#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 -3.00 -4.72 1.61 7.64 -1.26 -4.87 113.62 109.02 1wfd n SER 2 Ca 0.00 1.18 -0.42 0.00 1.01 0.00 0.00 58.87 60.64 1wfd n SER 2 Cb 0.00 -4.29 -0.03 0.00 -1.01 0.00 0.00 64.21 58.88 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 -0.50 6.46 0.00 6.43 0.01 -1.26 -4.99 113.70 119.85 1wfd s SER 3 Ca -0.15 2.79 0.00 0.00 1.31 0.00 0.00 55.95 59.89 1wfd s SER 3 Cb 0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1wfd s SER 3 CO 0.42 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.77 1wfd n GLY 4 N 3.59 4.14 2.38 3.44 0.00 -1.26 -5.11 105.19 112.37 1wfd n GLY 4 Ca 0.14 -1.93 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 1wfd n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfd n SER 5 N 0.00 -0.53 0.00 1.61 3.41 -1.26 -5.01 113.62 111.84 1wfd n SER 5 Ca 0.00 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 1wfd n SER 5 Cb 0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1wfd n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wfd n SER 6 N 2.60 0.00 0.00 4.04 7.64 -1.26 -5.14 113.62 121.50 1wfd n SER 6 Ca 0.28 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1wfd n SER 6 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1wfd n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfd n GLY 7 N 0.00 1.19 3.09 0.23 0.00 -1.26 -4.98 105.19 103.46 1wfd n GLY 7 Ca 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 5.19 -1.01 -4.19 1.61 6.02 -1.26 -4.96 117.38 118.78 1wfd n GLN 8 Ca 0.00 1.20 -0.33 0.00 -0.01 0.00 0.00 57.00 57.86 1wfd n GLN 8 Cb 0.00 -1.61 -0.08 0.00 1.02 0.00 0.00 30.24 29.57 1wfd n GLN 8 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1wfd s ASP 9 N -0.86 5.45 0.17 1.08 -4.77 -1.26 -5.02 116.67 111.46 1wfd s ASP 9 Ca -0.01 0.10 -0.02 0.00 -3.30 0.00 0.00 52.55 49.32 1wfd s ASP 9 Cb 0.00 -1.52 0.01 0.00 -1.09 0.00 0.00 42.92 40.32 1wfd s ASP 9 CO 0.12 0.29 0.24 -1.20 0.70 0.00 0.00 175.17 175.33 1wfd n SER 10 N 1.39 -0.69 0.00 2.11 7.64 -1.26 -5.04 113.62 117.77 1wfd n SER 10 Ca -0.14 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1wfd n SER 10 Cb 0.53 1.26 0.00 0.00 -1.01 0.00 0.00 64.21 64.99 1wfd n SER 10 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wfd n ASP 11 N -1.81 0.00 0.02 6.43 9.92 -1.26 -3.49 116.55 126.36 1wfd n ASP 11 Ca -0.00 0.46 0.22 0.00 -0.53 0.00 0.00 54.79 54.94 1wfd n ASP 11 Cb 0.27 -0.32 0.67 0.00 -0.64 0.00 0.00 41.12 41.10 1wfd n ASP 11 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1wfd h SER 12 N 0.00 0.00 0.15 -2.24 0.02 -1.99 -1.34 113.55 108.15 1wfd h SER 12 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wfd h SER 12 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1wfd h SER 12 CO 0.00 0.00 -0.39 0.74 -1.14 0.00 0.00 176.83 176.04 1wfd h THR 13 N 0.00 0.00 -1.17 -2.27 2.02 -1.97 0.36 112.91 109.88 1wfd h THR 13 Ca 0.27 0.00 0.43 0.00 0.77 0.00 0.00 66.41 67.87 1wfd h THR 13 Cb 1.55 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.81 1wfd h THR 13 CO -0.00 0.00 0.70 0.00 0.37 0.00 0.00 175.52 176.59 1wfd h ALA 14 N -0.87 2.44 -0.01 6.16 0.00 -1.27 1.53 119.26 127.23 1wfd h ALA 14 Ca -0.01 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wfd h ALA 14 Cb 0.59 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1wfd h ALA 14 CO -0.18 -1.15 0.00 0.00 0.00 0.00 0.00 179.25 177.92 1wfd h ALA 15 N 1.79 0.02 -1.00 0.00 0.00 -1.08 0.70 119.26 119.69 1wfd h ALA 15 Ca 0.84 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.79 1wfd h ALA 15 Cb 2.41 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 20.09 1wfd h ALA 15 CO -0.60 -0.34 0.60 0.28 0.00 0.00 0.00 179.25 179.20 1wfd h VAL 16 N -0.25 0.71 0.27 0.00 2.07 0.39 1.53 116.25 120.97 1wfd h VAL 16 Ca 0.00 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1wfd h VAL 16 Cb 0.28 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1wfd h VAL 16 CO 0.00 0.14 -0.13 0.00 0.02 0.00 0.00 177.57 177.60 1wfd h ALA 17 N 1.64 -0.37 -1.02 1.67 0.00 -0.74 -0.67 119.26 119.77 1wfd h ALA 17 Ca 0.57 -0.10 0.26 0.00 0.00 0.00 0.00 54.91 55.64 1wfd h ALA 17 Cb 0.87 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.69 1wfd h ALA 17 CO -0.38 -0.35 0.62 -0.24 0.00 0.00 0.00 179.25 178.91 1wfd h VAL 18 N -1.08 0.51 -0.21 0.00 3.04 0.99 0.57 116.25 120.06 1wfd h VAL 18 Ca -0.04 -0.17 -0.06 0.00 -1.01 0.00 0.00 66.70 65.42 1wfd h VAL 18 Cb 0.32 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.56 1wfd h VAL 18 CO 0.06 0.09 -0.10 -0.07 -1.01 0.00 0.00 177.57 176.54 1wfd h LEU 19 N 0.50 0.45 -0.49 3.16 3.38 0.21 0.11 115.31 122.64 1wfd h LEU 19 Ca 0.64 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1wfd h LEU 19 Cb 1.36 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 1wfd h LEU 19 CO -0.43 0.76 0.23 0.50 0.09 0.00 0.00 178.44 179.60 1wfd h LYS 20 N 0.15 0.44 0.41 1.13 1.63 0.15 -0.95 116.57 119.54 1wfd h LYS 20 Ca 0.05 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1wfd h LYS 20 Cb 0.59 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1wfd h LYS 20 CO 0.03 0.29 -0.20 0.00 -3.45 0.00 0.00 179.45 176.13 1wfd h ARG 21 N 0.46 -0.53 -0.83 1.90 2.47 -0.18 -2.71 114.38 114.96 1wfd h ARG 21 Ca 0.22 0.04 0.14 0.00 -1.26 0.00 0.00 59.98 59.12 1wfd h ARG 21 Cb 0.15 0.12 -0.15 0.00 -1.65 0.00 0.00 29.97 28.45 1wfd h ARG 21 CO -0.17 -0.26 -0.32 0.00 0.56 0.00 0.00 179.97 179.78 1wfd h ALA 22 N -0.24 0.21 -0.63 0.04 0.00 -0.48 0.87 119.26 119.04 1wfd h ALA 22 Ca -0.06 0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1wfd h ALA 22 Cb 0.52 0.83 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 1wfd h ALA 22 CO 0.09 -0.57 0.01 0.28 0.00 0.00 0.00 179.25 179.06 1wfd h VAL 23 N -0.05 0.48 0.67 0.00 2.07 -1.07 0.43 116.25 118.78 1wfd h VAL 23 Ca 0.33 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 1wfd h VAL 23 Cb 0.59 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1wfd h VAL 23 CO -0.86 0.02 -0.39 -0.33 0.02 0.00 0.00 177.57 176.03 1wfd h GLU 24 N 0.12 -0.95 -0.86 1.57 4.39 0.96 -0.34 114.58 119.48 1wfd h GLU 24 Ca 0.33 0.06 0.22 0.00 0.34 0.00 0.00 59.36 60.32 1wfd h GLU 24 Cb 0.54 0.22 -0.14 0.00 -0.10 0.00 0.00 28.75 29.27 1wfd h GLU 24 CO -0.54 -0.63 0.22 -0.07 -1.16 0.00 0.00 179.01 176.83 1wfd h LEU 25 N -0.98 -0.01 -1.22 1.33 3.38 -0.10 1.58 115.31 119.28 1wfd h LEU 25 Ca -0.09 0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1wfd h LEU 25 Cb 0.78 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1wfd h LEU 25 CO 0.10 -0.14 0.55 -0.78 0.09 0.00 0.00 178.44 178.26 1wfd h ASP 26 N 0.22 0.84 1.30 -0.43 3.58 0.23 0.52 116.42 122.67 1wfd h ASP 26 Ca 0.53 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.89 1wfd h ASP 26 Cb 1.03 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 1wfd h ASP 26 CO -0.64 0.55 -0.43 0.00 -2.88 0.00 0.00 179.24 175.84 1wfd h ALA 27 N 1.54 0.78 -0.01 -0.78 0.00 0.36 -2.79 119.26 118.37 1wfd h ALA 27 Ca 0.35 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wfd h ALA 27 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wfd h ALA 27 CO -0.12 0.54 -0.02 0.39 0.00 0.00 0.00 179.25 180.04 1wfd n GLU 28 N -3.30 1.22 -1.00 0.00 -0.58 0.25 -4.87 120.64 112.37 1wfd n GLU 28 Ca 0.01 -0.42 0.00 0.00 -0.42 0.00 0.00 57.16 56.33 1wfd n GLU 28 Cb 0.65 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 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 -0.52 -0.09 -3.59 1.62 3.41 0.16 -4.91 113.62 109.70 1wfd n SER 29 Ca 0.21 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.41 1wfd n SER 29 Cb 0.23 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.03 3.70 -0.35 4.33 1.74 0.15 -4.67 116.66 119.53 1wfd n ARG 30 Ca 0.00 -2.93 -0.03 0.00 -0.77 0.00 0.00 57.85 54.12 1wfd n ARG 30 Cb 0.00 -2.91 0.10 0.00 -1.02 0.00 0.00 32.46 28.63 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 5.32 1.25 0.00 -1.55 0.05 -1.87 0.38 116.97 120.54 1wfd h TYR 31 Ca 0.64 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.42 1wfd h TYR 31 Cb 0.46 -0.41 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1wfd h TYR 31 CO 1.56 0.83 0.21 0.37 -1.05 0.00 0.00 178.16 180.09 1wfd h GLN 32 N 1.30 0.00 0.00 4.88 -0.00 -1.95 0.82 115.11 120.16 1wfd h GLN 32 Ca 0.33 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.70 1wfd h GLN 32 Cb -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.39 1wfd h GLN 32 CO -0.06 0.00 -2.08 1.04 0.00 0.00 0.00 178.83 177.73 1wfd n GLN 33 N -2.89 0.77 0.28 1.69 6.02 -0.28 -4.30 117.38 118.67 1wfd n GLN 33 Ca -0.02 0.08 0.18 0.00 -0.01 0.00 0.00 57.00 57.22 1wfd n GLN 33 Cb 0.27 -1.39 0.72 0.00 1.02 0.00 0.00 30.24 30.86 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 1.00 0.30 -1.58 0.00 0.91 -2.31 119.26 117.79 1wfd h ALA 34 Ca -0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1wfd h ALA 34 Cb 1.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1wfd h ALA 34 CO -0.04 0.01 -0.14 1.25 0.00 0.00 0.00 179.25 180.33 1wfd h LEU 35 N 0.00 -0.34 -0.48 0.00 7.12 0.41 -0.13 115.31 121.89 1wfd h LEU 35 Ca -0.00 0.01 0.10 0.00 0.13 0.00 0.00 57.88 58.12 1wfd h LEU 35 Cb 0.48 0.09 -0.09 0.00 -0.53 0.00 0.00 40.66 40.61 1wfd h LEU 35 CO 0.00 -0.13 -0.10 -0.37 -0.13 0.00 0.00 178.44 177.72 1wfd h VAL 36 N -0.62 0.54 0.07 1.05 -1.51 -1.73 0.29 116.25 114.33 1wfd h VAL 36 Ca -0.04 -0.01 0.02 0.00 -1.23 0.00 0.00 66.70 65.44 1wfd h VAL 36 Cb 0.31 0.52 -0.05 0.00 -2.13 0.00 0.00 31.29 29.93 1wfd h VAL 36 CO 0.07 0.00 -0.51 0.00 -1.23 0.00 0.00 177.57 175.90 1wfd h TYR 38 N -0.71 1.05 -0.25 0.00 0.05 0.15 0.59 116.97 117.85 1wfd h TYR 38 Ca 0.01 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.73 1wfd h TYR 38 Cb 0.74 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 1wfd h TYR 38 CO -0.47 0.20 -0.21 1.96 -1.05 0.00 0.00 178.16 178.59 1wfd h GLN 39 N 0.72 0.58 -0.97 4.88 1.08 0.15 -1.00 115.11 120.56 1wfd h GLN 39 Ca 0.59 -0.29 0.13 0.00 -1.45 0.00 0.00 58.65 57.63 1wfd h GLN 39 Cb 0.95 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.30 1wfd h GLN 39 CO -0.40 0.88 0.59 0.93 -0.95 0.00 0.00 178.83 179.88 1wfd h GLU 40 N 0.29 0.87 0.16 1.46 5.08 0.40 0.19 114.58 123.04 1wfd h GLU 40 Ca 0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1wfd h GLU 40 Cb 0.76 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wfd h GLU 40 CO 0.05 0.58 -0.08 0.78 -1.00 0.00 0.00 179.01 179.34 1wfd h GLY 41 N 0.90 -0.22 -0.15 -3.84 0.00 -1.04 -2.20 103.07 96.52 1wfd h GLY 41 Ca 0.50 0.08 0.10 0.00 0.00 0.00 0.00 47.33 48.01 1wfd h GLY 41 CO -0.29 -0.08 -0.19 -2.22 0.00 0.00 0.00 176.54 173.75 1wfd h ILE 42 N -0.82 0.37 -0.82 2.60 2.04 -0.73 1.39 117.51 121.54 1wfd h ILE 42 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1wfd h ILE 42 Cb 0.53 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 1wfd h ILE 42 CO 0.04 0.00 0.49 0.44 0.00 0.00 0.00 178.15 179.12 1wfd h ASP 43 N -0.07 0.75 -0.15 1.72 5.19 -0.70 0.68 116.42 123.84 1wfd h ASP 43 Ca 0.25 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 1wfd h ASP 43 Cb 0.45 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 1wfd h ASP 43 CO -0.57 0.47 -0.01 0.24 -3.12 0.00 0.00 179.24 176.24 1wfd h MET 44 N 0.88 0.28 0.10 3.56 2.86 0.35 -2.96 114.93 120.01 1wfd h MET 44 Ca 0.37 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1wfd h MET 44 Cb 0.23 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1wfd h MET 44 CO -0.20 0.53 -0.05 -0.07 1.06 0.00 0.00 176.91 178.18 1wfd h LEU 45 N 0.01 -0.11 -0.97 1.22 3.38 0.23 -1.62 115.31 117.44 1wfd h LEU 45 Ca 0.04 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.11 1wfd h LEU 45 Cb 0.41 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.04 1wfd h LEU 45 CO 0.01 -0.04 -0.43 0.18 0.09 0.00 0.00 178.44 178.24 1wfd n LEU 46 N -5.13 -0.74 -0.34 1.67 4.77 0.23 0.19 117.00 117.66 1wfd n LEU 46 Ca -0.08 1.70 -0.01 0.00 -0.03 0.00 0.00 56.01 57.58 1wfd n LEU 46 Cb 0.10 -0.34 0.15 0.00 -2.33 0.00 0.00 43.42 40.99 1wfd n LEU 46 CO 0.34 -1.48 1.28 1.56 -1.33 0.00 0.00 177.39 177.75 1wfd h GLN 47 N 0.00 1.24 0.36 3.23 4.20 -1.33 0.69 115.11 123.50 1wfd h GLN 47 Ca 0.28 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1wfd h GLN 47 Cb 0.53 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1wfd h GLN 47 CO -0.95 0.82 -0.17 0.28 -0.67 0.00 0.00 178.83 178.14 1wfd h VAL 48 N 1.27 0.66 -0.13 -0.54 2.07 0.31 -2.27 116.25 117.63 1wfd h VAL 48 Ca 0.34 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.76 1wfd h VAL 48 Cb -0.14 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1wfd h VAL 48 CO -0.07 0.03 -0.17 0.25 0.02 0.00 0.00 177.57 177.62 1wfd h LEU 49 N -0.56 -0.54 -1.44 2.57 6.46 0.16 0.12 115.31 122.08 1wfd h LEU 49 Ca -0.05 0.10 0.36 0.00 -0.12 0.00 0.00 57.88 58.17 1wfd h LEU 49 Cb 0.42 0.25 -0.11 0.00 -0.73 0.00 0.00 40.66 40.49 1wfd h LEU 49 CO 0.08 -0.22 0.79 0.11 -0.62 0.00 0.00 178.44 178.57 1wfd h LYS 50 N -0.22 0.20 -1.24 1.25 1.79 -0.72 0.91 116.57 118.54 1wfd h LYS 50 Ca 0.10 -0.01 -0.66 0.00 -2.18 0.00 0.00 60.65 57.90 1wfd h LYS 50 Cb 0.36 -0.04 -0.34 0.00 -1.58 0.00 0.00 32.23 30.63 1wfd h LYS 50 CO -0.26 0.13 0.27 0.41 -1.08 0.00 0.00 179.45 178.92 1wfd n GLY 51 N -1.52 5.95 2.84 3.86 0.00 0.35 -4.92 105.19 111.75 1wfd n GLY 51 Ca 0.32 -2.51 -0.27 0.00 0.00 0.00 0.00 46.02 43.57 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 -4.94 0.84 -0.06 2.61 2.01 0.32 -4.95 115.64 111.46 1wfd s THR 52 Ca 0.56 -0.37 0.08 0.00 0.31 0.00 0.00 61.69 62.28 1wfd s THR 52 Cb 0.45 -1.02 -0.24 0.00 0.01 0.00 0.00 72.50 71.70 1wfd s THR 52 CO -0.12 0.17 0.58 0.29 -0.69 0.00 0.00 174.62 174.85 1wfd n LYS 53 N 4.98 0.66 -1.51 4.92 4.76 -1.26 -4.76 118.16 125.94 1wfd n LYS 53 Ca -0.10 0.29 -0.32 0.00 -2.87 0.00 0.00 58.31 55.30 1wfd n LYS 53 Cb 0.49 -1.77 -0.15 0.00 -1.84 0.00 0.00 35.03 31.76 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 -3.14 0.19 -0.29 1.97 4.71 -1.26 -4.72 120.64 118.10 1wfd n GLU 54 Ca -0.21 -0.07 0.11 0.00 -0.01 0.00 0.00 57.16 56.98 1wfd n GLU 54 Cb 1.05 -1.82 0.24 0.00 -1.01 0.00 0.00 31.44 29.91 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 12.86 -0.24 0.37 1.62 4.64 -2.00 0.21 113.55 131.02 1wfd h SER 55 Ca -0.05 0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1wfd h SER 55 Cb 1.23 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1wfd h SER 55 CO 1.39 -0.21 -0.18 0.28 -0.87 0.00 0.00 176.83 177.24 1wfd h SER 56 N 0.12 -0.42 -0.03 4.97 0.02 -2.00 -2.57 113.55 113.64 1wfd h SER 56 Ca 0.51 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.44 1wfd h SER 56 Cb 1.01 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1wfd h SER 56 CO -0.72 -0.23 -0.18 0.11 -1.14 0.00 0.00 176.83 174.67 1wfd h LYS 57 N -0.58 -0.19 -0.80 3.45 1.57 -1.10 0.37 116.57 119.30 1wfd h LYS 57 Ca -0.05 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.02 1wfd h LYS 57 Cb 0.43 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.64 1wfd h LYS 57 CO 0.08 -0.13 0.21 0.54 -0.57 0.00 0.00 179.45 179.58 1wfd n ARG 58 N -3.48 -0.06 0.37 3.15 1.74 0.45 0.20 116.66 119.03 1wfd n ARG 58 Ca -0.02 1.16 -0.18 0.00 -0.77 0.00 0.00 57.85 58.04 1wfd n ARG 58 Cb 0.12 -1.94 -0.09 0.00 -1.02 0.00 0.00 32.46 29.53 1wfd n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wfd h VAL 60 N -0.94 1.09 0.37 0.00 2.07 0.38 -0.63 116.25 118.59 1wfd h VAL 60 Ca -0.09 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1wfd h VAL 60 Cb 0.71 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1wfd h VAL 60 CO 0.15 0.14 -0.29 -0.07 0.02 0.00 0.00 177.57 177.52 1wfd h LEU 61 N 0.77 -0.77 -1.84 2.57 3.38 0.25 0.54 115.31 120.22 1wfd h LEU 61 Ca 0.25 0.05 0.36 0.00 0.09 0.00 0.00 57.88 58.63 1wfd h LEU 61 Cb 0.01 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1wfd h LEU 61 CO -0.10 -0.41 0.87 0.03 0.09 0.00 0.00 178.44 178.93 1wfd h ARG 62 N -0.64 0.08 0.02 1.13 3.08 0.49 1.71 114.38 120.24 1wfd h ARG 62 Ca -0.05 -0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.79 1wfd h ARG 62 Cb 0.54 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1wfd h ARG 62 CO 0.01 0.05 -0.93 1.15 -1.07 0.00 0.00 179.97 179.18 1wfd h THR 63 N 0.08 1.54 0.10 2.04 2.02 -0.01 -2.68 112.91 115.99 1wfd h THR 63 Ca 0.63 -2.82 -0.00 0.00 0.77 0.00 0.00 66.41 64.99 1wfd h THR 63 Cb 2.30 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 71.29 1wfd h THR 63 CO -0.09 0.82 -0.05 0.11 0.37 0.00 0.00 175.52 176.68 1wfd h LYS 64 N 0.07 -0.13 -0.23 6.66 1.57 0.74 -1.68 116.57 123.57 1wfd h LYS 64 Ca -0.04 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1wfd h LYS 64 Cb 1.59 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.88 1wfd h LYS 64 CO 0.14 0.03 -0.30 0.82 -0.57 0.00 0.00 179.45 179.57 1wfd h ILE 65 N -1.02 0.00 -0.51 1.86 2.04 0.12 0.69 117.51 120.69 1wfd h ILE 65 Ca -0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.94 1wfd h ILE 65 Cb 0.22 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.22 1wfd h ILE 65 CO 0.02 0.00 0.04 -1.28 0.00 0.00 0.00 178.15 176.93 1wfd h SER 66 N -0.20 -0.14 -0.29 1.72 0.87 -1.64 0.56 113.55 114.43 1wfd h SER 66 Ca 0.04 0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.79 1wfd h SER 66 Cb 0.31 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1wfd h SER 66 CO -0.33 -0.04 0.27 1.23 -0.53 0.00 0.00 176.83 177.43 1wfd h GLY 67 N 0.16 0.00 0.05 5.77 0.00 -0.10 0.47 103.07 109.42 1wfd h GLY 67 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1wfd h GLY 67 CO -0.39 0.00 -0.76 -1.72 0.00 0.00 0.00 176.54 173.67 1wfd n TYR 68 N -3.96 0.00 -0.04 5.60 4.01 0.22 -4.06 117.16 118.93 1wfd n TYR 68 Ca 0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.58 1wfd n TYR 68 Cb 0.42 -0.06 -0.13 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.50 0.13 -0.21 -0.72 2.86 0.46 -3.07 114.93 114.87 1wfd h MET 69 Ca 0.00 -0.22 0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1wfd h MET 69 Cb 0.55 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 1wfd h MET 69 CO 0.00 1.10 -0.01 0.22 1.06 0.00 0.00 176.91 179.28 1wfd h ASP 70 N -0.64 -0.11 -0.08 1.22 3.58 -1.33 0.13 116.42 119.19 1wfd h ASP 70 Ca -0.25 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.28 1wfd h ASP 70 Cb 1.47 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 42.59 1wfd h ASP 70 CO -0.02 -0.03 -0.11 -0.09 -2.88 0.00 0.00 179.24 176.11 1wfd h ARG 71 N 0.05 -0.14 -0.32 0.28 9.65 -1.72 0.67 114.38 122.85 1wfd h ARG 71 Ca 0.10 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.06 1wfd h ARG 71 Cb 0.13 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.68 1wfd h ARG 71 CO -0.18 -0.09 -0.11 0.00 2.80 0.00 0.00 179.97 182.39 1wfd h ALA 72 N 0.90 0.18 0.14 2.80 0.00 -1.33 -0.97 119.26 120.98 1wfd h ALA 72 Ca 0.07 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wfd h ALA 72 Cb 0.24 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1wfd h ALA 72 CO -0.16 -0.49 -0.16 0.93 0.00 0.00 0.00 179.25 179.37 1wfd h GLU 73 N -0.04 -0.30 -1.15 0.00 5.08 -0.18 0.64 114.58 118.64 1wfd h GLU 73 Ca 0.16 0.02 0.43 0.00 -1.00 0.00 0.00 59.36 58.97 1wfd h GLU 73 Cb 0.28 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.45 1wfd h GLU 73 CO -0.35 -0.20 0.70 0.09 -1.00 0.00 0.00 179.01 178.25 1wfd n ASN 74 N -3.30 0.25 0.15 1.42 3.02 0.18 0.13 115.26 117.10 1wfd n ASN 74 Ca -0.04 1.42 -0.07 0.00 -0.03 0.00 0.00 54.58 55.87 1wfd n ASN 74 Cb 0.14 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.59 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 -0.67 2.41 2.04 -0.04 -2.11 117.51 119.14 1wfd h ILE 75 Ca 0.82 -0.43 0.14 0.00 1.00 0.00 0.00 64.86 66.39 1wfd h ILE 75 Cb 2.44 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 38.39 1wfd h ILE 75 CO -0.56 0.00 -0.14 0.11 0.00 0.00 0.00 178.15 177.56 1wfd h LYS 76 N -0.86 0.01 -0.36 2.37 1.57 0.47 1.99 116.57 121.77 1wfd h LYS 76 Ca -0.04 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1wfd h LYS 76 Cb 0.33 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1wfd h LYS 76 CO 0.07 0.01 0.25 0.87 -0.57 0.00 0.00 179.45 180.09 1wfd h LYS 77 N 0.01 0.03 0.00 3.15 6.56 0.96 1.66 116.57 128.95 1wfd h LYS 77 Ca 0.33 -0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.83 1wfd h LYS 77 Cb 0.51 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.15 1wfd h LYS 77 CO -0.68 0.02 -1.07 -0.92 -2.06 0.00 0.00 179.45 174.74 1wfd h TYR 78 N 0.03 0.00 0.06 -1.35 3.20 0.30 -3.26 116.97 115.96 1wfd h TYR 78 Ca 0.17 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.87 1wfd h TYR 78 Cb 0.63 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 1wfd h TYR 78 CO -0.00 0.33 -0.86 -0.07 -1.64 0.00 0.00 178.16 175.92 1wfd h LEU 79 N 0.00 0.20 -1.61 2.82 3.38 0.55 -2.55 115.31 118.10 1wfd h LEU 79 Ca -0.08 -0.84 0.18 0.00 0.09 0.00 0.00 57.88 57.23 1wfd h LEU 79 Cb 1.32 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 1wfd h LEU 79 CO 0.03 1.37 0.54 0.44 0.09 0.00 0.00 178.44 180.91 1wfd h ASP 80 N -0.67 0.34 0.25 -0.43 3.32 0.21 1.57 116.42 121.02 1wfd h ASP 80 Ca -0.20 0.03 -0.29 0.00 0.02 0.00 0.00 57.03 56.59 1wfd h ASP 80 Cb 1.42 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 40.95 1wfd h ASP 80 CO -0.00 0.16 -1.21 0.06 -1.72 0.00 0.00 179.24 176.53 1wfd h GLN 81 N 0.36 0.53 -0.27 3.56 3.07 -1.64 -0.78 115.11 119.94 1wfd h GLN 81 Ca 0.40 -0.72 -0.16 0.00 0.09 0.00 0.00 58.65 58.27 1wfd h GLN 81 Cb 1.04 0.24 -0.00 0.00 0.08 0.00 0.00 27.48 28.84 1wfd h GLN 81 CO -0.12 1.31 -0.44 0.93 0.09 0.00 0.00 178.83 180.60 1wfd h GLU 82 N 0.23 0.77 -0.29 0.06 5.08 -0.27 -1.23 114.58 118.93 1wfd h GLU 82 Ca -0.17 -0.47 -0.16 0.00 -1.00 0.00 0.00 59.36 57.56 1wfd h GLU 82 Cb 1.89 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.18 1wfd h GLU 82 CO 0.22 1.10 -0.45 1.57 -1.00 0.00 0.00 179.01 180.46 1wfd h LYS 83 N 0.52 0.75 0.00 2.33 2.10 0.20 -3.33 116.57 119.14 1wfd h LYS 83 Ca 0.02 -0.42 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1wfd h LYS 83 Cb 1.04 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1wfd h LYS 83 CO 0.10 1.04 0.00 0.39 -2.00 0.00 0.00 179.45 178.98 1wfd n GLU 84 N -4.02 0.00 -2.37 0.07 1.02 -0.30 -4.73 120.64 110.31 1wfd n GLU 84 Ca -0.03 0.35 -0.02 0.00 -0.02 0.00 0.00 57.16 57.44 1wfd n GLU 84 Cb 0.56 -1.26 -0.00 0.00 -0.02 0.00 0.00 31.44 30.72 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 -1.54 -1.50 -4.42 1.62 2.03 -0.47 -0.09 116.55 112.17 1wfd n ASP 85 Ca 0.00 0.41 -0.36 0.00 0.52 0.00 0.00 54.79 55.35 1wfd n ASP 85 Cb 0.00 -1.43 -0.09 0.00 -0.72 0.00 0.00 41.12 38.88 1wfd n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wfd n GLY 86 N -0.52 -0.25 0.00 0.27 0.00 -1.26 -4.87 105.19 98.56 1wfd n GLY 86 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1wfd n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wfd n LYS 87 N -4.35 0.99 0.00 1.61 2.85 0.87 -4.73 118.16 115.39 1wfd n LYS 87 Ca -0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 1wfd n LYS 87 Cb 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.97 1wfd n LYS 87 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1wfd n SER 88 N -0.43 0.00 -3.56 -5.58 2.88 -1.26 -4.69 113.62 100.98 1wfd n SER 88 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wfd n SER 88 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wfd n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfd n GLY 89 N 0.00 -2.00 3.72 0.46 0.00 -1.26 -4.94 105.19 101.17 1wfd n GLY 89 Ca 0.00 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 4.48 0.22 1.61 0.04 -1.26 -4.97 135.00 135.12 1wfd s PRO 90 Ca 0.00 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 62.46 1wfd s PRO 90 Cb 0.00 -3.34 -0.11 0.00 0.04 0.00 0.00 34.50 31.09 1wfd s PRO 90 CO 0.00 -0.15 1.63 -1.54 0.04 0.00 0.00 177.00 176.98 1wfd s SER 91 N 0.74 6.44 -0.30 6.66 1.04 -1.26 -4.93 113.70 122.09 1wfd s SER 91 Ca 0.56 2.82 0.04 0.00 0.48 0.00 0.00 55.95 59.84 1wfd s SER 91 Cb -0.29 -2.61 0.17 0.00 0.10 0.00 0.00 66.02 63.40 1wfd s SER 91 CO 0.31 -0.91 0.48 -0.94 0.98 0.00 0.00 173.24 173.16 1wfd s SER 92 N 0.94 -0.31 0.00 7.02 1.04 -1.26 -5.18 113.70 115.95 1wfd s SER 92 Ca 0.70 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1wfd s SER 92 Cb -0.47 1.42 0.00 0.00 0.10 0.00 0.00 66.02 67.07 1wfd s SER 92 CO 0.37 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.87