#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfd n SER 2 N 0.00 -6.76 -4.48 1.61 7.64 -1.26 -4.62 113.62 105.75 1wfd n SER 2 Ca 0.00 0.84 -0.43 0.00 1.01 0.00 0.00 58.87 60.29 1wfd n SER 2 Cb 0.00 -4.04 -0.09 0.00 -1.01 0.00 0.00 64.21 59.07 1wfd n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfd s SER 3 N -6.34 6.20 -0.31 6.43 0.01 -1.26 -5.03 113.70 113.40 1wfd s SER 3 Ca 0.00 -0.70 -0.29 0.00 1.31 0.00 0.00 55.95 56.27 1wfd s SER 3 Cb 0.00 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 64.01 1wfd s SER 3 CO 0.00 -0.60 1.17 -0.83 0.41 0.00 0.00 173.24 173.39 1wfd s GLY 4 N 1.86 1.49 0.15 3.44 0.00 -1.26 -5.00 107.32 108.00 1wfd s GLY 4 Ca 0.12 0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.88 1wfd s GLY 4 CO 0.13 2.40 -0.03 -0.45 0.00 0.00 0.00 173.10 175.16 1wfd s SER 5 N 2.09 1.24 0.34 1.64 0.15 -1.26 -5.08 113.70 112.82 1wfd s SER 5 Ca 0.50 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1wfd s SER 5 Cb -0.14 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1wfd s SER 5 CO 0.18 -0.52 0.00 -0.24 1.20 0.00 0.00 173.24 173.87 1wfd n SER 6 N -0.18 -7.77 0.00 5.45 2.88 -1.26 -5.03 113.62 107.71 1wfd n SER 6 Ca -0.08 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1wfd n SER 6 Cb 0.62 -3.80 0.00 0.00 -0.75 0.00 0.00 64.21 60.28 1wfd n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfd n GLY 7 N -0.00 -0.89 2.78 0.46 0.00 -1.26 -5.05 105.19 101.22 1wfd n GLY 7 Ca 0.00 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.37 1wfd n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wfd n GLN 8 N -0.76 -3.13 -3.86 1.61 1.13 -1.26 -5.06 117.38 106.04 1wfd n GLN 8 Ca 0.00 2.57 -0.11 0.00 -1.94 0.00 0.00 57.00 57.51 1wfd n GLN 8 Cb 0.00 -5.19 -0.12 0.00 0.11 0.00 0.00 30.24 25.05 1wfd n GLN 8 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1wfd s ASP 9 N -1.78 -0.03 0.01 1.08 1.11 -1.26 -5.05 116.67 110.76 1wfd s ASP 9 Ca 0.05 -0.01 -0.11 0.00 0.18 0.00 0.00 52.55 52.66 1wfd s ASP 9 Cb -0.01 0.21 0.04 0.00 1.07 0.00 0.00 42.92 44.23 1wfd s ASP 9 CO 0.75 -0.19 0.52 -0.24 1.18 0.00 0.00 175.17 177.19 1wfd n SER 10 N 2.28 -0.57 -0.01 0.27 2.88 -1.26 -4.99 113.62 112.22 1wfd n SER 10 Ca -0.17 -1.17 -0.00 0.00 -1.33 0.00 0.00 58.87 56.19 1wfd n SER 10 Cb 0.57 0.89 -0.00 0.00 -0.75 0.00 0.00 64.21 64.92 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 0.85 -0.01 0.00 -3.46 3.58 -2.01 -3.28 116.42 112.08 1wfd h ASP 11 Ca -0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1wfd h ASP 11 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1wfd h ASP 11 CO 0.14 0.18 0.00 0.28 -2.88 0.00 0.00 179.24 176.97 1wfd h SER 12 N -0.39 0.00 0.73 2.28 0.02 -1.98 -2.70 113.55 111.51 1wfd h SER 12 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1wfd h SER 12 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1wfd h SER 12 CO 0.00 0.00 -0.40 0.74 -1.14 0.00 0.00 176.83 176.03 1wfd h THR 13 N 0.00 0.00 -1.20 -2.27 2.02 -1.95 0.75 112.91 110.27 1wfd h THR 13 Ca 0.00 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.56 1wfd h THR 13 Cb 0.01 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.29 1wfd h THR 13 CO 0.00 0.00 0.76 0.00 0.37 0.00 0.00 175.52 176.65 1wfd h ALA 14 N -1.38 2.50 -0.07 6.16 0.00 -1.54 1.05 119.26 125.99 1wfd h ALA 14 Ca -0.10 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1wfd h ALA 14 Cb 0.82 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wfd h ALA 14 CO 0.13 -1.08 -0.02 0.00 0.00 0.00 0.00 179.25 178.28 1wfd h ALA 15 N 1.64 0.09 -1.00 0.00 0.00 -1.45 0.53 119.26 119.07 1wfd h ALA 15 Ca 0.75 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.60 1wfd h ALA 15 Cb 2.19 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.86 1wfd h ALA 15 CO -0.42 -0.18 0.62 0.28 0.00 0.00 0.00 179.25 179.55 1wfd h VAL 16 N -0.22 0.82 0.32 0.00 2.07 0.34 1.50 116.25 121.07 1wfd h VAL 16 Ca 0.02 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1wfd h VAL 16 Cb 0.43 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1wfd h VAL 16 CO 0.01 0.16 -0.15 0.00 0.02 0.00 0.00 177.57 177.61 1wfd h ALA 17 N 1.59 -0.44 -0.99 1.67 0.00 -0.69 -0.70 119.26 119.70 1wfd h ALA 17 Ca 0.53 -0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.58 1wfd h ALA 17 Cb 0.68 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.52 1wfd h ALA 17 CO -0.31 -0.41 0.57 -0.24 0.00 0.00 0.00 179.25 178.87 1wfd h VAL 18 N -1.07 0.54 -0.28 0.00 3.04 0.48 0.50 116.25 119.46 1wfd h VAL 18 Ca -0.04 -0.20 -0.04 0.00 -1.01 0.00 0.00 66.70 65.41 1wfd h VAL 18 Cb 0.32 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.51 1wfd h VAL 18 CO 0.07 0.11 0.03 -0.07 -1.01 0.00 0.00 177.57 176.69 1wfd h LEU 19 N 0.58 0.47 -0.14 3.16 3.38 0.21 0.31 115.31 123.27 1wfd h LEU 19 Ca 0.63 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 58.35 1wfd h LEU 19 Cb 1.18 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1wfd h LEU 19 CO -0.47 0.63 -0.07 0.50 0.09 0.00 0.00 178.44 179.12 1wfd h LYS 20 N 0.29 -0.05 0.29 1.13 1.63 0.14 -1.29 116.57 118.71 1wfd h LYS 20 Ca 0.08 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1wfd h LYS 20 Cb 0.38 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1wfd h LYS 20 CO 0.01 -0.04 -0.24 0.00 -3.45 0.00 0.00 179.45 175.74 1wfd h ARG 21 N -0.06 -0.52 -0.76 1.90 2.47 -0.39 -2.35 114.38 114.67 1wfd h ARG 21 Ca 0.08 0.04 0.11 0.00 -1.26 0.00 0.00 59.98 58.94 1wfd h ARG 21 Cb 0.17 0.12 -0.12 0.00 -1.65 0.00 0.00 29.97 28.49 1wfd h ARG 21 CO -0.18 -0.35 -0.44 0.00 0.56 0.00 0.00 179.97 179.57 1wfd h ALA 22 N 0.10 -0.20 -0.63 0.04 0.00 -0.60 0.55 119.26 118.52 1wfd h ALA 22 Ca -0.02 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1wfd h ALA 22 Cb 0.48 1.02 -0.12 0.00 0.00 0.00 0.00 17.79 19.17 1wfd h ALA 22 CO -0.02 -0.78 -0.21 0.28 0.00 0.00 0.00 179.25 178.52 1wfd h VAL 23 N -0.13 0.30 0.53 0.00 2.07 -0.94 0.49 116.25 118.56 1wfd h VAL 23 Ca 0.23 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 1wfd h VAL 23 Cb 0.55 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1wfd h VAL 23 CO -0.81 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 175.97 1wfd h GLU 24 N -0.05 -0.96 -0.80 1.57 4.39 0.45 -0.08 114.58 119.10 1wfd h GLU 24 Ca 0.29 0.07 0.19 0.00 0.34 0.00 0.00 59.36 60.25 1wfd h GLU 24 Cb 0.50 0.22 -0.13 0.00 -0.10 0.00 0.00 28.75 29.24 1wfd h GLU 24 CO -0.67 -0.64 0.17 -0.07 -1.16 0.00 0.00 179.01 176.64 1wfd h LEU 25 N -1.00 -0.05 -1.42 1.33 3.38 0.47 1.41 115.31 119.42 1wfd h LEU 25 Ca -0.07 0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.15 1wfd h LEU 25 Cb 0.86 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1wfd h LEU 25 CO -0.04 -0.11 0.47 -0.78 0.09 0.00 0.00 178.44 178.07 1wfd h ASP 26 N 0.22 0.61 1.16 -0.43 3.58 0.60 0.57 116.42 122.73 1wfd h ASP 26 Ca 0.47 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.80 1wfd h ASP 26 Cb 0.87 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 1wfd h ASP 26 CO -0.60 0.39 -0.61 0.00 -2.88 0.00 0.00 179.24 175.53 1wfd h ALA 27 N 1.62 0.68 -0.03 -0.78 0.00 0.34 -2.86 119.26 118.24 1wfd h ALA 27 Ca 0.31 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wfd h ALA 27 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wfd h ALA 27 CO -0.10 0.77 0.00 0.39 0.00 0.00 0.00 179.25 180.30 1wfd n GLU 28 N -3.36 1.31 -0.96 0.00 -0.58 0.20 -4.86 120.64 112.39 1wfd n GLU 28 Ca 0.01 -0.45 0.00 0.00 -0.42 0.00 0.00 57.16 56.29 1wfd n GLU 28 Cb 0.73 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 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 -0.41 -1.44 -3.58 1.62 3.41 0.13 -4.91 113.62 108.43 1wfd n SER 29 Ca 0.19 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.40 1wfd n SER 29 Cb 0.21 -0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 63.56 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 -2.19 3.91 -0.09 4.33 1.74 0.16 -4.67 116.66 119.86 1wfd n ARG 30 Ca 0.00 -3.11 0.00 0.00 -0.77 0.00 0.00 57.85 53.98 1wfd n ARG 30 Cb 0.03 -2.83 0.29 0.00 -1.02 0.00 0.00 32.46 28.93 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 5.19 0.71 0.00 -1.55 0.05 -1.88 0.49 116.97 119.99 1wfd h TYR 31 Ca 0.64 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.39 1wfd h TYR 31 Cb 0.43 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1wfd h TYR 31 CO 1.55 0.54 0.00 0.37 -1.05 0.00 0.00 178.16 179.57 1wfd h GLN 32 N 0.72 0.00 0.00 4.88 -0.00 -1.95 0.49 115.11 119.25 1wfd h GLN 32 Ca 0.18 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.58 1wfd h GLN 32 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.54 1wfd h GLN 32 CO -0.02 0.00 -1.94 1.04 0.00 0.00 0.00 178.83 177.91 1wfd n GLN 33 N -2.90 0.92 0.26 1.69 6.02 -0.25 -4.33 117.38 118.78 1wfd n GLN 33 Ca -0.03 0.06 0.14 0.00 -0.01 0.00 0.00 57.00 57.16 1wfd n GLN 33 Cb 0.06 -1.34 0.64 0.00 1.02 0.00 0.00 30.24 30.62 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 0.22 1.08 0.33 -1.58 0.00 0.48 -1.96 119.26 117.83 1wfd h ALA 34 Ca -0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1wfd h ALA 34 Cb 1.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1wfd h ALA 34 CO -0.03 0.15 -0.16 1.25 0.00 0.00 0.00 179.25 180.46 1wfd h LEU 35 N 0.00 -0.38 -0.46 0.00 7.12 -0.24 0.11 115.31 121.45 1wfd h LEU 35 Ca -0.00 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.11 1wfd h LEU 35 Cb 0.53 0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 40.68 1wfd h LEU 35 CO 0.02 -0.18 -0.07 -0.37 -0.13 0.00 0.00 178.44 177.71 1wfd h VAL 36 N -0.63 0.58 -0.18 1.05 -1.51 -1.74 0.41 116.25 114.23 1wfd h VAL 36 Ca -0.05 -0.01 0.05 0.00 -1.23 0.00 0.00 66.70 65.46 1wfd h VAL 36 Cb 0.34 0.54 -0.06 0.00 -2.13 0.00 0.00 31.29 29.98 1wfd h VAL 36 CO 0.08 0.01 -0.27 0.00 -1.23 0.00 0.00 177.57 176.16 1wfd h TYR 38 N -0.31 0.97 -0.24 0.00 0.05 0.83 -1.21 116.97 117.06 1wfd h TYR 38 Ca 0.11 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.76 1wfd h TYR 38 Cb 0.49 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1wfd h TYR 38 CO -0.38 0.46 -0.49 1.96 -1.05 0.00 0.00 178.16 178.65 1wfd h GLN 39 N 0.91 0.76 -0.80 4.88 1.08 0.21 -1.34 115.11 120.80 1wfd h GLN 39 Ca 0.40 -0.49 0.09 0.00 -1.45 0.00 0.00 58.65 57.20 1wfd h GLN 39 Cb 0.36 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.78 1wfd h GLN 39 CO -0.17 1.12 0.46 0.93 -0.95 0.00 0.00 178.83 180.22 1wfd h GLU 40 N 0.49 0.77 -0.02 1.46 5.08 0.30 0.18 114.58 122.83 1wfd h GLU 40 Ca 0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1wfd h GLU 40 Cb 1.10 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1wfd h GLU 40 CO 0.11 0.51 -0.04 0.78 -1.00 0.00 0.00 179.01 179.36 1wfd h GLY 41 N 0.79 0.08 0.17 -3.84 0.00 -1.21 -2.16 103.07 96.90 1wfd h GLY 41 Ca 0.38 -0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.71 1wfd h GLY 41 CO -0.23 0.08 -0.06 -2.22 0.00 0.00 0.00 176.54 174.12 1wfd h ILE 42 N -0.45 0.60 -0.40 2.60 2.04 -0.80 1.06 117.51 122.15 1wfd h ILE 42 Ca 0.00 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1wfd h ILE 42 Cb 0.60 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1wfd h ILE 42 CO 0.01 0.01 0.16 -0.78 0.00 0.00 0.00 178.15 177.55 1wfd h ASP 43 N 0.05 0.21 -0.26 1.72 1.82 -0.69 0.67 116.42 119.94 1wfd h ASP 43 Ca 0.22 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.89 1wfd h ASP 43 Cb 0.34 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1wfd h ASP 43 CO -0.42 0.16 0.13 0.24 -1.61 0.00 0.00 179.24 177.74 1wfd h MET 44 N 0.34 0.37 0.13 0.28 2.86 -0.34 -2.74 114.93 115.83 1wfd h MET 44 Ca 0.18 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1wfd h MET 44 Cb 0.13 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1wfd h MET 44 CO -0.16 0.35 -0.06 -0.07 1.06 0.00 0.00 176.91 178.03 1wfd h LEU 45 N 0.29 -0.15 -0.98 1.22 3.38 0.16 -1.57 115.31 117.67 1wfd h LEU 45 Ca 0.09 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.16 1wfd h LEU 45 Cb 0.10 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.75 1wfd h LEU 45 CO -0.01 -0.07 -0.46 0.18 0.09 0.00 0.00 178.44 178.17 1wfd n LEU 46 N -5.15 -0.79 -0.29 1.67 4.77 0.23 0.20 117.00 117.64 1wfd n LEU 46 Ca -0.08 1.72 0.01 0.00 -0.03 0.00 0.00 56.01 57.62 1wfd n LEU 46 Cb 0.11 -0.33 0.20 0.00 -2.33 0.00 0.00 43.42 41.07 1wfd n LEU 46 CO 0.34 -1.49 1.26 1.56 -1.33 0.00 0.00 177.39 177.73 1wfd h GLN 47 N 0.00 1.10 0.75 3.23 4.20 -1.25 0.28 115.11 123.42 1wfd h GLN 47 Ca 0.27 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 1wfd h GLN 47 Cb 0.51 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 28.05 1wfd h GLN 47 CO -0.95 0.73 -0.36 0.28 -0.67 0.00 0.00 178.83 177.85 1wfd h VAL 48 N 1.13 0.20 0.00 -0.54 2.07 0.32 -1.93 116.25 117.50 1wfd h VAL 48 Ca 0.33 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.75 1wfd h VAL 48 Cb -0.06 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 1wfd h VAL 48 CO -0.08 0.01 -0.26 0.25 0.02 0.00 0.00 177.57 177.51 1wfd h LEU 49 N -1.11 -0.77 -1.54 2.57 7.12 0.12 0.33 115.31 122.03 1wfd h LEU 49 Ca -0.10 0.10 0.18 0.00 0.13 0.00 0.00 57.88 58.19 1wfd h LEU 49 Cb 0.79 0.31 -0.02 0.00 -0.53 0.00 0.00 40.66 41.21 1wfd h LEU 49 CO 0.17 -0.33 0.77 0.11 -0.13 0.00 0.00 178.44 179.03 1wfd h LYS 50 N -0.40 0.00 -0.91 1.25 1.79 -0.40 1.14 116.57 119.04 1wfd h LYS 50 Ca 0.06 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.93 1wfd h LYS 50 Cb 0.48 0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 30.75 1wfd h LYS 50 CO -0.23 0.00 -0.24 0.41 -1.08 0.00 0.00 179.45 178.31 1wfd n GLY 51 N -1.56 6.20 2.90 3.86 0.00 0.11 -4.96 105.19 111.73 1wfd n GLY 51 Ca 0.13 -2.56 -0.23 0.00 0.00 0.00 0.00 46.02 43.35 1wfd n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfd s THR 52 N -4.74 0.76 -0.13 2.61 2.01 0.39 -4.95 115.64 111.60 1wfd s THR 52 Ca 0.55 -0.19 0.11 0.00 0.31 0.00 0.00 61.69 62.47 1wfd s THR 52 Cb 0.44 -0.79 -0.24 0.00 0.01 0.00 0.00 72.50 71.93 1wfd s THR 52 CO -0.00 0.30 0.35 0.29 -0.69 0.00 0.00 174.62 174.86 1wfd n LYS 53 N 4.48 0.67 -1.52 4.92 5.02 -1.26 -4.82 118.16 125.64 1wfd n LYS 53 Ca -0.17 0.18 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1wfd n LYS 53 Cb 0.51 -1.67 -0.12 0.00 -0.02 0.00 0.00 35.03 33.73 1wfd n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wfd n GLU 54 N -3.03 0.35 -0.26 1.97 4.71 -1.26 -4.75 120.64 118.38 1wfd n GLU 54 Ca -0.27 -0.12 -0.00 0.00 -0.01 0.00 0.00 57.16 56.76 1wfd n GLU 54 Cb 1.08 -2.22 0.07 0.00 -1.01 0.00 0.00 31.44 29.36 1wfd n GLU 54 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1wfd h SER 55 N 13.95 -0.88 0.22 1.62 4.64 -1.99 0.65 113.55 131.76 1wfd h SER 55 Ca -0.08 0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1wfd h SER 55 Cb 1.22 0.52 -0.03 0.00 -0.31 0.00 0.00 62.40 63.81 1wfd h SER 55 CO 1.32 -0.27 -0.29 0.28 -0.87 0.00 0.00 176.83 177.00 1wfd h SER 56 N -0.04 -0.81 0.03 4.97 0.02 -2.00 -0.99 113.55 114.74 1wfd h SER 56 Ca 0.33 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.39 1wfd h SER 56 Cb 0.56 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 63.34 1wfd h SER 56 CO -0.78 -0.40 -0.43 0.11 -1.14 0.00 0.00 176.83 174.19 1wfd h LYS 57 N -0.57 -0.58 -0.89 3.45 1.57 -1.28 -0.73 116.57 117.54 1wfd h LYS 57 Ca 0.01 0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.05 1wfd h LYS 57 Cb 0.55 0.13 -0.16 0.00 0.08 0.00 0.00 32.23 32.83 1wfd h LYS 57 CO -0.11 -0.39 0.02 0.00 -0.57 0.00 0.00 179.45 178.41 1wfd h ARG 58 N -0.60 0.06 0.12 3.15 3.08 0.45 1.71 114.38 122.36 1wfd h ARG 58 Ca 0.04 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1wfd h ARG 58 Cb 0.67 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 1wfd h ARG 58 CO -0.30 0.04 -0.30 0.00 -1.07 0.00 0.00 179.97 178.35 1wfd h VAL 60 N -0.52 0.71 -0.05 0.00 2.07 0.94 -0.14 116.25 119.26 1wfd h VAL 60 Ca 0.03 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1wfd h VAL 60 Cb 0.54 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1wfd h VAL 60 CO -0.17 0.01 -0.16 -0.07 0.02 0.00 0.00 177.57 177.20 1wfd h LEU 61 N -0.44 -0.51 -1.72 2.57 3.38 0.27 0.90 115.31 119.76 1wfd h LEU 61 Ca -0.04 0.06 0.35 0.00 0.09 0.00 0.00 57.88 58.34 1wfd h LEU 61 Cb 0.34 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1wfd h LEU 61 CO 0.07 -0.14 0.83 0.03 0.09 0.00 0.00 178.44 179.32 1wfd h ARG 62 N -0.17 0.13 -0.05 1.13 3.08 0.66 1.59 114.38 120.76 1wfd h ARG 62 Ca 0.01 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1wfd h ARG 62 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1wfd h ARG 62 CO -0.13 0.09 -0.71 1.15 -1.07 0.00 0.00 179.97 179.29 1wfd h THR 63 N 0.14 1.42 0.12 2.04 2.02 0.13 -2.53 112.91 116.25 1wfd h THR 63 Ca 0.63 -2.22 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 1wfd h THR 63 Cb 2.16 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 70.75 1wfd h THR 63 CO -0.15 0.65 -0.06 0.11 0.37 0.00 0.00 175.52 176.44 1wfd h LYS 64 N 0.16 -0.15 -0.05 6.66 1.57 0.92 -1.44 116.57 124.23 1wfd h LYS 64 Ca -0.02 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1wfd h LYS 64 Cb 1.27 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1wfd h LYS 64 CO 0.11 0.26 -0.09 0.82 -0.57 0.00 0.00 179.45 179.99 1wfd h ILE 65 N -0.94 0.00 -0.73 1.86 2.04 -0.38 0.62 117.51 119.98 1wfd h ILE 65 Ca -0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.99 1wfd h ILE 65 Cb 0.49 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.47 1wfd h ILE 65 CO 0.03 0.00 0.22 -1.28 0.00 0.00 0.00 178.15 177.12 1wfd h SER 66 N -0.07 0.12 -0.85 1.72 0.87 -1.61 0.40 113.55 114.14 1wfd h SER 66 Ca 0.01 0.13 0.14 0.00 -1.23 0.00 0.00 61.79 60.84 1wfd h SER 66 Cb 0.10 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 1wfd h SER 66 CO -0.09 0.03 0.55 1.23 -0.53 0.00 0.00 176.83 178.02 1wfd h GLY 67 N 0.34 1.05 1.21 5.77 0.00 -0.02 0.47 103.07 111.88 1wfd h GLY 67 Ca 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1wfd h GLY 67 CO -0.45 0.08 -0.37 -1.72 0.00 0.00 0.00 176.54 174.08 1wfd n TYR 68 N -4.53 0.00 0.02 5.60 4.01 0.20 -3.84 117.16 118.62 1wfd n TYR 68 Ca 0.16 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.69 1wfd n TYR 68 Cb 0.48 -0.30 -0.14 0.00 -0.31 0.00 0.00 39.34 39.07 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 0.05 0.26 -0.02 -0.72 2.86 0.29 -3.00 114.93 114.65 1wfd h MET 69 Ca 0.00 -0.45 0.03 0.00 -2.06 0.00 0.00 59.70 57.22 1wfd h MET 69 Cb 0.50 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1wfd h MET 69 CO 0.00 1.22 -0.16 0.22 1.06 0.00 0.00 176.91 179.25 1wfd h ASP 70 N -0.31 -0.47 -0.33 1.22 3.58 -1.13 0.33 116.42 119.33 1wfd h ASP 70 Ca -0.27 0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.29 1wfd h ASP 70 Cb 1.74 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 42.96 1wfd h ASP 70 CO 0.09 -0.22 0.11 -0.09 -2.88 0.00 0.00 179.24 176.25 1wfd h ARG 71 N -0.25 0.25 -0.15 0.28 9.65 -1.72 -0.45 114.38 121.99 1wfd h ARG 71 Ca 0.06 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 1wfd h ARG 71 Cb 0.33 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.81 1wfd h ARG 71 CO -0.17 0.16 -0.11 0.00 2.80 0.00 0.00 179.97 182.66 1wfd h ALA 72 N 1.21 0.02 0.12 2.80 0.00 -1.26 -1.08 119.26 121.06 1wfd h ALA 72 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1wfd h ALA 72 Cb 0.12 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1wfd h ALA 72 CO -0.15 -0.55 -0.24 0.93 0.00 0.00 0.00 179.25 179.24 1wfd h GLU 73 N -0.11 -0.37 -1.00 0.00 5.08 0.21 0.64 114.58 119.02 1wfd h GLU 73 Ca 0.09 0.03 0.29 0.00 -1.00 0.00 0.00 59.36 58.77 1wfd h GLU 73 Cb 0.25 0.09 -0.19 0.00 0.50 0.00 0.00 28.75 29.40 1wfd h GLU 73 CO -0.22 -0.25 0.07 0.09 -1.00 0.00 0.00 179.01 177.70 1wfd n ASN 74 N -3.81 -0.07 0.38 1.42 3.02 -0.23 0.13 115.26 116.09 1wfd n ASN 74 Ca -0.04 1.69 -0.15 0.00 -0.03 0.00 0.00 54.58 56.05 1wfd n ASN 74 Cb 0.20 -0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 38.66 1wfd n ASN 74 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1wfd h ILE 75 N 0.00 0.00 -0.57 2.41 2.04 -0.23 -0.78 117.51 120.38 1wfd h ILE 75 Ca 0.63 -0.12 0.11 0.00 1.00 0.00 0.00 64.86 66.47 1wfd h ILE 75 Cb 1.34 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.31 1wfd h ILE 75 CO -0.92 0.00 -0.30 0.11 0.00 0.00 0.00 178.15 177.04 1wfd h LYS 76 N -1.09 -0.14 -0.69 2.37 1.57 0.37 2.04 116.57 121.01 1wfd h LYS 76 Ca -0.10 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.88 1wfd h LYS 76 Cb 0.74 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1wfd h LYS 76 CO 0.16 -0.09 0.49 0.87 -0.57 0.00 0.00 179.45 180.31 1wfd h LYS 77 N -0.14 0.06 0.00 3.15 6.56 0.12 1.46 116.57 127.78 1wfd h LYS 77 Ca 0.24 -0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.80 1wfd h LYS 77 Cb 0.53 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.17 1wfd h LYS 77 CO -0.65 0.04 -0.96 -0.92 -2.06 0.00 0.00 179.45 174.90 1wfd h TYR 78 N 0.06 0.00 0.20 -1.35 3.20 0.34 -3.25 116.97 116.18 1wfd h TYR 78 Ca 0.33 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.85 1wfd h TYR 78 Cb 1.22 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.51 1wfd h TYR 78 CO -0.00 0.11 -1.69 -0.07 -1.64 0.00 0.00 178.16 174.87 1wfd h LEU 79 N 0.00 0.66 -0.47 2.82 3.38 0.83 -2.60 115.31 119.92 1wfd h LEU 79 Ca -0.03 -0.91 0.03 0.00 0.09 0.00 0.00 57.88 57.06 1wfd h LEU 79 Cb 1.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1wfd h LEU 79 CO 0.01 1.76 0.26 0.44 0.09 0.00 0.00 178.44 181.00 1wfd h ASP 80 N 0.11 0.41 -0.51 -0.43 3.32 0.15 0.35 116.42 119.83 1wfd h ASP 80 Ca -0.32 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 1wfd h ASP 80 Cb 2.11 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 41.58 1wfd h ASP 80 CO 0.20 0.29 -0.16 0.06 -1.72 0.00 0.00 179.24 177.90 1wfd h GLN 81 N 0.52 1.00 -0.08 3.56 3.07 -1.67 -2.67 115.11 118.84 1wfd h GLN 81 Ca 0.20 -0.40 -0.04 0.00 0.09 0.00 0.00 58.65 58.49 1wfd h GLN 81 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.56 1wfd h GLN 81 CO -0.11 1.08 -0.16 0.93 0.09 0.00 0.00 178.83 180.66 1wfd h GLU 82 N 0.87 0.12 0.20 0.06 4.39 -0.97 -2.49 114.58 116.76 1wfd h GLU 82 Ca 0.12 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1wfd h GLU 82 Cb 0.74 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1wfd h GLU 82 CO 0.06 0.29 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.83 1wfd h LYS 83 N 0.12 -0.34 0.00 2.33 3.64 0.04 0.19 116.57 122.55 1wfd h LYS 83 Ca 0.02 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1wfd h LYS 83 Cb 0.36 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1wfd h LYS 83 CO 0.02 -0.22 0.00 0.39 -2.27 0.00 0.00 179.45 177.37 1wfd n GLU 84 N -5.27 0.02 -0.91 1.90 1.02 -1.03 -2.33 120.64 114.04 1wfd n GLU 84 Ca -0.08 0.31 -0.19 0.00 -0.02 0.00 0.00 57.16 57.18 1wfd n GLU 84 Cb 0.18 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.17 1wfd n GLU 84 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wfd n ASP 85 N -1.48 5.66 -3.07 1.62 -0.08 0.02 -4.80 116.55 114.42 1wfd n ASP 85 Ca 0.03 -3.14 -0.19 0.00 -1.51 0.00 0.00 54.79 49.97 1wfd n ASP 85 Cb 0.12 -0.93 -0.00 0.00 2.34 0.00 0.00 41.12 42.65 1wfd n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wfd n GLY 86 N -0.12 -0.49 2.64 0.27 0.00 -0.99 -4.90 105.19 101.60 1wfd n GLY 86 Ca 0.37 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 1wfd n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfd s LYS 87 N -5.70 1.35 -0.15 1.61 1.02 -0.99 -4.95 119.74 111.93 1wfd s LYS 87 Ca 0.28 -2.24 -0.18 0.00 0.02 0.00 0.00 55.97 53.84 1wfd s LYS 87 Cb -0.14 -2.20 -0.16 0.00 -0.52 0.00 0.00 37.83 34.81 1wfd s LYS 87 CO 0.34 -1.26 0.35 1.03 -0.92 0.00 0.00 175.35 174.89 1wfd h SER 88 N 6.18 0.00 -3.52 2.83 0.87 -1.81 -3.24 113.55 114.87 1wfd h SER 88 Ca 0.11 -0.53 -0.47 0.00 -1.23 0.00 0.00 61.79 59.67 1wfd h SER 88 Cb 0.89 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.69 1wfd h SER 88 CO 0.48 0.97 -0.76 -0.83 -0.53 0.00 0.00 176.83 176.16 1wfd s GLY 89 N -4.22 1.34 0.77 5.77 0.00 -1.26 -4.97 107.32 104.74 1wfd s GLY 89 Ca -0.16 -1.52 -0.11 0.00 0.00 0.00 0.00 44.72 42.92 1wfd s GLY 89 CO 0.45 -1.59 1.09 2.56 0.00 0.00 0.00 173.10 175.61 1wfd s PRO 90 N -3.14 2.32 0.10 2.90 0.04 -1.26 -5.01 135.00 130.95 1wfd s PRO 90 Ca 0.17 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 1wfd s PRO 90 Cb -0.03 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1wfd s PRO 90 CO 0.06 -1.47 0.97 -1.12 0.04 0.00 0.00 177.00 175.47 1wfd s SER 91 N -3.88 7.48 -0.27 6.66 0.01 -1.26 -4.41 113.70 118.03 1wfd s SER 91 Ca 0.60 1.79 -0.00 0.00 1.31 0.00 0.00 55.95 59.65 1wfd s SER 91 Cb -0.14 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1wfd s SER 91 CO 0.54 -0.09 0.00 -1.20 0.41 0.00 0.00 173.24 172.91 1wfd n SER 92 N 2.87 -7.81 0.00 2.44 7.64 -1.26 -5.26 113.62 112.24 1wfd n SER 92 Ca 0.03 1.31 0.14 0.00 1.01 0.00 0.00 58.87 61.36 1wfd n SER 92 Cb 0.49 -4.87 0.84 0.00 -1.01 0.00 0.00 64.21 59.67 1wfd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64