#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 0.07 -0.08 1.61 1.04 -1.26 -5.16 113.70 109.93 1wyl s SER 2 Ca 0.00 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.63 1wyl s SER 2 Cb 0.00 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.54 1wyl s SER 2 CO 0.00 -0.82 0.01 -0.55 0.98 0.00 0.00 173.24 172.86 1wyl s SER 3 N -2.92 1.63 0.00 7.02 0.15 -1.26 -5.09 113.70 113.22 1wyl s SER 3 Ca 0.12 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1wyl s SER 3 Cb 0.04 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 1wyl s SER 3 CO -0.05 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1wyl n GLY 4 N 5.16 0.35 3.82 9.45 0.00 -1.26 -5.16 105.19 117.56 1wyl n GLY 4 Ca -0.07 0.67 -0.33 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 6.95 0.00 1.61 0.01 -1.26 -4.97 113.70 116.04 1wyl s SER 5 Ca 0.00 1.65 0.06 0.00 1.31 0.00 0.00 55.95 58.97 1wyl s SER 5 Cb 0.00 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.78 1wyl s SER 5 CO 0.00 -0.31 0.76 -1.54 0.41 0.00 0.00 173.24 172.56 1wyl n SER 6 N -0.49 1.66 -3.58 2.44 3.41 -1.26 -5.04 113.62 110.77 1wyl n SER 6 Ca 0.06 -1.37 -0.20 0.00 -0.26 0.00 0.00 58.87 57.09 1wyl n SER 6 Cb 0.54 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1wyl n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyl n GLY 7 N 0.28 -1.20 3.13 5.00 0.00 -1.26 -5.00 105.19 106.14 1wyl n GLY 7 Ca 0.04 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 46.46 1wyl n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wyl s THR 8 N -3.12 0.04 0.33 2.61 2.01 -1.26 -5.02 115.64 111.22 1wyl s THR 8 Ca 0.13 -0.30 0.20 0.00 0.31 0.00 0.00 61.69 62.03 1wyl s THR 8 Cb -0.05 -0.41 0.33 0.00 0.01 0.00 0.00 72.50 72.38 1wyl s THR 8 CO 0.85 -0.17 1.35 0.00 -0.69 0.00 0.00 174.62 175.96 1wyl n GLN 9 N 2.19 -0.05 -0.31 4.92 6.02 -1.26 -0.79 117.38 128.09 1wyl n GLN 9 Ca -0.17 1.16 -0.07 0.00 -0.01 0.00 0.00 57.00 57.90 1wyl n GLN 9 Cb 0.57 -2.12 -0.06 0.00 1.02 0.00 0.00 30.24 29.65 1wyl n GLN 9 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1wyl n GLU 10 N -4.82 -0.31 0.01 -1.09 0.00 -1.26 0.18 120.64 113.35 1wyl n GLU 10 Ca 0.33 1.14 -0.02 0.00 0.00 0.00 0.00 57.16 58.61 1wyl n GLU 10 Cb 1.15 -1.68 0.23 0.00 0.00 0.00 0.00 31.44 31.14 1wyl n GLU 10 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1wyl h GLU 11 N 0.00 0.49 0.62 5.31 4.11 -1.39 -2.81 114.58 120.90 1wyl h GLU 11 Ca 0.14 -0.16 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 1wyl h GLU 11 Cb 0.33 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1wyl h GLU 11 CO -0.72 0.65 -0.36 1.25 0.07 0.00 0.00 179.01 179.91 1wyl h LEU 12 N 0.45 -0.88 -0.37 3.06 5.85 0.19 0.89 115.31 124.49 1wyl h LEU 12 Ca 0.08 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1wyl h LEU 12 Cb 0.56 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 1wyl h LEU 12 CO 0.04 -0.57 -0.03 0.25 -0.34 0.00 0.00 178.44 177.79 1wyl h LEU 13 N -0.91 -0.21 -0.26 2.25 5.85 -0.47 0.06 115.31 121.63 1wyl h LEU 13 Ca -0.08 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1wyl h LEU 13 Cb 0.73 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1wyl h LEU 13 CO 0.09 -0.07 0.08 0.03 -0.34 0.00 0.00 178.44 178.24 1wyl h ARG 14 N 0.07 0.18 -0.42 1.25 2.47 -1.36 -0.63 114.38 115.94 1wyl h ARG 14 Ca 0.18 -0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.92 1wyl h ARG 14 Cb 0.26 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 1wyl h ARG 14 CO -0.33 0.12 0.20 2.35 0.56 0.00 0.00 179.97 182.88 1wyl h TRP 15 N 0.19 0.38 -0.87 3.04 7.01 -0.17 -2.01 115.95 123.52 1wyl h TRP 15 Ca 0.12 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1wyl h TRP 15 Cb 0.09 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.00 1wyl h TRP 15 CO -0.14 0.19 0.53 0.00 -2.79 0.00 0.00 178.44 176.23 1wyl h GLN 17 N 1.20 -1.11 -0.79 0.00 4.20 -0.43 0.34 115.11 118.52 1wyl h GLN 17 Ca 0.31 0.08 0.19 0.00 0.06 0.00 0.00 58.65 59.29 1wyl h GLN 17 Cb -0.06 0.25 -0.12 0.00 0.30 0.00 0.00 27.48 27.85 1wyl h GLN 17 CO -0.06 -0.74 0.17 0.93 -0.67 0.00 0.00 178.83 178.46 1wyl h GLU 18 N -1.15 0.22 -0.41 1.46 5.08 -1.34 0.68 114.58 119.12 1wyl h GLU 18 Ca -0.11 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1wyl h GLU 18 Cb 0.91 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1wyl h GLU 18 CO 0.14 0.14 -0.03 1.96 -1.00 0.00 0.00 179.01 180.22 1wyl h GLN 19 N 0.22 0.74 -0.89 2.33 1.08 -1.26 -2.81 115.11 114.52 1wyl h GLN 19 Ca 0.46 -0.25 -0.22 0.00 -1.45 0.00 0.00 58.65 57.19 1wyl h GLN 19 Cb 0.84 -0.06 -0.13 0.00 -0.05 0.00 0.00 27.48 28.09 1wyl h GLN 19 CO -0.59 0.84 0.28 0.25 -0.95 0.00 0.00 178.83 178.66 1wyl n THR 20 N -4.40 2.27 -3.26 -0.54 -2.24 0.12 -4.60 114.28 101.63 1wyl n THR 20 Ca -0.01 -1.17 -0.38 0.00 -2.27 0.00 0.00 64.05 60.21 1wyl n THR 20 Cb 0.31 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.23 3.49 0.00 6.98 0.00 0.21 -4.33 121.76 125.89 1wyl s ALA 21 Ca 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1wyl s ALA 21 Cb 0.31 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1wyl s ALA 21 CO 0.09 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.38 1wyl n GLY 22 N 2.71 2.85 2.92 0.00 0.00 -1.26 -5.03 105.19 107.38 1wyl n GLY 22 Ca -0.07 -0.74 -0.50 0.00 0.00 0.00 0.00 46.02 44.71 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 0.74 -2.16 1.61 4.19 -1.26 -4.80 117.16 115.48 1wyl n TYR 23 Ca 0.00 0.89 -0.42 0.00 3.31 0.00 0.00 57.90 61.67 1wyl n TYR 23 Cb 0.00 -1.74 -0.03 0.00 0.49 0.00 0.00 39.34 38.06 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 0.57 4.23 0.00 2.98 0.04 -1.26 -2.91 135.00 138.65 1wyl s PRO 24 Ca 0.77 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1wyl s PRO 24 Cb -1.09 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 29.70 1wyl s PRO 24 CO 0.52 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1wyl n GLY 25 N 3.83 3.05 3.59 0.56 0.00 -1.26 -5.01 105.19 109.95 1wyl n GLY 25 Ca 0.15 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.09 3.58 -0.60 1.61 1.01 -1.14 -4.92 120.40 117.85 1wyl s VAL 26 Ca 0.00 0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.60 1wyl s VAL 26 Cb 0.00 -3.86 0.19 0.00 0.00 0.00 0.00 36.38 32.71 1wyl s VAL 26 CO 0.00 -0.60 0.50 1.57 0.00 0.00 0.00 175.10 176.57 1wyl n HIS 27 N 10.19 1.97 -2.16 5.22 -0.00 -1.26 -4.83 115.22 124.35 1wyl n HIS 27 Ca 0.20 -3.97 -0.31 0.00 0.46 0.00 0.00 57.72 54.10 1wyl n HIS 27 Cb 0.48 -0.37 -0.05 0.00 -0.12 0.00 0.00 29.99 29.93 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 1.94 2.32 0.47 3.57 0.31 -1.26 -4.64 118.33 121.03 1wyl n VAL 28 Ca 0.24 -2.41 0.12 0.00 -0.01 0.00 0.00 64.34 62.29 1wyl n VAL 28 Cb 0.41 -2.21 0.23 0.00 -0.91 0.00 0.00 33.84 31.36 1wyl n VAL 28 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1wyl h SER 29 N 9.26 0.00 -3.80 4.52 0.87 -1.96 -3.47 113.55 118.97 1wyl h SER 29 Ca 0.27 -0.07 0.14 0.00 -1.23 0.00 0.00 61.79 60.90 1wyl h SER 29 Cb 0.92 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.64 1wyl h SER 29 CO 1.28 0.04 0.70 1.51 -0.53 0.00 0.00 176.83 179.82 1wyl s ASP 30 N -4.86 -0.25 -0.10 6.23 1.47 -1.26 -5.02 116.67 112.88 1wyl s ASP 30 Ca 0.07 0.25 0.00 0.00 1.18 0.00 0.00 52.55 54.05 1wyl s ASP 30 Cb 0.11 0.21 0.10 0.00 -0.34 0.00 0.00 42.92 43.00 1wyl s ASP 30 CO 0.68 -0.24 1.56 0.18 0.68 0.00 0.00 175.17 178.02 1wyl n LEU 31 N 0.59 4.66 0.00 2.11 4.32 -1.26 -3.40 117.00 124.01 1wyl n LEU 31 Ca -0.06 -2.29 0.00 0.00 -0.02 0.00 0.00 56.01 53.64 1wyl n LEU 31 Cb 0.58 -0.81 0.00 0.00 -1.62 0.00 0.00 43.42 41.57 1wyl n LEU 31 CO 0.13 0.83 0.00 -0.24 -1.22 0.00 0.00 177.39 176.88 1wyl n SER 32 N 0.60 0.00 -2.31 -1.43 2.88 -1.26 -4.76 113.62 107.34 1wyl n SER 32 Ca 0.11 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.42 1wyl n SER 32 Cb 0.63 -0.09 0.01 0.00 -0.75 0.00 0.00 64.21 64.01 1wyl n SER 32 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wyl n SER 33 N -2.17 4.48 0.00 -3.46 7.64 -1.26 -4.64 113.62 114.21 1wyl n SER 33 Ca 0.00 -3.60 0.00 0.00 1.01 0.00 0.00 58.87 56.28 1wyl n SER 33 Cb 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1wyl n SER 33 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wyl n SER 34 N -0.56 3.81 -0.09 6.43 7.64 -1.22 -4.70 113.62 124.94 1wyl n SER 34 Ca 0.38 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.37 1wyl n SER 34 Cb 0.80 0.60 0.06 0.00 -1.01 0.00 0.00 64.21 64.66 1wyl n SER 34 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1wyl n TRP 35 N -1.36 0.00 -0.05 1.43 7.02 -1.26 -4.35 117.44 118.87 1wyl n TRP 35 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1wyl n TRP 35 Cb 0.16 -0.09 -0.02 0.00 -2.42 0.00 0.00 31.31 28.94 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 3.18 0.16 -0.92 6.99 0.00 -1.84 -2.10 119.26 124.74 1wyl h ALA 36 Ca 0.00 0.08 0.34 0.00 0.00 0.00 0.00 54.91 55.34 1wyl h ALA 36 Cb 0.54 0.16 -0.17 0.00 0.00 0.00 0.00 17.79 18.31 1wyl h ALA 36 CO 0.00 -0.46 0.34 -0.40 0.00 0.00 0.00 179.25 178.73 1wyl n ASP 37 N -5.20 0.18 0.00 0.00 5.75 -1.26 -4.24 116.55 111.79 1wyl n ASP 37 Ca -0.02 1.55 0.00 0.00 -0.01 0.00 0.00 54.79 56.31 1wyl n ASP 37 Cb 0.13 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 1wyl n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wyl n GLY 38 N -1.32 3.16 0.33 6.12 0.00 -0.79 -4.34 105.19 108.36 1wyl n GLY 38 Ca 0.31 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 0.66 -0.71 0.99 3.38 -1.84 -2.55 115.31 115.25 1wyl h LEU 39 Ca 0.00 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1wyl h LEU 39 Cb 0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 1wyl h LEU 39 CO 0.00 0.24 -0.42 0.00 0.09 0.00 0.00 178.44 178.35 1wyl n ALA 40 N -2.38 -0.46 -0.20 1.53 0.00 -1.26 0.83 120.51 118.57 1wyl n ALA 40 Ca 0.21 0.60 0.11 0.00 0.00 0.00 0.00 53.44 54.37 1wyl n ALA 40 Cb 0.52 0.03 0.41 0.00 0.00 0.00 0.00 19.45 20.41 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 0.57 0.77 0.00 3.38 -1.73 -2.54 115.31 115.76 1wyl h LEU 41 Ca 0.11 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1wyl h LEU 41 Cb 0.29 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1wyl h LEU 41 CO -0.67 0.32 -0.37 0.00 0.09 0.00 0.00 178.44 177.81 1wyl h ALA 43 N -1.35 3.03 0.05 0.00 0.00 -0.16 0.42 119.26 121.26 1wyl h ALA 43 Ca -0.11 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1wyl h ALA 43 Cb 0.79 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.70 1wyl h ALA 43 CO 0.17 -1.46 -0.76 1.25 0.00 0.00 0.00 179.25 178.46 1wyl h LEU 44 N 0.08 0.57 0.50 0.00 5.85 -1.24 -2.86 115.31 118.21 1wyl h LEU 44 Ca 0.67 -0.82 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1wyl h LEU 44 Cb 2.42 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 43.28 1wyl h LEU 44 CO -0.12 1.33 -0.24 0.58 -0.34 0.00 0.00 178.44 179.65 1wyl h VAL 45 N -0.11 0.28 -0.13 1.05 2.07 0.12 -1.94 116.25 117.59 1wyl h VAL 45 Ca -0.11 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1wyl h VAL 45 Cb 1.49 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 1wyl h VAL 45 CO 0.15 0.05 -0.42 1.88 0.02 0.00 0.00 177.57 179.24 1wyl h TYR 46 N -1.05 -1.21 0.05 1.57 0.05 -0.70 -2.61 116.97 113.07 1wyl h TYR 46 Ca -0.07 0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.78 1wyl h TYR 46 Cb 0.60 0.55 -0.05 0.00 1.01 0.00 0.00 36.73 38.83 1wyl h TYR 46 CO 0.01 -0.48 -0.46 -0.09 -1.05 0.00 0.00 178.16 176.10 1wyl h ARG 47 N -0.50 -0.62 -0.97 4.88 9.65 -1.59 -0.98 114.38 124.25 1wyl h ARG 47 Ca 0.07 0.04 0.36 0.00 -1.10 0.00 0.00 59.98 59.35 1wyl h ARG 47 Cb 0.63 0.14 -0.12 0.00 -1.39 0.00 0.00 29.97 29.23 1wyl h ARG 47 CO -0.40 -0.41 0.59 1.28 2.80 0.00 0.00 179.97 183.83 1wyl n LEU 48 N -5.47 0.21 -3.50 3.80 4.77 -0.73 -3.66 117.00 112.42 1wyl n LEU 48 Ca -0.07 1.17 -0.17 0.00 -0.03 0.00 0.00 56.01 56.91 1wyl n LEU 48 Cb 0.39 -0.57 -0.13 0.00 -2.33 0.00 0.00 43.42 40.77 1wyl n LEU 48 CO 0.16 -1.29 -0.19 -1.10 -1.33 0.00 0.00 177.39 173.64 1wyl s GLN 49 N -5.01 0.19 0.39 3.23 -0.21 -0.38 -5.02 119.66 112.86 1wyl s GLN 49 Ca -0.06 0.27 0.18 0.00 0.02 0.00 0.00 55.36 55.77 1wyl s GLN 49 Cb 0.25 -1.05 0.81 0.00 1.00 0.00 0.00 33.01 34.02 1wyl s GLN 49 CO 0.63 -0.62 1.81 -1.00 -2.12 0.00 0.00 175.29 174.00 1wyl h PRO 50 N 8.31 0.00 -0.61 2.91 0.13 -1.62 -3.20 132.00 137.92 1wyl h PRO 50 Ca -0.17 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.07 1wyl h PRO 50 Cb 1.15 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 1wyl h PRO 50 CO 0.27 0.34 0.15 0.78 -0.23 0.00 0.00 178.00 179.31 1wyl h GLY 51 N 1.61 0.81 -2.12 1.56 0.00 -1.94 -3.42 103.07 99.57 1wyl h GLY 51 Ca -0.00 -0.05 -0.56 0.00 0.00 0.00 0.00 47.33 46.72 1wyl h GLY 51 CO 0.04 -0.10 0.28 1.04 0.00 0.00 0.00 176.54 177.80 1wyl n LEU 52 N -5.10 4.54 0.00 3.11 4.77 -1.21 -4.96 117.00 118.15 1wyl n LEU 52 Ca 0.09 0.73 -0.14 0.00 -0.03 0.00 0.00 56.01 56.66 1wyl n LEU 52 Cb 0.32 -1.47 0.13 0.00 -2.33 0.00 0.00 43.42 40.08 1wyl n LEU 52 CO 0.18 -1.62 0.15 0.00 -1.33 0.00 0.00 177.39 174.78 1wyl n LEU 53 N -1.89 0.00 -4.64 2.23 -0.00 -1.26 -5.02 117.00 106.42 1wyl n LEU 53 Ca 0.14 -0.39 -0.23 0.00 -0.00 0.00 0.00 56.01 55.53 1wyl n LEU 53 Cb 0.49 -0.68 -0.07 0.00 -0.00 0.00 0.00 43.42 43.16 1wyl n LEU 53 CO 0.48 -2.31 -0.31 -1.61 -0.00 0.00 0.00 177.39 173.63 1wyl s GLU 54 N -3.32 2.22 0.00 1.47 2.02 -1.26 -4.95 118.70 114.89 1wyl s GLU 54 Ca 0.30 -1.52 0.08 0.00 0.02 0.00 0.00 54.97 53.85 1wyl s GLU 54 Cb -0.05 -2.10 0.47 0.00 0.10 0.00 0.00 34.13 32.56 1wyl s GLU 54 CO 0.25 0.28 0.92 -0.35 0.02 0.00 0.00 175.26 176.39 1wyl n PRO 55 N -0.93 0.49 -0.30 0.39 -0.04 -1.26 -4.10 135.00 129.25 1wyl n PRO 55 Ca -0.05 0.00 0.26 0.00 -0.04 0.00 0.00 63.50 63.66 1wyl n PRO 55 Cb 0.60 -1.25 0.43 0.00 -0.04 0.00 0.00 33.50 33.24 1wyl n PRO 55 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wyl n SER 56 N -0.75 0.13 -0.00 3.54 3.41 -1.26 0.23 113.62 118.92 1wyl n SER 56 Ca 0.06 0.87 -0.21 0.00 -0.26 0.00 0.00 58.87 59.33 1wyl n SER 56 Cb 0.03 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.41 1wyl n SER 56 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1wyl h GLU 57 N 0.00 0.22 -1.01 4.33 5.08 -2.03 -3.35 114.58 117.82 1wyl h GLU 57 Ca 0.56 -0.38 0.23 0.00 -1.00 0.00 0.00 59.36 58.77 1wyl h GLU 57 Cb 1.81 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 31.09 1wyl h GLU 57 CO -0.29 1.18 0.63 -0.07 -1.00 0.00 0.00 179.01 179.46 1wyl h LEU 58 N -0.36 0.61 -0.79 1.33 4.07 0.26 -1.78 115.31 118.65 1wyl h LEU 58 Ca -0.30 0.10 0.14 0.00 0.08 0.00 0.00 57.88 57.90 1wyl h LEU 58 Cb 1.71 -0.00 -0.14 0.00 1.08 0.00 0.00 40.66 43.31 1wyl h LEU 58 CO 0.04 0.16 -0.24 0.00 -1.08 0.00 0.00 178.44 177.32 1wyl n GLN 59 N -4.73 -0.12 0.08 1.13 10.64 -0.36 -0.42 117.38 123.61 1wyl n GLN 59 Ca 0.25 1.23 -0.22 0.00 -1.83 0.00 0.00 57.00 56.43 1wyl n GLN 59 Cb 0.73 -1.83 -0.15 0.00 -0.86 0.00 0.00 30.24 28.13 1wyl n GLN 59 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1wyl h GLY 60 N 0.00 0.43 -3.21 2.61 0.00 -1.58 -3.47 103.07 97.86 1wyl h GLY 60 Ca 0.34 -1.10 -0.52 0.00 0.00 0.00 0.00 47.33 46.04 1wyl h GLY 60 CO -0.80 0.97 -1.36 1.04 0.00 0.00 0.00 176.54 176.38 1wyl n LEU 61 N -3.96 -4.37 -4.69 3.11 4.77 0.44 -4.93 117.00 107.38 1wyl n LEU 61 Ca -0.16 0.39 -0.30 0.00 -0.03 0.00 0.00 56.01 55.91 1wyl n LEU 61 Cb 0.93 -0.73 0.23 0.00 -2.33 0.00 0.00 43.42 41.52 1wyl n LEU 61 CO 0.52 -4.91 0.70 -0.83 -1.33 0.00 0.00 177.39 171.54 1wyl s GLY 62 N -0.91 1.65 0.29 -0.72 0.00 -1.26 -4.81 107.32 101.56 1wyl s GLY 62 Ca 0.44 -1.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.04 1wyl s GLY 62 CO 0.67 -0.22 1.93 0.00 0.00 0.00 0.00 173.10 175.49 1wyl h ALA 63 N -2.39 1.42 0.00 3.20 0.00 -1.92 -2.71 119.26 116.86 1wyl h ALA 63 Ca -0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1wyl h ALA 63 Cb 1.27 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1wyl h ALA 63 CO 0.32 0.48 -0.00 1.25 0.00 0.00 0.00 179.25 181.30 1wyl h LEU 64 N 1.14 -0.00 -1.83 0.00 5.85 -1.88 -3.30 115.31 115.29 1wyl h LEU 64 Ca 0.37 -0.92 0.50 0.00 0.84 0.00 0.00 57.88 58.66 1wyl h LEU 64 Cb 0.03 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 40.97 1wyl h LEU 64 CO -0.11 0.96 1.17 -0.33 -0.34 0.00 0.00 178.44 179.78 1wyl h GLU 65 N -1.00 0.02 0.17 1.25 4.39 -1.88 -0.75 114.58 116.78 1wyl h GLU 65 Ca -0.00 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1wyl h GLU 65 Cb 0.92 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1wyl h GLU 65 CO 0.00 0.02 -0.08 0.00 -1.16 0.00 0.00 179.01 177.78 1wyl h ALA 66 N 1.24 -0.56 -1.23 3.43 0.00 -1.56 -3.25 119.26 117.34 1wyl h ALA 66 Ca 0.85 -0.05 0.42 0.00 0.00 0.00 0.00 54.91 56.13 1wyl h ALA 66 Cb 3.19 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 20.93 1wyl h ALA 66 CO -0.13 -0.54 0.76 1.15 0.00 0.00 0.00 179.25 180.50 1wyl h THR 67 N -0.39 0.10 -0.46 0.00 2.02 -1.24 0.52 112.91 113.47 1wyl h THR 67 Ca -0.02 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.21 1wyl h THR 67 Cb 0.17 0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 66.53 1wyl h THR 67 CO 0.04 0.02 0.07 0.00 0.37 0.00 0.00 175.52 176.01 1wyl h ALA 68 N 1.71 0.49 0.89 6.16 0.00 -1.41 -1.98 119.26 125.12 1wyl h ALA 68 Ca 0.82 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.80 1wyl h ALA 68 Cb 2.44 0.15 0.01 0.00 0.00 0.00 0.00 17.79 20.40 1wyl h ALA 68 CO -0.51 -0.33 -0.43 2.35 0.00 0.00 0.00 179.25 180.33 1wyl h TRP 69 N 0.20 -1.10 -0.85 0.00 7.01 0.02 -2.23 115.95 118.99 1wyl h TRP 69 Ca 0.23 -0.03 0.13 0.00 2.11 0.00 0.00 58.89 61.33 1wyl h TRP 69 Cb 0.31 0.37 -0.14 0.00 -2.10 0.00 0.00 29.16 27.59 1wyl h TRP 69 CO -0.24 -0.68 -0.39 0.00 -2.79 0.00 0.00 178.44 174.34 1wyl h ALA 70 N -1.09 0.02 -0.09 2.65 0.00 -1.36 1.43 119.26 120.82 1wyl h ALA 70 Ca -0.12 0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1wyl h ALA 70 Cb 0.91 0.97 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 1wyl h ALA 70 CO 0.20 -0.68 0.08 -0.07 0.00 0.00 0.00 179.25 178.78 1wyl h LEU 71 N -0.06 0.00 0.00 0.00 3.38 -1.29 0.16 115.31 117.49 1wyl h LEU 71 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1wyl h LEU 71 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1wyl h LEU 71 CO -0.88 0.00 -0.00 0.50 0.09 0.00 0.00 178.44 178.15 1wyl h LYS 72 N 0.00 -0.00 -0.59 1.13 3.64 0.24 -1.89 116.57 119.11 1wyl h LYS 72 Ca 0.04 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.59 1wyl h LYS 72 Cb 0.20 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1wyl h LYS 72 CO -0.00 -0.00 0.63 0.28 -2.27 0.00 0.00 179.45 178.09 1wyl h VAL 73 N -0.05 0.29 0.18 2.00 2.07 -0.60 0.74 116.25 120.88 1wyl h VAL 73 Ca -0.00 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.25 1wyl h VAL 73 Cb 0.00 0.50 0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1wyl h VAL 73 CO 0.00 0.00 -1.23 0.00 0.02 0.00 0.00 177.57 176.37 1wyl h ALA 74 N 1.29 -0.04 0.00 1.67 0.00 -1.08 -1.41 119.26 119.70 1wyl h ALA 74 Ca 0.28 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wyl h ALA 74 Cb 1.54 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1wyl h ALA 74 CO -0.00 0.62 0.00 1.49 0.00 0.00 0.00 179.25 181.36 1wyl h GLU 75 N -0.15 0.00 0.00 0.00 4.22 0.18 2.00 114.58 120.83 1wyl h GLU 75 Ca -0.23 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.19 1wyl h GLU 75 Cb 1.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 1wyl h GLU 75 CO 0.18 0.00 -0.71 0.09 -2.18 0.00 0.00 179.01 176.39 1wyl n ASN 76 N -2.58 1.84 -0.01 1.04 3.02 0.23 -3.95 115.26 114.85 1wyl n ASN 76 Ca 0.05 0.55 -0.00 0.00 -0.03 0.00 0.00 54.58 55.14 1wyl n ASN 76 Cb 0.45 -0.85 -0.00 0.00 -0.61 0.00 0.00 39.78 38.77 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 0.00 -0.05 3.52 5.08 -1.40 -3.36 114.58 117.38 1wyl h GLU 77 Ca -0.03 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1wyl h GLU 77 Cb 0.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1wyl h GLU 77 CO -0.02 0.00 0.11 -0.07 -1.00 0.00 0.00 179.01 178.03 1wyl h LEU 78 N -0.09 0.00 0.71 1.33 3.38 -1.37 -3.45 115.31 115.81 1wyl h LEU 78 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1wyl h LEU 78 Cb 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.65 1wyl h LEU 78 CO 0.00 0.00 -0.26 0.61 0.09 0.00 0.00 178.44 178.88 1wyl n GLY 79 N -1.23 1.42 3.54 0.83 0.00 0.63 -4.92 105.19 105.47 1wyl n GLY 79 Ca -0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.53 4.25 0.08 -0.61 -1.09 0.14 -4.84 121.20 116.59 1wyl s ILE 80 Ca 0.00 -1.53 -0.30 0.00 -2.23 0.00 0.00 60.65 56.58 1wyl s ILE 80 Cb 0.00 -5.05 -0.16 0.00 -1.58 0.00 0.00 42.46 35.66 1wyl s ILE 80 CO 0.00 -1.87 0.72 0.41 -1.23 0.00 0.00 174.94 172.97 1wyl n THR 81 N 6.23 0.75 -2.05 2.92 -1.04 -1.26 -4.01 114.28 115.82 1wyl n THR 81 Ca 0.38 -0.19 -0.29 0.00 -2.04 0.00 0.00 64.05 61.91 1wyl n THR 81 Cb 0.48 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.94 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 -0.38 2.58 0.52 -2.82 0.04 -1.26 -4.79 135.00 128.89 1wyl s PRO 82 Ca 0.69 -0.09 0.30 0.00 0.04 0.00 0.00 61.00 61.94 1wyl s PRO 82 Cb -0.98 -4.91 1.37 0.00 0.04 0.00 0.00 34.50 30.02 1wyl s PRO 82 CO 0.49 -3.23 2.01 -0.24 0.04 0.00 0.00 177.00 176.07 1wyl h VAL 83 N 7.17 0.34 -3.82 -0.36 3.04 -1.95 -3.42 116.25 117.26 1wyl h VAL 83 Ca 0.02 -0.65 -0.48 0.00 -1.01 0.00 0.00 66.70 64.57 1wyl h VAL 83 Cb 1.04 1.48 -0.31 0.00 -2.01 0.00 0.00 31.29 31.49 1wyl h VAL 83 CO 1.21 0.10 -0.81 -0.69 -1.01 0.00 0.00 177.57 176.38 1wyl s VAL 84 N -3.88 1.05 0.54 1.51 1.01 -1.26 -5.01 120.40 114.36 1wyl s VAL 84 Ca -0.01 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 1wyl s VAL 84 Cb 0.11 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1wyl s VAL 84 CO 0.57 0.32 1.28 -0.55 0.00 0.00 0.00 175.10 176.71 1wyl s SER 85 N 0.17 5.40 0.34 3.32 0.15 -1.26 -4.85 113.70 116.97 1wyl s SER 85 Ca -0.04 2.57 0.08 0.00 0.70 0.00 0.00 55.95 59.26 1wyl s SER 85 Cb -0.10 -2.62 0.77 0.00 -1.71 0.00 0.00 66.02 62.36 1wyl s SER 85 CO 0.01 -1.47 1.85 0.00 1.20 0.00 0.00 173.24 174.83 1wyl h ALA 86 N 1.40 1.77 0.15 5.45 0.00 -1.97 -1.99 119.26 124.08 1wyl h ALA 86 Ca -0.50 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1wyl h ALA 86 Cb 1.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1wyl h ALA 86 CO 0.57 -0.04 -0.07 0.37 0.00 0.00 0.00 179.25 180.07 1wyl h GLN 87 N 0.74 -0.20 -0.57 0.00 -0.00 -1.96 -2.75 115.11 110.38 1wyl h GLN 87 Ca 0.48 0.01 0.11 0.00 -0.00 0.00 0.00 58.65 59.26 1wyl h GLN 87 Cb 0.74 0.05 -0.10 0.00 0.00 0.00 0.00 27.48 28.17 1wyl h GLN 87 CO -0.24 0.10 -0.02 0.00 0.00 0.00 0.00 178.83 178.67 1wyl h ALA 88 N 0.27 0.52 0.22 3.38 0.00 -1.75 0.94 119.26 122.84 1wyl h ALA 88 Ca -0.02 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1wyl h ALA 88 Cb 0.40 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1wyl h ALA 88 CO 0.03 -0.40 -0.37 0.28 0.00 0.00 0.00 179.25 178.80 1wyl h VAL 89 N 0.09 0.24 0.28 0.00 2.07 -1.37 -0.65 116.25 116.91 1wyl h VAL 89 Ca 0.29 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.79 1wyl h VAL 89 Cb 0.45 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1wyl h VAL 89 CO -0.50 0.00 -0.13 0.58 0.02 0.00 0.00 177.57 177.54 1wyl h VAL 90 N -0.67 0.00 -0.84 2.57 2.07 -1.09 -3.21 116.25 115.09 1wyl h VAL 90 Ca 0.00 -0.19 0.34 0.00 0.82 0.00 0.00 66.70 67.68 1wyl h VAL 90 Cb 0.65 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.27 1wyl h VAL 90 CO -0.15 0.00 0.43 0.00 0.02 0.00 0.00 177.57 177.86 1wyl n ALA 91 N -2.33 0.84 -2.00 1.67 0.00 0.32 -4.72 120.51 114.29 1wyl n ALA 91 Ca -0.05 0.86 0.00 0.00 0.00 0.00 0.00 53.44 54.25 1wyl n ALA 91 Cb 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.23 0.92 0.13 0.00 0.00 -0.26 -5.01 105.19 99.74 1wyl n GLY 92 Ca 0.31 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 1wyl n GLY 92 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wyl n SER 93 N 1.03 1.98 -4.19 1.61 2.88 -1.13 -4.74 113.62 111.05 1wyl n SER 93 Ca 0.00 0.15 -0.40 0.00 -1.33 0.00 0.00 58.87 57.28 1wyl n SER 93 Cb 0.41 -0.69 -0.06 0.00 -0.75 0.00 0.00 64.21 63.12 1wyl n SER 93 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1wyl s ASP 94 N -6.96 6.06 0.34 -3.46 1.01 -1.26 -4.89 116.67 107.51 1wyl s ASP 94 Ca -0.33 -3.09 0.13 0.00 0.71 0.00 0.00 52.55 49.97 1wyl s ASP 94 Cb 0.10 -2.01 0.61 0.00 1.01 0.00 0.00 42.92 42.63 1wyl s ASP 94 CO 0.60 -0.37 1.74 1.55 0.21 0.00 0.00 175.17 178.90 1wyl h PRO 95 N 6.96 0.00 -0.10 8.23 0.13 -1.90 -3.18 132.00 142.15 1wyl h PRO 95 Ca 0.08 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.78 0.46 -0.26 -0.07 -0.23 0.00 0.00 178.00 178.68 1wyl h LEU 96 N 0.00 0.40 -0.39 1.56 4.07 -1.94 -3.18 115.31 115.83 1wyl h LEU 96 Ca -0.00 -0.59 0.08 0.00 0.08 0.00 0.00 57.88 57.45 1wyl h LEU 96 Cb 0.84 -0.12 -0.09 0.00 1.08 0.00 0.00 40.66 42.37 1wyl h LEU 96 CO 0.06 0.92 -0.25 1.23 -1.08 0.00 0.00 178.44 179.31 1wyl h GLY 97 N -0.11 -0.06 0.25 0.83 0.00 -1.95 -2.46 103.07 99.57 1wyl h GLY 97 Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1wyl h GLY 97 CO 0.06 -0.21 -0.52 -2.00 0.00 0.00 0.00 176.54 173.87 1wyl h LEU 98 N -0.19 -1.53 -1.00 3.11 5.85 -1.64 0.68 115.31 120.60 1wyl h LEU 98 Ca 0.19 0.15 0.40 0.00 0.84 0.00 0.00 57.88 59.45 1wyl h LEU 98 Cb 0.48 0.55 -0.18 0.00 0.37 0.00 0.00 40.66 41.88 1wyl h LEU 98 CO -0.50 -0.60 0.51 0.40 -0.34 0.00 0.00 178.44 177.91 1wyl h ILE 99 N -0.84 0.04 0.15 4.05 2.04 -1.44 0.12 117.51 121.62 1wyl h ILE 99 Ca -0.03 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1wyl h ILE 99 Cb 0.80 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1wyl h ILE 99 CO -0.21 0.01 -0.07 0.00 0.00 0.00 0.00 178.15 177.87 1wyl h ALA 100 N 1.98 -0.20 -0.97 1.87 0.00 -0.83 -3.19 119.26 117.92 1wyl h ALA 100 Ca 0.82 -0.23 0.29 0.00 0.00 0.00 0.00 54.91 55.79 1wyl h ALA 100 Cb 2.09 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 19.79 1wyl h ALA 100 CO -0.76 -0.27 0.17 -0.92 0.00 0.00 0.00 179.25 177.46 1wyl h TYR 101 N -0.87 0.20 -0.53 0.00 3.20 0.15 1.39 116.97 120.49 1wyl h TYR 101 Ca -0.02 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1wyl h TYR 101 Cb 0.53 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1wyl h TYR 101 CO 0.09 -0.39 0.23 -0.07 -1.64 0.00 0.00 178.16 176.38 1wyl h LEU 102 N 0.05 0.68 -0.95 2.82 3.38 -1.37 -2.52 115.31 117.40 1wyl h LEU 102 Ca 0.63 -0.07 0.18 0.00 0.09 0.00 0.00 57.88 58.72 1wyl h LEU 102 Cb 1.39 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.86 1wyl h LEU 102 CO -0.84 0.60 0.53 -1.28 0.09 0.00 0.00 178.44 177.55 1wyl h SER 103 N 0.75 0.65 -0.93 -0.43 0.87 0.19 0.93 113.55 115.59 1wyl h SER 103 Ca 0.18 0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.88 1wyl h SER 103 Cb 0.12 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 1wyl h SER 103 CO -0.02 0.22 0.61 0.45 -0.53 0.00 0.00 176.83 177.55 1wyl h HIS 104 N 0.67 1.14 0.15 2.24 3.86 -1.36 0.55 115.15 122.40 1wyl h HIS 104 Ca 0.55 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.78 1wyl h HIS 104 Cb 0.87 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1wyl h HIS 104 CO -0.05 0.67 -0.07 0.74 0.86 0.00 0.00 177.93 180.08 1wyl h PHE 105 N 1.19 -0.19 0.37 2.45 -1.00 -0.91 -2.84 116.94 116.01 1wyl h PHE 105 Ca 0.36 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.12 1wyl h PHE 105 Cb -0.03 0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.59 1wyl h PHE 105 CO -0.01 0.02 -0.18 1.25 -1.61 0.00 0.00 178.31 177.78 1wyl h HIS 106 N -0.37 -0.46 -1.10 -0.55 2.76 -1.15 0.36 115.15 114.64 1wyl h HIS 106 Ca -0.02 -0.01 0.37 0.00 -2.20 0.00 0.00 60.37 58.51 1wyl h HIS 106 Cb 0.30 0.15 -0.10 0.00 1.55 0.00 0.00 27.41 29.31 1wyl h HIS 106 CO -0.02 -0.28 0.73 0.43 -1.30 0.00 0.00 177.93 177.49 1wyl n SER 107 N -4.10 0.13 -0.06 3.26 7.64 0.19 0.10 113.62 120.78 1wyl n SER 107 Ca -0.06 0.98 -0.22 0.00 1.01 0.00 0.00 58.87 60.58 1wyl n SER 107 Cb 0.19 -0.48 -0.12 0.00 -1.01 0.00 0.00 64.21 62.79 1wyl n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wyl n ALA 108 N -2.57 0.88 -1.08 -0.43 0.00 -1.07 -4.27 120.51 111.97 1wyl n ALA 108 Ca 0.31 -0.59 -0.24 0.00 0.00 0.00 0.00 53.44 52.91 1wyl n ALA 108 Cb 1.23 -0.54 0.05 0.00 0.00 0.00 0.00 19.45 20.19 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 -4.00 2.25 -0.00 0.00 3.72 0.28 -4.58 117.46 115.14 1wyl n PHE 109 Ca -0.34 -2.41 -0.11 0.00 -0.05 0.00 0.00 57.45 54.53 1wyl n PHE 109 Cb 0.85 -1.17 -0.06 0.00 -0.94 0.00 0.00 39.48 38.17 1wyl n PHE 109 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1wyl h LYS 110 N 1.71 0.12 -6.18 -1.08 1.79 -0.03 -3.39 116.57 109.52 1wyl h LYS 110 Ca 0.42 -0.01 -0.52 0.00 -2.18 0.00 0.00 60.65 58.36 1wyl h LYS 110 Cb 0.86 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.44 1wyl h LYS 110 CO 1.11 0.14 1.22 0.45 -1.08 0.00 0.00 179.45 181.30 1wyl s SER 111 N -5.35 5.70 0.00 0.86 0.15 -1.26 -4.96 113.70 108.85 1wyl s SER 111 Ca -0.13 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1wyl s SER 111 Cb 0.07 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1wyl s SER 111 CO 0.68 -2.08 0.00 0.61 1.20 0.00 0.00 173.24 173.65 1wyl n GLY 112 N 5.52 3.66 0.00 9.45 0.00 -1.26 -4.97 105.19 117.59 1wyl n GLY 112 Ca 0.14 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 44.24 1wyl n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wyl n PRO 113 N 0.00 0.25 -1.84 1.61 -0.04 -1.26 -4.73 135.00 128.99 1wyl n PRO 113 Ca 0.00 0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 63.16 1wyl n PRO 113 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1wyl n PRO 113 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wyl s SER 114 N -2.49 5.68 0.94 3.54 1.04 -1.26 -4.94 113.70 116.21 1wyl s SER 114 Ca 0.15 1.50 -0.14 0.00 0.48 0.00 0.00 55.95 57.95 1wyl s SER 114 Cb 0.10 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.71 1wyl s SER 114 CO 0.22 -1.84 0.25 -0.24 0.98 0.00 0.00 173.24 172.60 1wyl n SER 115 N 10.99 -2.57 0.00 7.02 2.88 -1.26 -5.12 113.62 125.57 1wyl n SER 115 Ca 0.26 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1wyl n SER 115 Cb 0.46 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1wyl n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42