#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 5.59 0.24 1.61 0.01 -1.26 -4.83 113.70 115.06 1k2h s SER 2 Ca 0.00 0.15 -0.07 0.00 1.31 0.00 0.00 55.95 57.34 1k2h s SER 2 Cb 0.00 -1.23 0.24 0.00 0.21 0.00 0.00 66.02 65.24 1k2h s SER 2 CO 0.00 -0.89 1.92 -0.33 0.41 0.00 0.00 173.24 174.34 1k2h h GLU 3 N 0.26 1.28 0.02 12.44 5.08 -2.05 0.17 114.58 131.78 1k2h h GLU 3 Ca -0.44 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1k2h h GLU 3 Cb 1.27 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1k2h h GLU 3 CO 0.55 0.86 -0.01 1.25 -1.00 0.00 0.00 179.01 180.66 1k2h h LEU 4 N 1.32 -0.02 -1.00 1.33 5.85 -2.00 -3.08 115.31 117.71 1k2h h LEU 4 Ca 0.35 -0.58 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1k2h h LEU 4 Cb -0.14 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1k2h h LEU 4 CO -0.08 0.76 0.57 -0.08 -0.34 0.00 0.00 178.44 179.27 1k2h h GLU 5 N -0.98 1.25 -0.92 1.25 4.81 -1.95 -2.33 114.58 115.72 1k2h h GLU 5 Ca -0.00 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1k2h h GLU 5 Cb 0.59 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1k2h h GLU 5 CO 0.00 0.87 0.57 1.15 -0.73 0.00 0.00 179.01 180.87 1k2h h THR 6 N 1.28 1.25 -0.12 0.32 2.02 -0.78 -2.67 112.91 114.21 1k2h h THR 6 Ca 0.34 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1k2h h THR 6 Cb -0.07 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.27 1k2h h THR 6 CO -0.06 0.26 0.07 0.00 0.37 0.00 0.00 175.52 176.15 1k2h h ALA 7 N 1.31 0.15 -0.91 6.16 0.00 -1.32 -2.66 119.26 121.98 1k2h h ALA 7 Ca 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1k2h h ALA 7 Cb -0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1k2h h ALA 7 CO -0.06 -0.35 0.56 0.52 0.00 0.00 0.00 179.25 179.92 1k2h h MET 8 N 0.13 1.23 -0.97 0.00 2.07 -1.38 -1.74 114.93 114.26 1k2h h MET 8 Ca 0.04 -0.10 0.01 0.00 -2.07 0.00 0.00 59.70 57.58 1k2h h MET 8 Cb 0.02 -0.26 -0.05 0.00 -1.87 0.00 0.00 31.60 29.44 1k2h h MET 8 CO -0.01 0.85 0.64 0.93 1.07 0.00 0.00 176.91 180.39 1k2h h GLU 9 N 1.25 1.27 -0.56 1.72 5.08 -1.26 -1.35 114.58 120.73 1k2h h GLU 9 Ca 0.33 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1k2h h GLU 9 Cb -0.08 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 28.86 1k2h h GLU 9 CO -0.06 0.84 0.13 1.15 -1.00 0.00 0.00 179.01 180.06 1k2h h THR 10 N 1.30 1.23 -0.63 1.13 2.02 -1.00 -2.88 112.91 114.08 1k2h h THR 10 Ca 0.36 -0.84 0.05 0.00 0.77 0.00 0.00 66.41 66.76 1k2h h THR 10 Cb -0.13 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 1k2h h THR 10 CO -0.08 0.31 0.35 -0.07 0.37 0.00 0.00 175.52 176.40 1k2h h LEU 11 N 0.83 0.52 -0.78 2.58 4.07 -0.50 -1.80 115.31 120.22 1k2h h LEU 11 Ca 0.18 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 1k2h h LEU 11 Cb 0.31 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 1k2h h LEU 11 CO -0.00 0.34 0.44 0.40 -1.08 0.00 0.00 178.44 178.54 1k2h h ILE 12 N 0.66 1.23 -0.85 1.22 2.04 -1.29 -2.71 117.51 117.81 1k2h h ILE 12 Ca 0.28 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1k2h h ILE 12 Cb 0.16 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1k2h h ILE 12 CO -0.17 0.26 0.51 -1.13 0.00 0.00 0.00 178.15 177.62 1k2h h ASN 13 N 1.09 1.03 -0.29 1.72 -1.24 -1.29 -2.80 115.58 113.79 1k2h h ASN 13 Ca 0.28 -0.07 -0.18 0.00 0.71 0.00 0.00 56.30 57.04 1k2h h ASN 13 Cb 0.02 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.81 1k2h h ASN 13 CO -0.05 0.80 -0.52 0.58 -1.29 0.00 0.00 177.43 176.96 1k2h h VAL 14 N 1.18 1.28 -0.73 2.57 2.07 -1.15 -2.91 116.25 118.55 1k2h h VAL 14 Ca 0.31 -1.70 0.04 0.00 0.82 0.00 0.00 66.70 66.17 1k2h h VAL 14 Cb -0.04 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1k2h h VAL 14 CO -0.06 0.56 0.48 -0.26 0.02 0.00 0.00 177.57 178.31 1k2h h PHE 15 N 0.66 0.83 -0.39 1.57 0.04 -1.39 0.17 116.94 118.42 1k2h h PHE 15 Ca 0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1k2h h PHE 15 Cb 1.13 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 1k2h h PHE 15 CO 0.07 0.47 0.26 1.25 -0.60 0.00 0.00 178.31 179.76 1k2h h HIS 16 N 0.84 0.49 0.27 -0.55 2.76 -1.31 0.13 115.15 117.78 1k2h h HIS 16 Ca 0.30 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 1k2h h HIS 16 Cb 0.12 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 1k2h h HIS 16 CO -0.00 0.31 -0.15 0.00 -1.30 0.00 0.00 177.93 176.79 1k2h h ALA 17 N 1.75 -0.39 -0.27 5.26 0.00 -0.51 2.89 119.26 127.99 1k2h h ALA 17 Ca 0.14 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1k2h h ALA 17 Cb -0.06 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1k2h h ALA 17 CO -0.03 -0.73 -0.58 0.45 0.00 0.00 0.00 179.25 178.36 1k2h h HIS 18 N -0.40 1.10 0.00 0.00 3.86 -1.44 -3.03 115.15 115.24 1k2h h HIS 18 Ca -0.03 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1k2h h HIS 18 Cb 0.32 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1k2h h HIS 18 CO -0.08 1.24 -0.01 0.43 0.86 0.00 0.00 177.93 180.37 1k2h n SER 19 N -4.00 0.31 -0.08 2.45 7.64 -0.00 -3.84 113.62 116.10 1k2h n SER 19 Ca -0.05 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1k2h n SER 19 Cb 0.65 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 1.43 0.00 0.12 0.23 0.00 0.97 -2.91 105.19 105.02 1k2h n GLY 20 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1k2h n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k2h n LYS 21 N -0.32 0.08 0.00 1.61 4.81 -1.25 -4.70 118.16 118.39 1k2h n LYS 21 Ca 0.00 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1k2h n LYS 21 Cb 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1k2h n LYS 21 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1k2h n GLU 22 N -1.94 0.00 0.00 1.64 2.13 -1.15 -4.85 120.64 116.48 1k2h n GLU 22 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1k2h n GLU 22 Cb 0.17 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.58 1k2h n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k2h n GLY 23 N -1.98 0.68 3.39 8.31 0.00 -1.26 -4.69 105.19 109.64 1k2h n GLY 23 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.24 6.11 0.46 1.61 1.01 -1.26 -4.92 116.67 118.44 1k2h s ASP 24 Ca 0.00 -1.27 0.14 0.00 0.71 0.00 0.00 52.55 52.13 1k2h s ASP 24 Cb 0.00 -2.17 1.06 0.00 1.01 0.00 0.00 42.92 42.82 1k2h s ASP 24 CO 0.00 -0.61 2.03 0.11 0.21 0.00 0.00 175.17 176.91 1k2h h LYS 25 N 8.72 0.02 -6.35 8.23 1.57 -1.84 -3.43 116.57 123.49 1k2h h LYS 25 Ca -0.28 -0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.17 1k2h h LYS 25 Cb 1.11 -0.00 0.18 0.00 0.08 0.00 0.00 32.23 33.59 1k2h h LYS 25 CO 0.85 0.15 -0.61 0.66 -0.57 0.00 0.00 179.45 179.92 1k2h n TYR 26 N -4.38 -2.11 0.00 -1.35 4.01 -1.26 -4.79 117.16 107.27 1k2h n TYR 26 Ca -0.02 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1k2h n TYR 26 Cb 0.20 -1.44 0.00 0.00 -0.31 0.00 0.00 39.34 37.79 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 -2.18 0.00 -3.58 -0.72 3.00 -0.77 -4.66 118.16 109.26 1k2h n LYS 27 Ca 0.04 0.11 -0.06 0.00 -0.00 0.00 0.00 58.31 58.41 1k2h n LYS 27 Cb 0.48 -1.01 -0.02 0.00 0.00 0.00 0.00 35.03 34.47 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 -1.28 -0.19 0.69 3.14 1.98 -1.20 -4.34 118.68 117.48 1k2h s LEU 28 Ca 0.00 0.03 -0.17 0.00 -2.89 0.00 0.00 54.13 51.10 1k2h s LEU 28 Cb 0.00 1.53 -0.05 0.00 0.66 0.00 0.00 46.19 48.33 1k2h s LEU 28 CO 0.00 -0.31 0.48 -1.20 -1.89 0.00 0.00 176.35 173.43 1k2h n SER 29 N -0.04 -1.33 -0.26 3.68 7.64 -1.26 -3.06 113.62 118.99 1k2h n SER 29 Ca -0.02 0.62 -0.03 0.00 1.01 0.00 0.00 58.87 60.45 1k2h n SER 29 Cb 0.59 -1.19 0.09 0.00 -1.01 0.00 0.00 64.21 62.69 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 -0.24 0.84 -0.34 1.43 1.57 -1.33 0.27 116.57 118.77 1k2h h LYS 30 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1k2h h LYS 30 Cb 1.36 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1k2h h LYS 30 CO 0.43 0.56 0.22 -0.22 -0.57 0.00 0.00 179.45 179.87 1k2h h LYS 31 N 0.87 0.45 -0.28 3.15 1.63 0.73 -2.70 116.57 120.41 1k2h h LYS 31 Ca 0.30 -0.03 -0.17 0.00 -0.85 0.00 0.00 60.65 59.90 1k2h h LYS 31 Cb 0.06 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1k2h h LYS 31 CO -0.13 0.30 -0.50 1.49 -3.45 0.00 0.00 179.45 177.17 1k2h h GLU 32 N 0.46 0.83 -0.90 1.90 4.57 -1.73 -3.15 114.58 116.55 1k2h h GLU 32 Ca 0.12 -0.52 0.21 0.00 -1.18 0.00 0.00 59.36 57.99 1k2h h GLU 32 Cb -0.04 0.06 -0.17 0.00 -0.16 0.00 0.00 28.75 28.44 1k2h h GLU 32 CO -0.03 1.15 -0.11 1.25 -1.18 0.00 0.00 179.01 180.10 1k2h h LEU 33 N 0.60 -0.64 -0.50 1.64 7.12 -0.16 0.17 115.31 123.54 1k2h h LEU 33 Ca 0.02 0.26 -0.16 0.00 0.13 0.00 0.00 57.88 58.12 1k2h h LEU 33 Cb 1.10 0.50 -0.01 0.00 -0.53 0.00 0.00 40.66 41.72 1k2h h LEU 33 CO 0.11 -0.29 -0.55 0.50 -0.13 0.00 0.00 178.44 178.08 1k2h h LYS 34 N 0.02 0.59 -0.83 1.25 1.63 -1.47 -3.01 116.57 114.75 1k2h h LYS 34 Ca 0.48 -0.37 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1k2h h LYS 34 Cb 0.84 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.47 1k2h h LYS 34 CO -0.88 0.98 0.39 -0.44 -3.45 0.00 0.00 179.45 176.06 1k2h h ASP 35 N 0.45 1.10 0.23 4.20 3.32 -0.66 -1.82 116.42 123.25 1k2h h ASP 35 Ca 0.01 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1k2h h ASP 35 Cb 1.10 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1k2h h ASP 35 CO 0.11 0.93 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.38 1k2h h LEU 36 N 1.19 -0.26 -0.30 1.55 3.38 -1.37 -3.20 115.31 116.30 1k2h h LEU 36 Ca 0.29 -0.26 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1k2h h LEU 36 Cb 0.13 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1k2h h LEU 36 CO -0.03 0.19 -0.63 -0.07 0.09 0.00 0.00 178.44 177.99 1k2h h LEU 37 N -0.79 0.88 -2.15 1.67 3.38 -1.56 -2.46 115.31 114.29 1k2h h LEU 37 Ca -0.03 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.44 1k2h h LEU 37 Cb 0.51 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1k2h h LEU 37 CO 0.05 1.29 0.02 -0.61 0.09 0.00 0.00 178.44 179.29 1k2h h GLN 38 N 0.57 0.00 0.13 1.13 4.15 -1.46 0.77 115.11 120.39 1k2h h GLN 38 Ca -0.01 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.21 1k2h h GLN 38 Cb 1.23 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.94 1k2h h GLN 38 CO 0.13 0.00 -0.86 1.15 -1.93 0.00 0.00 178.83 177.32 1k2h h THR 39 N 0.00 1.47 -0.19 2.39 2.02 -1.51 -2.95 112.91 114.14 1k2h h THR 39 Ca 0.01 -2.47 -0.13 0.00 0.77 0.00 0.00 66.41 64.59 1k2h h THR 39 Cb 0.06 3.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.52 1k2h h THR 39 CO -0.00 0.71 -0.46 -0.08 0.37 0.00 0.00 175.52 176.06 1k2h h GLU 40 N -0.24 0.47 -1.09 6.66 4.81 -0.88 -2.78 114.58 121.52 1k2h h GLU 40 Ca -0.14 -0.25 -0.34 0.00 -0.13 0.00 0.00 59.36 58.50 1k2h h GLU 40 Cb 1.65 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 30.86 1k2h h GLU 40 CO 0.16 0.83 0.43 1.28 -0.73 0.00 0.00 179.01 180.98 1k2h n LEU 41 N -4.00 5.63 -0.38 1.64 4.77 0.26 -4.49 117.00 120.43 1k2h n LEU 41 Ca -0.02 -2.96 -0.01 0.00 -0.03 0.00 0.00 56.01 52.99 1k2h n LEU 41 Cb 0.54 -0.78 0.12 0.00 -2.33 0.00 0.00 43.42 40.96 1k2h n LEU 41 CO 0.45 0.94 1.30 0.28 -1.33 0.00 0.00 177.39 179.02 1k2h h SER 42 N 0.84 1.14 -0.25 -1.43 0.02 -1.31 -1.40 113.55 111.17 1k2h h SER 42 Ca 0.38 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1k2h h SER 42 Cb 1.84 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 64.09 1k2h h SER 42 CO 0.74 0.82 0.15 0.77 -1.14 0.00 0.00 176.83 178.17 1k2h h SER 43 N 1.35 0.31 -0.59 3.07 4.64 -1.87 0.36 113.55 120.82 1k2h h SER 43 Ca 0.38 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.61 1k2h h SER 43 Cb -0.12 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 1k2h h SER 43 CO -0.09 0.25 0.08 -0.26 -0.87 0.00 0.00 176.83 175.94 1k2h h PHE 44 N 0.36 1.08 0.00 4.77 0.04 -1.59 0.25 116.94 121.86 1k2h h PHE 44 Ca 0.10 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1k2h h PHE 44 Cb 0.00 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 37.85 1k2h h PHE 44 CO 0.00 0.93 0.00 1.28 -0.60 0.00 0.00 178.31 179.92 1k2h n LEU 45 N -4.21 0.00 -0.23 1.54 7.99 0.06 -2.35 117.00 119.80 1k2h n LEU 45 Ca 0.04 0.50 0.26 0.00 -0.01 0.00 0.00 56.01 56.80 1k2h n LEU 45 Cb 0.29 -0.50 0.63 0.00 -0.11 0.00 0.00 43.42 43.74 1k2h n LEU 45 CO 0.43 -0.35 1.25 -0.78 -1.51 0.00 0.00 177.39 176.43 1k2h h ASP 46 N 0.00 0.19 -0.82 -1.43 1.82 0.10 -3.35 116.42 112.93 1k2h h ASP 46 Ca 0.00 0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.68 1k2h h ASP 46 Cb 0.15 -0.01 -0.19 0.00 0.68 0.00 0.00 39.33 39.96 1k2h h ASP 46 CO 0.00 0.06 -0.35 0.54 -1.61 0.00 0.00 179.24 177.88 1k2h s VAL 47 N -5.19 -0.82 -0.00 2.25 0.11 -0.99 -5.13 120.40 110.64 1k2h s VAL 47 Ca -0.07 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 1k2h s VAL 47 Cb 0.23 -0.25 -0.06 0.00 -1.53 0.00 0.00 36.38 34.77 1k2h s VAL 47 CO 0.78 0.00 1.45 0.00 -3.33 0.00 0.00 175.10 174.00 1k2h s GLN 48 N 2.18 4.26 -0.00 1.54 -2.07 -1.26 -4.66 119.66 119.65 1k2h s GLN 48 Ca 0.15 2.02 -0.00 0.00 -1.82 0.00 0.00 55.36 55.71 1k2h s GLN 48 Cb -0.04 -3.61 -0.00 0.00 -1.09 0.00 0.00 33.01 28.27 1k2h s GLN 48 CO -0.14 -0.62 -0.00 0.87 -1.32 0.00 0.00 175.29 174.08 1k2h h LYS 49 N 8.02 0.00 -4.45 9.60 1.79 0.41 -3.43 116.57 128.51 1k2h h LYS 49 Ca -0.38 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.36 1k2h h LYS 49 Cb 1.18 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.61 1k2h h LYS 49 CO 0.91 0.00 -0.14 -0.51 -1.08 0.00 0.00 179.45 178.63 1k2h s ASP 50 N -3.11 6.18 0.19 0.86 1.01 -0.41 -4.88 116.67 116.51 1k2h s ASP 50 Ca -0.00 -1.39 0.24 0.00 0.71 0.00 0.00 52.55 52.11 1k2h s ASP 50 Cb 0.00 -2.23 0.91 0.00 1.01 0.00 0.00 42.92 42.60 1k2h s ASP 50 CO 0.00 -0.84 1.73 0.00 0.21 0.00 0.00 175.17 176.27 1k2h n ALA 51 N 5.62 1.97 -0.11 5.23 0.00 -1.26 -2.79 120.51 129.17 1k2h n ALA 51 Ca -0.11 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1k2h n ALA 51 Cb 0.43 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 1k2h n ALA 51 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1k2h h ASP 52 N 0.00 0.99 0.38 0.00 1.82 -1.95 -0.09 116.42 117.57 1k2h h ASP 52 Ca 0.00 -0.48 -0.02 0.00 -0.39 0.00 0.00 57.03 56.14 1k2h h ASP 52 Cb 0.51 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1k2h h ASP 52 CO 0.00 1.28 -0.18 0.00 -1.61 0.00 0.00 179.24 178.73 1k2h h ALA 53 N 0.76 -0.51 -0.65 -0.78 0.00 -1.86 -2.29 119.26 113.93 1k2h h ALA 53 Ca 0.05 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1k2h h ALA 53 Cb 1.03 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1k2h h ALA 53 CO 0.10 -0.60 0.43 0.28 0.00 0.00 0.00 179.25 179.46 1k2h h VAL 54 N -0.88 0.97 -1.00 0.00 2.07 -1.61 -0.33 116.25 115.48 1k2h h VAL 54 Ca -0.05 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1k2h h VAL 54 Cb 0.54 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1k2h h VAL 54 CO 0.09 0.11 0.66 -0.78 0.02 0.00 0.00 177.57 177.66 1k2h h ASP 55 N 0.59 1.13 -0.91 0.57 1.82 -0.82 -1.67 116.42 117.14 1k2h h ASP 55 Ca 0.29 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1k2h h ASP 55 Cb 0.37 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 40.05 1k2h h ASP 55 CO -0.09 0.81 0.55 0.50 -1.61 0.00 0.00 179.24 179.40 1k2h h LYS 56 N 1.34 1.23 -0.88 0.28 3.64 -0.47 -2.20 116.57 119.50 1k2h h LYS 56 Ca 0.37 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1k2h h LYS 56 Cb -0.13 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 31.39 1k2h h LYS 56 CO -0.09 0.86 0.55 0.82 -2.27 0.00 0.00 179.45 179.32 1k2h h ILE 57 N 1.25 1.24 -0.54 2.00 5.03 -1.13 -1.81 117.51 123.55 1k2h h ILE 57 Ca 0.33 -0.49 0.00 0.00 -0.12 0.00 0.00 64.86 64.59 1k2h h ILE 57 Cb -0.06 -0.02 -0.03 0.00 -3.03 0.00 0.00 36.82 33.69 1k2h h ILE 57 CO -0.06 0.24 0.35 0.24 -0.68 0.00 0.00 178.15 178.24 1k2h h MET 58 N 1.20 0.71 -0.79 2.37 2.86 -0.95 -2.65 114.93 117.67 1k2h h MET 58 Ca 0.32 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.88 1k2h h MET 58 Cb -0.08 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.38 1k2h h MET 58 CO -0.06 0.47 0.37 0.87 1.06 0.00 0.00 176.91 179.62 1k2h h LYS 59 N 0.73 1.14 -0.35 1.72 1.57 -1.11 -1.73 116.57 118.54 1k2h h LYS 59 Ca 0.20 -0.17 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 1k2h h LYS 59 Cb -0.08 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.02 1k2h h LYS 59 CO -0.04 0.89 -0.45 0.93 -0.57 0.00 0.00 179.45 180.20 1k2h h GLU 60 N 1.12 0.92 0.00 3.15 4.39 -1.43 -1.49 114.58 121.23 1k2h h GLU 60 Ca 0.27 -0.52 -0.09 0.00 0.34 0.00 0.00 59.36 59.36 1k2h h GLU 60 Cb 0.13 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1k2h h GLU 60 CO -0.03 1.17 -0.41 -0.07 -1.16 0.00 0.00 179.01 178.51 1k2h h LEU 61 N 0.73 0.00 0.04 1.33 3.38 -1.34 -2.44 115.31 117.01 1k2h h LEU 61 Ca 0.04 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.69 1k2h h LEU 61 Cb 1.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1k2h h LEU 61 CO 0.11 0.41 -1.89 0.47 0.09 0.00 0.00 178.44 177.63 1k2h n ASP 62 N -4.00 1.23 0.17 -0.43 8.00 -0.67 0.25 116.55 121.10 1k2h n ASP 62 Ca -0.02 0.29 0.03 0.00 0.71 0.00 0.00 54.79 55.81 1k2h n ASP 62 Cb 0.44 -0.23 0.31 0.00 -0.02 0.00 0.00 41.12 41.62 1k2h n ASP 62 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1k2h h GLU 63 N 0.02 0.00 -0.11 -1.24 -0.00 -1.27 -3.37 114.58 108.61 1k2h h GLU 63 Ca -0.36 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 58.76 1k2h h GLU 63 Cb 2.04 0.00 -0.18 0.00 -0.00 0.00 0.00 28.75 30.61 1k2h h GLU 63 CO 0.07 0.45 -0.45 -1.71 -0.00 0.00 0.00 179.01 177.37 1k2h n ASN 64 N -3.78 -1.61 -0.13 3.06 5.15 -0.92 -4.96 115.26 112.07 1k2h n ASN 64 Ca -0.01 -2.60 0.28 0.00 -0.60 0.00 0.00 54.58 51.64 1k2h n ASN 64 Cb 0.50 0.94 0.71 0.00 -0.53 0.00 0.00 39.78 41.41 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 2.19 0.00 0.98 8.20 0.00 -0.31 2.22 103.07 116.36 1k2h h GLY 65 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1k2h h GLY 65 CO 0.01 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.89 1k2h n ASP 66 N -3.98 0.01 -3.85 0.19 -0.08 -1.26 0.12 116.55 107.70 1k2h n ASP 66 Ca 0.17 -1.01 0.00 0.00 -1.51 0.00 0.00 54.79 52.44 1k2h n ASP 66 Cb 0.98 -0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.44 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 1.00 -2.58 3.30 0.27 0.00 0.75 -4.67 105.19 103.25 1k2h n GLY 67 Ca 0.24 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 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 0.67 0.06 1.61 2.56 -1.26 -3.07 118.70 119.26 1k2h s GLU 68 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 54.97 55.11 1k2h s GLU 68 Cb 0.00 0.31 -0.03 0.00 2.00 0.00 0.00 34.13 36.41 1k2h s GLU 68 CO 0.00 -0.17 -0.15 0.14 -0.56 0.00 0.00 175.26 174.52 1k2h s VAL 69 N -0.86 1.18 0.00 3.70 -7.23 -1.17 -4.80 120.40 111.21 1k2h s VAL 69 Ca -0.09 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1k2h s VAL 69 Cb -0.04 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.81 1k2h s VAL 69 CO 0.04 -0.08 0.00 -0.90 -0.31 0.00 0.00 175.10 173.85 1k2h n ASP 70 N 1.59 1.68 0.02 4.85 5.75 -1.26 -1.84 116.55 127.34 1k2h n ASP 70 Ca -0.19 -0.20 -0.11 0.00 -0.01 0.00 0.00 54.79 54.27 1k2h n ASP 70 Cb 0.54 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.57 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 0.20 0.07 -0.44 2.11 -0.00 -1.95 1.14 116.94 118.08 1k2h h PHE 71 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.86 1k2h h PHE 71 Cb 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 35.95 35.91 1k2h h PHE 71 CO 0.00 0.05 -0.16 0.37 -0.00 0.00 0.00 178.31 178.57 1k2h h GLN 72 N 0.08 0.85 -0.19 6.09 -0.00 -1.99 -1.61 115.11 118.34 1k2h h GLN 72 Ca 0.02 -0.32 -0.21 0.00 -0.00 0.00 0.00 58.65 58.14 1k2h h GLN 72 Cb -0.01 -0.05 0.01 0.00 0.00 0.00 0.00 27.48 27.43 1k2h h GLN 72 CO -0.00 0.95 -0.71 1.49 0.00 0.00 0.00 178.83 180.55 1k2h h GLU 73 N 0.75 0.83 -0.58 1.69 4.57 -1.86 -2.00 114.58 117.97 1k2h h GLU 73 Ca 0.11 -0.63 -0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1k2h h GLU 73 Cb 0.68 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 1k2h h GLU 73 CO 0.05 1.24 0.36 0.35 -1.18 0.00 0.00 179.01 179.83 1k2h h PHE 74 N 0.58 0.75 -0.06 0.92 3.04 0.15 -2.42 116.94 119.91 1k2h h PHE 74 Ca -0.03 0.01 -0.23 0.00 3.98 0.00 0.00 57.97 61.69 1k2h h PHE 74 Cb 1.34 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 39.61 1k2h h PHE 74 CO 0.08 0.49 -0.89 0.28 -2.02 0.00 0.00 178.31 176.25 1k2h h VAL 75 N 0.80 1.32 -0.15 1.41 2.07 -1.09 -2.44 116.25 118.16 1k2h h VAL 75 Ca 0.21 -2.20 -0.08 0.00 0.82 0.00 0.00 66.70 65.45 1k2h h VAL 75 Cb -0.05 2.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1k2h h VAL 75 CO -0.04 0.68 -0.22 0.58 0.02 0.00 0.00 177.57 178.59 1k2h h VAL 76 N 0.38 1.36 -0.30 2.57 2.07 -0.99 -1.61 116.25 119.73 1k2h h VAL 76 Ca -0.08 -1.44 -0.16 0.00 0.82 0.00 0.00 66.70 65.84 1k2h h VAL 76 Cb 1.52 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 1k2h h VAL 76 CO 0.17 0.43 -0.46 -0.07 0.02 0.00 0.00 177.57 177.65 1k2h h LEU 77 N 0.03 0.85 -0.52 2.57 -0.00 -1.56 -2.59 115.31 114.09 1k2h h LEU 77 Ca 0.02 -0.42 -0.16 0.00 -0.00 0.00 0.00 57.88 57.32 1k2h h LEU 77 Cb 0.78 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 1k2h h LEU 77 CO 0.05 1.18 -0.60 0.58 -0.00 0.00 0.00 178.44 179.65 1k2h h VAL 78 N 0.62 1.34 -0.72 1.22 2.07 -1.47 -0.63 116.25 118.69 1k2h h VAL 78 Ca 0.04 -1.90 -0.05 0.00 0.82 0.00 0.00 66.70 65.61 1k2h h VAL 78 Cb 1.03 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1k2h h VAL 78 CO 0.10 0.58 0.24 0.00 0.02 0.00 0.00 177.57 178.51 1k2h h ALA 79 N 1.00 1.07 0.00 1.67 0.00 -1.27 0.51 119.26 122.24 1k2h h ALA 79 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1k2h h ALA 79 Cb 1.14 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1k2h h ALA 79 CO 0.11 0.64 -0.11 0.00 0.00 0.00 0.00 179.25 179.88 1k2h h ALA 80 N 1.20 1.09 0.01 0.00 0.00 -1.12 -2.36 119.26 118.07 1k2h h ALA 80 Ca 0.24 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 1k2h h ALA 80 Cb 0.27 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1k2h h ALA 80 CO -0.01 0.14 -1.05 1.25 0.00 0.00 0.00 179.25 179.58 1k2h h LEU 81 N 0.00 0.91 -0.42 0.00 7.12 0.66 -3.10 115.31 120.49 1k2h h LEU 81 Ca -0.00 -0.74 -0.13 0.00 0.13 0.00 0.00 57.88 57.14 1k2h h LEU 81 Cb 0.49 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1k2h h LEU 81 CO 0.01 1.54 -0.23 0.74 -0.13 0.00 0.00 178.44 180.37 1k2h h THR 82 N 0.38 1.28 -0.86 1.05 2.02 -0.86 -2.83 112.91 113.10 1k2h h THR 82 Ca -0.13 -1.39 0.02 0.00 0.77 0.00 0.00 66.41 65.67 1k2h h THR 82 Cb 1.71 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 69.34 1k2h h THR 82 CO 0.21 0.47 0.57 1.62 0.37 0.00 0.00 175.52 178.75 1k2h h VAL 83 N 0.72 1.20 -0.03 3.16 3.04 -1.53 0.45 116.25 123.26 1k2h h VAL 83 Ca 0.09 -0.39 0.01 0.00 -1.01 0.00 0.00 66.70 65.40 1k2h h VAL 83 Cb 0.81 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1k2h h VAL 83 CO 0.07 0.21 0.10 0.00 -1.01 0.00 0.00 177.57 176.94 1k2h h ALA 84 N 1.48 1.29 -1.91 3.17 0.00 -1.42 -2.99 119.26 118.88 1k2h h ALA 84 Ca 0.32 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.73 1k2h h ALA 84 Cb -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.32 1k2h h ALA 84 CO -0.08 -0.12 -1.13 0.00 0.00 0.00 0.00 179.25 177.93 1k2h n ASN 86 N 0.82 1.43 -4.68 0.00 4.13 -0.38 -4.82 115.26 111.76 1k2h n ASN 86 Ca 0.22 -1.29 -0.47 0.00 1.68 0.00 0.00 54.58 54.73 1k2h n ASN 86 Cb 0.60 -0.30 -0.04 0.00 -1.54 0.00 0.00 39.78 38.50 1k2h n ASN 86 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1k2h n ASN 87 N 1.72 3.52 -0.03 6.41 3.02 -1.26 -4.85 115.26 123.79 1k2h n ASN 87 Ca 0.00 0.98 -0.07 0.00 -0.03 0.00 0.00 54.58 55.46 1k2h n ASN 87 Cb 0.14 -1.41 -0.02 0.00 -0.61 0.00 0.00 39.78 37.88 1k2h n ASN 87 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1k2h n PHE 88 N 6.14 0.00 0.96 3.10 -0.00 -1.26 -4.61 117.46 121.78 1k2h n PHE 88 Ca 0.21 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.78 1k2h n PHE 88 Cb 0.31 -0.31 0.31 0.00 -0.00 0.00 0.00 39.48 39.80 1k2h n PHE 88 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1k2h n PHE 89 N -3.85 0.05 -1.35 -5.13 3.72 -1.26 -3.83 117.46 105.81 1k2h n PHE 89 Ca -0.12 0.02 -0.21 0.00 -0.05 0.00 0.00 57.45 57.08 1k2h n PHE 89 Cb 0.37 -0.33 0.16 0.00 -0.94 0.00 0.00 39.48 38.74 1k2h n PHE 89 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1k2h n TRP 90 N -1.56 2.59 -3.20 1.38 8.01 -1.26 -4.93 117.44 118.48 1k2h n TRP 90 Ca 0.06 -2.04 -0.41 0.00 -1.31 0.00 0.00 57.50 53.80 1k2h n TRP 90 Cb 0.35 -0.90 -0.07 0.00 -2.01 0.00 0.00 31.31 28.67 1k2h n TRP 90 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 1k2h s GLU 91 N -3.41 3.80 0.38 -0.99 2.56 -1.25 -4.83 118.70 114.96 1k2h s GLU 91 Ca 0.55 0.08 -0.21 0.00 0.00 0.00 0.00 54.97 55.39 1k2h s GLU 91 Cb 0.46 -3.75 -0.10 0.00 2.00 0.00 0.00 34.13 32.74 1k2h s GLU 91 CO 0.05 -0.57 0.91 -0.80 -0.56 0.00 0.00 175.26 174.29 1k2h s ASN 92 N 1.69 7.02 0.00 -1.70 0.02 -1.26 -5.10 114.94 115.61 1k2h s ASN 92 Ca 0.21 1.66 0.00 0.00 -1.02 0.00 0.00 52.86 53.71 1k2h s ASN 92 Cb -0.15 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.60 1k2h s ASN 92 CO 0.12 -0.24 0.00 -1.20 0.02 0.00 0.00 177.10 175.80