#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 -1.83 -1.16 1.61 0.87 -2.14 -3.41 113.55 107.48 1wfd h SER 2 Ca 0.00 0.29 -0.53 0.00 -1.23 0.00 0.00 61.79 60.33 1wfd h SER 2 Cb 0.00 0.82 -0.04 0.00 -0.44 0.00 0.00 62.40 62.75 1wfd h SER 2 CO 0.00 -0.30 -0.34 -0.55 -0.53 0.00 0.00 176.83 175.11 1wfd s SER 3 N -5.32 4.87 0.00 6.23 0.15 -1.26 -5.00 113.70 113.38 1wfd s SER 3 Ca -0.13 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.58 1wfd s SER 3 Cb 0.13 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1wfd s SER 3 CO 0.65 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1wfd n GLY 4 N -1.65 0.00 3.99 9.45 0.00 -1.26 -5.17 105.19 110.55 1wfd n GLY 4 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1wfd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfd s SER 5 N 0.00 5.98 -0.24 1.61 0.01 -1.26 -5.12 113.70 114.68 1wfd s SER 5 Ca 0.00 -0.18 -0.29 0.00 1.31 0.00 0.00 55.95 56.79 1wfd s SER 5 Cb 0.00 -1.27 0.17 0.00 0.21 0.00 0.00 66.02 65.13 1wfd s SER 5 CO 0.00 -0.40 1.23 -0.94 0.41 0.00 0.00 173.24 173.54 1wfd s SER 6 N -4.16 -0.16 0.00 2.44 1.04 -1.26 -5.12 113.70 106.49 1wfd s SER 6 Ca 0.44 0.17 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1wfd s SER 6 Cb -0.09 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1wfd s SER 6 CO 0.31 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1wfd n GLY 7 N 0.61 1.13 4.13 7.32 0.00 -1.26 -5.01 105.19 112.11 1wfd n GLY 7 Ca -0.04 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.76 0.00 1.61 10.64 -1.26 -4.21 117.38 123.40 1wfd n GLN 8 Ca 0.00 0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 1wfd n GLN 8 Cb 0.00 -2.96 0.00 0.00 -0.86 0.00 0.00 30.24 26.42 1wfd n GLN 8 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wfd n ASP 9 N -2.40 0.00 -4.38 2.61 2.03 -1.26 -5.06 116.55 108.09 1wfd n ASP 9 Ca -0.25 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.61 1wfd n ASP 9 Cb 0.60 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.99 1wfd n ASP 9 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1wfd s SER 10 N 0.00 6.86 -0.11 1.67 0.01 -1.26 -4.79 113.70 116.08 1wfd s SER 10 Ca 0.00 -2.70 -0.10 0.00 1.31 0.00 0.00 55.95 54.45 1wfd s SER 10 Cb 0.00 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 1wfd s SER 10 CO 0.00 -0.69 -0.20 -0.67 0.41 0.00 0.00 173.24 172.09 1wfd n ASP 11 N 4.70 1.30 -0.20 2.44 -0.08 -1.26 -4.43 116.55 119.02 1wfd n ASP 11 Ca 0.21 0.32 0.16 0.00 -1.51 0.00 0.00 54.79 53.97 1wfd n ASP 11 Cb 0.46 -0.69 0.50 0.00 2.34 0.00 0.00 41.12 43.72 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 -0.68 0.42 -0.79 1.67 0.02 -1.92 -2.13 113.55 110.14 1wfd h SER 12 Ca 0.00 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1wfd h SER 12 Cb 0.58 -0.05 -0.11 0.00 0.14 0.00 0.00 62.40 62.95 1wfd h SER 12 CO 0.00 0.20 -0.53 0.74 -1.14 0.00 0.00 176.83 176.10 1wfd h THR 13 N 0.44 0.02 -1.00 -2.27 2.02 -1.93 0.99 112.91 111.17 1wfd h THR 13 Ca 0.41 0.00 0.40 0.00 0.77 0.00 0.00 66.41 67.99 1wfd h THR 13 Cb 0.94 0.02 -0.18 0.00 -1.74 0.00 0.00 68.15 67.19 1wfd h THR 13 CO -0.14 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.23 1wfd h ALA 14 N 0.51 2.06 -0.04 6.16 0.00 -1.59 1.57 119.26 127.93 1wfd h ALA 14 Ca 0.17 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1wfd h ALA 14 Cb 0.51 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1wfd h ALA 14 CO -0.82 -0.91 -0.02 0.00 0.00 0.00 0.00 179.25 177.50 1wfd h ALA 15 N 2.00 0.06 -0.99 0.00 0.00 0.82 0.44 119.26 121.57 1wfd h ALA 15 Ca 0.82 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.65 1wfd h ALA 15 Cb 2.13 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.82 1wfd h ALA 15 CO -0.78 -0.21 0.61 0.28 0.00 0.00 0.00 179.25 179.15 1wfd h VAL 16 N -0.31 0.83 0.37 0.00 2.07 0.36 1.49 116.25 121.06 1wfd h VAL 16 Ca 0.01 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1wfd h VAL 16 Cb 0.45 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1wfd h VAL 16 CO 0.01 0.16 -0.18 0.00 0.02 0.00 0.00 177.57 177.58 1wfd h ALA 17 N 1.58 -0.52 -1.01 1.67 0.00 -0.04 0.33 119.26 121.27 1wfd h ALA 17 Ca 0.52 -0.11 0.25 0.00 0.00 0.00 0.00 54.91 55.58 1wfd h ALA 17 Cb 0.65 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 1wfd h ALA 17 CO -0.31 -0.48 0.66 -0.24 0.00 0.00 0.00 179.25 178.87 1wfd h VAL 18 N -1.07 0.56 -0.27 0.00 3.04 0.30 0.71 116.25 119.52 1wfd h VAL 18 Ca -0.05 -0.13 -0.15 0.00 -1.01 0.00 0.00 66.70 65.35 1wfd h VAL 18 Cb 0.38 0.14 -0.00 0.00 -2.01 0.00 0.00 31.29 29.80 1wfd h VAL 18 CO 0.08 0.07 -0.44 -0.07 -1.01 0.00 0.00 177.57 176.21 1wfd h LEU 19 N 0.38 0.85 -0.09 3.16 3.38 0.21 -0.66 115.31 122.54 1wfd h LEU 19 Ca 0.56 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wfd h LEU 19 Cb 1.46 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1wfd h LEU 19 CO -0.25 1.21 0.05 0.50 0.09 0.00 0.00 178.44 180.03 1wfd h LYS 20 N 0.52 0.12 0.37 1.13 1.63 0.24 -2.10 116.57 118.48 1wfd h LYS 20 Ca 0.02 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1wfd h LYS 20 Cb 1.03 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1wfd h LYS 20 CO 0.10 0.14 -0.21 0.00 -3.45 0.00 0.00 179.45 176.02 1wfd h ARG 21 N 0.07 -0.53 -0.72 1.90 2.47 -0.34 -2.83 114.38 114.39 1wfd h ARG 21 Ca 0.03 0.04 0.07 0.00 -1.26 0.00 0.00 59.98 58.86 1wfd h ARG 21 Cb 0.05 0.12 -0.10 0.00 -1.65 0.00 0.00 29.97 28.40 1wfd h ARG 21 CO -0.01 -0.36 -0.52 0.00 0.56 0.00 0.00 179.97 179.65 1wfd h ALA 22 N 0.05 -0.58 -0.98 0.04 0.00 -0.99 0.25 119.26 117.06 1wfd h ALA 22 Ca -0.04 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1wfd h ALA 22 Cb 0.45 1.25 -0.14 0.00 0.00 0.00 0.00 17.79 19.35 1wfd h ALA 22 CO 0.05 -0.91 -0.46 0.28 0.00 0.00 0.00 179.25 178.22 1wfd n VAL 23 N -5.05 -0.57 0.05 0.00 0.31 -0.80 0.41 118.33 112.68 1wfd n VAL 23 Ca 0.00 2.32 -0.16 0.00 -0.01 0.00 0.00 64.34 66.49 1wfd n VAL 23 Cb 0.26 -2.98 -0.10 0.00 -0.91 0.00 0.00 33.84 30.11 1wfd n VAL 23 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wfd h GLU 24 N 0.00 -0.65 -0.83 5.55 4.39 -0.34 0.13 114.58 122.83 1wfd h GLU 24 Ca 0.27 0.04 0.20 0.00 0.34 0.00 0.00 59.36 60.21 1wfd h GLU 24 Cb 0.51 0.15 -0.12 0.00 -0.10 0.00 0.00 28.75 29.19 1wfd h GLU 24 CO -0.95 -0.43 0.30 -0.07 -1.16 0.00 0.00 179.01 176.70 1wfd h LEU 25 N -0.67 0.19 -1.44 1.33 3.38 0.11 1.31 115.31 119.52 1wfd h LEU 25 Ca 0.01 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1wfd h LEU 25 Cb 0.72 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1wfd h LEU 25 CO -0.36 -0.02 0.42 -0.78 0.09 0.00 0.00 178.44 177.79 1wfd h ASP 26 N 0.35 0.62 1.40 -0.43 3.58 0.18 0.63 116.42 122.75 1wfd h ASP 26 Ca 0.50 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.82 1wfd h ASP 26 Cb 0.91 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 1wfd h ASP 26 CO -0.53 0.42 -0.61 0.00 -2.88 0.00 0.00 179.24 175.65 1wfd h ALA 27 N 1.64 0.63 -0.07 -0.78 0.00 0.38 -3.02 119.26 118.03 1wfd h ALA 27 Ca 0.26 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wfd h ALA 27 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wfd h ALA 27 CO -0.08 0.72 0.00 0.39 0.00 0.00 0.00 179.25 180.28 1wfd n GLU 28 N -3.23 1.38 -0.90 0.00 -0.58 0.31 -4.86 120.64 112.77 1wfd n GLU 28 Ca 0.01 -0.56 0.00 0.00 -0.42 0.00 0.00 57.16 56.19 1wfd n GLU 28 Cb 0.77 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 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 -0.24 -1.15 -3.17 1.62 3.41 0.08 -4.88 113.62 109.29 1wfd n SER 29 Ca 0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.42 1wfd n SER 29 Cb 0.21 -0.91 -0.04 0.00 -0.26 0.00 0.00 64.21 63.21 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 -1.96 3.79 -0.34 4.33 1.74 0.20 -4.65 116.66 119.77 1wfd n ARG 30 Ca 0.00 -2.63 0.04 0.00 -0.77 0.00 0.00 57.85 54.48 1wfd n ARG 30 Cb 0.04 -2.58 0.18 0.00 -1.02 0.00 0.00 32.46 29.08 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 4.43 1.07 0.00 -1.55 0.05 -1.87 0.38 116.97 119.48 1wfd h TYR 31 Ca 0.69 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.50 1wfd h TYR 31 Cb 0.45 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.85 1wfd h TYR 31 CO 1.72 0.50 0.24 0.37 -1.05 0.00 0.00 178.16 179.93 1wfd h GLN 32 N 1.01 0.00 0.00 4.88 -0.00 -1.94 0.82 115.11 119.88 1wfd h GLN 32 Ca 0.43 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.80 1wfd h GLN 32 Cb 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.72 1wfd h GLN 32 CO -0.21 0.00 -2.08 1.04 0.00 0.00 0.00 178.83 177.58 1wfd n GLN 33 N -2.78 0.70 0.26 1.69 6.02 0.68 -4.31 117.38 119.64 1wfd n GLN 33 Ca -0.02 0.09 0.14 0.00 -0.01 0.00 0.00 57.00 57.20 1wfd n GLN 33 Cb 0.29 -1.38 0.68 0.00 1.02 0.00 0.00 30.24 30.84 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 0.15 1.09 0.35 -1.58 0.00 0.98 -1.95 119.26 118.30 1wfd h ALA 34 Ca -0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1wfd h ALA 34 Cb 1.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1wfd h ALA 34 CO -0.05 0.14 -0.17 1.25 0.00 0.00 0.00 179.25 180.42 1wfd h LEU 35 N 0.00 -0.40 -0.44 0.00 7.12 0.40 0.15 115.31 122.15 1wfd h LEU 35 Ca -0.00 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.11 1wfd h LEU 35 Cb 0.49 0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 40.64 1wfd h LEU 35 CO 0.01 -0.21 -0.06 -0.37 -0.13 0.00 0.00 178.44 177.69 1wfd h VAL 36 N -0.62 0.61 -0.02 1.05 -1.51 -1.73 0.33 116.25 114.35 1wfd h VAL 36 Ca -0.05 -0.02 0.03 0.00 -1.23 0.00 0.00 66.70 65.44 1wfd h VAL 36 Cb 0.36 0.56 -0.06 0.00 -2.13 0.00 0.00 31.29 30.02 1wfd h VAL 36 CO 0.08 0.01 -0.43 0.00 -1.23 0.00 0.00 177.57 176.00 1wfd h TYR 38 N -0.57 1.01 -0.26 0.00 0.05 0.44 -0.32 116.97 117.31 1wfd h TYR 38 Ca 0.05 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.76 1wfd h TYR 38 Cb 0.66 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1wfd h TYR 38 CO -0.44 0.33 -0.20 1.96 -1.05 0.00 0.00 178.16 178.75 1wfd h GLN 39 N 0.81 0.59 -0.72 4.88 1.08 0.17 -1.05 115.11 120.89 1wfd h GLN 39 Ca 0.52 -0.29 0.09 0.00 -1.45 0.00 0.00 58.65 57.51 1wfd h GLN 39 Cb 0.73 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.09 1wfd h GLN 39 CO -0.29 0.88 0.37 0.93 -0.95 0.00 0.00 178.83 179.77 1wfd h GLU 40 N 0.32 0.61 0.20 1.46 5.08 0.31 0.14 114.58 122.70 1wfd h GLU 40 Ca 0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1wfd h GLU 40 Cb 0.74 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1wfd h GLU 40 CO 0.05 0.41 -0.10 0.78 -1.00 0.00 0.00 179.01 179.15 1wfd h GLY 41 N 0.63 -0.29 -0.10 -3.84 0.00 -1.08 -2.07 103.07 96.32 1wfd h GLY 41 Ca 0.35 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.84 1wfd h GLY 41 CO -0.25 -0.10 -0.40 -2.22 0.00 0.00 0.00 176.54 173.56 1wfd h ILE 42 N -0.67 0.16 -0.66 2.60 2.04 -0.82 1.07 117.51 121.24 1wfd h ILE 42 Ca -0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.97 1wfd h ILE 42 Cb 0.48 0.16 -0.10 0.00 -0.74 0.00 0.00 36.82 36.62 1wfd h ILE 42 CO 0.05 0.00 0.10 -0.78 0.00 0.00 0.00 178.15 177.52 1wfd h ASP 43 N -0.39 -0.10 0.30 1.72 1.82 -0.77 0.83 116.42 119.84 1wfd h ASP 43 Ca 0.11 0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 1wfd h ASP 43 Cb 0.59 0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.82 1wfd h ASP 43 CO -0.47 -0.06 -0.15 0.24 -1.61 0.00 0.00 179.24 177.19 1wfd h MET 44 N 0.21 -0.39 -0.14 0.28 2.86 -0.11 -2.74 114.93 114.90 1wfd h MET 44 Ca 0.36 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 58.07 1wfd h MET 44 Cb 0.58 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.29 1wfd h MET 44 CO -0.49 -0.18 -0.15 -0.07 1.06 0.00 0.00 176.91 177.07 1wfd h LEU 45 N -0.53 -0.47 -0.99 1.22 3.38 0.22 -0.53 115.31 117.60 1wfd h LEU 45 Ca -0.04 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.12 1wfd h LEU 45 Cb 0.39 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 41.24 1wfd h LEU 45 CO 0.07 -0.20 -0.53 0.18 0.09 0.00 0.00 178.44 178.05 1wfd n LEU 46 N -5.30 -0.94 -0.20 1.67 4.77 0.28 0.19 117.00 117.47 1wfd n LEU 46 Ca -0.03 1.75 0.04 0.00 -0.03 0.00 0.00 56.01 57.74 1wfd n LEU 46 Cb 0.22 -0.27 0.30 0.00 -2.33 0.00 0.00 43.42 41.33 1wfd n LEU 46 CO 0.22 -1.46 1.23 1.56 -1.33 0.00 0.00 177.39 177.60 1wfd h GLN 47 N 0.00 0.86 0.28 3.23 4.20 -1.10 -0.93 115.11 121.65 1wfd h GLN 47 Ca 0.21 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1wfd h GLN 47 Cb 0.46 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1wfd h GLN 47 CO -0.94 0.57 -0.13 0.28 -0.67 0.00 0.00 178.83 177.93 1wfd h VAL 48 N 0.89 0.77 -0.60 -0.54 2.07 0.37 -2.86 116.25 116.34 1wfd h VAL 48 Ca 0.30 -0.44 0.12 0.00 0.82 0.00 0.00 66.70 67.51 1wfd h VAL 48 Cb 0.09 1.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.77 1wfd h VAL 48 CO -0.09 0.09 0.01 0.25 0.02 0.00 0.00 177.57 177.85 1wfd h LEU 49 N -0.61 -0.24 -1.39 2.57 6.46 0.25 1.17 115.31 123.52 1wfd h LEU 49 Ca -0.04 0.15 0.28 0.00 -0.12 0.00 0.00 57.88 58.15 1wfd h LEU 49 Cb 0.44 0.25 -0.09 0.00 -0.73 0.00 0.00 40.66 40.53 1wfd h LEU 49 CO 0.06 -0.10 0.69 0.11 -0.62 0.00 0.00 178.44 178.58 1wfd h LYS 50 N 0.13 0.35 0.12 1.25 1.79 -1.04 -0.19 116.57 118.98 1wfd h LYS 50 Ca 0.31 -0.02 -0.27 0.00 -2.18 0.00 0.00 60.65 58.49 1wfd h LYS 50 Cb 0.50 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1wfd h LYS 50 CO -0.50 0.23 -1.39 0.78 -1.08 0.00 0.00 179.45 177.48 1wfd h GLY 51 N 0.36 0.28 -7.09 3.86 0.00 0.47 -3.45 103.07 97.50 1wfd h GLY 51 Ca 0.61 -0.73 -0.62 0.00 0.00 0.00 0.00 47.33 46.59 1wfd h GLY 51 CO -0.29 0.64 1.52 2.41 0.00 0.00 0.00 176.54 180.81 1wfd n THR 52 N -3.92 0.07 0.07 4.70 -1.04 0.34 -4.75 114.28 109.75 1wfd n THR 52 Ca -0.24 -0.23 0.01 0.00 -2.04 0.00 0.00 64.05 61.54 1wfd n THR 52 Cb 0.90 -1.33 -0.04 0.00 -1.82 0.00 0.00 70.33 68.04 1wfd n THR 52 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1wfd h LYS 53 N 12.74 0.00 -6.06 -2.82 1.63 -1.88 -3.44 116.57 116.75 1wfd h LYS 53 Ca -0.18 0.00 -0.73 0.00 -0.85 0.00 0.00 60.65 58.89 1wfd h LYS 53 Cb 1.33 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 1wfd h LYS 53 CO 1.14 0.39 1.14 0.39 -3.45 0.00 0.00 179.45 179.06 1wfd n GLU 54 N -3.03 0.91 0.29 1.90 -0.58 -1.26 -4.77 120.64 114.10 1wfd n GLU 54 Ca -0.05 0.30 0.16 0.00 -0.42 0.00 0.00 57.16 57.15 1wfd n GLU 54 Cb 0.80 -2.11 0.93 0.00 -0.57 0.00 0.00 31.44 30.50 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 9.16 0.00 0.00 1.62 4.64 -2.00 -0.93 113.55 126.04 1wfd h SER 55 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1wfd h SER 55 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1wfd h SER 55 CO 1.00 0.00 -0.17 0.77 -0.87 0.00 0.00 176.83 177.56 1wfd h SER 56 N 0.00 0.00 -0.99 4.97 4.64 -1.98 -3.33 113.55 116.86 1wfd h SER 56 Ca 0.01 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.46 1wfd h SER 56 Cb 0.04 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.99 1wfd h SER 56 CO -0.00 0.37 -0.46 0.29 -0.87 0.00 0.00 176.83 176.16 1wfd n LYS 57 N -3.58 -0.31 -0.34 4.77 5.02 -1.17 0.13 118.16 122.69 1wfd n LYS 57 Ca -0.02 1.51 0.13 0.00 -2.02 0.00 0.00 58.31 57.90 1wfd n LYS 57 Cb 0.09 -2.23 0.26 0.00 -0.02 0.00 0.00 35.03 33.13 1wfd n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wfd h ARG 58 N 0.00 0.01 0.22 1.97 3.08 -1.36 1.59 114.38 119.89 1wfd h ARG 58 Ca 0.28 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1wfd h ARG 58 Cb 0.52 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1wfd h ARG 58 CO -0.96 0.01 -0.18 0.00 -1.07 0.00 0.00 179.97 177.76 1wfd h VAL 60 N -0.42 0.71 0.07 0.00 2.07 0.15 -0.70 116.25 118.13 1wfd h VAL 60 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1wfd h VAL 60 Cb 0.38 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1wfd h VAL 60 CO -0.02 0.00 -0.52 -0.07 0.02 0.00 0.00 177.57 176.97 1wfd h LEU 61 N -0.26 -1.59 -1.96 2.57 3.38 0.22 0.42 115.31 118.08 1wfd h LEU 61 Ca 0.02 0.17 0.29 0.00 0.09 0.00 0.00 57.88 58.45 1wfd h LEU 61 Cb 0.27 0.59 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1wfd h LEU 61 CO -0.06 -0.54 0.76 0.03 0.09 0.00 0.00 178.44 178.73 1wfd h ARG 62 N -0.71 0.00 0.00 1.13 3.08 0.31 1.59 114.38 119.78 1wfd h ARG 62 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1wfd h ARG 62 Cb 0.73 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 1wfd h ARG 62 CO -0.31 0.00 -0.83 1.15 -1.07 0.00 0.00 179.97 178.91 1wfd h THR 63 N 0.00 1.48 0.00 2.04 2.02 0.12 -2.82 112.91 115.74 1wfd h THR 63 Ca 0.48 -2.98 -0.02 0.00 0.77 0.00 0.00 66.41 64.66 1wfd h THR 63 Cb 2.00 2.66 -0.00 0.00 -1.74 0.00 0.00 68.15 71.07 1wfd h THR 63 CO -0.01 0.82 -0.17 0.11 0.37 0.00 0.00 175.52 176.64 1wfd h LYS 64 N 0.00 0.00 -0.07 6.66 1.57 0.59 -2.41 116.57 122.90 1wfd h LYS 64 Ca -0.01 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1wfd h LYS 64 Cb 1.59 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.87 1wfd h LYS 64 CO 0.11 0.60 -0.26 0.82 -0.57 0.00 0.00 179.45 180.16 1wfd h ILE 65 N -1.00 0.00 -0.62 1.86 2.04 0.20 0.60 117.51 120.59 1wfd h ILE 65 Ca -0.04 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.93 1wfd h ILE 65 Cb 0.67 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.67 1wfd h ILE 65 CO -0.02 0.00 0.18 -1.28 0.00 0.00 0.00 178.15 177.02 1wfd h SER 66 N -0.27 0.09 -0.67 1.72 0.87 -1.68 0.31 113.55 113.93 1wfd h SER 66 Ca 0.02 0.10 0.13 0.00 -1.23 0.00 0.00 61.79 60.81 1wfd h SER 66 Cb 0.32 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 1wfd h SER 66 CO -0.21 0.05 0.45 1.23 -0.53 0.00 0.00 176.83 177.82 1wfd h GLY 67 N 0.32 0.58 0.77 5.77 0.00 -0.72 0.47 103.07 110.27 1wfd h GLY 67 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1wfd h GLY 67 CO -0.38 0.07 -0.41 -1.72 0.00 0.00 0.00 176.54 174.10 1wfd n TYR 68 N -4.46 0.00 0.03 5.60 4.01 0.20 -3.70 117.16 118.83 1wfd n TYR 68 Ca 0.12 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.65 1wfd n TYR 68 Cb 0.48 -0.21 -0.14 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.39 0.30 -0.57 -0.72 2.86 0.31 -3.07 114.93 114.43 1wfd h MET 69 Ca 0.00 -0.51 -0.05 0.00 -2.06 0.00 0.00 59.70 57.08 1wfd h MET 69 Cb 0.50 0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1wfd h MET 69 CO 0.00 1.21 0.17 0.22 1.06 0.00 0.00 176.91 179.57 1wfd h ASP 70 N 0.08 0.84 -0.34 1.22 3.58 -1.07 0.08 116.42 120.81 1wfd h ASP 70 Ca -0.38 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 56.82 1wfd h ASP 70 Cb 2.06 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.87 1wfd h ASP 70 CO 0.12 0.84 0.09 -0.09 -2.88 0.00 0.00 179.24 177.32 1wfd h ARG 71 N 0.81 0.54 0.14 0.28 9.65 -1.71 -1.57 114.38 122.52 1wfd h ARG 71 Ca 0.18 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1wfd h ARG 71 Cb 0.30 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1wfd h ARG 71 CO -0.00 0.58 -0.14 0.00 2.80 0.00 0.00 179.97 183.21 1wfd h ALA 72 N 0.93 -0.27 0.02 2.80 0.00 -1.40 -1.59 119.26 119.75 1wfd h ALA 72 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wfd h ALA 72 Cb 0.28 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wfd h ALA 72 CO -0.00 -0.67 -0.11 0.93 0.00 0.00 0.00 179.25 179.40 1wfd h GLU 73 N -0.30 -0.15 -0.96 0.00 5.08 -0.87 0.77 114.58 118.16 1wfd h GLU 73 Ca 0.00 0.01 0.36 0.00 -1.00 0.00 0.00 59.36 58.73 1wfd h GLU 73 Cb 0.28 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 29.39 1wfd h GLU 73 CO -0.03 -0.10 0.37 0.09 -1.00 0.00 0.00 179.01 178.34 1wfd n ASN 74 N -3.09 0.20 0.24 1.42 3.02 -0.60 0.13 115.26 116.58 1wfd n ASN 74 Ca -0.02 1.60 -0.10 0.00 -0.03 0.00 0.00 54.58 56.03 1wfd n ASN 74 Cb 0.09 -0.72 -0.05 0.00 -0.61 0.00 0.00 39.78 38.49 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 -0.64 2.41 2.04 -0.11 -1.11 117.51 120.10 1wfd h ILE 75 Ca 0.74 -0.21 0.13 0.00 1.00 0.00 0.00 64.86 66.52 1wfd h ILE 75 Cb 1.86 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.82 1wfd h ILE 75 CO -0.79 0.00 -0.20 0.11 0.00 0.00 0.00 178.15 177.27 1wfd h LYS 76 N -0.85 -0.04 -0.52 2.37 1.57 0.43 2.02 116.57 121.56 1wfd h LYS 76 Ca -0.07 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.85 1wfd h LYS 76 Cb 0.49 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1wfd h LYS 76 CO 0.11 -0.02 0.37 0.87 -0.57 0.00 0.00 179.45 180.20 1wfd h LYS 77 N -0.04 0.09 0.00 3.15 6.56 0.11 1.08 116.57 127.53 1wfd h LYS 77 Ca 0.30 -0.01 -0.12 0.00 -1.06 0.00 0.00 60.65 59.76 1wfd h LYS 77 Cb 0.50 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 1wfd h LYS 77 CO -0.68 0.06 -1.10 -0.92 -2.06 0.00 0.00 179.45 174.75 1wfd h TYR 78 N 0.09 0.00 0.23 -1.35 3.20 0.34 -3.24 116.97 116.24 1wfd h TYR 78 Ca 0.25 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.80 1wfd h TYR 78 Cb 0.86 0.00 0.04 0.00 1.54 0.00 0.00 36.73 39.16 1wfd h TYR 78 CO -0.00 0.44 -1.39 -0.07 -1.64 0.00 0.00 178.16 175.50 1wfd h LEU 79 N 0.00 0.83 -0.73 2.82 3.38 0.61 -2.36 115.31 119.85 1wfd h LEU 79 Ca -0.10 -0.91 0.04 0.00 0.09 0.00 0.00 57.88 57.00 1wfd h LEU 79 Cb 1.42 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 1wfd h LEU 79 CO 0.04 1.67 0.45 0.44 0.09 0.00 0.00 178.44 181.14 1wfd h ASP 80 N 0.12 0.73 -0.47 -0.43 5.19 0.88 1.47 116.42 123.91 1wfd h ASP 80 Ca -0.24 0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.05 1wfd h ASP 80 Cb 2.09 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 41.43 1wfd h ASP 80 CO 0.26 0.50 -0.19 0.06 -3.12 0.00 0.00 179.24 176.76 1wfd h GLN 81 N 0.87 0.96 0.00 3.56 3.07 -1.62 0.98 115.11 122.94 1wfd h GLN 81 Ca 0.30 -0.40 -0.11 0.00 0.09 0.00 0.00 58.65 58.53 1wfd h GLN 81 Cb 0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.57 1wfd h GLN 81 CO -0.13 1.07 -0.53 0.93 0.09 0.00 0.00 178.83 180.26 1wfd h GLU 82 N 0.81 0.00 0.01 0.06 5.08 -0.77 -2.13 114.58 117.64 1wfd h GLU 82 Ca 0.11 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1wfd h GLU 82 Cb 0.76 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1wfd h GLU 82 CO 0.06 0.53 -0.28 -0.22 -1.00 0.00 0.00 179.01 178.10 1wfd h LYS 83 N 0.00 0.02 0.00 2.33 3.64 0.23 -3.39 116.57 119.40 1wfd h LYS 83 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1wfd h LYS 83 Cb 1.03 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1wfd h LYS 83 CO 0.07 1.02 0.00 0.39 -2.27 0.00 0.00 179.45 178.65 1wfd n GLU 84 N -4.54 0.00 -3.19 1.90 1.02 0.34 -4.68 120.64 111.48 1wfd n GLU 84 Ca -0.14 0.53 -0.15 0.00 -0.02 0.00 0.00 57.16 57.39 1wfd n GLU 84 Cb 0.54 -1.39 -0.03 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.93 -1.35 -4.25 1.62 2.03 -0.80 0.32 116.55 112.18 1wfd n ASP 85 Ca 0.00 -0.09 -0.31 0.00 0.52 0.00 0.00 54.79 54.91 1wfd n ASP 85 Cb 0.00 -1.26 -0.08 0.00 -0.72 0.00 0.00 41.12 39.06 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 -0.70 -0.18 3.13 0.27 0.00 -1.26 -4.90 105.19 101.55 1wfd n GLY 86 Ca 0.04 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -7.26 2.14 0.02 1.61 1.02 0.15 -5.07 119.74 112.35 1wfd s LYS 87 Ca 0.03 -1.56 -0.05 0.00 0.02 0.00 0.00 55.97 54.42 1wfd s LYS 87 Cb -0.02 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1wfd s LYS 87 CO 0.98 -0.84 0.08 -1.12 -0.92 0.00 0.00 175.35 173.54 1wfd s SER 88 N 1.43 0.14 1.17 2.83 0.01 -1.26 -4.97 113.70 113.05 1wfd s SER 88 Ca 0.02 -0.40 -0.16 0.00 1.31 0.00 0.00 55.95 56.72 1wfd s SER 88 Cb -0.21 0.19 0.27 0.00 0.21 0.00 0.00 66.02 66.48 1wfd s SER 88 CO -0.03 -0.41 1.05 -0.83 0.41 0.00 0.00 173.24 173.43 1wfd s GLY 89 N -1.69 1.53 -1.09 3.44 0.00 -1.26 -4.82 107.32 103.43 1wfd s GLY 89 Ca -0.11 -0.50 -0.07 0.00 0.00 0.00 0.00 44.72 44.03 1wfd s GLY 89 CO -0.01 0.27 2.52 -1.55 0.00 0.00 0.00 173.10 174.33 1wfd n PRO 90 N -4.78 2.65 -3.80 2.90 -0.04 -1.26 -4.73 135.00 125.94 1wfd n PRO 90 Ca 0.07 -1.67 -0.34 0.00 -0.04 0.00 0.00 63.50 61.52 1wfd n PRO 90 Cb 0.57 -2.52 -0.11 0.00 -0.04 0.00 0.00 33.50 31.40 1wfd n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfd s SER 91 N 2.80 4.94 -0.18 3.54 0.15 -1.26 -4.89 113.70 118.81 1wfd s SER 91 Ca 0.52 -3.07 -0.16 0.00 0.70 0.00 0.00 55.95 53.95 1wfd s SER 91 Cb 0.15 -1.77 -0.06 0.00 -1.71 0.00 0.00 66.02 62.63 1wfd s SER 91 CO -0.04 -0.28 -0.30 -1.20 1.20 0.00 0.00 173.24 172.61 1wfd n SER 92 N 3.13 1.91 0.00 5.45 7.64 -1.26 -5.17 113.62 125.32 1wfd n SER 92 Ca 0.09 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1wfd n SER 92 Cb 0.35 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1wfd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64