.00 1.55 0.00 0.00 27.41 30.05 1wyl h HIS 106 CO -0.22 -0.47 1.06 0.77 -1.30 0.00 0.00 177.93 177.78 1wyl h SER 107 N -0.76 0.00 0.03 3.26 0.02 -0.47 1.66 113.55 117.29 1wyl h SER 107 Ca -0.06 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.63 1wyl h SER 107 Cb 0.62 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 1wyl h SER 107 CO 0.06 0.00 -2.24 0.00 -1.14 0.00 0.00 176.83 173.51 1wyl n ALA 108 N -2.33 1.88 -2.04 3.77 0.00 -0.70 -4.46 120.51 116.64 1wyl n ALA 108 Ca 0.21 -1.08 -0.26 0.00 0.00 0.00 0.00 53.44 52.32 1wyl n ALA 108 Cb 1.37 -0.37 0.02 0.00 0.00 0.00 0.00 19.45 20.47 1wyl n ALA 108 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wyl n PHE 109 N -2.62 2.90 -4.18 0.00 3.72 0.49 -5.04 117.46 112.74 1wyl n PHE 109 Ca -0.24 -2.43 -0.24 0.00 -0.05 0.00 0.00 57.45 54.49 1wyl n PHE 109 Cb 0.98 -0.40 -0.07 0.00 -0.94 0.00 0.00 39.48 39.05 1wyl n PHE 109 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1wyl s LYS 110 N -3.62 2.23 -0.22 -1.08 -2.85 0.28 -4.80 119.74 109.68 1wyl s LYS 110 Ca 0.52 -1.72 -0.31 0.00 -1.00 0.00 0.00 55.97 53.46 1wyl s LYS 110 Cb 0.42 -2.03 0.16 0.00 -2.06 0.00 0.00 37.83 34.31 1wyl s LYS 110 CO -0.01 0.03 1.19 0.45 0.10 0.00 0.00 175.35 177.12 1wyl s SER 111 N -3.83 -0.18 0.20 0.03 0.15 -1.26 -4.97 113.70 103.83 1wyl s SER 111 Ca 0.38 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1wyl s SER 111 Cb 0.01 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1wyl s SER 111 CO 0.22 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1wyl n GLY 112 N 0.44 -2.59 0.07 9.45 0.00 -1.26 -0.90 105.19 110.40 1wyl n GLY 112 Ca -0.04 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 1wyl n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyl h PRO 113 N -0.48 -0.05 0.00 1.61 0.13 -2.02 -3.39 132.00 127.80 1wyl h PRO 113 Ca -0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 1wyl h PRO 113 Cb 0.47 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1wyl h PRO 113 CO 0.02 0.42 -0.48 1.03 -0.23 0.00 0.00 178.00 178.76 1wyl h SER 114 N -0.54 0.00 -4.84 1.44 0.87 -1.86 -3.47 113.55 105.15 1wyl h SER 114 Ca -0.00 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 1wyl h SER 114 Cb 0.49 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.28 1wyl h SER 114 CO 0.01 0.83 0.27 -0.44 -0.53 0.00 0.00 176.83 176.97 1wyl s SER 115 N -5.90 -0.57 0.00 6.23 0.01 -1.26 -5.02 113.70 107.19 1wyl s SER 115 Ca -0.14 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1wyl s SER 115 Cb 0.02 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1wyl s SER 115 CO 0.26 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.86