#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 -0.36 -3.69 1.61 0.87 -2.09 -3.49 113.55 106.40 1wfd h SER 2 Ca 0.00 -0.18 0.30 0.00 -1.23 0.00 0.00 61.79 60.67 1wfd h SER 2 Cb 0.00 0.09 -0.16 0.00 -0.44 0.00 0.00 62.40 61.89 1wfd h SER 2 CO 0.00 0.05 -1.09 -1.20 -0.53 0.00 0.00 176.83 174.07 1wfd n SER 3 N -5.11 -6.74 -3.06 6.23 7.64 -1.26 -4.99 113.62 106.34 1wfd n SER 3 Ca -0.09 1.24 -0.07 0.00 1.01 0.00 0.00 58.87 60.96 1wfd n SER 3 Cb 0.27 -4.25 0.02 0.00 -1.01 0.00 0.00 64.21 59.24 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 -4.01 2.01 3.67 0.23 0.00 -1.26 -5.02 105.19 100.81 1wfd n GLY 4 Ca -0.08 -2.17 -0.49 0.00 0.00 0.00 0.00 46.02 43.28 1wfd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfd n SER 5 N -2.70 2.94 0.00 1.61 2.88 -1.26 -4.90 113.62 112.19 1wfd n SER 5 Ca 0.05 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1wfd n SER 5 Cb 0.22 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 1wfd n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfd n SER 6 N 4.56 0.00 -3.78 -3.46 2.88 -1.26 -5.05 113.62 107.52 1wfd n SER 6 Ca 0.20 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.32 1wfd n SER 6 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.12 4.57 0.39 0.46 0.00 -1.26 -4.73 105.19 104.50 1wfd n GLY 7 Ca 0.00 -1.80 0.18 0.00 0.00 0.00 0.00 46.02 44.40 1wfd n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wfd h GLN 8 N 5.87 0.00 -7.07 1.61 4.20 -1.96 -3.44 115.11 114.33 1wfd h GLN 8 Ca 0.50 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.60 1wfd h GLN 8 Cb 0.63 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.21 1wfd h GLN 8 CO 1.78 0.00 -0.96 -0.25 -0.67 0.00 0.00 178.83 178.73 1wfd n ASP 9 N -3.21 0.82 -4.82 1.46 8.00 -1.26 -4.91 116.55 112.62 1wfd n ASP 9 Ca 0.06 -1.27 -0.30 0.00 0.71 0.00 0.00 54.79 54.00 1wfd n ASP 9 Cb 0.77 -1.57 -0.05 0.00 -0.02 0.00 0.00 41.12 40.25 1wfd n ASP 9 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1wfd s SER 10 N -4.35 4.35 0.00 -2.24 0.15 -1.26 -4.47 113.70 105.88 1wfd s SER 10 Ca 0.01 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.20 1wfd s SER 10 Cb -0.01 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1wfd s SER 10 CO 0.99 -0.95 0.00 0.47 1.20 0.00 0.00 173.24 174.95 1wfd n ASP 11 N -1.48 0.00 -0.38 5.45 8.00 -1.26 -3.67 116.55 123.22 1wfd n ASP 11 Ca -0.11 0.00 0.33 0.00 0.71 0.00 0.00 54.79 55.72 1wfd n ASP 11 Cb 0.66 0.00 0.66 0.00 -0.02 0.00 0.00 41.12 42.42 1wfd n ASP 11 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1wfd h SER 12 N 0.00 0.19 -0.50 -2.24 0.02 -1.89 -0.32 113.55 108.81 1wfd h SER 12 Ca 0.00 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1wfd h SER 12 Cb 0.00 0.03 -0.09 0.00 0.14 0.00 0.00 62.40 62.48 1wfd h SER 12 CO 0.00 -0.01 -0.54 0.74 -1.14 0.00 0.00 176.83 175.88 1wfd h THR 13 N 0.14 0.01 -1.02 -2.27 2.02 -1.78 0.59 112.91 110.61 1wfd h THR 13 Ca 0.66 0.00 0.42 0.00 0.77 0.00 0.00 66.41 68.26 1wfd h THR 13 Cb 2.22 0.01 -0.18 0.00 -1.74 0.00 0.00 68.15 68.46 1wfd h THR 13 CO -0.18 0.00 0.56 0.00 0.37 0.00 0.00 175.52 176.27 1wfd h ALA 14 N 0.12 2.20 0.43 6.16 0.00 -1.39 0.90 119.26 127.67 1wfd h ALA 14 Ca 0.10 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1wfd h ALA 14 Cb 0.57 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wfd h ALA 14 CO -0.65 -0.98 -0.21 0.00 0.00 0.00 0.00 179.25 177.41 1wfd h ALA 15 N 1.98 -0.58 -0.97 0.00 0.00 0.03 0.55 119.26 120.26 1wfd h ALA 15 Ca 0.85 -0.19 0.28 0.00 0.00 0.00 0.00 54.91 55.85 1wfd h ALA 15 Cb 2.27 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 20.15 1wfd h ALA 15 CO -0.75 -0.67 0.50 0.28 0.00 0.00 0.00 179.25 178.60 1wfd h VAL 16 N -0.89 0.38 0.39 0.00 2.07 0.20 1.61 116.25 120.01 1wfd h VAL 16 Ca -0.06 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1wfd h VAL 16 Cb 0.56 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1wfd h VAL 16 CO 0.10 0.07 -0.19 0.00 0.02 0.00 0.00 177.57 177.57 1wfd h ALA 17 N 1.79 -0.54 -1.09 1.67 0.00 -0.58 0.28 119.26 120.80 1wfd h ALA 17 Ca 0.66 -0.11 0.32 0.00 0.00 0.00 0.00 54.91 55.78 1wfd h ALA 17 Cb 1.40 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1wfd h ALA 17 CO -0.57 -0.50 0.79 -0.24 0.00 0.00 0.00 179.25 178.73 1wfd h VAL 18 N -1.11 0.45 0.03 0.00 3.04 0.15 0.79 116.25 119.60 1wfd h VAL 18 Ca -0.05 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.45 1wfd h VAL 18 Cb 0.40 0.45 0.02 0.00 -2.01 0.00 0.00 31.29 30.15 1wfd h VAL 18 CO 0.09 0.00 -0.75 -0.07 -1.01 0.00 0.00 177.57 175.83 1wfd h LEU 19 N 0.00 0.61 -0.15 3.16 3.38 0.24 -1.79 115.31 120.76 1wfd h LEU 19 Ca 0.52 -0.79 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1wfd h LEU 19 Cb 2.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.64 1wfd h LEU 19 CO -0.01 1.32 0.02 0.50 0.09 0.00 0.00 178.44 180.37 1wfd h LYS 20 N -0.04 0.08 0.27 1.13 1.63 0.26 -1.34 116.57 118.57 1wfd h LYS 20 Ca -0.10 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1wfd h LYS 20 Cb 1.46 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 1wfd h LYS 20 CO 0.15 0.05 -0.13 0.00 -3.45 0.00 0.00 179.45 176.07 1wfd h ARG 21 N 0.08 -0.35 -0.69 1.90 2.47 -0.76 -2.67 114.38 114.35 1wfd h ARG 21 Ca 0.07 0.02 0.11 0.00 -1.26 0.00 0.00 59.98 58.92 1wfd h ARG 21 Cb 0.06 0.08 -0.12 0.00 -1.65 0.00 0.00 29.97 28.34 1wfd h ARG 21 CO -0.10 -0.23 -0.39 0.00 0.56 0.00 0.00 179.97 179.82 1wfd h ALA 22 N 0.35 -0.11 -0.65 0.04 0.00 -1.05 0.43 119.26 118.27 1wfd h ALA 22 Ca -0.04 0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.17 1wfd h ALA 22 Cb 0.29 0.92 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 1wfd h ALA 22 CO 0.06 -0.72 -0.22 0.28 0.00 0.00 0.00 179.25 178.64 1wfd h VAL 23 N -0.14 0.27 0.28 0.00 2.07 -1.03 0.44 116.25 118.13 1wfd h VAL 23 Ca 0.24 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 1wfd h VAL 23 Cb 0.56 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1wfd h VAL 23 CO -0.76 0.00 -0.39 -0.33 0.02 0.00 0.00 177.57 176.10 1wfd h GLU 24 N -0.05 -0.67 -0.84 1.57 4.39 0.10 0.44 114.58 119.50 1wfd h GLU 24 Ca 0.30 0.05 0.21 0.00 0.34 0.00 0.00 59.36 60.25 1wfd h GLU 24 Cb 0.52 0.15 -0.13 0.00 -0.10 0.00 0.00 28.75 29.19 1wfd h GLU 24 CO -0.70 -0.45 0.22 -0.07 -1.16 0.00 0.00 179.01 176.86 1wfd h LEU 25 N -0.70 0.01 -1.48 1.33 3.38 0.08 1.66 115.31 119.60 1wfd h LEU 25 Ca -0.03 0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1wfd h LEU 25 Cb 0.64 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1wfd h LEU 25 CO -0.11 -0.11 0.44 -0.78 0.09 0.00 0.00 178.44 177.96 1wfd h ASP 26 N 0.24 0.55 1.53 -0.43 3.58 0.69 0.38 116.42 122.97 1wfd h ASP 26 Ca 0.51 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.89 1wfd h ASP 26 Cb 0.98 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 1wfd h ASP 26 CO -0.61 0.35 -0.48 0.00 -2.88 0.00 0.00 179.24 175.63 1wfd h ALA 27 N 1.65 0.75 -0.01 -0.78 0.00 0.42 -3.05 119.26 118.24 1wfd h ALA 27 Ca 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wfd h ALA 27 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wfd h ALA 27 CO -0.09 0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.99 1wfd n GLU 28 N -3.13 1.36 -0.97 0.00 -0.58 0.26 -4.87 120.64 112.71 1wfd n GLU 28 Ca 0.01 -0.52 0.00 0.00 -0.42 0.00 0.00 57.16 56.24 1wfd n GLU 28 Cb 0.68 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 1wfd n GLU 28 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wfd n SER 29 N -0.37 -0.02 -3.50 1.62 7.64 0.17 -4.91 113.62 114.26 1wfd n SER 29 Ca 0.21 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.69 1wfd n SER 29 Cb 0.24 -0.15 -0.01 0.00 -1.01 0.00 0.00 64.21 63.28 1wfd n SER 29 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wfd n ARG 30 N -2.00 3.98 -0.36 1.43 1.74 0.99 -4.66 116.66 117.77 1wfd n ARG 30 Ca 0.00 -2.93 -0.01 0.00 -0.77 0.00 0.00 57.85 54.14 1wfd n ARG 30 Cb 0.00 -2.80 0.14 0.00 -1.02 0.00 0.00 32.46 28.79 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 5.03 1.21 0.00 -1.55 0.05 -1.88 0.32 116.97 120.16 1wfd h TYR 31 Ca 0.71 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.52 1wfd h TYR 31 Cb 0.37 -0.41 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1wfd h TYR 31 CO 1.65 0.74 0.15 1.96 -1.05 0.00 0.00 178.16 181.60 1wfd h GLN 32 N 1.28 0.00 0.00 4.88 1.08 -1.95 0.69 115.11 121.10 1wfd h GLN 32 Ca 0.37 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.30 1wfd h GLN 32 Cb -0.08 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.30 1wfd h GLN 32 CO -0.10 0.00 -2.03 1.04 -0.95 0.00 0.00 178.83 176.79 1wfd n GLN 33 N -2.70 0.98 0.27 1.46 6.02 0.03 -4.32 117.38 119.11 1wfd n GLN 33 Ca -0.02 0.06 0.16 0.00 -0.01 0.00 0.00 57.00 57.19 1wfd n GLN 33 Cb 0.20 -1.37 0.63 0.00 1.02 0.00 0.00 30.24 30.72 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 0.32 1.01 0.26 -1.58 0.00 0.88 -2.58 119.26 117.56 1wfd h ALA 34 Ca -0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1wfd h ALA 34 Cb 1.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1wfd h ALA 34 CO -0.03 0.04 -0.13 1.25 0.00 0.00 0.00 179.25 180.39 1wfd h LEU 35 N 0.00 -0.30 -0.57 0.00 7.12 0.13 0.32 115.31 122.01 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 0.57 0.08 -0.11 0.00 -0.53 0.00 0.00 40.66 40.67 1wfd h LEU 35 CO 0.00 -0.13 -0.13 -0.37 -0.13 0.00 0.00 178.44 177.69 1wfd h VAL 36 N -0.52 0.44 0.13 1.05 -1.51 -1.74 0.33 116.25 114.43 1wfd h VAL 36 Ca -0.04 -0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.44 1wfd h VAL 36 Cb 0.27 0.43 -0.04 0.00 -2.13 0.00 0.00 31.29 29.82 1wfd h VAL 36 CO 0.06 0.00 -0.42 0.00 -1.23 0.00 0.00 177.57 175.98 1wfd h TYR 38 N -0.62 0.89 -0.23 0.00 0.05 0.30 0.34 116.97 117.70 1wfd h TYR 38 Ca -0.01 0.03 -0.17 0.00 0.05 0.00 0.00 58.73 58.63 1wfd h TYR 38 Cb 0.62 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1wfd h TYR 38 CO -0.40 0.04 -0.51 1.96 -1.05 0.00 0.00 178.16 178.21 1wfd h GLN 39 N 0.50 0.75 -0.99 4.88 1.08 0.14 -1.16 115.11 120.30 1wfd h GLN 39 Ca 0.64 -0.50 0.08 0.00 -1.45 0.00 0.00 58.65 57.42 1wfd h GLN 39 Cb 1.38 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 28.80 1wfd h GLN 39 CO -0.43 1.12 0.63 0.93 -0.95 0.00 0.00 178.83 180.14 1wfd h GLU 40 N 0.48 1.06 -0.01 1.46 4.39 0.59 0.12 114.58 122.68 1wfd h GLU 40 Ca 0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1wfd h GLU 40 Cb 1.12 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1wfd h GLU 40 CO 0.11 0.70 -0.03 0.78 -1.16 0.00 0.00 179.01 179.41 1wfd h GLY 41 N 1.09 0.03 0.15 -3.84 0.00 -1.02 -2.64 103.07 96.85 1wfd h GLY 41 Ca 0.45 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.77 1wfd h GLY 41 CO -0.20 0.04 -0.37 -2.22 0.00 0.00 0.00 176.54 173.79 1wfd h ILE 42 N -0.64 0.22 -0.94 2.60 2.04 -0.80 1.05 117.51 121.04 1wfd h ILE 42 Ca -0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.03 1wfd h ILE 42 Cb 0.71 0.22 -0.10 0.00 -0.74 0.00 0.00 36.82 36.90 1wfd h ILE 42 CO 0.01 0.00 0.53 -0.78 0.00 0.00 0.00 178.15 177.91 1wfd h ASP 43 N -0.49 0.67 -0.09 1.72 3.58 -0.86 0.76 116.42 121.71 1wfd h ASP 43 Ca 0.07 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 1wfd h ASP 43 Cb 0.60 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 1wfd h ASP 43 CO -0.34 0.24 -0.01 0.24 -2.88 0.00 0.00 179.24 176.49 1wfd h MET 44 N 0.69 0.16 -0.02 0.28 2.86 -0.49 -3.01 114.93 115.41 1wfd h MET 44 Ca 0.54 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1wfd h MET 44 Cb 0.82 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 1wfd h MET 44 CO -0.39 0.47 -0.01 -0.07 1.06 0.00 0.00 176.91 177.98 1wfd h LEU 45 N -0.15 -0.02 -0.98 1.22 3.38 0.26 -1.80 115.31 117.22 1wfd h LEU 45 Ca 0.02 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.13 1wfd h LEU 45 Cb 0.40 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.02 1wfd h LEU 45 CO 0.01 -0.01 -0.44 0.18 0.09 0.00 0.00 178.44 178.27 1wfd n LEU 46 N -5.10 -0.76 -0.33 1.67 4.77 0.25 0.19 117.00 117.70 1wfd n LEU 46 Ca -0.07 1.72 -0.00 0.00 -0.03 0.00 0.00 56.01 57.63 1wfd n LEU 46 Cb 0.04 -0.34 0.17 0.00 -2.33 0.00 0.00 43.42 40.95 1wfd n LEU 46 CO 0.32 -1.50 1.28 1.56 -1.33 0.00 0.00 177.39 177.72 1wfd h GLN 47 N 0.00 1.19 -0.64 3.23 4.20 -1.34 -0.70 115.11 121.05 1wfd h GLN 47 Ca 0.29 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1wfd h GLN 47 Cb 0.53 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1wfd h GLN 47 CO -0.96 0.79 0.37 0.28 -0.67 0.00 0.00 178.83 178.64 1wfd h VAL 48 N 1.23 1.20 -0.57 -0.54 2.07 0.30 -2.22 116.25 117.70 1wfd h VAL 48 Ca 0.35 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1wfd h VAL 48 Cb -0.09 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1wfd h VAL 48 CO -0.09 0.21 0.33 0.25 0.02 0.00 0.00 177.57 178.29 1wfd h LEU 49 N 0.87 0.71 -1.10 2.57 6.46 0.16 -1.70 115.31 123.27 1wfd h LEU 49 Ca 0.23 -0.08 0.28 0.00 -0.12 0.00 0.00 57.88 58.18 1wfd h LEU 49 Cb 0.01 -0.18 -0.12 0.00 -0.73 0.00 0.00 40.66 39.64 1wfd h LEU 49 CO -0.04 0.58 0.62 0.11 -0.62 0.00 0.00 178.44 179.10 1wfd h LYS 50 N 0.77 0.45 -2.02 1.25 1.79 -0.55 0.33 116.57 118.60 1wfd h LYS 50 Ca 0.20 -0.03 -0.68 0.00 -2.18 0.00 0.00 60.65 57.96 1wfd h LYS 50 Cb 0.02 -0.10 -0.35 0.00 -1.58 0.00 0.00 32.23 30.22 1wfd h LYS 50 CO -0.03 0.30 0.12 0.41 -1.08 0.00 0.00 179.45 179.17 1wfd n GLY 51 N -1.35 5.83 2.37 3.86 0.00 -0.65 -4.82 105.19 110.41 1wfd n GLY 51 Ca 0.28 -2.67 -0.26 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.33 0.60 0.84 2.61 -1.04 0.10 -4.88 114.28 112.19 1wfd n THR 52 Ca 0.42 -4.48 0.10 0.00 -2.04 0.00 0.00 64.05 58.05 1wfd n THR 52 Cb 0.39 -2.00 0.48 0.00 -1.82 0.00 0.00 70.33 67.38 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 1.42 0.16 0.18 -2.82 5.02 -1.26 -3.19 118.16 117.66 1wfd n LYS 53 Ca 0.25 0.12 0.17 0.00 -2.02 0.00 0.00 58.31 56.83 1wfd n LYS 53 Cb 0.46 -1.50 0.63 0.00 -0.02 0.00 0.00 35.03 34.60 1wfd n LYS 53 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1wfd h GLU 54 N 0.00 0.00 0.00 1.97 3.07 -1.97 -3.44 114.58 114.21 1wfd h GLU 54 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1wfd h GLU 54 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1wfd h GLU 54 CO 0.00 0.00 0.00 0.45 -1.40 0.00 0.00 179.01 178.06 1wfd n SER 55 N -3.16 0.00 -0.21 1.42 2.88 -1.19 -4.22 113.62 109.14 1wfd n SER 55 Ca 0.05 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.51 1wfd n SER 55 Cb 0.70 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.19 1wfd n SER 55 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wfd h SER 56 N 0.00 0.80 -0.98 -3.46 4.64 -1.90 -2.26 113.55 110.40 1wfd h SER 56 Ca 0.00 -0.16 0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1wfd h SER 56 Cb 0.00 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 61.82 1wfd h SER 56 CO 0.00 0.74 0.63 0.11 -0.87 0.00 0.00 176.83 177.44 1wfd h LYS 57 N 0.81 1.12 -0.82 4.77 1.57 -1.89 -0.84 116.57 121.28 1wfd h LYS 57 Ca 0.20 -0.07 0.11 0.00 -1.87 0.00 0.00 60.65 59.02 1wfd h LYS 57 Cb 0.18 -0.25 -0.08 0.00 0.08 0.00 0.00 32.23 32.15 1wfd h LYS 57 CO -0.02 0.74 0.45 0.00 -0.57 0.00 0.00 179.45 180.05 1wfd h ARG 58 N 1.15 0.70 0.44 3.15 3.08 -1.62 1.29 114.38 122.57 1wfd h ARG 58 Ca 0.42 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 1wfd h ARG 58 Cb 0.16 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1wfd h ARG 58 CO -0.17 0.46 -0.21 0.00 -1.07 0.00 0.00 179.97 178.98 1wfd h VAL 60 N -0.65 0.37 -0.05 0.00 2.07 -0.71 0.43 116.25 117.71 1wfd h VAL 60 Ca -0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1wfd h VAL 60 Cb 0.49 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1wfd h VAL 60 CO 0.10 0.00 -0.44 -0.07 0.02 0.00 0.00 177.57 177.18 1wfd h LEU 61 N -0.68 -1.37 -1.87 2.57 3.38 0.17 0.67 115.31 118.19 1wfd h LEU 61 Ca -0.03 0.16 0.25 0.00 0.09 0.00 0.00 57.88 58.35 1wfd h LEU 61 Cb 0.59 0.53 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1wfd h LEU 61 CO -0.02 -0.41 0.73 0.03 0.09 0.00 0.00 178.44 178.87 1wfd h ARG 62 N -0.51 0.00 0.00 1.13 3.08 0.21 1.72 114.38 120.01 1wfd h ARG 62 Ca 0.02 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 1wfd h ARG 62 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1wfd h ARG 62 CO -0.32 0.00 -0.92 1.15 -1.07 0.00 0.00 179.97 178.81 1wfd h THR 63 N 0.00 1.31 0.00 2.04 2.02 0.21 -2.94 112.91 115.56 1wfd h THR 63 Ca 0.41 -2.91 -0.04 0.00 0.77 0.00 0.00 66.41 64.63 1wfd h THR 63 Cb 1.87 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 70.91 1wfd h THR 63 CO -0.00 0.75 -0.32 0.11 0.37 0.00 0.00 175.52 176.43 1wfd h LYS 64 N 0.00 0.00 -0.15 6.66 1.57 0.75 -2.56 116.57 122.84 1wfd h LYS 64 Ca -0.04 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1wfd h LYS 64 Cb 1.66 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.92 1wfd h LYS 64 CO 0.10 0.49 -0.36 0.82 -0.57 0.00 0.00 179.45 179.93 1wfd h ILE 65 N -1.00 0.00 -0.29 1.86 2.04 0.50 0.42 117.51 121.04 1wfd h ILE 65 Ca -0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1wfd h ILE 65 Cb 0.64 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 1wfd h ILE 65 CO -0.04 0.00 -0.11 0.77 0.00 0.00 0.00 178.15 178.77 1wfd h SER 66 N -0.35 -0.40 -0.60 1.72 4.64 -1.70 0.56 113.55 117.42 1wfd h SER 66 Ca 0.03 0.10 0.17 0.00 -0.47 0.00 0.00 61.79 61.63 1wfd h SER 66 Cb 0.43 0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1wfd h SER 66 CO -0.32 -0.15 0.52 1.23 -0.87 0.00 0.00 176.83 177.24 1wfd h GLY 67 N -0.06 0.00 0.48 -0.77 0.00 -0.86 0.79 103.07 102.65 1wfd h GLY 67 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1wfd h GLY 67 CO -0.34 0.00 -1.24 -1.72 0.00 0.00 0.00 176.54 173.24 1wfd n TYR 68 N -3.96 0.30 0.12 5.60 4.01 0.14 -3.99 117.16 119.39 1wfd n TYR 68 Ca 0.12 0.09 -0.24 0.00 -0.16 0.00 0.00 57.90 57.71 1wfd n TYR 68 Cb 0.75 -0.50 -0.15 0.00 -0.31 0.00 0.00 39.34 39.13 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 0.56 0.16 -0.72 2.86 0.54 -2.71 114.93 115.63 1wfd h MET 69 Ca 0.00 -0.88 -0.01 0.00 -2.06 0.00 0.00 59.70 56.75 1wfd h MET 69 Cb 0.82 0.32 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1wfd h MET 69 CO 0.00 1.41 -0.08 0.22 1.06 0.00 0.00 176.91 179.53 1wfd h ASP 70 N 0.16 -0.19 -0.38 1.22 3.58 -1.14 0.23 116.42 119.90 1wfd h ASP 70 Ca -0.23 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.25 1wfd h ASP 70 Cb 2.06 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 43.11 1wfd h ASP 70 CO 0.26 -0.11 0.13 -0.09 -2.88 0.00 0.00 179.24 176.55 1wfd h ARG 71 N -0.25 0.27 0.30 0.28 9.65 -1.69 -0.31 114.38 122.63 1wfd h ARG 71 Ca -0.02 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1wfd h ARG 71 Cb 0.19 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1wfd h ARG 71 CO 0.04 0.18 -0.27 0.00 2.80 0.00 0.00 179.97 182.72 1wfd h ALA 72 N 1.25 -0.59 -0.06 2.80 0.00 -1.20 -1.43 119.26 120.02 1wfd h ALA 72 Ca 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1wfd h ALA 72 Cb 0.16 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1wfd h ALA 72 CO -0.18 -0.86 -0.21 0.93 0.00 0.00 0.00 179.25 178.93 1wfd h GLU 73 N -0.59 -0.21 -0.98 0.00 5.08 -0.14 0.66 114.58 118.40 1wfd h GLU 73 Ca -0.02 0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.58 1wfd h GLU 73 Cb 0.54 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 29.65 1wfd h GLU 73 CO -0.04 -0.14 -0.14 0.09 -1.00 0.00 0.00 179.01 177.78 1wfd n ASN 74 N -3.68 -0.26 0.29 1.42 3.02 -0.16 0.12 115.26 116.01 1wfd n ASN 74 Ca -0.02 1.67 -0.11 0.00 -0.03 0.00 0.00 54.58 56.09 1wfd n ASN 74 Cb 0.14 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.77 2.41 2.04 -0.00 0.15 117.51 121.33 1wfd h ILE 75 Ca 0.52 -0.01 0.14 0.00 1.00 0.00 0.00 64.86 66.51 1wfd h ILE 75 Cb 0.92 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.86 1wfd h ILE 75 CO -0.97 0.00 -0.32 0.11 0.00 0.00 0.00 178.15 176.97 1wfd h LYS 76 N -0.73 -0.07 -0.86 2.37 1.57 0.29 2.14 116.57 121.28 1wfd h LYS 76 Ca -0.07 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.84 1wfd h LYS 76 Cb 0.56 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 1wfd h LYS 76 CO 0.12 -0.05 0.56 0.87 -0.57 0.00 0.00 179.45 180.38 1wfd h LYS 77 N -0.07 0.68 0.00 3.15 6.56 0.10 1.61 116.57 128.60 1wfd h LYS 77 Ca 0.31 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.81 1wfd h LYS 77 Cb 0.58 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1wfd h LYS 77 CO -0.82 0.45 -0.26 -0.92 -2.06 0.00 0.00 179.45 175.84 1wfd h TYR 78 N 0.70 0.00 0.11 -1.35 3.20 0.53 -3.05 116.97 117.10 1wfd h TYR 78 Ca 0.42 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.99 1wfd h TYR 78 Cb 0.65 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1wfd h TYR 78 CO -0.00 0.23 -1.56 -0.07 -1.64 0.00 0.00 178.16 175.12 1wfd h LEU 79 N 0.00 0.35 -1.78 2.82 3.38 0.67 -1.19 115.31 119.57 1wfd h LEU 79 Ca -0.00 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 1wfd h LEU 79 Cb 1.18 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1wfd h LEU 79 CO 0.03 1.43 -0.14 0.44 0.09 0.00 0.00 178.44 180.30 1wfd h ASP 80 N 0.06 0.00 0.16 -0.43 3.32 0.21 0.60 116.42 120.34 1wfd h ASP 80 Ca -0.25 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.44 1wfd h ASP 80 Cb 2.01 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.52 1wfd h ASP 80 CO 0.15 0.14 -2.06 0.00 -1.72 0.00 0.00 179.24 175.74 1wfd n GLN 81 N -3.58 0.71 0.18 3.56 10.64 -1.16 -4.05 117.38 123.69 1wfd n GLN 81 Ca -0.01 0.23 0.05 0.00 -1.83 0.00 0.00 57.00 55.44 1wfd n GLN 81 Cb 0.27 -1.68 0.29 0.00 -0.86 0.00 0.00 30.24 28.26 1wfd n GLN 81 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1wfd h GLU 82 N 0.04 0.00 -0.10 2.61 4.39 -0.90 -0.31 114.58 120.31 1wfd h GLU 82 Ca -0.44 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.21 1wfd h GLU 82 Cb 2.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.66 1wfd h GLU 82 CO 0.05 0.39 -0.19 1.57 -1.16 0.00 0.00 179.01 179.67 1wfd h LYS 83 N 0.00 0.17 0.00 2.33 2.10 0.05 -3.39 116.57 117.83 1wfd h LYS 83 Ca -0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1wfd h LYS 83 Cb 0.98 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1wfd h LYS 83 CO 0.05 0.36 0.00 -0.85 -2.00 0.00 0.00 179.45 177.01 1wfd n GLU 84 N -4.24 0.00 -1.56 0.07 0.28 -1.06 -4.87 120.64 109.26 1wfd n GLU 84 Ca -0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.84 1wfd n GLU 84 Cb 0.30 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.11 1wfd n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1wfd n ASP 85 N -0.68 -3.85 -2.35 -1.84 2.03 -0.15 -0.05 116.55 109.65 1wfd n ASP 85 Ca 0.00 0.33 -0.18 0.00 0.52 0.00 0.00 54.79 55.46 1wfd n ASP 85 Cb 0.00 -3.51 -0.01 0.00 -0.72 0.00 0.00 41.12 36.87 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 -0.35 -0.35 0.39 0.27 0.00 -1.26 -4.86 105.19 99.03 1wfd n GLY 86 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1wfd n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfd h LYS 87 N 0.00 -0.38 -5.31 1.61 1.57 -0.80 -3.47 116.57 109.79 1wfd h LYS 87 Ca -0.41 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1wfd h LYS 87 Cb 1.30 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.62 1wfd h LYS 87 CO 0.49 -0.26 -0.99 0.43 -0.57 0.00 0.00 179.45 178.56 1wfd n SER 88 N -5.42 -3.33 -2.59 0.86 7.64 -1.26 -5.01 113.62 104.50 1wfd n SER 88 Ca -0.02 1.26 -0.08 0.00 1.01 0.00 0.00 58.87 61.03 1wfd n SER 88 Cb 0.35 -3.93 0.06 0.00 -1.01 0.00 0.00 64.21 59.68 1wfd n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfd n GLY 89 N 2.01 -0.85 2.33 0.23 0.00 -1.26 -4.88 105.19 102.77 1wfd n GLY 89 Ca -0.24 -1.74 -0.21 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.77 2.24 -3.38 1.61 -0.04 -1.26 -4.67 135.00 127.73 1wfd n PRO 90 Ca 0.05 -1.34 -0.30 0.00 -0.04 0.00 0.00 63.50 61.87 1wfd n PRO 90 Cb 0.17 -2.29 0.03 0.00 -0.04 0.00 0.00 33.50 31.37 1wfd n PRO 90 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wfd n SER 91 N 3.38 -5.95 -4.67 3.54 3.41 -1.26 -4.79 113.62 107.28 1wfd n SER 91 Ca 0.48 0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.69 1wfd n SER 91 Cb 0.39 -2.08 -0.03 0.00 -0.26 0.00 0.00 64.21 62.24 1wfd n SER 91 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wfd s SER 92 N -1.51 6.80 0.00 4.04 0.01 -1.26 -5.30 113.70 116.48 1wfd s SER 92 Ca 0.31 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.63 1wfd s SER 92 Cb -0.04 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1wfd s SER 92 CO 0.74 -0.80 0.08 0.61 0.41 0.00 0.00 173.24 174.27