#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otk h GLY 2 N 0.00 0.92 1.09 1.57 0.00 -1.99 -1.98 103.07 102.68 1otk h GLY 2 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.56 1otk h GLY 2 CO 0.00 0.62 -0.03 3.43 0.00 0.00 0.00 176.54 180.55 1otk h ASN 3 N 0.78 1.06 -0.39 0.19 2.35 -1.99 -1.03 115.58 116.56 1otk h ASN 3 Ca 0.14 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1otk h ASN 3 Cb 0.54 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1otk h ASN 3 CO 0.03 1.12 0.19 1.56 -1.65 0.00 0.00 177.43 178.69 1otk h GLN 4 N 0.97 0.55 -0.64 0.81 4.20 -1.92 -0.70 115.11 118.37 1otk h GLN 4 Ca 0.16 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1otk h GLN 4 Cb 0.60 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1otk h GLN 4 CO 0.04 0.48 0.16 1.25 -0.67 0.00 0.00 178.83 180.08 1otk h LEU 5 N 0.49 0.98 -0.07 1.46 5.85 -1.24 -0.31 115.31 122.47 1otk h LEU 5 Ca 0.13 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1otk h LEU 5 Cb 0.10 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1otk h LEU 5 CO -0.02 0.96 0.00 0.74 -0.34 0.00 0.00 178.44 179.78 1otk h THR 6 N 0.95 0.96 -0.80 1.05 2.02 -0.93 -0.63 112.91 115.53 1otk h THR 6 Ca 0.20 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1otk h THR 6 Cb 0.36 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1otk h THR 6 CO 0.00 0.01 0.46 0.00 0.37 0.00 0.00 175.52 176.36 1otk h ALA 7 N 1.06 1.02 -0.11 6.16 0.00 -0.96 -0.14 119.26 126.28 1otk h ALA 7 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1otk h ALA 7 Cb 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1otk h ALA 7 CO -0.05 0.51 0.05 -0.92 0.00 0.00 0.00 179.25 178.83 1otk h TYR 8 N 1.10 0.17 -0.70 0.00 3.20 -0.76 -1.69 116.97 118.29 1otk h TYR 8 Ca 0.28 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1otk h TYR 8 Cb -0.01 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 1otk h TYR 8 CO -0.00 0.26 0.37 1.15 -1.64 0.00 0.00 178.16 178.30 1otk h THR 9 N 0.03 1.22 -0.54 1.81 2.02 -0.94 -2.92 112.91 113.59 1otk h THR 9 Ca 0.04 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 1otk h THR 9 Cb 0.16 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1otk h THR 9 CO -0.00 0.25 0.08 0.25 0.37 0.00 0.00 175.52 176.46 1otk h LEU 10 N 0.97 0.87 -1.12 2.58 5.85 -0.90 -2.29 115.31 121.27 1otk h LEU 10 Ca 0.25 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1otk h LEU 10 Cb 0.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1otk h LEU 10 CO -0.04 0.92 0.09 0.08 -0.34 0.00 0.00 178.44 179.15 1otk h ARG 11 N 0.79 0.72 -0.47 1.25 0.11 -1.19 0.35 114.38 115.94 1otk h ARG 11 Ca 0.16 -0.14 -0.09 0.00 0.10 0.00 0.00 59.98 60.01 1otk h ARG 11 Cb 0.42 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.37 1otk h ARG 11 CO 0.01 0.67 -0.07 -0.07 0.10 0.00 0.00 179.97 180.61 1otk h LEU 12 N 0.69 0.80 -0.47 0.08 3.38 -1.33 -1.69 115.31 116.78 1otk h LEU 12 Ca 0.15 -0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1otk h LEU 12 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1otk h LEU 12 CO 0.00 0.91 -0.48 1.23 0.09 0.00 0.00 178.44 180.19 1otk h GLY 13 N 0.98 0.79 1.27 0.83 0.00 -0.75 -3.09 103.07 103.10 1otk h GLY 13 Ca 0.13 -0.87 -0.05 0.00 0.00 0.00 0.00 47.33 46.55 1otk h GLY 13 CO 0.03 0.78 0.19 -0.55 0.00 0.00 0.00 176.54 177.00 1otk h ASP 14 N 0.58 0.86 -0.35 0.19 3.32 -0.04 -0.19 116.42 120.77 1otk h ASP 14 Ca 0.03 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.95 1otk h ASP 14 Cb 1.04 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 1otk h ASP 14 CO 0.10 0.81 0.22 0.78 -1.72 0.00 0.00 179.24 179.42 1otk h ASN 15 N 0.90 0.36 -0.25 6.45 2.35 -1.25 -1.30 115.58 122.83 1otk h ASN 15 Ca 0.20 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 1otk h ASN 15 Cb 0.26 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1otk h ASN 15 CO -0.01 0.26 0.01 0.00 -1.65 0.00 0.00 177.43 176.04 1otk h LEU 17 N 0.22 0.17 -0.21 0.00 5.85 -0.89 0.13 115.31 120.58 1otk h LEU 17 Ca 0.07 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1otk h LEU 17 Cb 0.39 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1otk h LEU 17 CO 0.01 0.13 0.07 0.58 -0.34 0.00 0.00 178.44 178.89 1otk h VAL 18 N 0.22 1.19 -0.74 1.05 2.07 -1.26 -1.71 116.25 117.06 1otk h VAL 18 Ca 0.08 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 1otk h VAL 18 Cb 0.00 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1otk h VAL 18 CO -0.04 0.18 0.30 0.25 0.02 0.00 0.00 177.57 178.28 1otk h LEU 19 N 0.17 1.00 -0.70 2.57 5.85 -1.33 -2.10 115.31 120.77 1otk h LEU 19 Ca 0.07 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1otk h LEU 19 Cb 0.22 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1otk h LEU 19 CO -0.00 0.89 0.41 -1.28 -0.34 0.00 0.00 178.44 178.12 1otk h SER 20 N 1.07 0.64 -0.61 1.25 0.87 -0.73 -0.96 113.55 115.08 1otk h SER 20 Ca 0.25 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1otk h SER 20 Cb 0.19 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 1otk h SER 20 CO -0.02 0.42 0.28 -0.61 -0.53 0.00 0.00 176.83 176.37 1otk h GLN 21 N 0.77 0.88 -0.34 2.24 5.75 -0.68 -1.44 115.11 122.29 1otk h GLN 21 Ca 0.30 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 1otk h GLN 21 Cb 0.14 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1otk h GLN 21 CO -0.16 0.72 0.15 0.00 -2.65 0.00 0.00 178.83 176.89 1otk h ARG 22 N 0.83 0.50 -0.29 1.69 2.47 -0.78 -2.56 114.38 116.25 1otk h ARG 22 Ca 0.21 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1otk h ARG 22 Cb 0.14 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1otk h ARG 22 CO -0.02 0.48 0.05 -0.07 0.56 0.00 0.00 179.97 180.97 1otk h LEU 23 N 0.41 0.38 -1.57 3.04 3.38 -1.04 -1.86 115.31 118.05 1otk h LEU 23 Ca 0.11 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1otk h LEU 23 Cb 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1otk h LEU 23 CO -0.01 0.40 -0.22 1.23 0.09 0.00 0.00 178.44 179.93 1otk h GLY 24 N 0.66 0.00 2.00 0.83 0.00 -0.87 -2.00 103.07 103.70 1otk h GLY 24 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1otk h GLY 24 CO -0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 1otk n GLU 25 N -4.24 0.19 0.21 4.80 1.02 -0.70 -2.41 120.64 119.51 1otk n GLU 25 Ca -0.02 0.40 0.11 0.00 -0.02 0.00 0.00 57.16 57.63 1otk n GLU 25 Cb 0.28 -1.85 0.15 0.00 -0.02 0.00 0.00 31.44 29.99 1otk n GLU 25 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1otk h TRP 26 N 0.00 0.00 -1.15 -0.32 4.06 -1.40 -3.46 115.95 113.68 1otk h TRP 26 Ca 0.00 0.00 -0.77 0.00 2.06 0.00 0.00 58.89 60.18 1otk h TRP 26 Cb 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1otk h TRP 26 CO 0.00 0.05 0.97 0.00 -3.56 0.00 0.00 178.44 175.90 1otk n GLY 28 N 4.87 0.84 0.00 0.00 0.00 -1.26 -4.87 105.19 104.77 1otk n GLY 28 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1otk n GLY 28 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1otk n HIS 29 N -2.10 0.00 -1.52 1.61 -0.00 0.90 -5.06 115.22 109.05 1otk n HIS 29 Ca 0.00 -0.41 -0.31 0.00 -0.00 0.00 0.00 57.72 57.00 1otk n HIS 29 Cb 0.00 -0.04 0.06 0.00 -0.00 0.00 0.00 29.99 30.01 1otk n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1otk s ALA 30 N -0.82 2.57 0.52 -1.41 0.00 -1.21 -4.94 121.76 116.47 1otk s ALA 30 Ca 0.00 0.15 0.21 0.00 0.00 0.00 0.00 51.96 52.33 1otk s ALA 30 Cb 0.00 -3.20 1.43 0.00 0.00 0.00 0.00 23.12 21.34 1otk s ALA 30 CO 0.00 -1.34 2.15 -1.35 0.00 0.00 0.00 175.76 175.22 1otk h PRO 31 N -0.76 0.00 -3.73 0.00 0.11 -1.96 -3.45 132.00 122.22 1otk h PRO 31 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1otk h PRO 31 Cb 1.22 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 1otk h PRO 31 CO 0.55 0.04 -0.30 -1.21 -0.21 0.00 0.00 178.00 176.88 1otk s GLU 32 N -4.77 0.94 0.21 1.05 2.02 -1.26 -5.04 118.70 111.84 1otk s GLU 32 Ca -0.05 -0.94 -0.10 0.00 0.02 0.00 0.00 54.97 53.91 1otk s GLU 32 Cb 0.16 0.37 0.15 0.00 0.10 0.00 0.00 34.13 34.92 1otk s GLU 32 CO 0.63 -0.32 1.85 1.25 0.02 0.00 0.00 175.26 178.68 1otk h LEU 33 N 2.64 0.91 -0.38 1.80 5.85 -1.99 -0.56 115.31 123.58 1otk h LEU 33 Ca -0.34 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.39 1otk h LEU 33 Cb 1.21 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 1otk h LEU 33 CO 0.53 0.71 -0.08 -0.08 -0.34 0.00 0.00 178.44 179.19 1otk h GLU 34 N 1.04 0.02 -0.50 1.25 4.81 -1.98 0.20 114.58 119.41 1otk h GLU 34 Ca 0.27 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 1otk h GLU 34 Cb -0.03 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1otk h GLU 34 CO -0.05 0.01 -0.02 0.82 -0.73 0.00 0.00 179.01 179.04 1otk h ILE 35 N 0.02 1.26 -0.72 2.32 2.04 -1.86 -1.93 117.51 118.64 1otk h ILE 35 Ca 0.19 -1.11 0.06 0.00 1.00 0.00 0.00 64.86 64.99 1otk h ILE 35 Cb 0.28 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 1otk h ILE 35 CO -0.38 0.39 0.42 -0.78 0.00 0.00 0.00 178.15 177.80 1otk h ASP 36 N 0.75 0.64 -0.25 1.72 -0.00 -0.20 -1.02 116.42 118.07 1otk h ASP 36 Ca 0.14 0.02 -0.15 0.00 -0.00 0.00 0.00 57.03 57.05 1otk h ASP 36 Cb 0.54 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.76 1otk h ASP 36 CO 0.03 0.41 -0.37 -0.07 -0.00 0.00 0.00 179.24 179.24 1otk h LEU 37 N 0.77 0.83 -0.03 2.28 3.38 -0.46 -2.30 115.31 119.79 1otk h LEU 37 Ca 0.32 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1otk h LEU 37 Cb 0.17 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1otk h LEU 37 CO -0.17 1.11 0.01 0.00 0.09 0.00 0.00 178.44 179.48 1otk h ALA 38 N 0.93 0.03 -0.89 1.53 0.00 -0.89 -1.24 119.26 118.73 1otk h ALA 38 Ca 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1otk h ALA 38 Cb 0.93 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1otk h ALA 38 CO 0.09 -0.37 0.55 -0.07 0.00 0.00 0.00 179.25 179.44 1otk h LEU 39 N -0.14 1.06 -0.81 0.00 3.38 -1.20 -0.64 115.31 116.95 1otk h LEU 39 Ca 0.01 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1otk h LEU 39 Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1otk h LEU 39 CO -0.00 0.80 -0.09 0.00 0.09 0.00 0.00 178.44 179.24 1otk h ALA 40 N 1.38 0.99 -0.55 1.53 0.00 -1.28 -0.82 119.26 120.52 1otk h ALA 40 Ca 0.32 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1otk h ALA 40 Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1otk h ALA 40 CO -0.06 0.60 0.06 -0.91 0.00 0.00 0.00 179.25 178.94 1otk h ASN 41 N 0.73 0.89 -0.32 0.00 2.35 -0.41 -0.62 115.58 118.20 1otk h ASN 41 Ca 0.13 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 1otk h ASN 41 Cb 0.57 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1otk h ASN 41 CO 0.04 0.94 0.01 0.40 -1.65 0.00 0.00 177.43 177.17 1otk h ILE 42 N 0.81 1.25 -0.98 2.81 2.04 -0.96 -1.65 117.51 120.83 1otk h ILE 42 Ca 0.16 -0.93 0.07 0.00 1.00 0.00 0.00 64.86 65.16 1otk h ILE 42 Cb 0.45 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 1otk h ILE 42 CO 0.02 0.31 0.64 1.23 0.00 0.00 0.00 178.15 180.34 1otk h GLY 43 N 0.37 1.48 1.32 5.37 0.00 -0.94 -0.34 103.07 110.34 1otk h GLY 43 Ca 0.09 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1otk h GLY 43 CO 0.01 0.33 -0.26 1.41 0.00 0.00 0.00 176.54 178.03 1otk h LEU 44 N 1.15 0.80 -0.04 3.11 3.38 -0.85 -0.64 115.31 122.22 1otk h LEU 44 Ca 0.42 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1otk h LEU 44 Cb 0.18 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1otk h LEU 44 CO -0.17 1.02 0.01 0.44 0.09 0.00 0.00 178.44 179.83 1otk h ASP 45 N 0.67 0.06 -0.95 -0.43 3.32 -0.51 -2.06 116.42 116.51 1otk h ASP 45 Ca 0.09 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.00 1otk h ASP 45 Cb 0.78 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 1otk h ASP 45 CO 0.06 0.22 0.61 -0.07 -1.72 0.00 0.00 179.24 178.35 1otk h LEU 46 N -0.11 1.01 -0.99 1.55 3.38 -0.97 -1.20 115.31 117.98 1otk h LEU 46 Ca 0.01 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1otk h LEU 46 Cb 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1otk h LEU 46 CO -0.00 0.68 0.18 0.25 0.09 0.00 0.00 178.44 179.63 1otk h LEU 47 N 1.17 0.84 -0.49 1.67 5.85 -0.96 0.71 115.31 124.10 1otk h LEU 47 Ca 0.39 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1otk h LEU 47 Cb 0.05 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1otk h LEU 47 CO -0.14 0.80 0.02 1.23 -0.34 0.00 0.00 178.44 180.02 1otk h GLY 48 N 1.01 0.93 1.82 3.75 0.00 -0.58 -0.22 103.07 109.78 1otk h GLY 48 Ca 0.20 -0.66 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 1otk h GLY 48 CO -0.01 0.61 -0.49 1.46 0.00 0.00 0.00 176.54 178.12 1otk h GLN 49 N 0.72 0.19 -0.41 4.80 1.08 -0.88 -1.97 115.11 118.64 1otk h GLN 49 Ca 0.14 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1otk h GLN 49 Cb 0.48 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1otk h GLN 49 CO 0.02 0.64 0.18 0.00 -0.95 0.00 0.00 178.83 178.72 1otk h ALA 50 N 1.35 0.54 -0.52 3.87 0.00 -0.55 -1.09 119.26 122.86 1otk h ALA 50 Ca 0.01 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1otk h ALA 50 Cb 0.92 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1otk h ALA 50 CO 0.07 0.13 0.34 0.00 0.00 0.00 0.00 179.25 179.78 1otk h ARG 51 N 0.53 0.66 -0.36 0.00 3.08 -0.67 -0.18 114.38 117.44 1otk h ARG 51 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1otk h ARG 51 Cb 0.16 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1otk h ARG 51 CO -0.01 0.44 0.24 -0.91 -1.07 0.00 0.00 179.97 178.65 1otk h ASN 52 N 0.68 0.41 -0.13 7.04 2.35 -1.02 0.66 115.58 125.57 1otk h ASN 52 Ca 0.20 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 1otk h ASN 52 Cb -0.05 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1otk h ASN 52 CO -0.06 0.30 -0.13 -0.26 -1.65 0.00 0.00 177.43 175.64 1otk h PHE 53 N 0.49 0.39 -0.71 1.19 0.04 -0.97 -2.45 116.94 114.91 1otk h PHE 53 Ca 0.13 -0.12 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1otk h PHE 53 Cb -0.05 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 1otk h PHE 53 CO -0.05 0.72 0.20 -0.07 -0.60 0.00 0.00 178.31 178.51 1otk h LEU 54 N -0.06 1.04 -0.65 1.54 4.07 -1.01 -0.58 115.31 119.65 1otk h LEU 54 Ca 0.02 -0.20 0.02 0.00 0.08 0.00 0.00 57.88 57.80 1otk h LEU 54 Cb 0.66 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 42.09 1otk h LEU 54 CO 0.03 0.98 0.42 -1.28 -1.08 0.00 0.00 178.44 177.51 1otk h SER 55 N 1.06 0.71 -0.06 -0.43 0.87 -0.86 0.19 113.55 115.03 1otk h SER 55 Ca 0.23 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 1otk h SER 55 Cb 0.33 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1otk h SER 55 CO -0.00 0.50 -0.36 0.22 -0.53 0.00 0.00 176.83 176.66 1otk h TYR 56 N 0.84 0.66 -0.56 2.24 3.20 -1.03 -2.20 116.97 120.11 1otk h TYR 56 Ca 0.25 -0.18 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 1otk h TYR 56 Cb -0.04 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1otk h TYR 56 CO -0.04 0.84 -0.05 0.00 -1.64 0.00 0.00 178.16 177.27 1otk h ALA 57 N 1.14 0.85 -0.40 1.82 0.00 -0.48 -0.68 119.26 121.51 1otk h ALA 57 Ca 0.05 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1otk h ALA 57 Cb 0.84 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1otk h ALA 57 CO 0.07 0.66 -0.13 0.00 0.00 0.00 0.00 179.25 179.85 1otk h ALA 58 N 1.02 1.02 -0.41 0.00 0.00 -0.84 -0.44 119.26 119.60 1otk h ALA 58 Ca 0.15 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1otk h ALA 58 Cb 0.60 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1otk h ALA 58 CO 0.04 0.59 0.05 1.49 0.00 0.00 0.00 179.25 181.42 1otk h GLU 59 N 0.66 0.70 -0.60 0.00 4.81 -1.06 -1.16 114.58 117.93 1otk h GLU 59 Ca 0.11 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1otk h GLU 59 Cb 0.59 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1otk h GLU 59 CO 0.04 0.75 0.17 -0.07 -0.73 0.00 0.00 179.01 179.16 1otk h LEU 60 N 0.54 0.89 -1.69 1.64 3.38 -0.86 -2.51 115.31 116.71 1otk h LEU 60 Ca 0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1otk h LEU 60 Cb 0.40 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1otk h LEU 60 CO 0.01 0.88 -0.14 0.00 0.09 0.00 0.00 178.44 179.29 1otk h ALA 61 N 1.05 1.16 -0.01 1.53 0.00 -0.88 -3.47 119.26 118.64 1otk h ALA 61 Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1otk h ALA 61 Cb 0.32 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1otk h ALA 61 CO -0.00 0.17 -0.00 0.41 0.00 0.00 0.00 179.25 179.82 1otk n GLY 62 N -0.38 0.47 3.44 0.00 0.00 -0.46 -5.01 105.19 103.24 1otk n GLY 62 Ca -0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 1otk n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1otk s GLU 63 N -0.69 1.05 1.90 1.61 -1.05 -1.05 -5.04 118.70 115.42 1otk s GLU 63 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 1otk s GLU 63 Cb 0.00 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 1otk s GLU 63 CO 0.00 -0.36 0.00 0.41 0.95 0.00 0.00 175.26 176.26 1otk n GLY 64 N 0.63 -1.08 1.51 -3.83 0.00 -1.26 -4.68 105.19 96.48 1otk n GLY 64 Ca -0.19 -1.19 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 1otk n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1otk n ASP 65 N -0.91 -0.81 -0.08 1.61 5.68 -1.26 -4.78 116.55 116.01 1otk n ASP 65 Ca 0.00 -1.72 0.08 0.00 -0.50 0.00 0.00 54.79 52.64 1otk n ASP 65 Cb 0.00 1.39 0.43 0.00 -1.14 0.00 0.00 41.12 41.80 1otk n ASP 65 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1otk h GLU 66 N 0.00 0.54 -0.11 0.11 9.09 -1.89 -1.67 114.58 120.65 1otk h GLU 66 Ca -0.13 -0.03 -0.08 0.00 0.05 0.00 0.00 59.36 59.17 1otk h GLU 66 Cb 0.51 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1otk h GLU 66 CO 0.17 0.36 -0.23 -0.44 0.05 0.00 0.00 179.01 178.92 1otk h ASP 67 N 0.56 0.40 -0.71 3.06 3.32 -1.96 0.99 116.42 122.08 1otk h ASP 67 Ca 0.24 -0.56 0.01 0.00 0.02 0.00 0.00 57.03 56.74 1otk h ASP 67 Cb 0.25 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1otk h ASP 67 CO -0.07 0.88 0.47 0.71 -1.72 0.00 0.00 179.24 179.51 1otk h THR 68 N -0.07 1.18 -0.44 0.35 1.35 -1.88 0.47 112.91 113.87 1otk h THR 68 Ca 0.00 -0.33 -0.04 0.00 -0.55 0.00 0.00 66.41 65.49 1otk h THR 68 Cb 0.81 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.35 1otk h THR 68 CO 0.05 0.18 0.12 -0.07 -0.25 0.00 0.00 175.52 175.55 1otk h LEU 69 N 0.96 0.66 -0.54 3.87 3.38 -1.28 -0.36 115.31 121.99 1otk h LEU 69 Ca 0.26 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1otk h LEU 69 Cb -0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1otk h LEU 69 CO -0.06 0.71 -0.44 0.00 0.09 0.00 0.00 178.44 178.74 1otk h ALA 70 N 0.98 0.72 -0.01 1.53 0.00 -0.40 -3.38 119.26 118.70 1otk h ALA 70 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1otk h ALA 70 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1otk h ALA 70 CO -0.00 0.67 -0.05 1.19 0.00 0.00 0.00 179.25 181.06 1otk n PHE 71 N -4.02 0.00 -1.17 0.00 3.72 0.12 -4.67 117.46 111.45 1otk n PHE 71 Ca -0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.47 1otk n PHE 71 Cb 0.55 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.25 1otk n PHE 71 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1otk n THR 72 N 0.28 1.99 -5.25 4.37 -2.24 -0.15 -4.92 114.28 108.37 1otk n THR 72 Ca 0.05 -2.43 -0.31 0.00 -2.27 0.00 0.00 64.05 59.09 1otk n THR 72 Cb 0.21 -0.24 -0.16 0.00 -2.10 0.00 0.00 70.33 68.04 1otk n THR 72 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1otk s ARG 73 N -2.95 2.40 0.63 -0.78 0.52 -1.26 -5.01 118.95 112.51 1otk s ARG 73 Ca 0.34 -0.89 -0.01 0.00 -0.52 0.00 0.00 55.73 54.65 1otk s ARG 73 Cb 0.30 -2.09 0.06 0.00 0.52 0.00 0.00 34.95 33.75 1otk s ARG 73 CO 0.02 0.41 0.89 0.16 0.02 0.00 0.00 175.30 176.80 1otk s ASP 74 N -0.25 4.91 0.45 0.23 1.47 -1.26 -4.89 116.67 117.33 1otk s ASP 74 Ca -0.01 0.02 0.28 0.00 1.18 0.00 0.00 52.55 54.02 1otk s ASP 74 Cb -0.13 -0.72 1.33 0.00 -0.34 0.00 0.00 42.92 43.07 1otk s ASP 74 CO 0.03 -1.45 1.71 1.05 0.68 0.00 0.00 175.17 177.19 1otk h GLU 75 N -0.26 0.19 0.00 2.11 4.11 -1.93 0.21 114.58 119.01 1otk h GLU 75 Ca -0.41 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.00 1otk h GLU 75 Cb 1.29 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1otk h GLU 75 CO 0.51 0.12 -0.01 0.00 0.07 0.00 0.00 179.01 179.70 1otk h ARG 76 N 0.19 0.00 -0.02 1.06 2.47 -1.93 -2.04 114.38 114.11 1otk h ARG 76 Ca 0.69 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.41 1otk h ARG 76 Cb 2.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.47 1otk h ARG 76 CO -0.27 0.01 -0.16 1.04 0.56 0.00 0.00 179.97 181.15 1otk n GLN 77 N -3.14 1.61 -3.15 0.04 3.00 0.72 -4.48 117.38 111.98 1otk n GLN 77 Ca -0.02 -1.32 -0.36 0.00 -0.01 0.00 0.00 57.00 55.29 1otk n GLN 77 Cb 0.17 -1.35 -0.06 0.00 0.00 0.00 0.00 30.24 29.00 1otk n GLN 77 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1otk s PHE 78 N -1.79 3.66 -0.13 1.08 0.40 -0.77 -4.96 117.98 115.47 1otk s PHE 78 Ca 0.19 1.34 0.15 0.00 -0.60 0.00 0.00 56.93 58.01 1otk s PHE 78 Cb 0.15 -2.58 0.35 0.00 0.51 0.00 0.00 43.02 41.46 1otk s PHE 78 CO 0.33 0.37 1.17 -1.13 0.70 0.00 0.00 175.22 176.67 1otk n SER 79 N 0.84 1.59 -4.82 1.36 3.41 -1.26 -3.51 113.62 111.24 1otk n SER 79 Ca -0.03 -3.20 -0.31 0.00 -0.26 0.00 0.00 58.87 55.07 1otk n SER 79 Cb 0.51 -0.43 0.05 0.00 -0.26 0.00 0.00 64.21 64.07 1otk n SER 79 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1otk s ASN 80 N -2.73 5.41 0.54 4.04 4.22 -1.25 -3.93 114.94 121.24 1otk s ASN 80 Ca 0.32 1.64 -0.19 0.00 -2.14 0.00 0.00 52.86 52.49 1otk s ASN 80 Cb 0.32 -2.50 -0.06 0.00 1.28 0.00 0.00 41.25 40.29 1otk s ASN 80 CO -0.06 -1.42 1.12 -0.76 -2.04 0.00 0.00 177.10 173.95 1otk s LEU 81 N -5.45 3.75 0.43 3.54 1.43 -1.26 -3.83 118.68 117.29 1otk s LEU 81 Ca 0.59 2.16 0.13 0.00 -1.03 0.00 0.00 54.13 55.98 1otk s LEU 81 Cb -0.14 -4.58 0.94 0.00 0.03 0.00 0.00 46.19 42.44 1otk s LEU 81 CO 0.53 -1.20 1.97 -0.07 0.23 0.00 0.00 176.35 177.82 1otk h LEU 82 N 1.21 0.05 -1.17 1.79 3.38 -1.93 -3.10 115.31 115.55 1otk h LEU 82 Ca -0.50 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.57 1otk h LEU 82 Cb 1.26 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 1otk h LEU 82 CO 0.57 0.23 0.59 0.25 0.09 0.00 0.00 178.44 180.17 1otk h LEU 83 N 0.06 0.82 -0.11 1.67 5.85 -1.92 -2.71 115.31 118.96 1otk h LEU 83 Ca 0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1otk h LEU 83 Cb 0.34 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1otk h LEU 83 CO 0.02 0.46 0.00 -0.37 -0.34 0.00 0.00 178.44 178.22 1otk h VAL 84 N 0.89 0.00 -0.01 1.05 -1.51 -1.91 -3.20 116.25 111.56 1otk h VAL 84 Ca 0.44 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1otk h VAL 84 Cb 0.46 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1otk h VAL 84 CO -0.20 0.00 -0.30 -1.84 -1.23 0.00 0.00 177.57 174.00 1otk n GLU 85 N -2.43 0.98 -1.97 5.19 0.28 -1.03 -4.15 120.64 117.51 1otk n GLU 85 Ca 0.05 -0.65 -0.37 0.00 -0.16 0.00 0.00 57.16 56.03 1otk n GLU 85 Cb 0.42 -1.49 0.03 0.00 1.43 0.00 0.00 31.44 31.83 1otk n GLU 85 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1otk s GLN 86 N -2.47 3.26 0.68 3.44 -1.52 -1.21 -4.59 119.66 117.25 1otk s GLN 86 Ca 0.24 2.01 -0.17 0.00 -1.95 0.00 0.00 55.36 55.48 1otk s GLN 86 Cb 0.19 -2.21 0.01 0.00 -0.22 0.00 0.00 33.01 30.77 1otk s GLN 86 CO 0.52 -1.02 1.28 -2.14 -0.25 0.00 0.00 175.29 173.68 1otk s PRO 87 N -2.95 2.37 0.32 2.91 0.02 -1.26 -4.92 135.00 131.48 1otk s PRO 87 Ca 0.71 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1otk s PRO 87 Cb -0.35 -1.83 0.52 0.00 0.02 0.00 0.00 34.50 32.86 1otk s PRO 87 CO 0.40 -1.72 1.95 -0.91 -0.33 0.00 0.00 177.00 176.39 1otk h ASN 88 N 0.27 0.80 0.00 2.53 2.35 -1.93 -3.46 115.58 116.14 1otk h ASN 88 Ca -0.50 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 1otk h ASN 88 Cb 1.33 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1otk h ASN 88 CO 0.52 0.64 0.00 0.61 -1.65 0.00 0.00 177.43 177.54 1otk n GLY 89 N -1.26 1.60 3.96 2.83 0.00 -1.26 -2.85 105.19 108.21 1otk n GLY 89 Ca 0.06 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 1otk n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1otk s ASN 90 N -4.00 3.83 0.31 1.61 2.20 -1.26 -4.85 114.94 112.77 1otk s ASN 90 Ca 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 52.86 51.96 1otk s ASN 90 Cb 0.00 -0.25 0.63 0.00 -2.00 0.00 0.00 41.25 39.63 1otk s ASN 90 CO 0.00 -2.24 1.86 0.15 -2.94 0.00 0.00 177.10 173.93 1otk h PHE 91 N -1.05 1.03 -0.53 1.54 3.57 -1.99 -1.64 116.94 117.88 1otk h PHE 91 Ca -0.41 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.12 1otk h PHE 91 Cb 1.26 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1otk h PHE 91 CO -0.58 0.42 0.31 0.00 -2.23 0.00 0.00 178.31 176.23 1otk h ALA 92 N 1.56 0.67 -0.86 2.41 0.00 -1.90 -0.01 119.26 121.13 1otk h ALA 92 Ca 0.47 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1otk h ALA 92 Cb 0.52 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1otk h ALA 92 CO -0.23 0.16 0.44 -0.44 0.00 0.00 0.00 179.25 179.18 1otk h ASP 93 N 0.71 1.09 -0.20 0.00 3.32 -1.55 -0.89 116.42 118.90 1otk h ASP 93 Ca 0.19 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1otk h ASP 93 Cb -0.00 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1otk h ASP 93 CO -0.03 0.90 -0.21 0.74 -1.72 0.00 0.00 179.24 178.92 1otk h THR 94 N 1.21 1.27 -0.43 0.35 2.02 -1.03 -2.01 112.91 114.28 1otk h THR 94 Ca 0.30 -1.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.06 1otk h THR 94 Cb 0.08 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1otk h THR 94 CO -0.04 0.42 -0.28 0.40 0.37 0.00 0.00 175.52 176.39 1otk h ILE 95 N 0.57 1.27 -0.29 3.11 1.08 -0.47 -0.99 117.51 121.80 1otk h ILE 95 Ca 0.09 -1.44 -0.04 0.00 -0.39 0.00 0.00 64.86 63.07 1otk h ILE 95 Cb 0.68 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 1otk h ILE 95 CO 0.05 0.49 0.04 0.00 -0.69 0.00 0.00 178.15 178.04 1otk h ALA 96 N 0.82 0.39 -0.57 1.87 0.00 -1.07 0.37 119.26 121.07 1otk h ALA 96 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1otk h ALA 96 Cb 0.86 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1otk h ALA 96 CO 0.08 0.09 0.36 -0.09 0.00 0.00 0.00 179.25 179.69 1otk h ARG 97 N 0.30 0.77 -0.28 0.00 2.43 -1.33 -1.80 114.38 114.47 1otk h ARG 97 Ca 0.09 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1otk h ARG 97 Cb 0.35 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1otk h ARG 97 CO 0.01 0.53 0.03 0.37 -1.51 0.00 0.00 179.97 179.40 1otk h GLN 98 N 0.78 0.48 -0.47 0.20 5.75 -0.99 -2.27 115.11 118.58 1otk h GLN 98 Ca 0.21 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1otk h GLN 98 Cb -0.05 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1otk h GLN 98 CO -0.04 0.61 0.26 -0.92 -2.65 0.00 0.00 178.83 176.09 1otk h TYR 99 N 0.29 0.63 -0.41 3.99 3.20 -0.80 0.33 116.97 124.20 1otk h TYR 99 Ca 0.08 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1otk h TYR 99 Cb 0.37 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1otk h TYR 99 CO 0.03 0.47 0.24 0.74 -1.64 0.00 0.00 178.16 177.99 1otk h PHE 100 N 0.62 0.56 -0.09 -3.82 0.04 -1.29 -1.12 116.94 111.84 1otk h PHE 100 Ca 0.17 -0.01 -0.20 0.00 2.80 0.00 0.00 57.97 60.73 1otk h PHE 100 Cb 0.04 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.01 1otk h PHE 100 CO -0.02 0.41 -0.78 0.97 -0.60 0.00 0.00 178.31 178.29 1otk h ILE 101 N 0.54 1.35 -0.52 -0.55 6.09 -1.22 -2.65 117.51 120.56 1otk h ILE 101 Ca 0.15 -2.13 -0.02 0.00 -1.37 0.00 0.00 64.86 61.49 1otk h ILE 101 Cb 0.02 2.12 -0.02 0.00 0.47 0.00 0.00 36.82 39.40 1otk h ILE 101 CO -0.03 0.65 0.26 0.44 -3.07 0.00 0.00 178.15 176.40 1otk h ASP 102 N 0.35 0.67 -0.42 2.19 3.32 -0.19 0.37 116.42 122.71 1otk h ASP 102 Ca -0.05 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1otk h ASP 102 Cb 1.38 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1otk h ASP 102 CO 0.14 0.60 0.09 0.00 -1.72 0.00 0.00 179.24 178.35 1otk h ALA 103 N 1.10 1.23 -0.16 3.45 0.00 -1.23 -1.04 119.26 122.60 1otk h ALA 103 Ca 0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1otk h ALA 103 Cb 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1otk h ALA 103 CO -0.02 0.52 -0.05 2.35 0.00 0.00 0.00 179.25 182.06 1otk h TRP 104 N 0.73 0.36 -0.48 0.00 7.01 -0.98 -2.55 115.95 120.04 1otk h TRP 104 Ca 0.16 -0.08 0.03 0.00 2.11 0.00 0.00 58.89 61.11 1otk h TRP 104 Cb 0.32 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.26 1otk h TRP 104 CO 0.02 0.60 0.27 0.45 -2.79 0.00 0.00 178.44 176.98 1otk h HIS 105 N 0.02 0.50 -0.49 2.65 3.86 0.04 0.13 115.15 121.86 1otk h HIS 105 Ca 0.04 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1otk h HIS 105 Cb 0.48 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 1otk h HIS 105 CO 0.05 0.27 0.32 0.28 0.86 0.00 0.00 177.93 179.71 1otk h VAL 106 N 0.53 1.10 -0.37 2.45 2.07 -1.20 0.12 116.25 120.95 1otk h VAL 106 Ca 0.20 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1otk h VAL 106 Cb 0.06 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1otk h VAL 106 CO -0.11 0.12 0.04 0.00 0.02 0.00 0.00 177.57 177.64 1otk h ALA 107 N 1.20 0.50 0.44 1.67 0.00 -1.07 -2.20 119.26 119.79 1otk h ALA 107 Ca 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1otk h ALA 107 Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1otk h ALA 107 CO -0.06 0.23 -0.21 1.25 0.00 0.00 0.00 179.25 180.46 1otk h LEU 108 N 0.47 -0.50 -1.71 0.00 5.85 -0.48 -3.00 115.31 115.93 1otk h LEU 108 Ca 0.11 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1otk h LEU 108 Cb 0.40 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1otk h LEU 108 CO 0.01 -0.23 -0.16 -0.26 -0.34 0.00 0.00 178.44 177.46 1otk h PHE 109 N -0.77 0.00 -0.46 1.25 0.04 -0.82 0.20 116.94 116.38 1otk h PHE 109 Ca -0.06 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 1otk h PHE 109 Cb 0.54 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1otk h PHE 109 CO -0.01 0.16 0.15 1.15 -0.60 0.00 0.00 178.31 179.17 1otk h THR 110 N 0.00 1.22 0.20 -1.55 2.02 -1.37 -2.51 112.91 110.93 1otk h THR 110 Ca -0.00 -0.73 -0.31 0.00 0.77 0.00 0.00 66.41 66.14 1otk h THR 110 Cb 0.43 0.82 0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1otk h THR 110 CO 0.02 0.26 -1.38 0.03 0.37 0.00 0.00 175.52 174.82 1otk h ARG 111 N 0.61 0.47 0.00 6.66 2.47 -1.26 -3.32 114.38 120.01 1otk h ARG 111 Ca 0.15 -0.78 0.00 0.00 -1.26 0.00 0.00 59.98 58.09 1otk h ARG 111 Cb 0.25 0.29 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1otk h ARG 111 CO -0.01 1.37 0.00 1.25 0.56 0.00 0.00 179.97 183.14 1otk h LEU 112 N 0.14 0.00 -2.75 3.04 5.85 -0.60 -2.07 115.31 118.92 1otk h LEU 112 Ca -0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1otk h LEU 112 Cb 2.08 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.11 1otk h LEU 112 CO 0.25 0.00 -0.00 0.24 -0.34 0.00 0.00 178.44 178.59 1otk h MET 113 N 0.00 0.00 -0.07 1.25 2.86 -1.54 -0.07 114.93 117.35 1otk h MET 113 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1otk h MET 113 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1otk h MET 113 CO 0.00 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.36 1otk n GLU 114 N -3.20 1.71 -1.71 1.72 1.02 -0.78 -4.77 120.64 114.64 1otk n GLU 114 Ca -0.03 -1.04 -0.42 0.00 -0.02 0.00 0.00 57.16 55.65 1otk n GLU 114 Cb 0.10 -1.45 -0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1otk n GLU 114 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1otk n SER 115 N 0.26 2.79 0.11 1.62 2.88 -0.04 -4.88 113.62 116.35 1otk n SER 115 Ca 0.18 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 59.02 1otk n SER 115 Cb 0.35 -1.50 0.46 0.00 -0.75 0.00 0.00 64.21 62.77 1otk n SER 115 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1otk n ARG 116 N 0.40 0.18 -2.87 -1.46 1.74 0.04 -4.42 116.66 110.27 1otk n ARG 116 Ca 0.05 0.34 -0.43 0.00 -0.77 0.00 0.00 57.85 57.04 1otk n ARG 116 Cb 0.37 -1.80 -0.04 0.00 -1.02 0.00 0.00 32.46 29.97 1otk n ARG 116 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1otk s ASP 117 N -4.12 6.58 0.50 0.55 -1.08 -1.26 -4.92 116.67 112.91 1otk s ASP 117 Ca 0.06 0.36 0.15 0.00 -0.52 0.00 0.00 52.55 52.60 1otk s ASP 117 Cb 0.10 -2.43 1.20 0.00 -1.46 0.00 0.00 42.92 40.33 1otk s ASP 117 CO 0.43 -0.86 2.11 1.55 0.52 0.00 0.00 175.17 178.92 1otk h PRO 118 N 8.65 0.02 -0.09 4.34 0.13 -1.99 -0.53 132.00 142.53 1otk h PRO 118 Ca -0.24 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.78 1otk h PRO 118 Cb 1.08 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1otk h PRO 118 CO 0.97 0.05 -0.36 0.37 -0.23 0.00 0.00 178.00 178.80 1otk h GLN 119 N 0.02 0.40 -0.69 0.86 5.75 -1.94 -0.54 115.11 118.97 1otk h GLN 119 Ca 0.00 -0.31 -0.06 0.00 -0.15 0.00 0.00 58.65 58.13 1otk h GLN 119 Cb 0.07 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1otk h GLN 119 CO 0.00 0.94 0.20 -0.07 -2.65 0.00 0.00 178.83 177.26 1otk h LEU 120 N -0.06 1.03 -0.63 -2.39 3.38 -1.88 -0.54 115.31 114.22 1otk h LEU 120 Ca -0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1otk h LEU 120 Cb 1.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1otk h LEU 120 CO 0.08 0.98 0.28 0.00 0.09 0.00 0.00 178.44 179.86 1otk h ALA 121 N 1.09 0.82 -0.51 1.53 0.00 -1.08 -1.62 119.26 119.49 1otk h ALA 121 Ca 0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1otk h ALA 121 Cb 0.33 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1otk h ALA 121 CO -0.00 0.41 -0.02 0.00 0.00 0.00 0.00 179.25 179.64 1otk h ALA 122 N 1.12 0.68 -0.65 0.00 0.00 -0.77 -1.86 119.26 117.78 1otk h ALA 122 Ca 0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1otk h ALA 122 Cb 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1otk h ALA 122 CO -0.02 0.51 0.27 0.82 0.00 0.00 0.00 179.25 180.83 1otk h ILE 123 N 0.77 1.23 -0.50 0.00 2.04 -0.95 -2.65 117.51 117.46 1otk h ILE 123 Ca 0.14 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1otk h ILE 123 Cb 0.55 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1otk h ILE 123 CO 0.03 0.29 0.12 0.28 0.00 0.00 0.00 178.15 178.86 1otk h SER 124 N 0.91 0.71 -0.24 1.72 0.02 -1.13 -0.45 113.55 115.08 1otk h SER 124 Ca 0.22 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1otk h SER 124 Cb 0.19 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1otk h SER 124 CO -0.02 0.71 0.14 0.00 -1.14 0.00 0.00 176.83 176.51 1otk h ALA 125 N 1.39 1.75 0.15 3.77 0.00 -0.98 -0.54 119.26 124.80 1otk h ALA 125 Ca 0.16 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 1otk h ALA 125 Cb 0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1otk h ALA 125 CO -0.00 0.22 -1.65 0.87 0.00 0.00 0.00 179.25 178.69 1otk h LYS 126 N 0.36 0.31 -0.92 0.00 1.79 -1.30 -3.38 116.57 113.44 1otk h LYS 126 Ca 0.10 -0.53 -0.02 0.00 -2.18 0.00 0.00 60.65 58.02 1otk h LYS 126 Cb 0.02 0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1otk h LYS 126 CO -0.02 1.25 0.51 0.00 -1.08 0.00 0.00 179.45 180.12 1otk h ALA 127 N 0.03 1.18 -0.94 3.86 0.00 -0.87 -2.90 119.26 119.62 1otk h ALA 127 Ca -0.34 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.57 1otk h ALA 127 Cb 1.94 -0.37 -0.08 0.00 0.00 0.00 0.00 17.79 19.28 1otk h ALA 127 CO 0.11 0.67 0.56 0.97 0.00 0.00 0.00 179.25 181.57 1otk h ILE 128 N 1.28 0.87 -0.70 0.00 6.09 -1.27 0.23 117.51 124.01 1otk h ILE 128 Ca 0.32 -0.30 -0.07 0.00 -1.37 0.00 0.00 64.86 63.45 1otk h ILE 128 Cb 0.01 -0.08 -0.03 0.00 0.47 0.00 0.00 36.82 37.19 1otk h ILE 128 CO -0.05 0.16 0.18 0.11 -3.07 0.00 0.00 178.15 175.47 1otk h LYS 129 N 0.88 1.12 -0.19 2.19 1.57 -1.69 -1.50 116.57 118.94 1otk h LYS 129 Ca 0.47 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1otk h LYS 129 Cb 0.51 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1otk h LYS 129 CO -0.28 0.98 -0.22 0.93 -0.57 0.00 0.00 179.45 180.29 1otk h GLU 130 N 1.05 0.49 -0.79 3.15 5.08 -1.22 -3.16 114.58 119.18 1otk h GLU 130 Ca 0.22 -0.27 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1otk h GLU 130 Cb 0.36 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1otk h GLU 130 CO 0.00 0.85 0.52 0.00 -1.00 0.00 0.00 179.01 179.39 1otk h ALA 131 N 0.63 1.62 -0.56 3.43 0.00 -0.42 -1.54 119.26 122.42 1otk h ALA 131 Ca 0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1otk h ALA 131 Cb 0.78 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1otk h ALA 131 CO 0.05 0.27 0.11 0.00 0.00 0.00 0.00 179.25 179.68 1otk h ARG 132 N 0.87 0.89 -0.21 0.00 3.08 -1.25 -0.77 114.38 117.00 1otk h ARG 132 Ca 0.34 -0.20 -0.17 0.00 0.07 0.00 0.00 59.98 60.01 1otk h ARG 132 Cb 0.21 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1otk h ARG 132 CO -0.12 0.81 -0.58 1.88 -1.07 0.00 0.00 179.97 180.90 1otk h TYR 133 N 0.85 0.83 -0.20 3.04 0.05 -1.30 -1.92 116.97 118.31 1otk h TYR 133 Ca 0.18 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.66 1otk h TYR 133 Cb 0.35 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 1otk h TYR 133 CO 0.02 1.07 0.13 0.45 -1.05 0.00 0.00 178.16 178.79 1otk h HIS 134 N 0.50 0.26 -0.96 4.88 3.86 -0.98 -1.92 115.15 120.78 1otk h HIS 134 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1otk h HIS 134 Cb 1.15 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 29.48 1otk h HIS 134 CO 0.06 0.19 0.59 1.25 0.86 0.00 0.00 177.93 180.87 1otk h LEU 135 N 0.26 1.15 -0.89 2.43 5.85 -1.09 0.11 115.31 123.13 1otk h LEU 135 Ca 0.07 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1otk h LEU 135 Cb -0.01 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 1otk h LEU 135 CO -0.02 0.87 0.50 -0.09 -0.34 0.00 0.00 178.44 179.36 1otk h ARG 136 N 1.32 1.23 0.31 1.25 2.43 -1.03 0.12 114.38 120.03 1otk h ARG 136 Ca 0.35 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1otk h ARG 136 Cb -0.07 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.23 1otk h ARG 136 CO -0.07 0.90 -0.15 0.35 -1.51 0.00 0.00 179.97 179.49 1otk h PHE 137 N 1.24 -0.39 -0.66 2.20 3.57 -0.56 -2.25 116.94 120.10 1otk h PHE 137 Ca 0.31 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1otk h PHE 137 Cb 0.01 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1otk h PHE 137 CO 0.01 -0.05 0.30 0.66 -2.23 0.00 0.00 178.31 177.01 1otk h SER 138 N -0.89 0.87 -0.28 0.41 4.64 -0.75 -1.93 113.55 115.62 1otk h SER 138 Ca -0.04 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.03 1otk h SER 138 Cb 0.52 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1otk h SER 138 CO 0.07 0.77 -0.19 -0.09 -0.87 0.00 0.00 176.83 176.52 1otk h ARG 139 N 0.91 0.74 -0.82 4.77 2.43 -0.86 -1.41 114.38 120.14 1otk h ARG 139 Ca 0.22 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1otk h ARG 139 Cb 0.14 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 1otk h ARG 139 CO -0.03 0.88 0.43 0.78 -1.51 0.00 0.00 179.97 180.52 1otk h GLY 140 N 0.97 1.24 1.75 2.80 0.00 -1.07 -1.39 103.07 107.38 1otk h GLY 140 Ca 0.10 -0.59 -0.18 0.00 0.00 0.00 0.00 47.33 46.66 1otk h GLY 140 CO 0.05 0.56 -0.77 1.49 0.00 0.00 0.00 176.54 177.87 1otk h TRP 141 N 1.15 0.33 -0.12 5.60 4.06 -1.21 -1.69 115.95 124.08 1otk h TRP 141 Ca 0.29 -0.16 0.01 0.00 2.06 0.00 0.00 58.89 61.09 1otk h TRP 141 Cb 0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 1otk h TRP 141 CO 0.01 0.91 0.04 1.25 -3.56 0.00 0.00 178.44 177.09 1otk h LEU 142 N 0.15 0.04 -0.23 -4.49 5.85 -0.92 0.55 115.31 116.27 1otk h LEU 142 Ca -0.03 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1otk h LEU 142 Cb 1.35 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 1otk h LEU 142 CO 0.12 0.04 0.13 -0.33 -0.34 0.00 0.00 178.44 178.06 1otk h GLU 143 N 0.09 0.27 -0.50 1.25 3.07 -1.19 0.24 114.58 117.80 1otk h GLU 143 Ca 0.05 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 1otk h GLU 143 Cb 0.03 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1otk h GLU 143 CO -0.05 0.18 0.16 -0.09 -1.40 0.00 0.00 179.01 177.81 1otk h ARG 144 N 0.27 0.78 -0.29 2.33 2.43 -1.06 -0.20 114.38 118.65 1otk h ARG 144 Ca 0.09 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 1otk h ARG 144 Cb -0.00 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1otk h ARG 144 CO -0.04 0.73 -0.33 -0.07 -1.51 0.00 0.00 179.97 178.75 1otk h LEU 145 N 0.68 0.79 -1.18 3.80 3.38 -0.80 -2.09 115.31 119.90 1otk h LEU 145 Ca 0.16 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1otk h LEU 145 Cb 0.27 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1otk h LEU 145 CO -0.01 1.11 -0.05 1.23 0.09 0.00 0.00 178.44 180.82 1otk h GLY 146 N 0.48 0.55 -2.24 0.83 0.00 -0.84 -2.72 103.07 99.14 1otk h GLY 146 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1otk h GLY 146 CO 0.08 0.32 0.00 0.70 0.00 0.00 0.00 176.54 177.64 1otk n ASN 147 N -4.25 3.27 0.00 0.19 5.03 -0.10 -4.58 115.26 114.82 1otk n ASN 147 Ca 0.01 -2.02 0.00 0.00 0.87 0.00 0.00 54.58 53.44 1otk n ASN 147 Cb 0.28 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.63 1otk n ASN 147 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1otk n GLY 148 N 1.44 1.06 3.80 7.41 0.00 -0.79 -5.02 105.19 113.09 1otk n GLY 148 Ca 0.20 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1otk n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1otk s THR 149 N 1.04 3.78 0.52 2.61 -4.23 -1.26 -4.81 115.64 113.30 1otk s THR 149 Ca 0.00 0.64 0.18 0.00 -1.18 0.00 0.00 61.69 61.33 1otk s THR 149 Cb 0.00 -3.27 0.28 0.00 1.34 0.00 0.00 72.50 70.85 1otk s THR 149 CO 0.00 -0.70 2.15 0.44 -0.54 0.00 0.00 174.62 175.97 1otk h ASP 150 N -0.58 0.00 -0.19 3.99 3.45 -1.93 0.43 116.42 121.59 1otk h ASP 150 Ca -0.44 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 56.99 1otk h ASP 150 Cb 1.22 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.98 1otk h ASP 150 CO 0.55 0.02 0.03 0.58 -1.57 0.00 0.00 179.24 178.86 1otk h VAL 151 N 0.00 1.22 -0.22 -1.35 2.07 -1.96 0.15 116.25 116.16 1otk h VAL 151 Ca -0.00 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 1otk h VAL 151 Cb 0.04 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1otk h VAL 151 CO 0.00 0.22 -0.32 0.77 0.02 0.00 0.00 177.57 178.26 1otk h SER 152 N 0.11 0.45 -0.85 0.57 4.64 -1.60 -1.69 113.55 115.19 1otk h SER 152 Ca 0.06 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1otk h SER 152 Cb 0.30 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 1otk h SER 152 CO 0.00 0.75 0.42 1.23 -0.87 0.00 0.00 176.83 178.37 1otk h GLY 153 N 1.07 1.30 1.08 -0.77 0.00 -0.65 -0.54 103.07 104.56 1otk h GLY 153 Ca 0.05 -0.63 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 1otk h GLY 153 CO 0.06 0.60 0.00 1.46 0.00 0.00 0.00 176.54 178.66 1otk h GLN 154 N 1.20 1.07 -0.56 4.80 4.20 -0.29 0.64 115.11 126.18 1otk h GLN 154 Ca 0.29 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1otk h GLN 154 Cb 0.09 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1otk h GLN 154 CO -0.04 1.04 0.09 0.87 -0.67 0.00 0.00 178.83 180.12 1otk h LYS 155 N 0.97 0.89 -0.31 1.46 1.57 -0.87 -0.06 116.57 120.23 1otk h LYS 155 Ca 0.17 -0.21 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1otk h LYS 155 Cb 0.56 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1otk h LYS 155 CO 0.03 0.83 -0.39 1.98 -0.57 0.00 0.00 179.45 181.33 1otk h MET 156 N 0.84 0.81 -0.68 3.15 4.05 -0.80 -1.59 114.93 120.72 1otk h MET 156 Ca 0.17 -0.46 -0.07 0.00 -0.28 0.00 0.00 59.70 59.06 1otk h MET 156 Cb 0.38 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1otk h MET 156 CO 0.01 1.09 0.14 0.37 0.23 0.00 0.00 176.91 178.75 1otk h GLN 157 N 0.58 1.09 -0.46 0.39 5.75 -0.64 -1.96 115.11 119.86 1otk h GLN 157 Ca 0.04 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.20 1otk h GLN 157 Cb 0.98 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 1otk h GLN 157 CO 0.09 0.97 -0.00 1.96 -2.65 0.00 0.00 178.83 179.20 1otk h GLN 158 N 1.03 0.77 -0.42 1.69 4.20 -0.89 -1.17 115.11 120.31 1otk h GLN 158 Ca 0.21 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1otk h GLN 158 Cb 0.39 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1otk h GLN 158 CO 0.01 0.78 0.07 0.00 -0.67 0.00 0.00 178.83 179.02 1otk h ALA 159 N 1.28 0.56 -0.54 3.87 0.00 -0.98 -1.51 119.26 121.94 1otk h ALA 159 Ca 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1otk h ALA 159 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1otk h ALA 159 CO 0.02 0.27 0.28 0.82 0.00 0.00 0.00 179.25 180.65 1otk h ILE 160 N 0.56 1.19 -0.63 0.00 2.04 -1.10 -2.68 117.51 116.88 1otk h ILE 160 Ca 0.13 -0.49 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 1otk h ILE 160 Cb 0.37 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1otk h ILE 160 CO 0.01 0.20 0.03 0.78 0.00 0.00 0.00 178.15 179.18 1otk h ASN 161 N 0.72 1.07 1.52 1.72 2.35 -1.03 -2.21 115.58 119.72 1otk h ASN 161 Ca 0.19 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1otk h ASN 161 Cb 0.07 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1otk h ASN 161 CO -0.03 1.10 -0.25 0.07 -1.65 0.00 0.00 177.43 176.66 1otk h LYS 162 N 1.00 0.00 -0.01 0.81 2.10 -1.22 -3.25 116.57 116.01 1otk h LYS 162 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 1otk h LYS 162 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1otk h LYS 162 CO 0.03 0.25 -0.49 1.28 -2.00 0.00 0.00 179.45 178.52 1otk n LEU 163 N -3.21 1.96 0.24 7.07 4.77 -1.02 -4.35 117.00 122.46 1otk n LEU 163 Ca 0.02 -0.75 0.08 0.00 -0.03 0.00 0.00 56.01 55.33 1otk n LEU 163 Cb 0.58 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 42.26 1otk n LEU 163 CO 0.36 0.37 0.93 -0.25 -1.33 0.00 0.00 177.39 177.47 1otk h TRP 164 N 2.29 0.00 0.00 -1.77 2.91 -1.42 -1.86 115.95 116.10 1otk h TRP 164 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1otk h TRP 164 Cb 0.73 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.38 1otk h TRP 164 CO 0.00 0.16 0.00 2.89 -1.03 0.00 0.00 178.44 180.46 1otk n ARG 165 N -4.05 0.10 -0.13 2.65 1.85 -1.26 -1.80 116.66 114.02 1otk n ARG 165 Ca -0.02 0.23 0.06 0.00 -1.00 0.00 0.00 57.85 57.12 1otk n ARG 165 Cb 0.24 -1.50 0.12 0.00 -1.05 0.00 0.00 32.46 30.28 1otk n ARG 165 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1otk n PHE 166 N -1.36 0.33 0.02 2.89 3.72 -0.70 -2.16 117.46 120.20 1otk n PHE 166 Ca 0.04 -0.34 -0.17 0.00 -0.05 0.00 0.00 57.45 56.93 1otk n PHE 166 Cb 0.09 -0.02 -0.14 0.00 -0.94 0.00 0.00 39.48 38.47 1otk n PHE 166 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1otk h THR 167 N 2.14 0.87 -0.78 4.37 1.35 -1.46 -3.38 112.91 116.03 1otk h THR 167 Ca 0.00 -2.58 0.08 0.00 -0.55 0.00 0.00 66.41 63.36 1otk h THR 167 Cb 0.66 2.59 -0.05 0.00 -1.73 0.00 0.00 68.15 69.61 1otk h THR 167 CO 0.00 0.78 0.51 0.00 -0.25 0.00 0.00 175.52 176.56 1otk h ALA 168 N 0.43 1.71 -0.34 6.62 0.00 -1.82 -1.95 119.26 123.90 1otk h ALA 168 Ca -0.33 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.67 1otk h ALA 168 Cb 2.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1otk h ALA 168 CO 0.12 0.15 0.27 1.49 0.00 0.00 0.00 179.25 181.28 1otk h GLU 169 N 0.78 0.00 0.00 0.00 4.81 -1.81 -1.30 114.58 117.05 1otk h GLU 169 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1otk h GLU 169 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1otk h GLU 169 CO -0.13 0.00 0.00 -0.07 -0.73 0.00 0.00 179.01 178.08 1otk h LEU 170 N 0.00 0.00 -2.64 1.64 4.07 -1.57 -3.15 115.31 113.66 1otk h LEU 170 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1otk h LEU 170 Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1otk h LEU 170 CO -0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.85 1otk n PHE 171 N -2.31 0.06 -3.36 1.13 3.72 -0.49 -4.81 117.46 111.40 1otk n PHE 171 Ca 0.01 -0.41 -0.38 0.00 -0.05 0.00 0.00 57.45 56.61 1otk n PHE 171 Cb 0.15 -0.04 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 1otk n PHE 171 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1otk s ASP 172 N -0.85 6.96 -0.14 4.37 1.01 -1.19 -2.75 116.67 124.08 1otk s ASP 172 Ca 0.04 1.14 -0.04 0.00 0.71 0.00 0.00 52.55 54.40 1otk s ASP 172 Cb 0.02 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 1otk s ASP 172 CO 0.03 0.29 -0.02 0.00 0.21 0.00 0.00 175.17 175.68 1otk s ALA 173 N -1.12 3.12 0.24 5.23 0.00 -1.26 -4.72 121.76 123.26 1otk s ALA 173 Ca 0.27 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.46 1otk s ALA 173 Cb -0.18 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.39 1otk s ALA 173 CO 0.17 0.30 0.29 -0.40 0.00 0.00 0.00 175.76 176.12 1otk n ASP 174 N 3.21 1.15 -0.33 0.00 5.68 -1.26 -4.91 116.55 120.09 1otk n ASP 174 Ca -0.17 -1.70 0.02 0.00 -0.50 0.00 0.00 54.79 52.44 1otk n ASP 174 Cb 0.53 -0.13 0.20 0.00 -1.14 0.00 0.00 41.12 40.57 1otk n ASP 174 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1otk h GLU 175 N 0.00 1.10 -0.38 0.11 3.07 -1.99 -1.55 114.58 114.93 1otk h GLU 175 Ca -0.12 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.64 1otk h GLU 175 Cb 0.53 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1otk h GLU 175 CO 0.18 0.73 0.11 0.82 -1.40 0.00 0.00 179.01 179.45 1otk h ILE 176 N 1.13 1.22 -0.55 3.13 2.04 -1.95 -0.84 117.51 121.69 1otk h ILE 176 Ca 0.39 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1otk h ILE 176 Cb 0.10 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1otk h ILE 176 CO -0.14 0.25 0.34 0.44 0.00 0.00 0.00 178.15 179.05 1otk h ASP 177 N 0.47 0.64 -0.18 1.72 3.32 -1.78 -1.95 116.42 118.66 1otk h ASP 177 Ca 0.12 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1otk h ASP 177 Cb 0.28 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1otk h ASP 177 CO -0.00 0.50 -0.06 0.40 -1.72 0.00 0.00 179.24 178.36 1otk h ILE 178 N 0.73 1.29 -0.14 0.35 2.04 -1.18 -0.66 117.51 119.94 1otk h ILE 178 Ca 0.20 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1otk h ILE 178 Cb -0.04 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1otk h ILE 178 CO -0.04 0.32 0.06 0.00 0.00 0.00 0.00 178.15 178.49 1otk h ALA 179 N 0.71 0.18 -0.04 1.87 0.00 -1.10 -2.04 119.26 118.85 1otk h ALA 179 Ca 0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1otk h ALA 179 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1otk h ALA 179 CO 0.02 -0.24 -0.50 -0.07 0.00 0.00 0.00 179.25 178.45 1otk h LEU 180 N 0.09 0.12 -0.49 0.00 3.38 -1.40 -3.00 115.31 114.01 1otk h LEU 180 Ca 0.05 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1otk h LEU 180 Cb 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1otk h LEU 180 CO -0.01 0.60 -0.75 0.77 0.09 0.00 0.00 178.44 179.15 1otk h SER 181 N 0.09 0.05 0.85 -0.43 4.64 -1.00 0.17 113.55 117.92 1otk h SER 181 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1otk h SER 181 Cb 0.92 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1otk h SER 181 CO 0.07 0.78 0.00 -0.33 -0.87 0.00 0.00 176.83 176.48 1otk h GLU 182 N 0.03 0.00 -0.28 4.77 5.08 -1.24 -0.98 114.58 121.96 1otk h GLU 182 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1otk h GLU 182 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1otk h GLU 182 CO 0.10 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.50 1otk n GLU 183 N -2.83 2.21 -1.51 2.33 -0.58 -0.99 -4.94 120.64 114.33 1otk n GLU 183 Ca 0.01 -1.82 -0.13 0.00 -0.42 0.00 0.00 57.16 54.79 1otk n GLU 183 Cb 0.26 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.62 1otk n GLU 183 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1otk n GLY 184 N 1.36 1.15 0.13 0.62 0.00 -0.37 -4.83 105.19 103.25 1otk n GLY 184 Ca 0.18 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1otk n GLY 184 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1otk n ILE 185 N -2.83 1.53 -3.90 -0.61 5.41 -0.00 -0.78 119.36 118.19 1otk n ILE 185 Ca -0.13 -0.38 -0.22 0.00 1.00 0.00 0.00 62.75 63.01 1otk n ILE 185 Cb 0.46 -1.82 -0.04 0.00 -0.71 0.00 0.00 39.64 37.53 1otk n ILE 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1otk s ALA 186 N -2.50 3.74 -0.19 -1.39 0.00 -0.90 -4.53 121.76 116.00 1otk s ALA 186 Ca -0.37 -1.71 -0.14 0.00 0.00 0.00 0.00 51.96 49.75 1otk s ALA 186 Cb 0.13 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1otk s ALA 186 CO 0.53 0.01 0.30 0.08 0.00 0.00 0.00 175.76 176.68 1otk s VAL 187 N -2.34 5.28 -0.31 0.00 1.01 -1.26 -4.01 120.40 118.77 1otk s VAL 187 Ca 0.40 0.52 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 1otk s VAL 187 Cb -0.05 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1otk s VAL 187 CO 0.25 0.33 1.67 -0.62 0.00 0.00 0.00 175.10 176.74 1otk s ASP 188 N 0.77 6.13 0.43 3.32 -1.08 -1.26 -4.88 116.67 120.11 1otk s ASP 188 Ca 0.15 1.31 0.22 0.00 -0.52 0.00 0.00 52.55 53.72 1otk s ASP 188 Cb -0.14 -2.53 1.19 0.00 -1.46 0.00 0.00 42.92 39.98 1otk s ASP 188 CO 0.05 -1.51 1.81 -0.65 0.52 0.00 0.00 175.17 175.39 1otk h PRO 189 N 11.78 0.30 -0.28 4.34 0.11 -1.85 -0.45 132.00 145.96 1otk h PRO 189 Ca -0.33 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.79 1otk h PRO 189 Cb 1.15 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1otk h PRO 189 CO 1.03 0.20 0.19 0.00 -0.21 0.00 0.00 178.00 179.21 1otk h ARG 190 N 0.31 0.26 -0.00 1.05 3.08 -1.81 -1.80 114.38 115.47 1otk h ARG 190 Ca 0.54 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.58 1otk h ARG 190 Cb 1.53 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.52 1otk h ARG 190 CO -0.20 0.17 -0.00 0.25 -1.07 0.00 0.00 179.97 179.12 1otk n THR 191 N -4.49 0.00 0.69 2.04 -2.24 -0.18 -3.31 114.28 106.79 1otk n THR 191 Ca 0.02 -0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 1otk n THR 191 Cb 0.15 -0.49 0.01 0.00 -2.10 0.00 0.00 70.33 67.91 1otk n THR 191 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1otk n LEU 192 N -1.04 0.65 -0.17 3.22 4.77 -0.68 -4.48 117.00 119.27 1otk n LEU 192 Ca 0.22 -0.12 -0.03 0.00 -0.03 0.00 0.00 56.01 56.05 1otk n LEU 192 Cb 0.14 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1otk n LEU 192 CO 0.19 0.10 0.99 -0.09 -1.33 0.00 0.00 177.39 177.25 1otk h ARG 193 N 0.00 0.40 -0.56 3.23 9.65 -1.67 -1.40 114.38 124.02 1otk h ARG 193 Ca 0.00 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1otk h ARG 193 Cb 0.66 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.12 1otk h ARG 193 CO 0.00 0.27 0.35 0.00 2.80 0.00 0.00 179.97 183.38 1otk h ALA 194 N 1.33 0.72 -0.44 2.80 0.00 -1.84 -0.75 119.26 121.08 1otk h ALA 194 Ca 0.25 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1otk h ALA 194 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1otk h ALA 194 CO -0.23 0.19 -0.13 0.00 0.00 0.00 0.00 179.25 179.08 1otk h ALA 195 N 1.18 0.61 0.01 0.00 0.00 -1.78 -2.04 119.26 117.23 1otk h ALA 195 Ca 0.20 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1otk h ALA 195 Cb -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1otk h ALA 195 CO -0.04 0.52 -0.00 2.35 0.00 0.00 0.00 179.25 182.07 1otk h TRP 196 N 0.69 -0.01 -0.49 0.00 7.01 -1.01 -2.47 115.95 119.67 1otk h TRP 196 Ca 0.11 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1otk h TRP 196 Cb 0.68 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.72 1otk h TRP 196 CO 0.05 -0.00 0.30 0.93 -2.79 0.00 0.00 178.44 176.92 1otk h GLU 197 N -0.01 0.66 -0.95 2.65 5.08 -1.13 0.17 114.58 121.06 1otk h GLU 197 Ca -0.00 -0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.42 1otk h GLU 197 Cb 0.01 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.05 1otk h GLU 197 CO 0.00 0.48 0.60 0.00 -1.00 0.00 0.00 179.01 179.10 1otk h ALA 198 N 1.14 1.63 0.13 3.43 0.00 -1.22 0.31 119.26 124.69 1otk h ALA 198 Ca 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1otk h ALA 198 Cb -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1otk h ALA 198 CO -0.03 0.15 -0.06 1.49 0.00 0.00 0.00 179.25 180.79 1otk h GLU 199 N 0.90 -0.17 -0.48 0.00 4.57 -0.96 -3.27 114.58 115.15 1otk h GLU 199 Ca 0.46 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.66 1otk h GLU 199 Cb 0.52 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1otk h GLU 199 CO -0.23 -0.12 0.31 0.28 -1.18 0.00 0.00 179.01 178.08 1otk h VAL 200 N -0.99 1.11 -0.58 0.32 2.07 -0.56 0.46 116.25 118.07 1otk h VAL 200 Ca -0.02 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1otk h VAL 200 Cb 0.14 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1otk h VAL 200 CO 0.03 0.12 0.18 -0.26 0.02 0.00 0.00 177.57 177.66 1otk h PHE 201 N 0.64 0.89 -0.02 1.57 -1.00 -0.58 -0.37 116.94 118.06 1otk h PHE 201 Ca 0.18 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 1otk h PHE 201 Cb -0.06 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 39.24 1otk h PHE 201 CO -0.05 0.72 -0.01 0.00 -1.61 0.00 0.00 178.31 177.36 1otk h ALA 202 N 1.35 0.03 -0.36 2.45 0.00 -1.53 -1.95 119.26 119.25 1otk h ALA 202 Ca 0.19 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1otk h ALA 202 Cb 0.24 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1otk h ALA 202 CO -0.01 -0.24 0.06 0.78 0.00 0.00 0.00 179.25 179.84 1otk h GLY 203 N -0.39 0.41 1.00 0.00 0.00 -0.66 0.91 103.07 104.34 1otk h GLY 203 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1otk h GLY 203 CO 0.00 -0.04 0.33 -2.22 0.00 0.00 0.00 176.54 174.62 1otk h ILE 204 N 0.18 1.13 -0.40 2.60 2.04 -1.07 -1.83 117.51 120.15 1otk h ILE 204 Ca 0.17 -0.23 -0.14 0.00 1.00 0.00 0.00 64.86 65.66 1otk h ILE 204 Cb 0.21 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1otk h ILE 204 CO -0.24 0.12 -0.32 0.78 0.00 0.00 0.00 178.15 178.50 1otk h ASN 205 N 0.68 0.93 0.41 1.72 2.35 -0.92 -1.24 115.58 119.50 1otk h ASN 205 Ca 0.18 -0.39 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1otk h ASN 205 Cb -0.08 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.03 1otk h ASN 205 CO -0.04 1.16 -0.01 -0.08 -1.65 0.00 0.00 177.43 176.81 1otk h GLU 206 N 0.74 0.00 -0.18 0.81 4.81 -0.58 0.40 114.58 120.59 1otk h GLU 206 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1otk h GLU 206 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1otk h GLU 206 CO 0.08 0.01 0.00 0.00 -0.73 0.00 0.00 179.01 178.37 1otk n ALA 207 N -2.11 2.51 -3.01 2.92 0.00 -0.71 -4.91 120.51 115.20 1otk n ALA 207 Ca -0.02 -0.54 -0.20 0.00 0.00 0.00 0.00 53.44 52.68 1otk n ALA 207 Cb 0.17 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.58 1otk n ALA 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1otk n THR 208 N 0.36 -1.93 -4.32 0.00 -2.24 0.14 -3.60 114.28 102.70 1otk n THR 208 Ca 0.16 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.65 1otk n THR 208 Cb 0.33 -3.31 -0.05 0.00 -2.10 0.00 0.00 70.33 65.20 1otk n THR 208 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1otk s LEU 209 N -6.12 2.63 -0.01 3.22 1.43 -0.51 -5.02 118.68 114.30 1otk s LEU 209 Ca 0.31 -1.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.04 1otk s LEU 209 Cb -0.13 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 1otk s LEU 209 CO 0.38 -0.86 -0.04 0.20 0.23 0.00 0.00 176.35 176.26 1otk s ASN 210 N -4.02 4.86 -0.13 2.29 0.01 -1.26 -4.14 114.94 112.56 1otk s ASN 210 Ca 0.24 -0.06 -0.29 0.00 -0.71 0.00 0.00 52.86 52.03 1otk s ASN 210 Cb 0.01 -1.21 -0.01 0.00 0.41 0.00 0.00 41.25 40.45 1otk s ASN 210 CO 0.14 0.29 1.05 -0.69 -1.51 0.00 0.00 177.10 176.38 1otk s VAL 211 N -1.01 4.68 0.88 1.60 1.01 -1.26 -4.98 120.40 121.32 1otk s VAL 211 Ca 0.17 1.97 -0.12 0.00 0.00 0.00 0.00 61.98 64.00 1otk s VAL 211 Cb -0.11 -4.27 0.09 0.00 0.00 0.00 0.00 36.38 32.09 1otk s VAL 211 CO 0.08 -0.04 0.95 -2.65 0.00 0.00 0.00 175.10 173.44 1otk n PRO 212 N 5.35 -0.16 -2.77 2.72 -0.02 -1.26 -4.97 135.00 133.88 1otk n PRO 212 Ca 0.10 0.02 -0.35 0.00 -2.02 0.00 0.00 63.50 61.25 1otk n PRO 212 Cb 0.48 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 1otk n PRO 212 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1otk s GLN 213 N -4.09 4.38 0.16 -0.52 -1.52 -1.26 -5.01 119.66 111.80 1otk s GLN 213 Ca 0.67 1.25 -0.30 0.00 -1.95 0.00 0.00 55.36 55.03 1otk s GLN 213 Cb -0.26 -2.50 -0.08 0.00 -0.22 0.00 0.00 33.01 29.96 1otk s GLN 213 CO 0.58 0.10 1.22 -1.21 -0.25 0.00 0.00 175.29 175.73 1otk s GLU 214 N -2.60 4.46 0.31 2.91 0.41 -1.26 -5.01 118.70 117.92 1otk s GLU 214 Ca 0.56 1.89 0.02 0.00 -0.41 0.00 0.00 54.97 57.03 1otk s GLU 214 Cb -0.15 -3.26 -0.01 0.00 -1.78 0.00 0.00 34.13 28.94 1otk s GLU 214 CO 0.19 -0.16 0.37 1.04 -0.49 0.00 0.00 175.26 176.21 1otk n GLN 215 N 2.90 0.54 -1.62 1.61 6.02 -1.26 -5.12 117.38 120.44 1otk n GLN 215 Ca 0.06 -2.76 -0.40 0.00 -0.01 0.00 0.00 57.00 53.89 1otk n GLN 215 Cb 0.45 2.48 0.03 0.00 1.02 0.00 0.00 30.24 34.21 1otk n GLN 215 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1otk n ALA 216 N -0.90 0.34 -2.44 -1.58 0.00 -1.26 -4.98 120.51 109.69 1otk n ALA 216 Ca -0.12 0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 1otk n ALA 216 Cb 0.54 -2.12 -0.09 0.00 0.00 0.00 0.00 19.45 17.78 1otk n ALA 216 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1otk s TYR 217 N -1.35 1.79 -0.08 0.00 -0.85 -1.26 -4.93 117.35 110.67 1otk s TYR 217 Ca 0.67 -1.15 -0.05 0.00 -0.52 0.00 0.00 57.07 56.01 1otk s TYR 217 Cb -0.50 -1.13 -0.04 0.00 0.38 0.00 0.00 41.96 40.67 1otk s TYR 217 CO 0.54 -0.21 0.15 1.03 -1.52 0.00 0.00 175.55 175.53 1otk s ARG 218 N -3.84 3.42 0.34 -3.49 0.52 -0.92 -5.08 118.95 109.89 1otk s ARG 218 Ca 0.32 -0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 55.21 1otk s ARG 218 Cb 0.06 -3.14 0.03 0.00 0.52 0.00 0.00 34.95 32.42 1otk s ARG 218 CO 0.15 0.74 0.63 -0.08 0.02 0.00 0.00 175.30 176.76 1otk s THR 219 N -1.12 0.00 0.00 0.02 -1.32 -1.26 -4.59 115.64 107.36 1otk s THR 219 Ca 0.19 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 1otk s THR 219 Cb -0.12 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 1otk s THR 219 CO 0.09 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 1otk n GLY 220 N -0.52 1.58 0.25 6.08 0.00 -1.26 -4.91 105.19 106.42 1otk n GLY 220 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 1otk n GLY 220 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1otk h GLY 221 N 0.00 0.89 2.00 -0.02 0.00 -1.65 -0.02 103.07 104.27 1otk h GLY 221 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1otk h GLY 221 CO 0.00 -0.18 0.00 0.50 0.00 0.00 0.00 176.54 176.86 1otk h LYS 222 N 0.24 0.00 -0.67 4.80 1.57 -1.68 -1.94 116.57 118.90 1otk h LYS 222 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1otk h LYS 222 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1otk h LYS 222 CO -0.48 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.03 1otk n LYS 223 N -2.69 2.95 -1.02 3.15 5.02 -0.33 -4.79 118.16 120.45 1otk n LYS 223 Ca -0.00 -2.64 -0.01 0.00 -2.02 0.00 0.00 58.31 53.64 1otk n LYS 223 Cb 0.19 -1.60 -0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1otk n LYS 223 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1otk n GLY 224 N 1.39 0.48 3.28 0.72 0.00 -0.73 -5.00 105.19 105.32 1otk n GLY 224 Ca 0.23 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1otk n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1otk s LEU 225 N -0.17 5.30 0.48 0.99 1.43 -0.17 -4.25 118.68 122.29 1otk s LEU 225 Ca 0.00 -1.53 0.06 0.00 -1.03 0.00 0.00 54.13 51.63 1otk s LEU 225 Cb 0.00 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 1otk s LEU 225 CO 0.00 -0.58 0.25 -1.00 0.23 0.00 0.00 176.35 175.25 1otk s HIS 226 N 1.46 2.11 0.91 0.29 3.76 -1.26 -2.26 115.29 120.29 1otk s HIS 226 Ca 0.03 -0.74 -0.13 0.00 -0.15 0.00 0.00 55.06 54.07 1otk s HIS 226 Cb -0.24 -1.90 0.17 0.00 1.11 0.00 0.00 32.58 31.73 1otk s HIS 226 CO 0.02 -0.08 1.26 0.95 -0.85 0.00 0.00 174.74 176.04 1otk s THR 227 N -2.70 2.03 -0.91 1.30 -4.23 -1.26 -4.94 115.64 104.92 1otk s THR 227 Ca 0.33 -0.08 0.15 0.00 -1.18 0.00 0.00 61.69 60.91 1otk s THR 227 Cb 0.01 -2.95 0.13 0.00 1.34 0.00 0.00 72.50 71.03 1otk s THR 227 CO 0.19 0.00 1.47 -1.84 -0.54 0.00 0.00 174.62 173.90 1otk n GLU 228 N -3.58 0.03 0.08 3.99 0.00 -1.26 -3.42 120.64 116.48 1otk n GLU 228 Ca 0.14 0.30 -0.06 0.00 0.00 0.00 0.00 57.16 57.54 1otk n GLU 228 Cb 0.60 -1.56 -0.06 0.00 0.00 0.00 0.00 31.44 30.42 1otk n GLU 228 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1otk h HIS 229 N 0.00 0.00 -0.27 -1.84 3.86 -1.92 -3.37 115.15 111.61 1otk h HIS 229 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1otk h HIS 229 Cb 0.25 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1otk h HIS 229 CO 0.00 0.92 0.07 1.25 0.86 0.00 0.00 177.93 181.03 1otk h LEU 230 N 0.00 0.40 -0.19 2.43 5.85 -1.80 -3.09 115.31 118.90 1otk h LEU 230 Ca -0.01 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.52 1otk h LEU 230 Cb 1.63 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.50 1otk h LEU 230 CO 0.12 0.51 -0.45 1.23 -0.34 0.00 0.00 178.44 179.51 1otk h GLY 231 N 0.26 -1.18 0.47 3.75 0.00 -1.80 -0.50 103.07 104.07 1otk h GLY 231 Ca 0.08 0.70 0.12 0.00 0.00 0.00 0.00 47.33 48.24 1otk h GLY 231 CO -0.00 -0.25 0.63 -2.55 0.00 0.00 0.00 176.54 174.37 1otk h PRO 232 N -0.43 0.95 -0.61 4.80 0.11 -1.78 -1.90 132.00 133.15 1otk h PRO 232 Ca 0.04 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1otk h PRO 232 Cb 0.54 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 1otk h PRO 232 CO -0.41 0.63 0.30 1.98 -0.21 0.00 0.00 178.00 180.29 1otk h MET 233 N 0.98 0.87 -0.37 1.05 4.05 -1.30 -1.84 114.93 118.37 1otk h MET 233 Ca 0.50 -0.12 -0.09 0.00 -0.28 0.00 0.00 59.70 59.70 1otk h MET 233 Cb 0.51 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 1otk h MET 233 CO -0.26 0.70 -0.15 -0.07 0.23 0.00 0.00 176.91 177.35 1otk h LEU 234 N 0.83 0.66 -0.76 3.39 3.38 -0.35 -0.42 115.31 122.03 1otk h LEU 234 Ca 0.21 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1otk h LEU 234 Cb 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1otk h LEU 234 CO -0.03 0.82 0.29 0.00 0.09 0.00 0.00 178.44 179.62 1otk h ALA 235 N 1.24 0.99 -0.30 1.53 0.00 -1.06 -0.58 119.26 121.08 1otk h ALA 235 Ca 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1otk h ALA 235 Cb 0.60 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1otk h ALA 235 CO 0.04 0.62 0.03 1.49 0.00 0.00 0.00 179.25 181.43 1otk h GLU 236 N 1.10 0.51 -0.68 0.00 4.57 -0.94 -1.16 114.58 117.98 1otk h GLU 236 Ca 0.25 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1otk h GLU 236 Cb 0.23 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 1otk h GLU 236 CO -0.02 0.63 0.45 1.98 -1.18 0.00 0.00 179.01 180.87 1otk h MET 237 N 0.32 0.90 -0.31 1.92 4.05 -0.77 -0.31 114.93 120.73 1otk h MET 237 Ca 0.09 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.34 1otk h MET 237 Cb 0.38 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1otk h MET 237 CO 0.01 0.60 -0.26 1.96 0.23 0.00 0.00 176.91 179.45 1otk h GLN 238 N 0.92 0.62 -0.31 0.39 4.20 -1.02 -2.54 115.11 117.38 1otk h GLN 238 Ca 0.25 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1otk h GLN 238 Cb -0.10 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1otk h GLN 238 CO -0.05 0.82 0.03 -0.92 -0.67 0.00 0.00 178.83 178.04 1otk h TYR 239 N 0.54 0.56 0.00 2.96 3.20 -0.67 -2.64 116.97 120.93 1otk h TYR 239 Ca 0.07 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1otk h TYR 239 Cb 0.73 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 1otk h TYR 239 CO 0.03 0.62 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.05 1otk h LEU 240 N 0.33 0.00 -0.39 2.82 3.38 -0.93 -0.76 115.31 119.77 1otk h LEU 240 Ca 0.09 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 1otk h LEU 240 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1otk h LEU 240 CO 0.01 0.06 -0.67 -0.61 0.09 0.00 0.00 178.44 177.31 1otk h GLN 241 N 0.00 0.55 -0.13 1.13 5.75 -1.11 -1.62 115.11 119.68 1otk h GLN 241 Ca -0.00 -0.41 -0.19 0.00 -0.15 0.00 0.00 58.65 57.89 1otk h GLN 241 Cb 0.14 0.07 0.01 0.00 1.07 0.00 0.00 27.48 28.78 1otk h GLN 241 CO 0.01 1.03 -0.68 0.00 -2.65 0.00 0.00 178.83 176.54 1otk h ARG 242 N 0.40 0.69 0.00 1.69 3.08 -0.90 -3.35 114.38 115.98 1otk h ARG 242 Ca -0.02 -0.57 -0.12 0.00 0.07 0.00 0.00 59.98 59.34 1otk h ARG 242 Cb 1.25 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.40 1otk h ARG 242 CO 0.13 1.18 -1.37 1.33 -1.07 0.00 0.00 179.97 180.17 1otk n VAL 243 N -4.05 0.99 0.15 2.04 0.24 -0.66 -5.13 118.33 111.91 1otk n VAL 243 Ca -0.08 -0.65 0.02 0.00 -2.04 0.00 0.00 64.34 61.59 1otk n VAL 243 Cb 0.70 -0.59 0.02 0.00 -1.47 0.00 0.00 33.84 32.49 1otk n VAL 243 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58