#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfd s SER 2 N 0.00 4.75 0.34 1.61 0.15 -1.26 -5.05 113.70 114.24 1wfd s SER 2 Ca 0.00 -3.45 0.09 0.00 0.70 0.00 0.00 55.95 53.30 1wfd s SER 2 Cb 0.00 -1.68 -0.06 0.00 -1.71 0.00 0.00 66.02 62.57 1wfd s SER 2 CO 0.00 -0.17 -0.02 -0.55 1.20 0.00 0.00 173.24 173.70 1wfd s SER 3 N -0.74 4.04 0.60 5.45 0.15 -1.26 -5.14 113.70 116.80 1wfd s SER 3 Ca 0.21 -1.06 -0.08 0.00 0.70 0.00 0.00 55.95 55.72 1wfd s SER 3 Cb -0.14 -0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 63.69 1wfd s SER 3 CO -0.09 -0.23 0.95 -0.83 1.20 0.00 0.00 173.24 174.24 1wfd s GLY 4 N -3.68 1.60 0.08 9.45 0.00 -1.26 -5.09 107.32 108.41 1wfd s GLY 4 Ca 0.34 -0.48 -0.27 0.00 0.00 0.00 0.00 44.72 44.32 1wfd s GLY 4 CO 0.18 -0.20 0.89 -1.35 0.00 0.00 0.00 173.10 172.63 1wfd s SER 5 N -4.26 -0.30 -0.74 1.64 1.04 -1.26 -5.10 113.70 104.72 1wfd s SER 5 Ca 0.54 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.81 1wfd s SER 5 Cb -0.11 0.45 0.18 0.00 0.10 0.00 0.00 66.02 66.64 1wfd s SER 5 CO 0.48 -0.78 0.56 -0.44 0.98 0.00 0.00 173.24 174.04 1wfd s SER 6 N -2.70 5.17 0.00 7.02 0.01 -1.26 -4.99 113.70 116.95 1wfd s SER 6 Ca 0.08 -3.68 0.00 0.00 1.31 0.00 0.00 55.95 53.66 1wfd s SER 6 Cb -0.01 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.48 1wfd s SER 6 CO -0.04 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1wfd n GLY 7 N 2.28 4.83 3.52 3.44 0.00 -1.26 -5.04 105.19 112.96 1wfd n GLY 7 Ca 0.18 -1.06 -0.44 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.90 1.30 -3.57 1.61 6.02 -1.26 -4.88 117.38 114.69 1wfd n GLN 8 Ca 0.00 0.29 -0.13 0.00 -0.01 0.00 0.00 57.00 57.14 1wfd n GLN 8 Cb 0.00 -2.89 -0.05 0.00 1.02 0.00 0.00 30.24 28.32 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 8.89 -0.42 -0.04 1.08 1.47 -1.26 -5.10 116.67 121.29 1wfd s ASP 9 Ca 1.06 0.11 -0.21 0.00 1.18 0.00 0.00 52.55 54.69 1wfd s ASP 9 Cb -0.55 0.49 0.07 0.00 -0.34 0.00 0.00 42.92 42.59 1wfd s ASP 9 CO 0.39 -0.75 0.94 -1.20 0.68 0.00 0.00 175.17 175.23 1wfd n SER 10 N 0.30 -0.79 0.06 2.11 7.64 -1.26 -4.97 113.62 116.70 1wfd n SER 10 Ca -0.18 -1.10 -0.03 0.00 1.01 0.00 0.00 58.87 58.57 1wfd n SER 10 Cb 0.61 1.21 -0.01 0.00 -1.01 0.00 0.00 64.21 65.00 1wfd n SER 10 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1wfd h ASP 11 N 1.41 -0.16 -0.22 6.43 3.58 -2.00 -3.21 116.42 122.25 1wfd h ASP 11 Ca -0.14 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.38 1wfd h ASP 11 Cb 0.83 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 1wfd h ASP 11 CO 0.21 0.00 0.25 0.28 -2.88 0.00 0.00 179.24 177.11 1wfd h SER 12 N -0.43 0.00 0.18 2.28 0.02 -1.98 -2.45 113.55 111.17 1wfd h SER 12 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1wfd h SER 12 Cb 0.15 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1wfd h SER 12 CO 0.03 0.00 -0.38 0.74 -1.14 0.00 0.00 176.83 176.08 1wfd h THR 13 N 0.00 0.00 -1.26 -2.27 2.02 -1.93 0.78 112.91 110.25 1wfd h THR 13 Ca 0.10 0.00 0.45 0.00 0.77 0.00 0.00 66.41 67.73 1wfd h THR 13 Cb 0.61 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.87 1wfd h THR 13 CO -0.00 0.00 0.78 0.00 0.37 0.00 0.00 175.52 176.67 1wfd h ALA 14 N -0.93 2.61 0.18 6.16 0.00 -1.44 1.23 119.26 127.07 1wfd h ALA 14 Ca -0.02 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1wfd h ALA 14 Cb 0.58 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wfd h ALA 14 CO -0.15 -1.32 -0.09 0.00 0.00 0.00 0.00 179.25 177.69 1wfd h ALA 15 N 1.72 -0.24 -1.00 0.00 0.00 -1.11 0.46 119.26 119.09 1wfd h ALA 15 Ca 0.86 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.82 1wfd h ALA 15 Cb 2.60 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 20.36 1wfd h ALA 15 CO -0.54 -0.44 0.60 0.28 0.00 0.00 0.00 179.25 179.15 1wfd h VAL 16 N -0.63 0.55 0.33 0.00 2.07 0.36 1.52 116.25 120.45 1wfd h VAL 16 Ca -0.02 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1wfd h VAL 16 Cb 0.46 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1wfd h VAL 16 CO 0.04 0.11 -0.16 0.00 0.02 0.00 0.00 177.57 177.58 1wfd h ALA 17 N 1.72 -0.44 -1.03 1.67 0.00 -0.75 0.89 119.26 121.33 1wfd h ALA 17 Ca 0.64 -0.11 0.30 0.00 0.00 0.00 0.00 54.91 55.74 1wfd h ALA 17 Cb 1.19 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1wfd h ALA 17 CO -0.47 -0.41 0.74 -0.24 0.00 0.00 0.00 179.25 178.87 1wfd h VAL 18 N -1.11 0.49 0.16 0.00 3.04 0.88 0.83 116.25 120.55 1wfd h VAL 18 Ca -0.04 -0.00 -0.30 0.00 -1.01 0.00 0.00 66.70 65.35 1wfd h VAL 18 Cb 0.36 0.48 0.03 0.00 -2.01 0.00 0.00 31.29 30.15 1wfd h VAL 18 CO 0.07 0.00 -1.26 -0.07 -1.01 0.00 0.00 177.57 175.31 1wfd h LEU 19 N 0.00 0.82 -0.40 3.16 3.38 0.21 -1.73 115.31 120.76 1wfd h LEU 19 Ca 0.49 -0.87 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1wfd h LEU 19 Cb 1.95 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 1wfd h LEU 19 CO -0.01 1.61 0.22 0.50 0.09 0.00 0.00 178.44 180.86 1wfd h LYS 20 N 0.15 0.55 0.30 1.13 1.63 0.30 -2.15 116.57 118.48 1wfd h LYS 20 Ca -0.20 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.52 1wfd h LYS 20 Cb 1.95 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.47 1wfd h LYS 20 CO 0.24 0.43 -0.14 0.00 -3.45 0.00 0.00 179.45 176.53 1wfd h ARG 21 N 0.51 -0.39 -0.92 1.90 2.47 -0.38 -3.06 114.38 114.52 1wfd h ARG 21 Ca 0.14 0.03 0.10 0.00 -1.26 0.00 0.00 59.98 58.98 1wfd h ARG 21 Cb 0.04 0.09 -0.12 0.00 -1.65 0.00 0.00 29.97 28.32 1wfd h ARG 21 CO -0.02 -0.12 -0.55 0.00 0.56 0.00 0.00 179.97 179.83 1wfd h ALA 22 N 0.01 -0.46 -0.91 0.04 0.00 -1.19 0.70 119.26 117.45 1wfd h ALA 22 Ca -0.04 0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.17 1wfd h ALA 22 Cb 0.44 1.28 -0.17 0.00 0.00 0.00 0.00 17.79 19.35 1wfd h ALA 22 CO 0.07 -0.92 -0.27 0.28 0.00 0.00 0.00 179.25 178.41 1wfd h VAL 23 N -0.05 0.07 0.25 0.00 2.07 -1.36 0.49 116.25 117.72 1wfd h VAL 23 Ca 0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 1wfd h VAL 23 Cb 0.46 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1wfd h VAL 23 CO -0.90 0.00 -0.41 -0.33 0.02 0.00 0.00 177.57 175.94 1wfd h GLU 24 N -0.01 -0.68 -0.90 1.57 5.08 0.45 0.10 114.58 120.19 1wfd h GLU 24 Ca 0.41 0.05 0.22 0.00 -1.00 0.00 0.00 59.36 59.03 1wfd h GLU 24 Cb 0.65 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 29.93 1wfd h GLU 24 CO -0.94 -0.45 0.40 -0.07 -1.00 0.00 0.00 179.01 176.95 1wfd h LEU 25 N -0.70 0.35 -1.68 1.33 3.38 0.43 1.63 115.31 120.04 1wfd h LEU 25 Ca -0.03 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1wfd h LEU 25 Cb 0.65 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1wfd h LEU 25 CO -0.14 0.01 0.23 -0.78 0.09 0.00 0.00 178.44 177.85 1wfd h ASP 26 N 0.41 0.37 1.39 -0.43 3.58 0.95 0.38 116.42 123.07 1wfd h ASP 26 Ca 0.56 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.93 1wfd h ASP 26 Cb 1.06 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 1wfd h ASP 26 CO -0.52 0.27 -0.63 0.00 -2.88 0.00 0.00 179.24 175.48 1wfd h ALA 27 N 1.79 0.72 -0.01 -0.78 0.00 0.44 -3.13 119.26 118.30 1wfd h ALA 27 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wfd h ALA 27 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wfd h ALA 27 CO -0.03 0.42 -0.03 0.39 0.00 0.00 0.00 179.25 180.00 1wfd n GLU 28 N -3.04 1.15 -0.99 0.00 -0.58 0.26 -4.87 120.64 112.57 1wfd n GLU 28 Ca -0.00 -0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.35 1wfd n GLU 28 Cb 0.67 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 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 -0.58 -1.20 -2.84 1.62 3.41 -0.09 -4.90 113.62 109.03 1wfd n SER 29 Ca 0.20 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.50 1wfd n SER 29 Cb 0.24 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 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 -2.31 3.22 -0.29 4.33 1.74 0.11 -4.65 116.66 118.81 1wfd n ARG 30 Ca 0.00 -2.53 0.18 0.00 -0.77 0.00 0.00 57.85 54.73 1wfd n ARG 30 Cb 0.01 -2.35 0.46 0.00 -1.02 0.00 0.00 32.46 29.55 1wfd n ARG 30 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1wfd h TYR 31 N 3.73 0.71 0.00 -1.55 0.05 -1.87 0.99 116.97 119.03 1wfd h TYR 31 Ca 0.52 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.32 1wfd h TYR 31 Cb 0.64 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1wfd h TYR 31 CO 1.60 0.16 0.00 0.37 -1.05 0.00 0.00 178.16 179.24 1wfd h GLN 32 N 0.51 0.00 0.00 4.88 -0.00 -1.94 0.39 115.11 118.95 1wfd h GLN 32 Ca 0.52 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.90 1wfd h GLN 32 Cb 1.15 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.58 1wfd h GLN 32 CO -0.25 0.00 -2.03 1.04 0.00 0.00 0.00 178.83 177.59 1wfd n GLN 33 N -2.71 0.74 0.23 1.69 6.02 0.31 -4.31 117.38 119.35 1wfd n GLN 33 Ca -0.02 0.08 0.16 0.00 -0.01 0.00 0.00 57.00 57.20 1wfd n GLN 33 Cb 0.05 -1.37 0.65 0.00 1.02 0.00 0.00 30.24 30.59 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 0.17 1.00 0.27 -1.58 0.00 0.05 -2.45 119.26 116.72 1wfd h ALA 34 Ca -0.41 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1wfd h ALA 34 Cb 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1wfd h ALA 34 CO -0.04 0.00 -0.13 1.25 0.00 0.00 0.00 179.25 180.33 1wfd h LEU 35 N 0.00 -0.31 -0.51 0.00 7.12 -0.45 -0.37 115.31 120.80 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 0.42 0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 40.54 1wfd h LEU 35 CO 0.00 -0.06 -0.11 -0.37 -0.13 0.00 0.00 178.44 177.77 1wfd h VAL 36 N -0.69 0.51 0.10 1.05 -1.51 -1.73 0.29 116.25 114.26 1wfd h VAL 36 Ca -0.04 -0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1wfd h VAL 36 Cb 0.28 0.49 -0.05 0.00 -2.13 0.00 0.00 31.29 29.88 1wfd h VAL 36 CO 0.06 0.00 -0.41 0.00 -1.23 0.00 0.00 177.57 176.00 1wfd h TYR 38 N -0.63 0.65 -0.39 0.00 0.05 0.41 0.14 116.97 117.21 1wfd h TYR 38 Ca 0.03 0.04 -0.16 0.00 0.05 0.00 0.00 58.73 58.69 1wfd h TYR 38 Cb 0.66 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 1wfd h TYR 38 CO -0.37 0.04 -0.38 1.96 -1.05 0.00 0.00 178.16 178.37 1wfd h GLN 39 N 0.47 0.94 -0.85 4.88 1.08 0.94 -1.50 115.11 121.07 1wfd h GLN 39 Ca 0.50 -0.49 0.10 0.00 -1.45 0.00 0.00 58.65 57.31 1wfd h GLN 39 Cb 0.84 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 28.21 1wfd h GLN 39 CO -0.46 1.14 0.49 0.93 -0.95 0.00 0.00 178.83 179.99 1wfd h GLU 40 N 0.77 0.79 -0.09 1.46 4.39 0.43 0.11 114.58 122.43 1wfd h GLU 40 Ca 0.06 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 1wfd h GLU 40 Cb 0.97 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1wfd h GLU 40 CO 0.09 0.52 -0.28 0.78 -1.16 0.00 0.00 179.01 178.97 1wfd h GLY 41 N 0.81 0.38 0.26 -3.84 0.00 -1.02 -2.68 103.07 96.99 1wfd h GLY 41 Ca 0.41 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 47.28 1wfd h GLY 41 CO -0.25 0.44 -0.37 -2.22 0.00 0.00 0.00 176.54 174.14 1wfd h ILE 42 N -0.11 0.23 -0.87 2.60 2.04 -0.63 1.23 117.51 121.99 1wfd h ILE 42 Ca -0.01 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.02 1wfd h ILE 42 Cb 0.90 0.23 -0.10 0.00 -0.74 0.00 0.00 36.82 37.11 1wfd h ILE 42 CO 0.06 0.00 0.44 -0.78 0.00 0.00 0.00 178.15 177.87 1wfd h ASP 43 N -0.54 0.51 -0.09 1.72 1.82 -0.88 0.96 116.42 119.92 1wfd h ASP 43 Ca 0.05 0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.78 1wfd h ASP 43 Cb 0.61 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.65 1wfd h ASP 43 CO -0.28 0.18 -0.01 0.24 -1.61 0.00 0.00 179.24 177.76 1wfd h MET 44 N 0.59 0.16 0.20 0.28 2.86 -0.69 -2.92 114.93 115.41 1wfd h MET 44 Ca 0.50 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 58.07 1wfd h MET 44 Cb 0.77 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1wfd h MET 44 CO -0.40 0.46 -0.10 -0.07 1.06 0.00 0.00 176.91 177.85 1wfd h LEU 45 N -0.15 -0.24 -0.97 1.22 3.38 0.29 -1.20 115.31 117.65 1wfd h LEU 45 Ca 0.02 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.12 1wfd h LEU 45 Cb 0.39 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.07 1wfd h LEU 45 CO 0.01 -0.17 -0.48 0.18 0.09 0.00 0.00 178.44 178.07 1wfd n LEU 46 N -5.21 -0.84 -0.29 1.67 4.77 0.32 0.19 117.00 117.61 1wfd n LEU 46 Ca -0.09 1.71 0.01 0.00 -0.03 0.00 0.00 56.01 57.61 1wfd n LEU 46 Cb 0.13 -0.30 0.20 0.00 -2.33 0.00 0.00 43.42 41.13 1wfd n LEU 46 CO 0.34 -1.46 1.26 1.56 -1.33 0.00 0.00 177.39 177.77 1wfd h GLN 47 N 0.00 1.09 0.07 3.23 4.20 -1.30 0.08 115.11 122.49 1wfd h GLN 47 Ca 0.24 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1wfd h GLN 47 Cb 0.48 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1wfd h GLN 47 CO -0.93 0.72 -0.03 0.28 -0.67 0.00 0.00 178.83 178.19 1wfd h VAL 48 N 1.13 1.01 -0.86 -0.54 2.07 0.34 -2.40 116.25 116.99 1wfd h VAL 48 Ca 0.34 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.67 1wfd h VAL 48 Cb -0.04 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 1wfd h VAL 48 CO -0.09 0.07 0.52 0.25 0.02 0.00 0.00 177.57 178.33 1wfd h LEU 49 N -0.22 0.78 -1.41 2.57 6.46 0.20 0.13 115.31 123.83 1wfd h LEU 49 Ca -0.01 0.03 0.17 0.00 -0.12 0.00 0.00 57.88 57.95 1wfd h LEU 49 Cb 0.18 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 39.92 1wfd h LEU 49 CO 0.02 0.48 0.57 0.11 -0.62 0.00 0.00 178.44 178.99 1wfd h LYS 50 N 0.91 0.53 -1.42 1.25 1.79 -0.59 0.19 116.57 119.22 1wfd h LYS 50 Ca 0.39 -0.03 -0.68 0.00 -2.18 0.00 0.00 60.65 58.15 1wfd h LYS 50 Cb 0.27 -0.12 -0.33 0.00 -1.58 0.00 0.00 32.23 30.47 1wfd h LYS 50 CO -0.21 0.35 0.43 0.41 -1.08 0.00 0.00 179.45 179.35 1wfd n GLY 51 N -1.47 5.85 2.70 3.86 0.00 0.42 -4.86 105.19 111.68 1wfd n GLY 51 Ca 0.18 -2.50 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 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 -5.01 0.69 0.05 2.61 2.01 0.05 -4.97 115.64 111.07 1wfd s THR 52 Ca 0.55 -1.23 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 1wfd s THR 52 Cb 0.45 -1.51 -0.29 0.00 0.01 0.00 0.00 72.50 71.16 1wfd s THR 52 CO -0.18 -0.65 1.09 0.50 -0.69 0.00 0.00 174.62 174.69 1wfd h LYS 53 N 8.15 0.61 -4.93 4.92 1.63 -1.89 -3.42 116.57 121.63 1wfd h LYS 53 Ca -0.15 -0.80 -0.47 0.00 -0.85 0.00 0.00 60.65 58.38 1wfd h LYS 53 Cb 1.02 0.26 -0.09 0.00 -0.60 0.00 0.00 32.23 32.82 1wfd h LYS 53 CO 0.46 1.36 1.78 0.39 -3.45 0.00 0.00 179.45 179.99 1wfd n GLU 54 N -3.84 0.00 -0.32 1.90 -0.58 -1.26 -4.69 120.64 111.85 1wfd n GLU 54 Ca -0.14 0.00 0.21 0.00 -0.42 0.00 0.00 57.16 56.81 1wfd n GLU 54 Cb 0.96 -1.40 0.41 0.00 -0.57 0.00 0.00 31.44 30.83 1wfd n GLU 54 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1wfd h SER 55 N 11.69 0.08 0.76 1.62 4.64 -2.00 0.11 113.55 130.45 1wfd h SER 55 Ca -0.04 0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.48 1wfd h SER 55 Cb 1.27 0.29 0.01 0.00 -0.31 0.00 0.00 62.40 63.65 1wfd h SER 55 CO 1.41 -0.27 -0.36 0.28 -0.87 0.00 0.00 176.83 177.01 1wfd h SER 56 N 0.13 -0.86 -0.89 4.97 0.02 -1.97 -2.74 113.55 112.21 1wfd h SER 56 Ca 0.68 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.75 1wfd h SER 56 Cb 1.56 0.22 -0.12 0.00 0.14 0.00 0.00 62.40 64.20 1wfd h SER 56 CO -0.74 -0.54 -0.55 0.11 -1.14 0.00 0.00 176.83 173.97 1wfd h LYS 57 N -1.17 -0.07 -0.94 3.45 1.57 -1.24 0.87 116.57 119.04 1wfd h LYS 57 Ca -0.10 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 58.95 1wfd h LYS 57 Cb 0.78 0.02 -0.17 0.00 0.08 0.00 0.00 32.23 32.93 1wfd h LYS 57 CO 0.17 -0.04 0.12 0.00 -0.57 0.00 0.00 179.45 179.13 1wfd h ARG 58 N -0.07 0.06 0.46 3.15 3.08 -0.99 1.14 114.38 121.21 1wfd h ARG 58 Ca 0.17 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1wfd h ARG 58 Cb 0.47 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1wfd h ARG 58 CO -0.88 0.04 -0.31 0.00 -1.07 0.00 0.00 179.97 177.75 1wfd h VAL 60 N -0.74 0.56 0.18 0.00 2.07 0.14 0.23 116.25 118.68 1wfd h VAL 60 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1wfd h VAL 60 Cb 0.62 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1wfd h VAL 60 CO 0.03 0.00 -0.30 -0.07 0.02 0.00 0.00 177.57 177.25 1wfd h LEU 61 N -0.26 -0.87 -1.76 2.57 3.38 0.13 0.90 115.31 119.39 1wfd h LEU 61 Ca 0.07 0.08 0.35 0.00 0.09 0.00 0.00 57.88 58.48 1wfd h LEU 61 Cb 0.36 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1wfd h LEU 61 CO -0.21 -0.36 0.86 0.03 0.09 0.00 0.00 178.44 178.85 1wfd h ARG 62 N -0.51 0.11 0.03 1.13 3.08 0.89 1.67 114.38 120.78 1wfd h ARG 62 Ca -0.02 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.81 1wfd h ARG 62 Cb 0.47 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1wfd h ARG 62 CO -0.11 0.07 -0.97 1.15 -1.07 0.00 0.00 179.97 179.05 1wfd h THR 63 N 0.11 1.54 0.09 2.04 2.02 0.13 -2.70 112.91 116.14 1wfd h THR 63 Ca 0.64 -2.86 -0.00 0.00 0.77 0.00 0.00 66.41 64.95 1wfd h THR 63 Cb 2.24 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 71.28 1wfd h THR 63 CO -0.13 0.83 -0.04 0.11 0.37 0.00 0.00 175.52 176.65 1wfd h LYS 64 N 0.08 -0.12 -0.24 6.66 1.57 0.93 -1.87 116.57 123.58 1wfd h LYS 64 Ca -0.05 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1wfd h LYS 64 Cb 1.64 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.93 1wfd h LYS 64 CO 0.15 0.04 -0.30 0.82 -0.57 0.00 0.00 179.45 179.59 1wfd h ILE 65 N -1.02 0.00 -0.30 1.86 2.04 0.62 0.61 117.51 121.32 1wfd h ILE 65 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 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 -0.22 -1.28 0.00 0.00 0.00 178.15 176.67 1wfd h SER 66 N -0.21 -0.73 -0.95 1.72 0.87 -1.64 0.90 113.55 113.50 1wfd h SER 66 Ca 0.04 0.14 0.25 0.00 -1.23 0.00 0.00 61.79 60.99 1wfd h SER 66 Cb 0.32 0.36 -0.06 0.00 -0.44 0.00 0.00 62.40 62.58 1wfd h SER 66 CO -0.33 -0.26 0.65 1.23 -0.53 0.00 0.00 176.83 177.59 1wfd h GLY 67 N -0.20 0.54 1.02 5.77 0.00 -0.35 0.78 103.07 110.62 1wfd h GLY 67 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1wfd h GLY 67 CO -0.42 -0.03 -0.91 -0.97 0.00 0.00 0.00 176.54 174.22 1wfd h TYR 68 N 0.22 0.00 0.04 5.60 0.05 0.35 -3.31 116.97 119.92 1wfd h TYR 68 Ca 0.49 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 59.00 1wfd h TYR 68 Cb 1.54 0.00 0.02 0.00 1.01 0.00 0.00 36.73 39.29 1wfd h TYR 68 CO -0.00 0.00 -1.08 0.52 -1.05 0.00 0.00 178.16 176.55 1wfd h MET 69 N 0.00 0.57 0.44 4.88 2.86 0.71 -2.69 114.93 121.71 1wfd h MET 69 Ca 0.00 -0.67 -0.02 0.00 -2.06 0.00 0.00 59.70 56.95 1wfd h MET 69 Cb 0.92 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1wfd h MET 69 CO 0.00 1.27 -0.21 0.22 1.06 0.00 0.00 176.91 179.25 1wfd h ASP 70 N 0.30 -0.50 -0.93 1.22 1.82 -1.01 0.24 116.42 117.55 1wfd h ASP 70 Ca -0.13 -0.07 0.16 0.00 -0.39 0.00 0.00 57.03 56.60 1wfd h ASP 70 Cb 1.74 0.13 -0.08 0.00 0.68 0.00 0.00 39.33 41.80 1wfd h ASP 70 CO 0.20 -0.22 0.60 -0.09 -1.61 0.00 0.00 179.24 178.12 1wfd h ARG 71 N -0.78 0.68 0.62 0.28 9.65 -1.67 -0.98 114.38 122.19 1wfd h ARG 71 Ca -0.06 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.75 1wfd h ARG 71 Cb 0.54 -0.15 0.01 0.00 -1.39 0.00 0.00 29.97 28.97 1wfd h ARG 71 CO 0.10 0.45 -0.30 0.00 2.80 0.00 0.00 179.97 183.02 1wfd h ALA 72 N 1.60 -0.83 -0.14 2.80 0.00 -1.19 -2.68 119.26 118.82 1wfd h ALA 72 Ca 0.49 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1wfd h ALA 72 Cb 0.81 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1wfd h ALA 72 CO -0.25 -0.78 -0.11 0.93 0.00 0.00 0.00 179.25 179.05 1wfd h GLU 73 N -1.20 -0.03 -0.93 0.00 5.08 0.14 0.66 114.58 118.29 1wfd h GLU 73 Ca -0.09 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.45 1wfd h GLU 73 Cb 0.65 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.74 1wfd h GLU 73 CO 0.14 -0.02 -0.28 -1.71 -1.00 0.00 0.00 179.01 176.14 1wfd n ASN 74 N -3.32 -0.44 0.19 1.42 2.85 -0.43 0.77 115.26 116.30 1wfd n ASN 74 Ca -0.00 1.60 -0.10 0.00 -0.11 0.00 0.00 54.58 55.98 1wfd n ASN 74 Cb 0.05 -0.44 -0.05 0.00 1.24 0.00 0.00 39.78 40.59 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 0.00 -0.85 -1.44 2.04 -0.39 0.26 117.51 117.13 1wfd h ILE 75 Ca 0.40 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.38 1wfd h ILE 75 Cb 0.63 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.57 1wfd h ILE 75 CO -0.94 0.00 -0.41 0.11 0.00 0.00 0.00 178.15 176.90 1wfd h LYS 76 N -0.57 -0.07 -0.70 2.37 1.57 0.30 1.84 116.57 121.31 1wfd h LYS 76 Ca -0.05 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.87 1wfd h LYS 76 Cb 0.47 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.71 1wfd h LYS 76 CO 0.02 -0.05 0.24 0.87 -0.57 0.00 0.00 179.45 179.96 1wfd h LYS 77 N -0.07 0.37 -0.01 3.15 6.56 0.59 0.61 116.57 127.77 1wfd h LYS 77 Ca 0.27 -0.02 -0.10 0.00 -1.06 0.00 0.00 60.65 59.74 1wfd h LYS 77 Cb 0.56 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 1wfd h LYS 77 CO -0.87 0.24 -0.48 -0.92 -2.06 0.00 0.00 179.45 175.36 1wfd h TYR 78 N 0.38 0.02 0.00 -1.35 3.20 0.46 -2.28 116.97 117.40 1wfd h TYR 78 Ca 0.38 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 1wfd h TYR 78 Cb 0.57 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1wfd h TYR 78 CO -0.20 0.49 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.55 1wfd h LEU 79 N 0.01 0.00 -0.83 2.82 3.38 0.61 -1.59 115.31 119.72 1wfd h LEU 79 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1wfd h LEU 79 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1wfd h LEU 79 CO 0.06 0.19 -0.55 -0.78 0.09 0.00 0.00 178.44 177.45 1wfd h ASP 80 N 0.00 0.00 0.25 -0.43 3.58 0.62 0.60 116.42 121.04 1wfd h ASP 80 Ca -0.00 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.11 1wfd h ASP 80 Cb 0.92 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1wfd h ASP 80 CO 0.03 0.55 -1.72 1.56 -2.88 0.00 0.00 179.24 176.78 1wfd h GLN 81 N 0.00 0.34 0.00 0.28 4.20 -1.38 -3.33 115.11 115.23 1wfd h GLN 81 Ca -0.01 -0.59 -0.09 0.00 0.06 0.00 0.00 58.65 58.03 1wfd h GLN 81 Cb 1.03 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 1wfd h GLN 81 CO 0.07 1.24 -0.44 0.93 -0.67 0.00 0.00 178.83 179.96 1wfd h GLU 82 N 0.09 0.00 -0.66 1.46 4.39 -1.25 -2.72 114.58 115.90 1wfd h GLU 82 Ca -0.33 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.43 1wfd h GLU 82 Cb 2.08 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.69 1wfd h GLU 82 CO 0.17 0.44 0.44 0.87 -1.16 0.00 0.00 179.01 179.76 1wfd h LYS 83 N 0.00 0.66 0.00 2.33 1.57 -0.98 0.35 116.57 120.51 1wfd h LYS 83 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1wfd h LYS 83 Cb 0.86 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1wfd h LYS 83 CO 0.06 0.44 0.00 0.93 -0.57 0.00 0.00 179.45 180.30 1wfd h GLU 84 N 0.68 0.00 -1.70 3.15 5.08 -1.61 -3.02 114.58 117.15 1wfd h GLU 84 Ca 0.28 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.32 1wfd h GLU 84 Cb 0.24 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.36 1wfd h GLU 84 CO -0.09 0.00 0.32 -0.25 -1.00 0.00 0.00 179.01 177.99 1wfd n ASP 85 N -3.04 6.28 -4.16 1.42 9.92 0.12 -4.79 116.55 122.31 1wfd n ASP 85 Ca 0.01 -2.99 -0.29 0.00 -0.53 0.00 0.00 54.79 50.99 1wfd n ASP 85 Cb 0.32 -1.13 -0.06 0.00 -0.64 0.00 0.00 41.12 39.61 1wfd n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wfd n GLY 86 N 0.71 -0.18 3.07 0.44 0.00 -1.15 -4.93 105.19 103.16 1wfd n GLY 86 Ca 0.32 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 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 -7.00 2.58 0.13 1.61 1.02 -1.20 -4.92 119.74 111.98 1wfd s LYS 87 Ca 0.03 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1wfd s LYS 87 Cb -0.02 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1wfd s LYS 87 CO 0.95 -0.18 0.00 0.43 -0.92 0.00 0.00 175.35 175.62 1wfd n SER 88 N 4.58 -0.76 -3.96 2.83 7.64 -1.26 -4.24 113.62 118.45 1wfd n SER 88 Ca -0.19 0.24 -0.09 0.00 1.01 0.00 0.00 58.87 59.84 1wfd n SER 88 Cb 0.50 0.91 -0.09 0.00 -1.01 0.00 0.00 64.21 64.52 1wfd n SER 88 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfd s GLY 89 N -3.49 0.24 0.01 0.23 0.00 -1.26 -5.05 107.32 98.00 1wfd s GLY 89 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 44.72 43.77 1wfd s GLY 89 CO 0.00 -0.89 1.14 -0.56 0.00 0.00 0.00 173.10 172.79 1wfd h PRO 90 N 3.31 0.42 0.73 2.90 0.13 -2.01 -3.34 132.00 134.14 1wfd h PRO 90 Ca -0.33 -0.41 -0.03 0.00 -0.87 0.00 0.00 66.00 64.36 1wfd h PRO 90 Cb 1.18 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1wfd h PRO 90 CO 0.56 1.06 -0.43 1.03 -0.23 0.00 0.00 178.00 179.99 1wfd h SER 91 N -0.07 -1.06 -4.45 1.44 0.87 -2.06 -3.46 113.55 104.76 1wfd h SER 91 Ca -0.06 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1wfd h SER 91 Cb 1.22 0.30 -0.21 0.00 -0.44 0.00 0.00 62.40 63.28 1wfd h SER 91 CO 0.11 -0.67 0.43 -0.44 -0.53 0.00 0.00 176.83 175.73 1wfd s SER 92 N -4.26 -0.45 0.00 6.23 0.01 -1.25 -5.24 113.70 108.73 1wfd s SER 92 Ca -0.18 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1wfd s SER 92 Cb 0.03 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1wfd s SER 92 CO 0.61 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 174.41