#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 4.97 0.15 1.61 1.04 -1.26 -4.95 113.70 115.26 1wfd s SER 2 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1wfd s SER 2 Cb 0.00 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.28 1wfd s SER 2 CO 0.00 0.13 0.00 -0.24 0.98 0.00 0.00 173.24 174.11 1wfd n SER 3 N 3.83 0.60 -3.15 7.02 2.88 -1.26 -5.08 113.62 118.46 1wfd n SER 3 Ca -0.17 0.23 0.04 0.00 -1.33 0.00 0.00 58.87 57.64 1wfd n SER 3 Cb 0.52 -0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 63.90 1wfd n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfd s GLY 4 N -4.41 -0.95 -0.42 0.46 0.00 -1.26 -5.10 107.32 95.64 1wfd s GLY 4 Ca 0.00 1.90 0.02 0.00 0.00 0.00 0.00 44.72 46.63 1wfd s GLY 4 CO 0.00 3.46 0.25 -0.56 0.00 0.00 0.00 173.10 176.25 1wfd s SER 5 N 2.87 3.24 0.42 1.64 0.01 -1.26 -5.12 113.70 115.51 1wfd s SER 5 Ca 0.18 -2.58 0.08 0.00 1.31 0.00 0.00 55.95 54.93 1wfd s SER 5 Cb -0.14 -0.79 -0.01 0.00 0.21 0.00 0.00 66.02 65.29 1wfd s SER 5 CO -0.20 -0.26 0.42 -0.55 0.41 0.00 0.00 173.24 173.06 1wfd s SER 6 N 0.48 5.16 0.02 2.44 0.15 -1.26 -5.13 113.70 115.56 1wfd s SER 6 Ca 0.20 -0.70 0.04 0.00 0.70 0.00 0.00 55.95 56.19 1wfd s SER 6 Cb -0.20 -0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 1wfd s SER 6 CO -0.02 -0.70 -0.06 -0.83 1.20 0.00 0.00 173.24 172.83 1wfd s GLY 7 N -4.19 1.78 -0.48 9.45 0.00 -1.26 -4.78 107.32 107.85 1wfd s GLY 7 Ca 0.49 -1.04 -0.35 0.00 0.00 0.00 0.00 44.72 43.82 1wfd s GLY 7 CO 0.29 -0.93 0.65 -1.06 0.00 0.00 0.00 173.10 172.05 1wfd n GLN 8 N 1.38 -1.86 -3.60 2.90 1.13 -1.26 -4.97 117.38 111.10 1wfd n GLN 8 Ca -0.15 1.33 -0.04 0.00 -1.94 0.00 0.00 57.00 56.20 1wfd n GLN 8 Cb 0.52 -1.98 -0.02 0.00 0.11 0.00 0.00 30.24 28.88 1wfd n GLN 8 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1wfd s ASP 9 N -1.59 -0.16 0.47 1.08 -4.77 -1.26 -5.16 116.67 105.28 1wfd s ASP 9 Ca 0.34 -0.05 0.00 0.00 -3.30 0.00 0.00 52.55 49.54 1wfd s ASP 9 Cb -0.04 0.20 0.00 0.00 -1.09 0.00 0.00 42.92 42.00 1wfd s ASP 9 CO 0.87 -0.34 0.00 -1.54 0.70 0.00 0.00 175.17 174.85 1wfd n SER 10 N -0.22 -6.27 0.00 2.11 3.41 -1.26 -4.89 113.62 106.51 1wfd n SER 10 Ca -0.03 1.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 1wfd n SER 10 Cb 0.60 -3.74 0.00 0.00 -0.26 0.00 0.00 64.21 60.81 1wfd n SER 10 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1wfd n ASP 11 N -3.03 0.00 0.10 4.04 5.75 -1.26 -4.80 116.55 117.35 1wfd n ASP 11 Ca -0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.72 1wfd n ASP 11 Cb 0.44 0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.75 1wfd n ASP 11 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1wfd h SER 12 N 0.00 0.22 0.25 -1.12 0.02 -1.97 -3.20 113.55 107.75 1wfd h SER 12 Ca 0.00 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1wfd h SER 12 Cb 0.00 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1wfd h SER 12 CO 0.00 0.64 -0.47 0.74 -1.14 0.00 0.00 176.83 176.61 1wfd h THR 13 N 0.17 0.09 -1.29 -2.27 2.02 -1.98 0.10 112.91 109.75 1wfd h THR 13 Ca 0.01 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.58 1wfd h THR 13 Cb 0.86 0.09 -0.10 0.00 -1.74 0.00 0.00 68.15 67.26 1wfd h THR 13 CO 0.07 0.00 0.87 0.00 0.37 0.00 0.00 175.52 176.83 1wfd h ALA 14 N -0.46 2.81 -0.06 6.16 0.00 -1.86 0.97 119.26 126.82 1wfd h ALA 14 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1wfd h ALA 14 Cb 0.76 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1wfd h ALA 14 CO -0.19 -1.31 -0.07 0.00 0.00 0.00 0.00 179.25 177.67 1wfd h ALA 15 N 1.49 0.09 -1.00 0.00 0.00 -0.97 0.26 119.26 119.14 1wfd h ALA 15 Ca 0.72 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 55.48 1wfd h ALA 15 Cb 2.35 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 20.03 1wfd h ALA 15 CO -0.25 -0.09 0.62 0.28 0.00 0.00 0.00 179.25 179.81 1wfd h VAL 16 N -0.31 0.82 0.36 0.00 2.07 0.30 1.52 116.25 120.99 1wfd h VAL 16 Ca 0.01 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1wfd h VAL 16 Cb 0.61 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1wfd h VAL 16 CO 0.02 0.16 -0.17 0.00 0.02 0.00 0.00 177.57 177.60 1wfd h ALA 17 N 1.59 -0.49 -1.00 1.67 0.00 -0.83 0.23 119.26 120.41 1wfd h ALA 17 Ca 0.54 -0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.60 1wfd h ALA 17 Cb 0.68 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 1wfd h ALA 17 CO -0.32 -0.46 0.67 -0.24 0.00 0.00 0.00 179.25 178.90 1wfd h VAL 18 N -1.09 0.56 -0.23 0.00 3.04 -0.03 0.72 116.25 119.23 1wfd h VAL 18 Ca -0.05 -0.11 -0.18 0.00 -1.01 0.00 0.00 66.70 65.35 1wfd h VAL 18 Cb 0.37 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.85 1wfd h VAL 18 CO 0.08 0.06 -0.54 -0.07 -1.01 0.00 0.00 177.57 176.09 1wfd h LEU 19 N 0.33 0.87 -0.26 3.16 3.38 0.21 -0.44 115.31 122.56 1wfd h LEU 19 Ca 0.54 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1wfd h LEU 19 Cb 1.49 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1wfd h LEU 19 CO -0.21 1.28 0.14 0.50 0.09 0.00 0.00 178.44 180.23 1wfd h LYS 20 N 0.51 0.37 -0.09 1.13 1.63 0.24 -2.19 116.57 118.17 1wfd h LYS 20 Ca -0.00 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1wfd h LYS 20 Cb 1.16 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1wfd h LYS 20 CO 0.12 0.34 0.05 0.00 -3.45 0.00 0.00 179.45 176.50 1wfd h ARG 21 N 0.31 0.13 -0.50 1.90 2.47 -0.31 -2.92 114.38 115.45 1wfd h ARG 21 Ca 0.09 -0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.85 1wfd h ARG 21 Cb 0.08 -0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 28.28 1wfd h ARG 21 CO -0.01 0.19 -0.55 0.00 0.56 0.00 0.00 179.97 180.15 1wfd h ALA 22 N 0.94 -0.70 -0.86 0.04 0.00 -0.87 0.91 119.26 118.71 1wfd h ALA 22 Ca 0.03 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1wfd h ALA 22 Cb 0.10 1.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 1wfd h ALA 22 CO -0.00 -1.02 -0.43 0.28 0.00 0.00 0.00 179.25 178.07 1wfd h VAL 23 N -0.33 0.04 -0.20 0.00 2.07 -1.29 0.49 116.25 117.02 1wfd h VAL 23 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1wfd h VAL 23 Cb 0.57 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 1wfd h VAL 23 CO -0.65 0.00 -0.46 -0.33 0.02 0.00 0.00 177.57 176.15 1wfd h GLU 24 N -0.07 -0.46 -0.83 1.57 5.08 -0.72 0.17 114.58 119.32 1wfd h GLU 24 Ca 0.26 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.81 1wfd h GLU 24 Cb 0.55 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.80 1wfd h GLU 24 CO -0.88 -0.31 0.39 -0.07 -1.00 0.00 0.00 179.01 177.15 1wfd h LEU 25 N -0.48 0.42 -1.69 1.33 3.38 0.10 1.23 115.31 119.60 1wfd h LEU 25 Ca 0.08 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1wfd h LEU 25 Cb 0.63 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1wfd h LEU 25 CO -0.46 0.14 0.25 -0.78 0.09 0.00 0.00 178.44 177.69 1wfd h ASP 26 N 0.53 0.35 1.31 -0.43 1.82 0.23 0.32 116.42 120.56 1wfd h ASP 26 Ca 0.47 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 57.06 1wfd h ASP 26 Cb 0.73 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 1wfd h ASP 26 CO -0.41 0.24 -0.70 0.00 -1.61 0.00 0.00 179.24 176.76 1wfd h ALA 27 N 1.78 0.70 -0.02 -0.78 0.00 0.32 -3.19 119.26 118.07 1wfd h ALA 27 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wfd h ALA 27 Cb 0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wfd h ALA 27 CO -0.04 0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.85 1wfd n GLU 28 N -2.92 1.42 -0.89 0.00 -0.58 0.35 -4.87 120.64 113.16 1wfd n GLU 28 Ca -0.00 -0.61 0.00 0.00 -0.42 0.00 0.00 57.16 56.13 1wfd n GLU 28 Cb 0.62 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 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 -0.25 0.00 -3.16 1.62 7.64 0.07 -4.89 113.62 114.64 1wfd n SER 29 Ca 0.20 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.73 1wfd n SER 29 Cb 0.26 -0.25 -0.04 0.00 -1.01 0.00 0.00 64.21 63.17 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 3.68 -0.25 1.43 1.74 0.86 -4.64 116.66 117.47 1wfd n ARG 30 Ca 0.00 -2.39 0.02 0.00 -0.77 0.00 0.00 57.85 54.70 1wfd n ARG 30 Cb 0.00 -2.63 0.14 0.00 -1.02 0.00 0.00 32.46 28.95 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 4.56 0.66 0.00 -1.55 0.05 -1.88 0.52 116.97 119.33 1wfd h TYR 31 Ca 0.73 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.54 1wfd h TYR 31 Cb 0.45 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1wfd h TYR 31 CO 1.78 0.24 0.32 1.96 -1.05 0.00 0.00 178.16 181.41 1wfd h GLN 32 N 0.62 0.00 0.00 4.88 1.08 -1.94 0.39 115.11 120.14 1wfd h GLN 32 Ca 0.36 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 57.16 1wfd h GLN 32 Cb 0.38 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.75 1wfd h GLN 32 CO -0.27 0.00 -2.36 1.04 -0.95 0.00 0.00 178.83 176.29 1wfd n GLN 33 N -2.88 0.53 -0.05 1.46 6.02 0.95 -4.03 117.38 119.38 1wfd n GLN 33 Ca -0.02 0.21 0.19 0.00 -0.01 0.00 0.00 57.00 57.37 1wfd n GLN 33 Cb 0.36 -1.39 0.63 0.00 1.02 0.00 0.00 30.24 30.87 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 -0.70 2.38 0.35 -1.58 0.00 0.69 0.71 119.26 121.10 1wfd h ALA 34 Ca -0.60 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1wfd h ALA 34 Cb 1.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1wfd h ALA 34 CO -0.32 -0.55 -0.17 1.25 0.00 0.00 0.00 179.25 179.47 1wfd h LEU 35 N 0.13 -0.40 -0.11 0.00 7.12 -0.46 0.26 115.31 121.86 1wfd h LEU 35 Ca 0.28 -0.15 0.04 0.00 0.13 0.00 0.00 57.88 58.18 1wfd h LEU 35 Cb 0.95 0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 41.13 1wfd h LEU 35 CO -0.04 -0.02 -0.25 0.58 -0.13 0.00 0.00 178.44 178.59 1wfd h VAL 36 N -0.82 0.41 -0.07 1.05 2.07 -1.35 0.44 116.25 117.99 1wfd h VAL 36 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1wfd h VAL 36 Cb 0.53 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1wfd h VAL 36 CO 0.08 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 177.47 1wfd h TYR 38 N -0.28 0.60 -0.06 0.00 0.05 0.46 -0.35 116.97 117.38 1wfd h TYR 38 Ca 0.08 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 1wfd h TYR 38 Cb 0.40 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.99 1wfd h TYR 38 CO -0.28 0.07 0.04 1.96 -1.05 0.00 0.00 178.16 178.90 1wfd h GLN 39 N 0.48 0.08 -0.42 4.88 1.08 0.11 0.48 115.11 121.80 1wfd h GLN 39 Ca 0.45 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.73 1wfd h GLN 39 Cb 0.72 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.06 1wfd h GLN 39 CO -0.42 0.09 0.00 0.93 -0.95 0.00 0.00 178.83 178.48 1wfd h GLU 40 N 0.05 0.11 -0.35 1.46 5.08 0.52 0.64 114.58 122.08 1wfd h GLU 40 Ca 0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1wfd h GLU 40 Cb 0.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1wfd h GLU 40 CO -0.00 0.07 0.21 0.78 -1.00 0.00 0.00 179.01 179.07 1wfd h GLY 41 N 0.11 0.51 0.98 -3.84 0.00 -0.85 0.12 103.07 100.10 1wfd h GLY 41 Ca 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1wfd h GLY 41 CO -0.34 0.21 -0.27 -2.22 0.00 0.00 0.00 176.54 173.91 1wfd h ILE 42 N 0.46 0.43 -0.79 2.60 2.04 -0.00 0.58 117.51 122.83 1wfd h ILE 42 Ca 0.13 -0.05 0.15 0.00 1.00 0.00 0.00 64.86 66.09 1wfd h ILE 42 Cb 0.00 0.45 -0.10 0.00 -0.74 0.00 0.00 36.82 36.44 1wfd h ILE 42 CO -0.02 0.01 0.32 -0.78 0.00 0.00 0.00 178.15 177.68 1wfd h ASP 43 N -0.80 0.30 -0.22 1.72 3.58 0.37 0.93 116.42 122.31 1wfd h ASP 43 Ca -0.08 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 1wfd h ASP 43 Cb 0.60 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 1wfd h ASP 43 CO 0.13 0.10 0.05 0.24 -2.88 0.00 0.00 179.24 176.87 1wfd h MET 44 N 0.45 0.35 -0.07 0.28 2.86 -0.34 -2.91 114.93 115.55 1wfd h MET 44 Ca 0.44 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1wfd h MET 44 Cb 0.69 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1wfd h MET 44 CO -0.42 0.48 0.04 -0.07 1.06 0.00 0.00 176.91 178.01 1wfd h LEU 45 N 0.17 0.09 -0.97 1.22 3.38 0.19 -2.05 115.31 117.34 1wfd h LEU 45 Ca 0.07 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.10 1wfd h LEU 45 Cb 0.29 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.88 1wfd h LEU 45 CO 0.00 0.12 -0.49 -0.07 0.09 0.00 0.00 178.44 178.10 1wfd h LEU 46 N 0.05 -1.78 -1.34 1.67 3.38 0.89 1.86 115.31 120.04 1wfd h LEU 46 Ca 0.03 0.32 0.04 0.00 0.09 0.00 0.00 57.88 58.36 1wfd h LEU 46 Cb 0.05 0.85 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1wfd h LEU 46 CO -0.00 -0.27 0.48 1.56 0.09 0.00 0.00 178.44 180.30 1wfd h GLN 47 N -0.02 0.81 0.08 1.13 4.20 -1.31 0.38 115.11 120.39 1wfd h GLN 47 Ca 0.25 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 1wfd h GLN 47 Cb 0.51 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wfd h GLN 47 CO -0.95 0.54 -0.04 0.28 -0.67 0.00 0.00 178.83 177.99 1wfd h VAL 48 N 0.84 1.10 0.15 -0.54 2.07 0.29 -2.94 116.25 117.22 1wfd h VAL 48 Ca 0.30 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1wfd h VAL 48 Cb 0.13 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1wfd h VAL 48 CO -0.09 0.16 -0.13 0.25 0.02 0.00 0.00 177.57 177.78 1wfd h LEU 49 N -0.40 -0.34 -1.21 2.57 7.12 0.23 -1.39 115.31 121.88 1wfd h LEU 49 Ca -0.01 0.03 0.45 0.00 0.13 0.00 0.00 57.88 58.48 1wfd h LEU 49 Cb 0.35 0.12 -0.15 0.00 -0.53 0.00 0.00 40.66 40.44 1wfd h LEU 49 CO 0.02 -0.20 0.74 0.29 -0.13 0.00 0.00 178.44 179.15 1wfd n LYS 50 N -5.25 -0.04 -3.23 1.25 4.76 0.13 -0.55 118.16 115.21 1wfd n LYS 50 Ca -0.08 1.29 -0.31 0.00 -2.87 0.00 0.00 58.31 56.34 1wfd n LYS 50 Cb 0.17 -2.44 -0.05 0.00 -1.84 0.00 0.00 35.03 30.87 1wfd n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfd n GLY 51 N -1.41 5.06 2.37 0.72 0.00 -0.53 -4.89 105.19 106.50 1wfd n GLY 51 Ca 0.39 -2.75 -0.26 0.00 0.00 0.00 0.00 46.02 43.40 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 0.79 -0.69 -0.36 2.61 -1.04 0.29 -4.90 114.28 110.98 1wfd n THR 52 Ca 0.30 -3.80 0.35 0.00 -2.04 0.00 0.00 64.05 58.86 1wfd n THR 52 Cb 0.38 -1.81 0.71 0.00 -1.82 0.00 0.00 70.33 67.79 1wfd n THR 52 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1wfd h LYS 53 N 5.02 0.07 -5.72 -2.82 1.79 -1.90 -3.38 116.57 109.64 1wfd h LYS 53 Ca 0.19 -0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 58.16 1wfd h LYS 53 Cb 0.88 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1wfd h LYS 53 CO 0.45 0.05 1.59 -1.21 -1.08 0.00 0.00 179.45 179.25 1wfd s GLU 54 N -5.05 2.38 0.42 3.15 8.01 -1.26 -4.79 118.70 121.55 1wfd s GLU 54 Ca -0.06 1.57 0.09 0.00 0.01 0.00 0.00 54.97 56.58 1wfd s GLU 54 Cb 0.24 -4.53 0.90 0.00 -4.31 0.00 0.00 34.13 26.43 1wfd s GLU 54 CO 0.81 -2.96 2.04 0.66 0.01 0.00 0.00 175.26 175.82 1wfd h SER 55 N 18.35 0.45 -0.32 -0.19 4.64 -2.01 -0.30 113.55 134.16 1wfd h SER 55 Ca -0.29 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 60.87 1wfd h SER 55 Cb 1.26 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1wfd h SER 55 CO 1.11 0.31 -0.41 0.28 -0.87 0.00 0.00 176.83 177.25 1wfd h SER 56 N 0.52 0.91 0.59 4.97 0.02 -1.92 -3.03 113.55 115.62 1wfd h SER 56 Ca 0.18 -0.49 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 1wfd h SER 56 Cb 0.08 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.37 1wfd h SER 56 CO -0.04 1.22 -0.28 0.11 -1.14 0.00 0.00 176.83 176.70 1wfd h LYS 57 N 0.62 -0.76 -0.96 3.45 1.57 -1.59 -2.61 116.57 116.28 1wfd h LYS 57 Ca 0.04 0.05 0.28 0.00 -1.87 0.00 0.00 60.65 59.15 1wfd h LYS 57 Cb 1.00 0.17 -0.17 0.00 0.08 0.00 0.00 32.23 33.31 1wfd h LYS 57 CO 0.10 -0.49 0.13 0.00 -0.57 0.00 0.00 179.45 178.61 1wfd h ARG 58 N -0.84 0.04 -0.41 3.15 3.08 -1.13 1.82 114.38 120.08 1wfd h ARG 58 Ca -0.08 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.03 1wfd h ARG 58 Cb 0.63 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 1wfd h ARG 58 CO 0.13 0.03 0.09 0.00 -1.07 0.00 0.00 179.97 179.15 1wfd h VAL 60 N 0.23 0.85 -0.00 0.00 2.07 0.23 -1.80 116.25 117.83 1wfd h VAL 60 Ca 0.20 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1wfd h VAL 60 Cb 0.23 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1wfd h VAL 60 CO -0.25 0.19 -0.24 -0.07 0.02 0.00 0.00 177.57 177.22 1wfd h LEU 61 N -0.77 -0.73 -1.90 2.57 3.38 0.24 0.60 115.31 118.70 1wfd h LEU 61 Ca -0.03 0.08 0.33 0.00 0.09 0.00 0.00 57.88 58.35 1wfd h LEU 61 Cb 0.51 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1wfd h LEU 61 CO 0.04 -0.23 0.82 0.03 0.09 0.00 0.00 178.44 179.19 1wfd h ARG 62 N -0.29 0.06 -0.01 1.13 3.08 0.14 1.59 114.38 120.08 1wfd h ARG 62 Ca 0.01 -0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1wfd h ARG 62 Cb 0.32 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1wfd h ARG 62 CO -0.16 0.04 -0.73 1.15 -1.07 0.00 0.00 179.97 179.20 1wfd h THR 63 N 0.06 1.50 0.03 2.04 2.02 0.23 -2.39 112.91 116.39 1wfd h THR 63 Ca 0.56 -2.45 -0.00 0.00 0.77 0.00 0.00 66.41 65.29 1wfd h THR 63 Cb 2.13 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 70.86 1wfd h THR 63 CO -0.05 0.70 -0.01 0.11 0.37 0.00 0.00 175.52 176.64 1wfd h LYS 64 N 0.03 -0.04 -0.04 6.66 1.57 0.73 -2.45 116.57 123.04 1wfd h LYS 64 Ca -0.01 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1wfd h LYS 64 Cb 1.30 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1wfd h LYS 64 CO 0.10 0.48 -0.18 0.82 -0.57 0.00 0.00 179.45 180.10 1wfd h ILE 65 N -0.98 0.00 -0.70 1.86 2.04 -0.48 0.46 117.51 119.71 1wfd h ILE 65 Ca -0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.01 1wfd h ILE 65 Cb 0.53 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.49 1wfd h ILE 65 CO 0.01 0.00 0.03 0.77 0.00 0.00 0.00 178.15 178.95 1wfd h SER 66 N -0.20 -0.27 -0.88 1.72 4.64 -1.60 0.62 113.55 117.58 1wfd h SER 66 Ca 0.01 0.17 0.13 0.00 -0.47 0.00 0.00 61.79 61.63 1wfd h SER 66 Cb 0.23 0.30 -0.07 0.00 -0.31 0.00 0.00 62.40 62.55 1wfd h SER 66 CO -0.14 -0.14 0.57 1.23 -0.87 0.00 0.00 176.83 177.48 1wfd h GLY 67 N 0.13 1.21 1.18 -0.77 0.00 -0.74 0.46 103.07 104.54 1wfd h GLY 67 Ca 0.38 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1wfd h GLY 67 CO -0.60 0.12 -0.24 -1.72 0.00 0.00 0.00 176.54 174.11 1wfd n TYR 68 N -4.55 0.00 -0.08 5.60 4.01 0.18 -3.71 117.16 118.60 1wfd n TYR 68 Ca 0.16 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.80 1wfd n TYR 68 Cb 0.42 -0.29 -0.06 0.00 -0.31 0.00 0.00 39.34 39.10 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 0.25 0.00 -0.56 -0.72 2.86 0.39 -3.10 114.93 114.04 1wfd h MET 69 Ca 0.00 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1wfd h MET 69 Cb 0.46 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.01 1wfd h MET 69 CO 0.00 0.41 -0.25 0.22 1.06 0.00 0.00 176.91 178.35 1wfd h ASP 70 N -1.00 -0.88 -0.32 1.22 1.82 -0.97 1.25 116.42 117.54 1wfd h ASP 70 Ca -0.12 0.20 0.03 0.00 -0.39 0.00 0.00 57.03 56.75 1wfd h ASP 70 Cb 0.76 0.47 -0.03 0.00 0.68 0.00 0.00 39.33 41.22 1wfd h ASP 70 CO -0.07 -0.27 0.14 -0.09 -1.61 0.00 0.00 179.24 177.34 1wfd h ARG 71 N -0.11 0.29 0.61 0.28 9.65 -1.75 -0.01 114.38 123.34 1wfd h ARG 71 Ca 0.25 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.09 1wfd h ARG 71 Cb 0.51 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1wfd h ARG 71 CO -0.63 0.19 -0.33 0.00 2.80 0.00 0.00 179.97 182.00 1wfd h ALA 72 N 1.18 -0.88 -0.25 2.80 0.00 -0.74 -2.27 119.26 119.11 1wfd h ALA 72 Ca 0.14 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1wfd h ALA 72 Cb 0.08 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1wfd h ALA 72 CO -0.12 -1.00 -0.39 0.93 0.00 0.00 0.00 179.25 178.67 1wfd h GLU 73 N -0.88 -0.29 -0.99 0.00 5.08 0.17 0.77 114.58 118.44 1wfd h GLU 73 Ca -0.08 0.02 0.32 0.00 -1.00 0.00 0.00 59.36 58.62 1wfd h GLU 73 Cb 0.69 0.07 -0.18 0.00 0.50 0.00 0.00 28.75 29.83 1wfd h GLU 73 CO 0.11 -0.20 0.19 0.09 -1.00 0.00 0.00 179.01 178.20 1wfd n ASN 74 N -4.56 0.03 0.20 1.42 3.02 -0.04 0.81 115.26 116.14 1wfd n ASN 74 Ca -0.03 1.68 -0.08 0.00 -0.03 0.00 0.00 54.58 56.12 1wfd n ASN 74 Cb 0.24 -0.68 -0.04 0.00 -0.61 0.00 0.00 39.78 38.70 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 -1.00 2.41 2.04 -0.02 -2.13 117.51 118.81 1wfd h ILE 75 Ca 0.68 -0.25 0.18 0.00 1.00 0.00 0.00 64.86 66.48 1wfd h ILE 75 Cb 1.56 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.46 1wfd h ILE 75 CO -0.88 0.00 -0.30 0.29 0.00 0.00 0.00 178.15 177.26 1wfd n LYS 76 N -4.10 -0.14 -0.20 2.37 5.02 0.24 0.20 118.16 121.55 1wfd n LYS 76 Ca -0.07 1.55 0.00 0.00 -2.02 0.00 0.00 58.31 57.78 1wfd n LYS 76 Cb 0.21 -2.31 0.11 0.00 -0.02 0.00 0.00 35.03 33.02 1wfd n LYS 76 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1wfd h LYS 77 N 0.00 0.33 -0.38 1.97 6.56 0.39 0.40 116.57 125.84 1wfd h LYS 77 Ca 0.43 -0.02 -0.14 0.00 -1.06 0.00 0.00 60.65 59.86 1wfd h LYS 77 Cb 0.68 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.26 1wfd h LYS 77 CO -1.01 0.22 -0.32 -0.92 -2.06 0.00 0.00 179.45 175.35 1wfd h TYR 78 N 0.34 0.99 0.00 -1.35 3.20 0.31 -2.14 116.97 118.32 1wfd h TYR 78 Ca 0.31 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1wfd h TYR 78 Cb 0.43 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1wfd h TYR 78 CO -0.20 1.05 0.00 1.28 -1.64 0.00 0.00 178.16 178.65 1wfd n LEU 79 N -4.07 0.27 0.05 2.82 4.77 0.43 -0.76 117.00 120.52 1wfd n LEU 79 Ca -0.01 0.59 -0.17 0.00 -0.03 0.00 0.00 56.01 56.39 1wfd n LEU 79 Cb 0.50 -0.59 -0.14 0.00 -2.33 0.00 0.00 43.42 40.86 1wfd n LEU 79 CO 0.47 -0.54 -0.42 -0.78 -1.33 0.00 0.00 177.39 174.79 1wfd h ASP 80 N 0.00 0.40 0.66 -1.43 1.82 -0.31 -2.96 116.42 114.60 1wfd h ASP 80 Ca 0.00 -0.60 -0.25 0.00 -0.39 0.00 0.00 57.03 55.80 1wfd h ASP 80 Cb 0.15 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.03 1wfd h ASP 80 CO 0.00 1.50 -1.11 1.56 -1.61 0.00 0.00 179.24 179.58 1wfd h GLN 81 N 0.07 0.22 -0.25 0.28 4.20 -1.02 -3.27 115.11 115.35 1wfd h GLN 81 Ca -0.28 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.05 1wfd h GLN 81 Cb 2.03 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.92 1wfd h GLN 81 CO 0.15 1.13 -0.00 1.05 -0.67 0.00 0.00 178.83 180.49 1wfd h GLU 82 N 0.08 0.44 -0.63 1.46 4.11 -1.07 -2.79 114.58 116.18 1wfd h GLU 82 Ca -0.09 -0.14 0.13 0.00 0.07 0.00 0.00 59.36 59.33 1wfd h GLU 82 Cb 1.83 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.92 1wfd h GLU 82 CO 0.18 0.62 -0.08 0.87 0.07 0.00 0.00 179.01 180.66 1wfd h LYS 83 N 0.22 0.05 -0.83 1.06 1.57 -1.59 0.39 116.57 117.44 1wfd h LYS 83 Ca 0.07 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1wfd h LYS 83 Cb 0.42 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 1wfd h LYS 83 CO 0.01 0.03 0.49 0.93 -0.57 0.00 0.00 179.45 180.35 1wfd h GLU 84 N 0.05 0.83 0.00 3.15 5.08 -1.57 0.61 114.58 122.73 1wfd h GLU 84 Ca 0.32 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1wfd h GLU 84 Cb 0.51 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1wfd h GLU 84 CO -0.60 0.55 0.00 -0.25 -1.00 0.00 0.00 179.01 177.71 1wfd n ASP 85 N -4.70 0.00 -0.55 1.42 8.00 0.12 -3.38 116.55 117.46 1wfd n ASP 85 Ca 0.13 0.46 0.43 0.00 0.71 0.00 0.00 54.79 56.51 1wfd n ASP 85 Cb 0.23 -0.48 0.67 0.00 -0.02 0.00 0.00 41.12 41.52 1wfd n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfd n GLY 86 N -0.20 -0.81 4.32 0.44 0.00 0.21 -4.69 105.19 104.46 1wfd n GLY 86 Ca 0.03 0.62 -0.31 0.00 0.00 0.00 0.00 46.02 46.36 1wfd n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wfd n LYS 87 N -3.91 -0.94 -0.52 1.61 2.85 -1.22 -4.33 118.16 111.71 1wfd n LYS 87 Ca 0.37 0.09 0.01 0.00 -1.05 0.00 0.00 58.31 57.73 1wfd n LYS 87 Cb 1.62 -3.59 -0.00 0.00 -0.65 0.00 0.00 35.03 32.41 1wfd n LYS 87 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1wfd n SER 88 N -2.88 -2.78 0.00 -5.58 2.88 -1.26 -5.11 113.62 98.88 1wfd n SER 88 Ca -0.32 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1wfd n SER 88 Cb 0.70 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1wfd n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfd n GLY 89 N -2.00 2.85 3.72 0.46 0.00 -1.26 -5.13 105.19 103.83 1wfd n GLY 89 Ca -0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1wfd n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfd s PRO 90 N -2.00 4.50 0.27 1.61 0.04 -1.26 -5.04 135.00 133.12 1wfd s PRO 90 Ca 0.00 1.73 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1wfd s PRO 90 Cb 0.00 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 1wfd s PRO 90 CO 0.00 -0.12 0.40 0.45 0.04 0.00 0.00 177.00 177.77 1wfd s SER 91 N 0.60 6.28 -0.19 6.66 0.15 -1.26 -4.78 113.70 121.16 1wfd s SER 91 Ca 0.55 0.11 -0.00 0.00 0.70 0.00 0.00 55.95 57.31 1wfd s SER 91 Cb -0.29 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1wfd s SER 91 CO 0.32 -0.14 0.00 -1.20 1.20 0.00 0.00 173.24 173.41 1wfd n SER 92 N -1.50 -7.49 0.00 5.45 7.64 -1.26 -5.36 113.62 111.11 1wfd n SER 92 Ca -0.07 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1wfd n SER 92 Cb 0.57 -3.92 0.00 0.00 -1.01 0.00 0.00 64.21 59.85 1wfd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64