#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyl n SER 2 N 0.00 0.62 -4.18 1.61 2.88 -1.26 -4.84 113.62 108.46 1wyl n SER 2 Ca 0.00 0.01 -0.40 0.00 -1.33 0.00 0.00 58.87 57.15 1wyl n SER 2 Cb 0.00 -1.04 -0.07 0.00 -0.75 0.00 0.00 64.21 62.36 1wyl n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wyl s SER 3 N 9.34 5.82 0.00 -3.46 0.15 -1.26 -5.00 113.70 119.30 1wyl s SER 3 Ca 1.28 -2.88 0.00 0.00 0.70 0.00 0.00 55.95 55.06 1wyl s SER 3 Cb -1.04 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 61.29 1wyl s SER 3 CO 0.45 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1wyl n GLY 4 N 3.55 1.88 3.31 9.45 0.00 -1.26 -5.17 105.19 116.96 1wyl n GLY 4 Ca 0.11 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 1wyl n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wyl s SER 5 N 0.00 -0.41 -0.10 1.61 0.15 -1.26 -5.15 113.70 108.54 1wyl s SER 5 Ca 0.00 0.75 -0.03 0.00 0.70 0.00 0.00 55.95 57.36 1wyl s SER 5 Cb 0.00 0.78 0.05 0.00 -1.71 0.00 0.00 66.02 65.14 1wyl s SER 5 CO 0.00 -0.20 0.16 -0.44 1.20 0.00 0.00 173.24 173.96 1wyl s SER 6 N -0.02 0.88 -1.14 5.45 0.01 -1.26 -4.93 113.70 112.69 1wyl s SER 6 Ca -0.02 0.24 -0.15 0.00 1.31 0.00 0.00 55.95 57.33 1wyl s SER 6 Cb -0.03 0.25 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 1wyl s SER 6 CO 0.01 -0.26 0.80 0.61 0.41 0.00 0.00 173.24 174.82 1wyl n GLY 7 N 5.32 -0.94 2.91 3.44 0.00 -1.26 -5.00 105.19 109.66 1wyl n GLY 7 Ca -0.05 0.45 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.48 0.71 0.33 2.61 2.01 -1.26 -5.02 115.64 111.53 1wyl s THR 8 Ca 0.42 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.22 1wyl s THR 8 Cb -0.13 -0.71 0.25 0.00 0.01 0.00 0.00 72.50 71.92 1wyl s THR 8 CO 0.83 0.27 1.98 1.56 -0.69 0.00 0.00 174.62 178.57 1wyl h GLN 9 N 7.31 0.90 -0.90 4.92 7.50 -2.01 -2.66 115.11 130.17 1wyl h GLN 9 Ca -0.34 -0.07 0.24 0.00 0.50 0.00 0.00 58.65 58.98 1wyl h GLN 9 Cb 1.16 -0.20 -0.16 0.00 0.05 0.00 0.00 27.48 28.33 1wyl h GLN 9 CO 0.45 0.62 0.11 1.49 -1.50 0.00 0.00 178.83 180.00 1wyl h GLU 10 N 0.92 0.10 -0.71 1.46 4.81 -1.99 1.03 114.58 120.20 1wyl h GLU 10 Ca 0.24 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.55 1wyl h GLU 10 Cb -0.05 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 1wyl h GLU 10 CO -0.05 0.06 0.47 1.49 -0.73 0.00 0.00 179.01 180.25 1wyl h GLU 11 N 0.10 0.63 0.01 1.92 4.81 -1.91 -0.80 114.58 119.33 1wyl h GLU 11 Ca 0.55 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.62 1wyl h GLU 11 Cb 1.11 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 30.36 1wyl h GLU 11 CO -0.77 0.42 -0.50 1.25 -0.73 0.00 0.00 179.01 178.68 1wyl h LEU 12 N 0.65 0.41 0.37 1.64 5.85 0.87 -3.11 115.31 121.99 1wyl h LEU 12 Ca 0.32 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1wyl h LEU 12 Cb 0.40 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1wyl h LEU 12 CO -0.11 1.15 -0.26 0.25 -0.34 0.00 0.00 178.44 179.14 1wyl h LEU 13 N -0.28 -0.67 -0.86 2.25 5.85 -0.42 -1.91 115.31 119.28 1wyl h LEU 13 Ca -0.07 0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.89 1wyl h LEU 13 Cb 1.24 0.20 -0.16 0.00 0.37 0.00 0.00 40.66 42.31 1wyl h LEU 13 CO 0.10 -0.38 -0.12 0.03 -0.34 0.00 0.00 178.44 177.73 1wyl h ARG 14 N -0.59 0.03 -0.88 1.25 3.08 -1.32 0.63 114.38 116.56 1wyl h ARG 14 Ca -0.05 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.11 1wyl h ARG 14 Cb 0.49 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.45 1wyl h ARG 14 CO 0.03 0.02 0.52 2.35 -1.07 0.00 0.00 179.97 181.81 1wyl h TRP 15 N 0.03 0.93 -0.37 3.04 7.01 -1.44 -0.87 115.95 124.28 1wyl h TRP 15 Ca 0.45 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.36 1wyl h TRP 15 Cb 0.77 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 1wyl h TRP 15 CO -0.58 0.35 -0.28 0.00 -2.79 0.00 0.00 178.44 175.15 1wyl h GLN 17 N 0.66 0.30 -0.06 0.00 4.20 0.28 0.24 115.11 120.73 1wyl h GLN 17 Ca 0.08 -0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.52 1wyl h GLN 17 Cb 0.80 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.54 1wyl h GLN 17 CO 0.07 0.35 -0.82 0.93 -0.67 0.00 0.00 178.83 178.69 1wyl h GLU 18 N 0.30 0.66 0.12 1.46 5.08 -1.08 -1.94 114.58 119.18 1wyl h GLU 18 Ca 0.07 -0.63 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 1wyl h GLU 18 Cb 0.25 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1wyl h GLU 18 CO 0.01 1.24 -0.06 1.96 -1.00 0.00 0.00 179.01 181.16 1wyl h GLN 19 N 0.33 -0.15 0.00 2.33 1.08 -1.12 -3.22 115.11 114.36 1wyl h GLN 19 Ca -0.09 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1wyl h GLN 19 Cb 1.48 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.94 1wyl h GLN 19 CO 0.17 0.33 -0.04 1.79 -0.95 0.00 0.00 178.83 180.12 1wyl h THR 20 N -0.77 0.97 -2.16 -0.54 1.35 -0.65 -3.45 112.91 107.65 1wyl h THR 20 Ca -0.02 -0.15 -0.59 0.00 -0.55 0.00 0.00 66.41 65.10 1wyl h THR 20 Cb 0.55 1.08 0.18 0.00 -1.73 0.00 0.00 68.15 68.24 1wyl h THR 20 CO 0.03 0.04 -1.09 0.00 -0.25 0.00 0.00 175.52 174.25 1wyl n ALA 21 N -2.50 -2.97 0.00 6.62 0.00 -0.73 -2.30 120.51 118.63 1wyl n ALA 21 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1wyl n ALA 21 Cb 0.13 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 2.46 2.48 3.68 0.00 0.00 -1.26 -5.00 105.19 107.55 1wyl n GLY 22 Ca 0.08 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 45.11 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 2.43 -2.17 1.61 4.19 -0.97 -4.91 117.16 117.34 1wyl n TYR 23 Ca 0.00 0.09 -0.42 0.00 3.31 0.00 0.00 57.90 60.87 1wyl n TYR 23 Cb 0.00 -2.63 -0.03 0.00 0.49 0.00 0.00 39.34 37.18 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 1.97 4.24 0.00 2.98 0.04 -1.26 -3.06 135.00 139.91 1wyl s PRO 24 Ca 0.82 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1wyl s PRO 24 Cb -0.61 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1wyl s PRO 24 CO 0.40 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1wyl n GLY 25 N 3.80 3.09 3.60 0.56 0.00 -1.26 -5.01 105.19 109.97 1wyl n GLY 25 Ca 0.15 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.06 3.74 -0.48 1.61 1.01 -1.17 -4.90 120.40 119.15 1wyl s VAL 26 Ca 0.00 0.75 0.08 0.00 0.00 0.00 0.00 61.98 62.81 1wyl s VAL 26 Cb 0.00 -4.03 0.34 0.00 0.00 0.00 0.00 36.38 32.68 1wyl s VAL 26 CO 0.00 -0.68 0.83 0.00 0.00 0.00 0.00 175.10 175.25 1wyl n HIS 27 N 9.43 2.16 -1.54 5.22 1.44 -1.26 -4.78 115.22 125.89 1wyl n HIS 27 Ca 0.18 -3.91 -0.56 0.00 -2.01 0.00 0.00 57.72 51.43 1wyl n HIS 27 Cb 0.48 -0.46 -0.08 0.00 0.12 0.00 0.00 29.99 30.05 1wyl n HIS 27 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1wyl n VAL 28 N 0.08 0.21 -0.01 0.61 0.31 -1.26 -4.78 118.33 113.50 1wyl n VAL 28 Ca 0.28 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1wyl n VAL 28 Cb 0.52 -1.24 -0.02 0.00 -0.91 0.00 0.00 33.84 32.19 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 7.28 4.47 -3.59 4.52 3.41 -1.26 -4.83 113.62 123.61 1wyl n SER 29 Ca 0.36 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1wyl n SER 29 Cb 0.13 0.85 -0.06 0.00 -0.26 0.00 0.00 64.21 64.87 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 -2.73 -0.53 -0.50 4.04 1.01 -1.26 -5.04 116.67 111.66 1wyl s ASP 30 Ca -0.01 0.81 -0.07 0.00 0.71 0.00 0.00 52.55 54.00 1wyl s ASP 30 Cb 0.01 0.75 -0.19 0.00 1.01 0.00 0.00 42.92 44.50 1wyl s ASP 30 CO 0.09 -0.33 3.19 0.18 0.21 0.00 0.00 175.17 178.52 1wyl n LEU 31 N 1.59 5.91 0.01 1.23 4.32 -1.26 -3.65 117.00 125.16 1wyl n LEU 31 Ca -0.14 -3.34 -0.00 0.00 -0.02 0.00 0.00 56.01 52.51 1wyl n LEU 31 Cb 0.57 -1.36 -0.00 0.00 -1.62 0.00 0.00 43.42 41.00 1wyl n LEU 31 CO 0.11 1.62 -0.00 -0.24 -1.22 0.00 0.00 177.39 177.66 1wyl n SER 32 N 2.93 0.34 0.00 -1.43 2.88 -1.26 -4.92 113.62 112.16 1wyl n SER 32 Ca 0.51 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1wyl n SER 32 Cb 0.63 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 -2.80 4.26 0.11 -3.46 7.64 -1.26 -4.52 113.62 113.59 1wyl n SER 33 Ca -0.00 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.07 1wyl n SER 33 Cb 0.00 0.56 0.63 0.00 -1.01 0.00 0.00 64.21 64.40 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 -1.94 0.86 113.55 119.77 1wyl h SER 34 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wyl h SER 34 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1wyl h SER 34 CO 0.00 0.00 -1.86 0.79 -0.53 0.00 0.00 176.83 175.23 1wyl n TRP 35 N -3.30 0.00 -0.05 2.24 7.02 -1.26 -4.35 117.44 117.73 1wyl n TRP 35 Ca 0.08 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.60 1wyl n TRP 35 Cb 0.78 -0.43 0.40 0.00 -2.42 0.00 0.00 31.31 29.64 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 1.91 1.69 -0.00 6.99 0.00 0.58 -2.84 119.26 127.60 1wyl h ALA 36 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1wyl h ALA 36 Cb 0.89 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1wyl h ALA 36 CO 0.00 0.28 -0.36 0.22 0.00 0.00 0.00 179.25 179.39 1wyl h ASP 37 N 0.63 -1.07 0.00 0.00 3.58 -1.72 -3.34 116.42 114.49 1wyl h ASP 37 Ca 0.19 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1wyl h ASP 37 Cb -0.02 0.43 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1wyl h ASP 37 CO -0.04 -0.41 0.00 0.61 -2.88 0.00 0.00 179.24 176.51 1wyl n GLY 38 N -1.43 3.60 0.29 -0.78 0.00 -1.07 -4.06 105.19 101.74 1wyl n GLY 38 Ca -0.05 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.11 -0.57 0.99 3.38 -1.86 -2.05 115.31 115.08 1wyl h LEU 39 Ca 0.00 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.20 1wyl h LEU 39 Cb 0.00 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1wyl h LEU 39 CO 0.00 -0.13 -0.34 0.00 0.09 0.00 0.00 178.44 178.06 1wyl n ALA 40 N -2.77 -0.37 -0.16 1.53 0.00 -1.26 0.12 120.51 117.60 1wyl n ALA 40 Ca 0.17 0.49 0.09 0.00 0.00 0.00 0.00 53.44 54.18 1wyl n ALA 40 Cb 0.55 0.07 0.40 0.00 0.00 0.00 0.00 19.45 20.47 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 -0.07 0.00 3.38 -1.66 -2.03 115.31 115.49 1wyl h LEU 41 Ca 0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1wyl h LEU 41 Cb 0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wyl h LEU 41 CO -0.54 0.35 0.05 0.00 0.09 0.00 0.00 178.44 178.39 1wyl h ALA 43 N 1.01 0.22 -0.38 0.00 0.00 -0.01 0.23 119.26 120.32 1wyl h ALA 43 Ca 0.03 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1wyl h ALA 43 Cb 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1wyl h ALA 43 CO -0.01 -0.39 0.11 1.25 0.00 0.00 0.00 179.25 180.21 1wyl h LEU 44 N 0.12 0.08 0.39 0.00 5.85 -1.30 0.38 115.31 120.84 1wyl h LEU 44 Ca 0.10 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1wyl h LEU 44 Cb 0.11 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1wyl h LEU 44 CO -0.15 0.08 -0.19 0.58 -0.34 0.00 0.00 178.44 178.43 1wyl h VAL 45 N 0.25 0.00 -0.86 1.05 2.07 -0.91 -1.34 116.25 116.50 1wyl h VAL 45 Ca 0.18 -0.16 0.21 0.00 0.82 0.00 0.00 66.70 67.74 1wyl h VAL 45 Cb 0.18 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.80 1wyl h VAL 45 CO -0.21 0.00 -0.02 1.88 0.02 0.00 0.00 177.57 179.25 1wyl h TYR 46 N -0.69 -0.11 0.82 1.57 0.05 -0.55 -1.41 116.97 116.65 1wyl h TYR 46 Ca -0.05 0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1wyl h TYR 46 Cb 0.41 0.18 0.01 0.00 1.01 0.00 0.00 36.73 38.34 1wyl h TYR 46 CO 0.07 -0.33 -0.39 -0.09 -1.05 0.00 0.00 178.16 176.37 1wyl h ARG 47 N 0.06 -1.06 -1.29 4.88 9.65 -0.94 -2.64 114.38 123.04 1wyl h ARG 47 Ca 0.48 0.07 0.44 0.00 -1.10 0.00 0.00 59.98 59.88 1wyl h ARG 47 Cb 0.89 0.24 -0.12 0.00 -1.39 0.00 0.00 29.97 29.59 1wyl h ARG 47 CO -0.79 -0.71 0.83 1.28 2.80 0.00 0.00 179.97 183.38 1wyl n LEU 48 N -4.99 0.18 -3.66 3.80 4.77 -0.51 -3.12 117.00 113.46 1wyl n LEU 48 Ca -0.14 1.23 -0.30 0.00 -0.03 0.00 0.00 56.01 56.78 1wyl n LEU 48 Cb 0.43 -0.61 -0.15 0.00 -2.33 0.00 0.00 43.42 40.77 1wyl n LEU 48 CO 0.33 -1.34 -0.32 -1.10 -1.33 0.00 0.00 177.39 173.63 1wyl s GLN 49 N -5.06 0.60 0.32 3.23 -0.21 -0.86 -4.98 119.66 112.70 1wyl s GLN 49 Ca -0.07 -1.01 0.26 0.00 0.02 0.00 0.00 55.36 54.56 1wyl s GLN 49 Cb 0.28 -1.75 1.07 0.00 1.00 0.00 0.00 33.01 33.61 1wyl s GLN 49 CO 0.75 -1.02 1.77 -1.00 -2.12 0.00 0.00 175.29 173.66 1wyl h PRO 50 N 8.01 0.00 -0.18 2.91 0.13 -1.48 -3.13 132.00 138.26 1wyl h PRO 50 Ca -0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.91 1wyl h PRO 50 Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1wyl h PRO 50 CO 0.45 0.00 -0.22 0.78 -0.23 0.00 0.00 178.00 178.78 1wyl h GLY 51 N 2.16 0.52 -1.86 1.56 0.00 -1.92 -3.45 103.07 100.09 1wyl h GLY 51 Ca 0.00 -0.56 -0.53 0.00 0.00 0.00 0.00 47.33 46.25 1wyl h GLY 51 CO 0.00 0.50 -0.54 1.04 0.00 0.00 0.00 176.54 177.54 1wyl n LEU 52 N -4.43 -0.11 -4.08 3.11 4.77 -1.18 -4.95 117.00 110.13 1wyl n LEU 52 Ca -0.06 0.31 -0.22 0.00 -0.03 0.00 0.00 56.01 56.02 1wyl n LEU 52 Cb 0.42 -1.21 0.21 0.00 -2.33 0.00 0.00 43.42 40.51 1wyl n LEU 52 CO 0.42 -3.52 0.24 0.00 -1.33 0.00 0.00 177.39 173.20 1wyl n LEU 53 N -1.55 -0.79 -4.65 2.23 -0.00 -1.26 -5.03 117.00 105.95 1wyl n LEU 53 Ca 0.07 -0.62 -0.24 0.00 -0.00 0.00 0.00 56.01 55.22 1wyl n LEU 53 Cb 0.54 -0.86 -0.07 0.00 -0.00 0.00 0.00 43.42 43.03 1wyl n LEU 53 CO 0.51 -3.86 -0.33 -1.61 -0.00 0.00 0.00 177.39 172.09 1wyl s GLU 54 N -4.17 2.32 0.00 1.47 8.01 -1.26 -4.96 118.70 120.11 1wyl s GLU 54 Ca 0.48 -1.32 0.05 0.00 0.01 0.00 0.00 54.97 54.19 1wyl s GLU 54 Cb -0.08 -2.22 0.31 0.00 -4.31 0.00 0.00 34.13 27.83 1wyl s GLU 54 CO 0.40 0.39 0.78 -0.35 0.01 0.00 0.00 175.26 176.49 1wyl n PRO 55 N -0.63 0.49 -0.22 0.39 -0.04 -1.26 -4.16 135.00 129.57 1wyl n PRO 55 Ca -0.08 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.58 1wyl n PRO 55 Cb 0.58 -1.17 0.35 0.00 -0.04 0.00 0.00 33.50 33.22 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 -0.67 0.16 0.00 3.54 7.64 -1.26 0.24 113.62 123.28 1wyl n SER 56 Ca 0.04 0.86 -0.21 0.00 1.01 0.00 0.00 58.87 60.57 1wyl n SER 56 Cb 0.02 -0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 62.66 1wyl n SER 56 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1wyl h GLU 57 N 0.00 0.23 -0.41 1.43 5.08 -2.01 -3.33 114.58 115.58 1wyl h GLU 57 Ca 0.48 -0.39 0.12 0.00 -1.00 0.00 0.00 59.36 58.57 1wyl h GLU 57 Cb 1.40 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 1wyl h GLU 57 CO -0.36 1.19 0.51 -0.07 -1.00 0.00 0.00 179.01 179.28 1wyl h LEU 58 N -0.35 0.00 -0.53 1.33 4.07 0.28 -0.46 115.31 119.65 1wyl h LEU 58 Ca -0.29 0.00 0.07 0.00 0.08 0.00 0.00 57.88 57.74 1wyl h LEU 58 Cb 1.72 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.40 1wyl h LEU 58 CO 0.05 0.00 0.19 1.56 -1.08 0.00 0.00 178.44 179.16 1wyl h GLN 59 N 0.00 0.36 -0.93 1.13 4.20 -1.19 -1.83 115.11 116.85 1wyl h GLN 59 Ca 0.19 -0.02 -0.53 0.00 0.06 0.00 0.00 58.65 58.35 1wyl h GLN 59 Cb 1.21 -0.08 -0.29 0.00 0.30 0.00 0.00 27.48 28.62 1wyl h GLN 59 CO -0.00 0.24 0.61 0.41 -0.67 0.00 0.00 178.83 179.41 1wyl n GLY 60 N -1.27 4.97 3.86 3.46 0.00 -0.19 -4.97 105.19 111.06 1wyl n GLY 60 Ca 0.06 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.45 3.16 0.38 0.99 1.43 -0.69 -5.12 118.68 115.38 1wyl s LEU 61 Ca 0.58 -0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 1wyl s LEU 61 Cb 0.48 -1.71 -0.09 0.00 0.03 0.00 0.00 46.19 44.90 1wyl s LEU 61 CO 0.06 -0.77 0.82 -0.83 0.23 0.00 0.00 176.35 175.87 1wyl s GLY 62 N -4.14 2.26 0.34 -3.19 0.00 -1.26 -4.88 107.32 96.43 1wyl s GLY 62 Ca 0.44 0.11 0.13 0.00 0.00 0.00 0.00 44.72 45.40 1wyl s GLY 62 CO 0.26 0.34 1.52 0.00 0.00 0.00 0.00 173.10 175.21 1wyl n ALA 63 N -0.71 0.81 -0.03 3.20 0.00 -1.26 -0.62 120.51 121.90 1wyl n ALA 63 Ca 0.05 1.00 -0.10 0.00 0.00 0.00 0.00 53.44 54.39 1wyl n ALA 63 Cb 0.54 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 1wyl n ALA 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wyl h LEU 64 N 0.00 -0.05 -1.34 0.00 5.85 -1.88 -3.22 115.31 114.66 1wyl h LEU 64 Ca 0.73 -0.57 0.47 0.00 0.84 0.00 0.00 57.88 59.35 1wyl h LEU 64 Cb 1.81 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 42.72 1wyl h LEU 64 CO -0.80 0.68 0.85 -0.62 -0.34 0.00 0.00 178.44 178.21 1wyl n GLU 65 N -4.75 -0.04 0.08 1.25 -0.58 0.21 -1.07 120.64 115.74 1wyl n GLU 65 Ca -0.07 1.23 -0.03 0.00 -0.42 0.00 0.00 57.16 57.87 1wyl n GLU 65 Cb 0.30 -2.42 -0.02 0.00 -0.57 0.00 0.00 31.44 28.73 1wyl n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wyl h ALA 66 N 1.57 -0.57 -0.93 0.62 0.00 -1.34 -3.26 119.26 115.35 1wyl h ALA 66 Ca 0.86 -0.05 0.39 0.00 0.00 0.00 0.00 54.91 56.11 1wyl h ALA 66 Cb 2.76 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 20.47 1wyl h ALA 66 CO -0.47 -0.56 0.48 2.41 0.00 0.00 0.00 179.25 181.12 1wyl n THR 67 N -3.06 -0.39 -0.08 0.00 -1.04 -0.23 0.50 114.28 109.98 1wyl n THR 67 Ca -0.03 1.89 -0.07 0.00 -2.04 0.00 0.00 64.05 63.80 1wyl n THR 67 Cb 0.09 -3.06 -0.01 0.00 -1.82 0.00 0.00 70.33 65.53 1wyl n THR 67 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wyl h ALA 68 N 1.86 -0.04 0.67 2.41 0.00 -1.38 -1.88 119.26 120.89 1wyl h ALA 68 Ca 0.78 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.76 1wyl h ALA 68 Cb 2.06 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 20.35 1wyl h ALA 68 CO -0.72 -0.63 -0.41 2.35 0.00 0.00 0.00 179.25 179.84 1wyl h TRP 69 N -0.20 -1.11 -0.89 0.00 7.01 -0.01 -2.03 115.95 118.72 1wyl h TRP 69 Ca 0.16 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.26 1wyl h TRP 69 Cb 0.45 0.39 -0.13 0.00 -2.10 0.00 0.00 29.16 27.77 1wyl h TRP 69 CO -0.42 -0.62 -0.43 0.00 -2.79 0.00 0.00 178.44 174.19 1wyl n ALA 70 N -2.63 -0.32 -0.04 2.65 0.00 -1.09 0.21 120.51 119.30 1wyl n ALA 70 Ca -0.12 0.83 0.11 0.00 0.00 0.00 0.00 53.44 54.26 1wyl n ALA 70 Cb 0.42 -0.28 0.51 0.00 0.00 0.00 0.00 19.45 20.11 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 0.33 0.21 0.00 3.38 -1.25 0.24 115.31 118.22 1wyl h LEU 71 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1wyl h LEU 71 Cb 0.46 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wyl h LEU 71 CO -0.87 0.21 -0.10 0.50 0.09 0.00 0.00 178.44 178.27 1wyl h LYS 72 N 0.37 -0.27 -0.12 1.13 3.64 0.33 -1.45 116.57 120.19 1wyl h LYS 72 Ca 0.23 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.67 1wyl h LYS 72 Cb 0.44 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1wyl h LYS 72 CO -0.06 -0.18 0.22 0.28 -2.27 0.00 0.00 179.45 177.44 1wyl h VAL 73 N -0.61 0.26 0.00 2.00 2.07 -0.45 0.23 116.25 119.75 1wyl h VAL 73 Ca -0.03 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.27 1wyl h VAL 73 Cb 0.21 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1wyl h VAL 73 CO 0.05 0.00 -1.13 0.00 0.02 0.00 0.00 177.57 176.51 1wyl h ALA 74 N 1.68 0.48 0.00 1.67 0.00 -0.55 -1.73 119.26 120.81 1wyl h ALA 74 Ca 0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 54.91 53.94 1wyl h ALA 74 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1wyl h ALA 74 CO -0.00 1.27 -0.94 1.49 0.00 0.00 0.00 179.25 181.06 1wyl h GLU 75 N 0.00 0.00 0.00 0.00 4.22 0.39 1.68 114.58 120.86 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 1.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.04 1wyl h GLU 75 CO 0.11 0.07 -0.47 0.09 -2.18 0.00 0.00 179.01 176.63 1wyl n ASN 76 N -2.79 1.45 0.00 1.04 3.02 0.52 -3.86 115.26 114.64 1wyl n ASN 76 Ca -0.01 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1wyl n ASN 76 Cb 0.61 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1wyl n ASN 76 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wyl n GLU 77 N -4.11 0.00 -0.05 3.52 -0.58 -0.66 -4.05 120.64 114.70 1wyl n GLU 77 Ca -0.07 0.39 0.14 0.00 -0.42 0.00 0.00 57.16 57.20 1wyl n GLU 77 Cb 0.24 -0.98 0.55 0.00 -0.57 0.00 0.00 31.44 30.68 1wyl n GLU 77 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wyl h LEU 78 N 0.00 0.26 0.00 -4.62 3.38 -1.53 -3.45 115.31 109.35 1wyl h LEU 78 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wyl h LEU 78 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1wyl h LEU 78 CO 0.00 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.29 1wyl n GLY 79 N -1.55 0.94 3.56 0.83 0.00 0.37 -4.94 105.19 104.40 1wyl n GLY 79 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.74 3.34 0.20 -0.61 -1.09 0.48 -4.75 121.20 115.03 1wyl s ILE 80 Ca 0.00 -0.36 -0.30 0.00 -2.23 0.00 0.00 60.65 57.77 1wyl s ILE 80 Cb 0.00 -3.88 -0.16 0.00 -1.58 0.00 0.00 42.46 36.84 1wyl s ILE 80 CO 0.00 -0.70 0.80 0.41 -1.23 0.00 0.00 174.94 174.23 1wyl n THR 81 N 8.14 1.66 -2.04 2.92 -1.04 -1.26 -3.90 114.28 118.77 1wyl n THR 81 Ca 0.42 -0.42 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 1wyl n THR 81 Cb 0.46 -0.41 -0.04 0.00 -1.82 0.00 0.00 70.33 68.51 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 -0.98 2.57 0.44 -2.82 0.04 -1.26 -4.80 135.00 128.19 1wyl s PRO 82 Ca 0.66 0.07 0.23 0.00 0.04 0.00 0.00 61.00 62.00 1wyl s PRO 82 Cb -0.88 -4.80 0.96 0.00 0.04 0.00 0.00 34.50 29.82 1wyl s PRO 82 CO 0.57 -3.14 1.85 -0.24 0.04 0.00 0.00 177.00 176.08 1wyl h VAL 83 N 7.12 0.67 -3.00 -0.36 3.04 -1.94 -3.44 116.25 118.34 1wyl h VAL 83 Ca -0.04 -1.11 -0.62 0.00 -1.01 0.00 0.00 66.70 63.92 1wyl h VAL 83 Cb 1.07 1.72 -0.17 0.00 -2.01 0.00 0.00 31.29 31.89 1wyl h VAL 83 CO 1.21 0.24 -0.80 -0.69 -1.01 0.00 0.00 177.57 176.52 1wyl s VAL 84 N -3.77 2.26 -0.01 1.51 1.01 -1.26 -5.01 120.40 115.13 1wyl s VAL 84 Ca -0.00 -2.09 -0.28 0.00 0.00 0.00 0.00 61.98 59.61 1wyl s VAL 84 Cb 0.11 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1wyl s VAL 84 CO 0.64 -0.22 0.88 -0.44 0.00 0.00 0.00 175.10 175.96 1wyl s SER 85 N -2.86 7.25 0.30 3.32 0.01 -1.26 -4.92 113.70 115.54 1wyl s SER 85 Ca 0.22 1.51 0.06 0.00 1.31 0.00 0.00 55.95 59.05 1wyl s SER 85 Cb -0.07 -2.52 0.84 0.00 0.21 0.00 0.00 66.02 64.48 1wyl s SER 85 CO 0.10 -0.19 1.46 0.00 0.41 0.00 0.00 173.24 175.03 1wyl n ALA 86 N 3.72 0.59 -0.07 1.44 0.00 -1.26 0.95 120.51 125.88 1wyl n ALA 86 Ca 0.03 0.99 -0.11 0.00 0.00 0.00 0.00 53.44 54.35 1wyl n ALA 86 Cb 0.51 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.55 0.00 4.15 -1.96 -2.75 115.11 114.35 1wyl h GLN 87 Ca 0.62 -0.08 0.07 0.00 0.77 0.00 0.00 58.65 60.03 1wyl h GLN 87 Cb 1.38 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.96 1wyl h GLN 87 CO -0.84 0.46 0.22 0.00 -1.93 0.00 0.00 178.83 176.75 1wyl h ALA 88 N 0.88 0.70 0.05 3.38 0.00 0.20 1.30 119.26 125.77 1wyl h ALA 88 Ca 0.07 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1wyl h ALA 88 Cb 0.26 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1wyl h ALA 88 CO -0.00 -0.17 -0.20 0.28 0.00 0.00 0.00 179.25 179.16 1wyl h VAL 89 N 0.42 0.53 0.10 0.00 2.07 -1.03 -1.23 116.25 117.11 1wyl h VAL 89 Ca 0.27 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 1wyl h VAL 89 Cb 0.28 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1wyl h VAL 89 CO -0.25 0.00 -0.05 0.58 0.02 0.00 0.00 177.57 177.87 1wyl h VAL 90 N -0.35 0.00 -1.18 2.57 2.07 -1.16 -3.31 116.25 114.89 1wyl h VAL 90 Ca 0.04 -0.42 0.40 0.00 0.82 0.00 0.00 66.70 67.54 1wyl h VAL 90 Cb 0.40 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.06 1wyl h VAL 90 CO -0.16 0.00 0.77 0.00 0.02 0.00 0.00 177.57 178.20 1wyl n ALA 91 N -2.40 1.17 -2.04 1.67 0.00 0.44 -4.76 120.51 114.60 1wyl n ALA 91 Ca -0.02 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1wyl n ALA 91 Cb 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.45 0.63 0.16 0.00 0.00 -0.49 -5.01 105.19 99.03 1wyl n GLY 92 Ca 0.34 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.08 2.03 -4.13 1.61 2.88 -1.07 -4.80 113.62 110.07 1wyl n SER 93 Ca 0.00 0.04 -0.38 0.00 -1.33 0.00 0.00 58.87 57.20 1wyl n SER 93 Cb 0.47 -0.50 -0.08 0.00 -0.75 0.00 0.00 64.21 63.35 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 -6.61 5.65 0.38 -3.46 1.11 -1.25 -4.90 116.67 107.59 1wyl s ASP 94 Ca -0.32 -3.11 0.17 0.00 0.18 0.00 0.00 52.55 49.47 1wyl s ASP 94 Cb 0.10 -1.91 0.76 0.00 1.07 0.00 0.00 42.92 42.94 1wyl s ASP 94 CO 0.49 -0.33 1.79 1.55 1.18 0.00 0.00 175.17 179.85 1wyl h PRO 95 N 6.79 0.00 -0.03 8.23 0.13 -1.88 -3.18 132.00 142.07 1wyl h PRO 95 Ca 0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.09 1wyl h PRO 95 Cb 0.92 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.06 1wyl h PRO 95 CO 0.76 0.37 -0.34 -0.07 -0.23 0.00 0.00 178.00 178.48 1wyl h LEU 96 N 0.00 0.35 -0.50 1.56 4.07 -1.96 -3.30 115.31 115.54 1wyl h LEU 96 Ca -0.00 -0.72 0.10 0.00 0.08 0.00 0.00 57.88 57.34 1wyl h LEU 96 Cb 0.77 -0.11 -0.10 0.00 1.08 0.00 0.00 40.66 42.31 1wyl h LEU 96 CO 0.05 1.02 -0.14 1.23 -1.08 0.00 0.00 178.44 179.51 1wyl h GLY 97 N -0.28 0.32 -0.11 0.83 0.00 -1.95 -1.81 103.07 100.07 1wyl h GLY 97 Ca -0.03 0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.57 1wyl h GLY 97 CO 0.07 -0.20 -0.27 -2.00 0.00 0.00 0.00 176.54 174.14 1wyl h LEU 98 N -0.02 -0.90 -0.20 3.11 5.85 -1.65 0.67 115.31 122.17 1wyl h LEU 98 Ca 0.24 0.18 0.05 0.00 0.84 0.00 0.00 57.88 59.19 1wyl h LEU 98 Cb 0.39 0.45 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 1wyl h LEU 98 CO -0.52 -0.28 -0.34 0.40 -0.34 0.00 0.00 178.44 177.35 1wyl h ILE 99 N -0.20 0.24 -0.51 4.05 2.04 -1.41 0.53 117.51 122.25 1wyl h ILE 99 Ca 0.19 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.12 1wyl h ILE 99 Cb 0.50 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1wyl h ILE 99 CO -0.52 0.00 0.34 0.00 0.00 0.00 0.00 178.15 177.97 1wyl h ALA 100 N 0.44 1.95 0.23 1.87 0.00 -0.92 -1.75 119.26 121.08 1wyl h ALA 100 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wyl h ALA 100 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wyl h ALA 100 CO -0.41 -0.04 -0.11 -0.92 0.00 0.00 0.00 179.25 177.77 1wyl h TYR 101 N 0.41 -0.29 -0.81 0.00 3.20 0.12 -3.06 116.97 116.53 1wyl h TYR 101 Ca 0.22 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.16 1wyl h TYR 101 Cb 0.36 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 1wyl h TYR 101 CO -0.00 0.02 0.48 -0.07 -1.64 0.00 0.00 178.16 176.96 1wyl h LEU 102 N -0.62 0.74 -0.92 2.82 3.38 -0.63 -1.75 115.31 118.34 1wyl h LEU 102 Ca -0.03 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.15 1wyl h LEU 102 Cb 0.44 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 40.96 1wyl h LEU 102 CO 0.05 0.46 0.49 0.77 0.09 0.00 0.00 178.44 180.30 1wyl h SER 103 N 0.87 0.57 -0.95 -0.43 4.64 -1.29 0.14 113.55 117.10 1wyl h SER 103 Ca 0.36 0.11 0.13 0.00 -0.47 0.00 0.00 61.79 61.92 1wyl h SER 103 Cb 0.22 0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 62.25 1wyl h SER 103 CO -0.19 0.18 0.60 0.45 -0.87 0.00 0.00 176.83 177.00 1wyl h HIS 104 N 0.61 1.00 0.25 4.77 3.86 -1.22 0.43 115.15 124.86 1wyl h HIS 104 Ca 0.53 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.76 1wyl h HIS 104 Cb 0.86 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1wyl h HIS 104 CO -0.07 0.39 -0.12 0.74 0.86 0.00 0.00 177.93 179.72 1wyl h PHE 105 N 0.86 -0.32 0.00 2.45 -1.00 -0.76 -3.12 116.94 115.06 1wyl h PHE 105 Ca 0.47 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 61.26 1wyl h PHE 105 Cb 0.58 0.10 -0.05 0.00 3.61 0.00 0.00 35.95 40.20 1wyl h PHE 105 CO -0.00 -0.20 -0.46 1.25 -1.61 0.00 0.00 178.31 177.29 1wyl h HIS 106 N -0.42 -1.36 -1.56 -0.55 2.76 -1.36 0.23 115.15 112.88 1wyl h HIS 106 Ca -0.03 0.04 0.46 0.00 -2.20 0.00 0.00 60.37 58.64 1wyl h HIS 106 Cb 0.26 0.59 -0.07 0.00 1.55 0.00 0.00 27.41 29.74 1wyl h HIS 106 CO 0.12 -0.50 1.11 0.43 -1.30 0.00 0.00 177.93 177.79 1wyl n SER 107 N -5.04 0.02 -0.07 3.26 7.64 0.13 0.19 113.62 119.75 1wyl n SER 107 Ca -0.06 0.86 -0.22 0.00 1.01 0.00 0.00 58.87 60.45 1wyl n SER 107 Cb 0.34 -0.43 -0.12 0.00 -1.01 0.00 0.00 64.21 62.99 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 -2.73 0.91 -1.27 -0.43 0.00 0.04 -4.31 120.51 112.73 1wyl n ALA 108 Ca 0.36 -0.63 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 1wyl n ALA 108 Cb 1.61 -0.50 0.13 0.00 0.00 0.00 0.00 19.45 20.69 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 -4.01 3.13 -1.65 0.00 3.72 0.31 -4.98 117.46 113.99 1wyl n PHE 109 Ca -0.36 -2.45 -0.43 0.00 -0.05 0.00 0.00 57.45 54.16 1wyl n PHE 109 Cb 0.85 -1.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.15 1wyl n PHE 109 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1wyl n LYS 110 N -1.01 2.62 -3.57 -1.08 5.02 0.50 -4.84 118.16 115.80 1wyl n LYS 110 Ca 0.61 0.93 -0.05 0.00 -2.02 0.00 0.00 58.31 57.78 1wyl n LYS 110 Cb 1.14 -3.00 -0.02 0.00 -0.02 0.00 0.00 35.03 33.13 1wyl n LYS 110 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wyl s SER 111 N 5.11 -0.21 0.00 4.39 1.04 -1.26 -5.07 113.70 117.69 1wyl s SER 111 Ca 0.92 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 57.33 1wyl s SER 111 Cb -0.45 0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1wyl s SER 111 CO 0.42 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1wyl n GLY 112 N -0.17 -0.53 0.27 7.32 0.00 -1.26 -4.98 105.19 105.83 1wyl n GLY 112 Ca -0.03 -1.14 0.16 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 0.00 -4.56 1.61 0.13 -2.05 -3.40 132.00 123.73 1wyl h PRO 113 Ca 0.00 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.42 1wyl h PRO 113 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 1wyl h PRO 113 CO 0.00 0.05 -0.47 -1.54 -0.23 0.00 0.00 178.00 175.81 1wyl s SER 114 N -5.80 5.94 0.32 1.44 1.04 -1.26 -5.08 113.70 110.30 1wyl s SER 114 Ca 0.01 -0.89 0.05 0.00 0.48 0.00 0.00 55.95 55.59 1wyl s SER 114 Cb 0.10 -2.10 -0.02 0.00 0.10 0.00 0.00 66.02 64.10 1wyl s SER 114 CO 0.56 -0.40 0.46 -0.94 0.98 0.00 0.00 173.24 173.90 1wyl s SER 115 N 1.63 6.07 0.00 7.02 1.04 -1.26 -5.05 113.70 123.15 1wyl s SER 115 Ca 0.04 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wyl s SER 115 Cb -0.19 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1wyl s SER 115 CO 0.09 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.57