#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6y n LEU 2 N 0.00 5.76 -1.65 4.37 4.77 -1.26 -3.82 117.00 125.17 1k6y n LEU 2 Ca 0.00 -3.57 -0.20 0.00 -0.03 0.00 0.00 56.01 52.22 1k6y n LEU 2 Cb 0.00 -1.39 -0.07 0.00 -2.33 0.00 0.00 43.42 39.63 1k6y n LEU 2 CO 0.00 0.56 -0.20 0.47 -1.33 0.00 0.00 177.39 176.89 1k6y n ASP 3 N 6.31 -5.43 -0.03 -1.43 8.00 -1.26 -4.85 116.55 117.86 1k6y n ASP 3 Ca 0.52 0.40 -0.07 0.00 0.71 0.00 0.00 54.79 56.35 1k6y n ASP 3 Cb 0.36 -4.63 0.10 0.00 -0.02 0.00 0.00 41.12 36.93 1k6y n ASP 3 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1k6y h GLY 4 N 0.00 0.69 0.56 0.44 0.00 -1.87 -2.69 103.07 100.19 1k6y h GLY 4 Ca -0.42 -0.65 0.12 0.00 0.00 0.00 0.00 47.33 46.38 1k6y h GLY 4 CO 0.59 0.59 0.60 -2.22 0.00 0.00 0.00 176.54 176.10 1k6y h ILE 5 N 0.53 0.92 0.53 2.60 2.04 -1.89 0.20 117.51 122.44 1k6y h ILE 5 Ca 0.06 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1k6y h ILE 5 Cb 0.85 -0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1k6y h ILE 5 CO 0.07 0.16 -0.26 0.44 0.00 0.00 0.00 178.15 178.57 1k6y h ASP 6 N 0.89 -0.61 -0.39 1.72 5.19 -1.87 -0.40 116.42 120.96 1k6y h ASP 6 Ca 0.46 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.86 1k6y h ASP 6 Cb 0.52 0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 1k6y h ASP 6 CO -0.22 -0.43 0.12 0.11 -3.12 0.00 0.00 179.24 175.69 1k6y h LYS 7 N -0.71 0.60 -0.89 3.56 1.57 -1.18 -2.24 116.57 117.27 1k6y h LYS 7 Ca -0.07 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1k6y h LYS 7 Cb 0.55 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 1k6y h LYS 7 CO 0.12 0.61 0.59 0.00 -0.57 0.00 0.00 179.45 180.19 1k6y h ALA 8 N 0.97 1.16 -0.60 3.86 0.00 -0.60 -0.22 119.26 123.83 1k6y h ALA 8 Ca 0.12 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1k6y h ALA 8 Cb 0.26 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1k6y h ALA 8 CO -0.00 0.48 0.08 0.37 0.00 0.00 0.00 179.25 180.18 1k6y h GLN 9 N 1.16 0.97 0.37 0.00 4.15 -0.93 -0.09 115.11 120.75 1k6y h GLN 9 Ca 0.34 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1k6y h GLN 9 Cb -0.06 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1k6y h GLN 9 CO -0.10 0.91 -0.18 1.49 -1.93 0.00 0.00 178.83 179.02 1k6y h GLU 10 N 0.92 -0.48 -0.69 1.69 4.81 -0.75 -2.57 114.58 117.51 1k6y h GLU 10 Ca 0.18 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.54 1k6y h GLU 10 Cb 0.42 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1k6y h GLU 10 CO 0.01 -0.18 0.46 1.49 -0.73 0.00 0.00 179.01 180.06 1k6y h GLU 11 N -0.77 0.55 -0.36 1.92 4.81 -0.94 -1.67 114.58 118.12 1k6y h GLU 11 Ca -0.05 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1k6y h GLU 11 Cb 0.52 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1k6y h GLU 11 CO 0.08 0.36 -0.12 1.25 -0.73 0.00 0.00 179.01 179.86 1k6y h HIS 12 N 0.56 0.67 -0.56 0.92 2.76 -0.82 0.18 115.15 118.87 1k6y h HIS 12 Ca 0.32 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1k6y h HIS 12 Cb 0.49 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 1k6y h HIS 12 CO -0.00 0.72 0.37 0.93 -1.30 0.00 0.00 177.93 178.65 1k6y h GLU 13 N 0.57 0.73 0.00 5.26 5.08 -0.89 0.49 114.58 125.81 1k6y h GLU 13 Ca 0.10 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1k6y h GLU 13 Cb 0.54 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1k6y h GLU 13 CO 0.03 0.48 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.04 1k6y h LYS 14 N 0.75 0.00 0.00 2.33 3.64 -1.42 -3.41 116.57 118.45 1k6y h LYS 14 Ca 0.21 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1k6y h LYS 14 Cb -0.07 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1k6y h LYS 14 CO -0.05 0.20 -1.19 0.66 -2.27 0.00 0.00 179.45 176.81 1k6y n TYR 15 N -4.68 0.85 -3.58 1.91 4.01 0.57 -4.98 117.16 111.26 1k6y n TYR 15 Ca -0.06 0.25 -0.20 0.00 -0.16 0.00 0.00 57.90 57.73 1k6y n TYR 15 Cb 0.20 -0.92 0.06 0.00 -0.31 0.00 0.00 39.34 38.37 1k6y n TYR 15 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1k6y n HIS 16 N -2.65 -2.05 -2.05 -0.72 8.25 0.17 -4.90 115.22 111.27 1k6y n HIS 16 Ca -0.02 0.89 -0.37 0.00 -0.26 0.00 0.00 57.72 57.96 1k6y n HIS 16 Cb 0.59 -4.70 0.02 0.00 1.12 0.00 0.00 29.99 27.01 1k6y n HIS 16 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1k6y s SER 17 N -4.34 5.66 0.75 0.41 0.01 -1.26 -5.01 113.70 109.92 1k6y s SER 17 Ca 0.02 2.48 -0.15 0.00 1.31 0.00 0.00 55.95 59.60 1k6y s SER 17 Cb -0.01 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.61 1k6y s SER 17 CO 0.77 -1.28 0.85 -3.20 0.41 0.00 0.00 173.24 170.79 1k6y n ASN 18 N -0.91 -0.05 0.04 2.44 5.15 -1.26 -4.80 115.26 115.87 1k6y n ASN 18 Ca 0.10 0.62 -0.05 0.00 -0.60 0.00 0.00 54.58 54.65 1k6y n ASN 18 Cb 0.47 -1.36 0.16 0.00 -0.53 0.00 0.00 39.78 38.53 1k6y n ASN 18 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 1k6y h TRP 19 N -0.45 0.47 -0.78 1.20 5.08 -1.95 -1.98 115.95 117.55 1k6y h TRP 19 Ca -0.46 -0.13 -0.02 0.00 1.08 0.00 0.00 58.89 59.35 1k6y h TRP 19 Cb 1.33 -0.10 -0.04 0.00 -3.00 0.00 0.00 29.16 27.35 1k6y h TRP 19 CO 0.39 0.75 0.39 -0.09 -1.28 0.00 0.00 178.44 178.60 1k6y h ARG 20 N 0.33 1.11 -0.20 0.12 9.65 -1.91 -0.64 114.38 122.84 1k6y h ARG 20 Ca 0.03 -0.15 -0.04 0.00 -1.10 0.00 0.00 59.98 58.72 1k6y h ARG 20 Cb 0.86 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 1k6y h ARG 20 CO 0.07 0.85 -0.01 0.00 2.80 0.00 0.00 179.97 183.67 1k6y h ALA 21 N 1.20 0.28 -0.23 2.80 0.00 -1.85 -2.12 119.26 119.33 1k6y h ALA 21 Ca 0.27 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1k6y h ALA 21 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1k6y h ALA 21 CO -0.04 0.01 -0.31 0.52 0.00 0.00 0.00 179.25 179.44 1k6y h MET 22 N 0.12 0.48 -0.40 0.00 2.86 -1.21 0.57 114.93 117.34 1k6y h MET 22 Ca 0.06 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1k6y h MET 22 Cb 0.43 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1k6y h MET 22 CO 0.01 0.73 0.15 0.00 1.06 0.00 0.00 176.91 178.87 1k6y h ALA 23 N 1.26 0.52 0.00 6.32 0.00 -1.08 -0.71 119.26 125.57 1k6y h ALA 23 Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k6y h ALA 23 Cb 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1k6y h ALA 23 CO 0.06 0.13 -0.00 1.03 0.00 0.00 0.00 179.25 180.47 1k6y h SER 24 N 0.50 -0.00 0.37 0.00 0.87 -1.15 -1.32 113.55 112.82 1k6y h SER 24 Ca 0.13 -0.67 -0.05 0.00 -1.23 0.00 0.00 61.79 59.97 1k6y h SER 24 Cb 0.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1k6y h SER 24 CO -0.01 0.67 -0.26 0.44 -0.53 0.00 0.00 176.83 177.14 1k6y h ASP 25 N -0.68 0.00 -0.03 6.23 5.19 0.12 -3.23 116.42 124.02 1k6y h ASP 25 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1k6y h ASP 25 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1k6y h ASP 25 CO 0.00 0.26 0.00 0.49 -3.12 0.00 0.00 179.24 176.87 1k6y n PHE 26 N -3.99 0.05 -3.74 4.55 3.01 -0.28 -5.02 117.46 112.05 1k6y n PHE 26 Ca -0.02 -0.56 -0.23 0.00 1.01 0.00 0.00 57.45 57.65 1k6y n PHE 26 Cb 0.33 -0.06 0.02 0.00 -0.01 0.00 0.00 39.48 39.76 1k6y n PHE 26 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1k6y n ASN 27 N -0.50 -1.66 -4.56 4.37 3.02 -0.59 -4.09 115.26 111.26 1k6y n ASN 27 Ca 0.03 -0.89 -0.31 0.00 -0.03 0.00 0.00 54.58 53.39 1k6y n ASN 27 Cb 0.31 -3.77 -0.11 0.00 -0.61 0.00 0.00 39.78 35.61 1k6y n ASN 27 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k6y s LEU 28 N -6.67 2.99 0.45 3.41 1.43 -0.67 -3.46 118.68 116.16 1k6y s LEU 28 Ca 0.08 -0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 52.60 1k6y s LEU 28 Cb -0.02 -1.77 -0.08 0.00 0.03 0.00 0.00 46.19 44.35 1k6y s LEU 28 CO 0.83 0.22 1.33 -2.16 0.23 0.00 0.00 176.35 176.81 1k6y s PRO 29 N -1.83 3.73 0.48 1.29 0.04 -1.26 -4.54 135.00 132.92 1k6y s PRO 29 Ca 0.19 2.21 0.27 0.00 0.04 0.00 0.00 61.00 63.71 1k6y s PRO 29 Cb -0.11 -2.61 1.33 0.00 0.04 0.00 0.00 34.50 33.15 1k6y s PRO 29 CO 0.10 -0.70 1.83 -1.00 0.04 0.00 0.00 177.00 177.26 1k6y h PRO 30 N 2.32 0.17 -0.33 0.56 0.13 -1.93 -0.98 132.00 131.95 1k6y h PRO 30 Ca -0.50 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 1k6y h PRO 30 Cb 1.26 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1k6y h PRO 30 CO 0.61 0.11 -0.17 -0.24 -0.23 0.00 0.00 178.00 178.09 1k6y h VAL 31 N 0.18 1.25 -0.22 1.56 3.04 -1.98 0.69 116.25 120.77 1k6y h VAL 31 Ca 0.52 -1.17 -0.09 0.00 -1.01 0.00 0.00 66.70 64.95 1k6y h VAL 31 Cb 1.72 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 32.18 1k6y h VAL 31 CO -0.12 0.39 -0.23 0.58 -1.01 0.00 0.00 177.57 177.18 1k6y h VAL 32 N 0.54 1.32 -0.73 1.51 2.07 -1.55 -2.47 116.25 116.95 1k6y h VAL 32 Ca 0.09 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 1k6y h VAL 32 Cb 0.60 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1k6y h VAL 32 CO 0.04 0.43 0.42 0.00 0.02 0.00 0.00 177.57 178.48 1k6y h ALA 33 N 0.65 0.93 -0.24 1.67 0.00 -1.19 -1.66 119.26 119.43 1k6y h ALA 33 Ca 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1k6y h ALA 33 Cb 0.78 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1k6y h ALA 33 CO 0.06 0.42 0.06 0.87 0.00 0.00 0.00 179.25 180.66 1k6y h LYS 34 N 1.00 0.34 -0.48 0.00 1.57 -0.82 -2.06 116.57 116.12 1k6y h LYS 34 Ca 0.26 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1k6y h LYS 34 Cb -0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1k6y h LYS 34 CO -0.05 0.31 -0.09 0.93 -0.57 0.00 0.00 179.45 179.99 1k6y h GLU 35 N 0.34 0.86 -0.54 3.15 4.39 -0.83 -1.14 114.58 120.81 1k6y h GLU 35 Ca 0.08 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1k6y h GLU 35 Cb 0.13 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1k6y h GLU 35 CO -0.00 0.92 0.35 0.82 -1.16 0.00 0.00 179.01 179.94 1k6y h ILE 36 N 0.78 1.14 -0.51 3.13 2.04 -0.93 0.12 117.51 123.28 1k6y h ILE 36 Ca 0.13 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 1k6y h ILE 36 Cb 0.60 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1k6y h ILE 36 CO 0.04 0.14 0.03 0.58 0.00 0.00 0.00 178.15 178.93 1k6y h VAL 37 N 0.73 1.24 -0.06 1.67 2.07 -1.25 -1.99 116.25 118.66 1k6y h VAL 37 Ca 0.20 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 1k6y h VAL 37 Cb -0.08 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1k6y h VAL 37 CO -0.04 0.35 -0.36 0.00 0.02 0.00 0.00 177.57 177.54 1k6y h ALA 38 N 1.24 1.28 -0.13 1.67 0.00 -0.38 -2.94 119.26 120.00 1k6y h ALA 38 Ca 0.16 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1k6y h ALA 38 Cb 0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1k6y h ALA 38 CO 0.02 0.51 -0.69 0.77 0.00 0.00 0.00 179.25 179.85 1k6y h SER 39 N 0.11 0.64 -2.73 0.00 0.02 -0.29 -3.44 113.55 107.86 1k6y h SER 39 Ca 0.01 -0.40 -0.52 0.00 -0.84 0.00 0.00 61.79 60.04 1k6y h SER 39 Cb 0.70 -0.19 0.04 0.00 0.14 0.00 0.00 62.40 63.10 1k6y h SER 39 CO 0.05 1.15 0.95 0.00 -1.14 0.00 0.00 176.83 177.84 1k6y n ASP 41 N 4.32 1.24 -0.38 0.00 8.00 -1.26 -3.44 116.55 125.03 1k6y n ASP 41 Ca 0.15 -1.87 0.06 0.00 0.71 0.00 0.00 54.79 53.84 1k6y n ASP 41 Cb 0.38 -0.13 0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1k6y n ASP 41 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1k6y n LYS 42 N 0.13 1.20 -1.90 -1.24 5.02 -1.26 -5.03 118.16 115.08 1k6y n LYS 42 Ca 0.11 -0.97 0.00 0.00 -2.02 0.00 0.00 58.31 55.43 1k6y n LYS 42 Cb 0.22 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1k6y n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k6y s GLN 44 N -1.85 0.21 0.40 0.00 -2.07 -1.26 -4.96 119.66 110.14 1k6y s GLN 44 Ca 0.00 0.29 -0.26 0.00 -1.82 0.00 0.00 55.36 53.57 1k6y s GLN 44 Cb 0.00 0.08 -0.09 0.00 -1.09 0.00 0.00 33.01 31.91 1k6y s GLN 44 CO 0.00 -0.03 1.32 -0.51 -1.32 0.00 0.00 175.29 174.75 1k6y s LEU 45 N 0.52 4.22 -0.29 2.60 1.43 -1.26 -5.06 118.68 120.84 1k6y s LEU 45 Ca 0.00 2.69 -0.15 0.00 -1.03 0.00 0.00 54.13 55.64 1k6y s LEU 45 Cb -0.04 -3.88 0.11 0.00 0.03 0.00 0.00 46.19 42.41 1k6y s LEU 45 CO -0.12 -0.86 0.82 -0.75 0.23 0.00 0.00 176.35 175.67 1k6y s LYS 46 N -2.22 0.54 0.26 1.70 2.36 -1.26 -5.18 119.74 115.95 1k6y s LYS 46 Ca 0.56 0.99 0.00 0.00 -2.55 0.00 0.00 55.97 54.97 1k6y s LYS 46 Cb -0.39 0.19 0.00 0.00 -1.05 0.00 0.00 37.83 36.58 1k6y s LYS 46 CO 0.50 -0.12 0.00 0.00 1.55 0.00 0.00 175.35 177.28 1k6y s SER 57 N -2.87 6.68 0.00 0.00 0.15 -1.26 -4.80 113.70 111.60 1k6y s SER 57 Ca 0.00 2.65 0.06 0.00 0.70 0.00 0.00 55.95 59.37 1k6y s SER 57 Cb 0.00 -2.62 0.33 0.00 -1.71 0.00 0.00 66.02 62.01 1k6y s SER 57 CO 0.00 -0.68 1.03 -0.81 1.20 0.00 0.00 173.24 173.98 1k6y n PRO 58 N 2.21 0.10 -0.11 5.44 -0.04 -1.26 -2.21 135.00 139.13 1k6y n PRO 58 Ca 0.06 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.81 1k6y n PRO 58 Cb 0.40 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.51 1k6y n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k6y n GLY 59 N -0.73 1.26 3.69 0.55 0.00 -1.26 -4.95 105.19 103.74 1k6y n GLY 59 Ca 0.03 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 1k6y n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k6y s ILE 60 N -1.30 5.14 0.14 -0.61 1.09 -0.94 -1.54 121.20 123.17 1k6y s ILE 60 Ca 0.28 0.95 0.08 0.00 -1.10 0.00 0.00 60.65 60.86 1k6y s ILE 60 Cb 0.17 -3.83 -0.04 0.00 -1.06 0.00 0.00 42.46 37.70 1k6y s ILE 60 CO 0.24 0.24 -0.19 0.26 -0.10 0.00 0.00 174.94 175.39 1k6y s TRP 61 N 1.20 1.77 -0.06 3.97 0.52 -0.18 -2.68 118.94 123.48 1k6y s TRP 61 Ca 0.25 -0.46 0.05 0.00 0.02 0.00 0.00 56.10 55.96 1k6y s TRP 61 Cb -0.15 -0.92 -0.01 0.00 -1.15 0.00 0.00 33.47 31.24 1k6y s TRP 61 CO 0.10 0.27 -0.23 -0.65 0.02 0.00 0.00 176.95 176.45 1k6y s GLN 62 N -2.44 2.49 0.13 4.98 -0.21 -0.12 -0.38 119.66 124.11 1k6y s GLN 62 Ca 0.11 -0.83 0.11 0.00 0.02 0.00 0.00 55.36 54.77 1k6y s GLN 62 Cb -0.07 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.84 1k6y s GLN 62 CO 0.05 0.30 -0.26 -0.51 -2.12 0.00 0.00 175.29 172.75 1k6y s LEU 63 N 0.01 2.32 -0.07 2.90 1.02 -0.51 0.07 118.68 124.43 1k6y s LEU 63 Ca -0.07 -0.75 -0.30 0.00 0.02 0.00 0.00 54.13 53.03 1k6y s LEU 63 Cb -0.14 -1.19 0.11 0.00 0.02 0.00 0.00 46.19 44.99 1k6y s LEU 63 CO 0.05 0.17 0.94 -0.62 0.02 0.00 0.00 176.35 176.91 1k6y s ASP 64 N -2.08 -0.35 -0.14 2.29 -1.08 -0.85 -4.38 116.67 110.08 1k6y s ASP 64 Ca 0.14 0.14 -0.04 0.00 -0.52 0.00 0.00 52.55 52.27 1k6y s ASP 64 Cb -0.10 0.34 -0.03 0.00 -1.46 0.00 0.00 42.92 41.67 1k6y s ASP 64 CO 0.06 -0.50 -0.02 0.00 0.52 0.00 0.00 175.17 175.23 1k6y s THR 66 N 0.07 1.87 0.03 0.00 -1.32 -0.18 -4.97 115.64 111.13 1k6y s THR 66 Ca 0.01 -2.24 0.06 0.00 -1.21 0.00 0.00 61.69 58.31 1k6y s THR 66 Cb -0.13 -2.16 -0.02 0.00 -1.51 0.00 0.00 72.50 68.68 1k6y s THR 66 CO 0.02 -0.51 -0.18 -1.00 -2.21 0.00 0.00 174.62 170.74 1k6y s HIS 67 N -2.89 1.61 -0.21 9.09 3.76 -1.26 -0.74 115.29 124.66 1k6y s HIS 67 Ca 0.25 -0.35 -0.18 0.00 -0.15 0.00 0.00 55.06 54.63 1k6y s HIS 67 Cb -0.01 -0.98 0.05 0.00 1.11 0.00 0.00 32.58 32.76 1k6y s HIS 67 CO 0.09 0.05 0.54 -0.51 -0.85 0.00 0.00 174.74 174.06 1k6y s LEU 68 N -0.96 -0.12 -1.35 0.89 1.43 -1.04 -4.95 118.68 112.58 1k6y s LEU 68 Ca 0.06 1.11 -0.14 0.00 -1.03 0.00 0.00 54.13 54.13 1k6y s LEU 68 Cb -0.08 1.87 0.12 0.00 0.03 0.00 0.00 46.19 48.13 1k6y s LEU 68 CO 0.01 -0.19 0.52 -0.62 0.23 0.00 0.00 176.35 176.30 1k6y n GLU 69 N 2.93 -2.67 -1.21 1.70 1.02 -1.26 -0.10 120.64 121.05 1k6y n GLU 69 Ca -0.14 0.31 -0.07 0.00 -0.02 0.00 0.00 57.16 57.24 1k6y n GLU 69 Cb 0.56 -4.97 -0.03 0.00 -0.02 0.00 0.00 31.44 26.98 1k6y n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k6y n GLY 70 N -1.11 0.93 3.48 0.62 0.00 -1.26 -5.02 105.19 102.83 1k6y n GLY 70 Ca 0.04 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 1k6y n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k6y s LYS 71 N -2.52 1.66 -0.15 1.61 1.02 0.85 -5.14 119.74 117.08 1k6y s LYS 71 Ca 0.00 -1.85 -0.04 0.00 0.02 0.00 0.00 55.97 54.10 1k6y s LYS 71 Cb 0.00 -1.37 -0.03 0.00 -0.52 0.00 0.00 37.83 35.91 1k6y s LYS 71 CO 0.00 0.08 -0.03 0.08 -0.92 0.00 0.00 175.35 174.56 1k6y s VAL 72 N -2.85 4.00 -0.19 3.17 1.01 -1.26 -2.50 120.40 121.77 1k6y s VAL 72 Ca 0.31 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1k6y s VAL 72 Cb 0.03 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.69 1k6y s VAL 72 CO 0.14 0.50 -0.15 -0.63 0.00 0.00 0.00 175.10 174.95 1k6y s ILE 73 N 0.28 1.92 -0.19 2.22 1.01 0.08 -1.12 121.20 125.40 1k6y s ILE 73 Ca -0.02 -1.04 -0.21 0.00 0.00 0.00 0.00 60.65 59.38 1k6y s ILE 73 Cb -0.14 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1k6y s ILE 73 CO 0.03 0.34 0.62 -0.22 0.00 0.00 0.00 174.94 175.71 1k6y s LEU 74 N 1.31 4.16 -0.05 2.97 2.96 0.19 -1.01 118.68 129.20 1k6y s LEU 74 Ca 0.01 0.84 0.06 0.00 -0.22 0.00 0.00 54.13 54.82 1k6y s LEU 74 Cb -0.15 -2.88 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 1k6y s LEU 74 CO -0.10 -0.25 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.74 1k6y s VAL 75 N 1.80 1.97 -0.08 1.68 1.01 -0.22 -1.07 120.40 125.49 1k6y s VAL 75 Ca 0.29 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1k6y s VAL 75 Cb -0.16 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1k6y s VAL 75 CO 0.11 0.55 -0.21 0.00 0.00 0.00 0.00 175.10 175.55 1k6y s ALA 76 N -0.25 1.89 -0.11 5.51 0.00 0.15 -2.00 121.76 126.95 1k6y s ALA 76 Ca -0.00 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1k6y s ALA 76 Cb -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1k6y s ALA 76 CO 0.02 0.27 -0.23 0.08 0.00 0.00 0.00 175.76 175.90 1k6y s VAL 77 N 0.31 2.08 -0.71 0.00 1.01 0.11 -1.52 120.40 121.69 1k6y s VAL 77 Ca -0.14 -1.00 -0.24 0.00 0.00 0.00 0.00 61.98 60.59 1k6y s VAL 77 Cb -0.16 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.47 1k6y s VAL 77 CO 0.06 0.56 1.12 -2.28 0.00 0.00 0.00 175.10 174.56 1k6y s HIS 78 N 0.47 2.52 0.29 5.22 2.46 -0.01 -0.95 115.29 125.29 1k6y s HIS 78 Ca -0.16 -0.37 0.01 0.00 0.47 0.00 0.00 55.06 55.01 1k6y s HIS 78 Cb -0.17 -4.45 0.68 0.00 -0.13 0.00 0.00 32.58 28.51 1k6y s HIS 78 CO 0.06 -1.83 1.63 0.28 -2.47 0.00 0.00 174.74 172.40 1k6y h VAL 79 N 6.02 0.25 0.00 0.89 2.07 -1.83 0.15 116.25 123.81 1k6y h VAL 79 Ca -0.26 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1k6y h VAL 79 Cb 1.06 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1k6y h VAL 79 CO 1.23 0.03 -0.53 0.00 0.02 0.00 0.00 177.57 178.32 1k6y h ALA 80 N 1.81 1.08 0.00 1.67 0.00 -1.82 -3.36 119.26 118.64 1k6y h ALA 80 Ca 0.54 -0.48 -0.29 0.00 0.00 0.00 0.00 54.91 54.67 1k6y h ALA 80 Cb 1.08 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1k6y h ALA 80 CO -0.71 0.66 -2.11 -1.13 0.00 0.00 0.00 179.25 175.96 1k6y n SER 81 N -3.84 1.53 0.00 0.00 3.41 -0.63 -4.99 113.62 109.09 1k6y n SER 81 Ca -0.01 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1k6y n SER 81 Cb 0.55 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 1k6y n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k6y n GLY 82 N 2.19 0.63 3.72 5.00 0.00 0.45 -4.64 105.19 112.54 1k6y n GLY 82 Ca -0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1k6y n GLY 82 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k6y s TYR 83 N -2.33 3.08 0.23 1.61 5.04 -1.24 -4.78 117.35 118.95 1k6y s TYR 83 Ca 0.00 0.77 0.10 0.00 -2.44 0.00 0.00 57.07 55.50 1k6y s TYR 83 Cb 0.00 -3.86 -0.04 0.00 0.35 0.00 0.00 41.96 38.40 1k6y s TYR 83 CO 0.00 -3.08 -0.08 0.42 -1.34 0.00 0.00 175.55 171.47 1k6y s ILE 84 N 0.87 3.19 -0.14 3.14 1.01 -1.26 -0.83 121.20 127.18 1k6y s ILE 84 Ca 0.67 -1.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.39 1k6y s ILE 84 Cb -0.42 -2.64 0.06 0.00 0.01 0.00 0.00 42.46 39.46 1k6y s ILE 84 CO 0.34 -0.25 0.33 -0.70 0.00 0.00 0.00 174.94 174.66 1k6y s GLU 85 N -3.23 0.29 0.08 2.79 2.12 -0.57 -4.95 118.70 115.24 1k6y s GLU 85 Ca 0.28 0.69 -0.06 0.00 0.36 0.00 0.00 54.97 56.24 1k6y s GLU 85 Cb -0.07 -0.05 -0.02 0.00 0.26 0.00 0.00 34.13 34.25 1k6y s GLU 85 CO 0.17 -0.17 0.11 0.00 -0.54 0.00 0.00 175.26 174.83 1k6y s ALA 86 N 1.47 0.12 -0.24 6.30 0.00 -1.26 0.31 121.76 128.46 1k6y s ALA 86 Ca -0.08 -0.90 -0.26 0.00 0.00 0.00 0.00 51.96 50.72 1k6y s ALA 86 Cb -0.10 0.47 0.07 0.00 0.00 0.00 0.00 23.12 23.56 1k6y s ALA 86 CO -0.11 -0.47 0.71 -2.00 0.00 0.00 0.00 175.76 173.90 1k6y s GLU 87 N -3.90 0.87 -0.19 0.00 2.12 -0.23 -4.92 118.70 112.45 1k6y s GLU 87 Ca 0.08 0.90 -0.27 0.00 0.36 0.00 0.00 54.97 56.04 1k6y s GLU 87 Cb 0.06 0.42 -0.00 0.00 0.26 0.00 0.00 34.13 34.87 1k6y s GLU 87 CO -0.09 -0.13 0.94 0.08 -0.54 0.00 0.00 175.26 175.52 1k6y s VAL 88 N 0.17 4.78 0.12 3.70 1.01 -1.26 -0.64 120.40 128.28 1k6y s VAL 88 Ca -0.01 1.84 0.08 0.00 0.00 0.00 0.00 61.98 63.89 1k6y s VAL 88 Cb -0.04 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1k6y s VAL 88 CO 0.02 -0.07 -0.12 0.27 0.00 0.00 0.00 175.10 175.20 1k6y s ILE 89 N 2.60 3.18 0.25 2.22 -4.36 -0.28 -4.97 121.20 119.84 1k6y s ILE 89 Ca 0.42 -1.40 -0.04 0.00 -0.26 0.00 0.00 60.65 59.37 1k6y s ILE 89 Cb -0.16 -2.49 0.23 0.00 1.25 0.00 0.00 42.46 41.29 1k6y s ILE 89 CO 0.10 0.08 1.71 -0.65 0.24 0.00 0.00 174.94 176.42 1k6y h PRO 90 N 3.54 0.36 -3.05 0.37 0.11 -1.96 -3.36 132.00 128.01 1k6y h PRO 90 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1k6y h PRO 90 Cb 1.17 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.07 1k6y h PRO 90 CO 0.50 0.24 0.12 0.00 -0.21 0.00 0.00 178.00 178.65 1k6y s ALA 91 N -6.01 -1.41 -1.30 -0.75 0.00 -1.26 -4.86 121.76 106.16 1k6y s ALA 91 Ca -0.12 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.05 1k6y s ALA 91 Cb 0.21 0.77 0.03 0.00 0.00 0.00 0.00 23.12 24.13 1k6y s ALA 91 CO 0.76 -0.70 1.95 -1.91 0.00 0.00 0.00 175.76 175.86 1k6y n GLU 92 N -0.24 2.78 -4.35 0.00 2.13 -1.26 -4.79 120.64 114.91 1k6y n GLU 92 Ca -0.17 -2.84 -0.19 0.00 0.66 0.00 0.00 57.16 54.62 1k6y n GLU 92 Cb 0.64 -3.40 -0.10 0.00 0.27 0.00 0.00 31.44 28.85 1k6y n GLU 92 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1k6y s THR 93 N 4.58 1.79 0.33 6.31 -4.23 -1.26 -4.72 115.64 118.44 1k6y s THR 93 Ca 0.53 -2.21 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1k6y s THR 93 Cb 0.08 -2.05 0.21 0.00 1.34 0.00 0.00 72.50 72.08 1k6y s THR 93 CO 0.03 -0.57 1.93 1.23 -0.54 0.00 0.00 174.62 176.69 1k6y h GLY 94 N 2.57 0.81 0.94 3.99 0.00 -1.87 -1.32 103.07 108.19 1k6y h GLY 94 Ca -0.38 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 46.57 1k6y h GLY 94 CO 0.61 0.37 0.00 1.46 0.00 0.00 0.00 176.54 178.98 1k6y h GLN 95 N 0.75 0.02 -0.60 4.80 4.20 -1.93 0.46 115.11 122.81 1k6y h GLN 95 Ca 0.19 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 1k6y h GLN 95 Cb 0.11 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1k6y h GLN 95 CO -0.02 0.01 0.24 0.93 -0.67 0.00 0.00 178.83 179.32 1k6y h GLU 96 N 0.02 0.89 -0.22 1.46 4.39 -1.80 -1.32 114.58 118.01 1k6y h GLU 96 Ca 0.02 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1k6y h GLU 96 Cb 0.02 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1k6y h GLU 96 CO -0.03 0.76 0.10 1.15 -1.16 0.00 0.00 179.01 179.82 1k6y h THR 97 N 0.83 1.15 -0.26 1.13 2.02 -0.85 -1.33 112.91 115.60 1k6y h THR 97 Ca 0.20 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.98 1k6y h THR 97 Cb 0.20 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1k6y h THR 97 CO -0.02 0.14 0.06 0.00 0.37 0.00 0.00 175.52 176.07 1k6y h ALA 98 N 0.95 0.27 -0.36 6.16 0.00 0.10 0.97 119.26 127.35 1k6y h ALA 98 Ca 0.07 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1k6y h ALA 98 Cb 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1k6y h ALA 98 CO -0.01 -0.36 0.20 -0.92 0.00 0.00 0.00 179.25 178.16 1k6y h TYR 99 N 0.16 0.37 -0.33 0.00 3.20 -1.13 0.68 116.97 119.91 1k6y h TYR 99 Ca 0.12 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.04 1k6y h TYR 99 Cb 0.11 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1k6y h TYR 99 CO -0.15 0.21 0.13 0.35 -1.64 0.00 0.00 178.16 177.06 1k6y h PHE 100 N 0.41 0.23 -0.81 -3.82 3.57 -0.78 -1.48 116.94 114.26 1k6y h PHE 100 Ca 0.15 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1k6y h PHE 100 Cb 0.03 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1k6y h PHE 100 CO -0.08 0.11 0.50 -0.07 -2.23 0.00 0.00 178.31 176.54 1k6y h LEU 101 N 0.28 0.97 -0.62 0.59 3.38 -0.36 -1.46 115.31 118.09 1k6y h LEU 101 Ca 0.15 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1k6y h LEU 101 Cb 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1k6y h LEU 101 CO -0.14 0.74 0.37 0.25 0.09 0.00 0.00 178.44 179.74 1k6y h LEU 102 N 1.11 0.74 -0.44 1.67 6.46 -0.35 -0.51 115.31 124.00 1k6y h LEU 102 Ca 0.29 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.93 1k6y h LEU 102 Cb -0.06 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.66 1k6y h LEU 102 CO -0.06 0.59 0.04 0.11 -0.62 0.00 0.00 178.44 178.50 1k6y h LYS 103 N 0.83 0.76 -0.13 1.25 1.57 -0.91 -2.81 116.57 117.13 1k6y h LYS 103 Ca 0.22 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1k6y h LYS 103 Cb -0.02 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1k6y h LYS 103 CO -0.04 0.80 -0.05 1.25 -0.57 0.00 0.00 179.45 180.85 1k6y h LEU 104 N 0.61 -0.17 -1.46 2.94 5.85 -0.91 -3.01 115.31 119.16 1k6y h LEU 104 Ca 0.13 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1k6y h LEU 104 Cb 0.44 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1k6y h LEU 104 CO 0.02 -0.06 0.40 0.00 -0.34 0.00 0.00 178.44 178.45 1k6y h ALA 105 N 1.10 1.69 0.00 1.25 0.00 -0.97 -0.68 119.26 121.65 1k6y h ALA 105 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1k6y h ALA 105 Cb 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1k6y h ALA 105 CO -0.15 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1k6y n GLY 106 N -1.46 -1.37 0.13 0.00 0.00 -1.07 -3.68 105.19 97.74 1k6y n GLY 106 Ca 0.07 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1k6y n GLY 106 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k6y n ARG 107 N -1.51 0.64 -4.35 1.61 0.63 -0.40 -5.02 116.66 108.25 1k6y n ARG 107 Ca 0.06 0.29 -0.18 0.00 -0.92 0.00 0.00 57.85 57.09 1k6y n ARG 107 Cb 0.29 -1.59 -0.10 0.00 0.45 0.00 0.00 32.46 31.52 1k6y n ARG 107 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1k6y s TRP 108 N -2.49 1.68 -1.29 -0.14 0.52 -0.41 -5.06 118.94 111.75 1k6y s TRP 108 Ca -0.33 -0.73 -0.18 0.00 0.02 0.00 0.00 56.10 54.88 1k6y s TRP 108 Cb 0.10 -0.90 0.02 0.00 -1.15 0.00 0.00 33.47 31.54 1k6y s TRP 108 CO 0.59 0.19 1.93 -0.35 0.02 0.00 0.00 176.95 179.34 1k6y n PRO 109 N -0.43 2.74 -2.56 4.98 -0.04 -1.26 -4.50 135.00 133.93 1k6y n PRO 109 Ca -0.07 -2.84 -0.43 0.00 -0.04 0.00 0.00 63.50 60.13 1k6y n PRO 109 Cb 0.62 -3.41 -0.02 0.00 -0.04 0.00 0.00 33.50 30.65 1k6y n PRO 109 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k6y s VAL 110 N 4.82 4.23 -0.16 0.52 1.01 -1.26 -4.59 120.40 124.97 1k6y s VAL 110 Ca 0.54 1.31 0.06 0.00 0.00 0.00 0.00 61.98 63.89 1k6y s VAL 110 Cb 0.08 -4.47 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 1k6y s VAL 110 CO 0.04 -0.81 -0.07 0.29 0.00 0.00 0.00 175.10 174.55 1k6y n LYS 111 N 7.60 1.01 -4.18 2.72 4.76 -0.77 -4.64 118.16 124.66 1k6y n LYS 111 Ca 0.13 0.05 -0.16 0.00 -2.87 0.00 0.00 58.31 55.46 1k6y n LYS 111 Cb 0.48 -1.34 -0.14 0.00 -1.84 0.00 0.00 35.03 32.19 1k6y n LYS 111 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1k6y s THR 112 N -2.34 0.48 -0.05 -0.18 2.01 -0.59 -1.09 115.64 113.88 1k6y s THR 112 Ca -0.16 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1k6y s THR 112 Cb 0.05 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 72.14 1k6y s THR 112 CO 0.46 0.07 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.62 1k6y s VAL 113 N -0.30 1.31 -0.15 3.82 1.01 -0.21 -1.01 120.40 124.87 1k6y s VAL 113 Ca 0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1k6y s VAL 113 Cb -0.03 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1k6y s VAL 113 CO -0.00 0.39 -0.11 -1.00 0.00 0.00 0.00 175.10 174.38 1k6y s HIS 114 N 0.31 2.86 0.25 5.22 3.76 0.49 -2.10 115.29 126.08 1k6y s HIS 114 Ca -0.09 -0.73 0.01 0.00 -0.15 0.00 0.00 55.06 54.10 1k6y s HIS 114 Cb -0.13 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 1k6y s HIS 114 CO 0.03 -0.30 0.13 0.95 -0.85 0.00 0.00 174.74 174.70 1k6y s THR 115 N 0.63 0.30 -2.08 1.30 -4.23 -1.17 -1.42 115.64 108.97 1k6y s THR 115 Ca -0.06 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.58 1k6y s THR 115 Cb -0.15 -2.56 0.34 0.00 1.34 0.00 0.00 72.50 71.47 1k6y s THR 115 CO 0.03 0.00 1.39 -0.90 -0.54 0.00 0.00 174.62 174.60 1k6y n ASP 116 N -0.56 0.98 0.00 3.99 5.75 -1.26 -4.60 116.55 120.86 1k6y n ASP 116 Ca 0.01 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1k6y n ASP 116 Cb 0.66 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1k6y n ASP 116 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1k6y n ASN 117 N -0.05 -1.62 -4.43 -1.12 6.94 -1.26 -5.01 115.26 108.71 1k6y n ASN 117 Ca 0.11 0.00 -0.36 0.00 -0.02 0.00 0.00 54.58 54.31 1k6y n ASN 117 Cb 0.19 -0.39 0.07 0.00 -2.36 0.00 0.00 39.78 37.29 1k6y n ASN 117 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k6y n GLY 118 N -2.41 -1.83 0.37 4.83 0.00 -1.26 -4.57 105.19 100.32 1k6y n GLY 118 Ca 0.00 -0.44 0.20 0.00 0.00 0.00 0.00 46.02 45.77 1k6y n GLY 118 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1k6y h SER 119 N -0.54 0.00 0.07 1.61 4.64 -1.96 -0.15 113.55 117.23 1k6y h SER 119 Ca -0.45 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.68 1k6y h SER 119 Cb 1.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1k6y h SER 119 CO 0.40 0.00 -0.71 -0.55 -0.87 0.00 0.00 176.83 175.11 1k6y h ASN 120 N 0.00 0.67 1.58 4.97 -1.07 -1.86 -1.16 115.58 118.70 1k6y h ASN 120 Ca 0.18 -0.42 0.00 0.00 0.07 0.00 0.00 56.30 56.13 1k6y h ASN 120 Cb 0.91 -0.20 0.00 0.00 -2.07 0.00 0.00 38.32 36.96 1k6y h ASN 120 CO -0.00 1.17 -0.13 -0.26 0.07 0.00 0.00 177.43 178.28 1k6y h PHE 121 N 0.40 0.00 0.00 4.14 0.05 -1.36 -3.22 116.94 116.95 1k6y h PHE 121 Ca -0.03 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.76 1k6y h PHE 121 Cb 1.29 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.24 1k6y h PHE 121 CO 0.06 0.00 -1.13 2.41 -0.18 0.00 0.00 178.31 179.47 1k6y n THR 122 N -2.59 0.17 -1.53 -1.55 -1.04 -0.72 -4.78 114.28 102.24 1k6y n THR 122 Ca 0.04 -0.28 -0.38 0.00 -2.04 0.00 0.00 64.05 61.40 1k6y n THR 122 Cb 0.48 0.19 0.05 0.00 -1.82 0.00 0.00 70.33 69.23 1k6y n THR 122 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1k6y n SER 123 N -2.02 -0.08 0.21 8.00 3.41 -0.45 -4.81 113.62 117.88 1k6y n SER 123 Ca 0.01 0.76 0.05 0.00 -0.26 0.00 0.00 58.87 59.43 1k6y n SER 123 Cb 0.45 -1.29 0.45 0.00 -0.26 0.00 0.00 64.21 63.56 1k6y n SER 123 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1k6y h THR 124 N 0.29 1.06 -0.50 6.66 1.35 -1.91 -1.63 112.91 118.22 1k6y h THR 124 Ca -0.47 -1.04 -0.08 0.00 -0.55 0.00 0.00 66.41 64.27 1k6y h THR 124 Cb 1.38 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 69.36 1k6y h THR 124 CO 0.49 0.28 -0.02 0.71 -0.25 0.00 0.00 175.52 176.73 1k6y h THR 125 N 0.00 1.26 -0.36 6.82 1.35 -1.90 0.12 112.91 120.20 1k6y h THR 125 Ca -0.00 -1.11 -0.16 0.00 -0.55 0.00 0.00 66.41 64.59 1k6y h THR 125 Cb 0.56 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1k6y h THR 125 CO 0.04 0.39 -0.40 0.58 -0.25 0.00 0.00 175.52 175.88 1k6y h VAL 126 N 0.75 1.28 -0.97 6.82 2.07 -1.68 -1.50 116.25 123.01 1k6y h VAL 126 Ca 0.14 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 66.11 1k6y h VAL 126 Cb 0.54 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1k6y h VAL 126 CO 0.03 0.52 0.63 0.50 0.02 0.00 0.00 177.57 179.28 1k6y h LYS 127 N 0.72 1.21 -0.37 1.57 1.63 -1.03 0.12 116.57 120.42 1k6y h LYS 127 Ca 0.06 -0.07 -0.13 0.00 -0.85 0.00 0.00 60.65 59.66 1k6y h LYS 127 Cb 0.98 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 1k6y h LYS 127 CO 0.09 0.80 -0.28 0.00 -3.45 0.00 0.00 179.45 176.62 1k6y h ALA 128 N 1.39 0.82 0.00 5.00 0.00 -0.53 -1.22 119.26 124.71 1k6y h ALA 128 Ca 0.38 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k6y h ALA 128 Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1k6y h ALA 128 CO -0.11 0.64 -0.00 0.00 0.00 0.00 0.00 179.25 179.78 1k6y h ALA 129 N 1.02 -0.01 -0.79 0.00 0.00 -0.37 -1.56 119.26 117.56 1k6y h ALA 129 Ca 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k6y h ALA 129 Cb 0.81 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1k6y h ALA 129 CO 0.07 -0.42 0.47 0.00 0.00 0.00 0.00 179.25 179.37 1k6y h ASP 131 N 1.08 0.72 0.23 0.00 3.32 -1.07 0.36 116.42 121.06 1k6y h ASP 131 Ca 0.28 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1k6y h ASP 131 Cb -0.04 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1k6y h ASP 131 CO -0.05 0.79 -0.11 -0.25 -1.72 0.00 0.00 179.24 177.89 1k6y h TRP 132 N 0.63 -0.28 -0.05 4.55 7.01 -0.83 -2.72 115.95 124.27 1k6y h TRP 132 Ca 0.14 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.14 1k6y h TRP 132 Cb 0.36 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.51 1k6y h TRP 132 CO 0.02 -0.10 0.00 0.00 -2.79 0.00 0.00 178.44 175.57 1k6y n ALA 133 N -2.28 2.52 -3.43 2.65 0.00 -0.36 -4.92 120.51 114.71 1k6y n ALA 133 Ca -0.09 -0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.03 1k6y n ALA 133 Cb 0.18 -1.08 0.06 0.00 0.00 0.00 0.00 19.45 18.61 1k6y n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k6y n GLY 134 N 0.67 -0.88 3.19 0.00 0.00 -0.11 -5.02 105.19 103.05 1k6y n GLY 134 Ca 0.06 0.42 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 1k6y n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k6y s ILE 135 N -3.44 1.84 0.02 -0.61 1.01 0.11 -4.77 121.20 115.35 1k6y s ILE 135 Ca 0.32 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 1k6y s ILE 135 Cb -0.06 -1.59 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 1k6y s ILE 135 CO 0.77 0.51 0.49 -0.75 0.00 0.00 0.00 174.94 175.97 1k6y s LYS 136 N 0.23 4.10 -0.02 2.79 2.20 -0.25 -4.48 119.74 124.31 1k6y s LYS 136 Ca -0.13 0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 56.04 1k6y s LYS 136 Cb -0.16 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1k6y s LYS 136 CO 0.06 0.60 0.06 -0.65 -0.36 0.00 0.00 175.35 175.06 1k6y s GLN 137 N -0.87 3.03 0.31 4.03 -0.21 -1.26 -1.04 119.66 123.65 1k6y s GLN 137 Ca 0.26 -0.47 -0.10 0.00 0.02 0.00 0.00 55.36 55.08 1k6y s GLN 137 Cb -0.18 -2.84 0.01 0.00 1.00 0.00 0.00 33.01 31.00 1k6y s GLN 137 CO 0.16 0.66 0.54 -1.21 -2.12 0.00 0.00 175.29 173.31 1k6y s GLU 138 N -1.56 1.82 2.29 2.91 2.02 -0.89 -4.96 118.70 120.32 1k6y s GLU 138 Ca 0.21 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.72 1k6y s GLU 138 Cb -0.12 0.49 0.00 0.00 0.10 0.00 0.00 34.13 34.60 1k6y s GLU 138 CO 0.11 -0.78 0.00 -3.47 0.02 0.00 0.00 175.26 171.15 1k6y n ASP 139 N -0.96 -0.18 0.02 -0.19 -0.08 -1.26 -3.07 116.55 110.82 1k6y n ASP 139 Ca -0.02 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.24 1k6y n ASP 139 Cb 0.61 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.98 1k6y n ASP 139 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k6y n GLY 149 N 0.00 -1.15 0.12 0.27 0.00 -1.26 -4.60 105.19 98.57 1k6y n GLY 149 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1k6y n GLY 149 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k6y h VAL 150 N 0.00 1.18 0.63 1.61 2.07 -2.02 -1.94 116.25 117.79 1k6y h VAL 150 Ca -0.20 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1k6y h VAL 150 Cb 1.67 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1k6y h VAL 150 CO 0.05 0.18 -0.34 0.40 0.02 0.00 0.00 177.57 177.88 1k6y h ILE 151 N 0.17 0.31 0.13 4.57 2.04 -1.98 -1.31 117.51 121.43 1k6y h ILE 151 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1k6y h ILE 151 Cb 0.20 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1k6y h ILE 151 CO -0.00 0.00 -0.49 -0.33 0.00 0.00 0.00 178.15 177.32 1k6y h GLU 152 N -0.90 -0.69 -0.99 2.37 5.08 -2.00 -0.37 114.58 117.08 1k6y h GLU 152 Ca -0.08 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.49 1k6y h GLU 152 Cb 0.71 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.02 1k6y h GLU 152 CO 0.12 -0.46 0.61 1.03 -1.00 0.00 0.00 179.01 179.31 1k6y h SER 153 N -0.72 0.78 -0.44 1.42 0.87 -1.38 -2.14 113.55 111.95 1k6y h SER 153 Ca -0.01 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.53 1k6y h SER 153 Cb 0.71 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1k6y h SER 153 CO -0.26 0.34 -0.10 -0.03 -0.53 0.00 0.00 176.83 176.25 1k6y h MET 154 N 0.79 0.84 -0.51 2.24 1.85 -0.50 -2.19 114.93 117.45 1k6y h MET 154 Ca 0.53 -0.32 0.00 0.00 -0.61 0.00 0.00 59.70 59.31 1k6y h MET 154 Cb 0.79 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.75 1k6y h MET 154 CO -0.31 0.95 0.34 -0.91 -0.40 0.00 0.00 176.91 176.57 1k6y h ASN 155 N 0.67 0.58 0.08 1.39 2.35 -0.43 -0.47 115.58 119.74 1k6y h ASN 155 Ca 0.11 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1k6y h ASN 155 Cb 0.64 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1k6y h ASN 155 CO 0.04 0.42 -0.04 0.50 -1.65 0.00 0.00 177.43 176.71 1k6y h LYS 156 N 0.69 -0.10 -0.86 0.81 3.64 -1.21 -0.52 116.57 119.01 1k6y h LYS 156 Ca 0.19 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1k6y h LYS 156 Cb -0.08 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1k6y h LYS 156 CO -0.04 0.17 0.53 1.49 -2.27 0.00 0.00 179.45 179.33 1k6y h GLU 157 N -0.38 1.16 0.03 1.90 4.57 -0.91 -1.12 114.58 119.83 1k6y h GLU 157 Ca -0.01 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1k6y h GLU 157 Cb 0.32 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1k6y h GLU 157 CO 0.02 0.81 -0.01 1.25 -1.18 0.00 0.00 179.01 179.89 1k6y h LEU 158 N 1.19 -0.03 -1.55 1.64 5.85 -1.01 -2.14 115.31 119.26 1k6y h LEU 158 Ca 0.31 -0.33 0.13 0.00 0.84 0.00 0.00 57.88 58.83 1k6y h LEU 158 Cb -0.06 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1k6y h LEU 158 CO -0.06 0.32 0.48 0.11 -0.34 0.00 0.00 178.44 178.95 1k6y h LYS 159 N -0.38 0.46 -0.18 1.25 1.79 -0.83 0.17 116.57 118.84 1k6y h LYS 159 Ca -0.00 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 1k6y h LYS 159 Cb 0.36 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1k6y h LYS 159 CO 0.01 0.30 -0.08 -0.22 -1.08 0.00 0.00 179.45 178.38 1k6y h LYS 160 N 0.47 0.38 -0.52 3.15 3.64 -1.04 -1.75 116.57 120.90 1k6y h LYS 160 Ca 0.35 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1k6y h LYS 160 Cb 0.70 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1k6y h LYS 160 CO -0.11 0.67 -0.02 0.82 -2.27 0.00 0.00 179.45 178.54 1k6y h ILE 161 N 0.07 1.25 -0.82 2.00 2.04 -0.49 -2.11 117.51 119.45 1k6y h ILE 161 Ca 0.04 -1.09 0.05 0.00 1.00 0.00 0.00 64.86 64.87 1k6y h ILE 161 Cb 0.55 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1k6y h ILE 161 CO 0.02 0.39 0.51 0.40 0.00 0.00 0.00 178.15 179.47 1k6y h ILE 162 N 0.81 1.05 -0.55 -0.67 2.04 -0.62 -1.58 117.51 118.00 1k6y h ILE 162 Ca 0.15 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1k6y h ILE 162 Cb 0.51 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1k6y h ILE 162 CO 0.03 0.17 0.28 1.23 0.00 0.00 0.00 178.15 179.86 1k6y h GLY 163 N 0.95 0.84 1.90 5.37 0.00 -0.68 0.60 103.07 112.04 1k6y h GLY 163 Ca 0.35 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1k6y h GLY 163 CO -0.16 0.38 -0.04 1.46 0.00 0.00 0.00 176.54 178.19 1k6y h GLN 164 N 0.74 0.13 0.00 4.80 4.20 -0.74 -3.21 115.11 121.03 1k6y h GLN 164 Ca 0.19 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1k6y h GLN 164 Cb 0.09 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1k6y h GLN 164 CO -0.03 0.18 -1.71 0.28 -0.67 0.00 0.00 178.83 176.88 1k6y n VAL 165 N -4.42 0.00 -0.23 -0.54 0.31 -0.67 -4.68 118.33 108.10 1k6y n VAL 165 Ca -0.01 -0.38 0.09 0.00 -0.01 0.00 0.00 64.34 64.03 1k6y n VAL 165 Cb 0.16 0.19 0.18 0.00 -0.91 0.00 0.00 33.84 33.46 1k6y n VAL 165 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1k6y n ARG 166 N -2.05 -0.05 -0.30 5.55 3.00 0.21 0.03 116.66 123.05 1k6y n ARG 166 Ca -0.03 0.99 0.14 0.00 -0.00 0.00 0.00 57.85 58.96 1k6y n ARG 166 Cb 0.45 -1.57 0.39 0.00 0.00 0.00 0.00 32.46 31.73 1k6y n ARG 166 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1k6y h ASP 167 N 0.00 0.64 0.16 6.15 5.19 -1.83 -1.93 116.42 124.80 1k6y h ASP 167 Ca 0.39 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 1k6y h ASP 167 Cb 0.78 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1k6y h ASP 167 CO -0.63 0.27 0.00 0.00 -3.12 0.00 0.00 179.24 175.76 1k6y n GLN 168 N -4.61 0.46 -4.11 3.56 6.02 0.10 -4.77 117.38 114.03 1k6y n GLN 168 Ca 0.20 0.05 -0.15 0.00 -0.01 0.00 0.00 57.00 57.09 1k6y n GLN 168 Cb 0.57 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.21 1k6y n GLN 168 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k6y s ALA 169 N -2.25 0.81 -0.07 -1.58 0.00 -0.72 -5.03 121.76 112.91 1k6y s ALA 169 Ca 0.24 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 1k6y s ALA 169 Cb 0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1k6y s ALA 169 CO 0.25 0.06 0.34 1.49 0.00 0.00 0.00 175.76 177.90 1k6y h GLU 170 N 4.45 -0.22 -6.12 0.00 4.57 -1.86 -3.46 114.58 111.95 1k6y h GLU 170 Ca -0.38 0.02 -0.59 0.00 -1.18 0.00 0.00 59.36 57.23 1k6y h GLU 170 Cb 1.20 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.79 1k6y h GLU 170 CO 0.41 -0.08 -0.18 -1.01 -1.18 0.00 0.00 179.01 176.96 1k6y s HIS 171 N -2.40 3.67 0.46 0.92 3.76 -1.26 -5.00 115.29 115.44 1k6y s HIS 171 Ca -0.05 0.97 0.15 0.00 -0.15 0.00 0.00 55.06 55.98 1k6y s HIS 171 Cb 0.00 -2.28 1.11 0.00 1.11 0.00 0.00 32.58 32.52 1k6y s HIS 171 CO 0.15 0.56 2.03 1.25 -0.85 0.00 0.00 174.74 177.88 1k6y h LEU 172 N 4.19 0.26 -1.60 0.89 5.85 -1.95 -2.10 115.31 120.85 1k6y h LEU 172 Ca -0.50 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1k6y h LEU 172 Cb 1.21 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1k6y h LEU 172 CO 0.64 0.16 0.18 0.07 -0.34 0.00 0.00 178.44 179.16 1k6y h LYS 173 N 0.29 0.45 -0.12 1.25 2.10 -1.99 0.15 116.57 118.71 1k6y h LYS 173 Ca 0.20 -0.04 -0.20 0.00 -2.00 0.00 0.00 60.65 58.61 1k6y h LYS 173 Cb 0.43 -0.10 0.01 0.00 -0.90 0.00 0.00 32.23 31.67 1k6y h LYS 173 CO -0.04 0.33 -0.73 1.15 -2.00 0.00 0.00 179.45 178.16 1k6y h THR 174 N 0.46 1.31 -0.36 0.07 2.02 -1.80 -2.59 112.91 112.03 1k6y h THR 174 Ca 0.12 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.34 1k6y h THR 174 Cb 0.01 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1k6y h THR 174 CO -0.02 0.61 0.23 0.00 0.37 0.00 0.00 175.52 176.71 1k6y h ALA 175 N 0.50 0.45 -0.51 6.16 0.00 -1.27 -1.20 119.26 123.39 1k6y h ALA 175 Ca -0.06 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1k6y h ALA 175 Cb 1.37 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1k6y h ALA 175 CO 0.15 -0.07 0.08 0.28 0.00 0.00 0.00 179.25 179.69 1k6y h VAL 176 N 0.47 0.68 0.00 0.00 2.07 -0.71 0.17 116.25 118.94 1k6y h VAL 176 Ca 0.13 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 1k6y h VAL 176 Cb -0.03 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1k6y h VAL 176 CO -0.03 0.04 -0.32 1.56 0.02 0.00 0.00 177.57 178.84 1k6y h GLN 177 N 0.21 0.00 -0.23 1.57 1.08 -1.02 -0.93 115.11 115.79 1k6y h GLN 177 Ca 0.26 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.30 1k6y h GLN 177 Cb 0.36 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1k6y h GLN 177 CO -0.36 0.32 -0.51 0.52 -0.95 0.00 0.00 178.83 177.85 1k6y h MET 178 N 0.00 0.66 -0.47 1.46 2.86 -0.01 -1.70 114.93 117.73 1k6y h MET 178 Ca -0.00 -0.40 -0.08 0.00 -2.06 0.00 0.00 59.70 57.15 1k6y h MET 178 Cb 0.57 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1k6y h MET 178 CO 0.04 1.02 -0.05 0.00 1.06 0.00 0.00 176.91 178.98 1k6y h ALA 179 N 0.91 1.04 -0.12 6.32 0.00 -0.30 0.53 119.26 127.64 1k6y h ALA 179 Ca 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1k6y h ALA 179 Cb 1.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1k6y h ALA 179 CO 0.10 0.59 -0.02 0.28 0.00 0.00 0.00 179.25 180.20 1k6y h VAL 180 N 0.74 1.28 -0.35 0.00 2.07 -1.04 -0.74 116.25 118.21 1k6y h VAL 180 Ca 0.14 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.78 1k6y h VAL 180 Cb 0.52 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 1k6y h VAL 180 CO 0.03 0.27 0.01 0.15 0.02 0.00 0.00 177.57 178.05 1k6y h PHE 181 N -0.08 0.00 -0.16 1.57 3.04 -1.03 -0.47 116.94 119.81 1k6y h PHE 181 Ca 0.03 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1k6y h PHE 181 Cb 0.43 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 1k6y h PHE 181 CO 0.05 -0.05 0.08 0.82 -2.02 0.00 0.00 178.31 177.18 1k6y h ILE 182 N 0.11 1.13 -0.41 1.41 2.04 -0.83 -1.14 117.51 119.82 1k6y h ILE 182 Ca 0.17 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1k6y h ILE 182 Cb 0.23 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1k6y h ILE 182 CO -0.27 0.12 0.22 -0.74 0.00 0.00 0.00 178.15 177.47 1k6y h HIS 183 N 0.13 0.40 0.00 1.37 2.76 -0.64 0.53 115.15 119.71 1k6y h HIS 183 Ca 0.06 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.10 1k6y h HIS 183 Cb 0.12 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 1k6y h HIS 183 CO -0.03 0.22 -0.68 -0.91 -1.30 0.00 0.00 177.93 175.24 1k6y h ASN 184 N 0.44 0.00 0.00 3.26 2.35 -1.02 -3.37 115.58 117.24 1k6y h ASN 184 Ca 0.17 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1k6y h ASN 184 Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1k6y h ASN 184 CO -0.10 0.68 -1.20 0.29 -1.65 0.00 0.00 177.43 175.45 1k6y n LYS 185 N -3.72 2.31 -0.33 0.81 5.02 -0.44 -0.62 118.16 121.20 1k6y n LYS 185 Ca -0.01 -0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.34 1k6y n LYS 185 Cb 0.67 -1.08 0.21 0.00 -0.02 0.00 0.00 35.03 34.81 1k6y n LYS 185 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1k6y n LYS 186 N -1.95 2.80 -3.78 1.97 4.76 0.18 -4.82 118.16 117.33 1k6y n LYS 186 Ca -0.04 -2.56 -0.30 0.00 -2.87 0.00 0.00 58.31 52.55 1k6y n LYS 186 Cb 0.43 -1.63 -0.15 0.00 -1.84 0.00 0.00 35.03 31.84 1k6y n LYS 186 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1k6y s ARG 187 N -2.26 0.91 0.42 1.97 1.81 -1.16 -4.95 118.95 115.69 1k6y s ARG 187 Ca 0.35 -1.31 0.08 0.00 -1.72 0.00 0.00 55.73 53.12 1k6y s ARG 187 Cb 0.26 -2.23 -0.00 0.00 -0.45 0.00 0.00 34.95 32.53 1k6y s ARG 187 CO 0.10 -1.00 0.50 0.15 -0.68 0.00 0.00 175.30 174.37 1k6y s LYS 188 N 1.35 2.70 0.00 3.54 1.02 -1.26 -4.31 119.74 122.78 1k6y s LYS 188 Ca 0.11 -1.37 0.00 0.00 0.02 0.00 0.00 55.97 54.73 1k6y s LYS 188 Cb -0.18 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1k6y s LYS 188 CO -0.19 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 1k6y n GLY 189 N -1.74 -1.44 0.00 -3.33 0.00 -0.88 -4.95 105.19 92.86 1k6y n GLY 189 Ca 0.06 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1k6y n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6y n GLY 190 N -0.03 -1.27 0.35 -0.02 0.00 -1.26 -2.54 105.19 100.42 1k6y n GLY 190 Ca 0.00 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.52 1k6y n GLY 190 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k6y h ILE 191 N 0.00 0.95 0.00 -0.61 2.04 -1.98 -2.01 117.51 115.90 1k6y h ILE 191 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1k6y h ILE 191 Cb 0.00 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1k6y h ILE 191 CO 0.00 0.10 -0.55 0.61 0.00 0.00 0.00 178.15 178.31 1k6y n GLY 192 N -1.49 -1.27 2.42 5.37 0.00 -1.26 -4.88 105.19 104.08 1k6y n GLY 192 Ca 0.10 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 1k6y n GLY 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6y n GLY 193 N 1.47 -0.22 3.99 -0.02 0.00 -0.76 -5.00 105.19 104.65 1k6y n GLY 193 Ca 0.05 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 1k6y n GLY 193 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k6y s TYR 194 N -2.84 2.85 0.34 1.61 4.12 -1.06 -4.37 117.35 118.00 1k6y s TYR 194 Ca 0.08 -0.23 0.04 0.00 0.02 0.00 0.00 57.07 56.98 1k6y s TYR 194 Cb -0.03 -2.52 -0.01 0.00 -1.52 0.00 0.00 41.96 37.88 1k6y s TYR 194 CO 0.10 -0.59 0.50 -1.54 0.02 0.00 0.00 175.55 174.04 1k6y s SER 195 N -4.37 6.04 0.37 2.29 1.04 -1.26 -2.06 113.70 115.75 1k6y s SER 195 Ca 0.55 0.03 0.05 0.00 0.48 0.00 0.00 55.95 57.07 1k6y s SER 195 Cb -0.10 -1.50 0.75 0.00 0.10 0.00 0.00 66.02 65.26 1k6y s SER 195 CO 0.35 -0.41 2.01 0.00 0.98 0.00 0.00 173.24 176.18 1k6y h ALA 196 N 0.82 1.66 -0.70 5.32 0.00 -1.74 -0.40 119.26 124.23 1k6y h ALA 196 Ca -0.47 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1k6y h ALA 196 Cb 1.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1k6y h ALA 196 CO 0.56 0.29 0.37 0.78 0.00 0.00 0.00 179.25 181.25 1k6y h GLY 197 N 0.73 1.05 1.60 0.00 0.00 -1.17 -0.98 103.07 104.30 1k6y h GLY 197 Ca 0.23 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.93 1k6y h GLY 197 CO -0.06 0.47 -0.54 0.83 0.00 0.00 0.00 176.54 177.24 1k6y h GLU 198 N 0.96 0.42 -0.16 4.80 5.08 -1.54 -3.22 114.58 120.92 1k6y h GLU 198 Ca 0.24 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1k6y h GLU 198 Cb 0.06 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1k6y h GLU 198 CO -0.04 0.85 0.00 0.00 -1.00 0.00 0.00 179.01 178.83 1k6y h ARG 199 N 0.33 0.28 -0.77 2.33 3.08 -0.57 -2.62 114.38 116.43 1k6y h ARG 199 Ca 0.01 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.03 1k6y h ARG 199 Cb 1.05 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.01 1k6y h ARG 199 CO 0.09 0.50 0.46 0.97 -1.07 0.00 0.00 179.97 180.92 1k6y h ILE 200 N 0.03 1.01 -0.34 2.04 2.10 -1.26 0.24 117.51 121.32 1k6y h ILE 200 Ca 0.05 -0.29 -0.02 0.00 1.08 0.00 0.00 64.86 65.68 1k6y h ILE 200 Cb 0.37 0.09 -0.02 0.00 -1.09 0.00 0.00 36.82 36.18 1k6y h ILE 200 CO 0.01 0.15 0.13 0.58 -1.08 0.00 0.00 178.15 177.95 1k6y h VAL 201 N 0.84 1.14 -0.03 2.19 2.07 -1.56 0.36 116.25 121.27 1k6y h VAL 201 Ca 0.34 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1k6y h VAL 201 Cb 0.17 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1k6y h VAL 201 CO -0.17 0.16 -0.11 -0.78 0.02 0.00 0.00 177.57 176.69 1k6y h ASP 202 N 0.48 0.15 -0.54 0.57 3.58 -0.69 -0.82 116.42 119.15 1k6y h ASP 202 Ca 0.12 -0.65 0.02 0.00 0.42 0.00 0.00 57.03 56.94 1k6y h ASP 202 Cb 0.11 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 1k6y h ASP 202 CO -0.01 0.77 0.33 0.40 -2.88 0.00 0.00 179.24 177.85 1k6y h ILE 203 N -0.47 1.07 -0.04 2.25 2.04 -0.27 -1.17 117.51 120.92 1k6y h ILE 203 Ca -0.01 -0.23 -0.12 0.00 1.00 0.00 0.00 64.86 65.50 1k6y h ILE 203 Cb 0.77 0.36 0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1k6y h ILE 203 CO 0.02 0.12 -0.46 0.40 0.00 0.00 0.00 178.15 178.24 1k6y h ILE 204 N 0.66 1.42 -0.97 -0.67 2.04 -1.01 -1.45 117.51 117.53 1k6y h ILE 204 Ca 0.21 -1.90 0.06 0.00 1.00 0.00 0.00 64.86 64.23 1k6y h ILE 204 Cb -0.00 2.44 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 1k6y h ILE 204 CO -0.08 0.55 0.63 0.00 0.00 0.00 0.00 178.15 179.24 1k6y h ALA 205 N 0.38 1.34 -0.37 1.87 0.00 -1.06 -1.76 119.26 119.66 1k6y h ALA 205 Ca -0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1k6y h ALA 205 Cb 1.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1k6y h ALA 205 CO 0.09 0.42 -0.01 1.15 0.00 0.00 0.00 179.25 180.90 1k6y h THR 206 N 1.15 1.26 0.00 0.00 2.02 -1.23 -2.29 112.91 113.83 1k6y h THR 206 Ca 0.42 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1k6y h THR 206 Cb 0.15 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1k6y h THR 206 CO -0.17 0.34 0.00 -0.67 0.37 0.00 0.00 175.52 175.39 1k6y n ASP 207 N -4.46 0.33 -0.07 4.18 2.03 -0.55 -1.99 116.55 116.02 1k6y n ASP 207 Ca -0.01 0.63 -0.06 0.00 0.52 0.00 0.00 54.79 55.86 1k6y n ASP 207 Cb 0.29 -0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 39.98 1k6y n ASP 207 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1k6y h ILE 208 N 0.00 0.27 -0.49 5.18 2.04 -0.85 -3.29 117.51 120.37 1k6y h ILE 208 Ca 0.00 -1.27 0.09 0.00 1.00 0.00 0.00 64.86 64.68 1k6y h ILE 208 Cb 0.08 0.57 -0.10 0.00 -0.74 0.00 0.00 36.82 36.63 1k6y h ILE 208 CO 0.00 0.09 -0.33 1.56 0.00 0.00 0.00 178.15 179.48 1k6y h GLN 209 N -1.00 -0.20 -0.89 2.37 4.20 -1.04 0.28 115.11 118.83 1k6y h GLN 209 Ca -0.05 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.82 1k6y h GLN 209 Cb 0.51 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.27 1k6y h GLN 209 CO -0.03 -0.13 0.57 1.79 -0.67 0.00 0.00 178.83 180.36 1k6y h THR 210 N -0.21 0.82 -0.08 -0.54 1.35 -1.60 0.59 112.91 113.24 1k6y h THR 210 Ca 0.20 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.82 1k6y h THR 210 Cb 0.54 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.06 1k6y h THR 210 CO -0.60 0.12 0.01 0.29 -0.25 0.00 0.00 175.52 175.09 1k6y n LYS 211 N -4.56 1.43 0.00 4.72 5.02 0.94 -5.13 118.16 120.58 1k6y n LYS 211 Ca 0.17 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1k6y n LYS 211 Cb 0.49 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1k6y n LYS 211 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97