#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 6.09 -0.33 1.61 0.15 -1.26 -5.08 113.70 114.89 1wfd s SER 2 Ca 0.00 0.65 -0.01 0.00 0.70 0.00 0.00 55.95 57.29 1wfd s SER 2 Cb 0.00 -1.98 0.19 0.00 -1.71 0.00 0.00 66.02 62.52 1wfd s SER 2 CO 0.00 -0.60 0.80 -0.44 1.20 0.00 0.00 173.24 174.20 1wfd s SER 3 N -4.14 -1.06 0.00 5.45 0.01 -1.26 -5.17 113.70 107.54 1wfd s SER 3 Ca 0.47 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1wfd s SER 3 Cb -0.10 1.54 0.00 0.00 0.21 0.00 0.00 66.02 67.67 1wfd s SER 3 CO 0.41 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.51 1wfd n GLY 4 N 4.81 5.72 3.82 3.44 0.00 -1.26 -5.17 105.19 116.55 1wfd n GLY 4 Ca 0.08 -2.01 -0.22 0.00 0.00 0.00 0.00 46.02 43.86 1wfd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfd s SER 5 N -0.03 5.06 0.11 1.61 1.04 -1.26 -5.07 113.70 115.17 1wfd s SER 5 Ca 0.00 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1wfd s SER 5 Cb 0.00 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.27 1wfd s SER 5 CO 0.00 -0.37 0.00 -0.24 0.98 0.00 0.00 173.24 173.61 1wfd n SER 6 N -1.32 0.99 0.00 7.02 2.88 -1.26 -5.11 113.62 116.82 1wfd n SER 6 Ca -0.02 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1wfd n SER 6 Cb 0.60 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1wfd n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfd n GLY 7 N 3.35 1.56 4.41 0.46 0.00 -1.26 -4.88 105.19 108.83 1wfd n GLY 7 Ca 0.00 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 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 12.87 -0.75 -1.32 1.61 10.64 -1.26 -4.76 117.38 134.42 1wfd n GLN 8 Ca 0.00 0.13 -0.38 0.00 -1.83 0.00 0.00 57.00 54.92 1wfd n GLN 8 Cb 0.00 -4.39 0.03 0.00 -0.86 0.00 0.00 30.24 25.02 1wfd n GLN 8 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1wfd n ASP 9 N -2.39 -2.61 -3.24 2.61 8.00 -1.26 -4.99 116.55 112.67 1wfd n ASP 9 Ca 0.06 0.66 -0.17 0.00 0.71 0.00 0.00 54.79 56.04 1wfd n ASP 9 Cb 0.47 -0.99 -0.06 0.00 -0.02 0.00 0.00 41.12 40.51 1wfd n ASP 9 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1wfd s SER 10 N -1.10 1.32 -0.06 -2.24 0.01 -1.26 -5.03 113.70 105.32 1wfd s SER 10 Ca 0.61 -1.63 -0.05 0.00 1.31 0.00 0.00 55.95 56.19 1wfd s SER 10 Cb -0.45 0.63 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 1wfd s SER 10 CO 0.62 -1.21 0.22 0.44 0.41 0.00 0.00 173.24 173.71 1wfd h ASP 11 N 2.10 -0.14 0.44 2.44 5.19 -2.02 -3.24 116.42 121.19 1wfd h ASP 11 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1wfd h ASP 11 Cb 1.24 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.78 1wfd h ASP 11 CO 0.37 0.26 0.00 0.28 -3.12 0.00 0.00 179.24 177.03 1wfd h SER 12 N -0.89 0.00 0.89 6.45 0.02 -1.98 -2.99 113.55 115.04 1wfd h SER 12 Ca -0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 1wfd h SER 12 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1wfd h SER 12 CO 0.03 0.00 -0.46 0.74 -1.14 0.00 0.00 176.83 175.99 1wfd h THR 13 N 0.00 0.00 -1.09 -2.27 2.02 -1.96 -0.77 112.91 108.83 1wfd h THR 13 Ca 0.00 0.00 0.40 0.00 0.77 0.00 0.00 66.41 67.58 1wfd h THR 13 Cb 0.22 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.47 1wfd h THR 13 CO 0.00 0.00 0.64 0.00 0.37 0.00 0.00 175.52 176.53 1wfd h ALA 14 N -1.34 2.28 0.10 6.16 0.00 -1.55 1.15 119.26 126.05 1wfd h ALA 14 Ca -0.12 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wfd h ALA 14 Cb 0.97 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wfd h ALA 14 CO 0.18 -0.98 -0.05 0.00 0.00 0.00 0.00 179.25 178.40 1wfd h ALA 15 N 1.85 -0.14 -1.00 0.00 0.00 -1.51 0.58 119.26 119.03 1wfd h ALA 15 Ca 0.81 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.78 1wfd h ALA 15 Cb 2.20 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 19.93 1wfd h ALA 15 CO -0.63 -0.44 0.60 0.28 0.00 0.00 0.00 179.25 179.07 1wfd h VAL 16 N -0.42 0.66 0.36 0.00 2.07 0.27 1.39 116.25 120.58 1wfd h VAL 16 Ca -0.01 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1wfd h VAL 16 Cb 0.35 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1wfd h VAL 16 CO 0.02 0.13 -0.17 0.00 0.02 0.00 0.00 177.57 177.57 1wfd h ALA 17 N 1.67 -0.48 -1.03 1.67 0.00 -0.61 0.68 119.26 121.16 1wfd h ALA 17 Ca 0.60 -0.11 0.29 0.00 0.00 0.00 0.00 54.91 55.68 1wfd h ALA 17 Cb 0.98 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1wfd h ALA 17 CO -0.41 -0.45 0.72 -0.24 0.00 0.00 0.00 179.25 178.87 1wfd h VAL 18 N -1.12 0.50 0.04 0.00 3.04 0.89 0.91 116.25 120.52 1wfd h VAL 18 Ca -0.05 -0.04 -0.28 0.00 -1.01 0.00 0.00 66.70 65.32 1wfd h VAL 18 Cb 0.38 0.38 0.02 0.00 -2.01 0.00 0.00 31.29 30.06 1wfd h VAL 18 CO 0.08 0.02 -1.12 -0.07 -1.01 0.00 0.00 177.57 175.48 1wfd h LEU 19 N 0.12 0.91 -0.30 3.16 3.38 0.19 -1.54 115.31 121.22 1wfd h LEU 19 Ca 0.51 -0.77 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1wfd h LEU 19 Cb 1.82 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1wfd h LEU 19 CO -0.08 1.57 0.10 0.50 0.09 0.00 0.00 178.44 180.62 1wfd h LYS 20 N 0.35 0.47 0.14 1.13 1.63 0.30 -2.35 116.57 118.24 1wfd h LYS 20 Ca -0.15 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.55 1wfd h LYS 20 Cb 1.78 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.34 1wfd h LYS 20 CO 0.22 0.50 -0.07 0.00 -3.45 0.00 0.00 179.45 176.65 1wfd h ARG 21 N 0.33 -0.19 -0.68 1.90 2.47 -0.01 -2.79 114.38 115.42 1wfd h ARG 21 Ca 0.10 0.01 0.10 0.00 -1.26 0.00 0.00 59.98 58.93 1wfd h ARG 21 Cb 0.22 0.04 -0.12 0.00 -1.65 0.00 0.00 29.97 28.47 1wfd h ARG 21 CO -0.00 -0.04 -0.43 0.00 0.56 0.00 0.00 179.97 180.06 1wfd h ALA 22 N 0.55 -0.24 -0.71 0.04 0.00 -1.18 0.51 119.26 118.23 1wfd h ALA 22 Ca -0.02 0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1wfd h ALA 22 Cb 0.24 0.99 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1wfd h ALA 22 CO 0.03 -0.79 -0.13 0.28 0.00 0.00 0.00 179.25 178.64 1wfd h VAL 23 N -0.17 0.31 0.09 0.00 2.07 -1.29 0.63 116.25 117.90 1wfd h VAL 23 Ca 0.21 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.74 1wfd h VAL 23 Cb 0.55 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1wfd h VAL 23 CO -0.76 0.00 -0.31 -0.33 0.02 0.00 0.00 177.57 176.20 1wfd h GLU 24 N 0.02 -0.50 -0.62 1.57 5.08 0.19 0.97 114.58 121.30 1wfd h GLU 24 Ca 0.35 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.83 1wfd h GLU 24 Cb 0.56 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 1wfd h GLU 24 CO -0.70 -0.33 0.28 -0.07 -1.00 0.00 0.00 179.01 177.18 1wfd h LEU 25 N -0.52 0.35 -1.92 1.33 3.38 0.11 0.67 115.31 118.71 1wfd h LEU 25 Ca 0.04 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1wfd h LEU 25 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1wfd h LEU 25 CO -0.20 0.21 0.24 -0.78 0.09 0.00 0.00 178.44 178.01 1wfd h ASP 26 N 0.50 0.08 1.19 -0.43 3.58 0.11 0.43 116.42 121.89 1wfd h ASP 26 Ca 0.30 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.65 1wfd h ASP 26 Cb 0.31 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1wfd h ASP 26 CO -0.25 0.05 -0.85 0.00 -2.88 0.00 0.00 179.24 175.31 1wfd h ALA 27 N 1.83 0.67 -0.02 -0.78 0.00 0.21 -3.18 119.26 117.98 1wfd h ALA 27 Ca 0.16 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1wfd h ALA 27 Cb 0.52 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1wfd h ALA 27 CO -0.02 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.19 1wfd n GLU 28 N -3.01 1.35 -0.97 0.00 -0.58 0.19 -4.86 120.64 112.77 1wfd n GLU 28 Ca -0.02 -0.52 0.00 0.00 -0.42 0.00 0.00 57.16 56.20 1wfd n GLU 28 Cb 0.72 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 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 -0.36 -0.48 -3.52 1.62 3.41 0.05 -4.91 113.62 109.44 1wfd n SER 29 Ca 0.20 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.41 1wfd n SER 29 Cb 0.23 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 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 -2.11 4.00 -0.09 4.33 1.74 0.56 -4.66 116.66 120.43 1wfd n ARG 30 Ca 0.00 -3.01 0.04 0.00 -0.77 0.00 0.00 57.85 54.11 1wfd n ARG 30 Cb 0.01 -2.79 0.38 0.00 -1.02 0.00 0.00 32.46 29.03 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 5.04 0.65 0.00 -1.55 0.05 -1.88 0.45 116.97 119.72 1wfd h TYR 31 Ca 0.69 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.49 1wfd h TYR 31 Cb 0.38 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1wfd h TYR 31 CO 1.62 0.39 0.00 1.96 -1.05 0.00 0.00 178.16 181.08 1wfd h GLN 32 N 0.69 0.00 0.00 4.88 1.08 -1.95 0.30 115.11 120.11 1wfd h GLN 32 Ca 0.21 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.13 1wfd h GLN 32 Cb 0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 1wfd h GLN 32 CO -0.05 0.00 -2.08 1.04 -0.95 0.00 0.00 178.83 176.78 1wfd n GLN 33 N -3.04 0.96 0.26 1.46 6.02 0.22 -4.26 117.38 119.00 1wfd n GLN 33 Ca -0.03 0.06 0.17 0.00 -0.01 0.00 0.00 57.00 57.19 1wfd n GLN 33 Cb 0.09 -1.39 0.69 0.00 1.02 0.00 0.00 30.24 30.64 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 0.35 1.00 0.25 -1.58 0.00 0.35 -2.35 119.26 117.27 1wfd h ALA 34 Ca -0.43 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1wfd h ALA 34 Cb 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1wfd h ALA 34 CO -0.03 0.00 -0.12 1.25 0.00 0.00 0.00 179.25 180.35 1wfd h LEU 35 N 0.00 -0.28 -0.58 0.00 7.12 -0.62 -0.49 115.31 120.46 1wfd h LEU 35 Ca 0.00 0.01 0.12 0.00 0.13 0.00 0.00 57.88 58.14 1wfd h LEU 35 Cb 0.46 0.07 -0.10 0.00 -0.53 0.00 0.00 40.66 40.56 1wfd h LEU 35 CO 0.00 -0.03 -0.05 -0.37 -0.13 0.00 0.00 178.44 177.85 1wfd h VAL 36 N -0.68 0.48 0.21 1.05 -1.51 -1.73 0.34 116.25 114.42 1wfd h VAL 36 Ca -0.03 -0.02 0.01 0.00 -1.23 0.00 0.00 66.70 65.42 1wfd h VAL 36 Cb 0.26 0.41 -0.04 0.00 -2.13 0.00 0.00 31.29 29.79 1wfd h VAL 36 CO 0.06 0.01 -0.41 0.00 -1.23 0.00 0.00 177.57 176.00 1wfd h TYR 38 N -0.71 0.81 -0.27 0.00 0.05 0.55 0.97 116.97 118.38 1wfd h TYR 38 Ca 0.00 0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.69 1wfd h TYR 38 Cb 0.69 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 1wfd h TYR 38 CO -0.31 0.09 -0.35 1.96 -1.05 0.00 0.00 178.16 178.50 1wfd h GLN 39 N 0.56 0.72 -0.73 4.88 1.08 0.86 -1.44 115.11 121.04 1wfd h GLN 39 Ca 0.54 -0.41 0.11 0.00 -1.45 0.00 0.00 58.65 57.44 1wfd h GLN 39 Cb 0.92 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 28.30 1wfd h GLN 39 CO -0.44 1.03 0.35 0.93 -0.95 0.00 0.00 178.83 179.75 1wfd h GLU 40 N 0.46 0.56 -0.13 1.46 4.39 0.39 0.29 114.58 121.99 1wfd h GLU 40 Ca 0.03 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1wfd h GLU 40 Cb 0.93 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1wfd h GLU 40 CO 0.08 0.37 -0.15 0.78 -1.16 0.00 0.00 179.01 178.94 1wfd h GLY 41 N 0.57 0.36 0.44 -3.84 0.00 -1.01 -2.53 103.07 97.07 1wfd h GLY 41 Ca 0.37 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1wfd h GLY 41 CO -0.30 0.34 -0.33 -2.22 0.00 0.00 0.00 176.54 174.03 1wfd h ILE 42 N -0.06 0.30 -0.74 2.60 2.04 -0.53 0.68 117.51 121.80 1wfd h ILE 42 Ca 0.02 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.04 1wfd h ILE 42 Cb 0.68 0.30 -0.11 0.00 -0.74 0.00 0.00 36.82 36.95 1wfd h ILE 42 CO 0.04 0.00 0.18 -0.78 0.00 0.00 0.00 178.15 177.59 1wfd h ASP 43 N -0.57 0.02 0.48 1.72 1.82 -0.50 0.69 116.42 120.09 1wfd h ASP 43 Ca 0.03 0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 56.79 1wfd h ASP 43 Cb 0.59 0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.80 1wfd h ASP 43 CO -0.18 -0.04 -0.23 0.24 -1.61 0.00 0.00 179.24 177.42 1wfd h MET 44 N 0.27 -0.63 -0.28 0.28 2.86 -0.79 -2.85 114.93 113.80 1wfd h MET 44 Ca 0.42 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 58.17 1wfd h MET 44 Cb 0.72 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 32.45 1wfd h MET 44 CO -0.51 -0.35 -0.18 -0.07 1.06 0.00 0.00 176.91 176.86 1wfd h LEU 45 N -0.81 -0.59 -0.96 1.22 3.38 0.14 -0.50 115.31 117.19 1wfd h LEU 45 Ca -0.07 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1wfd h LEU 45 Cb 0.57 0.30 -0.13 0.00 0.09 0.00 0.00 40.66 41.49 1wfd h LEU 45 CO 0.11 -0.22 -0.49 0.18 0.09 0.00 0.00 178.44 178.11 1wfd n LEU 46 N -5.34 -0.86 -0.30 1.67 4.77 0.23 0.19 117.00 117.36 1wfd n LEU 46 Ca -0.00 1.70 0.01 0.00 -0.03 0.00 0.00 56.01 57.68 1wfd n LEU 46 Cb 0.26 -0.29 0.20 0.00 -2.33 0.00 0.00 43.42 41.26 1wfd n LEU 46 CO 0.16 -1.44 1.26 1.56 -1.33 0.00 0.00 177.39 177.60 1wfd h GLN 47 N 0.00 1.11 0.08 3.23 4.20 -1.08 -1.40 115.11 121.25 1wfd h GLN 47 Ca 0.23 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1wfd h GLN 47 Cb 0.47 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1wfd h GLN 47 CO -0.92 0.73 -0.04 0.28 -0.67 0.00 0.00 178.83 178.21 1wfd h VAL 48 N 1.14 1.01 -0.73 -0.54 2.07 0.36 -2.34 116.25 117.22 1wfd h VAL 48 Ca 0.34 -0.30 0.14 0.00 0.82 0.00 0.00 66.70 67.70 1wfd h VAL 48 Cb -0.03 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.86 1wfd h VAL 48 CO -0.10 0.08 0.26 0.25 0.02 0.00 0.00 177.57 178.08 1wfd h LEU 49 N -0.24 0.20 -1.18 2.57 6.46 0.23 1.23 115.31 124.58 1wfd h LEU 49 Ca -0.01 0.11 0.12 0.00 -0.12 0.00 0.00 57.88 57.99 1wfd h LEU 49 Cb 0.21 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.17 1wfd h LEU 49 CO 0.02 0.07 0.59 0.11 -0.62 0.00 0.00 178.44 178.61 1wfd h LYS 50 N 0.39 0.80 0.00 1.25 1.79 -0.91 0.44 116.57 120.34 1wfd h LYS 50 Ca 0.40 -0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 58.64 1wfd h LYS 50 Cb 0.61 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 1wfd h LYS 50 CO -0.42 0.53 -0.96 0.78 -1.08 0.00 0.00 179.45 178.30 1wfd h GLY 51 N 0.83 0.00 -5.42 3.86 0.00 0.44 -3.45 103.07 99.33 1wfd h GLY 51 Ca 0.45 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.24 1wfd h GLY 51 CO -0.22 0.00 1.16 -1.59 0.00 0.00 0.00 176.54 175.89 1wfd s THR 52 N -2.81 3.36 -0.24 4.70 2.01 0.37 -4.86 115.64 118.17 1wfd s THR 52 Ca 0.01 0.43 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 1wfd s THR 52 Cb 0.09 -3.29 -0.16 0.00 0.01 0.00 0.00 72.50 69.14 1wfd s THR 52 CO 0.79 -0.05 -0.15 1.17 -0.69 0.00 0.00 174.62 175.69 1wfd n LYS 53 N 7.38 0.63 -1.33 4.92 0.00 -1.26 -4.78 118.16 123.72 1wfd n LYS 53 Ca 0.19 0.27 -0.55 0.00 0.00 0.00 0.00 58.31 58.22 1wfd n LYS 53 Cb 0.42 -1.56 -0.11 0.00 0.00 0.00 0.00 35.03 33.78 1wfd n LYS 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wfd n GLU 54 N -3.87 0.24 0.23 1.64 -0.58 -1.26 -4.70 120.64 112.34 1wfd n GLU 54 Ca -0.46 0.06 0.16 0.00 -0.42 0.00 0.00 57.16 56.50 1wfd n GLU 54 Cb 0.91 -1.73 0.72 0.00 -0.57 0.00 0.00 31.44 30.77 1wfd n GLU 54 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1wfd h SER 55 N 10.31 0.00 0.00 1.62 0.87 -2.00 0.17 113.55 124.52 1wfd h SER 55 Ca -0.13 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1wfd h SER 55 Cb 1.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1wfd h SER 55 CO 1.12 0.00 -0.00 0.77 -0.53 0.00 0.00 176.83 178.19 1wfd h SER 56 N 0.00 -0.00 0.13 6.23 4.64 -2.00 -3.12 113.55 119.43 1wfd h SER 56 Ca 0.09 -0.90 0.02 0.00 -0.47 0.00 0.00 61.79 60.52 1wfd h SER 56 Cb 0.98 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.04 1wfd h SER 56 CO -0.00 0.91 -0.26 0.11 -0.87 0.00 0.00 176.83 176.72 1wfd h LYS 57 N -0.92 -0.45 -0.97 4.77 1.57 -1.08 -1.07 116.57 118.42 1wfd h LYS 57 Ca -0.00 0.03 0.28 0.00 -1.87 0.00 0.00 60.65 59.09 1wfd h LYS 57 Cb 0.90 0.10 -0.14 0.00 0.08 0.00 0.00 32.23 33.18 1wfd h LYS 57 CO 0.00 -0.30 0.50 0.00 -0.57 0.00 0.00 179.45 179.08 1wfd h ARG 58 N -0.47 0.36 -0.28 3.15 3.08 -1.30 0.95 114.38 119.88 1wfd h ARG 58 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1wfd h ARG 58 Cb 0.49 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1wfd h ARG 58 CO -0.14 0.24 0.18 0.00 -1.07 0.00 0.00 179.97 179.18 1wfd h VAL 60 N 0.37 0.60 0.09 0.00 2.07 0.13 -1.11 116.25 118.40 1wfd h VAL 60 Ca 0.10 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1wfd h VAL 60 Cb -0.03 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1wfd h VAL 60 CO -0.02 0.06 -0.38 -0.07 0.02 0.00 0.00 177.57 177.18 1wfd h LEU 61 N -0.74 -1.14 -1.96 2.57 3.38 0.68 1.07 115.31 119.18 1wfd h LEU 61 Ca -0.05 0.12 0.36 0.00 0.09 0.00 0.00 57.88 58.40 1wfd h LEU 61 Cb 0.51 0.42 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 1wfd h LEU 61 CO 0.09 -0.40 0.90 0.03 0.09 0.00 0.00 178.44 179.15 1wfd h ARG 62 N -0.54 0.02 0.03 1.13 3.08 0.34 1.75 114.38 120.19 1wfd h ARG 62 Ca -0.00 -0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 1wfd h ARG 62 Cb 0.54 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1wfd h ARG 62 CO -0.20 0.01 -1.15 1.15 -1.07 0.00 0.00 179.97 178.71 1wfd h THR 63 N 0.02 1.55 0.02 2.04 2.02 0.65 -2.96 112.91 116.25 1wfd h THR 63 Ca 0.61 -3.25 -0.00 0.00 0.77 0.00 0.00 66.41 64.54 1wfd h THR 63 Cb 2.38 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 71.60 1wfd h THR 63 CO -0.03 0.90 -0.01 0.11 0.37 0.00 0.00 175.52 176.86 1wfd h LYS 64 N 0.02 -0.03 -0.09 6.66 1.57 1.03 -2.21 116.57 123.52 1wfd h LYS 64 Ca -0.08 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1wfd h LYS 64 Cb 1.85 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 34.14 1wfd h LYS 64 CO 0.14 0.46 -0.21 0.82 -0.57 0.00 0.00 179.45 180.09 1wfd h ILE 65 N -0.99 0.00 -0.51 1.86 2.04 0.12 0.53 117.51 120.56 1wfd h ILE 65 Ca -0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1wfd h ILE 65 Cb 0.50 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.49 1wfd h ILE 65 CO 0.01 0.00 -0.09 -1.28 0.00 0.00 0.00 178.15 176.79 1wfd h SER 66 N -0.19 -0.39 -0.75 1.72 0.87 -1.69 0.56 113.55 113.68 1wfd h SER 66 Ca 0.02 0.14 0.19 0.00 -1.23 0.00 0.00 61.79 60.91 1wfd h SER 66 Cb 0.24 0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 1wfd h SER 66 CO -0.18 -0.14 0.52 1.23 -0.53 0.00 0.00 176.83 177.73 1wfd h GLY 67 N 0.03 0.32 0.94 5.77 0.00 -0.62 0.64 103.07 110.15 1wfd h GLY 67 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1wfd h GLY 67 CO -0.50 0.01 -0.76 -1.72 0.00 0.00 0.00 176.54 173.58 1wfd n TYR 68 N -4.40 0.39 0.10 5.60 4.01 0.17 -3.89 117.16 119.15 1wfd n TYR 68 Ca 0.15 0.11 -0.22 0.00 -0.16 0.00 0.00 57.90 57.78 1wfd n TYR 68 Cb 0.71 -0.53 -0.15 0.00 -0.31 0.00 0.00 39.34 39.05 1wfd n TYR 68 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 1wfd h MET 69 N 0.00 0.43 -0.25 -0.72 2.86 0.49 -2.85 114.93 114.88 1wfd h MET 69 Ca 0.00 -0.73 0.00 0.00 -2.06 0.00 0.00 59.70 56.92 1wfd h MET 69 Cb 0.71 0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 1wfd h MET 69 CO 0.00 1.33 0.16 0.22 1.06 0.00 0.00 176.91 179.69 1wfd h ASP 70 N 0.12 0.28 -0.27 1.22 1.82 -0.99 0.36 116.42 118.95 1wfd h ASP 70 Ca -0.28 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.35 1wfd h ASP 70 Cb 2.11 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 42.04 1wfd h ASP 70 CO 0.22 0.20 0.14 -0.09 -1.61 0.00 0.00 179.24 178.10 1wfd h ARG 71 N 0.33 0.37 0.28 0.28 9.65 -1.68 -1.09 114.38 122.52 1wfd h ARG 71 Ca 0.09 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1wfd h ARG 71 Cb -0.03 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 1wfd h ARG 71 CO -0.03 0.34 -0.24 0.00 2.80 0.00 0.00 179.97 182.85 1wfd h ALA 72 N 1.01 -0.52 -0.01 2.80 0.00 -1.22 -1.27 119.26 120.06 1wfd h ALA 72 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wfd h ALA 72 Cb 0.08 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1wfd h ALA 72 CO -0.01 -0.81 -0.04 0.93 0.00 0.00 0.00 179.25 179.31 1wfd h GLU 73 N -0.53 -0.05 -0.94 0.00 5.08 -0.14 0.92 114.58 118.91 1wfd h GLU 73 Ca -0.01 0.00 0.34 0.00 -1.00 0.00 0.00 59.36 58.69 1wfd h GLU 73 Cb 0.47 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.56 1wfd h GLU 73 CO -0.03 -0.03 0.29 -1.71 -1.00 0.00 0.00 179.01 176.53 1wfd n ASN 74 N -2.78 0.14 0.32 1.42 2.85 -0.43 0.15 115.26 116.92 1wfd n ASN 74 Ca -0.01 1.58 -0.13 0.00 -0.11 0.00 0.00 54.58 55.92 1wfd n ASN 74 Cb 0.03 -0.69 -0.06 0.00 1.24 0.00 0.00 39.78 40.31 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 -0.64 -1.44 2.04 0.14 -0.42 117.51 117.19 1wfd h ILE 75 Ca 0.70 -0.20 0.13 0.00 1.00 0.00 0.00 64.86 66.49 1wfd h ILE 75 Cb 1.71 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.68 1wfd h ILE 75 CO -0.80 0.00 -0.05 0.11 0.00 0.00 0.00 178.15 177.41 1wfd h LYS 76 N -1.03 0.07 -0.08 2.37 1.57 0.52 1.99 116.57 121.98 1wfd h LYS 76 Ca -0.08 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1wfd h LYS 76 Cb 0.63 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1wfd h LYS 76 CO 0.14 0.05 0.08 0.87 -0.57 0.00 0.00 179.45 180.01 1wfd h LYS 77 N 0.07 0.00 0.00 3.15 6.56 0.14 1.52 116.57 128.01 1wfd h LYS 77 Ca 0.33 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.86 1wfd h LYS 77 Cb 0.53 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.18 1wfd h LYS 77 CO -0.59 0.00 -1.24 0.98 -2.06 0.00 0.00 179.45 176.54 1wfd n TYR 78 N -4.07 0.88 -0.07 -1.35 9.36 0.51 -3.59 117.16 118.82 1wfd n TYR 78 Ca -0.01 0.27 -0.20 0.00 3.32 0.00 0.00 57.90 61.28 1wfd n TYR 78 Cb 0.18 -0.96 -0.12 0.00 -0.63 0.00 0.00 39.34 37.80 1wfd n TYR 78 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1wfd h LEU 79 N 0.00 0.09 -1.82 2.98 3.38 0.50 -2.71 115.31 117.73 1wfd h LEU 79 Ca -0.06 -0.71 0.17 0.00 0.09 0.00 0.00 57.88 57.38 1wfd h LEU 79 Cb 1.20 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1wfd h LEU 79 CO 0.01 1.41 0.49 0.44 0.09 0.00 0.00 178.44 180.88 1wfd h ASP 80 N -0.83 0.17 0.28 -0.43 3.32 0.18 1.33 116.42 120.44 1wfd h ASP 80 Ca -0.26 0.01 -0.31 0.00 0.02 0.00 0.00 57.03 56.49 1wfd h ASP 80 Cb 1.34 -0.02 0.03 0.00 0.22 0.00 0.00 39.33 40.90 1wfd h ASP 80 CO -0.10 0.08 -1.36 0.06 -1.72 0.00 0.00 179.24 176.20 1wfd h GLN 81 N 0.17 0.53 -0.31 3.56 3.07 -1.67 -0.97 115.11 119.49 1wfd h GLN 81 Ca 0.34 -0.82 -0.17 0.00 0.09 0.00 0.00 58.65 58.09 1wfd h GLN 81 Cb 1.09 0.29 -0.00 0.00 0.08 0.00 0.00 27.48 28.94 1wfd h GLN 81 CO -0.06 1.38 -0.48 0.93 0.09 0.00 0.00 178.83 180.69 1wfd h GLU 82 N 0.18 0.86 -0.15 0.06 4.39 -0.40 -3.01 114.58 116.51 1wfd h GLU 82 Ca -0.21 -0.51 -0.18 0.00 0.34 0.00 0.00 59.36 58.80 1wfd h GLU 82 Cb 2.05 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.74 1wfd h GLU 82 CO 0.25 1.14 -0.66 1.57 -1.16 0.00 0.00 179.01 180.16 1wfd h LYS 83 N 0.68 0.58 0.00 2.33 2.10 0.16 -2.63 116.57 119.78 1wfd h LYS 83 Ca 0.03 -0.42 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1wfd h LYS 83 Cb 1.08 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1wfd h LYS 83 CO 0.11 1.04 0.00 0.39 -2.00 0.00 0.00 179.45 178.99 1wfd n GLU 84 N -3.91 0.12 -0.92 0.07 1.02 -0.37 -1.74 120.64 114.91 1wfd n GLU 84 Ca -0.05 0.61 -0.18 0.00 -0.02 0.00 0.00 57.16 57.52 1wfd n GLU 84 Cb 0.67 -1.90 0.04 0.00 -0.02 0.00 0.00 31.44 30.24 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 -2.16 6.43 -4.18 1.62 -0.08 -0.99 -4.80 116.55 112.39 1wfd n ASP 85 Ca -0.01 -3.12 -0.34 0.00 -1.51 0.00 0.00 54.79 49.81 1wfd n ASP 85 Cb 0.04 -1.03 -0.03 0.00 2.34 0.00 0.00 41.12 42.44 1wfd n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wfd n GLY 86 N 0.20 -0.39 0.27 0.27 0.00 -0.71 -4.92 105.19 99.90 1wfd n GLY 86 Ca 0.33 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 1wfd n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wfd n LYS 87 N -4.40 1.07 -1.41 1.61 5.02 -1.02 -5.09 118.16 113.95 1wfd n LYS 87 Ca -0.01 -0.27 -0.37 0.00 -2.02 0.00 0.00 58.31 55.64 1wfd n LYS 87 Cb 0.54 0.14 0.07 0.00 -0.02 0.00 0.00 35.03 35.75 1wfd n LYS 87 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wfd n SER 88 N -1.86 -0.13 -1.44 4.39 2.88 -1.26 -4.61 113.62 111.59 1wfd n SER 88 Ca -0.01 0.69 -0.02 0.00 -1.33 0.00 0.00 58.87 58.20 1wfd n SER 88 Cb 0.05 -1.32 0.01 0.00 -0.75 0.00 0.00 64.21 62.20 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 1.40 1.72 3.60 0.46 0.00 -1.26 -3.37 105.19 107.73 1wfd n GLY 89 Ca 0.12 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.02 3.55 -0.21 1.61 0.04 -1.26 -4.26 135.00 132.46 1wfd s PRO 90 Ca 0.04 0.90 -0.14 0.00 0.04 0.00 0.00 61.00 61.84 1wfd s PRO 90 Cb -0.01 -4.03 0.02 0.00 0.04 0.00 0.00 34.50 30.51 1wfd s PRO 90 CO 0.03 -1.60 0.26 0.43 0.04 0.00 0.00 177.00 176.16 1wfd n SER 91 N 8.90 -6.44 -3.41 6.66 7.64 -1.26 -3.66 113.62 122.05 1wfd n SER 91 Ca 0.16 0.33 -0.33 0.00 1.01 0.00 0.00 58.87 60.04 1wfd n SER 91 Cb 0.48 -2.20 0.03 0.00 -1.01 0.00 0.00 64.21 61.52 1wfd n SER 91 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfd n SER 92 N 0.65 -5.85 0.00 6.43 2.88 -1.26 -5.26 113.62 111.21 1wfd n SER 92 Ca -0.02 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1wfd n SER 92 Cb 0.51 -2.02 0.00 0.00 -0.75 0.00 0.00 64.21 61.95 1wfd n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42