#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 0.40 -2.81 1.61 7.64 -1.26 -5.11 113.62 114.08 1wfd n SER 2 Ca 0.00 0.15 -0.02 0.00 1.01 0.00 0.00 58.87 60.01 1wfd n SER 2 Cb 0.00 -0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.13 1wfd n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfd n SER 3 N -3.22 -5.34 0.00 6.43 2.88 -1.26 -5.05 113.62 108.06 1wfd n SER 3 Ca 0.00 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1wfd n SER 3 Cb 0.14 -4.18 0.00 0.00 -0.75 0.00 0.00 64.21 59.42 1wfd n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfd n GLY 4 N 1.37 0.78 1.36 0.46 0.00 -1.26 -5.13 105.19 102.77 1wfd n GLY 4 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -7.35 -4.63 1.61 2.88 -1.26 -4.88 113.62 99.98 1wfd n SER 5 Ca 0.00 1.60 -0.35 0.00 -1.33 0.00 0.00 58.87 58.79 1wfd n SER 5 Cb 0.00 -4.35 -0.10 0.00 -0.75 0.00 0.00 64.21 59.01 1wfd n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfd s SER 6 N -5.39 5.66 0.00 -3.46 0.01 -1.26 -4.94 113.70 104.32 1wfd s SER 6 Ca 0.00 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1wfd s SER 6 Cb 0.00 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1wfd s SER 6 CO 0.00 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1wfd n GLY 7 N 3.62 0.79 3.47 3.44 0.00 -1.26 -5.08 105.19 110.18 1wfd n GLY 7 Ca -0.16 0.11 -0.48 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 1.14 -2.69 1.61 6.02 -1.26 -4.75 117.38 117.44 1wfd n GLN 8 Ca 0.00 0.29 -0.07 0.00 -0.01 0.00 0.00 57.00 57.21 1wfd n GLN 8 Cb 0.00 -2.59 0.08 0.00 1.02 0.00 0.00 30.24 28.75 1wfd n GLN 8 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1wfd n ASP 9 N 10.59 -0.35 -4.63 1.08 9.92 -1.26 -5.10 116.55 126.80 1wfd n ASP 9 Ca 0.41 -2.51 -0.62 0.00 -0.53 0.00 0.00 54.79 51.54 1wfd n ASP 9 Cb 0.27 0.30 -0.09 0.00 -0.64 0.00 0.00 41.12 40.96 1wfd n ASP 9 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1wfd n SER 10 N -0.47 1.62 0.00 -2.24 3.41 -1.26 -4.84 113.62 109.84 1wfd n SER 10 Ca 0.01 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 1wfd n SER 10 Cb 0.84 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1wfd n SER 10 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wfd n ASP 11 N 5.50 0.00 -0.58 4.04 8.00 -1.26 -4.68 116.55 127.57 1wfd n ASP 11 Ca 0.34 0.00 0.46 0.00 0.71 0.00 0.00 54.79 56.30 1wfd n ASP 11 Cb 0.03 0.00 0.75 0.00 -0.02 0.00 0.00 41.12 41.88 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 0.11 -0.68 -2.24 0.02 -1.89 0.32 113.55 109.19 1wfd h SER 12 Ca 0.00 0.09 0.10 0.00 -0.84 0.00 0.00 61.79 61.13 1wfd h SER 12 Cb 0.00 0.09 -0.11 0.00 0.14 0.00 0.00 62.40 62.52 1wfd h SER 12 CO 0.00 -0.15 -0.45 0.74 -1.14 0.00 0.00 176.83 175.84 1wfd h THR 13 N 0.00 0.06 -0.99 -2.27 2.02 -1.96 0.79 112.91 110.57 1wfd h THR 13 Ca 0.91 0.00 0.37 0.00 0.77 0.00 0.00 66.41 68.46 1wfd h THR 13 Cb 3.25 0.06 -0.17 0.00 -1.74 0.00 0.00 68.15 69.56 1wfd h THR 13 CO -0.27 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.11 1wfd h ALA 14 N 0.70 1.98 -0.11 6.16 0.00 -0.63 1.44 119.26 128.79 1wfd h ALA 14 Ca 0.20 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1wfd h ALA 14 Cb 0.55 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1wfd h ALA 14 CO -0.75 -0.79 0.03 0.00 0.00 0.00 0.00 179.25 177.73 1wfd h ALA 15 N 1.95 0.15 -1.00 0.00 0.00 0.45 0.93 119.26 121.75 1wfd h ALA 15 Ca 0.78 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.68 1wfd h ALA 15 Cb 1.94 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.60 1wfd h ALA 15 CO -0.73 -0.21 0.63 0.28 0.00 0.00 0.00 179.25 179.21 1wfd h VAL 16 N -0.02 0.89 0.28 0.00 2.07 0.28 1.37 116.25 121.12 1wfd h VAL 16 Ca 0.04 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1wfd h VAL 16 Cb 0.26 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1wfd h VAL 16 CO 0.00 0.17 -0.13 0.00 0.02 0.00 0.00 177.57 177.63 1wfd h ALA 17 N 1.55 -0.37 -1.02 1.67 0.00 -0.31 -0.39 119.26 120.40 1wfd h ALA 17 Ca 0.50 -0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.56 1wfd h ALA 17 Cb 0.55 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1wfd h ALA 17 CO -0.27 -0.36 0.65 -0.24 0.00 0.00 0.00 179.25 179.03 1wfd h VAL 18 N -1.08 0.57 -0.22 0.00 3.04 0.13 0.56 116.25 119.24 1wfd h VAL 18 Ca -0.04 -0.15 -0.11 0.00 -1.01 0.00 0.00 66.70 65.40 1wfd h VAL 18 Cb 0.33 0.09 -0.00 0.00 -2.01 0.00 0.00 31.29 29.70 1wfd h VAL 18 CO 0.06 0.08 -0.28 -0.07 -1.01 0.00 0.00 177.57 176.36 1wfd h LEU 19 N 0.43 0.62 0.01 3.16 3.38 0.18 -0.66 115.31 122.44 1wfd h LEU 19 Ca 0.57 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1wfd h LEU 19 Cb 1.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1wfd h LEU 19 CO -0.29 1.00 -0.06 0.50 0.09 0.00 0.00 178.44 179.68 1wfd h LYS 20 N 0.26 -0.10 0.08 1.13 1.63 0.17 -1.55 116.57 118.19 1wfd h LYS 20 Ca 0.03 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1wfd h LYS 20 Cb 0.85 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.48 1wfd h LYS 20 CO 0.07 -0.07 -0.13 0.00 -3.45 0.00 0.00 179.45 175.87 1wfd h ARG 21 N -0.10 -0.25 -0.55 1.90 2.47 -0.34 -2.63 114.38 114.88 1wfd h ARG 21 Ca 0.02 0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.82 1wfd h ARG 21 Cb 0.13 0.06 -0.09 0.00 -1.65 0.00 0.00 29.97 28.41 1wfd h ARG 21 CO -0.05 -0.16 -0.55 0.00 0.56 0.00 0.00 179.97 179.76 1wfd h ALA 22 N 0.63 -0.68 -0.87 0.04 0.00 -0.85 0.20 119.26 117.73 1wfd h ALA 22 Ca 0.02 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1wfd h ALA 22 Cb 0.27 1.16 -0.15 0.00 0.00 0.00 0.00 17.79 19.07 1wfd h ALA 22 CO -0.07 -1.01 -0.36 0.28 0.00 0.00 0.00 179.25 178.10 1wfd h VAL 23 N -0.30 0.06 0.18 0.00 2.07 -1.05 0.62 116.25 117.83 1wfd h VAL 23 Ca 0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.64 1wfd h VAL 23 Cb 0.56 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1wfd h VAL 23 CO -0.68 0.00 -0.50 -0.33 0.02 0.00 0.00 177.57 176.08 1wfd h GLU 24 N -0.05 -0.74 -0.96 1.57 4.39 -0.34 0.21 114.58 118.66 1wfd h GLU 24 Ca 0.33 0.05 0.20 0.00 0.34 0.00 0.00 59.36 60.28 1wfd h GLU 24 Cb 0.59 0.17 -0.11 0.00 -0.10 0.00 0.00 28.75 29.30 1wfd h GLU 24 CO -0.90 -0.49 0.54 -0.07 -1.16 0.00 0.00 179.01 176.93 1wfd h LEU 25 N -0.77 0.64 -1.12 1.33 3.38 0.13 1.08 115.31 119.98 1wfd h LEU 25 Ca -0.01 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1wfd h LEU 25 Cb 0.76 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1wfd h LEU 25 CO -0.24 0.17 0.39 -0.78 0.09 0.00 0.00 178.44 178.07 1wfd h ASP 26 N 0.63 0.89 1.33 -0.43 3.58 0.17 0.92 116.42 123.51 1wfd h ASP 26 Ca 0.58 -0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.85 1wfd h ASP 26 Cb 0.98 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1wfd h ASP 26 CO -0.43 0.72 -0.47 0.00 -2.88 0.00 0.00 179.24 176.19 1wfd h ALA 27 N 1.42 0.75 -0.02 -0.78 0.00 0.36 -2.84 119.26 118.14 1wfd h ALA 27 Ca 0.25 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wfd h ALA 27 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1wfd h ALA 27 CO -0.04 0.59 0.00 0.39 0.00 0.00 0.00 179.25 180.19 1wfd n GLU 28 N -3.29 1.33 -0.96 0.00 -0.58 0.30 -4.86 120.64 112.57 1wfd n GLU 28 Ca 0.01 -0.48 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 1wfd n GLU 28 Cb 0.68 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 -0.40 -0.19 -3.74 1.62 3.41 -0.12 -4.91 113.62 109.28 1wfd n SER 29 Ca 0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.39 1wfd n SER 29 Cb 0.22 -0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.04 3.37 -0.14 4.33 1.74 0.30 -4.68 116.66 119.54 1wfd n ARG 30 Ca 0.00 -3.03 -0.06 0.00 -0.77 0.00 0.00 57.85 53.99 1wfd n ARG 30 Cb 0.00 -3.05 0.12 0.00 -1.02 0.00 0.00 32.46 28.51 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 5.72 0.94 -0.02 -1.55 0.05 -1.88 0.30 116.97 120.52 1wfd h TYR 31 Ca 0.53 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 59.16 1wfd h TYR 31 Cb 0.59 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 1wfd h TYR 31 CO 1.41 0.86 0.16 0.37 -1.05 0.00 0.00 178.16 179.92 1wfd h GLN 32 N 0.80 0.00 0.00 4.88 -0.00 -1.94 0.78 115.11 119.63 1wfd h GLN 32 Ca 0.15 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.51 1wfd h GLN 32 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.94 1wfd h GLN 32 CO 0.03 0.00 -2.09 1.04 0.00 0.00 0.00 178.83 177.81 1wfd n GLN 33 N -3.06 0.86 0.26 1.69 6.02 -0.76 -4.29 117.38 118.10 1wfd n GLN 33 Ca -0.02 0.07 0.14 0.00 -0.01 0.00 0.00 57.00 57.17 1wfd n GLN 33 Cb 0.23 -1.39 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 0.27 1.06 0.35 -1.58 0.00 0.57 -2.11 119.26 117.82 1wfd h ALA 34 Ca -0.43 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1wfd h ALA 34 Cb 1.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1wfd h ALA 34 CO -0.03 0.15 -0.17 1.25 0.00 0.00 0.00 179.25 180.44 1wfd h LEU 35 N 0.00 -0.40 -0.45 0.00 7.12 0.33 0.10 115.31 122.01 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 0.55 0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 40.70 1wfd h LEU 35 CO 0.02 -0.19 -0.08 -0.37 -0.13 0.00 0.00 178.44 177.68 1wfd h VAL 36 N -0.66 0.57 0.04 1.05 -1.51 -1.73 0.36 116.25 114.37 1wfd h VAL 36 Ca -0.05 -0.01 0.02 0.00 -1.23 0.00 0.00 66.70 65.44 1wfd h VAL 36 Cb 0.36 0.54 -0.05 0.00 -2.13 0.00 0.00 31.29 30.01 1wfd h VAL 36 CO 0.08 0.00 -0.45 0.00 -1.23 0.00 0.00 177.57 175.97 1wfd h TYR 38 N -0.63 1.07 -0.24 0.00 0.05 0.38 -0.13 116.97 117.47 1wfd h TYR 38 Ca 0.03 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 1wfd h TYR 38 Cb 0.69 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 1wfd h TYR 38 CO -0.43 0.30 -0.18 1.96 -1.05 0.00 0.00 178.16 178.76 1wfd h GLN 39 N 0.82 0.54 -0.71 4.88 1.08 0.16 -0.95 115.11 120.93 1wfd h GLN 39 Ca 0.55 -0.26 0.10 0.00 -1.45 0.00 0.00 58.65 57.59 1wfd h GLN 39 Cb 0.79 -0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.15 1wfd h GLN 39 CO -0.34 0.84 0.33 0.93 -0.95 0.00 0.00 178.83 179.64 1wfd h GLU 40 N 0.25 0.54 0.31 1.46 5.08 0.34 0.90 114.58 123.46 1wfd h GLU 40 Ca 0.05 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1wfd h GLU 40 Cb 0.71 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1wfd h GLU 40 CO 0.05 0.35 -0.15 0.78 -1.00 0.00 0.00 179.01 179.04 1wfd h GLY 41 N 0.55 -0.43 -0.38 -3.84 0.00 -1.07 -2.18 103.07 95.72 1wfd h GLY 41 Ca 0.36 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.92 1wfd h GLY 41 CO -0.30 -0.16 -0.44 -2.22 0.00 0.00 0.00 176.54 173.42 1wfd h ILE 42 N -0.83 0.09 -0.64 2.60 2.04 -0.82 1.41 117.51 121.37 1wfd h ILE 42 Ca -0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.95 1wfd h ILE 42 Cb 0.52 0.09 -0.10 0.00 -0.74 0.00 0.00 36.82 36.59 1wfd h ILE 42 CO 0.07 0.00 0.07 -0.78 0.00 0.00 0.00 178.15 177.51 1wfd h ASP 43 N -0.29 -0.14 -0.14 1.72 3.58 -0.88 1.29 116.42 121.56 1wfd h ASP 43 Ca 0.15 0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 1wfd h ASP 43 Cb 0.58 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1wfd h ASP 43 CO -0.62 -0.07 0.06 0.24 -2.88 0.00 0.00 179.24 175.97 1wfd h MET 44 N 0.18 0.20 0.34 0.28 2.86 0.18 -2.45 114.93 116.52 1wfd h MET 44 Ca 0.34 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 1wfd h MET 44 Cb 0.55 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1wfd h MET 44 CO -0.49 0.28 -0.16 -0.07 1.06 0.00 0.00 176.91 177.52 1wfd h LEU 45 N 0.08 -0.39 -0.95 1.22 3.38 0.33 -1.69 115.31 117.28 1wfd h LEU 45 Ca 0.05 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.14 1wfd h LEU 45 Cb 0.15 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 40.86 1wfd h LEU 45 CO -0.00 -0.26 -0.47 -0.07 0.09 0.00 0.00 178.44 177.73 1wfd h LEU 46 N -0.49 -1.73 -1.47 1.67 3.38 0.16 2.06 115.31 118.91 1wfd h LEU 46 Ca -0.05 0.31 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1wfd h LEU 46 Cb 0.37 0.83 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1wfd h LEU 46 CO 0.08 -0.27 0.46 1.56 0.09 0.00 0.00 178.44 180.36 1wfd h GLN 47 N -0.03 0.59 0.04 1.13 4.20 -1.22 0.16 115.11 119.98 1wfd h GLN 47 Ca 0.26 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 1wfd h GLN 47 Cb 0.52 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1wfd h GLN 47 CO -0.94 0.39 -0.02 0.28 -0.67 0.00 0.00 178.83 177.87 1wfd h VAL 48 N 0.60 1.25 -0.19 -0.54 2.07 0.38 -3.05 116.25 116.77 1wfd h VAL 48 Ca 0.32 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1wfd h VAL 48 Cb 0.44 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1wfd h VAL 48 CO -0.11 0.23 -0.10 0.25 0.02 0.00 0.00 177.57 177.87 1wfd h LEU 49 N -0.46 -0.32 -0.99 2.57 7.12 0.19 -1.75 115.31 121.68 1wfd h LEU 49 Ca -0.00 0.08 0.17 0.00 0.13 0.00 0.00 57.88 58.26 1wfd h LEU 49 Cb 0.42 0.18 -0.17 0.00 -0.53 0.00 0.00 40.66 40.56 1wfd h LEU 49 CO 0.01 -0.13 -0.32 0.29 -0.13 0.00 0.00 178.44 178.16 1wfd n LYS 50 N -5.25 -0.16 -2.03 1.25 4.01 0.48 0.50 118.16 116.95 1wfd n LYS 50 Ca -0.02 1.53 -0.37 0.00 -0.51 0.00 0.00 58.31 58.93 1wfd n LYS 50 Cb 0.17 -2.27 0.01 0.00 -0.51 0.00 0.00 35.03 32.42 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 -1.54 5.38 2.53 0.72 0.00 -0.67 -4.78 105.19 106.83 1wfd n GLY 51 Ca 0.13 -2.31 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 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 -3.65 0.39 0.27 2.61 2.01 0.18 -4.96 115.64 112.48 1wfd s THR 52 Ca 0.50 -1.76 -0.01 0.00 0.31 0.00 0.00 61.69 60.74 1wfd s THR 52 Cb 0.32 -1.29 0.12 0.00 0.01 0.00 0.00 72.50 71.66 1wfd s THR 52 CO -0.25 -0.93 1.77 0.11 -0.69 0.00 0.00 174.62 174.63 1wfd h LYS 53 N 7.15 0.73 -5.06 4.92 1.79 -1.86 -3.42 116.57 120.82 1wfd h LYS 53 Ca 0.01 -0.20 -0.43 0.00 -2.18 0.00 0.00 60.65 57.86 1wfd h LYS 53 Cb 0.97 -0.09 -0.09 0.00 -1.58 0.00 0.00 32.23 31.44 1wfd h LYS 53 CO 0.33 0.76 1.76 0.39 -1.08 0.00 0.00 179.45 181.61 1wfd n GLU 54 N -4.22 0.11 -0.30 3.15 4.71 -1.26 -4.70 120.64 118.12 1wfd n GLU 54 Ca 0.02 -0.04 0.14 0.00 -0.01 0.00 0.00 57.16 57.27 1wfd n GLU 54 Cb 0.30 -1.59 0.31 0.00 -1.01 0.00 0.00 31.44 29.44 1wfd n GLU 54 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1wfd h SER 55 N 12.31 0.15 0.63 1.62 0.87 -1.99 0.47 113.55 127.60 1wfd h SER 55 Ca -0.03 0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1wfd h SER 55 Cb 1.23 0.21 0.01 0.00 -0.44 0.00 0.00 62.40 63.41 1wfd h SER 55 CO 1.43 -0.10 -0.30 0.77 -0.53 0.00 0.00 176.83 178.10 1wfd h SER 56 N 0.28 -0.72 -0.94 6.23 4.64 -1.95 -1.56 113.55 119.52 1wfd h SER 56 Ca 0.57 0.02 0.28 0.00 -0.47 0.00 0.00 61.79 62.19 1wfd h SER 56 Cb 1.13 0.19 -0.15 0.00 -0.31 0.00 0.00 62.40 63.26 1wfd h SER 56 CO -0.61 -0.43 0.40 0.11 -0.87 0.00 0.00 176.83 175.43 1wfd h LYS 57 N -1.01 0.26 0.48 4.77 1.57 -1.63 0.20 116.57 121.21 1wfd h LYS 57 Ca -0.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1wfd h LYS 57 Cb 0.65 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1wfd h LYS 57 CO 0.14 0.17 -0.37 0.00 -0.57 0.00 0.00 179.45 178.83 1wfd h ARG 58 N 0.27 -0.80 -0.79 3.15 3.08 0.04 1.00 114.38 120.33 1wfd h ARG 58 Ca 0.64 0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.94 1wfd h ARG 58 Cb 1.39 0.18 -0.13 0.00 0.08 0.00 0.00 29.97 31.50 1wfd h ARG 58 CO -0.63 -0.54 0.15 0.00 -1.07 0.00 0.00 179.97 177.88 1wfd h VAL 60 N 0.20 0.00 -0.27 0.00 2.07 -0.45 -1.19 116.25 116.60 1wfd h VAL 60 Ca 0.46 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.89 1wfd h VAL 60 Cb 0.86 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1wfd h VAL 60 CO -0.61 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 176.73 1wfd h LEU 61 N -0.64 -0.67 -1.63 2.57 3.38 0.19 2.00 115.31 120.50 1wfd h LEU 61 Ca -0.05 0.10 0.38 0.00 0.09 0.00 0.00 57.88 58.40 1wfd h LEU 61 Cb 0.40 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 1wfd h LEU 61 CO 0.09 -0.09 0.88 0.03 0.09 0.00 0.00 178.44 179.44 1wfd h ARG 62 N -0.03 0.13 0.07 1.13 3.08 0.26 1.80 114.38 120.82 1wfd h ARG 62 Ca 0.04 -0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.84 1wfd h ARG 62 Cb 0.15 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1wfd h ARG 62 CO -0.27 0.09 -1.10 1.15 -1.07 0.00 0.00 179.97 178.76 1wfd h THR 63 N 0.13 1.50 0.04 2.04 2.02 0.28 -2.53 112.91 116.40 1wfd h THR 63 Ca 0.71 -2.90 -0.00 0.00 0.77 0.00 0.00 66.41 64.98 1wfd h THR 63 Cb 2.37 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 71.54 1wfd h THR 63 CO -0.22 0.85 -0.02 0.07 0.37 0.00 0.00 175.52 176.57 1wfd h LYS 64 N 0.10 -0.06 0.14 6.66 2.10 1.39 -1.07 116.57 125.84 1wfd h LYS 64 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1wfd h LYS 64 Cb 1.80 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 33.12 1wfd h LYS 64 CO 0.18 0.58 -0.30 0.82 -2.00 0.00 0.00 179.45 178.73 1wfd h ILE 65 N -0.81 0.00 -0.71 0.07 2.04 0.15 0.27 117.51 118.52 1wfd h ILE 65 Ca -0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 1wfd h ILE 65 Cb 0.67 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.66 1wfd h ILE 65 CO 0.01 0.00 0.26 0.77 0.00 0.00 0.00 178.15 179.19 1wfd h SER 66 N -0.49 0.22 -0.59 1.72 4.64 -1.59 0.36 113.55 117.83 1wfd h SER 66 Ca -0.01 0.11 0.11 0.00 -0.47 0.00 0.00 61.79 61.52 1wfd h SER 66 Cb 0.46 0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1wfd h SER 66 CO -0.13 0.09 0.40 1.23 -0.87 0.00 0.00 176.83 177.55 1wfd h GLY 67 N 0.41 0.48 0.43 -0.77 0.00 -0.45 0.44 103.07 103.61 1wfd h GLY 67 Ca 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1wfd h GLY 67 CO -0.39 0.08 -0.30 -1.72 0.00 0.00 0.00 176.54 174.20 1wfd n TYR 68 N -4.46 0.00 -0.04 5.60 4.01 1.00 -3.88 117.16 119.38 1wfd n TYR 68 Ca 0.10 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.62 1wfd n TYR 68 Cb 0.42 -0.15 -0.13 0.00 -0.31 0.00 0.00 39.34 39.17 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 0.92 0.15 -0.75 -0.72 2.86 0.23 -3.10 114.93 114.51 1wfd h MET 69 Ca 0.00 -0.25 0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1wfd h MET 69 Cb 0.50 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.19 1wfd h MET 69 CO 0.00 1.12 0.43 0.22 1.06 0.00 0.00 176.91 179.74 1wfd h ASP 70 N -0.43 0.63 -0.36 1.22 3.58 -1.19 0.41 116.42 120.29 1wfd h ASP 70 Ca -0.39 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.04 1wfd h ASP 70 Cb 1.70 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.65 1wfd h ASP 70 CO -0.05 0.39 -0.01 -0.09 -2.88 0.00 0.00 179.24 176.60 1wfd h ARG 71 N 0.76 0.64 -0.04 0.28 9.65 -1.73 -1.47 114.38 122.47 1wfd h ARG 71 Ca 0.34 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1wfd h ARG 71 Cb 0.24 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1wfd h ARG 71 CO -0.21 0.75 -0.00 0.00 2.80 0.00 0.00 179.97 183.31 1wfd h ALA 72 N 0.86 0.03 0.18 2.80 0.00 -1.22 -1.46 119.26 120.45 1wfd h ALA 72 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wfd h ALA 72 Cb 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1wfd h ALA 72 CO 0.02 -0.49 -0.22 0.93 0.00 0.00 0.00 179.25 179.50 1wfd h GLU 73 N 0.01 -0.39 -1.00 0.00 5.08 -0.12 0.53 114.58 118.70 1wfd h GLU 73 Ca 0.02 0.03 0.36 0.00 -1.00 0.00 0.00 59.36 58.77 1wfd h GLU 73 Cb 0.03 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 29.18 1wfd h GLU 73 CO -0.04 -0.26 0.36 -0.91 -1.00 0.00 0.00 179.01 177.16 1wfd h ASN 74 N -0.40 0.04 0.62 1.42 2.35 -1.23 1.08 115.58 119.47 1wfd h ASN 74 Ca -0.02 0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1wfd h ASN 74 Cb 0.36 0.34 0.01 0.00 0.05 0.00 0.00 38.32 39.08 1wfd h ASN 74 CO -0.05 -0.39 -0.30 0.40 -1.65 0.00 0.00 177.43 175.44 1wfd h ILE 75 N 0.02 0.00 -0.58 2.81 2.04 -0.34 -1.19 117.51 120.27 1wfd h ILE 75 Ca 0.75 -0.21 0.11 0.00 1.00 0.00 0.00 64.86 66.52 1wfd h ILE 75 Cb 1.86 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.82 1wfd h ILE 75 CO -0.82 0.00 -0.19 0.11 0.00 0.00 0.00 178.15 177.25 1wfd h LYS 76 N -1.04 -0.05 -0.47 2.37 1.57 0.37 2.03 116.57 121.35 1wfd h LYS 76 Ca -0.09 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.83 1wfd h LYS 76 Cb 0.64 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1wfd h LYS 76 CO 0.14 -0.03 0.36 0.87 -0.57 0.00 0.00 179.45 180.21 1wfd h LYS 77 N -0.05 0.00 0.00 3.15 6.56 0.10 1.11 116.57 127.44 1wfd h LYS 77 Ca 0.27 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.71 1wfd h LYS 77 Cb 0.47 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.10 1wfd h LYS 77 CO -0.62 0.00 -1.34 -0.92 -2.06 0.00 0.00 179.45 174.51 1wfd h TYR 78 N 0.00 0.00 0.18 -1.35 3.20 0.31 -3.25 116.97 116.06 1wfd h TYR 78 Ca 0.22 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.80 1wfd h TYR 78 Cb 0.93 0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.24 1wfd h TYR 78 CO 0.00 0.52 -1.25 -0.07 -1.64 0.00 0.00 178.16 175.72 1wfd h LEU 79 N 0.00 0.79 -0.89 2.82 3.38 0.63 0.16 115.31 122.20 1wfd h LEU 79 Ca -0.14 -0.88 0.02 0.00 0.09 0.00 0.00 57.88 56.97 1wfd h LEU 79 Cb 1.52 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 1wfd h LEU 79 CO 0.04 1.60 0.59 0.44 0.09 0.00 0.00 178.44 181.20 1wfd h ASP 80 N 0.10 1.00 -0.01 -0.43 3.32 0.91 0.45 116.42 121.77 1wfd h ASP 80 Ca -0.21 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.62 1wfd h ASP 80 Cb 1.95 -0.24 0.02 0.00 0.22 0.00 0.00 39.33 41.28 1wfd h ASP 80 CO 0.24 0.71 -0.82 0.06 -1.72 0.00 0.00 179.24 177.70 1wfd h GLN 81 N 1.17 0.56 -0.37 3.56 3.07 -1.60 -2.80 115.11 118.70 1wfd h GLN 81 Ca 0.34 -0.60 0.08 0.00 0.09 0.00 0.00 58.65 58.56 1wfd h GLN 81 Cb -0.08 0.17 -0.02 0.00 0.08 0.00 0.00 27.48 27.63 1wfd h GLN 81 CO -0.09 1.22 0.26 0.93 0.09 0.00 0.00 178.83 181.24 1wfd h GLU 82 N 0.16 0.13 0.00 0.06 4.39 -0.51 0.60 114.58 119.40 1wfd h GLU 82 Ca -0.10 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1wfd h GLU 82 Cb 1.50 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 1wfd h GLU 82 CO 0.16 0.08 -0.21 0.87 -1.16 0.00 0.00 179.01 178.76 1wfd h LYS 83 N 0.13 0.00 -0.47 2.33 1.57 -0.88 -3.12 116.57 116.12 1wfd h LYS 83 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1wfd h LYS 83 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1wfd h LYS 83 CO -0.02 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.25 1wfd n GLU 84 N -2.50 4.19 -0.01 3.15 -0.58 0.20 -4.32 120.64 120.76 1wfd n GLU 84 Ca 0.04 -3.04 0.11 0.00 -0.42 0.00 0.00 57.16 53.85 1wfd n GLU 84 Cb 0.47 -2.11 0.64 0.00 -0.57 0.00 0.00 31.44 29.87 1wfd n GLU 84 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1wfd n ASP 85 N 0.26 0.16 -0.11 1.62 5.75 -0.44 -3.79 116.55 119.99 1wfd n ASP 85 Ca 0.25 -1.34 0.26 0.00 -0.01 0.00 0.00 54.79 53.96 1wfd n ASP 85 Cb 1.08 -0.01 0.72 0.00 -1.03 0.00 0.00 41.12 41.88 1wfd n ASP 85 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1wfd h GLY 86 N 5.27 0.00 -6.37 6.12 0.00 -1.84 -3.46 103.07 102.79 1wfd h GLY 86 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1wfd h GLY 86 CO 0.00 0.00 -1.01 0.28 0.00 0.00 0.00 176.54 175.81 1wfd n LYS 87 N -4.11 -0.37 -1.61 4.80 4.76 -1.25 -4.59 118.16 115.79 1wfd n LYS 87 Ca 0.16 0.81 -0.58 0.00 -2.87 0.00 0.00 58.31 55.83 1wfd n LYS 87 Cb 0.89 -1.06 -0.08 0.00 -1.84 0.00 0.00 35.03 32.94 1wfd n LYS 87 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1wfd n SER 88 N 1.21 1.20 0.00 4.39 7.64 -1.26 -4.83 113.62 121.97 1wfd n SER 88 Ca -0.00 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1wfd n SER 88 Cb 0.51 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 2.79 2.62 3.10 0.23 0.00 -1.26 -5.04 105.19 107.63 1wfd n GLY 89 Ca 0.23 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 2.21 -4.30 1.61 -0.04 -1.26 -4.89 135.00 128.33 1wfd n PRO 90 Ca 0.00 -2.38 -0.27 0.00 -0.04 0.00 0.00 63.50 60.81 1wfd n PRO 90 Cb 0.00 -3.23 -0.09 0.00 -0.04 0.00 0.00 33.50 30.13 1wfd n PRO 90 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wfd s SER 91 N 4.47 4.20 -0.63 3.54 0.01 -1.26 -4.80 113.70 119.23 1wfd s SER 91 Ca 0.55 -0.60 -0.18 0.00 1.31 0.00 0.00 55.95 57.03 1wfd s SER 91 Cb 0.11 -0.69 0.03 0.00 0.21 0.00 0.00 66.02 65.67 1wfd s SER 91 CO 0.04 0.10 0.64 -1.20 0.41 0.00 0.00 173.24 173.23 1wfd n SER 92 N 0.04 -5.57 -0.18 2.44 7.64 -1.26 -5.23 113.62 111.50 1wfd n SER 92 Ca -0.11 -0.45 0.15 0.00 1.01 0.00 0.00 58.87 59.47 1wfd n SER 92 Cb 0.55 -2.20 0.79 0.00 -1.01 0.00 0.00 64.21 62.35 1wfd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64