#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2h s SER 2 N 0.00 6.27 0.08 1.61 0.01 -1.26 -4.92 113.70 115.49 1k2h s SER 2 Ca 0.00 0.56 -0.23 0.00 1.31 0.00 0.00 55.95 57.58 1k2h s SER 2 Cb 0.00 -2.06 -0.15 0.00 0.21 0.00 0.00 66.02 64.01 1k2h s SER 2 CO 0.00 -0.38 1.70 -0.33 0.41 0.00 0.00 173.24 174.64 1k2h h GLU 3 N 0.61 -0.00 -0.32 12.44 5.08 -2.06 -0.43 114.58 129.91 1k2h h GLU 3 Ca -0.49 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.73 1k2h h GLU 3 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1k2h h GLU 3 CO 0.61 0.04 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.25 1k2h h LEU 4 N -0.04 0.85 -0.45 1.33 4.07 -2.00 -2.62 115.31 116.45 1k2h h LEU 4 Ca -0.00 -0.48 -0.01 0.00 0.08 0.00 0.00 57.88 57.47 1k2h h LEU 4 Cb 0.04 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 1k2h h LEU 4 CO 0.00 1.16 0.24 -0.08 -1.08 0.00 0.00 178.44 178.68 1k2h h GLU 5 N 0.57 0.63 -0.98 1.13 4.81 -1.94 -2.49 114.58 116.31 1k2h h GLU 5 Ca 0.05 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1k2h h GLU 5 Cb 0.93 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 1k2h h GLU 5 CO 0.08 0.50 0.63 1.15 -0.73 0.00 0.00 179.01 180.65 1k2h h THR 6 N 0.59 1.26 -0.99 0.32 2.02 -1.06 -2.48 112.91 112.56 1k2h h THR 6 Ca 0.16 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1k2h h THR 6 Cb 0.06 -0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.25 1k2h h THR 6 CO -0.02 0.26 0.65 0.00 0.37 0.00 0.00 175.52 176.77 1k2h h ALA 7 N 1.36 1.25 -0.72 6.16 0.00 -1.06 -2.53 119.26 123.73 1k2h h ALA 7 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1k2h h ALA 7 Cb -0.13 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.23 1k2h h ALA 7 CO -0.07 0.65 0.47 0.52 0.00 0.00 0.00 179.25 180.81 1k2h h MET 8 N 1.34 0.95 -0.81 0.00 2.07 -1.14 -1.87 114.93 115.47 1k2h h MET 8 Ca 0.36 -0.06 -0.04 0.00 -2.07 0.00 0.00 59.70 57.89 1k2h h MET 8 Cb -0.15 -0.21 -0.04 0.00 -1.87 0.00 0.00 31.60 29.33 1k2h h MET 8 CO -0.08 0.64 0.35 1.49 1.07 0.00 0.00 176.91 180.38 1k2h h GLU 9 N 0.97 1.19 -0.68 1.72 4.81 -1.42 -2.73 114.58 118.44 1k2h h GLU 9 Ca 0.26 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1k2h h GLU 9 Cb -0.10 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.06 1k2h h GLU 9 CO -0.05 0.95 0.13 1.15 -0.73 0.00 0.00 179.01 180.45 1k2h h THR 10 N 1.17 1.26 -1.01 0.32 2.02 -1.13 -2.94 112.91 112.60 1k2h h THR 10 Ca 0.27 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.45 1k2h h THR 10 Cb 0.18 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 1k2h h THR 10 CO -0.03 0.39 0.67 -0.07 0.37 0.00 0.00 175.52 176.85 1k2h h LEU 11 N 1.05 1.14 -0.33 2.58 3.38 -1.05 -2.34 115.31 119.75 1k2h h LEU 11 Ca 0.21 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1k2h h LEU 11 Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1k2h h LEU 11 CO 0.01 0.82 0.18 0.40 0.09 0.00 0.00 178.44 179.94 1k2h h ILE 12 N 1.34 1.13 -0.93 1.22 2.04 -1.37 -2.11 117.51 118.83 1k2h h ILE 12 Ca 0.38 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1k2h h ILE 12 Cb -0.12 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1k2h h ILE 12 CO -0.09 0.13 0.53 0.78 0.00 0.00 0.00 178.15 179.50 1k2h h ASN 13 N 0.41 1.14 -0.73 1.72 4.21 -1.42 -2.55 115.58 118.35 1k2h h ASN 13 Ca 0.12 -0.09 -0.06 0.00 1.21 0.00 0.00 56.30 57.48 1k2h h ASN 13 Cb 0.05 -0.29 -0.03 0.00 -1.12 0.00 0.00 38.32 36.93 1k2h h ASN 13 CO -0.02 0.89 0.22 0.58 -1.29 0.00 0.00 177.43 177.81 1k2h h VAL 14 N 1.29 1.26 -1.00 2.81 2.07 -1.17 -2.37 116.25 119.13 1k2h h VAL 14 Ca 0.33 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 67.00 1k2h h VAL 14 Cb -0.01 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.15 1k2h h VAL 14 CO -0.06 0.36 0.65 -0.26 0.02 0.00 0.00 177.57 178.28 1k2h h PHE 15 N 1.10 1.19 -0.31 1.57 0.04 -0.97 0.40 116.94 119.96 1k2h h PHE 15 Ca 0.24 0.03 0.09 0.00 2.80 0.00 0.00 57.97 61.13 1k2h h PHE 15 Cb 0.32 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1k2h h PHE 15 CO 0.03 0.61 0.23 1.25 -0.60 0.00 0.00 178.31 179.83 1k2h h HIS 16 N 1.16 0.00 0.14 -0.55 2.76 -1.25 -0.86 115.15 116.55 1k2h h HIS 16 Ca 0.44 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.60 1k2h h HIS 16 Cb 0.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1k2h h HIS 16 CO -0.00 0.00 -0.07 0.00 -1.30 0.00 0.00 177.93 176.56 1k2h h ALA 17 N 1.82 -0.19 0.17 5.26 0.00 -0.14 2.60 119.26 128.77 1k2h h ALA 17 Ca 0.15 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.71 1k2h h ALA 17 Cb 0.61 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.51 1k2h h ALA 17 CO -0.00 -0.61 -1.29 0.45 0.00 0.00 0.00 179.25 177.80 1k2h h HIS 18 N -0.19 0.97 -0.60 0.00 3.86 -1.44 -3.32 115.15 114.44 1k2h h HIS 18 Ca -0.02 -0.65 0.00 0.00 -1.16 0.00 0.00 60.37 58.54 1k2h h HIS 18 Cb 0.15 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1k2h h HIS 18 CO -0.07 1.49 0.00 0.43 0.86 0.00 0.00 177.93 180.65 1k2h n SER 19 N -3.80 5.20 0.00 2.45 7.64 -0.39 -4.51 113.62 120.21 1k2h n SER 19 Ca -0.15 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.02 1k2h n SER 19 Cb 1.01 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1k2h n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k2h n GLY 20 N 0.81 -0.23 3.67 0.23 0.00 0.87 -4.21 105.19 106.33 1k2h n GLY 20 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1k2h n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k2h s LYS 21 N -2.38 4.21 0.26 1.61 2.20 -1.26 -4.85 119.74 119.52 1k2h s LYS 21 Ca 0.00 2.09 -0.05 0.00 -0.36 0.00 0.00 55.97 57.66 1k2h s LYS 21 Cb 0.00 -3.84 0.32 0.00 -1.51 0.00 0.00 37.83 32.80 1k2h s LYS 21 CO 0.00 -0.77 1.94 1.49 -0.36 0.00 0.00 175.35 177.65 1k2h h GLU 22 N 8.92 1.25 0.00 4.03 4.22 -1.99 -2.92 114.58 128.08 1k2h h GLU 22 Ca -0.38 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1k2h h GLU 22 Cb 1.17 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1k2h h GLU 22 CO 0.94 0.83 0.00 0.41 -2.18 0.00 0.00 179.01 179.01 1k2h n GLY 23 N -1.39 -2.90 3.30 1.92 0.00 -1.26 -3.60 105.19 101.26 1k2h n GLY 23 Ca 0.12 0.34 -0.44 0.00 0.00 0.00 0.00 46.02 46.04 1k2h n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k2h s ASP 24 N -2.55 6.96 0.45 1.61 1.01 -1.16 -4.84 116.67 118.15 1k2h s ASP 24 Ca 0.00 -3.43 0.24 0.00 0.71 0.00 0.00 52.55 50.06 1k2h s ASP 24 Cb 0.00 -2.15 1.00 0.00 1.01 0.00 0.00 42.92 42.77 1k2h s ASP 24 CO 0.00 -0.32 1.87 0.11 0.21 0.00 0.00 175.17 177.03 1k2h h LYS 25 N 6.78 0.00 -6.49 8.23 1.57 -1.57 -3.41 116.57 121.66 1k2h h LYS 25 Ca 0.16 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.51 1k2h h LYS 25 Cb 0.90 0.00 0.23 0.00 0.08 0.00 0.00 32.23 33.43 1k2h h LYS 25 CO 0.93 0.23 -1.26 0.66 -0.57 0.00 0.00 179.45 179.45 1k2h n TYR 26 N -3.49 -1.51 0.00 -1.35 4.01 -1.26 -4.73 117.16 108.84 1k2h n TYR 26 Ca -0.00 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1k2h n TYR 26 Cb 0.40 -1.51 0.00 0.00 -0.31 0.00 0.00 39.34 37.92 1k2h n TYR 26 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1k2h n LYS 27 N -1.36 0.00 -3.57 -0.72 3.00 -0.64 -4.62 118.16 110.26 1k2h n LYS 27 Ca 0.01 0.07 -0.06 0.00 -0.00 0.00 0.00 58.31 58.33 1k2h n LYS 27 Cb 0.61 -0.95 -0.02 0.00 0.00 0.00 0.00 35.03 34.67 1k2h n LYS 27 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1k2h s LEU 28 N -1.04 -0.22 0.53 3.14 1.98 -1.22 -4.44 118.68 117.41 1k2h s LEU 28 Ca 0.00 -0.03 -0.20 0.00 -2.89 0.00 0.00 54.13 51.02 1k2h s LEU 28 Cb 0.00 1.66 -0.09 0.00 0.66 0.00 0.00 46.19 48.42 1k2h s LEU 28 CO 0.00 -0.41 0.67 -1.20 -1.89 0.00 0.00 176.35 173.51 1k2h n SER 29 N -0.19 -0.40 -0.12 3.68 7.64 -1.26 -2.95 113.62 120.02 1k2h n SER 29 Ca -0.04 0.82 -0.05 0.00 1.01 0.00 0.00 58.87 60.61 1k2h n SER 29 Cb 0.60 -1.22 0.02 0.00 -1.01 0.00 0.00 64.21 62.60 1k2h n SER 29 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1k2h h LYS 30 N 0.56 0.07 -0.69 1.43 1.57 -1.40 -0.21 116.57 117.90 1k2h h LYS 30 Ca -0.45 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.41 1k2h h LYS 30 Cb 1.39 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.61 1k2h h LYS 30 CO 0.50 0.05 0.35 -0.22 -0.57 0.00 0.00 179.45 179.56 1k2h h LYS 31 N 0.08 0.60 -0.32 3.15 1.63 -0.20 -2.10 116.57 119.41 1k2h h LYS 31 Ca 0.19 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.78 1k2h h LYS 31 Cb 0.28 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1k2h h LYS 31 CO -0.34 0.40 -0.49 1.49 -3.45 0.00 0.00 179.45 177.06 1k2h h GLU 32 N 0.62 0.90 -0.44 1.90 4.57 -1.66 -3.19 114.58 117.28 1k2h h GLU 32 Ca 0.33 -0.54 0.07 0.00 -1.18 0.00 0.00 59.36 58.04 1k2h h GLU 32 Cb 0.30 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.88 1k2h h GLU 32 CO -0.24 1.18 0.09 1.25 -1.18 0.00 0.00 179.01 180.11 1k2h h LEU 33 N 0.70 0.01 -0.57 1.64 7.12 -0.39 -0.67 115.31 123.14 1k2h h LEU 33 Ca 0.03 0.08 -0.11 0.00 0.13 0.00 0.00 57.88 58.01 1k2h h LEU 33 Cb 1.10 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 41.31 1k2h h LEU 33 CO 0.11 0.04 -0.07 0.50 -0.13 0.00 0.00 178.44 178.89 1k2h h LYS 34 N 0.22 1.05 0.00 1.25 1.63 -1.48 -2.55 116.57 116.69 1k2h h LYS 34 Ca 0.21 -0.37 -0.06 0.00 -0.85 0.00 0.00 60.65 59.58 1k2h h LYS 34 Cb 0.27 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1k2h h LYS 34 CO -0.28 1.07 -0.29 -0.44 -3.45 0.00 0.00 179.45 176.06 1k2h h ASP 35 N 0.93 0.00 0.39 4.20 3.32 -1.45 -1.78 116.42 122.03 1k2h h ASP 35 Ca 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1k2h h ASP 35 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1k2h h ASP 35 CO 0.04 0.29 -0.19 0.25 -1.72 0.00 0.00 179.24 177.92 1k2h h LEU 36 N 0.00 -0.44 0.13 1.55 6.46 -0.75 -3.21 115.31 119.04 1k2h h LEU 36 Ca -0.00 0.01 -0.30 0.00 -0.12 0.00 0.00 57.88 57.46 1k2h h LEU 36 Cb 0.61 0.11 0.03 0.00 -0.73 0.00 0.00 40.66 40.68 1k2h h LEU 36 CO 0.04 -0.01 -1.27 -0.07 -0.62 0.00 0.00 178.44 176.51 1k2h h LEU 37 N -1.14 0.87 -1.76 2.25 4.07 -1.52 -2.81 115.31 115.28 1k2h h LEU 37 Ca -0.05 -0.82 0.15 0.00 0.08 0.00 0.00 57.88 57.24 1k2h h LEU 37 Cb 0.41 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.83 1k2h h LEU 37 CO 0.09 1.62 0.45 -0.61 -1.08 0.00 0.00 178.44 178.91 1k2h h GLN 38 N 0.27 0.23 -0.09 1.13 4.15 -1.50 1.25 115.11 120.54 1k2h h GLN 38 Ca -0.19 -0.01 -0.24 0.00 0.77 0.00 0.00 58.65 58.97 1k2h h GLN 38 Cb 1.94 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 29.59 1k2h h GLN 38 CO 0.24 0.16 -0.89 1.15 -1.93 0.00 0.00 178.83 177.56 1k2h h THR 39 N 0.24 1.28 -0.24 2.39 2.02 -1.55 -2.41 112.91 114.64 1k2h h THR 39 Ca 0.32 -2.08 -0.13 0.00 0.77 0.00 0.00 66.41 65.28 1k2h h THR 39 Cb 0.91 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 1k2h h THR 39 CO -0.07 0.65 -0.41 -0.08 0.37 0.00 0.00 175.52 175.99 1k2h h GLU 40 N 0.48 0.57 -1.04 6.66 4.57 -0.22 -2.85 114.58 122.75 1k2h h GLU 40 Ca -0.08 -0.29 -0.41 0.00 -1.18 0.00 0.00 59.36 57.39 1k2h h GLU 40 Cb 1.53 0.01 -0.23 0.00 -0.16 0.00 0.00 28.75 29.89 1k2h h GLU 40 CO 0.18 0.88 0.53 1.28 -1.18 0.00 0.00 179.01 180.69 1k2h n LEU 41 N -4.03 6.04 -0.37 1.64 4.77 0.39 -4.54 117.00 120.91 1k2h n LEU 41 Ca -0.02 -3.21 -0.02 0.00 -0.03 0.00 0.00 56.01 52.73 1k2h n LEU 41 Cb 0.52 -0.80 0.11 0.00 -2.33 0.00 0.00 43.42 40.92 1k2h n LEU 41 CO 0.45 0.99 1.29 0.28 -1.33 0.00 0.00 177.39 179.06 1k2h h SER 42 N 0.91 1.14 -0.21 -1.43 0.02 -1.18 -1.49 113.55 111.32 1k2h h SER 42 Ca 0.48 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.38 1k2h h SER 42 Cb 2.17 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 64.41 1k2h h SER 42 CO 0.90 0.83 0.10 0.28 -1.14 0.00 0.00 176.83 177.80 1k2h h SER 43 N 1.35 0.33 -0.97 3.07 0.02 -1.86 -0.23 113.55 115.25 1k2h h SER 43 Ca 0.36 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.30 1k2h h SER 43 Cb -0.15 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.26 1k2h h SER 43 CO -0.08 0.31 0.64 -0.26 -1.14 0.00 0.00 176.83 176.31 1k2h h PHE 44 N 0.37 1.22 0.00 3.45 -1.00 -1.61 0.83 116.94 120.19 1k2h h PHE 44 Ca 0.09 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.90 1k2h h PHE 44 Cb 0.09 -0.41 0.00 0.00 3.61 0.00 0.00 35.95 39.24 1k2h h PHE 44 CO 0.00 0.76 0.04 1.28 -1.61 0.00 0.00 178.31 178.78 1k2h n LEU 45 N -4.39 0.00 -0.28 1.54 4.77 -0.10 -2.27 117.00 116.27 1k2h n LEU 45 Ca 0.12 0.24 0.23 0.00 -0.03 0.00 0.00 56.01 56.56 1k2h n LEU 45 Cb 0.02 -0.24 0.54 0.00 -2.33 0.00 0.00 43.42 41.42 1k2h n LEU 45 CO 0.37 -0.24 1.23 0.44 -1.33 0.00 0.00 177.39 177.86 1k2h h ASP 46 N 0.00 0.37 -2.80 -1.43 3.32 0.66 -3.33 116.42 113.21 1k2h h ASP 46 Ca 0.00 0.05 -0.53 0.00 0.02 0.00 0.00 57.03 56.58 1k2h h ASP 46 Cb 0.07 -0.01 -0.40 0.00 0.22 0.00 0.00 39.33 39.21 1k2h h ASP 46 CO 0.00 0.11 -0.78 0.54 -1.72 0.00 0.00 179.24 177.39 1k2h s VAL 47 N -5.39 -0.07 -0.22 -1.35 0.11 -0.96 -4.98 120.40 107.53 1k2h s VAL 47 Ca -0.08 -0.72 -0.29 0.00 -2.93 0.00 0.00 61.98 57.96 1k2h s VAL 47 Cb 0.24 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 1k2h s VAL 47 CO 0.79 -0.70 1.60 0.00 -3.33 0.00 0.00 175.10 173.46 1k2h s GLN 48 N 2.10 3.80 0.00 1.54 -2.07 -1.25 -4.34 119.66 119.44 1k2h s GLN 48 Ca 0.09 1.64 0.00 0.00 -1.82 0.00 0.00 55.36 55.27 1k2h s GLN 48 Cb -0.16 -4.03 0.00 0.00 -1.09 0.00 0.00 33.01 27.73 1k2h s GLN 48 CO -0.35 -1.28 0.00 1.63 -1.32 0.00 0.00 175.29 173.97 1k2h n LYS 49 N 7.63 0.00 -3.33 9.60 4.76 1.15 -4.84 118.16 133.14 1k2h n LYS 49 Ca 0.19 0.01 -0.45 0.00 -2.87 0.00 0.00 58.31 55.18 1k2h n LYS 49 Cb 0.45 -0.26 -0.06 0.00 -1.84 0.00 0.00 35.03 33.32 1k2h n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1k2h s ASP 50 N -1.06 6.18 0.42 4.39 1.01 -0.98 -4.88 116.67 121.75 1k2h s ASP 50 Ca 0.00 -1.64 0.29 0.00 0.71 0.00 0.00 52.55 51.91 1k2h s ASP 50 Cb 0.00 -2.20 1.09 0.00 1.01 0.00 0.00 42.92 42.82 1k2h s ASP 50 CO 0.00 -0.80 1.84 0.00 0.21 0.00 0.00 175.17 176.42 1k2h h ALA 51 N 8.86 1.00 -0.31 5.23 0.00 -1.88 -2.87 119.26 129.28 1k2h h ALA 51 Ca -0.30 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1k2h h ALA 51 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1k2h h ALA 51 CO 0.99 0.00 -0.52 0.22 0.00 0.00 0.00 179.25 179.94 1k2h h ASP 52 N 0.00 0.99 0.07 0.00 1.82 -1.96 -0.97 116.42 116.38 1k2h h ASP 52 Ca 0.00 -0.52 -0.00 0.00 -0.39 0.00 0.00 57.03 56.12 1k2h h ASP 52 Cb 0.54 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.27 1k2h h ASP 52 CO 0.00 1.33 -0.04 0.00 -1.61 0.00 0.00 179.24 178.92 1k2h h ALA 53 N 0.70 -0.10 -0.68 -0.78 0.00 -1.86 -1.79 119.26 114.74 1k2h h ALA 53 Ca 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1k2h h ALA 53 Cb 1.13 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1k2h h ALA 53 CO 0.12 -0.42 0.45 0.28 0.00 0.00 0.00 179.25 179.68 1k2h h VAL 54 N -0.37 1.18 -0.98 0.00 2.07 -1.59 -1.65 116.25 114.91 1k2h h VAL 54 Ca -0.01 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1k2h h VAL 54 Cb 0.32 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1k2h h VAL 54 CO 0.02 0.17 0.63 -0.78 0.02 0.00 0.00 177.57 177.63 1k2h h ASP 55 N 0.93 1.14 -0.51 0.57 1.82 -0.80 -1.69 116.42 117.87 1k2h h ASP 55 Ca 0.25 -0.04 -0.13 0.00 -0.39 0.00 0.00 57.03 56.72 1k2h h ASP 55 Cb -0.11 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 39.60 1k2h h ASP 55 CO -0.05 0.83 -0.18 0.50 -1.61 0.00 0.00 179.24 178.73 1k2h h LYS 56 N 1.33 1.02 -1.00 0.28 3.64 -0.45 -2.91 116.57 118.49 1k2h h LYS 56 Ca 0.36 -0.42 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1k2h h LYS 56 Cb -0.13 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.60 1k2h h LYS 56 CO -0.07 1.10 0.66 0.82 -2.27 0.00 0.00 179.45 179.69 1k2h h ILE 57 N 0.89 1.26 0.00 2.00 2.04 -0.89 -0.85 117.51 121.96 1k2h h ILE 57 Ca 0.12 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1k2h h ILE 57 Cb 0.76 -0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1k2h h ILE 57 CO 0.06 0.25 -0.02 0.24 0.00 0.00 0.00 178.15 178.68 1k2h h MET 58 N 1.36 0.00 -0.92 2.37 2.86 -1.13 -1.97 114.93 117.50 1k2h h MET 58 Ca 0.37 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1k2h h MET 58 Cb -0.16 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 1k2h h MET 58 CO -0.08 0.02 0.56 0.87 1.06 0.00 0.00 176.91 179.35 1k2h h LYS 59 N 0.00 1.24 -0.49 1.72 1.57 -1.09 -1.59 116.57 117.92 1k2h h LYS 59 Ca -0.00 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.54 1k2h h LYS 59 Cb 0.04 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1k2h h LYS 59 CO 0.00 0.85 -0.21 0.93 -0.57 0.00 0.00 179.45 180.46 1k2h h GLU 60 N 1.26 1.01 -0.01 3.15 4.39 -1.40 -0.76 114.58 122.21 1k2h h GLU 60 Ca 0.33 -0.43 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 1k2h h GLU 60 Cb -0.07 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1k2h h GLU 60 CO -0.06 1.11 -0.47 -0.07 -1.16 0.00 0.00 179.01 178.35 1k2h h LEU 61 N 0.87 0.03 0.01 1.33 -0.00 -1.41 -2.93 115.31 113.21 1k2h h LEU 61 Ca 0.11 -0.01 -0.32 0.00 -0.00 0.00 0.00 57.88 57.66 1k2h h LEU 61 Cb 0.79 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.39 1k2h h LEU 61 CO 0.07 0.50 -1.89 -0.67 -0.00 0.00 0.00 178.44 176.45 1k2h n ASP 62 N -3.98 0.82 0.13 -0.43 -0.08 -0.64 -0.57 116.55 111.80 1k2h n ASP 62 Ca -0.02 0.30 -0.01 0.00 -1.51 0.00 0.00 54.79 53.55 1k2h n ASP 62 Cb 0.50 0.08 0.22 0.00 2.34 0.00 0.00 41.12 44.26 1k2h n ASP 62 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1k2h h GLU 63 N 0.01 0.10 -0.04 -0.67 4.11 -1.17 -3.38 114.58 113.55 1k2h h GLU 63 Ca -0.36 -0.06 -0.23 0.00 0.07 0.00 0.00 59.36 58.78 1k2h h GLU 63 Cb 2.06 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 31.16 1k2h h GLU 63 CO 0.07 0.58 -0.40 0.27 0.07 0.00 0.00 179.01 179.60 1k2h n ASN 64 N -3.94 -1.97 -0.11 3.06 2.04 -1.11 -4.96 115.26 108.27 1k2h n ASN 64 Ca -0.02 -2.88 0.27 0.00 -0.44 0.00 0.00 54.58 51.52 1k2h n ASN 64 Cb 0.53 1.28 0.71 0.00 -2.53 0.00 0.00 39.78 39.76 1k2h n ASN 64 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1k2h h GLY 65 N 2.35 0.00 1.02 4.83 0.00 -0.96 1.81 103.07 112.13 1k2h h GLY 65 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1k2h h GLY 65 CO 0.01 0.00 -0.03 2.09 0.00 0.00 0.00 176.54 178.61 1k2h n ASP 66 N -3.89 0.26 -1.92 0.19 5.75 -1.26 0.52 116.55 116.19 1k2h n ASP 66 Ca 0.16 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.29 1k2h n ASP 66 Cb 0.97 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 1k2h n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k2h n GLY 67 N 1.18 -1.45 3.42 6.12 0.00 0.61 -4.72 105.19 110.36 1k2h n GLY 67 Ca 0.18 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 1k2h n GLY 67 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k2h s GLU 68 N 0.00 1.09 0.13 1.61 -1.05 -1.26 -3.10 118.70 116.11 1k2h s GLU 68 Ca 0.00 -0.22 0.05 0.00 -0.15 0.00 0.00 54.97 54.65 1k2h s GLU 68 Cb 0.00 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.15 1k2h s GLU 68 CO 0.00 -0.41 -0.11 0.14 0.95 0.00 0.00 175.26 175.83 1k2h s VAL 69 N -2.54 1.13 0.00 1.83 -7.23 -1.15 -4.77 120.40 107.67 1k2h s VAL 69 Ca -0.05 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1k2h s VAL 69 Cb -0.01 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.32 1k2h s VAL 69 CO -0.02 -0.61 0.00 0.47 -0.31 0.00 0.00 175.10 174.63 1k2h n ASP 70 N 0.21 0.84 -0.11 4.85 8.00 -1.26 -1.62 116.55 127.46 1k2h n ASP 70 Ca -0.13 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.27 1k2h n ASP 70 Cb 0.59 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1k2h n ASP 70 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1k2h h PHE 71 N 0.00 0.55 -0.01 1.24 -5.15 -1.96 0.16 116.94 111.76 1k2h h PHE 71 Ca 0.00 -0.05 -0.18 0.00 -0.20 0.00 0.00 57.97 57.54 1k2h h PHE 71 Cb 0.00 -0.16 -0.01 0.00 0.22 0.00 0.00 35.95 36.00 1k2h h PHE 71 CO 0.00 0.53 -0.81 0.37 -2.00 0.00 0.00 178.31 176.40 1k2h h GLN 72 N 0.41 0.17 0.16 6.09 4.15 -1.97 -1.57 115.11 122.54 1k2h h GLN 72 Ca 0.11 -0.17 -0.31 0.00 0.77 0.00 0.00 58.65 59.05 1k2h h GLN 72 Cb 0.23 0.04 0.03 0.00 0.21 0.00 0.00 27.48 28.00 1k2h h GLN 72 CO -0.01 0.89 -1.32 0.93 -1.93 0.00 0.00 178.83 177.39 1k2h h GLU 73 N 0.10 0.60 0.05 1.69 5.08 -1.91 -2.22 114.58 117.97 1k2h h GLU 73 Ca -0.03 -0.87 -0.23 0.00 -1.00 0.00 0.00 59.36 57.23 1k2h h GLU 73 Cb 1.41 0.30 -0.02 0.00 0.50 0.00 0.00 28.75 30.94 1k2h h GLU 73 CO 0.12 1.40 -1.08 0.27 -1.00 0.00 0.00 179.01 178.72 1k2h h PHE 74 N 0.24 0.19 -0.39 4.33 -5.15 -0.76 -2.72 116.94 112.68 1k2h h PHE 74 Ca -0.21 -0.14 -0.16 0.00 -0.20 0.00 0.00 57.97 57.26 1k2h h PHE 74 Cb 2.00 -0.01 -0.01 0.00 0.22 0.00 0.00 35.95 38.16 1k2h h PHE 74 CO 0.12 1.10 -0.38 0.28 -2.00 0.00 0.00 178.31 177.42 1k2h h VAL 75 N 0.03 1.27 -0.46 0.88 2.07 -1.37 -1.83 116.25 116.84 1k2h h VAL 75 Ca -0.06 -1.56 -0.14 0.00 0.82 0.00 0.00 66.70 65.77 1k2h h VAL 75 Cb 1.83 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1k2h h VAL 75 CO 0.16 0.52 -0.25 0.58 0.02 0.00 0.00 177.57 178.60 1k2h h VAL 76 N 0.77 1.27 -0.36 2.57 2.07 -1.44 -2.08 116.25 119.06 1k2h h VAL 76 Ca 0.06 -1.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.06 1k2h h VAL 76 Cb 0.98 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1k2h h VAL 76 CO 0.10 0.49 -0.22 -0.07 0.02 0.00 0.00 177.57 177.88 1k2h h LEU 77 N 0.83 0.71 -0.39 2.57 4.07 -1.42 -2.35 115.31 119.34 1k2h h LEU 77 Ca 0.10 -0.25 -0.16 0.00 0.08 0.00 0.00 57.88 57.65 1k2h h LEU 77 Cb 0.83 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 1k2h h LEU 77 CO 0.07 0.92 -0.37 0.58 -1.08 0.00 0.00 178.44 178.56 1k2h h VAL 78 N 0.61 1.27 -0.98 1.22 2.07 -1.22 -0.64 116.25 118.58 1k2h h VAL 78 Ca 0.09 -1.55 0.01 0.00 0.82 0.00 0.00 66.70 66.07 1k2h h VAL 78 Cb 0.71 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1k2h h VAL 78 CO 0.05 0.52 0.65 0.00 0.02 0.00 0.00 177.57 178.81 1k2h h ALA 79 N 0.77 1.29 -0.59 1.67 0.00 -1.26 0.58 119.26 121.72 1k2h h ALA 79 Ca 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1k2h h ALA 79 Cb 0.97 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1k2h h ALA 79 CO 0.09 0.65 0.24 0.00 0.00 0.00 0.00 179.25 180.24 1k2h h ALA 80 N 1.38 1.31 -0.84 0.00 0.00 -0.98 -2.14 119.26 117.99 1k2h h ALA 80 Ca 0.36 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1k2h h ALA 80 Cb -0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 1k2h h ALA 80 CO -0.08 0.52 0.39 1.25 0.00 0.00 0.00 179.25 181.33 1k2h h LEU 81 N 0.85 1.12 -0.98 0.00 5.85 0.66 -2.37 115.31 120.44 1k2h h LEU 81 Ca 0.20 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1k2h h LEU 81 Cb 0.16 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1k2h h LEU 81 CO -0.02 0.95 0.62 0.74 -0.34 0.00 0.00 178.44 180.39 1k2h h THR 82 N 1.21 1.26 -0.74 1.05 2.02 -0.66 -1.09 112.91 115.96 1k2h h THR 82 Ca 0.29 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.96 1k2h h THR 82 Cb 0.15 -0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.37 1k2h h THR 82 CO -0.03 0.26 0.49 1.62 0.37 0.00 0.00 175.52 178.23 1k2h h VAL 83 N 1.34 1.17 0.00 3.16 3.04 -1.15 0.79 116.25 124.60 1k2h h VAL 83 Ca 0.35 -0.34 -0.02 0.00 -1.01 0.00 0.00 66.70 65.68 1k2h h VAL 83 Cb -0.10 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 29.28 1k2h h VAL 83 CO -0.07 0.18 -0.11 0.00 -1.01 0.00 0.00 177.57 176.56 1k2h h ALA 84 N 1.55 1.04 -1.05 3.17 0.00 -0.97 -3.02 119.26 119.97 1k2h h ALA 84 Ca 0.28 -0.10 -0.38 0.00 0.00 0.00 0.00 54.91 54.70 1k2h h ALA 84 Cb -0.08 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 17.42 1k2h h ALA 84 CO -0.07 0.14 -0.83 0.00 0.00 0.00 0.00 179.25 178.49 1k2h n ASN 86 N 0.99 1.72 -4.71 0.00 2.85 0.25 -4.76 115.26 111.60 1k2h n ASN 86 Ca 0.16 -1.83 -0.43 0.00 -0.11 0.00 0.00 54.58 52.37 1k2h n ASN 86 Cb 0.62 -0.47 -0.01 0.00 1.24 0.00 0.00 39.78 41.16 1k2h n ASN 86 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1k2h n ASN 87 N 2.95 3.20 0.00 1.20 5.15 -1.26 -4.88 115.26 121.61 1k2h n ASN 87 Ca 0.14 1.17 0.00 0.00 -0.60 0.00 0.00 54.58 55.29 1k2h n ASN 87 Cb 0.28 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.01 1k2h n ASN 87 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1k2h n PHE 88 N 1.37 0.00 0.96 1.20 7.35 -1.26 -4.92 117.46 122.16 1k2h n PHE 88 Ca 0.08 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.89 1k2h n PHE 88 Cb 0.35 0.00 0.23 0.00 0.35 0.00 0.00 39.48 40.41 1k2h n PHE 88 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1k2h n PHE 89 N -0.77 0.05 -1.02 -5.13 -0.00 -1.26 -4.18 117.46 105.14 1k2h n PHE 89 Ca 0.00 0.01 -0.17 0.00 -0.00 0.00 0.00 57.45 57.29 1k2h n PHE 89 Cb 0.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 39.48 39.19 1k2h n PHE 89 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1k2h n TRP 90 N -1.56 1.22 -2.41 -5.13 7.02 -1.26 -4.94 117.44 110.38 1k2h n TRP 90 Ca 0.05 -1.80 -0.34 0.00 -1.02 0.00 0.00 57.50 54.39 1k2h n TRP 90 Cb 0.35 -1.08 -0.02 0.00 -2.42 0.00 0.00 31.31 28.13 1k2h n TRP 90 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1k2h s GLU 91 N -1.29 3.63 0.61 -0.99 2.02 -1.26 -4.62 118.70 116.80 1k2h s GLU 91 Ca 0.39 1.39 -0.17 0.00 0.02 0.00 0.00 54.97 56.60 1k2h s GLU 91 Cb 0.26 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.40 1k2h s GLU 91 CO -0.06 -0.58 1.14 0.54 0.02 0.00 0.00 175.26 176.31 1k2h s ASN 92 N -2.05 5.31 0.00 -0.19 4.22 -1.26 -5.13 114.94 115.85 1k2h s ASN 92 Ca 0.68 2.14 0.31 0.00 -2.14 0.00 0.00 52.86 53.85 1k2h s ASN 92 Cb -0.18 -2.57 1.66 0.00 1.28 0.00 0.00 41.25 41.44 1k2h s ASN 92 CO 0.24 -1.50 2.09 -1.54 -2.04 0.00 0.00 177.10 174.35