#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 6.33 0.15 1.61 0.15 -1.26 -5.02 113.70 115.65 1k2h s SER 2 Ca 0.00 0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.68 1k2h s SER 2 Cb 0.00 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.39 1k2h s SER 2 CO 0.00 -0.03 1.49 -0.33 1.20 0.00 0.00 173.24 175.57 1k2h h GLU 3 N 1.58 0.95 -0.23 5.44 4.39 -2.07 -3.18 114.58 121.47 1k2h h GLU 3 Ca -0.50 -0.48 -0.10 0.00 0.34 0.00 0.00 59.36 58.62 1k2h h GLU 3 Cb 1.21 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1k2h h GLU 3 CO 0.64 1.14 -0.25 -0.07 -1.16 0.00 0.00 179.01 179.31 1k2h h LEU 4 N 0.78 0.63 -1.25 1.33 3.38 -2.01 -3.10 115.31 115.07 1k2h h LEU 4 Ca 0.07 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1k2h h LEU 4 Cb 0.93 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1k2h h LEU 4 CO 0.09 0.98 0.41 1.05 0.09 0.00 0.00 178.44 181.06 1k2h h GLU 5 N 0.28 0.91 -0.87 1.13 4.11 -1.99 -1.51 114.58 116.65 1k2h h GLU 5 Ca 0.03 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.40 1k2h h GLU 5 Cb 0.81 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1k2h h GLU 5 CO 0.06 0.64 0.57 1.15 0.07 0.00 0.00 179.01 181.51 1k2h h THR 6 N 0.93 1.22 -0.90 -1.06 2.02 -1.52 -1.79 112.91 111.81 1k2h h THR 6 Ca 0.24 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 67.07 1k2h h THR 6 Cb -0.04 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.27 1k2h h THR 6 CO -0.05 0.21 0.59 0.00 0.37 0.00 0.00 175.52 176.65 1k2h h ALA 7 N 1.46 1.47 -0.92 6.16 0.00 -1.20 -2.14 119.26 124.10 1k2h h ALA 7 Ca 0.32 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1k2h h ALA 7 Cb -0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.32 1k2h h ALA 7 CO -0.07 0.42 0.61 0.52 0.00 0.00 0.00 179.25 180.72 1k2h h MET 8 N 1.07 1.21 -0.73 0.00 2.07 -1.24 -2.35 114.93 114.96 1k2h h MET 8 Ca 0.37 -0.07 -0.02 0.00 -2.07 0.00 0.00 59.70 57.90 1k2h h MET 8 Cb 0.11 -0.27 -0.03 0.00 -1.87 0.00 0.00 31.60 29.53 1k2h h MET 8 CO -0.13 0.80 0.37 1.49 1.07 0.00 0.00 176.91 180.51 1k2h h GLU 9 N 1.25 1.04 -0.77 1.72 4.81 -1.37 -2.85 114.58 118.40 1k2h h GLU 9 Ca 0.34 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1k2h h GLU 9 Cb -0.14 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.01 1k2h h GLU 9 CO -0.07 0.80 0.28 1.15 -0.73 0.00 0.00 179.01 180.44 1k2h h THR 10 N 1.02 1.26 -0.97 0.32 2.02 -1.29 -2.88 112.91 112.39 1k2h h THR 10 Ca 0.25 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1k2h h THR 10 Cb 0.09 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 1k2h h THR 10 CO -0.03 0.35 0.61 -0.07 0.37 0.00 0.00 175.52 176.74 1k2h h LEU 11 N 1.14 1.14 -0.64 2.58 3.38 -1.21 -2.32 115.31 119.37 1k2h h LEU 11 Ca 0.25 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1k2h h LEU 11 Cb 0.26 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1k2h h LEU 11 CO -0.02 0.85 0.28 0.40 0.09 0.00 0.00 178.44 180.05 1k2h h ILE 12 N 1.33 1.23 -0.59 1.22 1.08 -1.41 -2.50 117.51 117.86 1k2h h ILE 12 Ca 0.35 -0.69 -0.02 0.00 -0.39 0.00 0.00 64.86 64.11 1k2h h ILE 12 Cb -0.10 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 1k2h h ILE 12 CO -0.07 0.28 0.28 -1.13 -0.69 0.00 0.00 178.15 176.81 1k2h h ASN 13 N 0.90 0.78 -0.23 1.72 -1.24 -1.28 -2.98 115.58 113.25 1k2h h ASN 13 Ca 0.22 -0.14 -0.15 0.00 0.71 0.00 0.00 56.30 56.94 1k2h h ASN 13 Cb 0.17 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1k2h h ASN 13 CO -0.02 0.70 -0.42 0.58 -1.29 0.00 0.00 177.43 176.98 1k2h h VAL 14 N 0.81 1.29 -0.95 2.57 2.07 -1.33 -2.85 116.25 117.86 1k2h h VAL 14 Ca 0.20 -1.60 0.11 0.00 0.82 0.00 0.00 66.70 66.23 1k2h h VAL 14 Cb 0.13 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 1k2h h VAL 14 CO -0.02 0.52 0.61 -0.26 0.02 0.00 0.00 177.57 178.44 1k2h h PHE 15 N 0.63 1.05 -0.03 1.57 0.04 -1.35 0.84 116.94 119.69 1k2h h PHE 15 Ca 0.05 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.86 1k2h h PHE 15 Cb 0.98 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 1k2h h PHE 15 CO 0.05 0.46 0.03 1.25 -0.60 0.00 0.00 178.31 179.49 1k2h h HIS 16 N 0.95 0.00 0.66 -0.55 2.76 -1.36 0.61 115.15 118.22 1k2h h HIS 16 Ca 0.45 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.59 1k2h h HIS 16 Cb 0.44 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.41 1k2h h HIS 16 CO -0.00 0.00 -0.32 0.00 -1.30 0.00 0.00 177.93 176.31 1k2h h ALA 17 N 1.98 -0.88 -0.03 5.26 0.00 0.78 2.49 119.26 128.85 1k2h h ALA 17 Ca 0.02 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 1k2h h ALA 17 Cb 0.07 0.34 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1k2h h ALA 17 CO -0.00 -0.99 -0.99 0.45 0.00 0.00 0.00 179.25 177.71 1k2h h HIS 18 N -0.89 1.06 -0.53 0.00 3.86 -1.46 -3.28 115.15 113.91 1k2h h HIS 18 Ca -0.09 -0.55 0.00 0.00 -1.16 0.00 0.00 60.37 58.57 1k2h h HIS 18 Cb 0.68 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1k2h h HIS 18 CO -0.03 1.39 0.00 0.43 0.86 0.00 0.00 177.93 180.58 1k2h n SER 19 N -3.87 5.49 0.00 2.45 7.64 0.18 -4.61 113.62 120.89 1k2h n SER 19 Ca -0.10 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 56.82 1k2h n SER 19 Cb 0.86 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.45 -0.23 3.66 0.23 0.00 0.84 -4.13 105.19 106.01 1k2h n GLY 20 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.44 4.16 0.25 1.61 2.20 -1.26 -4.84 119.74 119.42 1k2h s LYS 21 Ca 0.00 2.28 -0.06 0.00 -0.36 0.00 0.00 55.97 57.83 1k2h s LYS 21 Cb 0.00 -4.03 0.26 0.00 -1.51 0.00 0.00 37.83 32.55 1k2h s LYS 21 CO 0.00 -0.88 1.93 0.93 -0.36 0.00 0.00 175.35 176.97 1k2h h GLU 22 N 9.82 1.32 0.20 4.03 5.08 -1.97 -0.67 114.58 132.38 1k2h h GLU 22 Ca -0.42 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1k2h h GLU 22 Cb 1.19 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1k2h h GLU 22 CO 0.95 0.88 -0.15 0.78 -1.00 0.00 0.00 179.01 180.46 1k2h h GLY 23 N 1.36 -0.36 -5.98 -3.84 0.00 -1.92 -2.99 103.07 89.36 1k2h h GLY 23 Ca 0.37 0.17 -0.78 0.00 0.00 0.00 0.00 47.33 47.09 1k2h h GLY 23 CO -0.08 -0.16 0.82 1.22 0.00 0.00 0.00 176.54 178.34 1k2h n ASP 24 N -5.28 7.01 -0.38 0.19 8.00 -0.96 -4.77 116.55 120.36 1k2h n ASP 24 Ca -0.08 -3.71 -0.02 0.00 0.71 0.00 0.00 54.79 51.69 1k2h n ASP 24 Cb 0.19 -1.08 0.11 0.00 -0.02 0.00 0.00 41.12 40.33 1k2h n ASP 24 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1k2h h LYS 25 N 3.91 1.33 -6.72 -1.24 3.64 -0.98 -3.41 116.57 113.10 1k2h h LYS 25 Ca 0.49 -0.08 -0.46 0.00 -1.27 0.00 0.00 60.65 59.33 1k2h h LYS 25 Cb 0.32 -0.30 0.23 0.00 -0.41 0.00 0.00 32.23 32.07 1k2h h LYS 25 CO 1.16 0.88 -0.96 0.66 -2.27 0.00 0.00 179.45 178.91 1k2h n TYR 26 N -4.38 -1.41 0.00 1.91 4.01 -1.26 -4.75 117.16 111.28 1k2h n TYR 26 Ca 0.12 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 1k2h n TYR 26 Cb 0.01 -1.59 0.00 0.00 -0.31 0.00 0.00 39.34 37.45 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 -2.27 0.00 -3.57 -0.72 3.00 -0.85 -4.75 118.16 109.00 1k2h n LYS 27 Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.36 1k2h n LYS 27 Cb 0.61 -0.33 0.01 0.00 0.00 0.00 0.00 35.03 35.32 1k2h n LYS 27 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1k2h n LEU 28 N 0.00 0.00 -4.45 3.14 -0.00 -1.13 -4.64 117.00 109.92 1k2h n LEU 28 Ca 0.00 -0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 1k2h n LEU 28 Cb 0.00 1.15 0.01 0.00 -0.00 0.00 0.00 43.42 44.59 1k2h n LEU 28 CO 0.00 -0.00 0.03 -1.54 -0.00 0.00 0.00 177.39 175.88 1k2h n SER 29 N -0.77 -1.06 -0.25 1.45 3.41 -1.26 -2.17 113.62 112.98 1k2h n SER 29 Ca 0.05 0.86 -0.05 0.00 -0.26 0.00 0.00 58.87 59.47 1k2h n SER 29 Cb 0.44 -1.11 0.05 0.00 -0.26 0.00 0.00 64.21 63.33 1k2h n SER 29 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1k2h h LYS 30 N 0.64 0.91 -0.91 4.33 1.57 -1.46 -0.17 116.57 121.48 1k2h h LYS 30 Ca -0.42 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1k2h h LYS 30 Cb 1.40 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1k2h h LYS 30 CO 0.50 0.61 0.60 -0.22 -0.57 0.00 0.00 179.45 180.36 1k2h h LYS 31 N 0.94 1.20 0.00 3.15 1.63 -1.36 -2.52 116.57 119.60 1k2h h LYS 31 Ca 0.25 -0.08 -0.13 0.00 -0.85 0.00 0.00 60.65 59.84 1k2h h LYS 31 Cb -0.10 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 31.24 1k2h h LYS 31 CO -0.05 0.80 -0.74 1.49 -3.45 0.00 0.00 179.45 177.50 1k2h h GLU 32 N 1.23 0.00 -0.47 1.90 4.57 -1.77 -2.88 114.58 117.16 1k2h h GLU 32 Ca 0.33 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.49 1k2h h GLU 32 Cb -0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1k2h h GLU 32 CO -0.07 0.54 0.22 1.25 -1.18 0.00 0.00 179.01 179.77 1k2h h LEU 33 N 0.00 0.62 0.05 1.64 7.12 -0.61 -1.37 115.31 122.77 1k2h h LEU 33 Ca -0.03 -0.14 -0.24 0.00 0.13 0.00 0.00 57.88 57.60 1k2h h LEU 33 Cb 1.48 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 41.43 1k2h h LEU 33 CO 0.07 0.58 -1.19 0.50 -0.13 0.00 0.00 178.44 178.28 1k2h h LYS 34 N 0.62 0.10 -0.67 1.25 3.64 -1.58 -2.93 116.57 117.00 1k2h h LYS 34 Ca 0.16 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1k2h h LYS 34 Cb 0.13 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1k2h h LYS 34 CO -0.02 1.02 0.09 0.22 -2.27 0.00 0.00 179.45 178.49 1k2h h ASP 35 N 0.03 1.07 0.34 4.20 1.82 -1.42 0.23 116.42 122.69 1k2h h ASP 35 Ca -0.09 -0.27 -0.02 0.00 -0.39 0.00 0.00 57.03 56.26 1k2h h ASP 35 Cb 1.87 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 41.60 1k2h h ASP 35 CO 0.15 1.07 -0.16 0.25 -1.61 0.00 0.00 179.24 178.94 1k2h h LEU 36 N 1.04 -0.38 -1.35 2.28 5.85 -1.32 -3.05 115.31 118.37 1k2h h LEU 36 Ca 0.20 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1k2h h LEU 36 Cb 0.47 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1k2h h LEU 36 CO 0.02 0.00 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.90 1k2h h LEU 37 N -0.83 0.00 -1.84 2.25 4.07 -1.53 -2.09 115.31 115.34 1k2h h LEU 37 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1k2h h LEU 37 Cb 0.52 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1k2h h LEU 37 CO 0.08 0.15 0.11 -0.61 -1.08 0.00 0.00 178.44 177.08 1k2h h GLN 38 N 0.00 0.21 -0.20 1.13 5.75 -0.45 0.16 115.11 121.72 1k2h h GLN 38 Ca -0.00 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.35 1k2h h GLN 38 Cb 0.61 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1k2h h GLN 38 CO 0.02 0.14 -0.39 1.15 -2.65 0.00 0.00 178.83 177.10 1k2h h THR 39 N 0.22 1.33 0.00 2.39 2.02 -1.27 -1.76 112.91 115.83 1k2h h THR 39 Ca 0.06 -1.62 -0.04 0.00 0.77 0.00 0.00 66.41 65.58 1k2h h THR 39 Cb -0.02 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1k2h h THR 39 CO -0.01 0.50 -0.19 1.05 0.37 0.00 0.00 175.52 177.24 1k2h h GLU 40 N 0.29 0.00 -0.65 6.66 4.11 -1.42 -2.59 114.58 120.98 1k2h h GLU 40 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1k2h h GLU 40 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1k2h h GLU 40 CO 0.09 0.19 0.00 1.28 0.07 0.00 0.00 179.01 180.63 1k2h n LEU 41 N -3.21 4.74 -0.35 3.06 4.77 0.51 -4.37 117.00 122.15 1k2h n LEU 41 Ca 0.02 -2.40 -0.02 0.00 -0.03 0.00 0.00 56.01 53.58 1k2h n LEU 41 Cb 0.52 -0.63 0.13 0.00 -2.33 0.00 0.00 43.42 41.12 1k2h n LEU 41 CO 0.34 0.59 1.29 0.28 -1.33 0.00 0.00 177.39 178.56 1k2h h SER 42 N 3.35 1.11 1.61 -1.43 0.02 -0.90 -1.40 113.55 115.91 1k2h h SER 42 Ca 0.00 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 1k2h h SER 42 Cb 1.62 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 1k2h h SER 42 CO 0.36 0.80 -0.39 -1.28 -1.14 0.00 0.00 176.83 175.19 1k2h h SER 43 N 1.31 0.00 0.46 3.07 0.87 -1.83 -3.25 113.55 114.18 1k2h h SER 43 Ca 0.35 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1k2h h SER 43 Cb -0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1k2h h SER 43 CO -0.08 0.38 -0.22 -0.26 -0.53 0.00 0.00 176.83 176.12 1k2h h PHE 44 N 0.00 -0.57 0.00 2.24 0.04 -1.57 -2.61 116.94 114.48 1k2h h PHE 44 Ca -0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1k2h h PHE 44 Cb 1.29 0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.63 1k2h h PHE 44 CO 0.00 -0.29 0.00 1.47 -0.60 0.00 0.00 178.31 178.89 1k2h n LEU 45 N -5.19 0.04 -0.34 1.54 -0.00 -0.77 -2.96 117.00 109.32 1k2h n LEU 45 Ca -0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 1k2h n LEU 45 Cb 0.28 -0.02 0.17 0.00 -0.00 0.00 0.00 43.42 43.84 1k2h n LEU 45 CO 0.23 0.01 1.28 -0.78 -0.00 0.00 0.00 177.39 178.13 1k2h h ASP 46 N 0.07 1.05 -1.84 1.45 1.82 -1.49 -3.04 116.42 114.44 1k2h h ASP 46 Ca 0.00 -0.02 -0.54 0.00 -0.39 0.00 0.00 57.03 56.08 1k2h h ASP 46 Cb 0.02 -0.25 -0.41 0.00 0.68 0.00 0.00 39.33 39.37 1k2h h ASP 46 CO 0.00 0.73 -0.83 1.33 -1.61 0.00 0.00 179.24 178.86 1k2h n VAL 47 N -4.43 2.07 -1.28 2.25 0.24 -1.15 -5.01 118.33 111.02 1k2h n VAL 47 Ca 0.12 -4.90 -0.60 0.00 -2.04 0.00 0.00 64.34 56.92 1k2h n VAL 47 Cb 0.07 -0.91 -0.12 0.00 -1.47 0.00 0.00 33.84 31.42 1k2h n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k2h n GLN 48 N -0.21 0.00 -0.03 7.34 6.02 -1.15 -4.82 117.38 124.54 1k2h n GLN 48 Ca 0.30 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1k2h n GLN 48 Cb 0.57 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.33 1k2h n GLN 48 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1k2h h LYS 49 N 8.75 -0.00 -4.24 -1.09 1.79 0.48 -3.42 116.57 118.84 1k2h h LYS 49 Ca -0.12 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 57.60 1k2h h LYS 49 Cb 1.42 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.84 1k2h h LYS 49 CO 1.08 -0.00 -0.10 0.34 -1.08 0.00 0.00 179.45 179.69 1k2h s ASP 50 N -4.39 6.23 0.44 0.86 -1.08 -1.14 -4.88 116.67 112.72 1k2h s ASP 50 Ca -0.00 -1.76 0.27 0.00 -0.52 0.00 0.00 52.55 50.53 1k2h s ASP 50 Cb 0.00 -2.24 0.72 0.00 -1.46 0.00 0.00 42.92 39.95 1k2h s ASP 50 CO 0.00 -0.91 1.74 0.00 0.52 0.00 0.00 175.17 176.52 1k2h h ALA 51 N 8.89 1.00 -0.37 3.66 0.00 -1.86 -3.15 119.26 127.43 1k2h h ALA 51 Ca -0.27 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 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 1.04 0.00 -0.42 -0.44 0.00 0.00 0.00 179.25 179.43 1k2h h ASP 52 N 0.00 1.01 0.20 0.00 3.32 -1.98 -0.69 116.42 118.27 1k2h h ASP 52 Ca 0.00 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 1k2h h ASP 52 Cb 0.80 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1k2h h ASP 52 CO 0.00 1.28 -0.10 0.00 -1.72 0.00 0.00 179.24 178.70 1k2h h ALA 53 N 0.76 -0.27 -0.87 3.45 0.00 -1.93 -1.93 119.26 118.48 1k2h h ALA 53 Ca 0.05 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1k2h h ALA 53 Cb 1.02 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1k2h h ALA 53 CO 0.10 -0.50 0.57 0.28 0.00 0.00 0.00 179.25 179.70 1k2h h VAL 54 N -0.56 1.11 -1.00 0.00 2.07 -1.59 -1.56 116.25 114.72 1k2h h VAL 54 Ca -0.03 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1k2h h VAL 54 Cb 0.42 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 1k2h h VAL 54 CO 0.04 0.19 0.66 -0.78 0.02 0.00 0.00 177.57 177.71 1k2h h ASP 55 N 1.04 1.15 -0.84 0.57 1.82 -0.89 -1.75 116.42 117.52 1k2h h ASP 55 Ca 0.35 -0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.93 1k2h h ASP 55 Cb 0.09 -0.29 -0.04 0.00 0.68 0.00 0.00 39.33 39.78 1k2h h ASP 55 CO -0.11 0.83 0.38 0.50 -1.61 0.00 0.00 179.24 179.23 1k2h h LYS 56 N 1.36 1.22 -0.63 0.28 3.64 -0.48 -2.71 116.57 119.25 1k2h h LYS 56 Ca 0.37 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1k2h h LYS 56 Cb -0.16 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.42 1k2h h LYS 56 CO -0.08 0.96 0.33 0.82 -2.27 0.00 0.00 179.45 179.21 1k2h h ILE 57 N 1.20 1.20 0.00 2.00 5.03 -1.10 -1.83 117.51 124.02 1k2h h ILE 57 Ca 0.28 -0.53 -0.01 0.00 -0.12 0.00 0.00 64.86 64.49 1k2h h ILE 57 Cb 0.16 0.41 -0.00 0.00 -3.03 0.00 0.00 36.82 34.35 1k2h h ILE 57 CO -0.03 0.22 -0.04 0.24 -0.68 0.00 0.00 178.15 177.86 1k2h h MET 58 N 0.85 0.00 -0.68 2.37 2.86 -1.13 -2.14 114.93 117.06 1k2h h MET 58 Ca 0.22 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.78 1k2h h MET 58 Cb 0.06 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1k2h h MET 58 CO -0.03 0.04 0.10 -0.22 1.06 0.00 0.00 176.91 177.86 1k2h h LYS 59 N 0.00 1.12 -0.19 1.72 1.63 -1.12 -1.03 116.57 118.70 1k2h h LYS 59 Ca -0.00 -0.31 -0.19 0.00 -0.85 0.00 0.00 60.65 59.30 1k2h h LYS 59 Cb 0.08 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1k2h h LYS 59 CO 0.01 1.03 -0.62 0.93 -3.45 0.00 0.00 179.45 177.34 1k2h h GLU 60 N 1.05 0.76 0.00 1.90 5.08 -1.35 -1.29 114.58 120.73 1k2h h GLU 60 Ca 0.20 -0.56 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1k2h h GLU 60 Cb 0.45 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1k2h h GLU 60 CO 0.01 1.18 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.81 1k2h h LEU 61 N 0.49 0.00 0.04 1.33 3.38 -1.41 -2.83 115.31 116.30 1k2h h LEU 61 Ca -0.02 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.60 1k2h h LEU 61 Cb 1.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 1k2h h LEU 61 CO 0.13 0.33 -2.05 0.47 0.09 0.00 0.00 178.44 177.41 1k2h n ASP 62 N -3.64 1.28 -0.13 -0.43 8.00 -0.40 -0.70 116.55 120.54 1k2h n ASP 62 Ca -0.01 0.18 -0.06 0.00 0.71 0.00 0.00 54.79 55.62 1k2h n ASP 62 Cb 0.45 -0.17 0.12 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.85 -1.07 -1.24 4.11 -1.27 -3.34 114.58 112.64 1k2h h GLU 63 Ca -0.43 -0.26 -0.37 0.00 0.07 0.00 0.00 59.36 58.38 1k2h h GLU 63 Cb 2.05 -0.08 -0.32 0.00 0.50 0.00 0.00 28.75 30.90 1k2h h GLU 63 CO 0.05 0.88 -0.93 -1.71 0.07 0.00 0.00 179.01 177.36 1k2h n ASN 64 N -4.19 -0.04 0.22 3.06 2.85 -1.07 -4.92 115.26 111.17 1k2h n ASN 64 Ca 0.02 -3.01 0.13 0.00 -0.11 0.00 0.00 54.58 51.61 1k2h n ASN 64 Cb 0.33 0.15 0.70 0.00 1.24 0.00 0.00 39.78 42.21 1k2h n ASN 64 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1k2h h GLY 65 N 2.87 0.00 1.52 8.20 0.00 -1.05 0.29 103.07 114.91 1k2h h GLY 65 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1k2h h GLY 65 CO 0.35 0.00 -0.09 1.34 0.00 0.00 0.00 176.54 178.13 1k2h n ASP 66 N -2.45 0.17 -2.07 0.19 -0.08 -1.26 -1.17 116.55 109.88 1k2h n ASP 66 Ca -0.02 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1k2h n ASP 66 Cb 0.13 -0.25 0.00 0.00 2.34 0.00 0.00 41.12 43.34 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 1.40 -1.93 3.36 0.27 0.00 0.10 -4.72 105.19 103.67 1k2h n GLY 67 Ca 0.10 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 1.15 0.05 1.61 -1.05 -1.26 -3.22 118.70 115.98 1k2h s GLU 68 Ca 0.00 -0.61 0.02 0.00 -0.15 0.00 0.00 54.97 54.24 1k2h s GLU 68 Cb 0.00 0.52 -0.03 0.00 -0.44 0.00 0.00 34.13 34.18 1k2h s GLU 68 CO 0.00 -0.47 -0.08 0.14 0.95 0.00 0.00 175.26 175.79 1k2h s VAL 69 N -3.77 0.62 0.00 1.83 -7.23 -0.92 -4.74 120.40 106.19 1k2h s VAL 69 Ca 0.02 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 1k2h s VAL 69 Cb 0.01 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 36.13 1k2h s VAL 69 CO -0.12 -0.45 0.00 -0.67 -0.31 0.00 0.00 175.10 173.55 1k2h n ASP 70 N 1.21 0.45 -0.07 4.85 -0.08 -1.26 -2.00 116.55 119.65 1k2h n ASP 70 Ca -0.21 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 52.98 1k2h n ASP 70 Cb 0.56 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.99 1k2h n ASP 70 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1k2h h PHE 71 N 0.00 0.32 -0.07 -0.67 -0.00 -1.96 1.26 116.94 115.82 1k2h h PHE 71 Ca 0.00 0.01 -0.13 0.00 -0.00 0.00 0.00 57.97 57.85 1k2h h PHE 71 Cb 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 35.83 1k2h h PHE 71 CO 0.00 0.20 -0.53 0.37 -0.00 0.00 0.00 178.31 178.35 1k2h h GLN 72 N 0.34 0.18 0.06 6.09 -0.00 -1.98 -0.61 115.11 119.20 1k2h h GLN 72 Ca 0.10 -0.11 -0.27 0.00 -0.00 0.00 0.00 58.65 58.37 1k2h h GLN 72 Cb -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.44 1k2h h GLN 72 CO -0.03 0.67 -1.36 0.93 0.00 0.00 0.00 178.83 179.03 1k2h h GLU 73 N 0.14 0.13 -0.35 1.69 5.08 -1.85 -2.13 114.58 117.29 1k2h h GLU 73 Ca 0.00 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 57.99 1k2h h GLU 73 Cb 0.98 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1k2h h GLU 73 CO 0.08 0.98 -0.41 0.35 -1.00 0.00 0.00 179.01 179.01 1k2h h PHE 74 N 0.03 1.05 0.06 4.33 3.04 0.17 -2.01 116.94 123.62 1k2h h PHE 74 Ca -0.16 -0.32 -0.16 0.00 3.98 0.00 0.00 57.97 61.30 1k2h h PHE 74 Cb 1.93 -0.22 0.02 0.00 2.56 0.00 0.00 35.95 40.24 1k2h h PHE 74 CO 0.03 1.13 -0.68 0.28 -2.02 0.00 0.00 178.31 177.05 1k2h h VAL 75 N 0.71 1.47 -0.26 1.41 2.07 -1.18 -2.54 116.25 117.94 1k2h h VAL 75 Ca 0.05 -2.29 -0.17 0.00 0.82 0.00 0.00 66.70 65.11 1k2h h VAL 75 Cb 0.99 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 1k2h h VAL 75 CO 0.10 0.65 -0.51 0.58 0.02 0.00 0.00 177.57 178.41 1k2h h VAL 76 N -0.25 1.29 -0.29 2.57 2.07 -1.45 -1.52 116.25 118.67 1k2h h VAL 76 Ca -0.10 -1.71 -0.19 0.00 0.82 0.00 0.00 66.70 65.52 1k2h h VAL 76 Cb 1.45 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1k2h h VAL 76 CO 0.13 0.55 -0.55 0.25 0.02 0.00 0.00 177.57 177.97 1k2h h LEU 77 N 0.55 0.99 -0.31 2.57 5.85 -1.49 -2.14 115.31 121.33 1k2h h LEU 77 Ca 0.01 -0.53 -0.19 0.00 0.84 0.00 0.00 57.88 58.01 1k2h h LEU 77 Cb 1.12 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1k2h h LEU 77 CO 0.11 1.33 -0.58 0.58 -0.34 0.00 0.00 178.44 179.54 1k2h h VAL 78 N 0.68 1.28 -0.78 1.05 2.07 -1.48 -1.66 116.25 117.41 1k2h h VAL 78 Ca 0.02 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 1k2h h VAL 78 Cb 1.16 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1k2h h VAL 78 CO 0.12 0.57 0.45 0.00 0.02 0.00 0.00 177.57 178.74 1k2h h ALA 79 N 0.71 1.32 -1.00 1.67 0.00 -1.28 -0.24 119.26 120.44 1k2h h ALA 79 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1k2h h ALA 79 Cb 1.19 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1k2h h ALA 79 CO 0.13 0.57 0.65 0.00 0.00 0.00 0.00 179.25 180.59 1k2h h ALA 80 N 1.41 1.27 -0.54 0.00 0.00 -1.03 -0.64 119.26 119.72 1k2h h ALA 80 Ca 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1k2h h ALA 80 Cb -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1k2h h ALA 80 CO -0.05 0.67 0.27 1.25 0.00 0.00 0.00 179.25 181.39 1k2h h LEU 81 N 1.36 0.68 -1.90 0.00 6.46 -0.11 -0.47 115.31 121.33 1k2h h LEU 81 Ca 0.36 -0.06 0.04 0.00 -0.12 0.00 0.00 57.88 58.11 1k2h h LEU 81 Cb -0.14 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.61 1k2h h LEU 81 CO -0.08 0.57 0.16 0.74 -0.62 0.00 0.00 178.44 179.22 1k2h h THR 82 N 0.76 0.95 -0.87 1.05 2.02 -0.38 -0.66 112.91 115.77 1k2h h THR 82 Ca 0.19 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.34 1k2h h THR 82 Cb 0.06 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1k2h h THR 82 CO -0.03 0.02 0.58 0.58 0.37 0.00 0.00 175.52 177.04 1k2h h VAL 83 N 0.13 1.22 0.00 3.16 2.07 -0.91 2.48 116.25 124.40 1k2h h VAL 83 Ca 0.11 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 1k2h h VAL 83 Cb 0.27 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1k2h h VAL 83 CO -0.01 0.22 -0.40 0.00 0.02 0.00 0.00 177.57 177.39 1k2h h ALA 84 N 1.32 1.01 -0.48 1.67 0.00 -1.17 -3.14 119.26 118.46 1k2h h ALA 84 Ca 0.32 -0.37 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 1k2h h ALA 84 Cb -0.14 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 17.30 1k2h h ALA 84 CO -0.07 0.51 -0.73 0.00 0.00 0.00 0.00 179.25 178.96 1k2h n ASN 86 N -0.82 0.00 -4.63 0.00 5.15 0.82 -4.74 115.26 111.04 1k2h n ASN 86 Ca 0.34 -0.39 -0.49 0.00 -0.60 0.00 0.00 54.58 53.44 1k2h n ASN 86 Cb 0.88 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 40.08 1k2h n ASN 86 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1k2h n ASN 87 N -0.91 2.35 -0.07 1.20 2.04 -1.26 -4.87 115.26 113.73 1k2h n ASN 87 Ca 0.07 1.11 -0.08 0.00 -0.44 0.00 0.00 54.58 55.24 1k2h n ASN 87 Cb 0.03 -1.31 -0.09 0.00 -2.53 0.00 0.00 39.78 35.87 1k2h n ASN 87 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1k2h n PHE 88 N 2.81 0.00 0.05 -2.53 3.72 -1.26 -4.60 117.46 115.64 1k2h n PHE 88 Ca 0.17 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.61 1k2h n PHE 88 Cb 0.25 -0.62 -0.07 0.00 -0.94 0.00 0.00 39.48 38.10 1k2h n PHE 88 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 1k2h n PHE 89 N -2.61 0.88 -3.24 1.38 -1.74 -1.26 -5.01 117.46 105.85 1k2h n PHE 89 Ca -0.23 0.28 -0.27 0.00 -0.56 0.00 0.00 57.45 56.67 1k2h n PHE 89 Cb 0.88 -1.01 0.02 0.00 1.52 0.00 0.00 39.48 40.89 1k2h n PHE 89 CO 0.00 0.00 0.00 -2.67 -0.56 0.00 0.00 176.76 173.53 1k2h n TRP 90 N -2.77 -1.93 0.06 2.97 2.14 -1.26 -4.77 117.44 111.87 1k2h n TRP 90 Ca -0.07 0.81 0.05 0.00 2.07 0.00 0.00 57.50 60.35 1k2h n TRP 90 Cb 0.74 -1.73 0.48 0.00 -0.81 0.00 0.00 31.31 29.99 1k2h n TRP 90 CO 0.00 0.00 0.00 1.05 2.07 0.00 0.00 177.69 180.81 1k2h h GLU 91 N 0.96 0.41 -6.66 -2.67 4.11 -2.00 -3.41 114.58 105.32 1k2h h GLU 91 Ca -0.49 -0.02 -0.53 0.00 0.07 0.00 0.00 59.36 58.39 1k2h h GLU 91 Cb 1.14 -0.09 0.04 0.00 0.50 0.00 0.00 28.75 30.33 1k2h h GLU 91 CO 0.23 0.27 0.71 1.21 0.07 0.00 0.00 179.01 181.50 1k2h s ASN 92 N -6.78 6.80 0.00 3.06 3.84 -1.26 -5.20 114.94 115.40 1k2h s ASN 92 Ca -0.07 2.46 0.00 0.00 0.21 0.00 0.00 52.86 55.46 1k2h s ASN 92 Cb 0.17 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 1k2h s ASN 92 CO 0.72 -0.62 0.00 -1.20 -2.79 0.00 0.00 177.10 173.21