#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 -3.73 -4.47 1.61 2.88 -1.26 -5.05 113.62 103.61 1wyl n SER 2 Ca 0.00 -0.27 -0.23 0.00 -1.33 0.00 0.00 58.87 57.04 1wyl n SER 2 Cb 0.00 -2.70 -0.10 0.00 -0.75 0.00 0.00 64.21 60.66 1wyl n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wyl s SER 3 N -3.25 3.40 -0.21 -3.46 1.04 -1.26 -5.14 113.70 104.82 1wyl s SER 3 Ca 0.23 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.54 1wyl s SER 3 Cb -0.10 -0.28 0.10 0.00 0.10 0.00 0.00 66.02 65.85 1wyl s SER 3 CO 0.35 -0.09 0.27 -0.83 0.98 0.00 0.00 173.24 173.92 1wyl s GLY 4 N -3.50 -0.13 -1.00 7.32 0.00 -1.26 -5.09 107.32 103.67 1wyl s GLY 4 Ca 0.29 0.47 -0.23 0.00 0.00 0.00 0.00 44.72 45.25 1wyl s GLY 4 CO 0.14 2.30 1.41 -1.35 0.00 0.00 0.00 173.10 175.60 1wyl s SER 5 N 2.39 6.50 0.24 1.64 1.04 -1.26 -4.84 113.70 119.42 1wyl s SER 5 Ca 0.09 -1.48 -0.04 0.00 0.48 0.00 0.00 55.95 54.99 1wyl s SER 5 Cb -0.16 -2.55 0.40 0.00 0.10 0.00 0.00 66.02 63.81 1wyl s SER 5 CO -0.13 -1.47 1.80 0.28 0.98 0.00 0.00 173.24 174.69 1wyl h SER 6 N 9.70 0.61 -3.46 7.02 0.02 -1.98 -3.33 113.55 122.13 1wyl h SER 6 Ca 0.18 0.06 -0.74 0.00 -0.84 0.00 0.00 61.79 60.45 1wyl h SER 6 Cb 1.01 -0.06 -0.29 0.00 0.14 0.00 0.00 62.40 63.21 1wyl h SER 6 CO 1.39 0.34 -0.28 -0.83 -1.14 0.00 0.00 176.83 176.30 1wyl s GLY 7 N -3.28 2.21 0.04 -3.77 0.00 -1.26 -4.94 107.32 96.32 1wyl s GLY 7 Ca -0.12 -2.76 -0.10 0.00 0.00 0.00 0.00 44.72 41.73 1wyl s GLY 7 CO 0.78 1.15 0.20 -1.08 0.00 0.00 0.00 173.10 174.15 1wyl s THR 8 N 1.01 0.11 0.63 0.90 -1.32 -1.25 -5.01 115.64 110.70 1wyl s THR 8 Ca 0.09 -0.89 0.23 0.00 -1.21 0.00 0.00 61.69 59.91 1wyl s THR 8 Cb -0.23 -0.94 0.29 0.00 -1.51 0.00 0.00 72.50 70.11 1wyl s THR 8 CO -0.02 -0.49 1.60 1.56 -2.21 0.00 0.00 174.62 175.05 1wyl h GLN 9 N 3.39 0.00 -0.71 7.08 4.20 -1.96 -1.61 115.11 125.51 1wyl h GLN 9 Ca -0.32 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.51 1wyl h GLN 9 Cb 1.19 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.84 1wyl h GLN 9 CO 0.48 0.00 -0.31 1.49 -0.67 0.00 0.00 178.83 179.82 1wyl h GLU 10 N 0.00 -0.09 -0.56 1.46 4.81 -1.95 0.18 114.58 118.42 1wyl h GLU 10 Ca 0.18 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 1wyl h GLU 10 Cb 1.60 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.98 1wyl h GLU 10 CO -0.00 -0.06 -0.10 1.49 -0.73 0.00 0.00 179.01 179.61 1wyl h GLU 11 N -0.09 1.05 -0.87 1.92 4.81 -1.65 -2.43 114.58 117.31 1wyl h GLU 11 Ca 0.29 -0.38 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1wyl h GLU 11 Cb 0.56 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 1wyl h GLU 11 CO -0.76 1.08 0.52 1.25 -0.73 0.00 0.00 179.01 180.36 1wyl h LEU 12 N 0.93 0.76 -0.13 1.64 5.85 -0.89 0.28 115.31 123.74 1wyl h LEU 12 Ca 0.15 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1wyl h LEU 12 Cb 0.67 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1wyl h LEU 12 CO 0.05 0.44 -0.11 0.25 -0.34 0.00 0.00 178.44 178.72 1wyl h LEU 13 N 0.87 0.33 -0.46 2.25 5.85 -0.64 -2.61 115.31 120.91 1wyl h LEU 13 Ca 0.41 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1wyl h LEU 13 Cb 0.35 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1wyl h LEU 13 CO -0.24 0.73 0.20 0.03 -0.34 0.00 0.00 178.44 178.82 1wyl h ARG 14 N -0.06 0.39 0.01 1.25 2.47 -0.93 -0.90 114.38 116.62 1wyl h ARG 14 Ca 0.02 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1wyl h ARG 14 Cb 0.62 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 1wyl h ARG 14 CO 0.03 0.26 -0.08 2.35 0.56 0.00 0.00 179.97 183.09 1wyl h TRP 15 N 0.40 -0.20 -0.72 3.04 7.01 -0.97 -2.12 115.95 122.39 1wyl h TRP 15 Ca 0.21 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.27 1wyl h TRP 15 Cb 0.16 0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.26 1wyl h TRP 15 CO -0.12 -0.12 0.47 0.00 -2.79 0.00 0.00 178.44 175.88 1wyl h GLN 17 N 0.76 0.94 -0.29 0.00 4.20 -0.52 0.27 115.11 120.47 1wyl h GLN 17 Ca 0.31 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.80 1wyl h GLN 17 Cb 0.24 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1wyl h GLN 17 CO -0.10 0.70 -0.29 0.93 -0.67 0.00 0.00 178.83 179.39 1wyl h GLU 18 N 0.95 0.60 0.09 1.46 4.39 -0.77 -1.06 114.58 120.24 1wyl h GLU 18 Ca 0.24 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1wyl h GLU 18 Cb 0.03 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1wyl h GLU 18 CO -0.04 0.83 -0.05 1.96 -1.16 0.00 0.00 179.01 180.55 1wyl h GLN 19 N 0.52 -0.12 -0.02 2.33 1.08 -1.07 -3.29 115.11 114.54 1wyl h GLN 19 Ca 0.07 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1wyl h GLN 19 Cb 0.77 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1wyl h GLN 19 CO 0.06 -0.01 0.13 1.79 -0.95 0.00 0.00 178.83 179.85 1wyl h THR 20 N -1.03 0.06 -3.18 -0.54 1.35 -0.59 -3.44 112.91 105.54 1wyl h THR 20 Ca -0.01 0.00 -0.56 0.00 -0.55 0.00 0.00 66.41 65.29 1wyl h THR 20 Cb 0.17 0.87 0.19 0.00 -1.73 0.00 0.00 68.15 67.65 1wyl h THR 20 CO 0.02 0.00 -0.45 0.00 -0.25 0.00 0.00 175.52 174.85 1wyl n ALA 21 N -2.04 -1.67 0.00 6.62 0.00 -0.40 -2.97 120.51 120.05 1wyl n ALA 21 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1wyl n ALA 21 Cb 0.20 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 1.68 2.21 3.58 0.00 0.00 -1.26 -4.99 105.19 106.40 1wyl n GLY 22 Ca 0.10 -0.38 -0.56 0.00 0.00 0.00 0.00 46.02 45.18 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 1.24 -2.14 1.61 4.19 -1.16 -4.83 117.16 116.07 1wyl n TYR 23 Ca 0.00 0.83 -0.43 0.00 3.31 0.00 0.00 57.90 61.61 1wyl n TYR 23 Cb 0.00 -2.24 -0.03 0.00 0.49 0.00 0.00 39.34 37.56 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 0.72 4.06 0.00 2.98 0.04 -1.26 -3.08 135.00 138.47 1wyl s PRO 24 Ca 0.90 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.82 1wyl s PRO 24 Cb -1.12 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 29.47 1wyl s PRO 24 CO 0.55 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1wyl n GLY 25 N 4.19 3.09 3.60 0.56 0.00 -1.26 -5.02 105.19 110.34 1wyl n GLY 25 Ca 0.17 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1wyl n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wyl s VAL 26 N -0.61 3.43 -0.53 1.61 1.01 -1.18 -4.90 120.40 119.23 1wyl s VAL 26 Ca 0.00 0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.48 1wyl s VAL 26 Cb 0.00 -3.61 0.27 0.00 0.00 0.00 0.00 36.38 33.03 1wyl s VAL 26 CO 0.00 -0.41 0.70 0.00 0.00 0.00 0.00 175.10 175.39 1wyl n HIS 27 N 10.61 2.19 -1.53 5.22 1.44 -1.26 -4.80 115.22 127.09 1wyl n HIS 27 Ca 0.23 -3.93 -0.37 0.00 -2.01 0.00 0.00 57.72 51.65 1wyl n HIS 27 Cb 0.47 -0.48 -0.07 0.00 0.12 0.00 0.00 29.99 30.03 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 0.85 -0.06 -0.10 0.61 0.31 -1.26 -4.71 118.33 113.96 1wyl n VAL 28 Ca 0.27 -0.54 -0.11 0.00 -0.01 0.00 0.00 64.34 63.94 1wyl n VAL 28 Cb 0.46 -2.03 -0.14 0.00 -0.91 0.00 0.00 33.84 31.22 1wyl n VAL 28 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wyl n SER 29 N 14.21 0.66 -3.58 4.52 2.88 -1.26 -4.89 113.62 126.17 1wyl n SER 29 Ca 0.47 -0.03 -0.14 0.00 -1.33 0.00 0.00 58.87 57.84 1wyl n SER 29 Cb 0.38 0.65 -0.06 0.00 -0.75 0.00 0.00 64.21 64.43 1wyl n SER 29 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1wyl s ASP 30 N -5.62 -0.60 -0.55 -3.46 1.01 -1.26 -5.04 116.67 101.15 1wyl s ASP 30 Ca -0.15 0.89 -0.06 0.00 0.71 0.00 0.00 52.55 53.94 1wyl s ASP 30 Cb 0.06 0.81 -0.17 0.00 1.01 0.00 0.00 42.92 44.64 1wyl s ASP 30 CO 0.74 -0.39 2.94 0.18 0.21 0.00 0.00 175.17 178.86 1wyl n LEU 31 N 1.59 5.61 0.04 1.23 4.32 -1.26 -3.15 117.00 125.37 1wyl n LEU 31 Ca -0.15 -3.19 0.00 0.00 -0.02 0.00 0.00 56.01 52.65 1wyl n LEU 31 Cb 0.56 -1.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.09 1wyl n LEU 31 CO 0.13 1.43 0.00 -0.24 -1.22 0.00 0.00 177.39 177.49 1wyl n SER 32 N 3.07 0.26 0.00 -1.43 2.88 -1.26 -4.94 113.62 112.21 1wyl n SER 32 Ca 0.48 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1wyl n SER 32 Cb 0.54 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -2.92 1.87 0.32 -3.46 7.64 -1.25 -4.49 113.62 111.33 1wyl n SER 33 Ca 0.00 -0.24 0.20 0.00 1.01 0.00 0.00 58.87 59.84 1wyl n SER 33 Cb 0.00 0.86 1.10 0.00 -1.01 0.00 0.00 64.21 65.16 1wyl n SER 33 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wyl h SER 34 N 0.00 0.00 0.00 6.43 0.87 -1.92 -1.34 113.55 117.59 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 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1wyl h SER 34 CO 0.00 0.00 -1.49 0.79 -0.53 0.00 0.00 176.83 175.60 1wyl n TRP 35 N -3.39 0.00 -0.28 2.24 7.02 -1.26 -4.47 117.44 117.30 1wyl n TRP 35 Ca -0.03 0.00 0.23 0.00 -1.02 0.00 0.00 57.50 56.68 1wyl n TRP 35 Cb 0.08 -0.28 0.55 0.00 -2.42 0.00 0.00 31.31 29.24 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 1.57 2.37 0.56 6.99 0.00 -1.40 -1.71 119.26 127.63 1wyl h ALA 36 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1wyl h ALA 36 Cb 0.63 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1wyl h ALA 36 CO 0.00 -0.71 -0.43 0.22 0.00 0.00 0.00 179.25 178.33 1wyl h ASP 37 N 0.32 -1.14 0.00 0.00 3.58 -1.78 -3.35 116.42 114.04 1wyl h ASP 37 Ca 0.53 0.08 0.00 0.00 0.42 0.00 0.00 57.03 58.06 1wyl h ASP 37 Cb 1.48 0.36 0.00 0.00 1.72 0.00 0.00 39.33 42.89 1wyl h ASP 37 CO -0.20 -0.63 0.00 0.61 -2.88 0.00 0.00 179.24 176.15 1wyl n GLY 38 N -1.54 4.03 0.23 -0.78 0.00 -0.65 -4.04 105.19 102.44 1wyl n GLY 38 Ca -0.12 -0.92 0.01 0.00 0.00 0.00 0.00 46.02 44.99 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 0.08 -0.54 0.99 3.38 -1.84 -2.73 115.31 114.66 1wyl h LEU 39 Ca 0.00 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1wyl h LEU 39 Cb 0.00 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1wyl h LEU 39 CO 0.00 0.05 -0.32 0.00 0.09 0.00 0.00 178.44 178.26 1wyl n ALA 40 N -2.55 -0.35 -0.17 1.53 0.00 -1.26 0.15 120.51 117.86 1wyl n ALA 40 Ca 0.09 0.46 0.09 0.00 0.00 0.00 0.00 53.44 54.08 1wyl n ALA 40 Cb 0.31 0.06 0.40 0.00 0.00 0.00 0.00 19.45 20.22 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 0.58 -0.38 0.00 3.38 -1.80 -1.65 115.31 115.44 1wyl h LEU 41 Ca 0.09 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1wyl h LEU 41 Cb 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1wyl h LEU 41 CO -0.51 0.36 0.17 0.00 0.09 0.00 0.00 178.44 178.55 1wyl h ALA 43 N 1.02 0.24 -0.87 0.00 0.00 0.43 0.12 119.26 120.20 1wyl h ALA 43 Ca 0.13 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1wyl h ALA 43 Cb 0.14 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1wyl h ALA 43 CO -0.01 -0.19 0.54 1.25 0.00 0.00 0.00 179.25 180.84 1wyl h LEU 44 N 0.16 0.86 0.43 0.00 5.85 -1.25 0.19 115.31 121.56 1wyl h LEU 44 Ca 0.06 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1wyl h LEU 44 Cb 0.14 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1wyl h LEU 44 CO -0.01 0.55 -0.21 0.58 -0.34 0.00 0.00 178.44 179.02 1wyl h VAL 45 N 1.00 0.11 -0.54 1.05 2.07 -1.07 -2.20 116.25 116.67 1wyl h VAL 45 Ca 0.38 -0.59 0.11 0.00 0.82 0.00 0.00 66.70 67.41 1wyl h VAL 45 Cb 0.15 0.18 -0.11 0.00 -1.52 0.00 0.00 31.29 29.99 1wyl h VAL 45 CO -0.17 0.03 -0.21 1.88 0.02 0.00 0.00 177.57 179.12 1wyl h TYR 46 N -1.12 -0.51 0.41 1.57 0.05 -0.68 -2.16 116.97 114.53 1wyl h TYR 46 Ca -0.06 0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1wyl h TYR 46 Cb 0.49 0.31 -0.00 0.00 1.01 0.00 0.00 36.73 38.53 1wyl h TYR 46 CO 0.01 -0.30 -0.28 0.00 -1.05 0.00 0.00 178.16 176.54 1wyl h ARG 47 N -0.08 -0.63 -0.79 4.88 2.47 -1.05 -2.58 114.38 116.59 1wyl h ARG 47 Ca 0.25 0.04 0.30 0.00 -1.26 0.00 0.00 59.98 59.31 1wyl h ARG 47 Cb 0.47 0.14 -0.14 0.00 -1.65 0.00 0.00 29.97 28.79 1wyl h ARG 47 CO -0.59 -0.42 0.31 1.28 0.56 0.00 0.00 179.97 181.10 1wyl n LEU 48 N -4.09 0.17 -3.80 3.04 4.77 -0.83 -3.14 117.00 113.12 1wyl n LEU 48 Ca -0.08 1.33 -0.30 0.00 -0.03 0.00 0.00 56.01 56.93 1wyl n LEU 48 Cb 0.28 -0.60 -0.15 0.00 -2.33 0.00 0.00 43.42 40.62 1wyl n LEU 48 CO 0.18 -1.44 -0.33 -1.58 -1.33 0.00 0.00 177.39 172.89 1wyl s GLN 49 N -5.36 0.89 0.49 3.23 0.74 -0.84 -4.98 119.66 113.84 1wyl s GLN 49 Ca -0.08 -1.23 0.28 0.00 0.05 0.00 0.00 55.36 54.38 1wyl s GLN 49 Cb 0.26 -2.26 1.17 0.00 1.10 0.00 0.00 33.01 33.28 1wyl s GLN 49 CO 0.62 -0.96 1.92 -1.00 -0.55 0.00 0.00 175.29 175.32 1wyl h PRO 50 N 7.99 0.00 -0.33 1.67 0.13 -1.48 -3.17 132.00 136.81 1wyl h PRO 50 Ca -0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1wyl h PRO 50 Cb 1.02 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1wyl h PRO 50 CO 0.48 0.14 0.19 0.78 -0.23 0.00 0.00 178.00 179.36 1wyl h GLY 51 N 1.82 0.49 -2.22 1.56 0.00 -1.92 -3.44 103.07 99.36 1wyl h GLY 51 Ca -0.00 -0.21 -0.55 0.00 0.00 0.00 0.00 47.33 46.57 1wyl h GLY 51 CO 0.02 0.21 -0.27 1.04 0.00 0.00 0.00 176.54 177.53 1wyl n LEU 52 N -4.80 1.43 0.00 3.11 4.77 -1.20 -4.94 117.00 115.37 1wyl n LEU 52 Ca -0.01 0.53 -0.16 0.00 -0.03 0.00 0.00 56.01 56.34 1wyl n LEU 52 Cb 0.07 -1.28 0.15 0.00 -2.33 0.00 0.00 43.42 40.03 1wyl n LEU 52 CO 0.35 -2.90 0.18 0.00 -1.33 0.00 0.00 177.39 173.69 1wyl n LEU 53 N -1.19 0.00 -4.64 2.23 -0.00 -1.26 -5.02 117.00 107.12 1wyl n LEU 53 Ca 0.10 -0.46 -0.23 0.00 -0.00 0.00 0.00 56.01 55.42 1wyl n LEU 53 Cb 0.51 -0.75 -0.08 0.00 -0.00 0.00 0.00 43.42 43.10 1wyl n LEU 53 CO 0.50 -2.44 -0.32 -1.61 -0.00 0.00 0.00 177.39 173.52 1wyl s GLU 54 N -3.59 2.22 0.00 1.47 0.41 -1.26 -4.95 118.70 113.00 1wyl s GLU 54 Ca 0.35 -1.52 0.08 0.00 -0.41 0.00 0.00 54.97 53.48 1wyl s GLU 54 Cb -0.06 -2.09 0.50 0.00 -1.78 0.00 0.00 34.13 30.69 1wyl s GLU 54 CO 0.29 0.29 0.95 -0.35 -0.49 0.00 0.00 175.26 175.95 1wyl n PRO 55 N -0.91 0.49 -0.39 0.39 -0.04 -1.26 -4.07 135.00 129.21 1wyl n PRO 55 Ca -0.05 0.00 0.31 0.00 -0.04 0.00 0.00 63.50 63.72 1wyl n PRO 55 Cb 0.60 -1.27 0.51 0.00 -0.04 0.00 0.00 33.50 33.30 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 -0.77 0.09 -0.07 3.54 7.64 -1.26 0.14 113.62 122.94 1wyl n SER 56 Ca 0.06 0.86 -0.21 0.00 1.01 0.00 0.00 58.87 60.59 1wyl n SER 56 Cb 0.03 -0.43 -0.12 0.00 -1.01 0.00 0.00 64.21 62.68 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 0.07 -1.19 1.43 3.07 -2.03 -3.36 114.58 112.57 1wyl h GLU 57 Ca 0.63 -0.12 0.35 0.00 -0.50 0.00 0.00 59.36 59.71 1wyl h GLU 57 Cb 2.20 0.05 -0.11 0.00 -0.84 0.00 0.00 28.75 30.05 1wyl h GLU 57 CO -0.21 1.06 0.77 -0.07 -1.40 0.00 0.00 179.01 179.16 1wyl h LEU 58 N -0.74 0.32 -0.99 1.33 4.07 0.97 -0.04 115.31 120.23 1wyl h LEU 58 Ca -0.34 0.10 0.25 0.00 0.08 0.00 0.00 57.88 57.97 1wyl h LEU 58 Cb 1.47 0.06 -0.19 0.00 1.08 0.00 0.00 40.66 43.08 1wyl h LEU 58 CO -0.12 -0.05 -0.06 0.00 -1.08 0.00 0.00 178.44 177.13 1wyl n GLN 59 N -4.63 -0.08 0.12 1.13 10.64 -0.44 -0.33 117.38 123.78 1wyl n GLN 59 Ca 0.31 1.50 -0.22 0.00 -1.83 0.00 0.00 57.00 56.76 1wyl n GLN 59 Cb 1.17 -2.34 -0.15 0.00 -0.86 0.00 0.00 30.24 28.05 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 0.51 -2.66 2.61 0.00 -1.26 -3.47 103.07 98.81 1wyl h GLY 60 Ca 0.56 -1.31 -0.55 0.00 0.00 0.00 0.00 47.33 46.03 1wyl h GLY 60 CO -0.96 1.15 -1.36 1.04 0.00 0.00 0.00 176.54 176.41 1wyl n LEU 61 N -3.64 -3.80 -4.94 3.11 4.77 0.55 -4.96 117.00 108.09 1wyl n LEU 61 Ca -0.17 0.26 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 1wyl n LEU 61 Cb 1.08 -0.93 0.19 0.00 -2.33 0.00 0.00 43.42 41.43 1wyl n LEU 61 CO 0.57 -5.11 0.87 -0.83 -1.33 0.00 0.00 177.39 171.56 1wyl s GLY 62 N -1.36 1.79 0.20 -0.72 0.00 -1.26 -4.83 107.32 101.14 1wyl s GLY 62 Ca 0.47 -1.25 -0.10 0.00 0.00 0.00 0.00 44.72 43.84 1wyl s GLY 62 CO 0.76 -0.47 1.77 0.00 0.00 0.00 0.00 173.10 175.16 1wyl h ALA 63 N -1.63 0.78 0.10 3.20 0.00 -1.93 -2.26 119.26 117.52 1wyl h ALA 63 Ca -0.44 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1wyl h ALA 63 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wyl h ALA 63 CO 0.37 -0.12 -0.05 1.25 0.00 0.00 0.00 179.25 180.70 1wyl h LEU 64 N 0.48 -0.11 -1.59 0.00 5.85 -1.90 -3.22 115.31 114.82 1wyl h LEU 64 Ca 0.29 -0.46 0.49 0.00 0.84 0.00 0.00 57.88 59.04 1wyl h LEU 64 Cb 0.29 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.24 1wyl h LEU 64 CO -0.25 0.51 1.04 -0.33 -0.34 0.00 0.00 178.44 179.07 1wyl h GLU 65 N -0.85 0.02 0.10 1.25 4.39 -1.89 -0.92 114.58 116.68 1wyl h GLU 65 Ca -0.01 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1wyl h GLU 65 Cb 0.57 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1wyl h GLU 65 CO 0.02 0.01 -0.05 0.00 -1.16 0.00 0.00 179.01 177.84 1wyl h ALA 66 N 1.42 -0.59 -0.98 3.43 0.00 -1.43 -3.25 119.26 117.86 1wyl h ALA 66 Ca 0.88 -0.03 0.40 0.00 0.00 0.00 0.00 54.91 56.16 1wyl h ALA 66 Cb 3.05 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 20.73 1wyl h ALA 66 CO -0.31 -0.58 0.55 2.41 0.00 0.00 0.00 179.25 181.33 1wyl n THR 67 N -2.57 -0.36 -0.06 0.00 -1.04 -0.41 0.46 114.28 110.30 1wyl n THR 67 Ca -0.02 1.83 -0.08 0.00 -2.04 0.00 0.00 64.05 63.74 1wyl n THR 67 Cb 0.05 -2.98 -0.02 0.00 -1.82 0.00 0.00 70.33 65.56 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 1.78 -0.14 0.41 2.41 0.00 -1.42 -1.98 119.26 120.30 1wyl h ALA 68 Ca 0.79 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.76 1wyl h ALA 68 Cb 2.17 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 20.48 1wyl h ALA 68 CO -0.66 -0.68 -0.36 2.35 0.00 0.00 0.00 179.25 179.90 1wyl h TRP 69 N -0.26 -0.99 -0.89 0.00 7.01 -0.04 -1.91 115.95 118.88 1wyl h TRP 69 Ca 0.14 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.23 1wyl h TRP 69 Cb 0.48 0.38 -0.11 0.00 -2.10 0.00 0.00 29.16 27.80 1wyl h TRP 69 CO -0.41 -0.49 -0.51 0.00 -2.79 0.00 0.00 178.44 174.24 1wyl n ALA 70 N -2.63 -0.53 -0.09 2.65 0.00 -1.11 0.21 120.51 119.02 1wyl n ALA 70 Ca -0.09 0.77 0.18 0.00 0.00 0.00 0.00 53.44 54.30 1wyl n ALA 70 Cb 0.34 -0.15 0.60 0.00 0.00 0.00 0.00 19.45 20.24 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 0.19 0.01 0.00 3.38 -1.25 0.16 115.31 117.80 1wyl h LEU 71 Ca 0.16 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1wyl h LEU 71 Cb 0.38 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1wyl h LEU 71 CO -0.84 0.10 -0.01 0.50 0.09 0.00 0.00 178.44 178.28 1wyl h LYS 72 N 0.20 -0.02 -0.48 1.13 3.64 0.33 -2.20 116.57 119.17 1wyl h LYS 72 Ca 0.32 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.84 1wyl h LYS 72 Cb 0.97 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1wyl h LYS 72 CO -0.06 -0.01 0.61 0.28 -2.27 0.00 0.00 179.45 178.00 1wyl h VAL 73 N -0.05 0.23 0.00 2.00 2.07 -0.50 0.92 116.25 120.92 1wyl h VAL 73 Ca -0.00 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.32 1wyl h VAL 73 Cb 0.01 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1wyl h VAL 73 CO 0.00 0.00 -1.00 0.00 0.02 0.00 0.00 177.57 176.59 1wyl h ALA 74 N 1.23 0.44 0.00 1.67 0.00 -0.76 -0.74 119.26 121.10 1wyl h ALA 74 Ca 0.23 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1wyl h ALA 74 Cb 1.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1wyl h ALA 74 CO -0.00 1.19 -0.84 -1.91 0.00 0.00 0.00 179.25 177.68 1wyl n GLU 75 N -3.30 0.24 -0.12 0.00 0.00 0.28 0.17 120.64 117.92 1wyl n GLU 75 Ca -0.01 0.02 -0.22 0.00 0.00 0.00 0.00 57.16 56.94 1wyl n GLU 75 Cb 0.92 -1.60 -0.08 0.00 0.00 0.00 0.00 31.44 30.68 1wyl n GLU 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wyl n ASN 76 N -1.93 1.94 -0.02 4.31 3.02 0.80 -4.13 115.26 119.26 1wyl n ASN 76 Ca 0.03 0.35 -0.01 0.00 -0.03 0.00 0.00 54.58 54.92 1wyl n ASN 76 Cb 0.42 -0.81 -0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 -0.33 3.52 4.39 -1.34 -3.38 114.58 116.43 1wyl h GLU 77 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1wyl h GLU 77 Cb 1.38 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 1wyl h GLU 77 CO -0.28 0.00 0.21 -0.07 -1.16 0.00 0.00 179.01 177.72 1wyl h LEU 78 N -0.27 0.39 0.00 1.33 3.38 -1.49 -3.46 115.31 115.19 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 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1wyl h LEU 78 CO 0.00 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1wyl n GLY 79 N -1.46 1.34 3.56 0.83 0.00 0.45 -4.94 105.19 104.96 1wyl n GLY 79 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.08 3.24 0.27 -0.61 -1.09 0.38 -4.74 121.20 115.57 1wyl s ILE 80 Ca 0.00 -0.12 -0.29 0.00 -2.23 0.00 0.00 60.65 58.01 1wyl s ILE 80 Cb 0.00 -3.56 -0.14 0.00 -1.58 0.00 0.00 42.46 37.18 1wyl s ILE 80 CO 0.00 -0.53 1.09 0.41 -1.23 0.00 0.00 174.94 174.68 1wyl n THR 81 N 8.08 1.76 -2.04 2.92 -1.04 -1.26 -3.75 114.28 118.94 1wyl n THR 81 Ca 0.39 -0.44 -0.32 0.00 -2.04 0.00 0.00 64.05 61.64 1wyl n THR 81 Cb 0.48 -1.07 -0.04 0.00 -1.82 0.00 0.00 70.33 67.88 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 -1.33 2.58 0.35 -2.82 0.04 -1.26 -4.80 135.00 127.76 1wyl s PRO 82 Ca 0.61 0.09 0.13 0.00 0.04 0.00 0.00 61.00 61.87 1wyl s PRO 82 Cb -0.71 -4.78 0.63 0.00 0.04 0.00 0.00 34.50 29.68 1wyl s PRO 82 CO 0.58 -3.11 1.76 -0.24 0.04 0.00 0.00 177.00 176.03 1wyl h VAL 83 N 7.10 1.25 -3.65 -0.36 3.04 -1.94 -3.44 116.25 118.25 1wyl h VAL 83 Ca -0.05 -1.55 -0.67 0.00 -1.01 0.00 0.00 66.70 63.41 1wyl h VAL 83 Cb 1.07 1.85 -0.19 0.00 -2.01 0.00 0.00 31.29 32.01 1wyl h VAL 83 CO 1.21 0.43 -0.82 -0.69 -1.01 0.00 0.00 177.57 176.70 1wyl s VAL 84 N -3.94 2.65 0.01 1.51 1.01 -1.26 -5.03 120.40 115.34 1wyl s VAL 84 Ca -0.02 -1.65 -0.30 0.00 0.00 0.00 0.00 61.98 60.01 1wyl s VAL 84 Cb 0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1wyl s VAL 84 CO 0.73 0.05 1.08 -0.44 0.00 0.00 0.00 175.10 176.52 1wyl s SER 85 N -2.24 7.23 0.28 3.32 0.01 -1.26 -4.91 113.70 116.13 1wyl s SER 85 Ca 0.18 1.79 0.00 0.00 1.31 0.00 0.00 55.95 59.23 1wyl s SER 85 Cb -0.10 -2.57 0.66 0.00 0.21 0.00 0.00 66.02 64.22 1wyl s SER 85 CO 0.09 -0.38 1.44 0.00 0.41 0.00 0.00 173.24 174.80 1wyl n ALA 86 N 4.11 0.43 -0.10 1.44 0.00 -1.26 0.10 120.51 125.24 1wyl n ALA 86 Ca 0.08 0.99 -0.09 0.00 0.00 0.00 0.00 53.44 54.41 1wyl n ALA 86 Cb 0.49 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 1wyl n ALA 86 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wyl h GLN 87 N 0.00 0.46 -0.56 0.00 4.15 -1.96 -2.27 115.11 114.92 1wyl h GLN 87 Ca 0.54 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.99 1wyl h GLN 87 Cb 1.08 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.61 1wyl h GLN 87 CO -0.88 0.37 0.23 0.00 -1.93 0.00 0.00 178.83 176.62 1wyl h ALA 88 N 1.07 0.72 -0.31 3.38 0.00 0.32 1.04 119.26 125.48 1wyl h ALA 88 Ca 0.12 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1wyl h ALA 88 Cb 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wyl h ALA 88 CO -0.02 -0.16 0.19 0.28 0.00 0.00 0.00 179.25 179.54 1wyl h VAL 89 N 0.43 1.04 0.05 0.00 2.07 -0.99 -0.79 116.25 118.06 1wyl h VAL 89 Ca 0.27 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 1wyl h VAL 89 Cb 0.28 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1wyl h VAL 89 CO -0.25 0.07 -0.02 0.58 0.02 0.00 0.00 177.57 177.97 1wyl h VAL 90 N 0.38 0.00 -1.06 2.57 2.07 -0.82 -3.33 116.25 116.06 1wyl h VAL 90 Ca 0.12 -0.19 0.43 0.00 0.82 0.00 0.00 66.70 67.88 1wyl h VAL 90 Cb -0.01 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.59 1wyl h VAL 90 CO -0.05 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.14 1wyl n ALA 91 N -2.18 1.08 -1.43 1.67 0.00 0.35 -4.74 120.51 115.27 1wyl n ALA 91 Ca -0.01 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1wyl n ALA 91 Cb 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.31 0.46 0.16 0.00 0.00 -0.33 -5.03 105.19 99.15 1wyl n GLY 92 Ca 0.38 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.72 2.06 -4.03 1.61 2.88 -1.06 -4.82 113.62 109.55 1wyl n SER 93 Ca 0.00 0.02 -0.34 0.00 -1.33 0.00 0.00 58.87 57.22 1wyl n SER 93 Cb 0.36 -0.47 -0.11 0.00 -0.75 0.00 0.00 64.21 63.23 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 -6.52 4.87 0.12 -3.46 1.01 -1.26 -4.93 116.67 106.51 1wyl s ASP 94 Ca -0.32 -2.99 -0.13 0.00 0.71 0.00 0.00 52.55 49.83 1wyl s ASP 94 Cb 0.10 -1.76 -0.06 0.00 1.01 0.00 0.00 42.92 42.20 1wyl s ASP 94 CO 0.49 -0.30 1.45 1.55 0.21 0.00 0.00 175.17 178.58 1wyl h PRO 95 N 6.72 0.83 -0.70 8.23 0.13 -1.88 -3.19 132.00 142.13 1wyl h PRO 95 Ca -0.03 -0.43 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1wyl h PRO 95 Cb 0.92 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.01 1wyl h PRO 95 CO 0.71 1.07 0.43 -0.07 -0.23 0.00 0.00 178.00 179.91 1wyl h LEU 96 N 0.62 0.69 -0.24 1.56 4.07 -1.96 -2.75 115.31 117.30 1wyl h LEU 96 Ca 0.06 0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.08 1wyl h LEU 96 Cb 0.91 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 42.45 1wyl h LEU 96 CO 0.08 0.47 -0.13 1.23 -1.08 0.00 0.00 178.44 179.01 1wyl h GLY 97 N 0.83 0.06 -0.02 0.83 0.00 -1.97 -2.31 103.07 100.49 1wyl h GLY 97 Ca 0.29 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.88 1wyl h GLY 97 CO -0.13 -0.15 -0.19 -2.00 0.00 0.00 0.00 176.54 174.07 1wyl h LEU 98 N -0.11 -0.66 -0.21 3.11 5.85 -1.52 0.86 115.31 122.63 1wyl h LEU 98 Ca 0.13 0.16 0.06 0.00 0.84 0.00 0.00 57.88 59.07 1wyl h LEU 98 Cb 0.31 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 1wyl h LEU 98 CO -0.31 -0.22 -0.24 0.40 -0.34 0.00 0.00 178.44 177.73 1wyl h ILE 99 N -0.10 0.41 -0.55 4.05 2.04 -1.33 -0.46 117.51 121.56 1wyl h ILE 99 Ca 0.21 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.09 1wyl h ILE 99 Cb 0.43 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1wyl h ILE 99 CO -0.50 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.01 1wyl h ALA 100 N 0.77 1.67 0.64 1.87 0.00 -0.81 -2.23 119.26 121.16 1wyl h ALA 100 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1wyl h ALA 100 Cb 0.45 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1wyl h ALA 100 CO -0.36 0.29 -0.31 -0.92 0.00 0.00 0.00 179.25 177.95 1wyl h TYR 101 N 0.69 -0.80 -0.98 0.00 3.20 0.69 -2.97 116.97 116.79 1wyl h TYR 101 Ca 0.21 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.19 1wyl h TYR 101 Cb -0.00 0.26 -0.09 0.00 1.54 0.00 0.00 36.73 38.45 1wyl h TYR 101 CO -0.00 -0.47 0.61 -0.07 -1.64 0.00 0.00 178.16 176.59 1wyl h LEU 102 N -0.95 0.88 -1.46 2.82 3.38 -1.02 -0.68 115.31 118.29 1wyl h LEU 102 Ca -0.09 0.06 0.36 0.00 0.09 0.00 0.00 57.88 58.29 1wyl h LEU 102 Cb 0.69 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 1wyl h LEU 102 CO 0.14 0.45 0.78 -1.28 0.09 0.00 0.00 178.44 178.63 1wyl h SER 103 N 0.94 0.30 -0.21 -0.43 0.87 -1.24 0.35 113.55 114.13 1wyl h SER 103 Ca 0.50 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 61.14 1wyl h SER 103 Cb 0.53 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1wyl h SER 103 CO -0.28 -0.04 0.07 0.45 -0.53 0.00 0.00 176.83 176.50 1wyl h HIS 104 N 0.21 0.33 -0.16 2.24 3.86 -1.14 0.45 115.15 120.94 1wyl h HIS 104 Ca 0.70 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.88 1wyl h HIS 104 Cb 2.10 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 30.47 1wyl h HIS 104 CO -0.00 0.39 0.09 0.74 0.86 0.00 0.00 177.93 180.01 1wyl h PHE 105 N 0.17 0.17 0.35 2.45 -1.00 -0.42 -2.44 116.94 116.21 1wyl h PHE 105 Ca 0.07 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 1wyl h PHE 105 Cb 0.22 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1wyl h PHE 105 CO -0.00 0.10 -0.17 1.25 -1.61 0.00 0.00 178.31 177.88 1wyl h HIS 106 N 0.19 -0.43 -1.11 -0.55 2.76 -1.30 0.35 115.15 115.06 1wyl h HIS 106 Ca 0.06 -0.01 0.39 0.00 -2.20 0.00 0.00 60.37 58.61 1wyl h HIS 106 Cb -0.00 0.14 -0.12 0.00 1.55 0.00 0.00 27.41 28.98 1wyl h HIS 106 CO -0.08 -0.27 0.70 -1.13 -1.30 0.00 0.00 177.93 175.85 1wyl n SER 107 N -4.09 0.18 -0.06 3.26 3.41 0.16 0.15 113.62 116.62 1wyl n SER 107 Ca -0.06 1.15 -0.21 0.00 -0.26 0.00 0.00 58.87 59.50 1wyl n SER 107 Cb 0.18 -0.57 -0.12 0.00 -0.26 0.00 0.00 64.21 63.44 1wyl n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wyl h ALA 108 N 1.33 0.24 -0.83 7.33 0.00 -1.42 -3.37 119.26 122.54 1wyl h ALA 108 Ca 0.72 -1.14 -0.57 0.00 0.00 0.00 0.00 54.91 53.93 1wyl h ALA 108 Cb 2.29 0.60 -0.24 0.00 0.00 0.00 0.00 17.79 20.44 1wyl h ALA 108 CO -0.40 0.74 0.73 1.19 0.00 0.00 0.00 179.25 181.50 1wyl n PHE 109 N -4.22 2.70 -2.21 0.00 3.72 0.19 -4.97 117.46 112.68 1wyl n PHE 109 Ca -0.28 -2.70 -0.42 0.00 -0.05 0.00 0.00 57.45 54.00 1wyl n PHE 109 Cb 0.75 -1.30 -0.03 0.00 -0.94 0.00 0.00 39.48 37.97 1wyl n PHE 109 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1wyl s LYS 110 N -3.19 4.24 0.36 -1.08 1.02 0.39 -4.78 119.74 116.70 1wyl s LYS 110 Ca 0.54 1.96 -0.06 0.00 0.02 0.00 0.00 55.97 58.43 1wyl s LYS 110 Cb 0.42 -3.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1wyl s LYS 110 CO -0.01 -0.69 0.58 -1.13 -0.92 0.00 0.00 175.35 173.17 1wyl n SER 111 N 6.24 -1.64 0.00 2.83 3.41 -1.26 -5.07 113.62 118.13 1wyl n SER 111 Ca 0.15 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 1wyl n SER 111 Cb 0.44 2.91 0.00 0.00 -0.26 0.00 0.00 64.21 67.30 1wyl n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyl n GLY 112 N -0.55 -0.07 0.19 5.00 0.00 -1.26 -4.73 105.19 103.77 1wyl n GLY 112 Ca -0.02 -2.27 0.05 0.00 0.00 0.00 0.00 46.02 43.77 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 7.57 0.00 -5.23 1.61 0.13 -2.06 -3.47 132.00 130.55 1wyl h PRO 113 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 1wyl h PRO 113 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 1wyl h PRO 113 CO 0.00 0.37 -0.61 0.43 -0.23 0.00 0.00 178.00 177.96 1wyl n SER 114 N -3.75 -5.00 -4.25 1.44 7.64 -1.26 -5.02 113.62 103.43 1wyl n SER 114 Ca -0.01 -0.49 -0.22 0.00 1.01 0.00 0.00 58.87 59.16 1wyl n SER 114 Cb 0.46 -4.49 -0.12 0.00 -1.01 0.00 0.00 64.21 59.05 1wyl n SER 114 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wyl s SER 115 N -3.48 2.23 0.00 6.43 1.04 -1.26 -5.26 113.70 113.40 1wyl s SER 115 Ca 0.40 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1wyl s SER 115 Cb -0.18 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1wyl s SER 115 CO 0.64 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.47