#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfd h SER 2 N 0.00 0.00 0.00 1.61 0.87 -2.04 -3.49 113.55 110.50 1wfd h SER 2 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1wfd h SER 2 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1wfd h SER 2 CO 0.00 0.77 0.00 -1.54 -0.53 0.00 0.00 176.83 175.53 1wfd n SER 3 N -4.65 -2.78 0.00 6.23 3.41 -1.26 -5.16 113.62 109.41 1wfd n SER 3 Ca -0.08 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1wfd n SER 3 Cb 0.24 2.73 0.00 0.00 -0.26 0.00 0.00 64.21 66.92 1wfd n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfd n GLY 4 N -1.38 3.52 3.56 5.00 0.00 -1.26 -5.06 105.19 109.56 1wfd n GLY 4 Ca 0.00 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1wfd n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfd n SER 5 N 0.00 -5.39 -4.45 1.61 7.64 -1.26 -4.98 113.62 106.79 1wfd n SER 5 Ca 0.00 -0.32 -0.24 0.00 1.01 0.00 0.00 58.87 59.32 1wfd n SER 5 Cb 0.00 -1.70 -0.10 0.00 -1.01 0.00 0.00 64.21 61.40 1wfd n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfd s SER 6 N -1.80 2.83 -0.64 6.43 0.15 -1.26 -5.05 113.70 114.37 1wfd s SER 6 Ca 0.31 -1.45 -0.27 0.00 0.70 0.00 0.00 55.95 55.24 1wfd s SER 6 Cb -0.03 0.02 -0.12 0.00 -1.71 0.00 0.00 66.02 64.18 1wfd s SER 6 CO 0.88 -0.66 2.47 0.61 1.20 0.00 0.00 173.24 177.74 1wfd n GLY 7 N -0.82 -0.01 3.49 9.45 0.00 -1.26 -4.80 105.19 111.23 1wfd n GLY 7 Ca -0.05 0.72 -0.52 0.00 0.00 0.00 0.00 46.02 46.17 1wfd n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfd n GLN 8 N 8.79 1.12 -2.70 1.61 10.64 -1.26 -4.75 117.38 130.82 1wfd n GLN 8 Ca 0.45 0.33 -0.07 0.00 -1.83 0.00 0.00 57.00 55.88 1wfd n GLN 8 Cb 0.42 -2.39 0.09 0.00 -0.86 0.00 0.00 30.24 27.50 1wfd n GLN 8 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1wfd n ASP 9 N 8.96 -1.92 -3.63 2.61 8.00 -1.26 -5.01 116.55 124.30 1wfd n ASP 9 Ca 0.39 -2.81 -0.13 0.00 0.71 0.00 0.00 54.79 52.94 1wfd n ASP 9 Cb 0.21 1.41 0.02 0.00 -0.02 0.00 0.00 41.12 42.74 1wfd n ASP 9 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1wfd n SER 10 N -0.06 1.67 0.02 -2.24 2.88 -1.26 -5.02 113.62 109.61 1wfd n SER 10 Ca -0.02 -1.99 -0.02 0.00 -1.33 0.00 0.00 58.87 55.51 1wfd n SER 10 Cb 0.75 -0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 64.10 1wfd n SER 10 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1wfd h ASP 11 N 0.25 -0.09 -0.04 -3.46 3.58 -2.01 -3.25 116.42 111.40 1wfd h ASP 11 Ca -0.18 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.19 1wfd h ASP 11 Cb 0.72 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 1wfd h ASP 11 CO 0.27 0.20 -0.23 0.28 -2.88 0.00 0.00 179.24 176.88 1wfd h SER 12 N -0.63 0.43 -0.45 2.28 0.02 -1.98 -3.16 113.55 110.06 1wfd h SER 12 Ca -0.01 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 60.85 1wfd h SER 12 Cb 0.08 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 62.42 1wfd h SER 12 CO 0.02 0.67 -0.56 0.74 -1.14 0.00 0.00 176.83 176.56 1wfd h THR 13 N 0.39 0.00 -1.07 -2.27 2.02 -1.97 0.57 112.91 110.57 1wfd h THR 13 Ca 0.06 0.00 0.42 0.00 0.77 0.00 0.00 66.41 67.67 1wfd h THR 13 Cb 0.62 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.86 1wfd h THR 13 CO 0.04 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.54 1wfd h ALA 14 N -0.01 2.28 0.22 6.16 0.00 -1.57 1.21 119.26 127.54 1wfd h ALA 14 Ca 0.08 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1wfd h ALA 14 Cb 0.58 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1wfd h ALA 14 CO -0.62 -1.04 -0.10 0.00 0.00 0.00 0.00 179.25 177.48 1wfd h ALA 15 N 1.91 -0.29 -0.98 0.00 0.00 -0.04 0.65 119.26 120.51 1wfd h ALA 15 Ca 0.85 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.81 1wfd h ALA 15 Cb 2.32 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 20.11 1wfd h ALA 15 CO -0.70 -0.52 0.57 0.28 0.00 0.00 0.00 179.25 178.89 1wfd h VAL 16 N -0.58 0.60 0.37 0.00 2.07 0.27 1.44 116.25 120.42 1wfd h VAL 16 Ca -0.03 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1wfd h VAL 16 Cb 0.43 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1wfd h VAL 16 CO 0.05 0.12 -0.18 0.00 0.02 0.00 0.00 177.57 177.58 1wfd h ALA 17 N 1.69 -0.50 -1.08 1.67 0.00 -0.55 0.73 119.26 121.22 1wfd h ALA 17 Ca 0.60 -0.11 0.30 0.00 0.00 0.00 0.00 54.91 55.71 1wfd h ALA 17 Cb 1.06 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1wfd h ALA 17 CO -0.44 -0.46 0.75 -0.24 0.00 0.00 0.00 179.25 178.85 1wfd h VAL 18 N -1.12 0.48 0.02 0.00 3.04 0.11 0.98 116.25 119.76 1wfd h VAL 18 Ca -0.05 -0.04 -0.26 0.00 -1.01 0.00 0.00 66.70 65.33 1wfd h VAL 18 Cb 0.38 0.34 0.02 0.00 -2.01 0.00 0.00 31.29 30.02 1wfd h VAL 18 CO 0.08 0.02 -1.04 -0.07 -1.01 0.00 0.00 177.57 175.56 1wfd h LEU 19 N 0.13 0.88 -0.30 3.16 3.38 0.20 -1.50 115.31 121.26 1wfd h LEU 19 Ca 0.54 -0.76 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1wfd h LEU 19 Cb 1.90 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 1wfd h LEU 19 CO -0.10 1.52 0.11 0.50 0.09 0.00 0.00 178.44 180.57 1wfd h LYS 20 N 0.33 0.46 0.24 1.13 1.63 0.32 -2.10 116.57 118.57 1wfd h LYS 20 Ca -0.14 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 1wfd h LYS 20 Cb 1.70 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.26 1wfd h LYS 20 CO 0.20 0.48 -0.11 0.00 -3.45 0.00 0.00 179.45 176.57 1wfd h ARG 21 N 0.34 -0.31 -0.57 1.90 2.47 0.02 -2.82 114.38 115.41 1wfd h ARG 21 Ca 0.10 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.91 1wfd h ARG 21 Cb 0.20 0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 28.50 1wfd h ARG 21 CO -0.01 -0.14 -0.52 0.00 0.56 0.00 0.00 179.97 179.87 1wfd h ALA 22 N 0.33 -0.58 -0.87 0.04 0.00 -1.17 0.17 119.26 117.18 1wfd h ALA 22 Ca -0.03 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1wfd h ALA 22 Cb 0.31 1.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.07 1wfd h ALA 22 CO 0.05 -0.96 -0.39 0.28 0.00 0.00 0.00 179.25 178.23 1wfd h VAL 23 N -0.27 0.05 0.04 0.00 2.07 -1.28 0.47 116.25 117.32 1wfd h VAL 23 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 1wfd h VAL 23 Cb 0.56 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1wfd h VAL 23 CO -0.69 0.00 -0.40 -0.33 0.02 0.00 0.00 177.57 176.16 1wfd h GLU 24 N -0.06 -0.52 -0.82 1.57 4.39 -0.48 0.93 114.58 119.59 1wfd h GLU 24 Ca 0.30 0.04 0.20 0.00 0.34 0.00 0.00 59.36 60.24 1wfd h GLU 24 Cb 0.57 0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 29.21 1wfd h GLU 24 CO -0.89 -0.35 0.18 -0.07 -1.16 0.00 0.00 179.01 176.72 1wfd h LEU 25 N -0.54 -0.07 -1.32 1.33 3.38 0.63 1.45 115.31 120.18 1wfd h LEU 25 Ca 0.00 0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.25 1wfd h LEU 25 Cb 0.56 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1wfd h LEU 25 CO -0.25 -0.13 0.53 -0.78 0.09 0.00 0.00 178.44 177.90 1wfd h ASP 26 N 0.21 0.69 1.15 -0.43 3.58 0.12 0.42 116.42 122.16 1wfd h ASP 26 Ca 0.49 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.85 1wfd h ASP 26 Cb 0.93 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 1wfd h ASP 26 CO -0.62 0.41 -0.51 0.00 -2.88 0.00 0.00 179.24 175.64 1wfd h ALA 27 N 1.59 0.77 -0.00 -0.78 0.00 0.41 -2.75 119.26 118.50 1wfd h ALA 27 Ca 0.37 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wfd h ALA 27 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1wfd h ALA 27 CO -0.14 0.64 -0.02 0.39 0.00 0.00 0.00 179.25 180.11 1wfd n GLU 28 N -3.37 1.05 -0.99 0.00 -0.58 0.14 -4.86 120.64 112.03 1wfd n GLU 28 Ca 0.01 -0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.47 1wfd n GLU 28 Cb 0.66 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 1wfd n GLU 28 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1wfd n SER 29 N -0.73 -2.24 -2.95 1.62 3.41 0.06 -4.91 113.62 107.88 1wfd n SER 29 Ca 0.20 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.48 1wfd n SER 29 Cb 0.21 -0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 63.55 1wfd n SER 29 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wfd n ARG 30 N -2.47 3.43 -0.16 4.33 1.74 0.82 -4.66 116.66 119.69 1wfd n ARG 30 Ca 0.00 -2.80 0.21 0.00 -0.77 0.00 0.00 57.85 54.48 1wfd n ARG 30 Cb 0.03 -2.38 0.60 0.00 -1.02 0.00 0.00 32.46 29.69 1wfd n ARG 30 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1wfd h TYR 31 N 3.78 0.29 0.00 -1.55 0.05 -1.86 0.79 116.97 118.47 1wfd h TYR 31 Ca 0.54 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.33 1wfd h TYR 31 Cb 0.55 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.20 1wfd h TYR 31 CO 1.55 0.09 0.00 0.37 -1.05 0.00 0.00 178.16 179.12 1wfd h GLN 32 N 0.23 0.00 0.00 4.88 -0.00 -1.94 0.36 115.11 118.63 1wfd h GLN 32 Ca 0.39 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.82 1wfd h GLN 32 Cb 1.18 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.62 1wfd h GLN 32 CO -0.09 0.00 -1.84 1.04 0.00 0.00 0.00 178.83 177.95 1wfd n GLN 33 N -2.68 0.97 0.27 1.69 6.02 0.25 -4.36 117.38 119.54 1wfd n GLN 33 Ca -0.02 0.05 0.17 0.00 -0.01 0.00 0.00 57.00 57.19 1wfd n GLN 33 Cb 0.09 -1.30 0.70 0.00 1.02 0.00 0.00 30.24 30.75 1wfd n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wfd h ALA 34 N 0.20 1.02 0.22 -1.58 0.00 -0.26 -2.30 119.26 116.56 1wfd h ALA 34 Ca -0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1wfd h ALA 34 Cb 1.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1wfd h ALA 34 CO -0.03 0.04 -0.11 1.25 0.00 0.00 0.00 179.25 180.41 1wfd h LEU 35 N 0.00 -0.25 -0.56 0.00 7.12 -0.51 -0.19 115.31 120.91 1wfd h LEU 35 Ca -0.00 0.01 0.11 0.00 0.13 0.00 0.00 57.88 58.13 1wfd h LEU 35 Cb 0.50 0.07 -0.10 0.00 -0.53 0.00 0.00 40.66 40.59 1wfd h LEU 35 CO 0.00 -0.09 -0.12 -0.37 -0.13 0.00 0.00 178.44 177.74 1wfd h VAL 36 N -0.49 0.45 0.15 1.05 -1.51 -1.75 0.28 116.25 114.43 1wfd h VAL 36 Ca -0.03 -0.01 0.01 0.00 -1.23 0.00 0.00 66.70 65.44 1wfd h VAL 36 Cb 0.23 0.44 -0.05 0.00 -2.13 0.00 0.00 31.29 29.78 1wfd h VAL 36 CO 0.05 0.00 -0.52 0.00 -1.23 0.00 0.00 177.57 175.87 1wfd h TYR 38 N -0.77 0.87 -0.21 0.00 0.05 0.43 0.20 116.97 117.54 1wfd h TYR 38 Ca -0.01 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.65 1wfd h TYR 38 Cb 0.77 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.25 1wfd h TYR 38 CO -0.44 0.12 -0.46 1.96 -1.05 0.00 0.00 178.16 178.28 1wfd h GLN 39 N 0.55 0.68 -0.86 4.88 1.08 0.15 -1.05 115.11 120.55 1wfd h GLN 39 Ca 0.60 -0.46 0.09 0.00 -1.45 0.00 0.00 58.65 57.43 1wfd h GLN 39 Cb 1.23 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 28.65 1wfd h GLN 39 CO -0.37 1.08 0.50 0.93 -0.95 0.00 0.00 178.83 180.02 1wfd h GLU 40 N 0.38 0.83 -0.01 1.46 4.39 0.46 0.88 114.58 122.96 1wfd h GLU 40 Ca 0.00 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1wfd h GLU 40 Cb 1.07 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1wfd h GLU 40 CO 0.10 0.55 -0.03 0.78 -1.16 0.00 0.00 179.01 179.25 1wfd h GLY 41 N 0.85 0.05 -0.02 -3.84 0.00 -1.07 -2.72 103.07 96.32 1wfd h GLY 41 Ca 0.41 -0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.77 1wfd h GLY 41 CO -0.24 0.05 -0.21 -2.22 0.00 0.00 0.00 176.54 173.93 1wfd h ILE 42 N -0.55 0.39 -0.58 2.60 2.04 -0.74 0.83 117.51 121.50 1wfd h ILE 42 Ca -0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1wfd h ILE 42 Cb 0.64 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 1wfd h ILE 42 CO 0.01 0.00 0.16 -0.78 0.00 0.00 0.00 178.15 177.53 1wfd h ASP 43 N -0.13 0.08 0.11 1.72 3.58 -0.89 0.80 116.42 121.69 1wfd h ASP 43 Ca 0.20 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 1wfd h ASP 43 Cb 0.44 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1wfd h ASP 43 CO -0.49 0.06 -0.05 0.24 -2.88 0.00 0.00 179.24 176.11 1wfd h MET 44 N 0.30 -0.14 -0.02 0.28 2.86 -0.47 -2.76 114.93 114.97 1wfd h MET 44 Ca 0.30 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.97 1wfd h MET 44 Cb 0.41 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1wfd h MET 44 CO -0.35 0.01 -0.10 -0.07 1.06 0.00 0.00 176.91 177.46 1wfd h LEU 45 N -0.27 -0.30 -0.92 1.22 3.38 0.13 -1.28 115.31 117.27 1wfd h LEU 45 Ca -0.01 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1wfd h LEU 45 Cb 0.22 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.99 1wfd h LEU 45 CO 0.02 -0.15 -0.54 0.18 0.09 0.00 0.00 178.44 178.04 1wfd n LEU 46 N -5.23 -0.97 -0.22 1.67 4.77 0.27 0.20 117.00 117.48 1wfd n LEU 46 Ca -0.05 1.68 0.08 0.00 -0.03 0.00 0.00 56.01 57.69 1wfd n LEU 46 Cb 0.16 -0.23 0.35 0.00 -2.33 0.00 0.00 43.42 41.37 1wfd n LEU 46 CO 0.27 -1.35 1.22 1.56 -1.33 0.00 0.00 177.39 177.76 1wfd h GLN 47 N 0.00 0.73 0.14 3.23 4.20 -1.19 0.43 115.11 122.65 1wfd h GLN 47 Ca 0.15 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1wfd h GLN 47 Cb 0.38 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1wfd h GLN 47 CO -0.86 0.49 -0.07 0.28 -0.67 0.00 0.00 178.83 178.00 1wfd h VAL 48 N 0.76 1.00 0.22 -0.54 2.07 0.34 -2.91 116.25 117.18 1wfd h VAL 48 Ca 0.36 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1wfd h VAL 48 Cb 0.40 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1wfd h VAL 48 CO -0.14 0.14 -0.18 0.25 0.02 0.00 0.00 177.57 177.66 1wfd h LEU 49 N -0.46 -0.47 -1.96 2.57 7.12 0.31 -0.53 115.31 121.89 1wfd h LEU 49 Ca -0.02 0.04 0.52 0.00 0.13 0.00 0.00 57.88 58.55 1wfd h LEU 49 Cb 0.37 0.16 -0.07 0.00 -0.53 0.00 0.00 40.66 40.58 1wfd h LEU 49 CO 0.03 -0.28 1.32 0.11 -0.13 0.00 0.00 178.44 179.49 1wfd h LYS 50 N -0.41 0.00 -2.15 1.25 1.79 -0.15 0.01 116.57 116.91 1wfd h LYS 50 Ca -0.01 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.87 1wfd h LYS 50 Cb 0.37 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.61 1wfd h LYS 50 CO -0.02 0.00 -0.71 0.41 -1.08 0.00 0.00 179.45 178.05 1wfd n GLY 51 N -1.89 4.40 0.89 3.86 0.00 -0.22 -4.79 105.19 107.44 1wfd n GLY 51 Ca 0.40 -2.50 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1wfd n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wfd n THR 52 N 0.94 0.00 0.00 2.61 -1.04 -0.01 -4.87 114.28 111.92 1wfd n THR 52 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1wfd n THR 52 Cb 0.44 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 1wfd n THR 52 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1wfd n LYS 53 N -2.88 0.00 -1.51 -2.82 4.76 -1.26 -4.85 118.16 109.60 1wfd n LYS 53 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1wfd n LYS 53 Cb 0.47 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.50 1wfd n LYS 53 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wfd n GLU 54 N 0.00 0.19 -0.33 1.97 4.71 -1.26 -4.69 120.64 121.23 1wfd n GLU 54 Ca 0.00 -0.11 0.26 0.00 -0.01 0.00 0.00 57.16 57.30 1wfd n GLU 54 Cb 0.00 -1.80 0.50 0.00 -1.01 0.00 0.00 31.44 29.13 1wfd n GLU 54 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1wfd h SER 55 N 12.53 0.23 0.27 1.62 0.87 -1.99 0.69 113.55 127.78 1wfd h SER 55 Ca -0.03 0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1wfd h SER 55 Cb 1.19 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 1wfd h SER 55 CO 1.41 -0.33 -0.13 0.28 -0.53 0.00 0.00 176.83 177.53 1wfd h SER 56 N 0.10 -0.31 -0.77 6.23 0.02 -1.99 -2.16 113.55 114.66 1wfd h SER 56 Ca 0.77 0.01 0.15 0.00 -0.84 0.00 0.00 61.79 61.88 1wfd h SER 56 Cb 1.89 0.08 -0.15 0.00 0.14 0.00 0.00 62.40 64.36 1wfd h SER 56 CO -0.74 -0.16 -0.22 0.11 -1.14 0.00 0.00 176.83 174.67 1wfd h LYS 57 N -0.48 -0.02 -0.74 3.45 1.57 -1.44 0.64 116.57 119.55 1wfd h LYS 57 Ca -0.04 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.91 1wfd h LYS 57 Cb 0.28 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.48 1wfd h LYS 57 CO 0.06 -0.01 0.14 0.00 -0.57 0.00 0.00 179.45 179.07 1wfd h ARG 58 N -0.02 0.22 -0.21 3.15 3.08 0.27 1.43 114.38 122.31 1wfd h ARG 58 Ca 0.36 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.44 1wfd h ARG 58 Cb 0.57 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1wfd h ARG 58 CO -0.80 0.15 -0.05 0.00 -1.07 0.00 0.00 179.97 178.20 1wfd h VAL 60 N 0.00 1.15 0.34 0.00 2.07 0.38 -0.50 116.25 119.70 1wfd h VAL 60 Ca 0.10 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1wfd h VAL 60 Cb 0.15 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1wfd h VAL 60 CO -0.21 0.15 -0.33 -0.07 0.02 0.00 0.00 177.57 177.13 1wfd h LEU 61 N 0.14 -0.90 -1.95 2.57 3.38 0.25 0.25 115.31 119.05 1wfd h LEU 61 Ca 0.06 0.07 0.32 0.00 0.09 0.00 0.00 57.88 58.42 1wfd h LEU 61 Cb 0.16 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1wfd h LEU 61 CO -0.01 -0.44 0.79 0.03 0.09 0.00 0.00 178.44 178.91 1wfd h ARG 62 N -0.67 0.03 -0.01 1.13 3.08 0.11 1.47 114.38 119.52 1wfd h ARG 62 Ca -0.04 -0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 1wfd h ARG 62 Cb 0.57 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1wfd h ARG 62 CO -0.03 0.02 -0.74 1.15 -1.07 0.00 0.00 179.97 179.30 1wfd h THR 63 N 0.03 1.49 0.03 2.04 2.02 0.32 -2.28 112.91 116.56 1wfd h THR 63 Ca 0.54 -2.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.28 1wfd h THR 63 Cb 2.09 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 70.82 1wfd h THR 63 CO -0.03 0.70 -0.01 0.11 0.37 0.00 0.00 175.52 176.66 1wfd h LYS 64 N 0.05 -0.04 0.01 6.66 1.57 0.52 -2.15 116.57 123.19 1wfd h LYS 64 Ca -0.02 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1wfd h LYS 64 Cb 1.31 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1wfd h LYS 64 CO 0.10 0.56 -0.21 0.82 -0.57 0.00 0.00 179.45 180.15 1wfd h ILE 65 N -0.96 0.00 -0.62 1.86 2.04 -0.50 0.52 117.51 119.85 1wfd h ILE 65 Ca -0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 1wfd h ILE 65 Cb 0.62 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.59 1wfd h ILE 65 CO 0.01 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.93 1wfd h SER 66 N -0.27 -0.27 -0.85 1.72 4.64 -1.57 0.53 113.55 117.48 1wfd h SER 66 Ca 0.00 0.15 0.14 0.00 -0.47 0.00 0.00 61.79 61.61 1wfd h SER 66 Cb 0.29 0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.58 1wfd h SER 66 CO -0.14 -0.11 0.55 1.23 -0.87 0.00 0.00 176.83 177.49 1wfd h GLY 67 N 0.12 1.08 1.50 -0.77 0.00 -0.65 0.41 103.07 104.76 1wfd h GLY 67 Ca 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1wfd h GLY 67 CO -0.53 0.10 -0.35 -1.72 0.00 0.00 0.00 176.54 174.04 1wfd n TYR 68 N -4.54 0.60 0.03 5.60 4.01 0.17 -3.70 117.16 119.34 1wfd n TYR 68 Ca 0.16 0.17 -0.21 0.00 -0.16 0.00 0.00 57.90 57.87 1wfd n TYR 68 Cb 0.46 -0.71 -0.14 0.00 -0.31 0.00 0.00 39.34 38.64 1wfd n TYR 68 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 1wfd h MET 69 N 0.00 0.28 0.13 -0.72 2.86 0.40 -3.00 114.93 114.88 1wfd h MET 69 Ca 0.00 -0.47 0.02 0.00 -2.06 0.00 0.00 59.70 57.18 1wfd h MET 69 Cb 0.70 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.50 1wfd h MET 69 CO 0.00 1.23 -0.29 0.22 1.06 0.00 0.00 176.91 179.12 1wfd h ASP 70 N -0.36 -0.84 -0.14 1.22 3.58 -0.98 0.29 116.42 119.19 1wfd h ASP 70 Ca -0.20 0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.39 1wfd h ASP 70 Cb 1.68 0.32 -0.05 0.00 1.72 0.00 0.00 39.33 43.00 1wfd h ASP 70 CO 0.11 -0.39 -0.20 -0.09 -2.88 0.00 0.00 179.24 175.80 1wfd h ARG 71 N -0.52 -0.24 0.05 0.28 9.65 -1.71 -0.01 114.38 121.89 1wfd h ARG 71 Ca 0.03 0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.95 1wfd h ARG 71 Cb 0.54 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.13 1wfd h ARG 71 CO -0.17 -0.16 -0.46 0.00 2.80 0.00 0.00 179.97 181.99 1wfd h ALA 72 N 0.77 -0.78 -0.17 2.80 0.00 -1.30 -0.39 119.26 120.19 1wfd h ALA 72 Ca 0.10 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wfd h ALA 72 Cb 0.40 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1wfd h ALA 72 CO -0.29 -1.02 -0.25 0.93 0.00 0.00 0.00 179.25 178.62 1wfd h GLU 73 N -0.64 -0.18 -0.99 0.00 5.08 0.06 0.68 114.58 118.59 1wfd h GLU 73 Ca 0.03 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.65 1wfd h GLU 73 Cb 0.69 0.04 -0.18 0.00 0.50 0.00 0.00 28.75 29.80 1wfd h GLU 73 CO -0.30 -0.12 -0.04 -0.91 -1.00 0.00 0.00 179.01 176.64 1wfd h ASN 74 N -0.19 -0.59 0.76 1.42 2.35 -0.74 1.15 115.58 119.75 1wfd h ASN 74 Ca 0.03 0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 1wfd h ASN 74 Cb 0.27 0.52 0.01 0.00 0.05 0.00 0.00 38.32 39.17 1wfd h ASN 74 CO -0.26 -0.35 -0.36 0.40 -1.65 0.00 0.00 177.43 175.20 1wfd h ILE 75 N 0.01 0.00 -0.60 2.81 2.04 0.89 -0.05 117.51 122.61 1wfd h ILE 75 Ca 0.57 -0.04 0.11 0.00 1.00 0.00 0.00 64.86 66.50 1wfd h ILE 75 Cb 1.11 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.08 1wfd h ILE 75 CO -0.95 0.00 -0.26 0.11 0.00 0.00 0.00 178.15 177.05 1wfd h LYS 76 N -1.06 -0.10 -0.61 2.37 1.57 0.34 2.06 116.57 121.14 1wfd h LYS 76 Ca -0.10 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.85 1wfd h LYS 76 Cb 0.78 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 1wfd h LYS 76 CO 0.17 -0.07 0.43 0.87 -0.57 0.00 0.00 179.45 180.28 1wfd h LYS 77 N -0.11 0.07 0.00 3.15 6.56 0.13 1.25 116.57 127.63 1wfd h LYS 77 Ca 0.26 -0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.80 1wfd h LYS 77 Cb 0.52 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.16 1wfd h LYS 77 CO -0.66 0.05 -0.97 -0.92 -2.06 0.00 0.00 179.45 174.89 1wfd h TYR 78 N 0.08 0.00 0.12 -1.35 3.20 0.40 -3.22 116.97 116.20 1wfd h TYR 78 Ca 0.29 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.86 1wfd h TYR 78 Cb 1.05 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.32 1wfd h TYR 78 CO -0.00 0.17 -1.48 -0.07 -1.64 0.00 0.00 178.16 175.15 1wfd h LEU 79 N 0.00 0.41 -0.88 2.82 3.38 0.74 -0.86 115.31 120.91 1wfd h LEU 79 Ca -0.04 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.33 1wfd h LEU 79 Cb 1.17 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1wfd h LEU 79 CO 0.02 1.44 0.13 0.44 0.09 0.00 0.00 178.44 180.56 1wfd h ASP 80 N 0.07 0.90 0.22 -0.43 5.19 0.12 0.11 116.42 122.60 1wfd h ASP 80 Ca -0.22 -0.18 -0.30 0.00 -0.62 0.00 0.00 57.03 55.70 1wfd h ASP 80 Cb 2.01 -0.24 0.03 0.00 0.18 0.00 0.00 39.33 41.32 1wfd h ASP 80 CO 0.17 0.88 -1.31 0.06 -3.12 0.00 0.00 179.24 175.93 1wfd h GLN 81 N 0.91 0.50 -0.54 3.56 3.07 -1.63 -3.13 115.11 117.86 1wfd h GLN 81 Ca 0.19 -0.83 0.00 0.00 0.09 0.00 0.00 58.65 58.10 1wfd h GLN 81 Cb 0.35 0.31 -0.03 0.00 0.08 0.00 0.00 27.48 28.19 1wfd h GLN 81 CO 0.00 1.39 0.34 0.93 0.09 0.00 0.00 178.83 181.59 1wfd h GLU 82 N 0.05 0.72 0.62 0.06 4.39 -0.96 -1.07 114.58 118.39 1wfd h GLU 82 Ca -0.22 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 1wfd h GLU 82 Cb 2.02 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 30.52 1wfd h GLU 82 CO 0.25 0.50 -0.30 0.87 -1.16 0.00 0.00 179.01 179.17 1wfd h LYS 83 N 0.74 -0.80 0.02 2.33 1.57 -0.83 -2.62 116.57 116.99 1wfd h LYS 83 Ca 0.20 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1wfd h LYS 83 Cb -0.05 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1wfd h LYS 83 CO -0.04 -0.50 -0.46 0.93 -0.57 0.00 0.00 179.45 178.82 1wfd h GLU 84 N -0.96 -0.60 -1.25 3.15 4.39 -1.42 0.35 114.58 118.24 1wfd h GLU 84 Ca -0.09 0.04 0.36 0.00 0.34 0.00 0.00 59.36 60.02 1wfd h GLU 84 Cb 0.68 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.41 1wfd h GLU 84 CO 0.14 -0.40 1.09 -0.44 -1.16 0.00 0.00 179.01 178.24 1wfd h ASP 85 N -0.62 0.00 -0.95 1.42 3.32 -1.20 0.14 116.42 118.53 1wfd h ASP 85 Ca 0.03 0.00 0.36 0.00 0.02 0.00 0.00 57.03 57.45 1wfd h ASP 85 Cb 0.68 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.06 1wfd h ASP 85 CO -0.32 0.00 0.39 0.61 -1.72 0.00 0.00 179.24 178.20 1wfd n GLY 86 N -1.76 -0.85 3.69 2.75 0.00 0.12 -4.80 105.19 104.34 1wfd n GLY 86 Ca 0.28 0.81 -0.30 0.00 0.00 0.00 0.00 46.02 46.80 1wfd n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wfd n LYS 87 N -5.21 -1.67 -2.97 1.61 5.02 0.50 -4.95 118.16 110.49 1wfd n LYS 87 Ca 0.33 0.98 0.01 0.00 -2.02 0.00 0.00 58.31 57.60 1wfd n LYS 87 Cb 1.10 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1wfd n LYS 87 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wfd s SER 88 N -2.41 -0.98 0.81 4.39 0.15 -1.26 -5.16 113.70 109.24 1wfd s SER 88 Ca 0.14 -0.58 -0.14 0.00 0.70 0.00 0.00 55.95 56.08 1wfd s SER 88 Cb -0.01 1.26 0.05 0.00 -1.71 0.00 0.00 66.02 65.60 1wfd s SER 88 CO 0.88 -0.10 0.97 0.61 1.20 0.00 0.00 173.24 176.80 1wfd n GLY 89 N 3.93 -0.58 3.81 9.45 0.00 -1.26 -4.98 105.19 115.55 1wfd n GLY 89 Ca 0.09 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1wfd n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfd s PRO 90 N -3.79 2.19 -0.04 1.61 0.04 -1.26 -5.00 135.00 128.74 1wfd s PRO 90 Ca 0.70 0.67 -0.23 0.00 0.04 0.00 0.00 61.00 62.18 1wfd s PRO 90 Cb -0.29 -1.93 -0.17 0.00 0.04 0.00 0.00 34.50 32.15 1wfd s PRO 90 CO 0.54 -1.56 1.02 0.77 0.04 0.00 0.00 177.00 177.82 1wfd h SER 91 N -1.04 -0.15 -2.79 6.66 0.02 -2.09 -3.42 113.55 110.73 1wfd h SER 91 Ca -0.47 -0.39 -0.54 0.00 -0.84 0.00 0.00 61.79 59.56 1wfd h SER 91 Cb 1.26 0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.85 1wfd h SER 91 CO 0.59 0.38 0.92 -0.55 -1.14 0.00 0.00 176.83 177.03 1wfd s SER 92 N -5.50 6.72 0.00 3.07 0.15 -1.26 -5.35 113.70 111.53 1wfd s SER 92 Ca -0.14 2.31 0.00 0.00 0.70 0.00 0.00 55.95 58.82 1wfd s SER 92 Cb 0.01 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1wfd s SER 92 CO 0.55 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.79