#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 2.94 -0.15 1.61 0.15 -1.26 -4.97 113.70 112.02 1wyl s SER 2 Ca 0.00 -2.85 -0.28 0.00 0.70 0.00 0.00 55.95 53.52 1wyl s SER 2 Cb 0.00 -0.78 -0.25 0.00 -1.71 0.00 0.00 66.02 63.28 1wyl s SER 2 CO 0.00 -0.22 0.70 0.28 1.20 0.00 0.00 173.24 175.20 1wyl h SER 3 N 6.25 0.00 -0.08 5.45 0.02 -2.10 -3.49 113.55 119.60 1wyl h SER 3 Ca 0.12 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.14 1wyl h SER 3 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1wyl h SER 3 CO 0.43 1.05 0.00 0.61 -1.14 0.00 0.00 176.83 177.79 1wyl n GLY 4 N 1.59 0.85 2.83 -3.77 0.00 -1.26 -5.13 105.19 100.30 1wyl n GLY 4 Ca -0.13 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.01 0.11 0.34 1.61 0.01 -1.26 -5.15 113.70 107.34 1wyl s SER 5 Ca 0.00 0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.21 1wyl s SER 5 Cb 0.00 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.18 1wyl s SER 5 CO 0.00 -0.06 0.52 -0.55 0.41 0.00 0.00 173.24 173.56 1wyl s SER 6 N 0.55 0.66 0.00 2.44 0.15 -1.26 -4.93 113.70 111.30 1wyl s SER 6 Ca -0.05 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.23 1wyl s SER 6 Cb -0.07 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1wyl s SER 6 CO -0.01 -1.34 0.00 0.61 1.20 0.00 0.00 173.24 173.70 1wyl n GLY 7 N -0.54 2.17 3.12 9.45 0.00 -1.26 -4.92 105.19 113.22 1wyl n GLY 7 Ca -0.01 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1wyl n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wyl n THR 8 N 0.00 0.11 0.56 2.61 5.66 -1.26 -4.78 114.28 117.18 1wyl n THR 8 Ca 0.00 -0.45 -0.01 0.00 -3.05 0.00 0.00 64.05 60.54 1wyl n THR 8 Cb 0.00 -0.14 0.07 0.00 -1.55 0.00 0.00 70.33 68.72 1wyl n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wyl n GLN 9 N 1.56 1.66 -0.07 1.09 1.13 -1.26 -4.12 117.38 117.37 1wyl n GLN 9 Ca 0.01 -0.68 -0.13 0.00 -1.94 0.00 0.00 57.00 54.27 1wyl n GLN 9 Cb 0.54 -1.53 -0.06 0.00 0.11 0.00 0.00 30.24 29.30 1wyl n GLN 9 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1wyl h GLU 10 N 0.66 0.46 0.00 -1.09 4.57 -1.95 -1.38 114.58 115.85 1wyl h GLU 10 Ca 0.05 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1wyl h GLU 10 Cb 1.02 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1wyl h GLU 10 CO 0.15 0.78 0.00 -0.85 -1.18 0.00 0.00 179.01 177.91 1wyl n GLU 11 N -4.50 0.09 -0.11 1.92 0.00 -1.26 -2.47 120.64 114.31 1wyl n GLU 11 Ca -0.05 0.22 -0.24 0.00 0.00 0.00 0.00 57.16 57.08 1wyl n GLU 11 Cb 0.37 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.20 1wyl n GLU 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1wyl n LEU 12 N -1.40 2.25 0.47 -1.84 7.94 -1.03 -3.97 117.00 119.42 1wyl n LEU 12 Ca 0.05 0.24 -0.18 0.00 -1.11 0.00 0.00 56.01 55.00 1wyl n LEU 12 Cb 0.13 -0.91 -0.09 0.00 0.53 0.00 0.00 43.42 43.08 1wyl n LEU 12 CO 0.11 0.62 0.50 0.25 -1.11 0.00 0.00 177.39 177.77 1wyl h LEU 13 N -0.64 -1.01 -0.48 -1.96 5.85 -1.12 -1.21 115.31 114.74 1wyl h LEU 13 Ca -0.56 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.28 1wyl h LEU 13 Cb 1.66 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 42.85 1wyl h LEU 13 CO -0.24 -0.69 -0.37 0.03 -0.34 0.00 0.00 178.44 176.83 1wyl h ARG 14 N -1.24 -0.23 -0.57 1.25 3.08 -1.74 0.21 114.38 115.13 1wyl h ARG 14 Ca -0.12 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.04 1wyl h ARG 14 Cb 0.91 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.94 1wyl h ARG 14 CO 0.20 -0.16 0.14 2.35 -1.07 0.00 0.00 179.97 181.43 1wyl h TRP 15 N -0.24 0.22 -0.31 3.04 7.01 -1.68 -1.77 115.95 122.22 1wyl h TRP 15 Ca 0.18 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.22 1wyl h TRP 15 Cb 0.56 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.59 1wyl h TRP 15 CO -0.61 0.00 0.20 0.00 -2.79 0.00 0.00 178.44 175.24 1wyl h GLN 17 N 0.41 -0.42 -0.94 0.00 4.20 0.21 0.50 115.11 119.07 1wyl h GLN 17 Ca 0.11 0.03 0.23 0.00 0.06 0.00 0.00 58.65 59.08 1wyl h GLN 17 Cb -0.02 0.10 -0.12 0.00 0.30 0.00 0.00 27.48 27.73 1wyl h GLN 17 CO -0.02 -0.28 0.49 0.93 -0.67 0.00 0.00 178.83 179.27 1wyl h GLU 18 N -0.44 0.49 -0.03 1.46 4.39 -1.41 0.58 114.58 119.62 1wyl h GLU 18 Ca 0.06 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1wyl h GLU 18 Cb 0.60 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1wyl h GLU 18 CO -0.53 0.32 -0.55 1.96 -1.16 0.00 0.00 179.01 179.04 1wyl h GLN 19 N 0.50 0.09 -0.62 2.33 1.08 -0.73 -2.85 115.11 114.92 1wyl h GLN 19 Ca 0.59 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.73 1wyl h GLN 19 Cb 1.10 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1wyl h GLN 19 CO -0.49 0.62 0.00 0.25 -0.95 0.00 0.00 178.83 178.26 1wyl n THR 20 N -3.89 2.34 -2.04 -0.54 -2.24 0.16 -4.28 114.28 103.78 1wyl n THR 20 Ca -0.02 -1.28 -0.30 0.00 -2.27 0.00 0.00 64.05 60.19 1wyl n THR 20 Cb 0.57 -0.14 0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.38 3.10 0.00 6.98 0.00 0.13 -4.31 121.76 125.28 1wyl s ALA 21 Ca 0.52 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1wyl s ALA 21 Cb 0.37 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.55 1wyl s ALA 21 CO 0.19 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1wyl n GLY 22 N -2.74 2.01 3.49 0.00 0.00 -1.26 -4.97 105.19 101.71 1wyl n GLY 22 Ca 0.05 -0.25 -0.63 0.00 0.00 0.00 0.00 46.02 45.20 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 1.48 -2.16 1.61 4.19 -1.26 -4.81 117.16 116.22 1wyl n TYR 23 Ca 0.00 1.07 -0.42 0.00 3.31 0.00 0.00 57.90 61.85 1wyl n TYR 23 Cb 0.00 -2.07 -0.03 0.00 0.49 0.00 0.00 39.34 37.73 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 2.36 4.22 0.00 2.98 0.04 -1.26 -2.97 135.00 140.37 1wyl s PRO 24 Ca 0.97 2.01 0.00 0.00 0.04 0.00 0.00 61.00 64.02 1wyl s PRO 24 Cb -1.37 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 29.34 1wyl s PRO 24 CO 0.73 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1wyl n GLY 25 N 3.89 3.00 3.56 0.56 0.00 -1.26 -5.01 105.19 109.93 1wyl n GLY 25 Ca 0.15 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 1wyl n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wyl n VAL 26 N 0.00 -0.01 -3.63 1.61 0.31 -1.16 -4.90 118.33 110.55 1wyl n VAL 26 Ca 0.00 -0.73 -0.39 0.00 -0.01 0.00 0.00 64.34 63.21 1wyl n VAL 26 Cb 0.00 -2.71 -0.08 0.00 -0.91 0.00 0.00 33.84 30.14 1wyl n VAL 26 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1wyl s HIS 27 N 11.51 3.49 -1.10 3.52 3.76 -1.26 -4.92 115.29 130.29 1wyl s HIS 27 Ca 1.00 -2.38 -0.06 0.00 -0.15 0.00 0.00 55.06 53.46 1wyl s HIS 27 Cb -0.23 -3.37 0.29 0.00 1.11 0.00 0.00 32.58 30.38 1wyl s HIS 27 CO 0.28 -0.92 1.34 0.28 -0.85 0.00 0.00 174.74 174.87 1wyl n VAL 28 N 4.01 4.98 0.52 -0.90 0.31 -1.26 -4.72 118.33 121.27 1wyl n VAL 28 Ca 0.04 -5.65 0.12 0.00 -0.01 0.00 0.00 64.34 58.84 1wyl n VAL 28 Cb 0.40 -2.31 0.08 0.00 -0.91 0.00 0.00 33.84 31.11 1wyl n VAL 28 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1wyl n SER 29 N 2.03 0.66 -3.38 4.52 3.41 -1.26 -4.75 113.62 114.84 1wyl n SER 29 Ca 0.26 -0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.75 1wyl n SER 29 Cb 0.36 0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 64.79 1wyl n SER 29 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wyl s ASP 30 N -4.19 0.21 -0.52 4.04 1.11 -1.26 -5.08 116.67 110.98 1wyl s ASP 30 Ca 0.04 -1.12 0.04 0.00 0.18 0.00 0.00 52.55 51.69 1wyl s ASP 30 Cb 0.14 0.72 0.39 0.00 1.07 0.00 0.00 42.92 45.24 1wyl s ASP 30 CO 0.77 -1.41 1.19 0.18 1.18 0.00 0.00 175.17 177.08 1wyl n LEU 31 N -0.50 5.03 0.06 1.23 4.77 -1.26 -4.34 117.00 122.00 1wyl n LEU 31 Ca -0.04 -5.28 0.00 0.00 -0.03 0.00 0.00 56.01 50.67 1wyl n LEU 31 Cb 0.61 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1wyl n LEU 31 CO 0.25 2.21 0.00 -1.54 -1.33 0.00 0.00 177.39 176.98 1wyl n SER 32 N -0.43 0.29 0.00 -1.43 3.41 -1.26 -4.83 113.62 109.37 1wyl n SER 32 Ca 0.39 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1wyl n SER 32 Cb 0.55 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1wyl n SER 32 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wyl n SER 33 N -3.13 2.91 0.30 4.04 3.41 -1.26 -4.55 113.62 115.33 1wyl n SER 33 Ca 0.00 -0.20 0.16 0.00 -0.26 0.00 0.00 58.87 58.58 1wyl n SER 33 Cb 0.00 0.97 0.93 0.00 -0.26 0.00 0.00 64.21 65.85 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 0.12 4.04 0.02 -1.85 -0.83 113.55 115.05 1wyl h SER 34 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wyl h SER 34 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1wyl h SER 34 CO 0.00 0.03 -1.26 0.79 -1.14 0.00 0.00 176.83 175.25 1wyl n TRP 35 N -3.62 0.07 -0.03 3.45 7.02 -1.26 -4.39 117.44 118.68 1wyl n TRP 35 Ca -0.03 0.02 -0.09 0.00 -1.02 0.00 0.00 57.50 56.38 1wyl n TRP 35 Cb 0.13 -0.25 -0.03 0.00 -2.42 0.00 0.00 31.31 28.73 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 2.62 0.16 -0.95 6.99 0.00 -1.33 -2.27 119.26 124.47 1wyl h ALA 36 Ca 0.00 0.04 0.36 0.00 0.00 0.00 0.00 54.91 55.31 1wyl h ALA 36 Cb 0.69 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.42 1wyl h ALA 36 CO 0.00 -0.43 0.57 -0.25 0.00 0.00 0.00 179.25 179.13 1wyl n ASP 37 N -5.12 0.23 0.00 0.00 8.00 -1.24 -4.18 116.55 114.23 1wyl n ASP 37 Ca -0.03 1.23 0.00 0.00 0.71 0.00 0.00 54.79 56.69 1wyl n ASP 37 Cb 0.09 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1wyl n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wyl n GLY 38 N -1.31 3.12 0.21 0.44 0.00 -0.86 -4.27 105.19 102.53 1wyl n GLY 38 Ca 0.31 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.03 -0.24 0.99 3.38 -1.82 -2.87 115.31 114.71 1wyl h LEU 39 Ca 0.00 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1wyl h LEU 39 Cb 0.00 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1wyl h LEU 39 CO 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.39 1wyl n ALA 40 N -2.58 -0.16 -0.04 1.53 0.00 -1.26 0.23 120.51 118.24 1wyl n ALA 40 Ca 0.07 0.21 0.17 0.00 0.00 0.00 0.00 53.44 53.89 1wyl n ALA 40 Cb 0.29 0.20 0.61 0.00 0.00 0.00 0.00 19.45 20.55 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 0.16 -0.30 0.00 3.38 -1.77 -0.93 115.31 115.85 1wyl h LEU 41 Ca 0.04 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1wyl h LEU 41 Cb 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1wyl h LEU 41 CO -0.23 0.09 -0.07 0.00 0.09 0.00 0.00 178.44 178.32 1wyl h ALA 43 N 0.79 0.74 -0.80 0.00 0.00 0.11 -0.18 119.26 119.90 1wyl h ALA 43 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1wyl h ALA 43 Cb 0.55 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1wyl h ALA 43 CO 0.03 0.41 0.35 1.25 0.00 0.00 0.00 179.25 181.29 1wyl h LEU 44 N 0.79 1.08 0.34 0.00 5.85 -1.28 -1.09 115.31 120.99 1wyl h LEU 44 Ca 0.18 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1wyl h LEU 44 Cb 0.30 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1wyl h LEU 44 CO -0.00 0.93 -0.16 0.58 -0.34 0.00 0.00 178.44 179.45 1wyl h VAL 45 N 1.15 0.49 -0.27 1.05 2.07 -1.13 -2.17 116.25 117.45 1wyl h VAL 45 Ca 0.27 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 67.14 1wyl h VAL 45 Cb 0.17 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 1wyl h VAL 45 CO -0.03 0.11 -0.25 1.88 0.02 0.00 0.00 177.57 179.30 1wyl h TYR 46 N -0.94 -0.66 0.36 1.57 0.05 -1.02 -2.39 116.97 113.93 1wyl h TYR 46 Ca -0.05 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1wyl h TYR 46 Cb 0.52 0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.57 1wyl h TYR 46 CO 0.03 -0.32 -0.37 -0.09 -1.05 0.00 0.00 178.16 176.36 1wyl h ARG 47 N -0.24 -0.70 -0.84 4.88 1.12 -1.28 -2.30 114.38 115.02 1wyl h ARG 47 Ca 0.14 0.05 0.29 0.00 -1.11 0.00 0.00 59.98 59.35 1wyl h ARG 47 Cb 0.47 0.16 -0.15 0.00 -0.01 0.00 0.00 29.97 30.43 1wyl h ARG 47 CO -0.41 -0.47 0.23 1.28 -3.11 0.00 0.00 179.97 177.49 1wyl n LEU 48 N -4.63 0.09 -3.74 3.80 4.77 -0.82 -3.24 117.00 113.24 1wyl n LEU 48 Ca -0.09 1.41 -0.30 0.00 -0.03 0.00 0.00 56.01 57.00 1wyl n LEU 48 Cb 0.33 -0.60 -0.15 0.00 -2.33 0.00 0.00 43.42 40.68 1wyl n LEU 48 CO 0.19 -1.50 -0.33 -1.58 -1.33 0.00 0.00 177.39 172.85 1wyl s GLN 49 N -5.54 0.77 0.39 3.23 0.74 -0.88 -4.98 119.66 113.39 1wyl s GLN 49 Ca -0.09 -1.16 0.18 0.00 0.05 0.00 0.00 55.36 54.33 1wyl s GLN 49 Cb 0.26 -2.06 0.78 0.00 1.10 0.00 0.00 33.01 33.10 1wyl s GLN 49 CO 0.65 -1.00 1.80 -1.00 -0.55 0.00 0.00 175.29 175.19 1wyl h PRO 50 N 7.98 0.00 -0.26 1.67 0.13 -1.48 -3.03 132.00 137.01 1wyl h PRO 50 Ca -0.12 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.05 1wyl h PRO 50 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1wyl h PRO 50 CO 0.47 0.36 0.18 0.78 -0.23 0.00 0.00 178.00 179.56 1wyl h GLY 51 N 1.60 0.18 -1.38 1.56 0.00 -1.92 -3.43 103.07 99.68 1wyl h GLY 51 Ca -0.00 -0.06 -0.52 0.00 0.00 0.00 0.00 47.33 46.75 1wyl h GLY 51 CO 0.05 0.05 0.31 1.08 0.00 0.00 0.00 176.54 178.03 1wyl s LEU 52 N -9.11 3.06 1.16 3.11 1.43 -1.15 -5.00 118.68 112.18 1wyl s LEU 52 Ca -0.06 1.93 -0.18 0.00 -1.03 0.00 0.00 54.13 54.80 1wyl s LEU 52 Cb 0.18 -4.54 0.18 0.00 0.03 0.00 0.00 46.19 42.05 1wyl s LEU 52 CO 0.70 -2.18 0.31 0.00 0.23 0.00 0.00 176.35 175.41 1wyl n LEU 53 N -3.47 -1.88 -4.77 1.79 -0.00 -1.26 -5.02 117.00 102.39 1wyl n LEU 53 Ca 0.10 -0.28 -0.22 0.00 -0.00 0.00 0.00 56.01 55.60 1wyl n LEU 53 Cb 0.53 -0.96 -0.05 0.00 -0.00 0.00 0.00 43.42 42.93 1wyl n LEU 53 CO 0.52 -3.32 -0.19 -1.61 -0.00 0.00 0.00 177.39 172.78 1wyl s GLU 54 N -3.77 2.63 0.00 1.47 2.02 -1.26 -4.94 118.70 114.85 1wyl s GLU 54 Ca 0.55 -1.29 0.07 0.00 0.02 0.00 0.00 54.97 54.32 1wyl s GLU 54 Cb -0.13 -2.38 0.39 0.00 0.10 0.00 0.00 34.13 32.12 1wyl s GLU 54 CO 0.59 0.27 0.85 -0.35 0.02 0.00 0.00 175.26 176.63 1wyl n PRO 55 N -1.15 0.48 -0.37 0.39 -0.04 -1.26 -4.10 135.00 128.95 1wyl n PRO 55 Ca -0.05 0.00 0.30 0.00 -0.04 0.00 0.00 63.50 63.71 1wyl n PRO 55 Cb 0.59 -1.21 0.49 0.00 -0.04 0.00 0.00 33.50 33.33 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 -0.71 0.10 -0.03 3.54 7.64 -1.26 0.20 113.62 123.09 1wyl n SER 56 Ca 0.05 0.86 -0.22 0.00 1.01 0.00 0.00 58.87 60.57 1wyl n SER 56 Cb 0.02 -0.42 -0.13 0.00 -1.01 0.00 0.00 64.21 62.67 1wyl n SER 56 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wyl n GLU 57 N -3.81 0.70 -0.24 1.43 4.71 -1.26 -4.18 120.64 117.99 1wyl n GLU 57 Ca 0.28 0.33 0.15 0.00 -0.01 0.00 0.00 57.16 57.90 1wyl n GLU 57 Cb 1.15 -1.70 0.44 0.00 -1.01 0.00 0.00 31.44 30.32 1wyl n GLU 57 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1wyl h LEU 58 N -0.22 0.54 -0.97 -4.62 4.07 0.20 -1.70 115.31 112.61 1wyl h LEU 58 Ca -0.43 0.04 0.29 0.00 0.08 0.00 0.00 57.88 57.86 1wyl h LEU 58 Cb 1.84 -0.06 -0.18 0.00 1.08 0.00 0.00 40.66 43.34 1wyl h LEU 58 CO -0.01 0.25 0.15 0.06 -1.08 0.00 0.00 178.44 177.82 1wyl h GLN 59 N 0.56 0.04 -1.74 1.13 3.07 -1.04 0.34 115.11 117.47 1wyl h GLN 59 Ca 0.44 -0.00 -0.63 0.00 0.09 0.00 0.00 58.65 58.55 1wyl h GLN 59 Cb 0.88 -0.01 -0.38 0.00 0.08 0.00 0.00 27.48 28.04 1wyl h GLN 59 CO -0.19 0.03 -0.30 0.41 0.09 0.00 0.00 178.83 178.87 1wyl n GLY 60 N -1.43 5.87 0.49 0.06 0.00 -0.64 -4.78 105.19 104.75 1wyl n GLY 60 Ca 0.25 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.45 0.00 0.00 0.99 4.77 0.11 -5.08 117.00 117.34 1wyl n LEU 61 Ca 0.41 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1wyl n LEU 61 Cb 0.53 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1wyl n LEU 61 CO 0.37 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1wyl n GLY 62 N 2.82 3.18 0.27 -0.72 0.00 -1.26 -4.83 105.19 104.66 1wyl n GLY 62 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 1.02 0.01 4.61 0.00 -1.96 -1.13 119.26 121.81 1wyl h ALA 63 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1wyl h ALA 63 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wyl h ALA 63 CO 0.00 -0.19 -0.23 1.25 0.00 0.00 0.00 179.25 180.08 1wyl h LEU 64 N 0.46 0.03 -1.21 0.00 5.85 -1.89 -3.31 115.31 115.24 1wyl h LEU 64 Ca 0.39 -0.93 0.37 0.00 0.84 0.00 0.00 57.88 58.55 1wyl h LEU 64 Cb 0.57 -0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.45 1wyl h LEU 64 CO -0.38 1.10 0.69 -0.33 -0.34 0.00 0.00 178.44 179.18 1wyl h GLU 65 N -0.95 0.20 0.24 1.25 4.39 -1.83 -1.51 114.58 116.37 1wyl h GLU 65 Ca -0.06 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1wyl h GLU 65 Cb 1.09 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1wyl h GLU 65 CO -0.02 0.13 -0.11 0.00 -1.16 0.00 0.00 179.01 177.85 1wyl h ALA 66 N 1.74 -0.93 -1.00 3.43 0.00 -1.31 -3.10 119.26 118.09 1wyl h ALA 66 Ca 0.76 -0.07 0.39 0.00 0.00 0.00 0.00 54.91 55.99 1wyl h ALA 66 Cb 2.07 0.12 -0.17 0.00 0.00 0.00 0.00 17.79 19.81 1wyl h ALA 66 CO -0.51 -0.91 0.52 1.15 0.00 0.00 0.00 179.25 179.49 1wyl h THR 67 N -0.36 0.07 -0.52 0.00 2.02 -1.39 0.46 112.91 113.19 1wyl h THR 67 Ca -0.03 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.23 1wyl h THR 67 Cb 0.24 -0.01 -0.09 0.00 -1.74 0.00 0.00 68.15 66.55 1wyl h THR 67 CO 0.05 0.01 -0.05 0.00 0.37 0.00 0.00 175.52 175.90 1wyl h ALA 68 N 1.96 0.44 0.66 6.16 0.00 -1.29 -1.10 119.26 126.09 1wyl h ALA 68 Ca 0.81 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.86 1wyl h ALA 68 Cb 2.05 0.32 0.01 0.00 0.00 0.00 0.00 17.79 20.17 1wyl h ALA 68 CO -0.74 -0.41 -0.32 2.35 0.00 0.00 0.00 179.25 180.13 1wyl h TRP 69 N 0.06 -0.82 -0.95 0.00 7.01 -0.06 -2.40 115.95 118.78 1wyl h TRP 69 Ca 0.26 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.38 1wyl h TRP 69 Cb 0.40 0.27 -0.15 0.00 -2.10 0.00 0.00 29.16 27.59 1wyl h TRP 69 CO -0.37 -0.48 -0.43 0.00 -2.79 0.00 0.00 178.44 174.37 1wyl h ALA 70 N -1.01 -0.00 0.00 2.65 0.00 -1.19 1.70 119.26 121.41 1wyl h ALA 70 Ca -0.09 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1wyl h ALA 70 Cb 0.71 1.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1wyl h ALA 70 CO 0.15 -0.70 -0.03 -0.07 0.00 0.00 0.00 179.25 178.60 1wyl h LEU 71 N -0.02 0.00 0.00 0.00 3.38 -1.23 -0.93 115.31 116.51 1wyl h LEU 71 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1wyl h LEU 71 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1wyl h LEU 71 CO -0.95 0.03 0.00 1.17 0.09 0.00 0.00 178.44 178.78 1wyl n LYS 72 N -3.99 0.00 -0.34 1.13 4.81 0.55 -2.06 118.16 118.27 1wyl n LYS 72 Ca -0.03 0.49 0.29 0.00 -0.87 0.00 0.00 58.31 58.19 1wyl n LYS 72 Cb 0.12 -1.07 0.61 0.00 0.02 0.00 0.00 35.03 34.70 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 0.44 -0.26 3.15 2.07 -0.71 0.50 116.25 121.44 1wyl h VAL 73 Ca 0.00 -0.08 -0.18 0.00 0.82 0.00 0.00 66.70 67.26 1wyl h VAL 73 Cb 0.00 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1wyl h VAL 73 CO 0.00 0.04 -0.57 0.00 0.02 0.00 0.00 177.57 177.06 1wyl h ALA 74 N 1.54 0.50 0.00 1.67 0.00 -1.28 0.49 119.26 122.18 1wyl h ALA 74 Ca 0.61 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wyl h ALA 74 Cb 1.89 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1wyl h ALA 74 CO -0.20 0.68 -0.02 1.49 0.00 0.00 0.00 179.25 181.20 1wyl h GLU 75 N 0.62 0.00 0.00 0.00 4.22 0.35 2.02 114.58 121.79 1wyl h GLU 75 Ca 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 1wyl h GLU 75 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1wyl h GLU 75 CO 0.12 0.00 -0.89 0.09 -2.18 0.00 0.00 179.01 176.15 1wyl n ASN 76 N -2.50 1.90 0.01 1.04 3.02 0.12 -3.88 115.26 114.96 1wyl n ASN 76 Ca 0.05 0.42 -0.01 0.00 -0.03 0.00 0.00 54.58 55.01 1wyl n ASN 76 Cb 0.46 -0.78 -0.00 0.00 -0.61 0.00 0.00 39.78 38.84 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 -1.00 -0.06 0.00 3.52 4.39 -0.17 -3.34 114.58 117.92 1wyl h GLU 77 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1wyl h GLU 77 Cb 0.87 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1wyl h GLU 77 CO -0.01 -0.04 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.65 1wyl h LEU 78 N -0.41 0.00 0.62 1.33 3.38 -1.35 -3.46 115.31 115.41 1wyl h LEU 78 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 1wyl h LEU 78 Cb 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 1wyl h LEU 78 CO 0.01 0.08 -0.24 0.61 0.09 0.00 0.00 178.44 178.99 1wyl n GLY 79 N -0.62 1.36 3.57 0.83 0.00 0.64 -4.91 105.19 106.05 1wyl n GLY 79 Ca -0.02 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.43 3.95 -0.21 -0.61 -1.09 0.15 -4.84 121.20 116.12 1wyl s ILE 80 Ca 0.00 -1.19 -0.39 0.00 -2.23 0.00 0.00 60.65 56.84 1wyl s ILE 80 Cb 0.00 -5.02 -0.18 0.00 -1.58 0.00 0.00 42.46 35.68 1wyl s ILE 80 CO 0.00 -1.86 1.19 0.41 -1.23 0.00 0.00 174.94 173.45 1wyl n THR 81 N 6.81 0.00 -2.07 2.92 -1.04 -1.26 -4.16 114.28 115.47 1wyl n THR 81 Ca 0.40 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 62.00 1wyl n THR 81 Cb 0.49 -0.21 -0.03 0.00 -1.82 0.00 0.00 70.33 68.76 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 1.27 3.12 0.25 -2.82 0.04 -1.26 -4.85 135.00 130.74 1wyl s PRO 82 Ca 0.88 1.04 0.13 0.00 0.04 0.00 0.00 61.00 63.10 1wyl s PRO 82 Cb -1.25 -4.24 0.11 0.00 0.04 0.00 0.00 34.50 29.17 1wyl s PRO 82 CO 0.62 -2.13 1.46 -0.24 0.04 0.00 0.00 177.00 176.75 1wyl h VAL 83 N 6.78 1.15 -3.04 -0.36 3.04 -1.93 -3.45 116.25 118.44 1wyl h VAL 83 Ca -0.30 -2.44 -0.63 0.00 -1.01 0.00 0.00 66.70 62.31 1wyl h VAL 83 Cb 1.16 2.44 -0.15 0.00 -2.01 0.00 0.00 31.29 32.72 1wyl h VAL 83 CO 1.11 0.62 -0.76 -0.69 -1.01 0.00 0.00 177.57 176.84 1wyl s VAL 84 N -3.04 2.91 -0.14 1.51 1.01 -1.26 -5.02 120.40 116.37 1wyl s VAL 84 Ca 0.02 -1.80 -0.23 0.00 0.00 0.00 0.00 61.98 59.97 1wyl s VAL 84 Cb 0.09 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1wyl s VAL 84 CO 0.76 -0.12 0.71 -0.44 0.00 0.00 0.00 175.10 176.01 1wyl s SER 85 N -2.80 6.87 0.26 3.32 0.01 -1.26 -4.92 113.70 115.18 1wyl s SER 85 Ca 0.24 1.06 0.15 0.00 1.31 0.00 0.00 55.95 58.71 1wyl s SER 85 Cb -0.08 -2.40 0.94 0.00 0.21 0.00 0.00 66.02 64.69 1wyl s SER 85 CO 0.13 -0.25 1.10 0.00 0.41 0.00 0.00 173.24 174.64 1wyl n ALA 86 N 4.61 0.73 0.16 1.44 0.00 -1.26 0.15 120.51 126.33 1wyl n ALA 86 Ca 0.00 0.71 -0.14 0.00 0.00 0.00 0.00 53.44 54.01 1wyl n ALA 86 Cb 0.50 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.36 -0.79 0.00 5.75 -1.95 -2.93 115.11 114.84 1wyl h GLN 87 Ca 0.59 0.02 0.11 0.00 -0.15 0.00 0.00 58.65 59.22 1wyl h GLN 87 Cb 1.58 0.08 -0.08 0.00 1.07 0.00 0.00 27.48 30.14 1wyl h GLN 87 CO -0.53 -0.13 0.42 0.00 -2.65 0.00 0.00 178.83 175.94 1wyl h ALA 88 N 0.14 1.12 -0.07 3.38 0.00 0.10 0.23 119.26 124.15 1wyl h ALA 88 Ca -0.04 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1wyl h ALA 88 Cb 0.40 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1wyl h ALA 88 CO 0.06 -0.01 -0.40 0.28 0.00 0.00 0.00 179.25 179.19 1wyl h VAL 89 N 0.67 0.18 0.07 0.00 2.07 -1.21 0.95 116.25 118.99 1wyl h VAL 89 Ca 0.39 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.91 1wyl h VAL 89 Cb 0.44 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1wyl h VAL 89 CO -0.28 0.00 -0.04 0.58 0.02 0.00 0.00 177.57 177.85 1wyl h VAL 90 N -0.51 1.16 0.00 2.57 2.07 -1.27 -2.78 116.25 117.50 1wyl h VAL 90 Ca 0.07 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1wyl h VAL 90 Cb 0.62 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1wyl h VAL 90 CO -0.35 0.22 0.21 0.00 0.02 0.00 0.00 177.57 177.67 1wyl n ALA 91 N -2.35 0.74 -0.92 1.67 0.00 0.76 -4.74 120.51 115.66 1wyl n ALA 91 Ca -0.08 0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1wyl n ALA 91 Cb 0.23 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 1wyl n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyl n GLY 92 N -1.29 0.28 0.21 0.00 0.00 0.31 -4.79 105.19 99.91 1wyl n GLY 92 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.62 -3.84 1.61 4.64 -1.84 -3.34 113.55 111.39 1wyl h SER 93 Ca -0.06 -0.19 -0.71 0.00 -0.47 0.00 0.00 61.79 60.36 1wyl h SER 93 Cb 0.85 -0.16 -0.34 0.00 -0.31 0.00 0.00 62.40 62.44 1wyl h SER 93 CO 0.09 0.64 -0.20 -1.81 -0.87 0.00 0.00 176.83 174.68 1wyl s ASP 94 N -5.95 5.71 0.32 4.97 1.01 -1.26 -4.90 116.67 116.58 1wyl s ASP 94 Ca -0.13 -3.16 0.12 0.00 0.71 0.00 0.00 52.55 50.08 1wyl s ASP 94 Cb 0.11 -1.92 0.55 0.00 1.01 0.00 0.00 42.92 42.66 1wyl s ASP 94 CO 0.77 -0.32 1.72 1.55 0.21 0.00 0.00 175.17 179.10 1wyl h PRO 95 N 6.74 0.00 0.16 8.23 0.13 -1.90 -3.23 132.00 142.13 1wyl h PRO 95 Ca 0.06 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 1wyl h PRO 95 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1wyl h PRO 95 CO 0.77 0.49 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.89 1wyl h LEU 96 N 0.00 -0.18 -0.51 1.56 4.07 -1.95 -2.94 115.31 115.37 1wyl h LEU 96 Ca -0.00 -0.24 0.10 0.00 0.08 0.00 0.00 57.88 57.82 1wyl h LEU 96 Cb 0.86 0.05 -0.10 0.00 1.08 0.00 0.00 40.66 42.55 1wyl h LEU 96 CO 0.06 0.15 -0.26 1.23 -1.08 0.00 0.00 178.44 178.54 1wyl h GLY 97 N -0.52 0.04 0.21 0.83 0.00 -1.96 -1.49 103.07 100.19 1wyl h GLY 97 Ca -0.02 0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.66 1wyl h GLY 97 CO 0.04 -0.22 -0.44 -2.00 0.00 0.00 0.00 176.54 173.92 1wyl h LEU 98 N -0.14 -1.30 -0.64 3.11 5.85 -1.59 0.29 115.31 120.89 1wyl h LEU 98 Ca 0.23 0.15 0.13 0.00 0.84 0.00 0.00 57.88 59.22 1wyl h LEU 98 Cb 0.50 0.49 -0.12 0.00 0.37 0.00 0.00 40.66 41.90 1wyl h LEU 98 CO -0.59 -0.49 -0.19 0.40 -0.34 0.00 0.00 178.44 177.23 1wyl h ILE 99 N -0.64 0.31 -0.70 4.05 2.04 -1.21 0.85 117.51 122.21 1wyl h ILE 99 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 1wyl h ILE 99 Cb 0.68 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1wyl h ILE 99 CO -0.27 0.00 0.27 0.00 0.00 0.00 0.00 178.15 178.14 1wyl h ALA 100 N 1.55 0.91 -0.01 1.87 0.00 -0.70 -2.78 119.26 120.09 1wyl h ALA 100 Ca 0.30 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1wyl h ALA 100 Cb 0.49 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1wyl h ALA 100 CO -0.68 0.54 -0.23 -0.92 0.00 0.00 0.00 179.25 177.96 1wyl h TYR 101 N 1.00 -0.63 -0.79 0.00 3.20 0.19 -2.11 116.97 117.84 1wyl h TYR 101 Ca 0.23 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.23 1wyl h TYR 101 Cb 0.23 0.28 -0.08 0.00 1.54 0.00 0.00 36.73 38.70 1wyl h TYR 101 CO 0.02 -0.32 0.42 -0.07 -1.64 0.00 0.00 178.16 176.56 1wyl h LEU 102 N -0.36 0.57 -1.53 2.82 3.38 -1.11 -1.03 115.31 118.05 1wyl h LEU 102 Ca 0.06 0.06 0.44 0.00 0.09 0.00 0.00 57.88 58.54 1wyl h LEU 102 Cb 0.45 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 1wyl h LEU 102 CO -0.22 0.31 0.93 -1.28 0.09 0.00 0.00 178.44 178.28 1wyl h SER 103 N 0.69 0.20 -0.33 -0.43 0.87 -1.10 0.81 113.55 114.26 1wyl h SER 103 Ca 0.39 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 61.03 1wyl h SER 103 Cb 0.42 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1wyl h SER 103 CO -0.28 -0.13 0.11 0.45 -0.53 0.00 0.00 176.83 176.45 1wyl h HIS 104 N 0.08 0.54 0.41 2.24 3.86 -1.19 0.25 115.15 121.33 1wyl h HIS 104 Ca 0.82 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.96 1wyl h HIS 104 Cb 2.71 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 31.01 1wyl h HIS 104 CO -0.00 0.53 -0.30 0.74 0.86 0.00 0.00 177.93 179.75 1wyl h PHE 105 N 0.38 -0.81 0.75 2.45 -1.00 0.54 -2.54 116.94 116.72 1wyl h PHE 105 Ca 0.11 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.85 1wyl h PHE 105 Cb 0.25 0.30 0.01 0.00 3.61 0.00 0.00 35.95 40.11 1wyl h PHE 105 CO 0.01 -0.45 -0.36 1.25 -1.61 0.00 0.00 178.31 177.14 1wyl h HIS 106 N -0.70 -0.94 -0.73 -0.55 2.76 -1.46 0.25 115.15 113.77 1wyl h HIS 106 Ca -0.04 -0.02 0.29 0.00 -2.20 0.00 0.00 60.37 58.40 1wyl h HIS 106 Cb 0.60 0.31 -0.13 0.00 1.55 0.00 0.00 27.41 29.74 1wyl h HIS 106 CO -0.14 -0.58 0.35 0.45 -1.30 0.00 0.00 177.93 176.71 1wyl n SER 107 N -5.27 0.22 -0.06 3.26 2.88 0.88 0.22 113.62 115.75 1wyl n SER 107 Ca -0.13 1.21 -0.19 0.00 -1.33 0.00 0.00 58.87 58.44 1wyl n SER 107 Cb 0.40 -0.57 -0.13 0.00 -0.75 0.00 0.00 64.21 63.16 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 1.46 0.14 -0.38 -1.46 0.00 -1.33 -3.34 119.26 114.34 1wyl h ALA 108 Ca 0.60 -0.92 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 1wyl h ALA 108 Cb 1.56 0.40 -0.11 0.00 0.00 0.00 0.00 17.79 19.64 1wyl h ALA 108 CO -0.57 0.48 0.23 1.19 0.00 0.00 0.00 179.25 180.58 1wyl n PHE 109 N -4.35 1.19 -0.17 0.00 3.01 0.19 -4.38 117.46 112.95 1wyl n PHE 109 Ca -0.22 -0.94 0.09 0.00 1.01 0.00 0.00 57.45 57.39 1wyl n PHE 109 Cb 0.67 -0.50 0.41 0.00 -0.01 0.00 0.00 39.48 40.06 1wyl n PHE 109 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1wyl h LYS 110 N 0.58 0.61 -6.30 -1.08 1.79 0.25 -3.46 116.57 108.96 1wyl h LYS 110 Ca 0.22 -0.04 -0.46 0.00 -2.18 0.00 0.00 60.65 58.20 1wyl h LYS 110 Cb 1.67 -0.14 0.01 0.00 -1.58 0.00 0.00 32.23 32.19 1wyl h LYS 110 CO 0.41 0.40 -0.88 0.43 -1.08 0.00 0.00 179.45 178.74 1wyl n SER 111 N -4.49 -1.56 -4.32 0.86 7.64 -1.26 -4.98 113.62 105.51 1wyl n SER 111 Ca 0.12 -0.94 -0.20 0.00 1.01 0.00 0.00 58.87 58.85 1wyl n SER 111 Cb 0.33 -3.47 -0.10 0.00 -1.01 0.00 0.00 64.21 59.95 1wyl n SER 111 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wyl s GLY 112 N -4.20 2.05 0.00 0.23 0.00 -1.26 -5.02 107.32 99.11 1wyl s GLY 112 Ca 0.09 -1.84 0.14 0.00 0.00 0.00 0.00 44.72 43.11 1wyl s GLY 112 CO 0.86 -1.73 1.45 -1.55 0.00 0.00 0.00 173.10 172.12 1wyl n PRO 113 N -0.64 0.04 -2.23 2.90 -0.04 -1.26 -4.74 135.00 129.04 1wyl n PRO 113 Ca -0.02 0.23 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 1wyl n PRO 113 Cb 0.66 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 1wyl n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wyl s SER 114 N -2.91 6.85 -0.48 3.54 0.01 -1.26 -4.98 113.70 114.46 1wyl s SER 114 Ca 0.08 2.08 -0.17 0.00 1.31 0.00 0.00 55.95 59.26 1wyl s SER 114 Cb 0.09 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 63.84 1wyl s SER 114 CO 0.25 -0.73 0.47 -0.44 0.41 0.00 0.00 173.24 173.19 1wyl s SER 115 N 2.00 6.17 0.00 2.44 0.01 -1.26 -5.04 113.70 118.02 1wyl s SER 115 Ca 0.64 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1wyl s SER 115 Cb -0.31 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1wyl s SER 115 CO 0.26 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.79