#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 -7.02 -0.08 1.61 2.88 -1.26 -4.75 113.62 105.00 1wfd n SER 2 Ca 0.00 1.03 -0.10 0.00 -1.33 0.00 0.00 58.87 58.47 1wfd n SER 2 Cb 0.00 -3.63 -0.04 0.00 -0.75 0.00 0.00 64.21 59.79 1wfd n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfd n SER 3 N -1.04 1.86 -3.84 -3.46 7.64 -1.26 -4.90 113.62 108.62 1wfd n SER 3 Ca 0.00 0.51 -0.29 0.00 1.01 0.00 0.00 58.87 60.10 1wfd n SER 3 Cb 0.03 -0.85 -0.16 0.00 -1.01 0.00 0.00 64.21 62.22 1wfd n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfd s GLY 4 N -4.58 1.00 -0.27 0.23 0.00 -1.26 -5.06 107.32 97.39 1wfd s GLY 4 Ca -0.22 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.18 1wfd s GLY 4 CO 0.34 1.19 1.31 -0.45 0.00 0.00 0.00 173.10 175.49 1wfd s SER 5 N 1.62 -0.12 -0.51 1.64 0.15 -1.26 -5.11 113.70 110.11 1wfd s SER 5 Ca -0.03 0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.83 1wfd s SER 5 Cb -0.18 0.16 0.14 0.00 -1.71 0.00 0.00 66.02 64.43 1wfd s SER 5 CO -0.07 -0.08 0.28 -0.44 1.20 0.00 0.00 173.24 174.13 1wfd s SER 6 N -0.55 4.05 -0.29 5.45 0.01 -1.26 -4.89 113.70 116.21 1wfd s SER 6 Ca 0.06 -2.97 -0.02 0.00 1.31 0.00 0.00 55.95 54.34 1wfd s SER 6 Cb -0.03 -1.39 0.19 0.00 0.21 0.00 0.00 66.02 65.01 1wfd s SER 6 CO -0.09 -0.23 0.80 -0.83 0.41 0.00 0.00 173.24 173.30 1wfd s GLY 7 N -0.18 -1.12 -0.49 3.44 0.00 -1.26 -5.11 107.32 102.60 1wfd s GLY 7 Ca 0.18 1.53 -0.44 0.00 0.00 0.00 0.00 44.72 46.00 1wfd s GLY 7 CO -0.02 3.89 1.97 0.61 0.00 0.00 0.00 173.10 179.54 1wfd n GLN 8 N 5.25 0.00 -3.95 2.90 0.00 -1.26 -4.86 117.38 115.46 1wfd n GLN 8 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 56.98 1wfd n GLN 8 Cb 0.56 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 29.29 1wfd n GLN 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1wfd s ASP 9 N 5.14 0.02 0.22 2.61 1.11 -1.26 -5.04 116.67 119.47 1wfd s ASP 9 Ca 1.14 -0.96 0.00 0.00 0.18 0.00 0.00 52.55 52.91 1wfd s ASP 9 Cb -1.47 0.67 0.00 0.00 1.07 0.00 0.00 42.92 43.19 1wfd s ASP 9 CO 0.69 -1.30 0.00 -1.20 1.18 0.00 0.00 175.17 174.54 1wfd n SER 10 N -0.69 -1.19 0.00 0.27 7.64 -1.26 -2.58 113.62 115.81 1wfd n SER 10 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1wfd n SER 10 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1wfd n SER 10 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wfd n ASP 11 N -3.78 0.00 0.26 6.43 8.00 -1.26 -4.33 116.55 121.87 1wfd n ASP 11 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 1wfd n ASP 11 Cb 0.00 0.00 0.77 0.00 -0.02 0.00 0.00 41.12 41.87 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 0.00 0.92 -2.24 0.02 -1.87 -2.01 113.55 108.36 1wfd h SER 12 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1wfd h SER 12 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1wfd h SER 12 CO 0.00 0.00 -0.44 0.74 -1.14 0.00 0.00 176.83 175.99 1wfd h THR 13 N 0.00 0.09 -1.23 -2.27 2.02 -1.80 0.48 112.91 110.21 1wfd h THR 13 Ca 0.00 -0.02 0.36 0.00 0.77 0.00 0.00 66.41 67.52 1wfd h THR 13 Cb 0.35 0.09 -0.09 0.00 -1.74 0.00 0.00 68.15 66.76 1wfd h THR 13 CO 0.00 0.00 0.82 0.00 0.37 0.00 0.00 175.52 176.71 1wfd h ALA 14 N -1.15 2.70 0.01 6.16 0.00 -1.09 0.66 119.26 126.55 1wfd h ALA 14 Ca -0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wfd h ALA 14 Cb 0.94 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1wfd h ALA 14 CO 0.21 -1.17 -0.01 0.00 0.00 0.00 0.00 179.25 178.28 1wfd h ALA 15 N 1.53 -0.01 -1.00 0.00 0.00 -1.45 0.31 119.26 118.63 1wfd h ALA 15 Ca 0.69 -0.25 0.22 0.00 0.00 0.00 0.00 54.91 55.57 1wfd h ALA 15 Cb 2.17 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.86 1wfd h ALA 15 CO -0.26 -0.26 0.62 0.28 0.00 0.00 0.00 179.25 179.63 1wfd h VAL 16 N -0.52 0.62 0.23 0.00 2.07 0.25 1.47 116.25 120.37 1wfd h VAL 16 Ca -0.00 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1wfd h VAL 16 Cb 0.50 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1wfd h VAL 16 CO 0.00 0.11 -0.11 0.00 0.02 0.00 0.00 177.57 177.59 1wfd h ALA 17 N 1.66 -0.31 -1.05 1.67 0.00 -0.92 -0.03 119.26 120.28 1wfd h ALA 17 Ca 0.59 -0.09 0.29 0.00 0.00 0.00 0.00 54.91 55.70 1wfd h ALA 17 Cb 1.12 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1wfd h ALA 17 CO -0.38 -0.30 0.73 -0.24 0.00 0.00 0.00 179.25 179.07 1wfd h VAL 18 N -1.07 0.49 0.02 0.00 3.04 0.39 0.68 116.25 119.81 1wfd h VAL 18 Ca -0.03 -0.04 -0.18 0.00 -1.01 0.00 0.00 66.70 65.43 1wfd h VAL 18 Cb 0.29 0.36 0.02 0.00 -2.01 0.00 0.00 31.29 29.95 1wfd h VAL 18 CO 0.05 0.02 -0.74 -0.07 -1.01 0.00 0.00 177.57 175.83 1wfd h LEU 19 N 0.12 0.61 -0.28 3.16 3.38 0.20 -1.50 115.31 121.00 1wfd h LEU 19 Ca 0.53 -0.78 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1wfd h LEU 19 Cb 1.86 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 1wfd h LEU 19 CO -0.09 1.32 0.13 0.50 0.09 0.00 0.00 178.44 180.39 1wfd h LYS 20 N -0.03 0.27 0.52 1.13 1.63 0.22 -1.81 116.57 118.50 1wfd h LYS 20 Ca -0.10 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 1wfd h LYS 20 Cb 1.45 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 33.02 1wfd h LYS 20 CO 0.14 0.18 -0.25 0.00 -3.45 0.00 0.00 179.45 176.07 1wfd h ARG 21 N 0.28 -0.67 -1.00 1.90 2.47 -0.41 -2.94 114.38 114.01 1wfd h ARG 21 Ca 0.12 0.05 0.12 0.00 -1.26 0.00 0.00 59.98 59.00 1wfd h ARG 21 Cb 0.04 0.15 -0.14 0.00 -1.65 0.00 0.00 29.97 28.38 1wfd h ARG 21 CO -0.09 -0.41 -0.51 0.00 0.56 0.00 0.00 179.97 179.53 1wfd n ALA 22 N -2.45 -0.42 -0.29 0.04 0.00 -0.57 0.71 120.51 117.53 1wfd n ALA 22 Ca -0.12 0.91 -0.03 0.00 0.00 0.00 0.00 53.44 54.21 1wfd n ALA 22 Cb 0.31 -0.27 0.03 0.00 0.00 0.00 0.00 19.45 19.52 1wfd n ALA 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wfd h VAL 23 N 0.00 0.09 0.13 0.00 2.07 -1.24 0.42 116.25 117.73 1wfd h VAL 23 Ca 0.24 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.77 1wfd h VAL 23 Cb 0.49 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1wfd h VAL 23 CO -0.96 0.00 -0.42 -0.33 0.02 0.00 0.00 177.57 175.87 1wfd h GLU 24 N -0.08 -0.61 -0.83 1.57 4.39 0.46 0.65 114.58 120.13 1wfd h GLU 24 Ca 0.30 0.04 0.21 0.00 0.34 0.00 0.00 59.36 60.25 1wfd h GLU 24 Cb 0.58 0.14 -0.14 0.00 -0.10 0.00 0.00 28.75 29.23 1wfd h GLU 24 CO -0.83 -0.40 0.18 -0.07 -1.16 0.00 0.00 179.01 176.72 1wfd h LEU 25 N -0.63 -0.08 -1.37 1.33 3.38 0.48 1.70 115.31 120.12 1wfd h LEU 25 Ca -0.01 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.23 1wfd h LEU 25 Cb 0.62 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1wfd h LEU 25 CO -0.21 -0.14 0.49 -0.78 0.09 0.00 0.00 178.44 177.89 1wfd h ASP 26 N 0.20 0.65 1.75 -0.43 3.58 0.97 0.41 116.42 123.55 1wfd h ASP 26 Ca 0.50 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.94 1wfd h ASP 26 Cb 0.97 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.88 1wfd h ASP 26 CO -0.64 0.41 -0.25 0.00 -2.88 0.00 0.00 179.24 175.88 1wfd h ALA 27 N 1.61 0.87 -0.03 -0.78 0.00 0.43 -3.03 119.26 118.33 1wfd h ALA 27 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1wfd h ALA 27 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wfd h ALA 27 CO -0.12 0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.66 1wfd n GLU 28 N -3.07 1.45 -0.97 0.00 -0.58 0.30 -4.87 120.64 112.91 1wfd n GLU 28 Ca 0.03 -0.66 0.00 0.00 -0.42 0.00 0.00 57.16 56.11 1wfd n GLU 28 Cb 0.58 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 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 -0.19 -0.37 -2.96 1.62 7.64 0.01 -4.90 113.62 114.47 1wfd n SER 29 Ca 0.20 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.76 1wfd n SER 29 Cb 0.27 -0.23 -0.05 0.00 -1.01 0.00 0.00 64.21 63.19 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 -2.09 3.45 0.03 1.43 1.74 0.94 -4.63 116.66 117.53 1wfd n ARG 30 Ca 0.00 -2.51 0.19 0.00 -0.77 0.00 0.00 57.85 54.76 1wfd n ARG 30 Cb 0.00 -2.45 0.68 0.00 -1.02 0.00 0.00 32.46 29.68 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 4.04 0.00 0.00 -1.55 0.05 -1.86 0.63 116.97 118.28 1wfd h TYR 31 Ca 0.59 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.37 1wfd h TYR 31 Cb 0.60 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1wfd h TYR 31 CO 1.67 0.00 0.00 0.37 -1.05 0.00 0.00 178.16 179.15 1wfd h GLN 32 N 0.00 0.00 0.00 4.88 -0.00 -1.94 0.89 115.11 118.95 1wfd h GLN 32 Ca 0.22 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.61 1wfd h GLN 32 Cb 0.90 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.33 1wfd h GLN 32 CO -0.00 0.00 -1.99 1.04 0.00 0.00 0.00 178.83 177.88 1wfd n GLN 33 N -2.86 1.35 0.25 1.69 6.02 0.18 -4.29 117.38 119.72 1wfd n GLN 33 Ca -0.00 0.02 0.14 0.00 -0.01 0.00 0.00 57.00 57.15 1wfd n GLN 33 Cb 0.20 -1.36 0.55 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 0.51 1.00 0.42 -1.58 0.00 -0.22 -2.42 119.26 116.97 1wfd h ALA 34 Ca -0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1wfd h ALA 34 Cb 1.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1wfd h ALA 34 CO -0.00 0.10 -0.20 1.25 0.00 0.00 0.00 179.25 180.39 1wfd h LEU 35 N 0.00 -0.48 -0.47 0.00 7.12 -1.02 0.80 115.31 121.25 1wfd h LEU 35 Ca -0.00 0.02 0.09 0.00 0.13 0.00 0.00 57.88 58.12 1wfd h LEU 35 Cb 0.65 0.12 -0.08 0.00 -0.53 0.00 0.00 40.66 40.83 1wfd h LEU 35 CO 0.01 -0.16 -0.04 -0.37 -0.13 0.00 0.00 178.44 177.75 1wfd h VAL 36 N -0.93 0.59 0.24 1.05 -1.51 -1.74 0.39 116.25 114.34 1wfd h VAL 36 Ca -0.06 -0.03 0.01 0.00 -1.23 0.00 0.00 66.70 65.40 1wfd h VAL 36 Cb 0.44 0.52 -0.04 0.00 -2.13 0.00 0.00 31.29 30.08 1wfd h VAL 36 CO 0.10 0.01 -0.41 0.00 -1.23 0.00 0.00 177.57 176.04 1wfd h TYR 38 N -0.73 1.02 -0.24 0.00 0.05 0.27 0.12 116.97 117.47 1wfd h TYR 38 Ca -0.00 0.03 -0.19 0.00 0.05 0.00 0.00 58.73 58.62 1wfd h TYR 38 Cb 0.70 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1wfd h TYR 38 CO -0.30 0.21 -0.59 1.96 -1.05 0.00 0.00 178.16 178.39 1wfd h GLN 39 N 0.72 0.82 -0.64 4.88 1.08 0.11 -1.27 115.11 120.81 1wfd h GLN 39 Ca 0.58 -0.56 0.08 0.00 -1.45 0.00 0.00 58.65 57.30 1wfd h GLN 39 Cb 0.97 0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 28.41 1wfd h GLN 39 CO -0.37 1.19 0.30 0.93 -0.95 0.00 0.00 178.83 179.92 1wfd h GLU 40 N 0.57 0.51 -0.18 1.46 5.08 0.41 0.25 114.58 122.69 1wfd h GLU 40 Ca -0.01 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1wfd h GLU 40 Cb 1.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1wfd h GLU 40 CO 0.13 0.34 -0.34 0.78 -1.00 0.00 0.00 179.01 178.91 1wfd h GLY 41 N 0.53 0.60 0.51 -3.84 0.00 -1.13 -2.37 103.07 97.37 1wfd h GLY 41 Ca 0.31 -0.70 0.01 0.00 0.00 0.00 0.00 47.33 46.95 1wfd h GLY 41 CO -0.25 0.63 -0.33 -2.22 0.00 0.00 0.00 176.54 174.37 1wfd h ILE 42 N 0.20 0.31 -0.89 2.60 2.04 -0.60 1.27 117.51 122.43 1wfd h ILE 42 Ca 0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 1wfd h ILE 42 Cb 0.94 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 1wfd h ILE 42 CO 0.08 0.00 0.57 0.44 0.00 0.00 0.00 178.15 179.24 1wfd h ASP 43 N -0.61 0.64 -0.17 1.72 5.19 -0.58 0.96 116.42 123.58 1wfd h ASP 43 Ca 0.01 0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 56.37 1wfd h ASP 43 Cb 0.60 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.03 1wfd h ASP 43 CO -0.14 0.32 -0.27 0.24 -3.12 0.00 0.00 179.24 176.26 1wfd h MET 44 N 0.67 0.48 -0.11 3.56 2.86 -0.56 -3.12 114.93 118.71 1wfd h MET 44 Ca 0.45 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1wfd h MET 44 Cb 0.75 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 1wfd h MET 44 CO -0.21 0.89 0.02 -0.07 1.06 0.00 0.00 176.91 178.60 1wfd h LEU 45 N 0.11 0.18 -0.97 1.22 3.38 0.31 -2.54 115.31 117.00 1wfd h LEU 45 Ca 0.01 -0.26 0.11 0.00 0.09 0.00 0.00 57.88 57.84 1wfd h LEU 45 Cb 0.85 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.42 1wfd h LEU 45 CO 0.06 0.39 -0.49 0.18 0.09 0.00 0.00 178.44 178.68 1wfd n LEU 46 N -4.84 -0.86 -0.27 1.67 4.77 0.32 0.20 117.00 117.99 1wfd n LEU 46 Ca -0.06 1.71 0.04 0.00 -0.03 0.00 0.00 56.01 57.67 1wfd n LEU 46 Cb 0.17 -0.29 0.26 0.00 -2.33 0.00 0.00 43.42 41.22 1wfd n LEU 46 CO 0.35 -1.46 1.24 1.56 -1.33 0.00 0.00 177.39 177.76 1wfd h GLN 47 N 0.00 0.96 0.13 3.23 4.20 -1.47 0.33 115.11 122.49 1wfd h GLN 47 Ca 0.23 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1wfd h GLN 47 Cb 0.48 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1wfd h GLN 47 CO -0.93 0.64 -0.06 0.28 -0.67 0.00 0.00 178.83 178.08 1wfd h VAL 48 N 0.99 0.99 0.04 -0.54 2.07 0.28 -2.77 116.25 117.31 1wfd h VAL 48 Ca 0.36 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1wfd h VAL 48 Cb 0.17 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1wfd h VAL 48 CO -0.13 0.13 -0.16 0.25 0.02 0.00 0.00 177.57 177.68 1wfd h LEU 49 N -0.44 -0.46 -1.66 2.57 7.12 0.25 0.97 115.31 123.66 1wfd h LEU 49 Ca -0.02 0.06 0.30 0.00 0.13 0.00 0.00 57.88 58.35 1wfd h LEU 49 Cb 0.35 0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 40.63 1wfd h LEU 49 CO 0.03 -0.23 0.96 0.11 -0.13 0.00 0.00 178.44 179.18 1wfd h LYS 50 N -0.29 0.00 -2.18 1.25 1.79 -0.32 0.03 116.57 116.85 1wfd h LYS 50 Ca 0.04 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.94 1wfd h LYS 50 Cb 0.34 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.57 1wfd h LYS 50 CO -0.13 0.00 -0.78 0.41 -1.08 0.00 0.00 179.45 177.87 1wfd n GLY 51 N -1.70 4.71 0.27 3.86 0.00 0.31 -4.78 105.19 107.86 1wfd n GLY 51 Ca 0.23 -2.44 -0.05 0.00 0.00 0.00 0.00 46.02 43.75 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 0.34 0.34 0.00 2.61 -1.04 -0.01 -4.87 114.28 111.66 1wfd n THR 52 Ca 0.28 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1wfd n THR 52 Cb 0.46 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 1wfd n THR 52 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1wfd n LYS 53 N -2.86 0.00 -1.51 -2.82 5.02 -1.26 -4.83 118.16 109.90 1wfd n LYS 53 Ca -0.11 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.82 1wfd n LYS 53 Cb 0.60 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.46 1wfd n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wfd n GLU 54 N 0.00 0.11 -0.33 1.97 -0.58 -1.26 -4.69 120.64 115.87 1wfd n GLU 54 Ca 0.00 -0.03 0.28 0.00 -0.42 0.00 0.00 57.16 56.99 1wfd n GLU 54 Cb 0.00 -1.64 0.54 0.00 -0.57 0.00 0.00 31.44 29.77 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 12.52 0.41 0.28 1.62 4.64 -2.00 0.31 113.55 131.34 1wfd h SER 55 Ca -0.05 0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1wfd h SER 55 Cb 1.26 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1wfd h SER 55 CO 1.41 -0.29 -0.14 0.28 -0.87 0.00 0.00 176.83 177.22 1wfd h SER 56 N 0.16 -0.32 -0.97 4.97 0.02 -1.99 -2.78 113.55 112.63 1wfd h SER 56 Ca 0.80 0.01 0.18 0.00 -0.84 0.00 0.00 61.79 61.93 1wfd h SER 56 Cb 1.98 0.08 -0.17 0.00 0.14 0.00 0.00 62.40 64.43 1wfd h SER 56 CO -0.69 -0.08 -0.29 0.29 -1.14 0.00 0.00 176.83 174.92 1wfd n LYS 57 N -3.87 -0.14 -0.21 3.45 5.02 -0.21 0.17 118.16 122.38 1wfd n LYS 57 Ca -0.05 1.51 0.02 0.00 -2.02 0.00 0.00 58.31 57.77 1wfd n LYS 57 Cb 0.15 -2.25 0.12 0.00 -0.02 0.00 0.00 35.03 33.04 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 0.21 -0.82 1.97 3.08 -0.53 1.55 114.38 119.83 1wfd h ARG 58 Ca 0.42 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.57 1wfd h ARG 58 Cb 0.66 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.59 1wfd h ARG 58 CO -0.99 0.14 0.45 0.00 -1.07 0.00 0.00 179.97 178.50 1wfd h VAL 60 N 0.73 0.92 0.16 0.00 2.07 0.81 -2.18 116.25 118.77 1wfd h VAL 60 Ca 0.41 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1wfd h VAL 60 Cb 0.45 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1wfd h VAL 60 CO -0.28 0.22 -0.38 -0.07 0.02 0.00 0.00 177.57 177.08 1wfd h LEU 61 N -0.80 -1.12 -1.98 2.57 3.38 0.26 0.35 115.31 117.97 1wfd h LEU 61 Ca -0.02 0.11 0.32 0.00 0.09 0.00 0.00 57.88 58.38 1wfd h LEU 61 Cb 0.53 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 1wfd h LEU 61 CO 0.04 -0.43 0.81 0.03 0.09 0.00 0.00 178.44 178.98 1wfd h ARG 62 N -0.60 0.00 0.00 1.13 3.08 0.16 1.59 114.38 119.74 1wfd h ARG 62 Ca -0.02 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 1wfd h ARG 62 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1wfd h ARG 62 CO -0.17 0.00 -0.82 1.15 -1.07 0.00 0.00 179.97 179.06 1wfd h THR 63 N 0.00 1.57 0.03 2.04 2.02 -0.13 -2.66 112.91 115.78 1wfd h THR 63 Ca 0.53 -2.77 -0.00 0.00 0.77 0.00 0.00 66.41 64.94 1wfd h THR 63 Cb 2.15 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 71.06 1wfd h THR 63 CO -0.01 0.79 -0.02 0.11 0.37 0.00 0.00 175.52 176.77 1wfd h LYS 64 N 0.02 -0.05 -0.11 6.66 1.57 0.58 -1.78 116.57 123.46 1wfd h LYS 64 Ca -0.01 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1wfd h LYS 64 Cb 1.45 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.74 1wfd h LYS 64 CO 0.11 0.33 -0.21 0.82 -0.57 0.00 0.00 179.45 179.93 1wfd h ILE 65 N -0.99 0.00 -0.53 1.86 2.04 -0.50 0.64 117.51 120.03 1wfd h ILE 65 Ca -0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.95 1wfd h ILE 65 Cb 0.39 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.39 1wfd h ILE 65 CO 0.01 0.00 0.08 0.77 0.00 0.00 0.00 178.15 179.01 1wfd h SER 66 N -0.18 -0.05 -0.37 1.72 4.64 -1.64 0.42 113.55 118.09 1wfd h SER 66 Ca 0.02 0.10 0.11 0.00 -0.47 0.00 0.00 61.79 61.55 1wfd h SER 66 Cb 0.24 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1wfd h SER 66 CO -0.20 -0.01 0.33 1.23 -0.87 0.00 0.00 176.83 177.31 1wfd h GLY 67 N 0.21 0.00 0.53 -0.77 0.00 -0.30 0.57 103.07 103.31 1wfd h GLY 67 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1wfd h GLY 67 CO -0.38 0.00 -0.84 -1.72 0.00 0.00 0.00 176.54 173.61 1wfd n TYR 68 N -4.01 0.07 -0.08 5.60 4.01 0.21 -4.16 117.16 118.81 1wfd n TYR 68 Ca 0.06 0.02 -0.12 0.00 -0.16 0.00 0.00 57.90 57.70 1wfd n TYR 68 Cb 0.50 -0.22 -0.08 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.00 -0.82 -0.72 2.86 0.33 -2.95 114.93 113.63 1wfd h MET 69 Ca 0.00 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.84 1wfd h MET 69 Cb 0.57 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.09 1wfd h MET 69 CO 0.00 0.62 0.01 0.22 1.06 0.00 0.00 176.91 178.82 1wfd h ASP 70 N -1.00 -0.39 -0.09 1.22 3.58 -1.20 1.06 116.42 119.61 1wfd h ASP 70 Ca -0.12 0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1wfd h ASP 70 Cb 0.83 0.38 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 1wfd h ASP 70 CO -0.07 -0.22 0.02 -0.09 -2.88 0.00 0.00 179.24 176.00 1wfd h ARG 71 N 0.09 0.14 -0.60 0.28 9.65 -1.72 -0.55 114.38 121.67 1wfd h ARG 71 Ca 0.46 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 59.38 1wfd h ARG 71 Cb 0.84 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.34 1wfd h ARG 71 CO -0.73 0.31 0.28 0.00 2.80 0.00 0.00 179.97 182.63 1wfd h ALA 72 N 0.82 0.79 0.15 2.80 0.00 -0.33 -1.04 119.26 122.45 1wfd h ALA 72 Ca 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wfd h ALA 72 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wfd h ALA 72 CO -0.00 -0.09 -0.08 0.93 0.00 0.00 0.00 179.25 180.01 1wfd h GLU 73 N 0.52 -0.20 -1.94 0.00 5.08 0.12 0.74 114.58 118.89 1wfd h GLU 73 Ca 0.28 0.01 0.57 0.00 -1.00 0.00 0.00 59.36 59.22 1wfd h GLU 73 Cb 0.26 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 1wfd h GLU 73 CO -0.23 -0.13 1.40 -0.97 -1.00 0.00 0.00 179.01 178.07 1wfd h ASN 74 N -0.21 0.01 0.09 1.42 -0.73 -0.98 0.93 115.58 116.11 1wfd h ASN 74 Ca -0.02 0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.15 1wfd h ASN 74 Cb 0.16 0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1wfd h ASN 74 CO 0.03 -0.01 -0.04 0.40 -0.37 0.00 0.00 177.43 177.44 1wfd h ILE 75 N 0.00 0.00 -0.81 2.57 2.04 -0.49 -2.86 117.51 117.96 1wfd h ILE 75 Ca 0.93 -0.79 0.18 0.00 1.00 0.00 0.00 64.86 66.19 1wfd h ILE 75 Cb 3.72 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 39.68 1wfd h ILE 75 CO -0.03 0.00 0.27 0.11 0.00 0.00 0.00 178.15 178.50 1wfd h LYS 76 N -0.91 0.32 0.00 2.37 1.57 0.54 1.95 116.57 122.41 1wfd h LYS 76 Ca -0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1wfd h LYS 76 Cb 0.09 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1wfd h LYS 76 CO 0.02 0.21 -0.01 0.87 -0.57 0.00 0.00 179.45 179.97 1wfd h LYS 77 N 0.33 0.00 0.01 3.15 6.56 0.48 0.82 116.57 127.91 1wfd h LYS 77 Ca 0.48 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.77 1wfd h LYS 77 Cb 0.85 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.47 1wfd h LYS 77 CO -0.52 0.01 -1.73 0.98 -2.06 0.00 0.00 179.45 176.13 1wfd n TYR 78 N -4.16 1.02 0.17 -1.35 9.36 0.55 -2.67 117.16 120.08 1wfd n TYR 78 Ca -0.03 0.36 0.05 0.00 3.32 0.00 0.00 57.90 61.60 1wfd n TYR 78 Cb 0.09 -1.19 0.13 0.00 -0.63 0.00 0.00 39.34 37.75 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 0.01 0.00 0.00 2.98 3.38 0.31 0.24 115.31 122.23 1wfd h LEU 79 Ca -0.29 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.51 1wfd h LEU 79 Cb 2.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.74 1wfd h LEU 79 CO 0.08 0.39 -1.14 0.44 0.09 0.00 0.00 178.44 178.29 1wfd h ASP 80 N 0.00 0.00 0.35 -0.43 5.19 0.49 -3.14 116.42 118.88 1wfd h ASP 80 Ca -0.00 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.08 1wfd h ASP 80 Cb 1.20 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.70 1wfd h ASP 80 CO 0.05 0.66 -1.71 0.06 -3.12 0.00 0.00 179.24 175.18 1wfd h GLN 81 N 0.00 0.22 -0.62 3.56 3.07 -1.41 -3.30 115.11 116.63 1wfd h GLN 81 Ca -0.11 -0.38 -0.02 0.00 0.09 0.00 0.00 58.65 58.22 1wfd h GLN 81 Cb 1.60 0.14 -0.03 0.00 0.08 0.00 0.00 27.48 29.27 1wfd h GLN 81 CO 0.07 1.05 0.32 1.05 0.09 0.00 0.00 178.83 181.40 1wfd h GLU 82 N 0.06 0.88 0.00 0.06 4.11 -0.63 -0.69 114.58 118.37 1wfd h GLU 82 Ca -0.31 -0.12 -0.01 0.00 0.07 0.00 0.00 59.36 59.00 1wfd h GLU 82 Cb 2.03 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 1wfd h GLU 82 CO 0.13 0.69 -0.03 0.87 0.07 0.00 0.00 179.01 180.74 1wfd h LYS 83 N 0.85 0.00 -0.62 1.06 1.57 -1.68 0.13 116.57 117.88 1wfd h LYS 83 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1wfd h LYS 83 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1wfd h LYS 83 CO -0.03 0.03 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 1wfd n GLU 84 N -3.35 2.29 0.06 3.15 -0.58 -0.27 -4.24 120.64 117.69 1wfd n GLU 84 Ca -0.02 -1.26 0.21 0.00 -0.42 0.00 0.00 57.16 55.67 1wfd n GLU 84 Cb 0.15 -1.60 0.62 0.00 -0.57 0.00 0.00 31.44 30.04 1wfd n GLU 84 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1wfd h ASP 85 N 1.75 0.00 0.00 1.62 3.58 -0.68 -3.43 116.42 119.26 1wfd h ASP 85 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1wfd h ASP 85 Cb 0.85 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.90 1wfd h ASP 85 CO 0.13 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.10 1wfd n GLY 86 N -1.51 1.57 0.16 -0.78 0.00 -1.26 -5.03 105.19 98.33 1wfd n GLY 86 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.41 0.00 -3.90 1.61 5.02 -1.26 -5.08 118.16 113.14 1wfd n LYS 87 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1wfd n LYS 87 Cb 0.01 -0.34 -0.11 0.00 -0.02 0.00 0.00 35.03 34.57 1wfd n LYS 87 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wfd s SER 88 N -3.60 0.07 0.00 4.39 1.04 -1.26 -5.15 113.70 109.19 1wfd s SER 88 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1wfd s SER 88 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1wfd s SER 88 CO 0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1wfd n GLY 89 N 1.92 -1.42 3.77 7.32 0.00 -1.26 -4.82 105.19 110.70 1wfd n GLY 89 Ca -0.20 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.32 -0.03 0.47 1.61 0.04 -1.26 -4.91 135.00 129.59 1wfd s PRO 90 Ca 0.00 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.89 1wfd s PRO 90 Cb 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1wfd s PRO 90 CO 0.00 -2.91 0.00 0.45 0.04 0.00 0.00 177.00 174.58 1wfd n SER 91 N -4.17 -8.48 -3.03 6.66 2.88 -1.26 -4.91 113.62 101.31 1wfd n SER 91 Ca 0.13 0.98 -0.05 0.00 -1.33 0.00 0.00 58.87 58.60 1wfd n SER 91 Cb 0.59 -4.61 -0.01 0.00 -0.75 0.00 0.00 64.21 59.43 1wfd n SER 91 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfd s SER 92 N -7.09 -0.98 0.00 -3.46 0.15 -1.26 -5.17 113.70 95.89 1wfd s SER 92 Ca 0.00 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.15 1wfd s SER 92 Cb 0.00 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.91 1wfd s SER 92 CO 0.00 -0.12 0.29 0.61 1.20 0.00 0.00 173.24 175.21