#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 1.82 -4.53 1.61 2.88 -1.26 -4.92 113.62 109.22 1wfd n SER 2 Ca 0.00 0.62 -0.60 0.00 -1.33 0.00 0.00 58.87 57.56 1wfd n SER 2 Cb 0.00 -0.87 -0.08 0.00 -0.75 0.00 0.00 64.21 62.51 1wfd n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfd n SER 3 N -4.61 0.19 0.00 -3.46 7.64 -1.26 -4.94 113.62 107.19 1wfd n SER 3 Ca -0.08 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1wfd n SER 3 Cb 0.29 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1wfd n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfd n GLY 4 N 1.80 1.87 0.31 0.23 0.00 -1.26 -4.97 105.19 103.16 1wfd n GLY 4 Ca 0.21 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.77 -2.79 1.61 7.64 -1.26 -4.90 113.62 113.15 1wfd n SER 5 Ca 0.00 1.56 -0.04 0.00 1.01 0.00 0.00 58.87 61.40 1wfd n SER 5 Cb 0.00 -0.30 0.01 0.00 -1.01 0.00 0.00 64.21 62.90 1wfd n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfd n SER 6 N -4.64 -7.99 0.00 6.43 2.88 -1.26 -4.89 113.62 104.15 1wfd n SER 6 Ca 0.01 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1wfd n SER 6 Cb 0.19 -5.33 0.00 0.00 -0.75 0.00 0.00 64.21 58.32 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 0.23 0.77 3.38 0.46 0.00 -1.26 -4.99 105.19 103.77 1wfd n GLY 7 Ca 0.06 -0.64 -0.55 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 0.63 -2.59 1.61 10.64 -1.26 -4.69 117.38 121.71 1wfd n GLN 8 Ca 0.00 0.18 -0.05 0.00 -1.83 0.00 0.00 57.00 55.30 1wfd n GLN 8 Cb 0.00 -2.04 0.06 0.00 -0.86 0.00 0.00 30.24 27.40 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 8.59 -1.43 -3.47 2.61 8.00 -1.26 -5.09 116.55 124.50 1wfd n ASP 9 Ca 0.46 -2.02 -0.25 0.00 0.71 0.00 0.00 54.79 53.69 1wfd n ASP 9 Cb 0.11 0.90 -0.12 0.00 -0.02 0.00 0.00 41.12 41.99 1wfd n ASP 9 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wfd s SER 10 N -0.72 2.77 -0.06 -2.24 1.04 -1.26 -5.01 113.70 108.22 1wfd s SER 10 Ca 0.12 -1.38 -0.05 0.00 0.48 0.00 0.00 55.95 55.11 1wfd s SER 10 Cb 0.25 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1wfd s SER 10 CO -0.06 -0.38 -0.10 -0.67 0.98 0.00 0.00 173.24 173.01 1wfd n ASP 11 N 4.92 0.62 0.06 7.02 -0.08 -1.26 -4.38 116.55 123.45 1wfd n ASP 11 Ca 0.00 0.18 0.21 0.00 -1.51 0.00 0.00 54.79 53.68 1wfd n ASP 11 Cb 0.42 -0.59 0.71 0.00 2.34 0.00 0.00 41.12 44.00 1wfd n ASP 11 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1wfd h SER 12 N -0.33 0.00 -0.12 1.67 0.02 -1.95 -1.05 113.55 111.80 1wfd h SER 12 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1wfd h SER 12 Cb 0.28 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 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 0.19 -1.10 -2.27 2.02 -1.97 0.17 112.91 109.96 1wfd h THR 13 Ca 0.23 0.00 0.39 0.00 0.77 0.00 0.00 66.41 67.80 1wfd h THR 13 Cb 1.31 0.19 -0.15 0.00 -1.74 0.00 0.00 68.15 67.75 1wfd h THR 13 CO -0.00 0.00 0.64 0.00 0.37 0.00 0.00 175.52 176.53 1wfd h ALA 14 N 0.20 2.27 -0.10 6.16 0.00 -1.40 1.35 119.26 127.75 1wfd h ALA 14 Ca 0.08 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1wfd h ALA 14 Cb 0.61 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1wfd h ALA 14 CO -0.38 -0.94 -0.04 0.00 0.00 0.00 0.00 179.25 177.89 1wfd h ALA 15 N 1.83 0.14 -0.97 0.00 0.00 -0.84 0.43 119.26 119.83 1wfd h ALA 15 Ca 0.80 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.59 1wfd h ALA 15 Cb 2.14 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.81 1wfd h ALA 15 CO -0.60 -0.11 0.60 0.28 0.00 0.00 0.00 179.25 179.42 1wfd h VAL 16 N -0.15 0.90 0.40 0.00 2.07 0.30 1.36 116.25 121.13 1wfd h VAL 16 Ca 0.02 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1wfd h VAL 16 Cb 0.47 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1wfd h VAL 16 CO 0.01 0.17 -0.19 0.00 0.02 0.00 0.00 177.57 177.58 1wfd h ALA 17 N 1.53 -0.56 -1.01 1.67 0.00 -0.34 0.55 119.26 121.10 1wfd h ALA 17 Ca 0.49 -0.12 0.25 0.00 0.00 0.00 0.00 54.91 55.52 1wfd h ALA 17 Cb 0.49 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1wfd h ALA 17 CO -0.27 -0.52 0.65 -0.24 0.00 0.00 0.00 179.25 178.87 1wfd h VAL 18 N -1.10 0.57 -0.31 0.00 3.04 0.20 0.72 116.25 119.38 1wfd h VAL 18 Ca -0.06 -0.14 -0.16 0.00 -1.01 0.00 0.00 66.70 65.33 1wfd h VAL 18 Cb 0.41 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 29.81 1wfd h VAL 18 CO 0.09 0.08 -0.42 -0.07 -1.01 0.00 0.00 177.57 176.24 1wfd h LEU 19 N 0.42 0.90 0.14 3.16 3.38 0.18 -0.64 115.31 122.86 1wfd h LEU 19 Ca 0.56 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1wfd h LEU 19 Cb 1.39 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1wfd h LEU 19 CO -0.27 1.23 -0.07 0.50 0.09 0.00 0.00 178.44 179.92 1wfd h LYS 20 N 0.61 -0.18 -0.24 1.13 1.63 0.26 -2.30 116.57 117.47 1wfd h LYS 20 Ca 0.04 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 1wfd h LYS 20 Cb 1.02 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.66 1wfd h LYS 20 CO 0.10 -0.03 0.04 0.00 -3.45 0.00 0.00 179.45 176.11 1wfd h ARG 21 N -0.30 0.13 -0.46 1.90 2.47 -0.26 -2.72 114.38 115.15 1wfd h ARG 21 Ca -0.02 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.74 1wfd h ARG 21 Cb 0.24 -0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.44 1wfd h ARG 21 CO 0.03 0.09 -0.54 0.00 0.56 0.00 0.00 179.97 180.11 1wfd h ALA 22 N 1.18 -0.74 -0.96 0.04 0.00 -0.95 0.73 119.26 118.56 1wfd h ALA 22 Ca 0.11 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1wfd h ALA 22 Cb 0.11 1.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 1wfd h ALA 22 CO -0.15 -1.02 -0.45 0.28 0.00 0.00 0.00 179.25 177.92 1wfd h VAL 23 N -0.34 0.01 -0.26 0.00 2.07 -1.12 0.73 116.25 117.34 1wfd h VAL 23 Ca 0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.66 1wfd h VAL 23 Cb 0.55 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 1wfd h VAL 23 CO -0.61 0.00 -0.41 -0.33 0.02 0.00 0.00 177.57 176.24 1wfd h GLU 24 N -0.02 -0.38 -0.92 1.57 5.08 -0.70 0.26 114.58 119.47 1wfd h GLU 24 Ca 0.28 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.79 1wfd h GLU 24 Cb 0.54 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.80 1wfd h GLU 24 CO -0.95 -0.25 0.55 -0.07 -1.00 0.00 0.00 179.01 177.29 1wfd h LEU 25 N -0.40 0.79 -1.87 1.33 3.38 0.12 0.90 115.31 119.56 1wfd h LEU 25 Ca 0.11 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1wfd h LEU 25 Cb 0.59 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1wfd h LEU 25 CO -0.47 0.42 -0.01 -0.78 0.09 0.00 0.00 178.44 177.68 1wfd h ASP 26 N 0.87 0.06 1.10 -0.43 3.58 0.30 0.29 116.42 122.19 1wfd h ASP 26 Ca 0.46 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.82 1wfd h ASP 26 Cb 0.48 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1wfd h ASP 26 CO -0.28 0.08 -0.95 0.00 -2.88 0.00 0.00 179.24 175.22 1wfd h ALA 27 N 1.93 0.65 -0.01 -0.78 0.00 0.31 -3.22 119.26 118.14 1wfd h ALA 27 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wfd h ALA 27 Cb 0.06 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wfd h ALA 27 CO 0.00 0.47 -0.02 0.39 0.00 0.00 0.00 179.25 180.09 1wfd n GLU 28 N -2.91 1.19 -0.96 0.00 -0.58 0.26 -4.87 120.64 112.77 1wfd n GLU 28 Ca -0.03 -0.42 0.00 0.00 -0.42 0.00 0.00 57.16 56.29 1wfd n GLU 28 Cb 0.69 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.07 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 -0.54 -0.39 -3.17 1.62 3.41 -0.09 -4.90 113.62 109.57 1wfd n SER 29 Ca 0.20 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.46 1wfd n SER 29 Cb 0.24 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.08 3.73 -0.26 4.33 1.74 0.80 -4.66 116.66 120.26 1wfd n ARG 30 Ca 0.00 -2.49 0.03 0.00 -0.77 0.00 0.00 57.85 54.62 1wfd n ARG 30 Cb 0.00 -2.61 0.16 0.00 -1.02 0.00 0.00 32.46 28.99 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 4.52 0.62 0.00 -1.55 0.05 -1.89 0.54 116.97 119.27 1wfd h TYR 31 Ca 0.72 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.53 1wfd h TYR 31 Cb 0.45 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1wfd h TYR 31 CO 1.76 0.18 0.34 0.37 -1.05 0.00 0.00 178.16 179.76 1wfd h GLN 32 N 0.57 0.00 0.00 4.88 -0.00 -1.94 0.59 115.11 119.20 1wfd h GLN 32 Ca 0.38 0.00 -0.38 0.00 -0.00 0.00 0.00 58.65 58.65 1wfd h GLN 32 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.89 1wfd h GLN 32 CO -0.31 0.00 -2.30 1.04 0.00 0.00 0.00 178.83 177.26 1wfd n GLN 33 N -2.86 0.51 0.01 1.69 6.02 0.13 -4.03 117.38 118.84 1wfd n GLN 33 Ca -0.02 0.20 0.14 0.00 -0.01 0.00 0.00 57.00 57.31 1wfd n GLN 33 Cb 0.38 -1.36 0.60 0.00 1.02 0.00 0.00 30.24 30.89 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 -0.64 2.20 0.46 -1.58 0.00 0.73 0.10 119.26 120.53 1wfd h ALA 34 Ca -0.57 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1wfd h ALA 34 Cb 1.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1wfd h ALA 34 CO -0.29 -0.32 -0.22 1.25 0.00 0.00 0.00 179.25 179.66 1wfd h LEU 35 N 0.17 -0.52 -0.19 0.00 7.12 -0.06 0.22 115.31 122.05 1wfd h LEU 35 Ca 0.22 -0.09 0.05 0.00 0.13 0.00 0.00 57.88 58.19 1wfd h LEU 35 Cb 0.63 0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 40.83 1wfd h LEU 35 CO -0.03 -0.15 -0.30 0.58 -0.13 0.00 0.00 178.44 178.40 1wfd h VAL 36 N -0.95 0.30 0.04 1.05 2.07 -1.47 0.50 116.25 117.79 1wfd h VAL 36 Ca -0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1wfd h VAL 36 Cb 0.58 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1wfd h VAL 36 CO 0.10 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.37 1wfd h TYR 38 N -0.50 0.28 -0.21 0.00 0.05 0.47 0.57 116.97 117.62 1wfd h TYR 38 Ca 0.05 0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.89 1wfd h TYR 38 Cb 0.57 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 1wfd h TYR 38 CO -0.33 -0.10 0.07 1.96 -1.05 0.00 0.00 178.16 178.71 1wfd h GLN 39 N 0.26 0.17 -0.40 4.88 1.08 0.12 0.10 115.11 121.32 1wfd h GLN 39 Ca 0.43 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.70 1wfd h GLN 39 Cb 0.75 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 28.08 1wfd h GLN 39 CO -0.53 0.11 -0.01 0.93 -0.95 0.00 0.00 178.83 178.38 1wfd h GLU 40 N 0.17 0.09 0.25 1.46 5.08 0.10 0.23 114.58 121.97 1wfd h GLU 40 Ca 0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1wfd h GLU 40 Cb 0.05 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1wfd h GLU 40 CO -0.09 0.06 -0.12 0.78 -1.00 0.00 0.00 179.01 178.64 1wfd h GLY 41 N 0.09 -0.36 0.16 -3.84 0.00 -0.72 -0.72 103.07 97.68 1wfd h GLY 41 Ca 0.20 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.70 1wfd h GLY 41 CO -0.34 -0.13 -0.33 -2.22 0.00 0.00 0.00 176.54 173.52 1wfd h ILE 42 N -0.38 0.28 -0.53 2.60 2.04 -0.29 0.67 117.51 121.90 1wfd h ILE 42 Ca -0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.93 1wfd h ILE 42 Cb 0.29 0.28 -0.10 0.00 -0.74 0.00 0.00 36.82 36.55 1wfd h ILE 42 CO 0.06 0.00 -0.11 -0.78 0.00 0.00 0.00 178.15 177.32 1wfd h ASP 43 N -0.41 -0.44 0.33 1.72 1.82 -0.43 0.68 116.42 119.69 1wfd h ASP 43 Ca 0.09 0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.87 1wfd h ASP 43 Cb 0.55 0.31 -0.00 0.00 0.68 0.00 0.00 39.33 40.87 1wfd h ASP 43 CO -0.35 -0.16 -0.20 0.24 -1.61 0.00 0.00 179.24 177.16 1wfd h MET 44 N 0.02 -0.49 -0.14 0.28 2.86 0.27 -2.54 114.93 115.20 1wfd h MET 44 Ca 0.26 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.98 1wfd h MET 44 Cb 0.40 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 1wfd h MET 44 CO -0.53 -0.33 -0.20 -0.07 1.06 0.00 0.00 176.91 176.84 1wfd h LEU 45 N -0.51 -0.63 -0.89 1.22 3.38 0.13 -0.39 115.31 117.63 1wfd h LEU 45 Ca -0.03 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1wfd h LEU 45 Cb 0.42 0.29 -0.11 0.00 0.09 0.00 0.00 40.66 41.35 1wfd h LEU 45 CO 0.04 -0.25 -0.52 0.18 0.09 0.00 0.00 178.44 177.97 1wfd n LEU 46 N -5.34 -0.94 -0.14 1.67 4.77 0.23 0.20 117.00 117.45 1wfd n LEU 46 Ca -0.03 1.67 0.10 0.00 -0.03 0.00 0.00 56.01 57.73 1wfd n LEU 46 Cb 0.26 -0.25 0.44 0.00 -2.33 0.00 0.00 43.42 41.53 1wfd n LEU 46 CO 0.20 -1.33 1.20 1.56 -1.33 0.00 0.00 177.39 177.69 1wfd h GLN 47 N 0.00 0.54 0.36 3.23 4.20 -0.99 0.23 115.11 122.67 1wfd h GLN 47 Ca 0.14 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1wfd h GLN 47 Cb 0.36 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1wfd h GLN 47 CO -0.83 0.36 -0.17 0.28 -0.67 0.00 0.00 178.83 177.79 1wfd h VAL 48 N 0.56 0.00 -0.53 -0.54 2.07 0.40 -2.97 116.25 115.24 1wfd h VAL 48 Ca 0.31 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.70 1wfd h VAL 48 Cb 0.48 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.14 1wfd h VAL 48 CO -0.10 0.00 -0.34 0.25 0.02 0.00 0.00 177.57 177.40 1wfd h LEU 49 N -0.71 -1.16 -0.94 2.57 7.12 0.24 0.43 115.31 122.86 1wfd h LEU 49 Ca -0.05 0.22 0.30 0.00 0.13 0.00 0.00 57.88 58.47 1wfd h LEU 49 Cb 0.37 0.56 -0.17 0.00 -0.53 0.00 0.00 40.66 40.89 1wfd h LEU 49 CO 0.08 -0.31 0.15 0.29 -0.13 0.00 0.00 178.44 178.52 1wfd n LYS 50 N -5.43 -0.07 -2.59 1.25 4.01 0.77 0.53 118.16 116.63 1wfd n LYS 50 Ca 0.03 1.37 -0.32 0.00 -0.51 0.00 0.00 58.31 58.88 1wfd n LYS 50 Cb 0.35 -2.26 -0.00 0.00 -0.51 0.00 0.00 35.03 32.61 1wfd n LYS 50 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wfd n GLY 51 N -1.41 5.82 3.07 0.72 0.00 0.14 -4.92 105.19 108.62 1wfd n GLY 51 Ca 0.26 -2.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.23 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 -4.83 3.76 0.28 2.61 2.01 0.19 -4.91 115.64 114.74 1wfd s THR 52 Ca 0.47 -3.36 0.01 0.00 0.31 0.00 0.00 61.69 59.13 1wfd s THR 52 Cb 0.32 -3.42 0.29 0.00 0.01 0.00 0.00 72.50 69.69 1wfd s THR 52 CO -0.20 -0.94 1.67 0.50 -0.69 0.00 0.00 174.62 174.96 1wfd h LYS 53 N 6.56 0.28 -5.29 4.92 1.63 -1.90 -3.37 116.57 119.41 1wfd h LYS 53 Ca 0.04 -0.02 -0.32 0.00 -0.85 0.00 0.00 60.65 59.51 1wfd h LYS 53 Cb 0.89 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.42 1wfd h LYS 53 CO 0.75 0.19 1.28 0.39 -3.45 0.00 0.00 179.45 178.61 1wfd n GLU 54 N -5.14 0.49 -0.33 1.90 4.71 -1.26 -4.73 120.64 116.28 1wfd n GLU 54 Ca 0.20 -0.24 0.18 0.00 -0.01 0.00 0.00 57.16 57.29 1wfd n GLU 54 Cb 0.62 -2.66 0.41 0.00 -1.01 0.00 0.00 31.44 28.80 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 14.51 0.62 0.42 1.62 4.64 -2.02 -0.93 113.55 132.41 1wfd h SER 55 Ca -0.08 0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1wfd h SER 55 Cb 1.18 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1wfd h SER 55 CO 1.25 0.15 -0.20 0.28 -0.87 0.00 0.00 176.83 177.44 1wfd h SER 56 N 0.56 -0.48 -1.00 4.97 0.02 -1.91 -3.24 113.55 112.48 1wfd h SER 56 Ca 0.60 -0.11 0.13 0.00 -0.84 0.00 0.00 61.79 61.57 1wfd h SER 56 Cb 1.22 0.12 -0.15 0.00 0.14 0.00 0.00 62.40 63.74 1wfd h SER 56 CO -0.37 -0.08 -0.46 0.29 -1.14 0.00 0.00 176.83 175.07 1wfd n LYS 57 N -5.19 -0.30 -0.32 3.45 5.02 -0.46 0.10 118.16 120.47 1wfd n LYS 57 Ca -0.10 1.52 0.09 0.00 -2.02 0.00 0.00 58.31 57.81 1wfd n LYS 57 Cb 0.29 -2.25 0.19 0.00 -0.02 0.00 0.00 35.03 33.23 1wfd n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wfd n ARG 58 N -5.39 -0.08 0.07 1.97 1.74 -0.57 0.18 116.66 114.59 1wfd n ARG 58 Ca 0.07 1.37 -0.12 0.00 -0.77 0.00 0.00 57.85 58.40 1wfd n ARG 58 Cb 0.35 -2.11 -0.05 0.00 -1.02 0.00 0.00 32.46 29.63 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 -0.50 0.40 -0.18 0.00 2.07 0.16 -0.87 116.25 117.32 1wfd h VAL 60 Ca 0.05 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1wfd h VAL 60 Cb 0.57 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1wfd h VAL 60 CO -0.25 0.02 -0.24 -0.07 0.02 0.00 0.00 177.57 177.05 1wfd h LEU 61 N -0.88 -0.80 -1.80 2.57 3.38 0.22 1.25 115.31 119.26 1wfd h LEU 61 Ca -0.08 0.11 0.34 0.00 0.09 0.00 0.00 57.88 58.34 1wfd h LEU 61 Cb 0.63 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 1wfd h LEU 61 CO 0.13 -0.17 0.84 0.03 0.09 0.00 0.00 178.44 179.36 1wfd h ARG 62 N -0.16 0.10 0.01 1.13 3.08 0.11 1.65 114.38 120.30 1wfd h ARG 62 Ca 0.03 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.88 1wfd h ARG 62 Cb 0.25 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1wfd h ARG 62 CO -0.26 0.07 -0.88 1.15 -1.07 0.00 0.00 179.97 178.98 1wfd h THR 63 N 0.11 1.56 0.05 2.04 2.02 0.17 -2.81 112.91 116.04 1wfd h THR 63 Ca 0.61 -2.80 -0.00 0.00 0.77 0.00 0.00 66.41 64.99 1wfd h THR 63 Cb 2.17 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 71.13 1wfd h THR 63 CO -0.11 0.81 -0.02 0.11 0.37 0.00 0.00 175.52 176.67 1wfd h LYS 64 N 0.05 -0.06 -0.13 6.66 1.57 1.08 -2.17 116.57 123.58 1wfd h LYS 64 Ca -0.03 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1wfd h LYS 64 Cb 1.53 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.83 1wfd h LYS 64 CO 0.13 0.38 -0.17 0.82 -0.57 0.00 0.00 179.45 180.03 1wfd h ILE 65 N -0.98 0.00 -0.76 1.86 2.04 0.27 0.48 117.51 120.43 1wfd h ILE 65 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 1wfd h ILE 65 Cb 0.47 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.45 1wfd h ILE 65 CO 0.01 0.00 0.28 -1.28 0.00 0.00 0.00 178.15 177.16 1wfd h SER 66 N -0.12 0.22 -0.86 1.72 0.87 -1.66 0.37 113.55 114.08 1wfd h SER 66 Ca 0.02 0.12 0.14 0.00 -1.23 0.00 0.00 61.79 60.84 1wfd h SER 66 Cb 0.19 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.19 1wfd h SER 66 CO -0.19 0.07 0.56 1.23 -0.53 0.00 0.00 176.83 177.97 1wfd h GLY 67 N 0.40 1.10 1.22 5.77 0.00 -0.33 0.49 103.07 111.72 1wfd h GLY 67 Ca 0.42 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1wfd h GLY 67 CO -0.43 0.09 -0.36 -1.72 0.00 0.00 0.00 176.54 174.12 1wfd n TYR 68 N -4.54 0.00 -0.04 5.60 4.01 0.15 -3.57 117.16 118.76 1wfd n TYR 68 Ca 0.17 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.70 1wfd n TYR 68 Cb 0.48 -0.31 -0.13 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 0.12 -0.49 -0.72 2.86 0.26 -2.79 114.93 114.23 1wfd h MET 69 Ca 0.00 -0.21 0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1wfd h MET 69 Cb 0.50 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 1wfd h MET 69 CO 0.00 1.10 0.27 0.22 1.06 0.00 0.00 176.91 179.56 1wfd h ASP 70 N -0.63 0.41 0.07 1.22 1.82 -0.84 0.80 116.42 119.27 1wfd h ASP 70 Ca -0.29 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.36 1wfd h ASP 70 Cb 1.51 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.45 1wfd h ASP 70 CO -0.05 0.29 -0.03 -0.09 -1.61 0.00 0.00 179.24 177.74 1wfd h ARG 71 N 0.53 -0.09 0.11 0.28 9.65 -1.72 -1.49 114.38 121.65 1wfd h ARG 71 Ca 0.21 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.11 1wfd h ARG 71 Cb 0.08 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 1wfd h ARG 71 CO -0.12 0.15 -0.19 0.00 2.80 0.00 0.00 179.97 182.60 1wfd h ALA 72 N 0.58 -0.33 -0.04 2.80 0.00 -1.18 -1.62 119.26 119.48 1wfd h ALA 72 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wfd h ALA 72 Cb 0.28 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1wfd h ALA 72 CO 0.02 -0.72 -0.11 0.93 0.00 0.00 0.00 179.25 179.36 1wfd h GLU 73 N -0.37 -0.11 -0.98 0.00 5.08 0.66 1.02 114.58 119.89 1wfd h GLU 73 Ca 0.02 0.01 0.33 0.00 -1.00 0.00 0.00 59.36 58.72 1wfd h GLU 73 Cb 0.39 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 29.48 1wfd h GLU 73 CO -0.10 -0.07 0.24 -1.71 -1.00 0.00 0.00 179.01 176.36 1wfd n ASN 74 N -3.18 0.08 0.30 1.42 2.85 -0.57 0.11 115.26 116.28 1wfd n ASN 74 Ca -0.01 1.64 -0.15 0.00 -0.11 0.00 0.00 54.58 55.95 1wfd n ASN 74 Cb 0.08 -0.68 -0.08 0.00 1.24 0.00 0.00 39.78 40.33 1wfd n ASN 74 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1wfd h ILE 75 N 0.00 0.29 -0.47 -1.44 2.04 0.03 -1.55 117.51 116.42 1wfd h ILE 75 Ca 0.69 -0.33 0.10 0.00 1.00 0.00 0.00 64.86 66.32 1wfd h ILE 75 Cb 1.64 0.39 -0.10 0.00 -0.74 0.00 0.00 36.82 38.01 1wfd h ILE 75 CO -0.85 0.04 -0.19 0.11 0.00 0.00 0.00 178.15 177.26 1wfd h LYS 76 N -1.03 -0.08 -0.36 2.37 1.57 0.66 1.85 116.57 121.56 1wfd h LYS 76 Ca -0.08 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.81 1wfd h LYS 76 Cb 0.66 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1wfd h LYS 76 CO 0.13 -0.05 0.32 0.87 -0.57 0.00 0.00 179.45 180.14 1wfd h LYS 77 N -0.09 0.00 0.00 3.15 6.56 0.84 1.08 116.57 128.11 1wfd h LYS 77 Ca 0.22 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.72 1wfd h LYS 77 Cb 0.43 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.08 1wfd h LYS 77 CO -0.53 0.00 -1.34 0.98 -2.06 0.00 0.00 179.45 176.50 1wfd n TYR 78 N -4.03 0.86 0.10 -1.35 9.36 0.36 -3.44 117.16 119.01 1wfd n TYR 78 Ca 0.06 0.27 -0.19 0.00 3.32 0.00 0.00 57.90 61.36 1wfd n TYR 78 Cb 0.49 -0.98 -0.15 0.00 -0.63 0.00 0.00 39.34 38.07 1wfd n TYR 78 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1wfd h LEU 79 N 0.00 0.54 -0.88 2.98 3.38 0.66 -0.50 115.31 121.49 1wfd h LEU 79 Ca -0.10 -0.64 -0.07 0.00 0.09 0.00 0.00 57.88 57.16 1wfd h LEU 79 Cb 1.32 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1wfd h LEU 79 CO 0.02 1.51 0.08 -0.78 0.09 0.00 0.00 178.44 179.37 1wfd h ASP 80 N 0.09 0.87 0.11 -0.43 3.58 0.80 -0.35 116.42 121.09 1wfd h ASP 80 Ca -0.22 -0.19 -0.22 0.00 0.42 0.00 0.00 57.03 56.82 1wfd h ASP 80 Cb 2.05 -0.23 0.02 0.00 1.72 0.00 0.00 39.33 42.89 1wfd h ASP 80 CO 0.21 0.88 -0.93 0.06 -2.88 0.00 0.00 179.24 176.58 1wfd h GLN 81 N 0.86 0.44 -0.61 0.28 3.07 -1.62 -3.17 115.11 114.37 1wfd h GLN 81 Ca 0.18 -0.62 0.07 0.00 0.09 0.00 0.00 58.65 58.37 1wfd h GLN 81 Cb 0.40 0.21 -0.04 0.00 0.08 0.00 0.00 27.48 28.13 1wfd h GLN 81 CO 0.01 1.26 0.40 0.93 0.09 0.00 0.00 178.83 181.52 1wfd h GLU 82 N -0.08 0.55 0.92 0.06 4.39 -0.92 0.92 114.58 120.42 1wfd h GLU 82 Ca -0.15 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 1wfd h GLU 82 Cb 1.67 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 30.21 1wfd h GLU 82 CO 0.18 0.36 -0.44 0.87 -1.16 0.00 0.00 179.01 178.82 1wfd h LYS 83 N 0.56 -1.19 0.09 2.33 6.56 -1.09 -0.73 116.57 123.10 1wfd h LYS 83 Ca 0.27 0.08 0.02 0.00 -1.06 0.00 0.00 60.65 59.96 1wfd h LYS 83 Cb 0.32 0.27 -0.04 0.00 -0.57 0.00 0.00 32.23 32.21 1wfd h LYS 83 CO -0.08 -0.79 -0.29 0.93 -2.06 0.00 0.00 179.45 177.16 1wfd h GLU 84 N -1.32 -0.47 -0.15 3.15 5.08 -1.42 0.25 114.58 119.69 1wfd h GLU 84 Ca -0.13 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1wfd h GLU 84 Cb 0.95 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1wfd h GLU 84 CO 0.21 -0.32 0.43 -0.44 -1.00 0.00 0.00 179.01 177.89 1wfd h ASP 85 N -0.49 0.00 -1.50 1.42 3.32 -0.82 -1.08 116.42 117.27 1wfd h ASP 85 Ca 0.04 0.00 0.43 0.00 0.02 0.00 0.00 57.03 57.52 1wfd h ASP 85 Cb 0.54 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 1wfd h ASP 85 CO -0.19 0.00 1.24 1.23 -1.72 0.00 0.00 179.24 179.79 1wfd h GLY 86 N 0.00 0.00 -0.74 2.75 0.00 0.11 0.19 103.07 105.38 1wfd h GLY 86 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.55 1wfd h GLY 86 CO -0.00 0.00 -0.31 0.07 0.00 0.00 0.00 176.54 176.30 1wfd h LYS 87 N 0.00 -0.04 -2.55 4.80 2.10 -1.36 -3.47 116.57 116.05 1wfd h LYS 87 Ca 0.71 0.00 0.30 0.00 -2.00 0.00 0.00 60.65 59.67 1wfd h LYS 87 Cb 3.18 0.01 -0.09 0.00 -0.90 0.00 0.00 32.23 34.43 1wfd h LYS 87 CO -0.01 -0.03 -0.48 0.45 -2.00 0.00 0.00 179.45 177.38 1wfd n SER 88 N -5.49 -6.74 -0.37 7.07 2.88 0.66 -4.97 113.62 106.65 1wfd n SER 88 Ca 0.10 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1wfd n SER 88 Cb 0.40 -3.48 0.00 0.00 -0.75 0.00 0.00 64.21 60.38 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 -3.64 1.76 2.56 0.46 0.00 -1.26 -4.90 105.19 100.17 1wfd n GLY 89 Ca -0.00 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 1wfd n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfd n PRO 90 N 0.00 2.67 -2.80 1.61 -0.04 -1.26 -4.56 135.00 130.61 1wfd n PRO 90 Ca 0.00 -1.84 -0.01 0.00 -0.04 0.00 0.00 63.50 61.61 1wfd n PRO 90 Cb 0.00 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 1wfd n PRO 90 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfd n SER 91 N 4.41 -7.84 0.18 3.54 7.64 -1.26 -4.98 113.62 115.30 1wfd n SER 91 Ca 0.58 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.68 1wfd n SER 91 Cb 0.21 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 58.55 1wfd n SER 91 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wfd n SER 92 N 0.69 -3.13 0.00 6.43 3.41 -1.26 -5.25 113.62 114.50 1wfd n SER 92 Ca 0.01 0.68 0.16 0.00 -0.26 0.00 0.00 58.87 59.46 1wfd n SER 92 Cb 0.11 3.03 0.94 0.00 -0.26 0.00 0.00 64.21 68.03 1wfd n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49