#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 5.88 0.23 1.61 1.04 -1.26 -4.81 113.70 116.39 1k2h s SER 2 Ca 0.00 1.17 -0.08 0.00 0.48 0.00 0.00 55.95 57.53 1k2h s SER 2 Cb 0.00 -2.16 0.22 0.00 0.10 0.00 0.00 66.02 64.18 1k2h s SER 2 CO 0.00 -1.02 1.91 -0.33 0.98 0.00 0.00 173.24 174.77 1k2h h GLU 3 N -0.35 1.21 0.00 4.02 4.39 -2.05 0.14 114.58 121.94 1k2h h GLU 3 Ca -0.45 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.17 1k2h h GLU 3 Cb 1.22 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1k2h h GLU 3 CO 0.62 0.81 -0.00 1.25 -1.16 0.00 0.00 179.01 180.53 1k2h h LEU 4 N 1.25 -0.00 -0.91 1.33 5.85 -2.00 -3.05 115.31 117.77 1k2h h LEU 4 Ca 0.33 -0.93 -0.03 0.00 0.84 0.00 0.00 57.88 58.09 1k2h h LEU 4 Cb -0.13 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1k2h h LEU 4 CO -0.07 0.94 0.40 -0.08 -0.34 0.00 0.00 178.44 179.30 1k2h h GLU 5 N -0.96 1.19 -0.93 1.25 4.81 -1.94 -2.52 114.58 115.48 1k2h h GLU 5 Ca -0.00 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1k2h h GLU 5 Cb 0.93 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1k2h h GLU 5 CO 0.00 0.91 0.55 1.15 -0.73 0.00 0.00 179.01 180.88 1k2h h THR 6 N 1.18 1.26 -0.96 0.32 2.02 -0.82 -2.49 112.91 113.42 1k2h h THR 6 Ca 0.29 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1k2h h THR 6 Cb 0.11 -0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.43 1k2h h THR 6 CO -0.04 0.28 0.60 0.00 0.37 0.00 0.00 175.52 176.73 1k2h h ALA 7 N 1.30 1.22 -0.89 6.16 0.00 -1.34 -2.30 119.26 123.41 1k2h h ALA 7 Ca 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1k2h h ALA 7 Cb -0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.33 1k2h h ALA 7 CO -0.06 0.65 0.56 1.98 0.00 0.00 0.00 179.25 182.38 1k2h h MET 8 N 1.31 1.19 -0.72 0.00 -1.53 -1.30 -2.15 114.93 111.73 1k2h h MET 8 Ca 0.35 -0.09 -0.02 0.00 -3.44 0.00 0.00 59.70 56.49 1k2h h MET 8 Cb -0.10 -0.26 -0.03 0.00 -0.55 0.00 0.00 31.60 30.66 1k2h h MET 8 CO -0.07 0.81 0.37 0.93 0.14 0.00 0.00 176.91 179.09 1k2h h GLU 9 N 1.21 1.02 -0.99 0.39 5.08 -1.28 -2.44 114.58 117.57 1k2h h GLU 9 Ca 0.32 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1k2h h GLU 9 Cb -0.09 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 28.92 1k2h h GLU 9 CO -0.06 0.77 0.66 1.15 -1.00 0.00 0.00 179.01 180.52 1k2h h THR 10 N 1.02 1.24 -0.93 1.13 2.02 -1.07 -2.48 112.91 113.84 1k2h h THR 10 Ca 0.25 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1k2h h THR 10 Cb 0.07 -0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.23 1k2h h THR 10 CO -0.04 0.24 0.61 -0.07 0.37 0.00 0.00 175.52 176.63 1k2h h LEU 11 N 1.33 1.07 -0.76 2.58 3.38 -1.26 -2.40 115.31 119.24 1k2h h LEU 11 Ca 0.37 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 1k2h h LEU 11 Cb -0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.32 1k2h h LEU 11 CO -0.09 0.78 0.31 0.40 0.09 0.00 0.00 178.44 179.94 1k2h h ILE 12 N 1.26 1.25 -0.84 1.22 2.04 -1.42 -2.23 117.51 118.79 1k2h h ILE 12 Ca 0.34 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1k2h h ILE 12 Cb -0.13 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 1k2h h ILE 12 CO -0.07 0.32 0.42 0.78 0.00 0.00 0.00 178.15 179.60 1k2h h ASN 13 N 1.09 1.10 0.57 1.72 2.35 -1.29 -2.82 115.58 118.30 1k2h h ASN 13 Ca 0.25 -0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.72 1k2h h ASN 13 Cb 0.20 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1k2h h ASN 13 CO -0.02 0.91 -0.71 0.58 -1.65 0.00 0.00 177.43 176.54 1k2h h VAL 14 N 1.20 1.46 -1.00 2.81 2.07 -1.24 -3.00 116.25 118.56 1k2h h VAL 14 Ca 0.29 -2.31 0.09 0.00 0.82 0.00 0.00 66.70 65.59 1k2h h VAL 14 Cb 0.10 2.24 -0.08 0.00 -1.52 0.00 0.00 31.29 32.04 1k2h h VAL 14 CO -0.04 0.67 0.64 -0.26 0.02 0.00 0.00 177.57 178.60 1k2h h PHE 15 N 0.08 1.16 0.00 1.57 -1.00 -1.15 1.04 116.94 118.64 1k2h h PHE 15 Ca -0.02 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1k2h h PHE 15 Cb 1.25 -0.37 -0.00 0.00 3.61 0.00 0.00 35.95 40.44 1k2h h PHE 15 CO 0.01 0.53 -0.07 0.45 -1.61 0.00 0.00 178.31 177.62 1k2h h HIS 16 N 1.07 0.00 0.05 -0.55 3.86 -1.47 0.12 115.15 118.24 1k2h h HIS 16 Ca 0.46 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.67 1k2h h HIS 16 Cb 0.34 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 1k2h h HIS 16 CO -0.00 0.07 -0.03 0.00 0.86 0.00 0.00 177.93 178.83 1k2h h ALA 17 N 1.93 -0.07 0.00 2.45 0.00 0.12 2.88 119.26 126.57 1k2h h ALA 17 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k2h h ALA 17 Cb 0.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1k2h h ALA 17 CO 0.01 -0.54 -0.77 0.72 0.00 0.00 0.00 179.25 178.67 1k2h n HIS 18 N -5.12 0.45 -1.06 0.00 8.25 -0.98 -4.40 115.22 112.35 1k2h n HIS 18 Ca -0.07 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1k2h n HIS 18 Cb 0.06 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.59 1k2h n HIS 18 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1k2h n SER 19 N -2.06 0.23 0.07 0.41 7.64 0.40 -4.81 113.62 115.50 1k2h n SER 19 Ca 0.03 -1.29 -0.02 0.00 1.01 0.00 0.00 58.87 58.59 1k2h n SER 19 Cb 0.44 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.54 1k2h n SER 19 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1k2h h GLY 20 N 0.00 0.00 2.00 0.23 0.00 0.51 -3.16 103.07 102.65 1k2h h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k2h h GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 1k2h n LYS 21 N -3.17 0.16 -2.64 4.80 0.00 -1.24 -4.74 118.16 111.33 1k2h n LYS 21 Ca -0.03 0.27 -0.30 0.00 0.00 0.00 0.00 58.31 58.24 1k2h n LYS 21 Cb 0.86 -1.74 -0.02 0.00 0.00 0.00 0.00 35.03 34.13 1k2h n LYS 21 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1k2h s GLU 22 N -3.15 3.75 0.00 1.64 0.41 -1.20 -4.95 118.70 115.21 1k2h s GLU 22 Ca 0.08 0.54 0.29 0.00 -0.41 0.00 0.00 54.97 55.47 1k2h s GLU 22 Cb 0.12 -2.31 1.35 0.00 -1.78 0.00 0.00 34.13 31.50 1k2h s GLU 22 CO 0.45 -0.16 1.96 0.41 -0.49 0.00 0.00 175.26 177.44 1k2h n GLY 23 N -1.64 -1.34 3.52 -1.39 0.00 -1.26 -4.63 105.19 98.45 1k2h n GLY 23 Ca 0.03 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.76 5.79 0.53 1.61 1.01 -1.26 -4.95 116.67 116.65 1k2h s ASP 24 Ca 0.21 -0.27 0.32 0.00 0.71 0.00 0.00 52.55 53.53 1k2h s ASP 24 Cb 0.19 -2.07 1.19 0.00 1.01 0.00 0.00 42.92 43.25 1k2h s ASP 24 CO 0.47 -0.13 1.92 0.11 0.21 0.00 0.00 175.17 177.75 1k2h h LYS 25 N 8.38 0.00 -6.67 8.23 1.57 -1.83 -3.45 116.57 122.80 1k2h h LYS 25 Ca -0.34 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.97 1k2h h LYS 25 Cb 1.17 0.00 0.23 0.00 0.08 0.00 0.00 32.23 33.71 1k2h h LYS 25 CO 0.59 0.00 -1.06 0.66 -0.57 0.00 0.00 179.45 179.07 1k2h n TYR 26 N -3.09 -1.46 0.00 -1.35 4.01 -1.26 -4.94 117.16 109.08 1k2h n TYR 26 Ca 0.01 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 1k2h n TYR 26 Cb 0.34 -1.59 0.00 0.00 -0.31 0.00 0.00 39.34 37.78 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 -1.83 0.00 -3.55 -0.72 3.00 -0.78 -4.93 118.16 109.35 1k2h n LYS 27 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1k2h n LYS 27 Cb 0.61 -0.80 0.01 0.00 0.00 0.00 0.00 35.03 34.86 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 -0.48 0.00 -4.76 3.14 -0.00 -1.19 -4.75 117.00 108.95 1k2h n LEU 28 Ca 0.00 -0.73 -0.32 0.00 -0.00 0.00 0.00 56.01 54.96 1k2h n LEU 28 Cb 0.00 1.90 0.07 0.00 -0.00 0.00 0.00 43.42 45.39 1k2h n LEU 28 CO 0.00 -0.24 0.72 -0.94 -0.00 0.00 0.00 177.39 176.93 1k2h s SER 29 N -3.21 4.72 0.12 1.96 1.04 -1.26 -2.04 113.70 115.03 1k2h s SER 29 Ca 0.22 1.95 -0.20 0.00 0.48 0.00 0.00 55.95 58.40 1k2h s SER 29 Cb -0.01 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.51 1k2h s SER 29 CO 0.02 -1.89 1.77 0.11 0.98 0.00 0.00 173.24 174.22 1k2h h LYS 30 N -0.56 0.22 -0.52 4.02 1.57 -1.46 0.76 116.57 120.60 1k2h h LYS 30 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1k2h h LYS 30 Cb 1.24 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1k2h h LYS 30 CO 0.52 0.15 0.33 0.87 -0.57 0.00 0.00 179.45 180.75 1k2h h LYS 31 N 0.23 0.70 -0.32 3.15 1.79 -1.36 -2.32 116.57 118.44 1k2h h LYS 31 Ca 0.08 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 58.34 1k2h h LYS 31 Cb 0.01 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.50 1k2h h LYS 31 CO -0.05 0.49 -0.42 1.49 -1.08 0.00 0.00 179.45 179.89 1k2h h GLU 32 N 0.70 0.85 -0.49 3.15 4.81 -1.81 -3.03 114.58 118.76 1k2h h GLU 32 Ca 0.19 -0.48 0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1k2h h GLU 32 Cb -0.04 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.28 1k2h h GLU 32 CO -0.04 1.12 -0.20 1.25 -0.73 0.00 0.00 179.01 180.42 1k2h h LEU 33 N 0.63 -0.69 -0.67 1.64 7.12 -0.56 -1.56 115.31 121.23 1k2h h LEU 33 Ca 0.04 0.17 -0.08 0.00 0.13 0.00 0.00 57.88 58.14 1k2h h LEU 33 Cb 1.02 0.39 -0.03 0.00 -0.53 0.00 0.00 40.66 41.51 1k2h h LEU 33 CO 0.10 -0.23 0.12 0.50 -0.13 0.00 0.00 178.44 178.80 1k2h h LYS 34 N -0.09 1.11 -0.52 1.25 1.63 -1.40 -2.59 116.57 115.96 1k2h h LYS 34 Ca 0.23 -0.29 0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1k2h h LYS 34 Cb 0.45 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 1k2h h LYS 34 CO -0.55 1.01 0.34 -0.44 -3.45 0.00 0.00 179.45 176.36 1k2h h ASP 35 N 1.03 0.56 0.21 4.20 3.32 -1.19 -1.77 116.42 122.78 1k2h h ASP 35 Ca 0.20 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1k2h h ASP 35 Cb 0.43 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1k2h h ASP 35 CO 0.01 0.40 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.76 1k2h h LEU 36 N 0.66 -0.24 -0.15 1.55 3.38 -1.01 -2.84 115.31 116.67 1k2h h LEU 36 Ca 0.19 -0.28 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 1k2h h LEU 36 Cb -0.02 0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1k2h h LEU 36 CO -0.05 0.28 -0.54 -0.07 0.09 0.00 0.00 178.44 178.15 1k2h h LEU 37 N -0.89 0.73 -2.10 1.67 3.38 -1.45 -2.71 115.31 113.94 1k2h h LEU 37 Ca -0.03 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.35 1k2h h LEU 37 Cb 0.50 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1k2h h LEU 37 CO 0.05 1.22 0.05 -0.61 0.09 0.00 0.00 178.44 179.23 1k2h h GLN 38 N 0.28 0.00 -0.09 1.13 4.15 -1.48 0.25 115.11 119.35 1k2h h GLN 38 Ca -0.03 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.15 1k2h h GLN 38 Cb 1.17 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.88 1k2h h GLN 38 CO 0.11 0.00 -0.89 1.15 -1.93 0.00 0.00 178.83 177.28 1k2h h THR 39 N 0.00 1.28 0.00 2.39 2.02 -1.33 -3.12 112.91 114.15 1k2h h THR 39 Ca 0.03 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.12 1k2h h THR 39 Cb 0.12 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1k2h h THR 39 CO -0.00 0.66 -0.00 -0.08 0.37 0.00 0.00 175.52 176.46 1k2h h GLU 40 N 0.48 0.00 -0.96 6.66 4.57 -0.92 -3.20 114.58 121.21 1k2h h GLU 40 Ca -0.08 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.55 1k2h h GLU 40 Cb 1.53 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 29.82 1k2h h GLU 40 CO 0.18 0.00 0.66 1.28 -1.18 0.00 0.00 179.01 179.95 1k2h n LEU 41 N -2.70 6.86 -0.32 1.64 4.77 0.75 -4.60 117.00 123.39 1k2h n LEU 41 Ca 0.05 -3.83 -0.03 0.00 -0.03 0.00 0.00 56.01 52.17 1k2h n LEU 41 Cb 0.48 -0.86 0.10 0.00 -2.33 0.00 0.00 43.42 40.81 1k2h n LEU 41 CO 0.32 1.20 1.23 0.28 -1.33 0.00 0.00 177.39 179.09 1k2h h SER 42 N 1.30 0.97 0.08 -1.43 0.02 -1.54 -1.34 113.55 111.60 1k2h h SER 42 Ca 0.61 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.53 1k2h h SER 42 Cb 2.21 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 64.52 1k2h h SER 42 CO 1.20 0.69 -0.04 0.77 -1.14 0.00 0.00 176.83 178.31 1k2h h SER 43 N 1.14 0.00 1.00 3.07 4.64 -1.90 0.16 113.55 121.66 1k2h h SER 43 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1k2h h SER 43 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1k2h h SER 43 CO -0.09 0.04 0.00 -0.26 -0.87 0.00 0.00 176.83 175.65 1k2h h PHE 44 N 0.00 0.00 0.00 4.77 0.04 -1.60 0.15 116.94 120.30 1k2h h PHE 44 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1k2h h PHE 44 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1k2h h PHE 44 CO 0.00 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.99 1k2h n LEU 45 N -3.08 0.00 -0.29 1.54 4.77 0.55 -3.43 117.00 117.06 1k2h n LEU 45 Ca 0.01 0.44 0.11 0.00 -0.03 0.00 0.00 56.01 56.53 1k2h n LEU 45 Cb 0.30 -0.44 0.27 0.00 -2.33 0.00 0.00 43.42 41.23 1k2h n LEU 45 CO 0.27 -0.09 1.04 -2.24 -1.33 0.00 0.00 177.39 175.03 1k2h h ASP 46 N 0.00 0.31 -1.61 -1.43 2.03 -0.72 -3.35 116.42 111.66 1k2h h ASP 46 Ca 0.00 0.14 -0.28 0.00 -0.73 0.00 0.00 57.03 56.16 1k2h h ASP 46 Cb 0.34 0.12 -0.26 0.00 -0.83 0.00 0.00 39.33 38.70 1k2h h ASP 46 CO 0.00 0.03 -0.62 0.68 -1.03 0.00 0.00 179.24 178.30 1k2h s VAL 47 N -5.93 -0.54 -0.29 4.15 -7.23 -1.22 -5.10 120.40 104.24 1k2h s VAL 47 Ca -0.12 -0.87 -0.29 0.00 -1.81 0.00 0.00 61.98 58.90 1k2h s VAL 47 Cb 0.24 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.71 1k2h s VAL 47 CO 0.78 -0.41 1.75 0.00 -0.31 0.00 0.00 175.10 176.90 1k2h s GLN 48 N 1.35 3.48 -0.02 4.82 -2.07 -1.26 -4.51 119.66 121.45 1k2h s GLN 48 Ca 0.20 1.50 -0.00 0.00 -1.82 0.00 0.00 55.36 55.24 1k2h s GLN 48 Cb -0.09 -4.15 -0.00 0.00 -1.09 0.00 0.00 33.01 27.68 1k2h s GLN 48 CO -0.05 -1.68 0.03 0.87 -1.32 0.00 0.00 175.29 173.13 1k2h h LYS 49 N 12.21 -0.01 -4.59 9.60 1.79 0.89 -3.41 116.57 133.05 1k2h h LYS 49 Ca -0.34 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.41 1k2h h LYS 49 Cb 1.16 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.61 1k2h h LYS 49 CO 1.02 -0.00 0.54 0.34 -1.08 0.00 0.00 179.45 180.27 1k2h s ASP 50 N -3.47 6.66 0.40 0.86 -1.08 -0.78 -4.83 116.67 114.43 1k2h s ASP 50 Ca -0.00 -2.25 0.28 0.00 -0.52 0.00 0.00 52.55 50.06 1k2h s ASP 50 Cb 0.00 -2.33 1.09 0.00 -1.46 0.00 0.00 42.92 40.23 1k2h s ASP 50 CO 0.00 -0.89 1.83 0.00 0.52 0.00 0.00 175.17 176.63 1k2h h ALA 51 N 8.47 1.00 -0.32 3.66 0.00 -1.80 -2.85 119.26 127.41 1k2h h ALA 51 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1k2h h ALA 51 Cb 1.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1k2h h ALA 51 CO 0.98 0.00 -0.41 -0.44 0.00 0.00 0.00 179.25 179.38 1k2h h ASP 52 N 0.00 0.85 -0.06 0.00 3.32 -1.97 -1.49 116.42 117.07 1k2h h ASP 52 Ca 0.00 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 1k2h h ASP 52 Cb 0.50 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1k2h h ASP 52 CO 0.00 1.15 -0.05 0.00 -1.72 0.00 0.00 179.24 178.62 1k2h h ALA 53 N 0.89 0.09 -0.94 3.45 0.00 -1.87 -1.19 119.26 119.68 1k2h h ALA 53 Ca 0.05 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1k2h h ALA 53 Cb 0.98 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1k2h h ALA 53 CO 0.09 -0.13 0.61 0.28 0.00 0.00 0.00 179.25 180.11 1k2h h VAL 54 N -0.29 1.15 -0.95 0.00 2.07 -1.59 -1.44 116.25 115.21 1k2h h VAL 54 Ca 0.01 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1k2h h VAL 54 Cb 0.54 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1k2h h VAL 54 CO 0.01 0.21 0.62 -0.78 0.02 0.00 0.00 177.57 177.66 1k2h h ASP 55 N 1.17 1.09 -0.77 0.57 1.82 -1.05 -2.20 116.42 117.05 1k2h h ASP 55 Ca 0.37 -0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.96 1k2h h ASP 55 Cb 0.03 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 39.73 1k2h h ASP 55 CO -0.12 0.80 0.38 0.50 -1.61 0.00 0.00 179.24 179.19 1k2h h LYS 56 N 1.29 1.10 -0.89 0.28 3.64 -0.13 -2.21 116.57 119.65 1k2h h LYS 56 Ca 0.35 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1k2h h LYS 56 Cb -0.14 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.44 1k2h h LYS 56 CO -0.07 0.84 0.57 0.82 -2.27 0.00 0.00 179.45 179.34 1k2h h ILE 57 N 1.08 1.24 -0.62 2.00 2.04 -1.03 -1.26 117.51 120.95 1k2h h ILE 57 Ca 0.27 -0.46 0.09 0.00 1.00 0.00 0.00 64.86 65.75 1k2h h ILE 57 Cb 0.10 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 1k2h h ILE 57 CO -0.04 0.23 0.41 0.24 0.00 0.00 0.00 178.15 179.00 1k2h h MET 58 N 1.21 0.48 -0.90 2.37 2.86 -0.91 -1.00 114.93 119.03 1k2h h MET 58 Ca 0.32 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 1k2h h MET 58 Cb -0.11 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.40 1k2h h MET 58 CO -0.07 0.32 0.51 -0.22 1.06 0.00 0.00 176.91 178.50 1k2h h LYS 59 N 0.49 1.25 -0.54 1.72 3.64 -1.02 -2.48 116.57 119.63 1k2h h LYS 59 Ca 0.28 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1k2h h LYS 59 Cb 0.47 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1k2h h LYS 59 CO -0.08 0.90 -0.06 0.93 -2.27 0.00 0.00 179.45 178.87 1k2h h GLU 60 N 1.26 0.97 0.00 1.90 5.08 -1.16 -1.45 114.58 121.18 1k2h h GLU 60 Ca 0.32 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1k2h h GLU 60 Cb 0.01 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1k2h h GLU 60 CO -0.05 0.99 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.57 1k2h h LEU 61 N 0.88 0.00 0.10 1.33 3.38 -1.28 -1.93 115.31 117.79 1k2h h LEU 61 Ca 0.15 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.78 1k2h h LEU 61 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1k2h h LEU 61 CO 0.04 0.31 -1.84 -0.78 0.09 0.00 0.00 178.44 176.26 1k2h h ASP 62 N 0.00 0.33 0.22 -0.43 1.82 -1.25 0.32 116.42 117.43 1k2h h ASP 62 Ca -0.00 -0.67 -0.13 0.00 -0.39 0.00 0.00 57.03 55.83 1k2h h ASP 62 Cb 0.72 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1k2h h ASP 62 CO 0.04 1.60 -0.50 1.05 -1.61 0.00 0.00 179.24 179.82 1k2h h GLU 63 N 0.06 0.31 -0.54 0.28 4.11 -1.25 -3.35 114.58 114.20 1k2h h GLU 63 Ca -0.36 -0.18 -0.28 0.00 0.07 0.00 0.00 59.36 58.62 1k2h h GLU 63 Cb 2.03 0.01 -0.33 0.00 0.50 0.00 0.00 28.75 30.97 1k2h h GLU 63 CO 0.11 0.74 -0.93 0.09 0.07 0.00 0.00 179.01 179.09 1k2h n ASN 64 N -3.96 0.61 -0.23 3.06 5.03 -0.73 -4.92 115.26 114.12 1k2h n ASN 64 Ca -0.02 -2.39 0.29 0.00 0.87 0.00 0.00 54.58 53.32 1k2h n ASN 64 Cb 0.55 -0.13 0.69 0.00 -1.02 0.00 0.00 39.78 39.87 1k2h n ASN 64 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1k2h h GLY 65 N 2.48 0.21 -0.12 7.41 0.00 -0.47 2.56 103.07 115.15 1k2h h GLY 65 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1k2h h GLY 65 CO 0.23 -0.01 -0.01 1.22 0.00 0.00 0.00 176.54 177.96 1k2h n ASP 66 N -4.31 1.17 -3.70 0.19 8.00 -1.26 -1.07 116.55 115.57 1k2h n ASP 66 Ca 0.21 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1k2h n ASP 66 Cb 0.99 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.09 1k2h n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k2h n GLY 67 N 1.15 -1.97 3.34 0.44 0.00 0.86 -4.71 105.19 104.30 1k2h n GLY 67 Ca 0.20 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 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 0.97 0.08 1.61 2.12 -1.26 -3.28 118.70 118.93 1k2h s GLU 68 Ca 0.00 -0.36 0.03 0.00 0.36 0.00 0.00 54.97 55.00 1k2h s GLU 68 Cb 0.00 0.43 -0.03 0.00 0.26 0.00 0.00 34.13 34.79 1k2h s GLU 68 CO 0.00 -0.34 -0.10 0.14 -0.54 0.00 0.00 175.26 174.42 1k2h s VAL 69 N -2.60 0.82 0.00 3.70 -7.23 -0.87 -4.80 120.40 109.43 1k2h s VAL 69 Ca -0.04 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1k2h s VAL 69 Cb -0.01 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.82 1k2h s VAL 69 CO -0.03 -0.48 0.00 0.47 -0.31 0.00 0.00 175.10 174.75 1k2h n ASP 70 N 0.89 1.05 0.01 4.85 8.00 -1.26 -1.87 116.55 128.22 1k2h n ASP 70 Ca -0.19 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.21 1k2h n ASP 70 Cb 0.56 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.61 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 0.06 0.00 1.24 -5.15 -1.94 0.57 116.94 111.71 1k2h h PHE 71 Ca 0.00 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.70 1k2h h PHE 71 Cb 0.00 -0.01 -0.01 0.00 0.22 0.00 0.00 35.95 36.14 1k2h h PHE 71 CO 0.00 0.03 -0.36 0.37 -2.00 0.00 0.00 178.31 176.35 1k2h h GLN 72 N 0.08 0.00 0.21 6.09 4.15 -1.98 -1.16 115.11 122.49 1k2h h GLN 72 Ca 0.03 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.12 1k2h h GLN 72 Cb 0.01 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.73 1k2h h GLN 72 CO -0.03 0.36 -1.53 0.93 -1.93 0.00 0.00 178.83 176.64 1k2h h GLU 73 N 0.00 0.45 -0.33 1.69 5.08 -1.84 -2.25 114.58 117.38 1k2h h GLU 73 Ca -0.00 -0.77 -0.15 0.00 -1.00 0.00 0.00 59.36 57.43 1k2h h GLU 73 Cb 0.78 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1k2h h GLU 73 CO 0.05 1.36 -0.40 0.35 -1.00 0.00 0.00 179.01 179.37 1k2h h PHE 74 N 0.12 0.97 -0.14 4.33 3.04 0.25 -1.67 116.94 123.84 1k2h h PHE 74 Ca -0.26 -0.29 -0.19 0.00 3.98 0.00 0.00 57.97 61.20 1k2h h PHE 74 Cb 2.12 -0.20 0.01 0.00 2.56 0.00 0.00 35.95 40.43 1k2h h PHE 74 CO 0.11 1.07 -0.67 0.28 -2.02 0.00 0.00 178.31 177.08 1k2h h VAL 75 N 0.66 1.31 -0.36 1.41 2.07 -1.29 -1.63 116.25 118.42 1k2h h VAL 75 Ca 0.05 -1.90 -0.15 0.00 0.82 0.00 0.00 66.70 65.52 1k2h h VAL 75 Cb 0.96 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1k2h h VAL 75 CO 0.09 0.59 -0.37 0.58 0.02 0.00 0.00 177.57 178.49 1k2h h VAL 76 N 0.39 1.28 -0.36 2.57 2.07 -1.42 -2.25 116.25 118.53 1k2h h VAL 76 Ca -0.04 -1.54 -0.13 0.00 0.82 0.00 0.00 66.70 65.80 1k2h h VAL 76 Cb 1.30 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1k2h h VAL 76 CO 0.14 0.51 -0.32 0.25 0.02 0.00 0.00 177.57 178.17 1k2h h LEU 77 N 0.69 0.82 -0.42 2.57 6.46 -1.35 -2.37 115.31 121.71 1k2h h LEU 77 Ca 0.06 -0.34 -0.15 0.00 -0.12 0.00 0.00 57.88 57.33 1k2h h LEU 77 Cb 0.96 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 1k2h h LEU 77 CO 0.09 1.07 -0.31 0.58 -0.62 0.00 0.00 178.44 179.25 1k2h h VAL 78 N 0.67 1.27 -0.80 1.05 2.07 -1.24 -1.87 116.25 117.40 1k2h h VAL 78 Ca 0.07 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 1k2h h VAL 78 Cb 0.86 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1k2h h VAL 78 CO 0.08 0.50 0.46 0.00 0.02 0.00 0.00 177.57 178.63 1k2h h ALA 79 N 0.81 1.30 -0.74 1.67 0.00 -1.36 -1.18 119.26 119.75 1k2h h ALA 79 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1k2h h ALA 79 Cb 0.91 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1k2h h ALA 79 CO 0.08 0.59 0.37 0.00 0.00 0.00 0.00 179.25 180.29 1k2h h ALA 80 N 1.39 1.25 -0.41 0.00 0.00 -0.98 -1.67 119.26 118.85 1k2h h ALA 80 Ca 0.29 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1k2h h ALA 80 Cb -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1k2h h ALA 80 CO -0.05 0.58 -0.04 -0.07 0.00 0.00 0.00 179.25 179.67 1k2h h LEU 81 N 1.05 0.65 -1.25 0.00 3.38 -0.42 -2.54 115.31 116.17 1k2h h LEU 81 Ca 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1k2h h LEU 81 Cb 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1k2h h LEU 81 CO -0.04 0.75 0.37 0.74 0.09 0.00 0.00 178.44 180.35 1k2h h THR 82 N 0.63 1.19 -0.98 0.22 2.02 -0.74 -1.67 112.91 113.58 1k2h h THR 82 Ca 0.12 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.86 1k2h h THR 82 Cb 0.46 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 1k2h h THR 82 CO 0.02 0.21 0.65 1.62 0.37 0.00 0.00 175.52 178.39 1k2h h VAL 83 N 0.89 1.24 0.00 3.16 3.04 -1.12 0.42 116.25 123.89 1k2h h VAL 83 Ca 0.23 -0.45 -0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1k2h h VAL 83 Cb 0.00 -0.19 -0.00 0.00 -2.01 0.00 0.00 31.29 29.09 1k2h h VAL 83 CO -0.04 0.24 -0.02 0.00 -1.01 0.00 0.00 177.57 176.74 1k2h h ALA 84 N 1.40 1.43 -1.55 3.17 0.00 -1.26 -3.17 119.26 119.27 1k2h h ALA 84 Ca 0.36 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.82 1k2h h ALA 84 Cb -0.14 -0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.31 1k2h h ALA 84 CO -0.08 0.02 -1.03 0.00 0.00 0.00 0.00 179.25 178.16 1k2h n ASN 86 N 0.38 1.60 -4.77 0.00 6.94 0.13 -4.83 115.26 114.70 1k2h n ASN 86 Ca 0.21 -1.18 -0.41 0.00 -0.02 0.00 0.00 54.58 53.18 1k2h n ASN 86 Cb 0.66 -0.32 0.01 0.00 -2.36 0.00 0.00 39.78 37.77 1k2h n ASN 86 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1k2h s ASN 87 N 1.56 6.17 0.00 0.53 6.03 -1.26 -4.93 114.94 123.04 1k2h s ASN 87 Ca 0.00 3.01 0.00 0.00 -1.03 0.00 0.00 52.86 54.84 1k2h s ASN 87 Cb 0.00 -2.66 0.00 0.00 -3.03 0.00 0.00 41.25 35.56 1k2h s ASN 87 CO 0.00 -0.99 0.00 0.49 -2.03 0.00 0.00 177.10 174.57 1k2h n PHE 88 N 0.22 0.00 0.01 1.54 3.72 -1.26 -4.80 117.46 116.89 1k2h n PHE 88 Ca 0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.40 1k2h n PHE 88 Cb 0.40 0.02 -0.11 0.00 -0.94 0.00 0.00 39.48 38.85 1k2h n PHE 88 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1k2h n PHE 89 N -2.76 0.86 0.41 1.38 7.35 -1.26 -4.07 117.46 119.37 1k2h n PHE 89 Ca 0.00 0.29 -0.06 0.00 -0.76 0.00 0.00 57.45 56.92 1k2h n PHE 89 Cb 0.47 -1.08 0.05 0.00 0.35 0.00 0.00 39.48 39.27 1k2h n PHE 89 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1k2h n TRP 90 N -2.88 0.81 -2.46 -5.13 8.01 -1.26 -4.90 117.44 109.62 1k2h n TRP 90 Ca -0.13 -0.82 -0.39 0.00 -1.31 0.00 0.00 57.50 54.85 1k2h n TRP 90 Cb 0.90 -0.42 -0.04 0.00 -2.01 0.00 0.00 31.31 29.74 1k2h n TRP 90 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 1k2h s GLU 91 N -0.92 4.43 0.29 -0.99 2.02 -1.26 -4.85 118.70 117.43 1k2h s GLU 91 Ca 0.15 1.74 -0.29 0.00 0.02 0.00 0.00 54.97 56.59 1k2h s GLU 91 Cb 0.13 -2.95 -0.10 0.00 0.10 0.00 0.00 34.13 31.31 1k2h s GLU 91 CO 0.03 0.04 1.26 1.21 0.02 0.00 0.00 175.26 177.82 1k2h s ASN 92 N -1.08 6.91 0.00 -0.19 2.47 -1.26 -5.13 114.94 116.66 1k2h s ASN 92 Ca 0.50 2.53 0.00 0.00 0.42 0.00 0.00 52.86 56.31 1k2h s ASN 92 Cb -0.29 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 36.87 1k2h s ASN 92 CO 0.38 -0.44 0.45 -0.24 -3.72 0.00 0.00 177.10 173.52