#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 5.03 0.03 1.61 1.04 -1.26 -4.96 113.70 115.19 1wyl s SER 2 Ca 0.00 2.49 -0.30 0.00 0.48 0.00 0.00 55.95 58.62 1wyl s SER 2 Cb 0.00 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 1wyl s SER 2 CO 0.00 -1.71 0.99 -0.94 0.98 0.00 0.00 173.24 172.57 1wyl s SER 3 N -1.47 7.38 0.00 7.02 1.04 -1.26 -4.91 113.70 121.50 1wyl s SER 3 Ca 0.78 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.93 1wyl s SER 3 Cb -0.33 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.21 1wyl s SER 3 CO 0.36 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1wyl n GLY 4 N 2.76 0.00 0.45 7.32 0.00 -1.26 -4.84 105.19 109.61 1wyl n GLY 4 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1wyl n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wyl h SER 5 N 0.00 -1.72 -2.23 1.61 0.87 -2.01 -3.31 113.55 106.76 1wyl h SER 5 Ca 0.00 0.22 -0.58 0.00 -1.23 0.00 0.00 61.79 60.21 1wyl h SER 5 Cb 0.71 0.70 -0.10 0.00 -0.44 0.00 0.00 62.40 63.27 1wyl h SER 5 CO 0.00 -0.42 1.00 -0.55 -0.53 0.00 0.00 176.83 176.32 1wyl s SER 6 N -4.99 6.24 0.00 6.23 0.15 -1.26 -4.82 113.70 115.25 1wyl s SER 6 Ca -0.15 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.68 1wyl s SER 6 Cb 0.09 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1wyl s SER 6 CO 0.62 -1.65 0.00 0.61 1.20 0.00 0.00 173.24 174.02 1wyl n GLY 7 N 5.61 3.16 3.88 9.45 0.00 -1.25 -5.04 105.19 121.01 1wyl n GLY 7 Ca 0.07 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 1.14 5.40 0.61 2.61 2.01 -1.26 -4.95 115.64 121.19 1wyl s THR 8 Ca 0.00 0.15 0.26 0.00 0.31 0.00 0.00 61.69 62.41 1wyl s THR 8 Cb 0.00 -3.51 0.35 0.00 0.01 0.00 0.00 72.50 69.35 1wyl s THR 8 CO 0.00 0.47 1.54 0.06 -0.69 0.00 0.00 174.62 176.00 1wyl h GLN 9 N 4.38 0.00 -0.78 4.92 3.07 -2.00 -0.49 115.11 124.20 1wyl h GLN 9 Ca -0.52 0.00 0.18 0.00 0.09 0.00 0.00 58.65 58.40 1wyl h GLN 9 Cb 1.21 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 28.63 1wyl h GLN 9 CO 0.63 0.00 -0.05 1.05 0.09 0.00 0.00 178.83 180.56 1wyl h GLU 10 N 0.00 0.06 -1.05 0.06 4.11 -2.00 0.54 114.58 116.31 1wyl h GLU 10 Ca 0.31 -0.00 0.27 0.00 0.07 0.00 0.00 59.36 60.01 1wyl h GLU 10 Cb 2.04 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 31.17 1wyl h GLU 10 CO -0.00 0.04 0.67 1.49 0.07 0.00 0.00 179.01 181.27 1wyl h GLU 11 N 0.07 0.39 -0.07 1.06 4.22 -1.48 0.28 114.58 119.05 1wyl h GLU 11 Ca 0.42 -0.02 -0.23 0.00 0.08 0.00 0.00 59.36 59.61 1wyl h GLU 11 Cb 0.73 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.90 1wyl h GLU 11 CO -0.73 0.26 -0.87 1.25 -2.18 0.00 0.00 179.01 176.74 1wyl h LEU 12 N 0.41 0.76 -0.45 1.64 5.85 -0.13 -3.15 115.31 120.24 1wyl h LEU 12 Ca 0.61 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1wyl h LEU 12 Cb 1.52 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 1wyl h LEU 12 CO -0.33 1.34 0.29 0.25 -0.34 0.00 0.00 178.44 179.64 1wyl h LEU 13 N 0.39 0.48 0.24 2.25 5.85 0.19 -1.88 115.31 122.83 1wyl h LEU 13 Ca -0.07 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1wyl h LEU 13 Cb 1.50 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1wyl h LEU 13 CO 0.17 0.35 -0.28 0.03 -0.34 0.00 0.00 178.44 178.36 1wyl h ARG 14 N 0.58 -0.55 -0.60 1.25 2.47 -1.29 0.12 114.38 116.37 1wyl h ARG 14 Ca 0.17 0.04 0.11 0.00 -1.26 0.00 0.00 59.98 59.03 1wyl h ARG 14 Cb -0.04 0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 28.33 1wyl h ARG 14 CO -0.05 -0.36 0.16 2.35 0.56 0.00 0.00 179.97 182.62 1wyl h TRP 15 N -0.57 0.26 -0.46 3.04 7.01 -1.48 -1.45 115.95 122.30 1wyl h TRP 15 Ca 0.00 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 1wyl h TRP 15 Cb 0.54 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 1wyl h TRP 15 CO -0.20 0.01 0.22 0.00 -2.79 0.00 0.00 178.44 175.68 1wyl h GLN 17 N 0.59 0.67 -0.23 0.00 4.20 0.26 0.28 115.11 120.88 1wyl h GLN 17 Ca 0.16 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 1wyl h GLN 17 Cb 0.13 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1wyl h GLN 17 CO -0.02 0.44 -0.36 0.93 -0.67 0.00 0.00 178.83 179.15 1wyl h GLU 18 N 0.69 0.65 0.57 1.46 5.08 -0.95 -1.95 114.58 120.13 1wyl h GLU 18 Ca 0.46 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1wyl h GLU 18 Cb 0.75 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.04 1wyl h GLU 18 CO -0.21 1.01 -0.27 1.96 -1.00 0.00 0.00 179.01 180.49 1wyl h GLN 19 N 0.35 -0.74 -0.01 2.33 1.08 -0.67 -3.01 115.11 114.44 1wyl h GLN 19 Ca 0.02 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1wyl h GLN 19 Cb 0.95 0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1wyl h GLN 19 CO 0.08 -0.45 0.11 1.79 -0.95 0.00 0.00 178.83 179.42 1wyl h THR 20 N -1.14 0.06 -2.46 -0.54 1.35 -0.62 -3.43 112.91 106.14 1wyl h THR 20 Ca -0.08 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.23 1wyl h THR 20 Cb 0.63 0.89 0.06 0.00 -1.73 0.00 0.00 68.15 67.99 1wyl h THR 20 CO 0.13 0.00 0.94 0.00 -0.25 0.00 0.00 175.52 176.34 1wyl n ALA 21 N -2.05 2.11 0.00 6.62 0.00 -0.73 -2.67 120.51 123.79 1wyl n ALA 21 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1wyl n ALA 21 Cb 0.18 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.17 1wyl n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyl n GLY 22 N 3.80 3.21 3.69 0.00 0.00 -1.26 -5.00 105.19 109.62 1wyl n GLY 22 Ca 0.17 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 2.60 -2.05 1.61 4.19 -1.09 -4.89 117.16 117.52 1wyl n TYR 23 Ca 0.00 -0.15 -0.40 0.00 3.31 0.00 0.00 57.90 60.66 1wyl n TYR 23 Cb 0.00 -2.73 -0.03 0.00 0.49 0.00 0.00 39.34 37.07 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 2.84 2.93 0.00 2.98 0.04 -1.26 -2.42 135.00 140.11 1wyl s PRO 24 Ca 0.83 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1wyl s PRO 24 Cb -0.49 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 29.75 1wyl s PRO 24 CO 0.38 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.48 1wyl n GLY 25 N 5.56 1.41 3.03 0.56 0.00 -1.26 -5.10 105.19 109.38 1wyl n GLY 25 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 1.90 -0.45 1.61 1.01 -1.01 -4.91 120.40 116.54 1wyl s VAL 26 Ca 0.00 -1.35 0.02 0.00 0.00 0.00 0.00 61.98 60.65 1wyl s VAL 26 Cb 0.00 -2.01 0.14 0.00 0.00 0.00 0.00 36.38 34.51 1wyl s VAL 26 CO 0.00 0.04 0.25 -1.38 0.00 0.00 0.00 175.10 174.01 1wyl s HIS 27 N 1.25 2.09 -0.80 5.22 -3.43 -1.26 -4.84 115.29 113.52 1wyl s HIS 27 Ca -0.06 -2.50 -0.26 0.00 -0.80 0.00 0.00 55.06 51.44 1wyl s HIS 27 Cb -0.18 -1.94 0.02 0.00 -1.43 0.00 0.00 32.58 29.04 1wyl s HIS 27 CO -0.07 -0.77 1.47 0.08 -2.00 0.00 0.00 174.74 173.45 1wyl s VAL 28 N 0.23 3.68 -0.15 -5.38 1.01 -1.26 -4.76 120.40 113.76 1wyl s VAL 28 Ca 0.18 0.04 0.13 0.00 0.00 0.00 0.00 61.98 62.34 1wyl s VAL 28 Cb -0.22 -4.71 -0.24 0.00 0.00 0.00 0.00 36.38 31.20 1wyl s VAL 28 CO -0.01 -1.65 0.25 -1.20 0.00 0.00 0.00 175.10 172.49 1wyl n SER 29 N 10.20 0.58 -2.20 3.32 7.64 -1.26 -4.85 113.62 127.05 1wyl n SER 29 Ca 0.16 0.13 -0.07 0.00 1.01 0.00 0.00 58.87 60.10 1wyl n SER 29 Cb 0.50 0.43 -0.00 0.00 -1.01 0.00 0.00 64.21 64.12 1wyl n SER 29 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wyl n ASP 30 N -2.93 -1.17 -2.73 6.43 8.00 -1.26 -5.07 116.55 117.82 1wyl n ASP 30 Ca -0.29 -2.11 -0.32 0.00 0.71 0.00 0.00 54.79 52.79 1wyl n ASP 30 Cb 1.10 2.04 0.01 0.00 -0.02 0.00 0.00 41.12 44.25 1wyl n ASP 30 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wyl n LEU 31 N 0.00 5.66 0.10 0.64 4.32 -1.26 -4.26 117.00 122.20 1wyl n LEU 31 Ca -0.03 -5.17 0.00 0.00 -0.02 0.00 0.00 56.01 50.79 1wyl n LEU 31 Cb 0.37 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 1wyl n LEU 31 CO 0.18 2.10 -0.03 -0.24 -1.22 0.00 0.00 177.39 178.18 1wyl n SER 32 N -0.45 0.18 -0.00 -1.43 2.88 -1.26 -4.77 113.62 108.78 1wyl n SER 32 Ca 0.43 0.32 -0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1wyl n SER 32 Cb 0.48 0.15 -0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 -3.33 4.44 -0.49 -3.46 7.64 -1.26 -4.33 113.62 112.83 1wyl n SER 33 Ca 0.00 -0.00 0.41 0.00 1.01 0.00 0.00 58.87 60.28 1wyl n SER 33 Cb 0.03 0.24 0.72 0.00 -1.01 0.00 0.00 64.21 64.19 1wyl n SER 33 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wyl h SER 34 N 0.00 0.12 0.21 6.43 0.02 -1.89 0.55 113.55 119.00 1wyl h SER 34 Ca -0.00 0.06 -0.34 0.00 -0.84 0.00 0.00 61.79 60.66 1wyl h SER 34 Cb 1.01 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.54 1wyl h SER 34 CO -0.00 -0.06 -2.08 0.79 -1.14 0.00 0.00 176.83 174.34 1wyl n TRP 35 N -4.32 0.56 -0.32 3.45 7.02 -1.26 -4.38 117.44 118.19 1wyl n TRP 35 Ca 0.36 0.18 0.07 0.00 -1.02 0.00 0.00 57.50 57.08 1wyl n TRP 35 Cb 1.52 -1.09 0.15 0.00 -2.42 0.00 0.00 31.31 29.47 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 -2.76 0.26 -0.33 6.99 0.00 0.19 0.89 120.51 125.75 1wyl n ALA 36 Ca -0.28 0.97 0.19 0.00 0.00 0.00 0.00 53.44 54.32 1wyl n ALA 36 Cb 1.08 -0.61 0.37 0.00 0.00 0.00 0.00 19.45 20.29 1wyl n ALA 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1wyl h ASP 37 N 0.00 -0.24 0.00 0.00 3.32 -1.74 -3.34 116.42 114.43 1wyl h ASP 37 Ca 0.45 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.77 1wyl h ASP 37 Cb 0.75 0.41 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1wyl h ASP 37 CO -0.90 -0.36 0.00 0.61 -1.72 0.00 0.00 179.24 176.87 1wyl n GLY 38 N -1.43 3.38 0.30 2.75 0.00 0.26 -4.18 105.19 106.27 1wyl n GLY 38 Ca 0.27 -0.98 0.01 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.79 -0.34 0.99 3.38 -1.83 -1.96 115.31 114.76 1wyl h LEU 39 Ca 0.00 0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1wyl h LEU 39 Cb 0.00 0.50 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1wyl h LEU 39 CO 0.00 -0.26 -0.20 0.00 0.09 0.00 0.00 178.44 178.07 1wyl n ALA 40 N -3.29 -0.22 -0.20 1.53 0.00 -1.26 0.20 120.51 117.27 1wyl n ALA 40 Ca 0.10 0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.91 1wyl n ALA 40 Cb 0.39 0.12 0.35 0.00 0.00 0.00 0.00 19.45 20.32 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 0.67 0.89 0.00 3.38 -1.64 -2.26 115.31 116.35 1wyl h LEU 41 Ca 0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1wyl h LEU 41 Cb 0.14 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1wyl h LEU 41 CO -0.32 0.42 -0.43 0.00 0.09 0.00 0.00 178.44 178.20 1wyl h ALA 43 N -1.36 0.43 -0.51 0.00 0.00 -0.06 0.01 119.26 117.77 1wyl h ALA 43 Ca -0.12 0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1wyl h ALA 43 Cb 0.91 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 1wyl h ALA 43 CO 0.20 -0.43 0.12 1.25 0.00 0.00 0.00 179.25 180.39 1wyl h LEU 44 N 0.01 0.04 0.81 0.00 5.85 -1.37 0.13 115.31 120.77 1wyl h LEU 44 Ca 0.30 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.06 1wyl h LEU 44 Cb 0.46 0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.61 1wyl h LEU 44 CO -0.62 0.05 -0.39 0.58 -0.34 0.00 0.00 178.44 177.71 1wyl h VAL 45 N 0.26 0.00 -0.60 1.05 2.07 -0.30 -1.21 116.25 117.52 1wyl h VAL 45 Ca 0.25 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.89 1wyl h VAL 45 Cb 0.33 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.99 1wyl h VAL 45 CO -0.32 0.00 -0.19 1.88 0.02 0.00 0.00 177.57 178.96 1wyl h TYR 46 N -1.09 -0.44 0.32 1.57 0.05 -0.99 -2.19 116.97 114.19 1wyl h TYR 46 Ca -0.11 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 1wyl h TYR 46 Cb 0.84 0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.84 1wyl h TYR 46 CO 0.04 -0.29 -0.42 0.00 -1.05 0.00 0.00 178.16 176.44 1wyl h ARG 47 N -0.04 -0.73 -1.25 4.88 2.47 -0.91 -1.60 114.38 117.20 1wyl h ARG 47 Ca 0.28 0.05 0.45 0.00 -1.26 0.00 0.00 59.98 59.51 1wyl h ARG 47 Cb 0.48 0.17 -0.15 0.00 -1.65 0.00 0.00 29.97 28.82 1wyl h ARG 47 CO -0.64 -0.49 0.78 1.28 0.56 0.00 0.00 179.97 181.45 1wyl n LEU 48 N -4.92 0.24 -3.63 3.04 4.77 -0.46 -3.16 117.00 112.89 1wyl n LEU 48 Ca -0.09 1.43 -0.29 0.00 -0.03 0.00 0.00 56.01 57.02 1wyl n LEU 48 Cb 0.37 -0.70 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 1wyl n LEU 48 CO 0.19 -1.56 -0.31 -1.58 -1.33 0.00 0.00 177.39 172.79 1wyl s GLN 49 N -5.28 0.68 0.00 3.23 0.74 -0.63 -4.97 119.66 113.43 1wyl s GLN 49 Ca -0.08 -1.19 0.15 0.00 0.05 0.00 0.00 55.36 54.29 1wyl s GLN 49 Cb 0.31 -1.73 0.78 0.00 1.10 0.00 0.00 33.01 33.47 1wyl s GLN 49 CO 0.79 -1.07 1.39 -0.35 -0.55 0.00 0.00 175.29 175.50 1wyl n PRO 50 N 4.51 0.26 0.02 1.67 -0.04 -1.05 -2.50 135.00 137.87 1wyl n PRO 50 Ca 0.02 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.56 1wyl n PRO 50 Cb 0.39 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 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 2.44 0.00 -1.93 0.55 0.00 -1.92 -3.47 103.07 98.74 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 0.43 1.08 0.00 0.00 0.00 176.54 178.05 1wyl s LEU 52 N -6.02 3.54 0.99 3.11 1.43 -1.04 -4.95 118.68 115.74 1wyl s LEU 52 Ca -0.03 2.26 -0.17 0.00 -1.03 0.00 0.00 54.13 55.16 1wyl s LEU 52 Cb 0.08 -4.58 -0.10 0.00 0.03 0.00 0.00 46.19 41.62 1wyl s LEU 52 CO 0.81 -1.68 -0.56 0.00 0.23 0.00 0.00 176.35 175.15 1wyl n LEU 53 N -1.97 -4.13 -4.95 1.79 -0.00 -1.26 -4.97 117.00 101.52 1wyl n LEU 53 Ca 0.13 0.18 -0.24 0.00 -0.00 0.00 0.00 56.01 56.08 1wyl n LEU 53 Cb 0.50 -0.85 -0.03 0.00 -0.00 0.00 0.00 43.42 43.05 1wyl n LEU 53 CO 0.45 -4.94 -0.08 -1.61 -0.00 0.00 0.00 177.39 171.21 1wyl s GLU 54 N -2.47 3.41 0.00 1.47 2.02 -1.26 -4.94 118.70 116.93 1wyl s GLU 54 Ca 0.44 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.78 1wyl s GLU 54 Cb -0.15 -2.91 0.15 0.00 0.10 0.00 0.00 34.13 31.31 1wyl s GLU 54 CO 0.77 0.48 0.62 -0.35 0.02 0.00 0.00 175.26 176.80 1wyl n PRO 55 N -0.87 0.49 -0.33 0.39 -0.04 -1.26 -4.15 135.00 129.22 1wyl n PRO 55 Ca -0.08 0.00 0.27 0.00 -0.04 0.00 0.00 63.50 63.65 1wyl n PRO 55 Cb 0.55 -1.08 0.45 0.00 -0.04 0.00 0.00 33.50 33.38 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 0.12 0.00 3.54 7.64 -1.26 0.24 113.62 123.32 1wyl n SER 56 Ca 0.02 0.86 -0.21 0.00 1.01 0.00 0.00 58.87 60.55 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 0.22 -0.73 1.43 4.39 -2.00 -3.32 114.58 114.57 1wyl h GLU 57 Ca 0.57 -0.38 0.21 0.00 0.34 0.00 0.00 59.36 60.10 1wyl h GLU 57 Cb 1.92 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 30.68 1wyl h GLU 57 CO -0.26 1.18 0.68 -0.07 -1.16 0.00 0.00 179.01 179.38 1wyl h LEU 58 N -0.41 0.00 -0.99 1.33 4.07 0.29 -0.54 115.31 119.06 1wyl h LEU 58 Ca -0.26 0.00 0.31 0.00 0.08 0.00 0.00 57.88 58.01 1wyl h LEU 58 Cb 1.66 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 43.26 1wyl h LEU 58 CO 0.05 0.00 0.54 1.56 -1.08 0.00 0.00 178.44 179.52 1wyl h GLN 59 N 0.00 0.33 -1.69 1.13 4.20 -1.40 -1.75 115.11 115.93 1wyl h GLN 59 Ca 0.35 -0.02 -0.55 0.00 0.06 0.00 0.00 58.65 58.49 1wyl h GLN 59 Cb 1.69 -0.07 -0.42 0.00 0.30 0.00 0.00 27.48 28.98 1wyl h GLN 59 CO -0.00 0.22 -0.80 0.41 -0.67 0.00 0.00 178.83 177.98 1wyl n GLY 60 N -1.30 5.11 0.56 3.46 0.00 -0.21 -4.84 105.19 107.97 1wyl n GLY 60 Ca 0.30 -2.49 -0.02 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.31 0.61 0.00 0.99 4.77 -0.66 -5.10 117.00 117.31 1wyl n LEU 61 Ca 0.32 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1wyl n LEU 61 Cb 0.61 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1wyl n LEU 61 CO 0.32 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1wyl n GLY 62 N 2.56 3.24 0.17 -0.72 0.00 -1.26 -4.77 105.19 104.41 1wyl n GLY 62 Ca -0.03 -1.34 -0.05 0.00 0.00 0.00 0.00 46.02 44.61 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 0.47 0.07 4.61 0.00 -1.96 -1.69 119.26 120.77 1wyl h ALA 63 Ca 0.00 0.07 -0.00 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 -0.28 -0.03 1.25 0.00 0.00 0.00 179.25 180.18 1wyl h LEU 64 N 0.26 -0.08 -1.00 0.00 5.85 -1.88 -3.27 115.31 115.19 1wyl h LEU 64 Ca 0.20 -0.47 0.40 0.00 0.84 0.00 0.00 57.88 58.85 1wyl h LEU 64 Cb 0.22 0.02 -0.18 0.00 0.37 0.00 0.00 40.66 41.09 1wyl h LEU 64 CO -0.23 0.60 0.51 -0.33 -0.34 0.00 0.00 178.44 178.64 1wyl h GLU 65 N -0.94 0.03 0.25 1.25 4.39 -1.85 -0.81 114.58 116.90 1wyl h GLU 65 Ca -0.01 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1wyl h GLU 65 Cb 0.54 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1wyl h GLU 65 CO 0.02 0.02 -0.12 0.00 -1.16 0.00 0.00 179.01 177.77 1wyl h ALA 66 N 1.99 -1.05 -1.25 3.43 0.00 -1.38 -2.93 119.26 118.07 1wyl h ALA 66 Ca 0.82 -0.07 0.45 0.00 0.00 0.00 0.00 54.91 56.11 1wyl h ALA 66 Cb 2.13 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 19.89 1wyl h ALA 66 CO -0.77 -1.02 0.77 1.15 0.00 0.00 0.00 179.25 179.38 1wyl h THR 67 N -0.34 0.03 -0.05 0.00 2.02 -1.22 0.36 112.91 113.71 1wyl h THR 67 Ca -0.03 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1wyl h THR 67 Cb 0.25 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 1wyl h THR 67 CO 0.06 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 175.69 1wyl h ALA 68 N 1.73 -0.32 0.65 6.16 0.00 -1.20 -2.02 119.26 124.26 1wyl h ALA 68 Ca 0.86 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.75 1wyl h ALA 68 Cb 2.59 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 20.85 1wyl h ALA 68 CO -0.56 -0.75 -0.44 2.35 0.00 0.00 0.00 179.25 179.85 1wyl h TRP 69 N -0.38 -1.17 -0.90 0.00 7.01 -0.24 -2.16 115.95 118.12 1wyl h TRP 69 Ca 0.08 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.18 1wyl h TRP 69 Cb 0.48 0.43 -0.13 0.00 -2.10 0.00 0.00 29.16 27.84 1wyl h TRP 69 CO -0.32 -0.64 -0.43 0.00 -2.79 0.00 0.00 178.44 174.27 1wyl n ALA 70 N -2.67 -0.32 0.02 2.65 0.00 -1.10 0.23 120.51 119.33 1wyl n ALA 70 Ca -0.13 0.83 0.13 0.00 0.00 0.00 0.00 53.44 54.28 1wyl n ALA 70 Cb 0.44 -0.28 0.59 0.00 0.00 0.00 0.00 19.45 20.20 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 0.18 0.00 0.00 3.38 -1.25 0.60 115.31 118.22 1wyl h LEU 71 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1wyl h LEU 71 Cb 0.46 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1wyl h LEU 71 CO -0.87 0.11 0.00 1.17 0.09 0.00 0.00 178.44 178.94 1wyl n LYS 72 N -4.46 0.00 -0.07 1.13 4.81 0.63 -1.74 118.16 118.47 1wyl n LYS 72 Ca 0.07 0.49 0.25 0.00 -0.87 0.00 0.00 58.31 58.24 1wyl n LYS 72 Cb 0.37 -1.17 0.70 0.00 0.02 0.00 0.00 35.03 34.94 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 0.34 0.00 3.15 2.07 -0.85 0.92 116.25 121.88 1wyl h VAL 73 Ca 0.00 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1wyl h VAL 73 Cb 0.00 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1wyl h VAL 73 CO 0.00 0.00 -0.81 0.00 0.02 0.00 0.00 177.57 176.78 1wyl h ALA 74 N 1.34 0.52 0.00 1.67 0.00 -0.93 -1.34 119.26 120.51 1wyl h ALA 74 Ca 0.34 -0.74 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1wyl h ALA 74 Cb 1.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1wyl h ALA 74 CO -0.00 1.01 -1.09 1.49 0.00 0.00 0.00 179.25 180.66 1wyl h GLU 75 N 0.00 0.00 0.00 0.00 4.22 0.15 2.03 114.58 120.98 1wyl h GLU 75 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1wyl h GLU 75 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1wyl h GLU 75 CO 0.11 0.08 -0.27 0.09 -2.18 0.00 0.00 179.01 176.83 1wyl n ASN 76 N -2.74 0.90 0.01 1.04 3.02 0.77 -3.71 115.26 114.56 1wyl n ASN 76 Ca -0.02 0.42 -0.01 0.00 -0.03 0.00 0.00 54.58 54.94 1wyl n ASN 76 Cb 0.62 -0.68 -0.00 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.49 -0.04 -0.08 3.52 4.39 -1.47 -3.33 114.58 117.07 1wyl h GLU 77 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1wyl h GLU 77 Cb 0.27 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1wyl h GLU 77 CO 0.00 -0.03 0.01 -0.07 -1.16 0.00 0.00 179.01 177.77 1wyl h LEU 78 N -0.12 0.10 0.00 1.33 3.38 -1.54 -3.46 115.31 115.01 1wyl h LEU 78 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wyl h LEU 78 Cb 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1wyl h LEU 78 CO 0.01 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1wyl n GLY 79 N -1.41 1.85 3.56 0.83 0.00 0.38 -4.92 105.19 105.46 1wyl n GLY 79 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1wyl n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wyl n ILE 80 N -2.00 0.00 -1.46 -0.61 2.08 0.59 -4.70 119.36 113.27 1wyl n ILE 80 Ca 0.00 -0.19 -0.49 0.00 0.56 0.00 0.00 62.75 62.63 1wyl n ILE 80 Cb 0.00 -1.92 -0.04 0.00 -0.75 0.00 0.00 39.64 36.93 1wyl n ILE 80 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1wyl n THR 81 N 8.87 1.61 -2.06 1.39 -1.04 -1.26 -3.97 114.28 117.81 1wyl n THR 81 Ca 0.42 -0.40 -0.41 0.00 -2.04 0.00 0.00 64.05 61.62 1wyl n THR 81 Cb 0.45 -0.21 -0.03 0.00 -1.82 0.00 0.00 70.33 68.73 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 -0.87 3.04 0.14 -2.82 0.04 -1.26 -4.84 135.00 128.42 1wyl s PRO 82 Ca 0.68 0.99 0.11 0.00 0.04 0.00 0.00 61.00 62.82 1wyl s PRO 82 Cb -0.94 -4.26 -0.13 0.00 0.04 0.00 0.00 34.50 29.21 1wyl s PRO 82 CO 0.56 -2.22 1.19 -0.24 0.04 0.00 0.00 177.00 176.33 1wyl h VAL 83 N 6.80 1.22 -3.54 -0.36 3.04 -1.94 -3.46 116.25 118.01 1wyl h VAL 83 Ca -0.29 -2.83 -0.67 0.00 -1.01 0.00 0.00 66.70 61.90 1wyl h VAL 83 Cb 1.16 2.58 -0.19 0.00 -2.01 0.00 0.00 31.29 32.83 1wyl h VAL 83 CO 1.12 0.70 -0.82 -0.69 -1.01 0.00 0.00 177.57 176.87 1wyl s VAL 84 N -2.79 2.56 -0.10 1.51 1.01 -1.26 -5.02 120.40 116.31 1wyl s VAL 84 Ca 0.01 -1.76 -0.28 0.00 0.00 0.00 0.00 61.98 59.95 1wyl s VAL 84 Cb 0.09 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1wyl s VAL 84 CO 0.80 0.01 0.91 -0.44 0.00 0.00 0.00 175.10 176.38 1wyl s SER 85 N -2.35 7.15 0.24 3.32 0.01 -1.26 -4.93 113.70 115.88 1wyl s SER 85 Ca 0.18 1.41 0.02 0.00 1.31 0.00 0.00 55.95 58.87 1wyl s SER 85 Cb -0.09 -2.51 0.59 0.00 0.21 0.00 0.00 66.02 64.22 1wyl s SER 85 CO 0.09 -0.35 1.20 0.00 0.41 0.00 0.00 173.24 174.59 1wyl n ALA 86 N 4.66 0.40 -0.01 1.44 0.00 -1.26 0.15 120.51 125.89 1wyl n ALA 86 Ca 0.06 0.82 -0.11 0.00 0.00 0.00 0.00 53.44 54.20 1wyl n ALA 86 Cb 0.50 -0.60 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 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 0.15 -0.53 0.00 -0.00 -1.96 -2.34 115.11 110.43 1wyl h GLN 87 Ca 0.47 -0.01 0.10 0.00 -0.00 0.00 0.00 58.65 59.20 1wyl h GLN 87 Cb 0.97 -0.03 -0.08 0.00 0.00 0.00 0.00 27.48 28.33 1wyl h GLN 87 CO -0.72 0.11 0.08 0.00 0.00 0.00 0.00 178.83 178.31 1wyl h ALA 88 N 1.03 0.58 0.59 3.38 0.00 0.10 0.86 119.26 125.80 1wyl h ALA 88 Ca 0.04 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1wyl h ALA 88 Cb -0.00 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wyl h ALA 88 CO -0.01 -0.33 -0.45 0.28 0.00 0.00 0.00 179.25 178.74 1wyl h VAL 89 N 0.21 0.10 0.49 0.00 2.07 -1.10 -0.95 116.25 117.07 1wyl h VAL 89 Ca 0.27 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.77 1wyl h VAL 89 Cb 0.39 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1wyl h VAL 89 CO -0.37 0.00 -0.24 0.58 0.02 0.00 0.00 177.57 177.56 1wyl h VAL 90 N -1.01 0.00 -0.90 2.57 2.07 -1.09 -3.15 116.25 114.74 1wyl h VAL 90 Ca -0.07 -0.15 0.30 0.00 0.82 0.00 0.00 66.70 67.60 1wyl h VAL 90 Cb 0.85 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.45 1wyl h VAL 90 CO 0.01 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.81 1wyl n ALA 91 N -2.44 0.65 -1.27 1.67 0.00 0.30 -4.78 120.51 114.64 1wyl n ALA 91 Ca -0.08 0.94 0.00 0.00 0.00 0.00 0.00 53.44 54.30 1wyl n ALA 91 Cb 0.26 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.36 0.82 0.19 0.00 0.00 -0.38 -5.03 105.19 99.44 1wyl n GLY 92 Ca 0.26 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 0.40 1.95 -4.15 1.61 2.88 -1.09 -4.80 113.62 110.41 1wyl n SER 93 Ca 0.00 0.10 -0.39 0.00 -1.33 0.00 0.00 58.87 57.26 1wyl n SER 93 Cb 0.27 -0.54 -0.07 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 -6.68 5.81 0.17 -3.46 1.01 -1.25 -4.90 116.67 107.36 1wyl s ASP 94 Ca -0.32 -3.12 -0.08 0.00 0.71 0.00 0.00 52.55 49.75 1wyl s ASP 94 Cb 0.10 -1.95 0.04 0.00 1.01 0.00 0.00 42.92 42.12 1wyl s ASP 94 CO 0.46 -0.35 1.51 1.55 0.21 0.00 0.00 175.17 178.56 1wyl h PRO 95 N 6.84 0.82 -0.00 8.23 0.13 -1.88 -3.25 132.00 142.89 1wyl h PRO 95 Ca 0.07 -0.43 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1wyl h PRO 95 Cb 0.92 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1wyl h PRO 95 CO 0.77 1.07 0.00 -0.07 -0.23 0.00 0.00 178.00 179.54 1wyl h LEU 96 N 0.67 0.00 -0.69 1.56 4.07 -1.90 -2.98 115.31 116.05 1wyl h LEU 96 Ca 0.05 -0.11 0.13 0.00 0.08 0.00 0.00 57.88 58.03 1wyl h LEU 96 Cb 0.96 -0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.57 1wyl h LEU 96 CO 0.09 0.12 -0.25 1.23 -1.08 0.00 0.00 178.44 178.55 1wyl h GLY 97 N -0.11 0.27 0.45 0.83 0.00 -1.97 -0.77 103.07 101.77 1wyl h GLY 97 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.69 1wyl h GLY 97 CO -0.00 -0.25 -0.22 -2.00 0.00 0.00 0.00 176.54 174.07 1wyl h LEU 98 N -0.06 -0.66 -0.71 3.11 5.85 -1.58 0.21 115.31 121.47 1wyl h LEU 98 Ca 0.31 0.10 0.14 0.00 0.84 0.00 0.00 57.88 59.26 1wyl h LEU 98 Cb 0.54 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.75 1wyl h LEU 98 CO -0.74 -0.28 0.21 0.40 -0.34 0.00 0.00 178.44 177.69 1wyl h ILE 99 N -0.33 0.60 0.00 4.05 2.04 -1.04 0.25 117.51 123.08 1wyl h ILE 99 Ca 0.07 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1wyl h ILE 99 Cb 0.43 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1wyl h ILE 99 CO -0.22 0.06 -0.35 0.00 0.00 0.00 0.00 178.15 177.64 1wyl h ALA 100 N 1.55 1.05 -0.30 1.87 0.00 -0.56 -2.88 119.26 120.01 1wyl h ALA 100 Ca 0.39 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1wyl h ALA 100 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1wyl h ALA 100 CO -0.44 0.43 -0.27 -0.92 0.00 0.00 0.00 179.25 178.05 1wyl h TYR 101 N 0.00 0.85 -0.55 0.00 3.20 0.27 -3.19 116.97 117.55 1wyl h TYR 101 Ca -0.00 -0.25 -0.09 0.00 3.14 0.00 0.00 58.73 61.53 1wyl h TYR 101 Cb 0.82 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1wyl h TYR 101 CO 0.00 0.99 0.01 -0.07 -1.64 0.00 0.00 178.16 177.45 1wyl h LEU 102 N 0.46 0.94 -1.38 2.82 3.38 -1.09 -2.87 115.31 117.56 1wyl h LEU 102 Ca 0.05 -0.30 0.36 0.00 0.09 0.00 0.00 57.88 58.07 1wyl h LEU 102 Cb 0.84 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.22 1wyl h LEU 102 CO 0.07 1.01 0.76 0.28 0.09 0.00 0.00 178.44 180.65 1wyl h SER 103 N 0.84 0.33 -0.64 -0.43 0.02 -1.49 0.85 113.55 113.02 1wyl h SER 103 Ca 0.16 0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1wyl h SER 103 Cb 0.53 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1wyl h SER 103 CO 0.03 -0.07 0.23 0.45 -1.14 0.00 0.00 176.83 176.33 1wyl h HIS 104 N 0.22 1.04 -0.10 3.45 3.86 -1.58 0.26 115.15 122.30 1wyl h HIS 104 Ca 0.72 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.83 1wyl h HIS 104 Cb 2.09 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 30.24 1wyl h HIS 104 CO -0.00 0.81 -0.00 0.74 0.86 0.00 0.00 177.93 180.34 1wyl h PHE 105 N 0.98 0.20 0.32 2.45 -1.00 0.60 -2.66 116.94 117.82 1wyl h PHE 105 Ca 0.22 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.95 1wyl h PHE 105 Cb 0.25 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1wyl h PHE 105 CO 0.02 0.44 -0.15 1.25 -1.61 0.00 0.00 178.31 178.26 1wyl h HIS 106 N -0.10 -0.40 -1.12 -0.55 2.76 -1.27 0.35 115.15 114.81 1wyl h HIS 106 Ca 0.03 -0.01 0.33 0.00 -2.20 0.00 0.00 60.37 58.51 1wyl h HIS 106 Cb 0.36 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.41 1wyl h HIS 106 CO 0.04 -0.25 1.14 0.77 -1.30 0.00 0.00 177.93 178.33 1wyl h SER 107 N -0.72 0.00 0.18 3.26 0.02 -0.61 1.97 113.55 117.67 1wyl h SER 107 Ca -0.04 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.59 1wyl h SER 107 Cb 0.33 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 1wyl h SER 107 CO 0.07 0.00 -2.12 0.00 -1.14 0.00 0.00 176.83 173.64 1wyl n ALA 108 N -2.39 1.58 -2.21 3.77 0.00 -1.00 -4.44 120.51 115.81 1wyl n ALA 108 Ca 0.25 -1.09 -0.23 0.00 0.00 0.00 0.00 53.44 52.37 1wyl n ALA 108 Cb 1.49 -0.44 0.02 0.00 0.00 0.00 0.00 19.45 20.51 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 -2.82 2.80 -1.09 0.00 3.01 0.57 -4.70 117.46 115.22 1wyl n PHE 109 Ca -0.26 -2.48 0.06 0.00 1.01 0.00 0.00 57.45 55.79 1wyl n PHE 109 Cb 1.09 -0.26 0.23 0.00 -0.01 0.00 0.00 39.48 40.53 1wyl n PHE 109 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1wyl n LYS 110 N -0.62 2.49 -1.66 -1.08 2.85 0.42 -4.77 118.16 115.79 1wyl n LYS 110 Ca 0.39 -2.87 -0.56 0.00 -1.05 0.00 0.00 58.31 54.23 1wyl n LYS 110 Cb 0.87 -1.79 -0.07 0.00 -0.65 0.00 0.00 35.03 33.39 1wyl n LYS 110 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1wyl n SER 111 N -0.76 1.96 0.00 -5.58 7.64 -1.26 -4.77 113.62 110.85 1wyl n SER 111 Ca 0.23 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.21 1wyl n SER 111 Cb 0.88 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1wyl n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyl n GLY 112 N 3.40 2.70 2.74 0.23 0.00 -1.26 -5.13 105.19 107.87 1wyl n GLY 112 Ca 0.23 -1.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.80 -2.69 -3.48 1.61 -0.04 -1.26 -5.02 135.00 122.32 1wyl n PRO 113 Ca 0.00 -1.37 -0.38 0.00 -0.04 0.00 0.00 63.50 61.72 1wyl n PRO 113 Cb 0.00 -1.28 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 1wyl n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wyl s SER 114 N -3.81 6.67 -0.03 3.54 0.15 -1.26 -5.08 113.70 113.89 1wyl s SER 114 Ca 0.55 0.80 0.01 0.00 0.70 0.00 0.00 55.95 58.01 1wyl s SER 114 Cb -0.05 -2.24 0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1wyl s SER 114 CO 0.43 0.19 -0.02 -0.94 1.20 0.00 0.00 173.24 174.09 1wyl s SER 115 N -0.27 0.57 0.00 5.45 1.04 -1.26 -5.13 113.70 114.10 1wyl s SER 115 Ca 0.22 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1wyl s SER 115 Cb -0.15 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.73 1wyl s SER 115 CO 0.10 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.88