#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 -3.27 -4.35 1.61 7.64 -1.26 -5.14 113.62 108.85 1wfd n SER 2 Ca 0.00 0.75 -0.34 0.00 1.01 0.00 0.00 58.87 60.30 1wfd n SER 2 Cb 0.00 3.14 0.10 0.00 -1.01 0.00 0.00 64.21 66.45 1wfd n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wfd n SER 3 N -3.27 -2.69 0.00 6.43 3.41 -1.26 -4.96 113.62 111.29 1wfd n SER 3 Ca 0.00 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1wfd n SER 3 Cb 0.00 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 1wfd n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfd n GLY 4 N 1.83 -1.93 1.83 5.00 0.00 -1.26 -5.04 105.19 105.61 1wfd n GLY 4 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.82 -7.68 -1.23 1.61 2.88 -1.26 -4.97 113.62 102.15 1wfd n SER 5 Ca 0.00 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1wfd n SER 5 Cb 0.00 -4.29 0.00 0.00 -0.75 0.00 0.00 64.21 59.17 1wfd n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfd n SER 6 N 1.52 -6.89 0.00 -3.46 7.64 -1.26 -5.08 113.62 106.09 1wfd n SER 6 Ca 0.00 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1wfd n SER 6 Cb 0.00 -3.10 0.00 0.00 -1.01 0.00 0.00 64.21 60.10 1wfd n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfd n GLY 7 N -0.10 4.50 2.61 0.23 0.00 -1.26 -5.00 105.19 106.18 1wfd n GLY 7 Ca 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 1wfd n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfd n GLN 8 N -0.95 2.01 0.51 1.61 0.00 -1.26 -3.81 117.38 115.49 1wfd n GLN 8 Ca 0.00 -3.65 -0.20 0.00 0.00 0.00 0.00 57.00 53.15 1wfd n GLN 8 Cb 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 30.24 28.49 1wfd n GLN 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1wfd h ASP 9 N 2.69 -1.09 -2.14 2.61 5.19 -1.96 -3.44 116.42 118.27 1wfd h ASP 9 Ca 0.01 0.04 -0.46 0.00 -0.62 0.00 0.00 57.03 55.99 1wfd h ASP 9 Cb 1.22 0.28 0.07 0.00 0.18 0.00 0.00 39.33 41.09 1wfd h ASP 9 CO 0.47 -0.76 0.07 -0.55 -3.12 0.00 0.00 179.24 175.34 1wfd s SER 10 N -4.07 4.57 -0.00 6.45 0.15 -1.26 -5.00 113.70 114.53 1wfd s SER 10 Ca -0.19 -0.32 -0.02 0.00 0.70 0.00 0.00 55.95 56.11 1wfd s SER 10 Cb 0.02 -0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.16 1wfd s SER 10 CO 0.58 -1.70 0.60 -0.78 1.20 0.00 0.00 173.24 173.15 1wfd h ASP 11 N -0.37 -0.07 -0.46 5.45 3.58 -2.01 -3.11 116.42 119.43 1wfd h ASP 11 Ca -0.37 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.18 1wfd h ASP 11 Cb 1.27 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.32 1wfd h ASP 11 CO 0.43 -0.03 0.32 0.28 -2.88 0.00 0.00 179.24 177.36 1wfd h SER 12 N -0.13 0.16 -0.36 2.28 0.02 -1.97 -2.52 113.55 111.04 1wfd h SER 12 Ca -0.01 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1wfd h SER 12 Cb 0.06 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.50 1wfd h SER 12 CO 0.01 0.10 -0.53 0.74 -1.14 0.00 0.00 176.83 176.01 1wfd h THR 13 N 0.18 0.00 -1.18 -2.27 2.02 -1.91 0.51 112.91 110.26 1wfd h THR 13 Ca 0.22 0.00 0.44 0.00 0.77 0.00 0.00 66.41 67.84 1wfd h THR 13 Cb 0.61 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.86 1wfd h THR 13 CO -0.03 0.00 0.70 0.00 0.37 0.00 0.00 175.52 176.56 1wfd h ALA 14 N -0.13 2.47 0.25 6.16 0.00 -1.38 1.16 119.26 127.79 1wfd h ALA 14 Ca 0.06 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1wfd h ALA 14 Cb 0.58 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1wfd h ALA 14 CO -0.55 -1.22 -0.12 0.00 0.00 0.00 0.00 179.25 177.36 1wfd h ALA 15 N 1.82 -0.33 -0.98 0.00 0.00 -0.16 0.47 119.26 120.07 1wfd h ALA 15 Ca 0.86 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.82 1wfd h ALA 15 Cb 2.51 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 20.31 1wfd h ALA 15 CO -0.63 -0.50 0.55 0.28 0.00 0.00 0.00 179.25 178.95 1wfd h VAL 16 N -0.70 0.55 0.39 0.00 2.07 0.27 1.55 116.25 120.38 1wfd h VAL 16 Ca -0.03 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1wfd h VAL 16 Cb 0.48 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1wfd h VAL 16 CO 0.06 0.10 -0.19 0.00 0.02 0.00 0.00 177.57 177.56 1wfd h ALA 17 N 1.71 -0.55 -1.04 1.67 0.00 -0.59 0.14 119.26 120.61 1wfd h ALA 17 Ca 0.62 -0.11 0.30 0.00 0.00 0.00 0.00 54.91 55.71 1wfd h ALA 17 Cb 1.14 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1wfd h ALA 17 CO -0.47 -0.51 0.74 -0.24 0.00 0.00 0.00 179.25 178.76 1wfd h VAL 18 N -1.08 0.49 0.09 0.00 3.04 0.85 0.94 116.25 120.58 1wfd h VAL 18 Ca -0.05 -0.02 -0.29 0.00 -1.01 0.00 0.00 66.70 65.33 1wfd h VAL 18 Cb 0.40 0.43 0.03 0.00 -2.01 0.00 0.00 31.29 30.14 1wfd h VAL 18 CO 0.09 0.01 -1.20 -0.07 -1.01 0.00 0.00 177.57 175.39 1wfd h LEU 19 N 0.05 0.89 -0.44 3.16 3.38 0.22 -1.65 115.31 120.93 1wfd h LEU 19 Ca 0.50 -0.79 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1wfd h LEU 19 Cb 1.91 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 1wfd h LEU 19 CO -0.04 1.59 0.18 0.50 0.09 0.00 0.00 178.44 180.76 1wfd h LYS 20 N 0.31 0.65 0.16 1.13 1.63 0.36 -2.02 116.57 118.79 1wfd h LYS 20 Ca -0.17 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 1wfd h LYS 20 Cb 1.87 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.39 1wfd h LYS 20 CO 0.23 0.59 -0.08 0.00 -3.45 0.00 0.00 179.45 176.74 1wfd h ARG 21 N 0.56 -0.21 -0.63 1.90 2.47 -0.27 -2.86 114.38 115.35 1wfd h ARG 21 Ca 0.15 0.01 0.10 0.00 -1.26 0.00 0.00 59.98 58.98 1wfd h ARG 21 Cb 0.18 0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 28.43 1wfd h ARG 21 CO -0.01 0.02 -0.40 0.00 0.56 0.00 0.00 179.97 180.13 1wfd h ALA 22 N 0.38 -0.20 -0.72 0.04 0.00 -1.18 0.39 119.26 117.97 1wfd h ALA 22 Ca -0.02 0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1wfd h ALA 22 Cb 0.33 0.92 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 1wfd h ALA 22 CO 0.04 -0.77 -0.20 0.28 0.00 0.00 0.00 179.25 178.60 1wfd h VAL 23 N -0.18 0.25 0.36 0.00 2.07 -1.29 0.46 116.25 117.92 1wfd h VAL 23 Ca 0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 1wfd h VAL 23 Cb 0.56 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1wfd h VAL 23 CO -0.72 0.00 -0.35 -0.33 0.02 0.00 0.00 177.57 176.19 1wfd h GLU 24 N -0.02 -0.68 -0.88 1.57 4.39 -0.09 0.28 114.58 119.15 1wfd h GLU 24 Ca 0.34 0.05 0.23 0.00 0.34 0.00 0.00 59.36 60.32 1wfd h GLU 24 Cb 0.54 0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 29.20 1wfd h GLU 24 CO -0.75 -0.45 0.24 -0.07 -1.16 0.00 0.00 179.01 176.82 1wfd h LEU 25 N -0.70 0.02 -1.17 1.33 3.38 0.16 1.63 115.31 119.95 1wfd h LEU 25 Ca -0.05 0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1wfd h LEU 25 Cb 0.61 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 1wfd h LEU 25 CO -0.04 -0.15 0.58 -0.78 0.09 0.00 0.00 178.44 178.14 1wfd h ASP 26 N 0.22 0.89 1.09 -0.43 3.58 0.54 0.53 116.42 122.83 1wfd h ASP 26 Ca 0.55 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.91 1wfd h ASP 26 Cb 1.11 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 1wfd h ASP 26 CO -0.65 0.57 -0.44 0.00 -2.88 0.00 0.00 179.24 175.84 1wfd h ALA 27 N 1.52 0.85 -0.01 -0.78 0.00 0.42 -2.59 119.26 118.66 1wfd h ALA 27 Ca 0.38 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wfd h ALA 27 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wfd h ALA 27 CO -0.14 0.55 0.00 0.39 0.00 0.00 0.00 179.25 180.05 1wfd n GLU 28 N -3.40 1.30 -0.97 0.00 -0.58 0.17 -4.86 120.64 112.29 1wfd n GLU 28 Ca 0.01 -0.43 0.00 0.00 -0.42 0.00 0.00 57.16 56.31 1wfd n GLU 28 Cb 0.61 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 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 -0.47 -1.55 -3.63 1.62 7.64 -0.05 -4.92 113.62 112.27 1wfd n SER 29 Ca 0.21 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.68 1wfd n SER 29 Cb 0.21 -0.52 -0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 -2.27 4.04 -0.34 1.43 1.74 0.15 -4.70 116.66 116.71 1wfd n ARG 30 Ca 0.00 -3.33 -0.03 0.00 -0.77 0.00 0.00 57.85 53.72 1wfd n ARG 30 Cb 0.02 -2.80 0.09 0.00 -1.02 0.00 0.00 32.46 28.76 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 5.17 1.21 0.00 -1.55 0.05 -1.87 0.46 116.97 120.44 1wfd h TYR 31 Ca 0.59 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.36 1wfd h TYR 31 Cb 0.45 -0.40 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1wfd h TYR 31 CO 1.48 0.81 0.25 0.37 -1.05 0.00 0.00 178.16 180.02 1wfd h GLN 32 N 1.26 0.00 0.00 4.88 -0.00 -1.95 0.96 115.11 120.27 1wfd h GLN 32 Ca 0.33 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.74 1wfd h GLN 32 Cb -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.39 1wfd h GLN 32 CO -0.06 0.00 -1.91 1.04 0.00 0.00 0.00 178.83 177.90 1wfd n GLN 33 N -2.72 0.61 0.28 1.69 6.02 -0.29 -4.32 117.38 118.65 1wfd n GLN 33 Ca -0.02 0.08 0.18 0.00 -0.01 0.00 0.00 57.00 57.23 1wfd n GLN 33 Cb 0.29 -1.32 0.76 0.00 1.02 0.00 0.00 30.24 30.99 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 0.08 1.00 0.22 -1.58 0.00 0.11 -2.29 119.26 116.80 1wfd h ALA 34 Ca -0.36 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1wfd h ALA 34 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1wfd h ALA 34 CO -0.05 0.00 -0.10 1.25 0.00 0.00 0.00 179.25 180.35 1wfd h LEU 35 N 0.00 -0.25 -0.57 0.00 7.12 0.70 -0.83 115.31 121.49 1wfd h LEU 35 Ca 0.00 0.01 0.11 0.00 0.13 0.00 0.00 57.88 58.13 1wfd h LEU 35 Cb 0.43 0.06 -0.11 0.00 -0.53 0.00 0.00 40.66 40.51 1wfd h LEU 35 CO 0.00 -0.06 -0.11 -0.37 -0.13 0.00 0.00 178.44 177.77 1wfd h VAL 36 N -0.52 0.45 0.07 1.05 -1.51 -1.74 0.24 116.25 114.30 1wfd h VAL 36 Ca -0.03 -0.01 0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1wfd h VAL 36 Cb 0.22 0.43 -0.05 0.00 -2.13 0.00 0.00 31.29 29.76 1wfd h VAL 36 CO 0.05 0.00 -0.49 0.00 -1.23 0.00 0.00 177.57 175.90 1wfd h TYR 38 N -0.69 0.60 -0.08 0.00 0.05 0.40 0.22 116.97 117.46 1wfd h TYR 38 Ca 0.01 0.02 -0.24 0.00 0.05 0.00 0.00 58.73 58.57 1wfd h TYR 38 Cb 0.72 -0.18 0.01 0.00 1.01 0.00 0.00 36.73 38.30 1wfd h TYR 38 CO -0.45 0.12 -0.90 1.96 -1.05 0.00 0.00 178.16 177.84 1wfd h GLN 39 N 0.41 0.75 -0.91 4.88 1.08 0.20 -1.94 115.11 119.59 1wfd h GLN 39 Ca 0.52 -0.69 0.07 0.00 -1.45 0.00 0.00 58.65 57.10 1wfd h GLN 39 Cb 1.30 0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 28.84 1wfd h GLN 39 CO -0.22 1.28 0.57 0.93 -0.95 0.00 0.00 178.83 180.44 1wfd h GLU 40 N 0.47 1.00 -0.11 1.46 4.39 0.48 0.12 114.58 122.38 1wfd h GLU 40 Ca -0.09 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.45 1wfd h GLU 40 Cb 1.54 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1wfd h GLU 40 CO 0.18 0.66 -0.34 0.78 -1.16 0.00 0.00 179.01 179.13 1wfd h GLY 41 N 1.03 0.48 0.51 -3.84 0.00 -1.18 -2.47 103.07 97.59 1wfd h GLY 41 Ca 0.40 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1wfd h GLY 41 CO -0.18 0.55 -0.29 -2.22 0.00 0.00 0.00 176.54 174.40 1wfd h ILE 42 N 0.01 0.37 -0.95 2.60 2.04 -0.81 1.25 117.51 122.02 1wfd h ILE 42 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 1wfd h ILE 42 Cb 0.96 0.37 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 1wfd h ILE 42 CO 0.07 0.00 0.60 -0.78 0.00 0.00 0.00 178.15 178.05 1wfd h ASP 43 N -0.52 0.75 -0.08 1.72 1.82 -0.84 0.84 116.42 120.11 1wfd h ASP 43 Ca 0.03 0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.68 1wfd h ASP 43 Cb 0.54 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.46 1wfd h ASP 43 CO -0.16 0.36 -0.09 0.24 -1.61 0.00 0.00 179.24 177.98 1wfd h MET 44 N 0.78 0.19 -0.03 0.28 2.86 -0.63 -3.09 114.93 115.29 1wfd h MET 44 Ca 0.49 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1wfd h MET 44 Cb 0.72 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 1wfd h MET 44 CO -0.26 0.65 0.02 -0.07 1.06 0.00 0.00 176.91 178.31 1wfd h LEU 45 N -0.25 0.04 -0.99 1.22 3.38 0.27 -1.96 115.31 117.01 1wfd h LEU 45 Ca 0.01 -0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.06 1wfd h LEU 45 Cb 0.62 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.22 1wfd h LEU 45 CO 0.02 0.07 -0.47 0.18 0.09 0.00 0.00 178.44 178.34 1wfd n LEU 46 N -5.04 -0.81 -0.25 1.67 4.77 0.28 0.20 117.00 117.82 1wfd n LEU 46 Ca -0.07 1.75 0.02 0.00 -0.03 0.00 0.00 56.01 57.68 1wfd n LEU 46 Cb 0.05 -0.33 0.25 0.00 -2.33 0.00 0.00 43.42 41.06 1wfd n LEU 46 CO 0.33 -1.51 1.24 1.56 -1.33 0.00 0.00 177.39 177.69 1wfd h GLN 47 N 0.00 0.98 -0.18 3.23 4.20 -1.41 0.05 115.11 121.98 1wfd h GLN 47 Ca 0.27 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1wfd h GLN 47 Cb 0.51 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1wfd h GLN 47 CO -0.96 0.65 0.06 0.28 -0.67 0.00 0.00 178.83 178.19 1wfd h VAL 48 N 1.01 1.17 -0.76 -0.54 2.07 0.30 -2.62 116.25 116.89 1wfd h VAL 48 Ca 0.32 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1wfd h VAL 48 Cb 0.01 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1wfd h VAL 48 CO -0.09 0.16 0.47 0.25 0.02 0.00 0.00 177.57 178.39 1wfd h LEU 49 N 0.12 0.77 -2.02 2.57 6.46 0.20 0.12 115.31 123.53 1wfd h LEU 49 Ca 0.06 0.01 0.15 0.00 -0.12 0.00 0.00 57.88 57.97 1wfd h LEU 49 Cb 0.20 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 1wfd h LEU 49 CO -0.00 0.52 0.40 0.11 -0.62 0.00 0.00 178.44 178.85 1wfd h LYS 50 N 0.91 0.00 -2.28 1.25 1.79 -0.66 -1.99 116.57 115.59 1wfd h LYS 50 Ca 0.32 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.18 1wfd h LYS 50 Cb 0.07 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.30 1wfd h LYS 50 CO -0.13 0.00 -0.56 0.41 -1.08 0.00 0.00 179.45 178.09 1wfd n GLY 51 N -1.60 5.65 0.85 3.86 0.00 0.41 -4.77 105.19 109.59 1wfd n GLY 51 Ca 0.09 -2.78 -0.01 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.24 0.91 0.00 2.61 -1.04 -0.75 -4.92 114.28 110.85 1wfd n THR 52 Ca 0.32 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.61 1wfd n THR 52 Cb 0.39 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 1wfd n THR 52 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1wfd n LYS 53 N -3.33 0.00 -1.51 -2.82 4.81 -1.26 -4.88 118.16 109.16 1wfd n LYS 53 Ca -0.02 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.02 1wfd n LYS 53 Cb 0.07 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.02 1wfd n LYS 53 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1wfd n GLU 54 N 0.00 0.44 -0.34 1.64 -0.58 -1.26 -4.74 120.64 115.80 1wfd n GLU 54 Ca 0.00 0.01 0.11 0.00 -0.42 0.00 0.00 57.16 56.86 1wfd n GLU 54 Cb 0.00 -2.29 0.22 0.00 -0.57 0.00 0.00 31.44 28.80 1wfd n GLU 54 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1wfd n SER 55 N 12.54 -0.22 0.52 1.62 3.41 -1.26 0.28 113.62 130.51 1wfd n SER 55 Ca 0.54 1.67 -0.21 0.00 -0.26 0.00 0.00 58.87 60.61 1wfd n SER 55 Cb 0.24 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.52 1wfd n SER 55 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1wfd h SER 56 N 0.00 -1.13 -0.45 4.04 0.02 -2.00 -1.35 113.55 112.68 1wfd h SER 56 Ca 0.54 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.60 1wfd h SER 56 Cb 1.00 0.29 -0.09 0.00 0.14 0.00 0.00 62.40 63.74 1wfd h SER 56 CO -0.96 -0.80 -0.43 0.11 -1.14 0.00 0.00 176.83 173.61 1wfd h LYS 57 N -1.33 -0.29 -0.79 3.45 1.57 -0.89 0.22 116.57 118.50 1wfd h LYS 57 Ca -0.13 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.85 1wfd h LYS 57 Cb 1.02 0.07 -0.14 0.00 0.08 0.00 0.00 32.23 33.26 1wfd h LYS 57 CO 0.22 -0.19 0.02 0.00 -0.57 0.00 0.00 179.45 178.93 1wfd h ARG 58 N -0.30 0.10 0.12 3.15 3.08 -0.08 0.87 114.38 121.32 1wfd h ARG 58 Ca 0.15 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.21 1wfd h ARG 58 Cb 0.58 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 1wfd h ARG 58 CO -0.60 0.07 -0.29 0.00 -1.07 0.00 0.00 179.97 178.07 1wfd h VAL 60 N -0.51 0.49 0.15 0.00 2.07 0.98 0.33 116.25 119.77 1wfd h VAL 60 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1wfd h VAL 60 Cb 0.54 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1wfd h VAL 60 CO -0.17 0.00 -0.31 -0.07 0.02 0.00 0.00 177.57 177.04 1wfd h LEU 61 N -0.40 -0.91 -1.96 2.57 3.38 0.11 0.52 115.31 118.60 1wfd h LEU 61 Ca 0.04 0.09 0.33 0.00 0.09 0.00 0.00 57.88 58.42 1wfd h LEU 61 Cb 0.44 0.33 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1wfd h LEU 61 CO -0.15 -0.36 0.81 0.03 0.09 0.00 0.00 178.44 178.87 1wfd h ARG 62 N -0.50 0.02 0.00 1.13 3.08 0.15 1.66 114.38 119.92 1wfd h ARG 62 Ca -0.01 -0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 1wfd h ARG 62 Cb 0.48 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1wfd h ARG 62 CO -0.13 0.01 -0.80 1.15 -1.07 0.00 0.00 179.97 179.14 1wfd h THR 63 N 0.02 1.54 0.00 2.04 2.02 0.19 -2.69 112.91 116.03 1wfd h THR 63 Ca 0.54 -2.76 -0.01 0.00 0.77 0.00 0.00 66.41 64.95 1wfd h THR 63 Cb 2.14 2.50 -0.00 0.00 -1.74 0.00 0.00 68.15 71.05 1wfd h THR 63 CO -0.02 0.78 -0.10 0.11 0.37 0.00 0.00 175.52 176.66 1wfd h LYS 64 N 0.00 0.00 -0.17 6.66 1.57 0.70 -2.57 116.57 122.76 1wfd h LYS 64 Ca -0.01 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1wfd h LYS 64 Cb 1.44 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.70 1wfd h LYS 64 CO 0.10 0.56 -0.32 0.82 -0.57 0.00 0.00 179.45 180.04 1wfd h ILE 65 N -1.00 0.00 -0.41 1.86 2.04 -0.02 0.45 117.51 120.43 1wfd h ILE 65 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 1wfd h ILE 65 Cb 0.60 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.60 1wfd h ILE 65 CO -0.01 0.00 -0.15 0.28 0.00 0.00 0.00 178.15 178.27 1wfd h SER 66 N -0.28 -0.52 -0.61 1.72 0.02 -1.65 1.02 113.55 113.24 1wfd h SER 66 Ca 0.03 0.14 0.18 0.00 -0.84 0.00 0.00 61.79 61.30 1wfd h SER 66 Cb 0.37 0.31 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1wfd h SER 66 CO -0.31 -0.18 0.49 1.23 -1.14 0.00 0.00 176.83 176.91 1wfd h GLY 67 N -0.06 0.00 0.36 -3.77 0.00 -0.81 0.64 103.07 99.42 1wfd h GLY 67 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1wfd h GLY 67 CO -0.45 0.00 -1.14 -1.72 0.00 0.00 0.00 176.54 173.23 1wfd n TYR 68 N -4.14 0.14 0.05 5.60 4.01 0.15 -3.92 117.16 119.05 1wfd n TYR 68 Ca 0.12 0.04 -0.21 0.00 -0.16 0.00 0.00 57.90 57.69 1wfd n TYR 68 Cb 0.73 -0.31 -0.15 0.00 -0.31 0.00 0.00 39.34 39.30 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 0.31 -0.58 -0.72 2.86 0.64 -2.71 114.93 114.74 1wfd h MET 69 Ca 0.00 -0.54 -0.01 0.00 -2.06 0.00 0.00 59.70 57.09 1wfd h MET 69 Cb 0.69 0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 1wfd h MET 69 CO 0.00 1.26 0.32 0.22 1.06 0.00 0.00 176.91 179.77 1wfd h ASP 70 N -0.28 0.71 -0.25 1.22 3.58 -0.99 0.49 116.42 120.91 1wfd h ASP 70 Ca -0.21 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.14 1wfd h ASP 70 Cb 1.76 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.62 1wfd h ASP 70 CO 0.14 0.59 0.12 -0.09 -2.88 0.00 0.00 179.24 177.12 1wfd h ARG 71 N 0.78 0.36 0.29 0.28 9.65 -1.68 -0.21 114.38 123.85 1wfd h ARG 71 Ca 0.20 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1wfd h ARG 71 Cb 0.03 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1wfd h ARG 71 CO -0.03 0.37 -0.14 0.00 2.80 0.00 0.00 179.97 182.96 1wfd h ALA 72 N 0.97 -0.40 -0.02 2.80 0.00 -1.13 -2.08 119.26 119.40 1wfd h ALA 72 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wfd h ALA 72 Cb 0.13 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1wfd h ALA 72 CO -0.01 -0.67 -0.25 0.93 0.00 0.00 0.00 179.25 179.24 1wfd h GLU 73 N -0.49 -0.29 -0.99 0.00 5.08 0.08 0.86 114.58 118.82 1wfd h GLU 73 Ca -0.04 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.52 1wfd h GLU 73 Cb 0.37 0.07 -0.17 0.00 0.50 0.00 0.00 28.75 29.51 1wfd h GLU 73 CO 0.07 -0.19 -0.31 -1.71 -1.00 0.00 0.00 179.01 175.86 1wfd n ASN 74 N -3.90 -0.48 0.26 1.42 2.85 -0.10 0.79 115.26 116.09 1wfd n ASN 74 Ca -0.03 1.71 -0.16 0.00 -0.11 0.00 0.00 54.58 55.99 1wfd n ASN 74 Cb 0.18 -0.46 -0.08 0.00 1.24 0.00 0.00 39.78 40.66 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 0.46 -0.54 -1.44 2.04 -0.54 0.08 117.51 117.56 1wfd h ILE 75 Ca 0.42 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.38 1wfd h ILE 75 Cb 0.66 0.46 -0.11 0.00 -0.74 0.00 0.00 36.82 37.09 1wfd h ILE 75 CO -1.00 0.00 -0.25 0.11 0.00 0.00 0.00 178.15 177.01 1wfd h LYS 76 N -0.67 -0.12 -0.53 2.37 1.57 0.58 2.33 116.57 122.10 1wfd h LYS 76 Ca -0.05 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.84 1wfd h LYS 76 Cb 0.54 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1wfd h LYS 76 CO 0.06 -0.08 0.36 0.87 -0.57 0.00 0.00 179.45 180.09 1wfd h LYS 77 N -0.12 0.30 0.00 3.15 6.56 0.72 0.59 116.57 127.76 1wfd h LYS 77 Ca 0.24 -0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.74 1wfd h LYS 77 Cb 0.51 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 1wfd h LYS 77 CO -0.61 0.20 -0.67 -0.92 -2.06 0.00 0.00 179.45 175.38 1wfd h TYR 78 N 0.31 0.00 0.13 -1.35 3.20 0.31 -3.20 116.97 116.37 1wfd h TYR 78 Ca 0.25 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.89 1wfd h TYR 78 Cb 0.57 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.87 1wfd h TYR 78 CO -0.00 0.31 -0.98 -0.07 -1.64 0.00 0.00 178.16 175.78 1wfd h LEU 79 N 0.00 0.63 -0.72 2.82 3.38 0.67 -2.03 115.31 120.07 1wfd h LEU 79 Ca -0.04 -0.89 0.07 0.00 0.09 0.00 0.00 57.88 57.12 1wfd h LEU 79 Cb 1.27 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1wfd h LEU 79 CO 0.03 1.46 0.40 -0.78 0.09 0.00 0.00 178.44 179.65 1wfd h ASP 80 N -0.10 0.58 -0.40 -0.43 1.82 -0.11 1.28 116.42 119.06 1wfd h ASP 80 Ca -0.16 0.04 -0.13 0.00 -0.39 0.00 0.00 57.03 56.39 1wfd h ASP 80 Cb 1.73 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.66 1wfd h ASP 80 CO 0.19 0.35 -0.25 0.06 -1.61 0.00 0.00 179.24 177.98 1wfd h GLN 81 N 0.71 0.88 0.00 0.28 3.07 -1.61 0.88 115.11 119.32 1wfd h GLN 81 Ca 0.33 -0.41 -0.07 0.00 0.09 0.00 0.00 58.65 58.60 1wfd h GLN 81 Cb 0.26 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 1wfd h GLN 81 CO -0.21 1.06 -0.33 0.93 0.09 0.00 0.00 178.83 180.36 1wfd h GLU 82 N 0.70 0.00 0.00 0.06 4.39 -0.49 -0.32 114.58 118.92 1wfd h GLU 82 Ca 0.08 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.69 1wfd h GLU 82 Cb 0.82 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1wfd h GLU 82 CO 0.07 0.33 -0.55 -0.22 -1.16 0.00 0.00 179.01 177.48 1wfd h LYS 83 N 0.00 0.00 0.03 2.33 3.64 0.19 -3.33 116.57 119.43 1wfd h LYS 83 Ca -0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1wfd h LYS 83 Cb 0.76 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 1wfd h LYS 83 CO 0.04 0.88 -0.22 0.93 -2.27 0.00 0.00 179.45 178.81 1wfd h GLU 84 N -1.00 -0.35 -1.04 1.90 5.08 0.80 0.94 114.58 120.91 1wfd h GLU 84 Ca -0.14 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 58.54 1wfd h GLU 84 Cb 1.03 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1wfd h GLU 84 CO -0.09 -0.23 0.99 -0.44 -1.00 0.00 0.00 179.01 178.24 1wfd h ASP 85 N -0.36 0.00 -0.98 1.42 3.32 -1.22 0.11 116.42 118.70 1wfd h ASP 85 Ca 0.05 0.00 0.38 0.00 0.02 0.00 0.00 57.03 57.48 1wfd h ASP 85 Cb 0.43 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.80 1wfd h ASP 85 CO -0.18 0.00 0.43 0.61 -1.72 0.00 0.00 179.24 178.38 1wfd n GLY 86 N -1.70 -0.85 6.82 2.75 0.00 0.33 -4.53 105.19 108.01 1wfd n GLY 86 Ca 0.23 0.83 0.00 0.00 0.00 0.00 0.00 46.02 47.07 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 -5.26 0.00 -1.76 1.61 5.02 0.37 -4.19 118.16 113.95 1wfd n LYS 87 Ca 0.34 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.21 1wfd n LYS 87 Cb 1.16 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 36.14 1wfd n LYS 87 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wfd s SER 88 N -3.99 6.09 0.00 4.39 0.01 -1.26 -4.73 113.70 114.21 1wfd s SER 88 Ca 0.00 2.15 0.00 0.00 1.31 0.00 0.00 55.95 59.41 1wfd s SER 88 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1wfd s SER 88 CO 0.00 -1.42 0.00 0.61 0.41 0.00 0.00 173.24 172.84 1wfd n GLY 89 N 4.98 0.82 3.78 3.44 0.00 -1.26 -5.11 105.19 111.84 1wfd n GLY 89 Ca 0.23 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.41 0.59 0.29 1.61 0.04 -1.26 -4.98 135.00 129.87 1wfd s PRO 90 Ca 0.00 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1wfd s PRO 90 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1wfd s PRO 90 CO 0.00 -2.53 0.00 -1.13 0.04 0.00 0.00 177.00 173.38 1wfd n SER 91 N -3.96 -2.57 0.05 6.66 3.41 -1.26 -4.91 113.62 111.04 1wfd n SER 91 Ca 0.10 0.68 -0.14 0.00 -0.26 0.00 0.00 58.87 59.25 1wfd n SER 91 Cb 0.59 2.55 -0.08 0.00 -0.26 0.00 0.00 64.21 67.02 1wfd n SER 91 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wfd h SER 92 N 0.00 -1.41 0.00 4.04 0.87 -2.03 -3.54 113.55 111.47 1wfd h SER 92 Ca 0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1wfd h SER 92 Cb 0.00 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1wfd h SER 92 CO 0.00 -0.48 0.00 0.61 -0.53 0.00 0.00 176.83 176.43