#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 6.35 0.11 1.61 0.01 -1.26 -4.97 113.70 115.55 1k2h s SER 2 Ca 0.00 1.70 -0.14 0.00 1.31 0.00 0.00 55.95 58.83 1k2h s SER 2 Cb 0.00 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 1k2h s SER 2 CO 0.00 -0.77 1.42 -0.33 0.41 0.00 0.00 173.24 173.97 1k2h h GLU 3 N 0.94 0.77 -0.27 12.44 3.07 -2.07 -3.12 114.58 126.34 1k2h h GLU 3 Ca -0.47 -0.42 -0.19 0.00 -0.50 0.00 0.00 59.36 57.78 1k2h h GLU 3 Cb 1.20 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1k2h h GLU 3 CO 0.60 1.05 -0.57 -0.07 -1.40 0.00 0.00 179.01 178.62 1k2h h LEU 4 N 0.53 0.97 -0.90 1.33 3.38 -2.01 -3.15 115.31 115.46 1k2h h LEU 4 Ca 0.04 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1k2h h LEU 4 Cb 0.93 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1k2h h LEU 4 CO 0.08 1.33 0.47 1.05 0.09 0.00 0.00 178.44 181.47 1k2h h GLU 5 N 0.64 1.25 -0.89 1.13 4.11 -1.97 -2.57 114.58 116.28 1k2h h GLU 5 Ca 0.01 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.26 1k2h h GLU 5 Cb 1.18 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1k2h h GLU 5 CO 0.13 0.93 0.49 1.15 0.07 0.00 0.00 179.01 181.77 1k2h h THR 6 N 1.25 1.26 -0.38 -1.06 2.02 -1.55 -2.68 112.91 111.76 1k2h h THR 6 Ca 0.31 -0.63 -0.16 0.00 0.77 0.00 0.00 66.41 66.70 1k2h h THR 6 Cb 0.05 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1k2h h THR 6 CO -0.05 0.29 -0.39 0.00 0.37 0.00 0.00 175.52 175.74 1k2h h ALA 7 N 1.27 0.56 -0.57 6.16 0.00 -1.43 -2.78 119.26 122.46 1k2h h ALA 7 Ca 0.31 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1k2h h ALA 7 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1k2h h ALA 7 CO -0.05 0.67 0.30 1.98 0.00 0.00 0.00 179.25 182.14 1k2h h MET 8 N 0.75 0.81 -0.97 0.00 -1.53 -1.29 -2.19 114.93 110.50 1k2h h MET 8 Ca 0.06 -0.10 0.01 0.00 -3.44 0.00 0.00 59.70 56.22 1k2h h MET 8 Cb 0.99 -0.15 -0.05 0.00 -0.55 0.00 0.00 31.60 31.83 1k2h h MET 8 CO 0.10 0.64 0.64 1.49 0.14 0.00 0.00 176.91 179.91 1k2h h GLU 9 N 0.77 1.29 -1.00 0.39 4.81 -1.46 -2.09 114.58 117.29 1k2h h GLU 9 Ca 0.20 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1k2h h GLU 9 Cb 0.07 -0.29 -0.05 0.00 0.63 0.00 0.00 28.75 29.12 1k2h h GLU 9 CO -0.03 0.86 0.66 1.15 -0.73 0.00 0.00 179.01 180.92 1k2h h THR 10 N 1.32 1.26 -1.00 0.32 2.02 -1.12 -2.42 112.91 113.29 1k2h h THR 10 Ca 0.36 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1k2h h THR 10 Cb -0.14 -0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 66.00 1k2h h THR 10 CO -0.08 0.25 0.67 -0.07 0.37 0.00 0.00 175.52 176.66 1k2h h LEU 11 N 1.36 1.15 -0.49 2.58 3.38 -0.90 -2.45 115.31 119.94 1k2h h LEU 11 Ca 0.37 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1k2h h LEU 11 Cb -0.16 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.28 1k2h h LEU 11 CO -0.08 0.83 0.26 0.40 0.09 0.00 0.00 178.44 179.94 1k2h h ILE 12 N 1.36 1.18 -0.85 1.22 1.08 -1.37 -2.36 117.51 117.76 1k2h h ILE 12 Ca 0.37 -0.46 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1k2h h ILE 12 Cb -0.16 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 34.14 1k2h h ILE 12 CO -0.08 0.19 0.56 -1.13 -0.69 0.00 0.00 178.15 177.00 1k2h h ASN 13 N 0.65 0.98 -0.19 1.72 -0.73 -1.33 -2.83 115.58 113.85 1k2h h ASN 13 Ca 0.17 -0.03 -0.14 0.00 1.87 0.00 0.00 56.30 58.17 1k2h h ASN 13 Cb 0.07 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.40 1k2h h ASN 13 CO -0.03 0.72 -0.40 0.58 -0.37 0.00 0.00 177.43 177.94 1k2h h VAL 14 N 1.16 1.29 -0.77 2.57 2.07 -1.26 -2.73 116.25 118.57 1k2h h VAL 14 Ca 0.31 -1.57 0.11 0.00 0.82 0.00 0.00 66.70 66.37 1k2h h VAL 14 Cb -0.12 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1k2h h VAL 14 CO -0.07 0.51 0.50 -0.26 0.02 0.00 0.00 177.57 178.28 1k2h h PHE 15 N 0.60 0.70 -0.83 1.57 0.04 -1.18 0.35 116.94 118.19 1k2h h PHE 15 Ca 0.05 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.85 1k2h h PHE 15 Cb 0.94 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.82 1k2h h PHE 15 CO 0.05 0.32 0.55 1.25 -0.60 0.00 0.00 178.31 179.87 1k2h h HIS 16 N 0.65 1.04 0.06 -0.55 2.76 -1.36 1.55 115.15 119.31 1k2h h HIS 16 Ca 0.36 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.58 1k2h h HIS 16 Cb 0.52 -0.35 -0.05 0.00 1.55 0.00 0.00 27.41 29.08 1k2h h HIS 16 CO -0.00 0.66 -0.42 0.00 -1.30 0.00 0.00 177.93 176.86 1k2h h ALA 17 N 1.48 -0.72 0.04 5.26 0.00 -0.27 2.58 119.26 127.64 1k2h h ALA 17 Ca 0.30 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1k2h h ALA 17 Cb -0.13 0.73 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1k2h h ALA 17 CO -0.07 -0.98 -0.25 0.45 0.00 0.00 0.00 179.25 178.41 1k2h h HIS 18 N -0.62 0.16 -0.22 0.00 3.86 -1.44 -3.36 115.15 113.53 1k2h h HIS 18 Ca 0.03 -0.11 -0.14 0.00 -1.16 0.00 0.00 60.37 58.99 1k2h h HIS 18 Cb 0.67 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 1k2h h HIS 18 CO -0.40 1.09 -0.44 0.66 0.86 0.00 0.00 177.93 179.71 1k2h h SER 19 N -0.82 0.59 -0.65 2.45 4.64 0.22 -2.87 113.55 117.11 1k2h h SER 19 Ca -0.04 -0.28 0.19 0.00 -0.47 0.00 0.00 61.79 61.19 1k2h h SER 19 Cb 1.19 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 1k2h h SER 19 CO 0.04 0.95 0.65 1.23 -0.87 0.00 0.00 176.83 178.83 1k2h h GLY 20 N 1.06 0.00 2.00 -0.77 0.00 0.45 2.26 103.07 108.07 1k2h h GLY 20 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1k2h h GLY 20 CO 0.08 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.79 1k2h n LYS 21 N -3.73 0.20 -3.20 4.80 0.00 -1.08 -4.68 118.16 110.47 1k2h n LYS 21 Ca 0.13 0.34 -0.38 0.00 0.00 0.00 0.00 58.31 58.41 1k2h n LYS 21 Cb 0.88 -1.83 -0.06 0.00 0.00 0.00 0.00 35.03 34.03 1k2h n LYS 21 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1k2h s GLU 22 N -3.23 4.24 0.21 1.64 2.12 0.76 -4.97 118.70 119.47 1k2h s GLU 22 Ca 0.06 0.80 -0.09 0.00 0.36 0.00 0.00 54.97 56.10 1k2h s GLU 22 Cb 0.10 -3.11 0.25 0.00 0.26 0.00 0.00 34.13 31.63 1k2h s GLU 22 CO 0.45 0.55 1.80 0.78 -0.54 0.00 0.00 175.26 178.29 1k2h h GLY 23 N 4.08 0.96 -2.43 -1.50 0.00 -1.83 -3.41 103.07 98.94 1k2h h GLY 23 Ca -0.49 -0.23 -0.49 0.00 0.00 0.00 0.00 47.33 46.12 1k2h h GLY 23 CO 0.65 0.12 -0.03 0.99 0.00 0.00 0.00 176.54 178.27 1k2h s ASP 24 N -5.55 6.31 0.00 0.19 1.01 -1.26 -4.97 116.67 112.40 1k2h s ASP 24 Ca -0.13 0.75 0.26 0.00 0.71 0.00 0.00 52.55 54.14 1k2h s ASP 24 Cb 0.16 -2.16 1.15 0.00 1.01 0.00 0.00 42.92 43.08 1k2h s ASP 24 CO 0.76 -0.42 1.85 0.29 0.21 0.00 0.00 175.17 177.86 1k2h n LYS 25 N -1.87 0.06 -1.17 8.23 4.01 -1.26 -4.81 118.16 121.35 1k2h n LYS 25 Ca -0.02 0.05 -0.35 0.00 -0.51 0.00 0.00 58.31 57.48 1k2h n LYS 25 Cb 0.55 -1.50 0.09 0.00 -0.51 0.00 0.00 35.03 33.66 1k2h n LYS 25 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1k2h n TYR 26 N -1.47 -0.42 0.00 2.13 4.01 -1.26 -4.89 117.16 115.26 1k2h n TYR 26 Ca 0.07 0.34 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 1k2h n TYR 26 Cb 0.29 -1.94 0.00 0.00 -0.31 0.00 0.00 39.34 37.38 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 -1.43 0.00 -3.82 -0.72 3.00 -0.28 -4.81 118.16 110.09 1k2h n LYS 27 Ca 0.10 0.14 0.01 0.00 -0.00 0.00 0.00 58.31 58.56 1k2h n LYS 27 Cb 0.51 -0.86 0.01 0.00 0.00 0.00 0.00 35.03 34.69 1k2h n LYS 27 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1k2h n LEU 28 N -0.50 0.00 -4.75 3.14 7.94 -1.20 -4.36 117.00 117.27 1k2h n LEU 28 Ca 0.00 -0.73 -0.36 0.00 -1.11 0.00 0.00 56.01 53.82 1k2h n LEU 28 Cb 0.00 2.06 0.03 0.00 0.53 0.00 0.00 43.42 46.05 1k2h n LEU 28 CO 0.00 -0.24 0.83 -0.55 -1.11 0.00 0.00 177.39 176.31 1k2h s SER 29 N -3.54 5.18 0.18 1.96 0.15 -1.26 -2.30 113.70 114.07 1k2h s SER 29 Ca 0.26 2.34 -0.14 0.00 0.70 0.00 0.00 55.95 59.11 1k2h s SER 29 Cb -0.01 -2.59 0.16 0.00 -1.71 0.00 0.00 66.02 61.86 1k2h s SER 29 CO 0.01 -1.59 1.72 0.11 1.20 0.00 0.00 173.24 174.69 1k2h h LYS 30 N 0.80 0.23 -0.67 5.44 1.79 -1.44 1.28 116.57 123.99 1k2h h LYS 30 Ca -0.50 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 57.96 1k2h h LYS 30 Cb 1.29 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.86 1k2h h LYS 30 CO 0.55 0.15 0.44 -0.22 -1.08 0.00 0.00 179.45 179.29 1k2h h LYS 31 N 0.23 0.88 0.00 3.15 1.63 0.44 -2.34 116.57 120.56 1k2h h LYS 31 Ca 0.23 -0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.86 1k2h h LYS 31 Cb 0.29 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1k2h h LYS 31 CO -0.29 0.58 -0.83 1.49 -3.45 0.00 0.00 179.45 176.96 1k2h h GLU 32 N 0.90 0.00 -0.36 1.90 4.57 -1.67 -3.20 114.58 116.72 1k2h h GLU 32 Ca 0.24 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.50 1k2h h GLU 32 Cb -0.10 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.41 1k2h h GLU 32 CO -0.05 0.37 -0.16 1.25 -1.18 0.00 0.00 179.01 179.24 1k2h h LEU 33 N 0.00 -0.55 -0.55 1.64 5.85 0.22 -1.50 115.31 120.43 1k2h h LEU 33 Ca -0.06 0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 1k2h h LEU 33 Cb 1.41 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 1k2h h LEU 33 CO 0.05 -0.19 -0.65 0.50 -0.34 0.00 0.00 178.44 177.81 1k2h h LYS 34 N -0.10 0.31 -0.99 1.25 1.63 -1.59 -3.17 116.57 113.91 1k2h h LYS 34 Ca 0.18 -0.23 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1k2h h LYS 34 Cb 0.37 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.99 1k2h h LYS 34 CO -0.42 0.86 0.66 -0.44 -3.45 0.00 0.00 179.45 176.65 1k2h h ASP 35 N 0.22 1.14 0.18 4.20 3.32 -1.28 -1.82 116.42 122.38 1k2h h ASP 35 Ca -0.01 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1k2h h ASP 35 Cb 1.19 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1k2h h ASP 35 CO 0.11 0.82 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.29 1k2h h LEU 36 N 1.34 -0.21 -0.60 1.55 3.38 -1.42 -3.17 115.31 116.18 1k2h h LEU 36 Ca 0.37 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1k2h h LEU 36 Cb -0.14 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1k2h h LEU 36 CO -0.08 0.34 -0.45 0.17 0.09 0.00 0.00 178.44 178.51 1k2h h LEU 37 N -0.92 0.65 -1.85 1.67 -0.00 -1.59 -2.45 115.31 110.82 1k2h h LEU 37 Ca -0.03 -0.30 0.03 0.00 -0.00 0.00 0.00 57.88 57.58 1k2h h LEU 37 Cb 0.49 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1k2h h LEU 37 CO 0.04 1.00 0.16 -0.61 -0.00 0.00 0.00 178.44 179.03 1k2h h GLN 38 N 0.48 0.20 -0.05 0.17 4.15 -1.47 0.44 115.11 119.04 1k2h h GLN 38 Ca 0.03 -0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.25 1k2h h GLN 38 Cb 0.97 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.63 1k2h h GLN 38 CO 0.09 0.13 -0.72 1.15 -1.93 0.00 0.00 178.83 177.55 1k2h h THR 39 N 0.20 1.35 -0.10 2.39 2.02 -1.44 -2.65 112.91 114.69 1k2h h THR 39 Ca 0.10 -2.05 -0.09 0.00 0.77 0.00 0.00 66.41 65.14 1k2h h THR 39 Cb 0.13 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1k2h h THR 39 CO -0.02 0.62 -0.36 -0.08 0.37 0.00 0.00 175.52 176.05 1k2h h GLU 40 N 0.17 0.20 -1.03 6.66 4.22 -0.84 -2.68 114.58 121.28 1k2h h GLU 40 Ca -0.08 -0.08 -0.53 0.00 0.08 0.00 0.00 59.36 58.75 1k2h h GLU 40 Cb 1.39 -0.01 -0.28 0.00 0.50 0.00 0.00 28.75 30.36 1k2h h GLU 40 CO 0.14 0.53 0.68 1.28 -2.18 0.00 0.00 179.01 179.47 1k2h n LEU 41 N -4.08 6.85 -0.38 1.64 4.77 0.15 -4.60 117.00 121.34 1k2h n LEU 41 Ca -0.01 -3.70 -0.02 0.00 -0.03 0.00 0.00 56.01 52.25 1k2h n LEU 41 Cb 0.43 -0.88 0.11 0.00 -2.33 0.00 0.00 43.42 40.75 1k2h n LEU 41 CO 0.41 1.16 1.30 0.28 -1.33 0.00 0.00 177.39 179.21 1k2h h SER 42 N 1.29 1.15 0.10 -1.43 0.02 -1.11 -1.80 113.55 111.78 1k2h h SER 42 Ca 0.58 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.46 1k2h h SER 42 Cb 2.01 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 64.26 1k2h h SER 42 CO 1.19 0.83 -0.14 0.28 -1.14 0.00 0.00 176.83 177.85 1k2h h SER 43 N 1.36 0.10 -0.81 3.07 0.02 -1.87 -0.92 113.55 114.51 1k2h h SER 43 Ca 0.37 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1k2h h SER 43 Cb -0.16 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 1k2h h SER 43 CO -0.08 0.26 0.53 -0.26 -1.14 0.00 0.00 176.83 176.14 1k2h h PHE 44 N 0.10 1.02 0.00 3.45 -1.00 -1.68 0.65 116.94 119.48 1k2h h PHE 44 Ca 0.02 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1k2h h PHE 44 Cb 0.32 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1k2h h PHE 44 CO 0.00 0.64 0.00 1.28 -1.61 0.00 0.00 178.31 178.63 1k2h n LEU 45 N -4.41 0.00 -0.37 1.54 4.77 -0.35 -2.57 117.00 115.62 1k2h n LEU 45 Ca 0.09 0.15 0.02 0.00 -0.03 0.00 0.00 56.01 56.24 1k2h n LEU 45 Cb 0.03 -0.15 0.17 0.00 -2.33 0.00 0.00 43.42 41.13 1k2h n LEU 45 CO 0.36 -0.13 1.26 0.44 -1.33 0.00 0.00 177.39 178.00 1k2h h ASP 46 N 0.00 1.04 -2.82 -1.43 3.32 0.28 -3.36 116.42 113.45 1k2h h ASP 46 Ca 0.00 0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.50 1k2h h ASP 46 Cb 0.02 -0.22 -0.40 0.00 0.22 0.00 0.00 39.33 38.96 1k2h h ASP 46 CO 0.00 0.67 -0.80 0.54 -1.72 0.00 0.00 179.24 177.94 1k2h s VAL 47 N -6.05 0.22 -0.44 -1.35 0.11 -1.06 -4.66 120.40 107.17 1k2h s VAL 47 Ca -0.13 -1.28 -0.28 0.00 -2.93 0.00 0.00 61.98 57.37 1k2h s VAL 47 Cb 0.20 -1.18 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 1k2h s VAL 47 CO 0.81 -0.82 1.82 -1.10 -3.33 0.00 0.00 175.10 172.48 1k2h s GLN 48 N 1.58 3.06 0.00 1.54 -0.21 -1.26 -4.39 119.66 119.98 1k2h s GLN 48 Ca 0.13 1.12 0.00 0.00 0.02 0.00 0.00 55.36 56.62 1k2h s GLN 48 Cb -0.19 -4.27 0.00 0.00 1.00 0.00 0.00 33.01 29.55 1k2h s GLN 48 CO -0.20 -2.19 0.00 1.63 -2.12 0.00 0.00 175.29 172.41 1k2h n LYS 49 N 8.68 0.00 -3.40 2.91 4.76 1.18 -4.70 118.16 127.60 1k2h n LYS 49 Ca 0.22 0.49 -0.44 0.00 -2.87 0.00 0.00 58.31 55.70 1k2h n LYS 49 Cb 0.49 -0.98 -0.06 0.00 -1.84 0.00 0.00 35.03 32.63 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 -2.95 6.02 0.43 4.39 1.01 -1.11 -4.90 116.67 119.56 1k2h s ASP 50 Ca 0.00 -1.79 0.28 0.00 0.71 0.00 0.00 52.55 51.76 1k2h s ASP 50 Cb 0.00 -2.14 0.96 0.00 1.01 0.00 0.00 42.92 42.75 1k2h s ASP 50 CO 0.00 -0.78 1.81 0.00 0.21 0.00 0.00 175.17 176.41 1k2h h ALA 51 N 8.73 1.00 -0.37 5.23 0.00 -1.84 -3.01 119.26 129.00 1k2h h ALA 51 Ca -0.27 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 1k2h h ALA 51 Cb 1.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1k2h h ALA 51 CO 0.96 0.00 -0.42 -0.44 0.00 0.00 0.00 179.25 179.35 1k2h h ASP 52 N 0.00 1.00 0.34 0.00 3.32 -1.98 -0.07 116.42 119.03 1k2h h ASP 52 Ca 0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1k2h h ASP 52 Cb 0.64 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1k2h h ASP 52 CO 0.00 1.28 -0.16 0.00 -1.72 0.00 0.00 179.24 178.64 1k2h h ALA 53 N 0.76 -0.45 -0.72 3.45 0.00 -1.90 -2.29 119.26 118.11 1k2h h ALA 53 Ca 0.05 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1k2h h ALA 53 Cb 1.02 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1k2h h ALA 53 CO 0.10 -0.60 0.48 0.28 0.00 0.00 0.00 179.25 179.51 1k2h h VAL 54 N -0.76 0.87 -1.01 0.00 2.07 -1.59 0.08 116.25 115.92 1k2h h VAL 54 Ca -0.05 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1k2h h VAL 54 Cb 0.51 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1k2h h VAL 54 CO 0.08 0.09 0.67 -0.78 0.02 0.00 0.00 177.57 177.65 1k2h h ASP 55 N 0.51 1.16 -0.70 0.57 1.82 -0.60 -1.96 116.42 117.22 1k2h h ASP 55 Ca 0.34 -0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.88 1k2h h ASP 55 Cb 0.62 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 40.31 1k2h h ASP 55 CO -0.11 0.84 0.16 0.11 -1.61 0.00 0.00 179.24 178.62 1k2h h LYS 56 N 1.37 1.14 -0.88 0.28 1.57 -0.43 -2.50 116.57 117.12 1k2h h LYS 56 Ca 0.37 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1k2h h LYS 56 Cb -0.16 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 31.97 1k2h h LYS 56 CO -0.08 1.01 0.58 0.82 -0.57 0.00 0.00 179.45 181.21 1k2h h ILE 57 N 1.07 1.22 0.00 1.86 5.03 -1.16 0.32 117.51 125.85 1k2h h ILE 57 Ca 0.22 -0.41 -0.02 0.00 -0.12 0.00 0.00 64.86 64.53 1k2h h ILE 57 Cb 0.39 -0.07 -0.00 0.00 -3.03 0.00 0.00 36.82 34.11 1k2h h ILE 57 CO 0.00 0.22 -0.08 0.24 -0.68 0.00 0.00 178.15 177.85 1k2h h MET 58 N 1.19 0.00 -0.74 2.37 2.86 -0.98 -2.49 114.93 117.14 1k2h h MET 58 Ca 0.32 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.90 1k2h h MET 58 Cb -0.14 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 1k2h h MET 58 CO -0.07 0.08 0.23 -0.22 1.06 0.00 0.00 176.91 178.00 1k2h h LYS 59 N 0.00 1.16 -0.09 1.72 3.64 -0.53 -1.09 116.57 121.38 1k2h h LYS 59 Ca -0.00 -0.25 -0.24 0.00 -1.27 0.00 0.00 60.65 58.89 1k2h h LYS 59 Cb 0.20 -0.17 0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1k2h h LYS 59 CO 0.01 0.98 -0.89 0.93 -2.27 0.00 0.00 179.45 178.21 1k2h h GLU 60 N 1.11 0.76 0.00 1.90 4.39 -1.43 -1.41 114.58 119.90 1k2h h GLU 60 Ca 0.24 -0.70 -0.05 0.00 0.34 0.00 0.00 59.36 59.19 1k2h h GLU 60 Cb 0.31 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1k2h h GLU 60 CO -0.01 1.29 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.81 1k2h h LEU 61 N 0.47 0.00 0.07 1.33 3.38 -1.43 -1.47 115.31 117.66 1k2h h LEU 61 Ca -0.09 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.52 1k2h h LEU 61 Cb 1.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.25 1k2h h LEU 61 CO 0.18 0.25 -2.09 -0.67 0.09 0.00 0.00 178.44 176.19 1k2h n ASP 62 N -3.70 1.76 0.14 -0.43 -0.08 -0.42 -1.51 116.55 112.31 1k2h n ASP 62 Ca -0.01 0.14 -0.01 0.00 -1.51 0.00 0.00 54.79 53.41 1k2h n ASP 62 Cb 0.36 -0.51 0.24 0.00 2.34 0.00 0.00 41.12 43.54 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 0.04 0.07 -0.53 -0.67 -0.00 -1.23 -3.37 114.58 108.89 1k2h h GLU 63 Ca -0.45 -0.04 -0.31 0.00 -0.00 0.00 0.00 59.36 58.56 1k2h h GLU 63 Cb 2.02 0.00 -0.21 0.00 -0.00 0.00 0.00 28.75 30.56 1k2h h GLU 63 CO 0.04 0.55 -0.65 -1.71 -0.00 0.00 0.00 179.01 177.25 1k2h n ASN 64 N -3.95 -1.93 0.30 3.06 5.15 -0.56 -4.96 115.26 112.37 1k2h n ASN 64 Ca -0.02 -3.25 0.17 0.00 -0.60 0.00 0.00 54.58 50.89 1k2h n ASN 64 Cb 0.52 1.21 0.94 0.00 -0.53 0.00 0.00 39.78 41.92 1k2h n ASN 64 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1k2h h GLY 65 N 3.72 0.00 -0.81 8.20 0.00 -1.38 0.45 103.07 113.25 1k2h h GLY 65 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1k2h h GLY 65 CO 0.33 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.21 1k2h n ASP 66 N -3.41 1.56 -3.69 0.19 -0.08 -1.26 0.30 116.55 110.16 1k2h n ASP 66 Ca -0.02 -1.76 0.00 0.00 -1.51 0.00 0.00 54.79 51.50 1k2h n ASP 66 Cb 0.16 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.49 1k2h n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k2h n GLY 67 N 1.07 -1.93 3.29 0.27 0.00 0.15 -4.69 105.19 103.35 1k2h n GLY 67 Ca 0.15 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1k2h n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k2h s GLU 68 N 0.00 0.85 0.04 1.61 2.56 -1.26 -3.16 118.70 119.34 1k2h s GLU 68 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.97 54.56 1k2h s GLU 68 Cb 0.00 0.37 -0.03 0.00 2.00 0.00 0.00 34.13 36.47 1k2h s GLU 68 CO 0.00 -0.28 -0.03 0.14 -0.56 0.00 0.00 175.26 174.53 1k2h s VAL 69 N -2.38 0.18 0.00 3.70 -7.23 -0.97 -4.78 120.40 108.91 1k2h s VAL 69 Ca -0.06 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1k2h s VAL 69 Cb -0.01 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.86 1k2h s VAL 69 CO -0.02 -0.82 0.00 -0.90 -0.31 0.00 0.00 175.10 173.05 1k2h n ASP 70 N 0.64 1.28 -0.15 4.85 5.75 -1.26 -1.13 116.55 126.53 1k2h n ASP 70 Ca -0.18 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.53 1k2h n ASP 70 Cb 0.59 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.69 1k2h n ASP 70 CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 1k2h h PHE 71 N 0.00 0.59 0.00 2.11 -5.15 -1.95 0.18 116.94 112.71 1k2h h PHE 71 Ca 0.00 0.01 -0.08 0.00 -0.20 0.00 0.00 57.97 57.70 1k2h h PHE 71 Cb 0.00 -0.20 -0.01 0.00 0.22 0.00 0.00 35.95 35.96 1k2h h PHE 71 CO 0.00 0.37 -0.38 0.37 -2.00 0.00 0.00 178.31 176.67 1k2h h GLN 72 N 0.63 0.00 0.17 6.09 4.15 -1.98 -1.17 115.11 123.01 1k2h h GLN 72 Ca 0.17 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.33 1k2h h GLN 72 Cb -0.07 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.65 1k2h h GLN 72 CO -0.04 0.38 -1.15 0.93 -1.93 0.00 0.00 178.83 177.03 1k2h h GLU 73 N 0.00 0.47 -0.32 1.69 4.39 -1.80 -1.70 114.58 117.30 1k2h h GLU 73 Ca -0.00 -0.74 -0.15 0.00 0.34 0.00 0.00 59.36 58.81 1k2h h GLU 73 Cb 0.78 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1k2h h GLU 73 CO 0.05 1.34 -0.39 0.35 -1.16 0.00 0.00 179.01 179.20 1k2h h PHE 74 N -0.03 0.92 -0.10 4.33 3.04 -0.58 -2.15 116.94 122.38 1k2h h PHE 74 Ca -0.19 -0.27 -0.18 0.00 3.98 0.00 0.00 57.97 61.31 1k2h h PHE 74 Cb 1.88 -0.20 0.01 0.00 2.56 0.00 0.00 35.95 40.21 1k2h h PHE 74 CO 0.15 1.03 -0.63 0.28 -2.02 0.00 0.00 178.31 177.13 1k2h h VAL 75 N 0.63 1.34 -0.34 1.41 2.07 -1.29 -2.11 116.25 117.97 1k2h h VAL 75 Ca 0.05 -1.92 -0.16 0.00 0.82 0.00 0.00 66.70 65.50 1k2h h VAL 75 Cb 0.94 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1k2h h VAL 75 CO 0.09 0.59 -0.40 0.58 0.02 0.00 0.00 177.57 178.45 1k2h h VAL 76 N 0.24 1.28 -0.07 2.57 2.07 -1.32 -2.05 116.25 118.97 1k2h h VAL 76 Ca -0.05 -1.58 -0.17 0.00 0.82 0.00 0.00 66.70 65.73 1k2h h VAL 76 Cb 1.28 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1k2h h VAL 76 CO 0.13 0.52 -0.68 -0.07 0.02 0.00 0.00 177.57 177.49 1k2h h LEU 77 N 0.65 0.38 -0.25 2.57 3.38 -1.47 -2.21 115.31 118.37 1k2h h LEU 77 Ca 0.05 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.58 1k2h h LEU 77 Cb 0.99 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1k2h h LEU 77 CO 0.10 0.95 -0.60 0.58 0.09 0.00 0.00 178.44 179.55 1k2h h VAL 78 N 0.23 1.28 -0.40 1.22 2.07 -1.35 -1.61 116.25 117.69 1k2h h VAL 78 Ca -0.02 -1.79 -0.09 0.00 0.82 0.00 0.00 66.70 65.62 1k2h h VAL 78 Cb 1.23 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1k2h h VAL 78 CO 0.11 0.58 -0.13 0.00 0.02 0.00 0.00 177.57 178.15 1k2h h ALA 79 N 0.64 1.02 -0.92 1.67 0.00 -1.38 -2.20 119.26 118.08 1k2h h ALA 79 Ca -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1k2h h ALA 79 Cb 1.22 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1k2h h ALA 79 CO 0.13 0.59 0.52 0.00 0.00 0.00 0.00 179.25 180.49 1k2h h ALA 80 N 1.20 1.18 -0.89 0.00 0.00 -1.22 -1.56 119.26 117.97 1k2h h ALA 80 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1k2h h ALA 80 Cb 0.60 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1k2h h ALA 80 CO 0.04 0.67 0.48 1.25 0.00 0.00 0.00 179.25 181.68 1k2h h LEU 81 N 1.28 1.12 -1.50 0.00 6.46 -0.70 -1.34 115.31 120.63 1k2h h LEU 81 Ca 0.33 -0.11 0.23 0.00 -0.12 0.00 0.00 57.88 58.21 1k2h h LEU 81 Cb -0.00 -0.29 -0.07 0.00 -0.73 0.00 0.00 40.66 39.57 1k2h h LEU 81 CO -0.06 0.91 0.63 0.74 -0.62 0.00 0.00 178.44 180.04 1k2h h THR 82 N 1.25 0.62 -0.82 1.05 2.02 -0.79 0.62 112.91 116.86 1k2h h THR 82 Ca 0.31 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.37 1k2h h THR 82 Cb 0.05 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 1k2h h THR 82 CO -0.05 0.07 0.53 0.58 0.37 0.00 0.00 175.52 177.02 1k2h h VAL 83 N 0.37 1.21 0.00 3.16 2.07 -1.12 0.82 116.25 122.76 1k2h h VAL 83 Ca 0.51 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1k2h h VAL 83 Cb 1.33 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1k2h h VAL 83 CO -0.20 0.21 -0.03 0.00 0.02 0.00 0.00 177.57 177.57 1k2h h ALA 84 N 1.29 1.01 -1.81 1.67 0.00 0.21 -3.16 119.26 118.47 1k2h h ALA 84 Ca 0.30 -0.03 -0.46 0.00 0.00 0.00 0.00 54.91 54.72 1k2h h ALA 84 Cb -0.11 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 17.29 1k2h h ALA 84 CO -0.06 0.04 -1.15 0.00 0.00 0.00 0.00 179.25 178.08 1k2h n ASN 86 N 0.26 0.15 -3.72 0.00 4.13 0.27 -4.71 115.26 111.64 1k2h n ASN 86 Ca 0.23 0.43 -0.27 0.00 1.68 0.00 0.00 54.58 56.65 1k2h n ASN 86 Cb 0.67 -0.41 -0.03 0.00 -1.54 0.00 0.00 39.78 38.47 1k2h n ASN 86 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1k2h n ASN 87 N -1.63 -2.36 -0.03 6.41 0.23 -1.26 -4.79 115.26 111.82 1k2h n ASN 87 Ca -0.00 -0.59 -0.07 0.00 -0.53 0.00 0.00 54.58 53.39 1k2h n ASN 87 Cb 0.22 -2.02 -0.02 0.00 -2.08 0.00 0.00 39.78 35.88 1k2h n ASN 87 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1k2h n PHE 88 N -3.72 0.00 0.15 -2.53 -0.00 -1.26 -4.71 117.46 105.40 1k2h n PHE 88 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1k2h n PHE 88 Cb 0.49 -0.31 0.25 0.00 -0.00 0.00 0.00 39.48 39.91 1k2h n PHE 88 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.76 177.11 1k2h h PHE 89 N -0.53 0.02 -4.78 -5.13 3.04 -1.99 -3.47 116.94 104.10 1k2h h PHE 89 Ca -0.07 -0.01 -0.25 0.00 3.98 0.00 0.00 57.97 61.63 1k2h h PHE 89 Cb 0.68 -0.01 0.13 0.00 2.56 0.00 0.00 35.95 39.31 1k2h h PHE 89 CO -0.19 0.51 -0.59 0.91 -2.02 0.00 0.00 178.31 176.93 1k2h n TRP 90 N -3.95 -1.68 0.28 0.41 7.02 -1.26 -4.87 117.44 113.40 1k2h n TRP 90 Ca -0.02 0.71 0.17 0.00 -1.02 0.00 0.00 57.50 57.34 1k2h n TRP 90 Cb 0.52 -4.31 0.93 0.00 -2.42 0.00 0.00 31.31 26.03 1k2h n TRP 90 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1k2h h GLU 91 N -1.40 0.00 0.00 -0.99 4.39 -1.92 0.22 114.58 114.88 1k2h h GLU 91 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1k2h h GLU 91 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1k2h h GLU 91 CO 0.38 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 178.50 1k2h n ASN 92 N -3.72 0.44 0.00 1.42 6.94 -1.26 -5.12 115.26 113.96 1k2h n ASN 92 Ca -0.02 0.61 0.00 0.00 -0.02 0.00 0.00 54.58 55.15 1k2h n ASN 92 Cb 0.14 -0.71 0.00 0.00 -2.36 0.00 0.00 39.78 36.85 1k2h n ASN 92 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69