#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6i s ARG 3 N 0.00 4.49 -0.77 1.43 3.52 -1.26 -5.00 118.95 121.37 1a6i s ARG 3 Ca 0.00 1.10 0.01 0.00 -0.13 0.00 0.00 55.73 56.71 1a6i s ARG 3 Cb 0.00 -3.43 0.35 0.00 -1.56 0.00 0.00 34.95 30.31 1a6i s ARG 3 CO 0.00 0.08 1.54 1.28 -0.81 0.00 0.00 175.30 177.39 1a6i n LEU 4 N 3.59 6.26 -4.86 -0.88 4.77 -1.26 -4.61 117.00 120.01 1a6i n LEU 4 Ca 0.01 -5.29 -0.36 0.00 -0.03 0.00 0.00 56.01 50.34 1a6i n LEU 4 Cb 0.51 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 1a6i n LEU 4 CO 0.49 2.08 0.04 -1.81 -1.33 0.00 0.00 177.39 176.86 1a6i s ASP 5 N -2.17 6.64 0.24 -1.43 1.01 -1.26 -4.90 116.67 114.80 1a6i s ASP 5 Ca 0.46 0.78 -0.09 0.00 0.71 0.00 0.00 52.55 54.41 1a6i s ASP 5 Cb 0.31 -2.17 0.37 0.00 1.01 0.00 0.00 42.92 42.44 1a6i s ASP 5 CO -0.22 0.25 1.39 1.17 0.21 0.00 0.00 175.17 177.97 1a6i n LYS 6 N 1.27 -0.11 0.14 8.23 4.81 -1.26 -0.07 118.16 131.17 1a6i n LYS 6 Ca -0.11 1.38 -0.13 0.00 -0.87 0.00 0.00 58.31 58.58 1a6i n LYS 6 Cb 0.53 -2.06 -0.07 0.00 0.02 0.00 0.00 35.03 33.44 1a6i n LYS 6 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1a6i h SER 7 N 0.00 -0.38 -0.91 3.14 4.64 -1.99 -1.21 113.55 116.84 1a6i h SER 7 Ca 0.40 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.76 1a6i h SER 7 Cb 0.62 0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.80 1a6i h SER 7 CO -0.91 -0.23 0.59 0.11 -0.87 0.00 0.00 176.83 175.52 1a6i h LYS 8 N -0.35 1.20 0.16 4.77 1.79 -0.80 -1.00 116.57 122.35 1a6i h LYS 8 Ca -0.01 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1a6i h LYS 8 Cb 0.31 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1a6i h LYS 8 CO -0.01 0.80 -0.08 0.28 -1.08 0.00 0.00 179.45 179.36 1a6i h VAL 9 N 1.24 0.87 -0.52 0.50 2.07 -0.50 -1.43 116.25 118.48 1a6i h VAL 9 Ca 0.33 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.79 1a6i h VAL 9 Cb -0.13 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1a6i h VAL 9 CO -0.07 0.03 0.24 0.40 0.02 0.00 0.00 177.57 178.19 1a6i h ILE 10 N -0.28 0.90 -0.69 4.57 2.04 -0.91 -0.41 117.51 122.73 1a6i h ILE 10 Ca -0.02 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 1a6i h ILE 10 Cb 0.22 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1a6i h ILE 10 CO 0.04 0.08 0.17 -1.13 0.00 0.00 0.00 178.15 177.31 1a6i h ASN 11 N 0.45 1.04 -0.54 1.72 -1.24 -1.03 -0.17 115.58 115.81 1a6i h ASN 11 Ca 0.24 -0.21 -0.06 0.00 0.71 0.00 0.00 56.30 56.98 1a6i h ASN 11 Cb 0.20 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1a6i h ASN 11 CO -0.20 0.99 0.09 0.28 -1.29 0.00 0.00 177.43 177.30 1a6i h SER 12 N 1.05 0.85 -0.88 1.15 0.02 -0.69 -1.18 113.55 113.87 1a6i h SER 12 Ca 0.22 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1a6i h SER 12 Cb 0.36 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1a6i h SER 12 CO 0.00 0.89 0.47 0.00 -1.14 0.00 0.00 176.83 177.05 1a6i h ALA 13 N 0.99 1.12 -0.46 3.77 0.00 -0.60 0.14 119.26 124.22 1a6i h ALA 13 Ca 0.16 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1a6i h ALA 13 Cb 0.40 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1a6i h ALA 13 CO 0.01 0.64 -0.13 -0.07 0.00 0.00 0.00 179.25 179.70 1a6i h LEU 14 N 1.23 0.86 -0.24 0.00 4.07 -0.78 0.40 115.31 120.85 1a6i h LEU 14 Ca 0.31 -0.28 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 1a6i h LEU 14 Cb 0.05 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 1a6i h LEU 14 CO -0.05 1.00 -0.03 -0.08 -1.08 0.00 0.00 178.44 178.20 1a6i h GLU 15 N 0.77 0.45 -0.49 1.13 4.81 -0.85 -2.07 114.58 118.34 1a6i h GLU 15 Ca 0.12 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1a6i h GLU 15 Cb 0.65 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1a6i h GLU 15 CO 0.05 0.65 -0.03 1.25 -0.73 0.00 0.00 179.01 180.20 1a6i h LEU 16 N 0.21 0.80 -0.48 1.64 5.85 -0.54 -2.63 115.31 120.17 1a6i h LEU 16 Ca 0.07 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1a6i h LEU 16 Cb 0.47 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1a6i h LEU 16 CO 0.02 0.88 0.26 0.25 -0.34 0.00 0.00 178.44 179.51 1a6i h LEU 17 N 0.77 0.39 -1.95 2.25 5.85 0.02 -0.11 115.31 122.52 1a6i h LEU 17 Ca 0.14 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1a6i h LEU 17 Cb 0.50 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1a6i h LEU 17 CO 0.03 0.28 -0.11 0.78 -0.34 0.00 0.00 178.44 179.07 1a6i h ASN 18 N 0.51 0.00 0.01 1.25 2.35 -1.03 0.12 115.58 118.79 1a6i h ASN 18 Ca 0.20 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.80 1a6i h ASN 18 Cb 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1a6i h ASN 18 CO -0.12 0.11 -0.83 -0.33 -1.65 0.00 0.00 177.43 174.61 1a6i h GLU 19 N 0.00 0.03 0.00 0.81 5.08 -0.96 -3.44 114.58 116.10 1a6i h GLU 19 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1a6i h GLU 19 Cb 0.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1a6i h GLU 19 CO 0.01 1.02 -0.76 1.33 -1.00 0.00 0.00 179.01 179.61 1a6i n VAL 20 N -4.44 0.00 0.00 3.13 0.24 -0.16 -5.12 118.33 111.98 1a6i n VAL 20 Ca -0.23 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1a6i n VAL 20 Cb 0.63 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 1a6i n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a6i n GLY 21 N 1.40 -0.74 0.17 7.63 0.00 0.02 -3.70 105.19 109.97 1a6i n GLY 21 Ca 0.01 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.28 1a6i n GLY 21 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a6i h ILE 22 N 0.00 1.38 0.07 -0.61 2.10 -1.85 -2.64 117.51 115.96 1a6i h ILE 22 Ca 0.00 -1.92 -0.28 0.00 1.08 0.00 0.00 64.86 63.74 1a6i h ILE 22 Cb 0.00 1.97 0.02 0.00 -1.09 0.00 0.00 36.82 37.72 1a6i h ILE 22 CO 0.00 0.56 -1.15 -0.33 -1.08 0.00 0.00 178.15 176.16 1a6i h GLU 23 N 0.15 0.61 0.00 2.19 3.07 -1.99 -3.21 114.58 115.41 1a6i h GLU 23 Ca -0.00 -0.75 0.00 0.00 -0.50 0.00 0.00 59.36 58.11 1a6i h GLU 23 Cb 1.05 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1a6i h GLU 23 CO 0.09 1.33 0.00 0.41 -1.40 0.00 0.00 179.01 179.43 1a6i n GLY 24 N 1.24 -0.98 3.56 -3.84 0.00 -1.21 -4.75 105.19 99.20 1a6i n GLY 24 Ca -0.12 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1a6i n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a6i s LEU 25 N -1.65 4.36 0.16 0.99 2.96 -1.00 -4.86 118.68 119.65 1a6i s LEU 25 Ca 0.31 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.18 1a6i s LEU 25 Cb 0.14 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 1a6i s LEU 25 CO 0.24 -0.42 -0.06 0.42 -1.32 0.00 0.00 176.35 175.20 1a6i s THR 26 N 2.25 1.02 0.38 3.68 -4.23 -1.26 -5.00 115.64 112.47 1a6i s THR 26 Ca 0.16 -2.03 0.09 0.00 -1.18 0.00 0.00 61.69 58.74 1a6i s THR 26 Cb -0.16 -1.97 0.14 0.00 1.34 0.00 0.00 72.50 71.86 1a6i s THR 26 CO 0.12 -0.64 1.88 0.71 -0.54 0.00 0.00 174.62 176.16 1a6i h THR 27 N 2.73 1.20 -0.11 3.99 1.35 -1.97 -2.41 112.91 117.68 1a6i h THR 27 Ca -0.37 -0.90 0.03 0.00 -0.55 0.00 0.00 66.41 64.63 1a6i h THR 27 Cb 1.20 1.30 -0.04 0.00 -1.73 0.00 0.00 68.15 68.88 1a6i h THR 27 CO 0.64 0.28 -0.10 0.03 -0.25 0.00 0.00 175.52 176.11 1a6i h ARG 28 N 0.20 -0.12 -0.06 4.72 3.08 -1.99 0.14 114.38 120.36 1a6i h ARG 28 Ca 0.04 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 1a6i h ARG 28 Cb 0.44 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1a6i h ARG 28 CO 0.03 -0.08 -0.42 0.87 -1.07 0.00 0.00 179.97 179.30 1a6i h LYS 29 N -0.12 0.12 -0.16 0.04 1.57 -1.91 -1.61 116.57 114.50 1a6i h LYS 29 Ca 0.08 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1a6i h LYS 29 Cb 0.24 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1a6i h LYS 29 CO -0.19 0.53 -0.01 1.25 -0.57 0.00 0.00 179.45 180.45 1a6i h LEU 30 N 0.10 0.29 -0.86 2.94 6.46 -0.89 0.00 115.31 123.35 1a6i h LEU 30 Ca 0.01 -0.33 0.05 0.00 -0.12 0.00 0.00 57.88 57.49 1a6i h LEU 30 Cb 0.79 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.59 1a6i h LEU 30 CO 0.06 0.55 0.54 0.00 -0.62 0.00 0.00 178.44 178.98 1a6i h ALA 31 N 0.74 1.17 0.00 1.25 0.00 -0.52 0.18 119.26 122.09 1a6i h ALA 31 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1a6i h ALA 31 Cb 0.41 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1a6i h ALA 31 CO 0.01 0.32 -0.52 0.37 0.00 0.00 0.00 179.25 179.44 1a6i h GLN 32 N 1.01 0.00 -0.13 0.00 4.15 -1.18 0.16 115.11 119.13 1a6i h GLN 32 Ca 0.37 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.72 1a6i h GLN 32 Cb 0.12 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1a6i h GLN 32 CO -0.15 0.52 -0.18 -0.22 -1.93 0.00 0.00 178.83 176.86 1a6i h LYS 33 N 0.00 0.35 0.00 1.69 1.63 0.09 -3.11 116.57 117.23 1a6i h LYS 33 Ca -0.01 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.57 1a6i h LYS 33 Cb 0.95 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1a6i h LYS 33 CO 0.07 0.78 -0.09 -0.07 -3.45 0.00 0.00 179.45 176.68 1a6i h LEU 34 N -0.05 0.00 -2.62 5.20 3.38 -0.90 -3.48 115.31 116.85 1a6i h LEU 34 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1a6i h LEU 34 Cb 0.74 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.55 1a6i h LEU 34 CO 0.04 0.09 -0.26 0.61 0.09 0.00 0.00 178.44 179.02 1a6i n GLY 35 N 0.32 0.25 3.30 0.83 0.00 -0.03 -4.41 105.19 105.45 1a6i n GLY 35 Ca 0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1a6i n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a6i s VAL 36 N -3.12 0.04 0.39 1.61 0.11 -0.73 -4.51 120.40 114.19 1a6i s VAL 36 Ca 0.11 -0.34 -0.27 0.00 -2.93 0.00 0.00 61.98 58.55 1a6i s VAL 36 Cb -0.01 -0.68 -0.09 0.00 -1.53 0.00 0.00 36.38 34.06 1a6i s VAL 36 CO 0.23 -0.19 1.33 -1.61 -3.33 0.00 0.00 175.10 171.53 1a6i s GLU 37 N -1.16 4.02 0.30 1.54 0.41 -1.26 -4.40 118.70 118.15 1a6i s GLU 37 Ca -0.12 2.23 0.05 0.00 -0.41 0.00 0.00 54.97 56.72 1a6i s GLU 37 Cb -0.04 -2.82 0.77 0.00 -1.78 0.00 0.00 34.13 30.26 1a6i s GLU 37 CO 0.05 -0.47 1.69 1.96 -0.49 0.00 0.00 175.26 178.00 1a6i h GLN 38 N 2.80 0.38 0.00 1.61 4.20 -1.95 0.26 115.11 122.41 1a6i h GLN 38 Ca -0.50 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 1a6i h GLN 38 Cb 1.24 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 1a6i h GLN 38 CO 0.63 0.25 -0.15 -1.35 -0.67 0.00 0.00 178.83 177.55 1a6i h PRO 39 N 0.39 0.00 -0.18 1.46 0.11 -1.99 -0.33 132.00 131.46 1a6i h PRO 39 Ca 0.58 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.63 1a6i h PRO 39 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1a6i h PRO 39 CO -0.54 0.15 -0.13 1.15 -0.21 0.00 0.00 178.00 178.42 1a6i h THR 40 N 0.00 1.33 -0.53 -1.15 2.02 -0.86 -3.15 112.91 110.57 1a6i h THR 40 Ca -0.00 -1.24 -0.05 0.00 0.77 0.00 0.00 66.41 65.89 1a6i h THR 40 Cb 0.49 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1a6i h THR 40 CO 0.02 0.37 0.15 0.25 0.37 0.00 0.00 175.52 176.68 1a6i h LEU 41 N 0.06 0.78 -1.33 2.58 5.85 -1.12 -3.01 115.31 119.12 1a6i h LEU 41 Ca 0.03 -0.22 0.24 0.00 0.84 0.00 0.00 57.88 58.78 1a6i h LEU 41 Cb 0.64 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 1a6i h LEU 41 CO 0.03 0.80 0.64 0.22 -0.34 0.00 0.00 178.44 179.79 1a6i h TYR 42 N 0.73 0.70 -0.55 1.25 5.03 -1.03 0.33 116.97 123.44 1a6i h TYR 42 Ca 0.17 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.53 1a6i h TYR 42 Cb 0.30 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.35 1a6i h TYR 42 CO 0.02 0.10 0.36 2.35 -1.32 0.00 0.00 178.16 179.67 1a6i h TRP 43 N 0.45 0.63 0.01 -3.82 7.01 -1.49 -3.26 115.95 115.48 1a6i h TRP 43 Ca 0.57 0.02 -0.27 0.00 2.11 0.00 0.00 58.89 61.31 1a6i h TRP 43 Cb 1.35 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 28.16 1a6i h TRP 43 CO -0.00 0.37 -1.47 0.72 -2.79 0.00 0.00 178.44 175.27 1a6i n HIS 44 N -4.47 0.91 -4.06 2.65 8.25 0.90 -4.86 115.22 114.55 1a6i n HIS 44 Ca 0.06 0.37 -0.32 0.00 -0.26 0.00 0.00 57.72 57.58 1a6i n HIS 44 Cb 0.12 -1.09 -0.15 0.00 1.12 0.00 0.00 29.99 29.98 1a6i n HIS 44 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1a6i s VAL 45 N -2.39 1.99 0.30 1.59 1.01 0.27 -5.02 120.40 118.16 1a6i s VAL 45 Ca -0.30 -1.34 0.13 0.00 0.00 0.00 0.00 61.98 60.47 1a6i s VAL 45 Cb 0.07 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.45 1a6i s VAL 45 CO 0.59 0.12 1.72 0.11 0.00 0.00 0.00 175.10 177.64 1a6i h LYS 46 N 7.86 0.00 -2.20 2.72 1.79 -1.83 -3.33 116.57 121.57 1a6i h LYS 46 Ca -0.26 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 58.43 1a6i h LYS 46 Cb 1.07 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.66 1a6i h LYS 46 CO 0.50 0.48 0.65 0.54 -1.08 0.00 0.00 179.45 180.54 1a6i s ASN 47 N -6.80 -0.06 0.29 0.86 2.20 -1.26 -5.01 114.94 105.15 1a6i s ASN 47 Ca -0.02 -0.43 -0.03 0.00 -0.94 0.00 0.00 52.86 51.45 1a6i s ASN 47 Cb 0.13 0.38 0.41 0.00 -2.00 0.00 0.00 41.25 40.17 1a6i s ASN 47 CO 0.73 -0.73 1.94 0.50 -2.94 0.00 0.00 177.10 176.61 1a6i h LYS 48 N 2.00 1.09 -0.41 3.55 3.64 -1.96 -2.35 116.57 122.13 1a6i h LYS 48 Ca -0.27 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1a6i h LYS 48 Cb 1.21 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1a6i h LYS 48 CO 0.31 0.75 0.27 -0.09 -2.27 0.00 0.00 179.45 178.42 1a6i h ARG 49 N 1.11 0.53 -0.36 1.90 9.65 -1.99 0.99 114.38 126.22 1a6i h ARG 49 Ca 0.29 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 59.09 1a6i h ARG 49 Cb -0.07 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.38 1a6i h ARG 49 CO -0.06 0.35 0.01 0.00 2.80 0.00 0.00 179.97 183.08 1a6i h ALA 50 N 1.15 1.36 -0.21 2.80 0.00 -1.88 -1.74 119.26 120.73 1a6i h ALA 50 Ca 0.15 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1a6i h ALA 50 Cb -0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1a6i h ALA 50 CO -0.03 0.45 -0.35 1.25 0.00 0.00 0.00 179.25 180.57 1a6i h LEU 51 N 0.53 0.68 0.18 0.00 5.85 -0.86 -3.01 115.31 118.67 1a6i h LEU 51 Ca 0.11 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1a6i h LEU 51 Cb 0.32 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1a6i h LEU 51 CO 0.01 1.07 -0.11 -0.07 -0.34 0.00 0.00 178.44 179.00 1a6i h LEU 52 N 0.30 -0.27 -0.87 2.25 4.07 -0.52 -1.27 115.31 119.01 1a6i h LEU 52 Ca 0.02 0.02 0.14 0.00 0.08 0.00 0.00 57.88 58.14 1a6i h LEU 52 Cb 0.93 0.08 -0.09 0.00 1.08 0.00 0.00 40.66 42.66 1a6i h LEU 52 CO 0.08 -0.18 0.47 0.44 -1.08 0.00 0.00 178.44 178.17 1a6i h ASP 53 N -0.28 0.59 -0.26 -0.43 3.32 -1.38 0.54 116.42 118.52 1a6i h ASP 53 Ca -0.02 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1a6i h ASP 53 Cb 0.23 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1a6i h ASP 53 CO 0.02 0.26 -0.31 0.00 -1.72 0.00 0.00 179.24 177.50 1a6i h ALA 54 N 1.55 0.79 -0.40 3.45 0.00 -1.37 -2.71 119.26 120.58 1a6i h ALA 54 Ca 0.47 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1a6i h ALA 54 Cb 0.63 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1a6i h ALA 54 CO -0.34 0.65 0.21 -0.07 0.00 0.00 0.00 179.25 179.69 1a6i h LEU 55 N 0.65 0.51 -0.51 0.00 4.07 0.25 -1.00 115.31 119.28 1a6i h LEU 55 Ca 0.07 -0.10 0.02 0.00 0.08 0.00 0.00 57.88 57.95 1a6i h LEU 55 Cb 0.84 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.42 1a6i h LEU 55 CO 0.07 0.47 0.32 0.00 -1.08 0.00 0.00 178.44 178.22 1a6i h ALA 56 N 1.06 0.66 -0.01 1.53 0.00 -1.04 0.16 119.26 121.62 1a6i h ALA 56 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a6i h ALA 56 Cb 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1a6i h ALA 56 CO -0.02 0.04 0.01 0.28 0.00 0.00 0.00 179.25 179.55 1a6i h VAL 57 N 0.64 1.07 -0.68 0.00 2.07 -1.33 -2.81 116.25 115.20 1a6i h VAL 57 Ca 0.20 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1a6i h VAL 57 Cb -0.01 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1a6i h VAL 57 CO -0.08 0.05 0.39 -0.08 0.02 0.00 0.00 177.57 177.88 1a6i h GLU 58 N -0.06 0.94 -0.24 1.57 4.57 -0.80 0.10 114.58 120.66 1a6i h GLU 58 Ca 0.00 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1a6i h GLU 58 Cb 0.08 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 1a6i h GLU 58 CO -0.00 0.69 0.04 0.82 -1.18 0.00 0.00 179.01 179.38 1a6i h ILE 59 N 0.93 0.88 0.18 2.32 2.04 -0.62 -0.42 117.51 122.83 1a6i h ILE 59 Ca 0.24 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 1a6i h ILE 59 Cb 0.01 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1a6i h ILE 59 CO -0.04 0.02 -0.09 -0.07 0.00 0.00 0.00 178.15 177.97 1a6i h LEU 60 N 0.13 -0.21 -2.16 1.44 3.38 -1.27 -2.72 115.31 113.90 1a6i h LEU 60 Ca 0.11 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1a6i h LEU 60 Cb 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1a6i h LEU 60 CO -0.15 0.19 0.15 0.00 0.09 0.00 0.00 178.44 178.72 1a6i h ALA 61 N 0.05 1.95 0.00 1.53 0.00 -0.73 0.45 119.26 122.51 1a6i h ALA 61 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a6i h ALA 61 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1a6i h ALA 61 CO 0.04 -0.24 -0.76 -2.13 0.00 0.00 0.00 179.25 176.17 1a6i n ARG 62 N -4.11 0.16 0.00 0.00 0.63 -0.17 -4.68 116.66 108.49 1a6i n ARG 62 Ca 0.01 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1a6i n ARG 62 Cb 0.28 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.62 1a6i n ARG 62 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1a6i n HIS 63 N -1.79 0.00 -1.79 -0.14 8.25 -0.80 -4.92 115.22 114.03 1a6i n HIS 63 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 1a6i n HIS 63 Cb 0.39 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.50 1a6i n HIS 63 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1a6i n HIS 64 N -0.23 3.48 0.16 4.41 -0.00 0.15 -4.65 115.22 118.53 1a6i n HIS 64 Ca 0.00 -2.96 0.03 0.00 -0.00 0.00 0.00 57.72 54.78 1a6i n HIS 64 Cb 0.00 -2.50 0.22 0.00 -0.00 0.00 0.00 29.99 27.72 1a6i n HIS 64 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1a6i h ASP 65 N 5.97 0.00 -1.89 0.26 3.04 -1.87 -3.32 116.42 118.60 1a6i h ASP 65 Ca 0.55 0.00 -0.76 0.00 -3.24 0.00 0.00 57.03 53.58 1a6i h ASP 65 Cb 0.64 0.00 -0.23 0.00 -1.04 0.00 0.00 39.33 38.69 1a6i h ASP 65 CO 1.86 0.50 1.26 0.00 -2.04 0.00 0.00 179.24 180.83 1a6i n TYR 66 N -3.56 2.69 0.08 4.15 4.19 -1.26 -4.62 117.16 118.83 1a6i n TYR 66 Ca -0.00 -2.51 0.06 0.00 3.31 0.00 0.00 57.90 58.75 1a6i n TYR 66 Cb 0.59 -1.34 -0.03 0.00 0.49 0.00 0.00 39.34 39.06 1a6i n TYR 66 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1a6i h SER 67 N 3.94 0.00 -4.53 2.98 4.64 -1.92 -3.37 113.55 115.29 1a6i h SER 67 Ca 0.57 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 61.21 1a6i h SER 67 Cb 0.29 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.08 1a6i h SER 67 CO 1.27 0.28 -0.88 -0.76 -0.87 0.00 0.00 176.83 175.87 1a6i s LEU 68 N -5.66 2.06 0.19 5.97 1.43 -1.26 -4.91 118.68 116.51 1a6i s LEU 68 Ca -0.01 -0.47 -0.31 0.00 -1.03 0.00 0.00 54.13 52.31 1a6i s LEU 68 Cb 0.09 -1.27 -0.10 0.00 0.03 0.00 0.00 46.19 44.93 1a6i s LEU 68 CO 0.79 0.30 1.59 -2.16 0.23 0.00 0.00 176.35 177.09 1a6i s PRO 69 N -0.67 4.20 0.08 1.29 0.04 -1.26 -4.96 135.00 133.72 1a6i s PRO 69 Ca 0.10 2.41 -0.31 0.00 0.04 0.00 0.00 61.00 63.24 1a6i s PRO 69 Cb -0.10 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.24 1a6i s PRO 69 CO -0.01 -0.62 1.40 0.00 0.04 0.00 0.00 177.00 177.81 1a6i s ALA 70 N 1.00 3.58 -0.01 8.56 0.00 -1.26 -4.90 121.76 128.74 1a6i s ALA 70 Ca 0.70 1.05 -0.38 0.00 0.00 0.00 0.00 51.96 53.33 1a6i s ALA 70 Cb -0.45 -3.55 -0.17 0.00 0.00 0.00 0.00 23.12 18.95 1a6i s ALA 70 CO 0.33 -0.70 1.39 0.00 0.00 0.00 0.00 175.76 176.78 1a6i n ALA 71 N 4.38 -1.16 -2.32 0.00 0.00 -1.26 -2.57 120.51 117.57 1a6i n ALA 71 Ca 0.12 0.50 -0.03 0.00 0.00 0.00 0.00 53.44 54.03 1a6i n ALA 71 Cb 0.43 -2.06 0.02 0.00 0.00 0.00 0.00 19.45 17.83 1a6i n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a6i n GLY 72 N 2.75 0.36 3.22 0.00 0.00 -1.26 -5.07 105.19 105.19 1a6i n GLY 72 Ca 0.20 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 1a6i n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a6i s GLU 73 N -4.39 0.98 0.39 1.61 2.12 -1.06 -5.14 118.70 113.21 1a6i s GLU 73 Ca 0.02 -1.20 -0.23 0.00 0.36 0.00 0.00 54.97 53.91 1a6i s GLU 73 Cb -0.01 -0.83 -0.10 0.00 0.26 0.00 0.00 34.13 33.45 1a6i s GLU 73 CO 0.13 0.16 0.98 -1.54 -0.54 0.00 0.00 175.26 174.44 1a6i s SER 74 N -2.40 6.98 0.39 -1.70 1.04 -1.26 -4.92 113.70 111.84 1a6i s SER 74 Ca 0.07 1.84 0.09 0.00 0.48 0.00 0.00 55.95 58.43 1a6i s SER 74 Cb -0.05 -2.57 0.85 0.00 0.10 0.00 0.00 66.02 64.36 1a6i s SER 74 CO 0.02 -0.33 1.98 4.11 0.98 0.00 0.00 173.24 180.01 1a6i h TRP 75 N 2.45 0.62 0.04 5.02 5.08 -1.98 1.00 115.95 128.18 1a6i h TRP 75 Ca -0.48 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 59.50 1a6i h TRP 75 Cb 1.20 -0.20 0.00 0.00 -3.00 0.00 0.00 29.16 27.15 1a6i h TRP 75 CO 0.60 0.33 -0.02 1.96 -1.28 0.00 0.00 178.44 180.03 1a6i h GLN 76 N 0.61 -0.06 -0.77 0.12 7.50 -1.98 -0.35 115.11 120.19 1a6i h GLN 76 Ca 0.28 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.44 1a6i h GLN 76 Cb 0.30 0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.81 1a6i h GLN 76 CO -0.08 -0.02 0.50 1.03 -1.50 0.00 0.00 178.83 178.76 1a6i h SER 77 N -0.08 0.89 0.85 1.46 0.87 -1.55 -1.82 113.55 114.17 1a6i h SER 77 Ca -0.01 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 1a6i h SER 77 Cb 0.07 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1a6i h SER 77 CO 0.01 0.65 -0.46 0.15 -0.53 0.00 0.00 176.83 176.66 1a6i h PHE 78 N 1.04 -1.20 -0.78 2.24 3.57 -0.32 -0.69 116.94 120.81 1a6i h PHE 78 Ca 0.28 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.91 1a6i h PHE 78 Cb -0.11 0.41 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1a6i h PHE 78 CO -0.02 -0.71 0.52 -0.07 -2.23 0.00 0.00 178.31 175.80 1a6i h LEU 79 N -1.21 0.42 0.39 0.59 3.38 -0.96 0.18 115.31 118.10 1a6i h LEU 79 Ca -0.11 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1a6i h LEU 79 Cb 0.95 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1a6i h LEU 79 CO 0.16 0.21 -0.19 -0.09 0.09 0.00 0.00 178.44 178.62 1a6i h ARG 80 N 0.45 -0.51 -0.92 1.13 2.43 -1.06 -2.13 114.38 113.77 1a6i h ARG 80 Ca 0.38 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.62 1a6i h ARG 80 Cb 0.85 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.46 1a6i h ARG 80 CO -0.13 -0.23 0.60 -0.91 -1.51 0.00 0.00 179.97 177.79 1a6i h ASN 81 N -1.04 0.99 -0.33 -3.80 2.35 -0.86 -1.79 115.58 111.10 1a6i h ASN 81 Ca -0.05 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1a6i h ASN 81 Cb 0.51 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1a6i h ASN 81 CO 0.09 0.68 0.19 -1.13 -1.65 0.00 0.00 177.43 175.60 1a6i h ASN 82 N 1.15 0.41 -0.35 5.81 -0.73 -0.73 -0.98 115.58 120.17 1a6i h ASN 82 Ca 0.37 -0.08 -0.09 0.00 1.87 0.00 0.00 56.30 58.37 1a6i h ASN 82 Cb 0.02 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.48 1a6i h ASN 82 CO -0.12 0.37 -0.08 0.00 -0.37 0.00 0.00 177.43 177.23 1a6i h ALA 83 N 1.06 1.04 -0.56 1.57 0.00 -1.14 -0.65 119.26 120.58 1a6i h ALA 83 Ca 0.12 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1a6i h ALA 83 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1a6i h ALA 83 CO -0.02 0.59 0.03 0.52 0.00 0.00 0.00 179.25 180.37 1a6i h MET 84 N 0.70 0.97 -0.35 0.00 2.86 -1.01 -0.87 114.93 117.23 1a6i h MET 84 Ca 0.13 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1a6i h MET 84 Cb 0.54 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1a6i h MET 84 CO 0.03 0.96 0.10 1.03 1.06 0.00 0.00 176.91 180.09 1a6i h SER 85 N 0.86 0.53 -0.42 1.22 0.87 -0.91 -1.19 113.55 114.50 1a6i h SER 85 Ca 0.16 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1a6i h SER 85 Cb 0.50 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1a6i h SER 85 CO 0.02 0.61 0.26 0.15 -0.53 0.00 0.00 176.83 177.33 1a6i h PHE 86 N 0.42 0.48 0.27 2.24 3.57 -0.98 -1.01 116.94 121.94 1a6i h PHE 86 Ca 0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1a6i h PHE 86 Cb 0.28 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1a6i h PHE 86 CO 0.01 0.28 -0.13 -0.09 -2.23 0.00 0.00 178.31 176.15 1a6i h ARG 87 N 0.52 -0.35 -0.38 1.11 2.43 -0.97 -1.14 114.38 115.59 1a6i h ARG 87 Ca 0.17 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.42 1a6i h ARG 87 Cb -0.00 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1a6i h ARG 87 CO -0.07 -0.17 0.09 0.07 -1.51 0.00 0.00 179.97 178.38 1a6i h ARG 88 N -0.46 0.21 -0.39 0.20 0.11 -1.16 -0.82 114.38 112.06 1a6i h ARG 88 Ca -0.04 -0.01 0.03 0.00 0.10 0.00 0.00 59.98 60.06 1a6i h ARG 88 Cb 0.35 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 31.35 1a6i h ARG 88 CO 0.06 0.14 0.20 0.00 0.10 0.00 0.00 179.97 180.48 1a6i h ALA 89 N 1.28 0.48 -0.02 0.08 0.00 -1.08 -1.95 119.26 118.06 1a6i h ALA 89 Ca 0.18 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1a6i h ALA 89 Cb 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1a6i h ALA 89 CO -0.23 -0.15 -0.19 -0.07 0.00 0.00 0.00 179.25 178.61 1a6i h LEU 90 N 0.42 0.02 0.00 0.00 4.07 -0.61 -2.75 115.31 116.46 1a6i h LEU 90 Ca 0.16 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1a6i h LEU 90 Cb 0.05 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1a6i h LEU 90 CO -0.10 0.21 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.29 1a6i h LEU 91 N 0.03 0.00 -1.87 1.67 3.38 -0.45 -3.33 115.31 114.73 1a6i h LEU 91 Ca 0.00 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1a6i h LEU 91 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1a6i h LEU 91 CO 0.02 0.00 0.27 -0.09 0.09 0.00 0.00 178.44 178.74 1a6i h ARG 92 N 0.00 0.14 -6.34 1.13 9.65 -1.07 -3.43 114.38 114.46 1a6i h ARG 92 Ca 0.00 -0.01 -0.59 0.00 -1.10 0.00 0.00 59.98 58.28 1a6i h ARG 92 Cb 0.95 -0.03 -0.21 0.00 -1.39 0.00 0.00 29.97 29.29 1a6i h ARG 92 CO 0.00 0.10 -0.83 0.71 2.80 0.00 0.00 179.97 182.74 1a6i s TYR 93 N -5.16 1.94 0.27 2.20 2.02 -1.26 -5.08 117.35 112.28 1a6i s TYR 93 Ca -0.06 -0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 55.93 1a6i s TYR 93 Cb 0.19 -1.04 -0.11 0.00 -0.40 0.00 0.00 41.96 40.59 1a6i s TYR 93 CO 0.72 0.26 1.56 0.50 -1.57 0.00 0.00 175.55 177.03 1a6i s ARG 94 N -2.07 4.16 -1.69 -0.62 3.52 -1.26 -1.40 118.95 119.58 1a6i s ARG 94 Ca 0.10 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.20 1a6i s ARG 94 Cb -0.09 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 1a6i s ARG 94 CO 0.05 -0.59 0.00 -0.25 -0.81 0.00 0.00 175.30 173.70 1a6i n ASP 95 N 2.42 -4.62 -0.35 -2.12 8.00 -1.26 -4.74 116.55 113.88 1a6i n ASP 95 Ca 0.09 0.32 0.11 0.00 0.71 0.00 0.00 54.79 56.02 1a6i n ASP 95 Cb 0.38 -4.08 0.30 0.00 -0.02 0.00 0.00 41.12 37.70 1a6i n ASP 95 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1a6i h GLY 96 N 0.00 1.71 1.02 0.44 0.00 -1.37 -0.75 103.07 104.12 1a6i h GLY 96 Ca -0.36 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 1a6i h GLY 96 CO 0.50 0.01 0.09 0.00 0.00 0.00 0.00 176.54 177.14 1a6i h ALA 97 N 1.61 0.74 -0.30 3.60 0.00 -1.84 -1.93 119.26 121.15 1a6i h ALA 97 Ca 0.55 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1a6i h ALA 97 Cb 0.78 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1a6i h ALA 97 CO -0.34 0.49 -0.15 0.87 0.00 0.00 0.00 179.25 180.13 1a6i h LYS 98 N 0.82 0.52 -0.33 0.00 1.57 -1.57 0.31 116.57 117.89 1a6i h LYS 98 Ca 0.17 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1a6i h LYS 98 Cb 0.42 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1a6i h LYS 98 CO 0.01 0.66 -0.00 0.28 -0.57 0.00 0.00 179.45 179.83 1a6i h VAL 99 N 0.48 1.26 -0.18 0.50 2.07 -1.03 -2.14 116.25 117.20 1a6i h VAL 99 Ca 0.08 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1a6i h VAL 99 Cb 0.54 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1a6i h VAL 99 CO 0.03 0.32 0.02 -0.74 0.02 0.00 0.00 177.57 177.22 1a6i h HIS 100 N 0.38 0.33 -0.64 1.57 -0.00 -0.99 -3.17 115.15 112.64 1a6i h HIS 100 Ca 0.09 -0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.49 1a6i h HIS 100 Cb 0.45 -0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 27.71 1a6i h HIS 100 CO 0.04 0.49 0.30 1.25 -0.00 0.00 0.00 177.93 180.01 1a6i h LEU 101 N 0.08 0.39 0.00 0.26 6.46 -0.35 -2.91 115.31 119.25 1a6i h LEU 101 Ca 0.05 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1a6i h LEU 101 Cb 0.34 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1a6i h LEU 101 CO 0.01 0.24 0.00 0.61 -0.62 0.00 0.00 178.44 178.67 1a6i n GLY 102 N -1.29 -1.28 3.79 3.75 0.00 -0.81 -4.84 105.19 104.51 1a6i n GLY 102 Ca 0.09 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1a6i n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a6i s THR 103 N -2.84 4.78 0.30 2.61 -4.23 -1.10 -5.05 115.64 110.11 1a6i s THR 103 Ca 0.17 -0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 60.12 1a6i s THR 103 Cb 0.17 -3.21 -0.08 0.00 1.34 0.00 0.00 72.50 70.72 1a6i s THR 103 CO 0.44 0.31 0.67 -0.60 -0.54 0.00 0.00 174.62 174.90 1a6i s ARG 104 N -1.86 3.89 0.67 3.99 3.52 -1.26 -4.99 118.95 122.91 1a6i s ARG 104 Ca 0.24 0.48 -0.16 0.00 -0.13 0.00 0.00 55.73 56.17 1a6i s ARG 104 Cb -0.12 -2.51 0.01 0.00 -1.56 0.00 0.00 34.95 30.77 1a6i s ARG 104 CO 0.16 0.19 1.16 -1.25 -0.81 0.00 0.00 175.30 174.75 1a6i s PRO 105 N -3.05 2.61 0.44 5.12 0.04 -1.26 -5.07 135.00 133.83 1a6i s PRO 105 Ca 0.51 1.59 0.02 0.00 0.04 0.00 0.00 61.00 63.16 1a6i s PRO 105 Cb -0.11 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1a6i s PRO 105 CO 0.21 -1.43 0.16 -0.40 0.04 0.00 0.00 177.00 175.57 1a6i n ASP 106 N -2.35 2.84 -0.32 6.66 5.75 -1.26 -4.99 116.55 122.88 1a6i n ASP 106 Ca 0.12 -2.73 0.11 0.00 -0.01 0.00 0.00 54.79 52.29 1a6i n ASP 106 Cb 0.51 0.14 0.29 0.00 -1.03 0.00 0.00 41.12 41.03 1a6i n ASP 106 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1a6i h GLU 107 N 0.00 0.58 -0.24 0.11 4.39 -1.99 -2.07 114.58 115.35 1a6i h GLU 107 Ca -0.32 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.38 1a6i h GLU 107 Cb 1.06 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.54 1a6i h GLU 107 CO 0.52 0.38 0.00 0.87 -1.16 0.00 0.00 179.01 179.63 1a6i h LYS 108 N 0.59 0.08 -0.43 2.33 1.57 -2.01 -2.39 116.57 116.32 1a6i h LYS 108 Ca 0.54 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.21 1a6i h LYS 108 Cb 0.89 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1a6i h LYS 108 CO -0.43 0.05 -0.15 1.96 -0.57 0.00 0.00 179.45 180.32 1a6i h GLN 109 N 0.08 0.79 -0.70 3.15 4.20 -1.79 -2.83 115.11 118.01 1a6i h GLN 109 Ca 0.11 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 1a6i h GLN 109 Cb 0.15 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1a6i h GLN 109 CO -0.19 0.89 0.25 1.88 -0.67 0.00 0.00 178.83 180.99 1a6i h TYR 110 N 0.71 1.08 -0.15 2.96 0.05 -1.14 0.21 116.97 120.68 1a6i h TYR 110 Ca 0.11 -0.09 -0.12 0.00 0.05 0.00 0.00 58.73 58.68 1a6i h TYR 110 Cb 0.64 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1a6i h TYR 110 CO 0.03 0.84 -0.43 -0.44 -1.05 0.00 0.00 178.16 177.11 1a6i h ASP 111 N 1.03 0.38 -0.19 3.88 5.19 -1.38 0.91 116.42 126.23 1a6i h ASP 111 Ca 0.23 -0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.44 1a6i h ASP 111 Cb 0.24 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1a6i h ASP 111 CO -0.01 0.77 -0.02 0.74 -3.12 0.00 0.00 179.24 177.59 1a6i h THR 112 N 0.29 1.27 -0.81 0.35 2.02 -1.15 -1.95 112.91 112.94 1a6i h THR 112 Ca 0.02 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1a6i h THR 112 Cb 0.89 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 1a6i h THR 112 CO 0.07 0.28 0.46 0.58 0.37 0.00 0.00 175.52 177.28 1a6i h VAL 113 N 0.09 1.23 -0.49 3.16 2.07 -0.43 -2.36 116.25 119.54 1a6i h VAL 113 Ca 0.05 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1a6i h VAL 113 Cb 0.44 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1a6i h VAL 113 CO 0.01 0.26 0.24 -0.08 0.02 0.00 0.00 177.57 178.02 1a6i h GLU 114 N 1.11 0.45 0.43 1.57 4.57 -0.59 -1.72 114.58 120.41 1a6i h GLU 114 Ca 0.29 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 1a6i h GLU 114 Cb 0.01 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1a6i h GLU 114 CO -0.05 0.30 -0.26 1.15 -1.18 0.00 0.00 179.01 178.98 1a6i h THR 115 N 0.47 0.47 -0.92 0.32 2.02 -0.98 -1.51 112.91 112.78 1a6i h THR 115 Ca 0.21 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.52 1a6i h THR 115 Cb 0.13 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 66.94 1a6i h THR 115 CO -0.16 0.00 0.59 1.56 0.37 0.00 0.00 175.52 177.88 1a6i h GLN 116 N -0.65 0.81 -0.33 6.66 4.20 -1.23 0.26 115.11 124.83 1a6i h GLN 116 Ca -0.05 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 1a6i h GLN 116 Cb 0.53 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1a6i h GLN 116 CO 0.05 0.54 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.58 1a6i h LEU 117 N 0.84 0.67 -0.90 1.46 3.38 -1.08 0.19 115.31 119.86 1a6i h LEU 117 Ca 0.45 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1a6i h LEU 117 Cb 0.55 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1a6i h LEU 117 CO -0.21 0.89 0.36 -0.09 0.09 0.00 0.00 178.44 179.49 1a6i h ARG 118 N 0.44 1.16 -0.36 1.13 2.43 -0.27 -1.31 114.38 117.60 1a6i h ARG 118 Ca 0.08 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1a6i h ARG 118 Cb 0.62 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1a6i h ARG 118 CO 0.04 0.90 0.16 0.35 -1.51 0.00 0.00 179.97 179.92 1a6i h PHE 119 N 1.14 0.52 0.38 2.20 3.57 -0.16 -1.48 116.94 123.11 1a6i h PHE 119 Ca 0.27 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1a6i h PHE 119 Cb 0.14 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1a6i h PHE 119 CO 0.02 0.46 -0.18 0.52 -2.23 0.00 0.00 178.31 176.89 1a6i h MET 120 N 0.44 -0.50 -0.74 1.11 2.86 -0.19 -2.90 114.93 115.02 1a6i h MET 120 Ca 0.12 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.86 1a6i h MET 120 Cb 0.14 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 1a6i h MET 120 CO -0.01 -0.32 0.43 1.79 1.06 0.00 0.00 176.91 179.85 1a6i h THR 121 N -0.53 0.98 -0.03 2.22 1.35 -1.18 -0.61 112.91 115.11 1a6i h THR 121 Ca -0.05 -0.27 0.01 0.00 -0.55 0.00 0.00 66.41 65.55 1a6i h THR 121 Cb 0.40 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 66.96 1a6i h THR 121 CO 0.09 0.14 0.06 -0.08 -0.25 0.00 0.00 175.52 175.48 1a6i h GLU 122 N 0.77 0.00 -0.81 4.72 4.81 -1.20 0.32 114.58 123.19 1a6i h GLU 122 Ca 0.33 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.22 1a6i h GLU 122 Cb 0.20 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.38 1a6i h GLU 122 CO -0.19 0.00 0.41 0.09 -0.73 0.00 0.00 179.01 178.59 1a6i n ASN 123 N -3.44 4.15 0.00 1.04 5.03 -0.28 -4.90 115.26 116.87 1a6i n ASN 123 Ca -0.02 -3.44 0.00 0.00 0.87 0.00 0.00 54.58 51.99 1a6i n ASN 123 Cb 0.14 -0.77 0.00 0.00 -1.02 0.00 0.00 39.78 38.13 1a6i n ASN 123 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a6i n GLY 124 N -0.68 0.57 3.79 7.41 0.00 0.09 -5.05 105.19 111.32 1a6i n GLY 124 Ca 0.48 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1a6i n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a6i s PHE 125 N -2.00 3.57 0.30 1.61 0.08 -0.96 -4.99 117.98 115.59 1a6i s PHE 125 Ca 0.00 0.70 -0.28 0.00 0.12 0.00 0.00 56.93 57.47 1a6i s PHE 125 Cb 0.00 -2.24 -0.09 0.00 -0.57 0.00 0.00 43.02 40.11 1a6i s PHE 125 CO 0.00 0.46 1.06 0.45 -0.10 0.00 0.00 175.22 177.09 1a6i s SER 126 N -0.29 7.21 0.27 1.36 0.15 -1.26 -3.84 113.70 117.30 1a6i s SER 126 Ca 0.18 2.15 -0.10 0.00 0.70 0.00 0.00 55.95 58.88 1a6i s SER 126 Cb -0.14 -2.61 0.42 0.00 -1.71 0.00 0.00 66.02 61.98 1a6i s SER 126 CO 0.07 -0.17 1.56 -0.07 1.20 0.00 0.00 173.24 175.82 1a6i h LEU 127 N 3.53 -1.02 -0.14 3.45 3.38 -1.97 0.35 115.31 122.89 1a6i h LEU 127 Ca -0.47 0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1a6i h LEU 127 Cb 1.21 0.65 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 1a6i h LEU 127 CO 0.66 -0.32 -0.06 0.08 0.09 0.00 0.00 178.44 178.89 1a6i h ARG 128 N -0.00 0.28 -0.48 1.13 -0.00 -1.98 -0.53 114.38 112.80 1a6i h ARG 128 Ca 0.45 -0.12 -0.04 0.00 -0.00 0.00 0.00 59.98 60.28 1a6i h ARG 128 Cb 0.70 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.64 1a6i h ARG 128 CO -1.02 0.60 0.14 -0.44 -0.00 0.00 0.00 179.97 179.25 1a6i h ASP 129 N -0.05 0.65 0.03 0.08 5.19 -1.59 0.26 116.42 120.98 1a6i h ASP 129 Ca 0.03 -0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 56.21 1a6i h ASP 129 Cb 0.51 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1a6i h ASP 129 CO 0.02 0.63 -0.46 1.23 -3.12 0.00 0.00 179.24 177.54 1a6i h GLY 130 N 0.88 0.56 0.72 2.75 0.00 -0.25 -0.39 103.07 107.34 1a6i h GLY 130 Ca 0.16 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1a6i h GLY 130 CO -0.01 0.54 -0.12 -2.00 0.00 0.00 0.00 176.54 174.95 1a6i h LEU 131 N 0.41 -0.29 -1.47 3.11 6.46 -0.25 -2.19 115.31 121.09 1a6i h LEU 131 Ca 0.03 -0.18 0.13 0.00 -0.12 0.00 0.00 57.88 57.74 1a6i h LEU 131 Cb 0.97 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.92 1a6i h LEU 131 CO 0.09 0.03 0.51 1.88 -0.62 0.00 0.00 178.44 180.33 1a6i h TYR 132 N -0.63 0.62 0.19 1.25 -1.99 -0.41 -0.04 116.97 115.95 1a6i h TYR 132 Ca -0.03 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1a6i h TYR 132 Cb 0.45 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 38.98 1a6i h TYR 132 CO 0.02 0.25 -0.09 0.00 -0.00 0.00 0.00 178.16 178.34 1a6i h ALA 133 N 1.63 -0.25 -0.74 3.88 0.00 -0.90 -1.07 119.26 121.80 1a6i h ALA 133 Ca 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1a6i h ALA 133 Cb 0.69 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1a6i h ALA 133 CO -0.14 -0.49 0.41 0.82 0.00 0.00 0.00 179.25 179.86 1a6i h ILE 134 N -0.57 1.22 -0.21 0.00 2.04 -0.82 -2.48 117.51 116.68 1a6i h ILE 134 Ca -0.03 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 1a6i h ILE 134 Cb 0.42 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1a6i h ILE 134 CO 0.04 0.24 -0.09 0.28 0.00 0.00 0.00 178.15 178.63 1a6i h SER 135 N 1.03 0.44 -0.88 1.72 0.02 -0.98 -2.50 113.55 112.40 1a6i h SER 135 Ca 0.26 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1a6i h SER 135 Cb 0.01 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1a6i h SER 135 CO -0.04 0.74 0.58 0.00 -1.14 0.00 0.00 176.83 176.97 1a6i h ALA 136 N 0.72 1.38 -0.20 3.77 0.00 -1.03 0.65 119.26 124.56 1a6i h ALA 136 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1a6i h ALA 136 Cb 0.56 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1a6i h ALA 136 CO 0.03 0.57 0.06 0.28 0.00 0.00 0.00 179.25 180.19 1a6i h VAL 137 N 1.18 1.18 0.47 0.00 2.07 -1.36 -1.47 116.25 118.32 1a6i h VAL 137 Ca 0.33 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1a6i h VAL 137 Cb -0.12 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1a6i h VAL 137 CO -0.08 0.18 -0.23 0.28 0.02 0.00 0.00 177.57 177.74 1a6i h SER 138 N 0.15 -0.55 -0.64 0.57 0.02 -0.97 -0.46 113.55 111.67 1a6i h SER 138 Ca 0.06 0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.16 1a6i h SER 138 Cb 0.22 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 62.81 1a6i h SER 138 CO -0.00 -0.39 0.09 0.45 -1.14 0.00 0.00 176.83 175.84 1a6i h HIS 139 N -0.64 0.13 -0.53 3.45 3.86 -0.79 0.21 115.15 120.84 1a6i h HIS 139 Ca -0.06 0.04 -0.12 0.00 -1.16 0.00 0.00 60.37 59.07 1a6i h HIS 139 Cb 0.49 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1a6i h HIS 139 CO -0.05 -0.10 -0.15 0.35 0.86 0.00 0.00 177.93 178.84 1a6i h PHE 140 N 0.21 1.17 -0.45 2.45 3.57 -1.13 -1.02 116.94 121.73 1a6i h PHE 140 Ca 0.34 -0.26 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 1a6i h PHE 140 Cb 0.55 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1a6i h PHE 140 CO -0.30 1.09 -0.16 1.15 -2.23 0.00 0.00 178.31 177.87 1a6i h THR 141 N 0.91 1.27 0.08 4.41 2.02 0.16 -1.84 112.91 119.92 1a6i h THR 141 Ca 0.13 -1.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.01 1a6i h THR 141 Cb 0.73 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1a6i h THR 141 CO 0.06 0.44 -0.04 -0.07 0.37 0.00 0.00 175.52 176.28 1a6i h LEU 142 N 0.73 -0.09 -0.85 2.58 3.38 -0.54 -0.63 115.31 119.89 1a6i h LEU 142 Ca 0.11 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1a6i h LEU 142 Cb 0.72 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1a6i h LEU 142 CO 0.05 0.08 0.55 1.23 0.09 0.00 0.00 178.44 180.45 1a6i h GLY 143 N -0.26 1.22 0.87 0.83 0.00 -1.19 0.10 103.07 104.65 1a6i h GLY 143 Ca -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1a6i h GLY 143 CO 0.02 0.38 0.04 0.00 0.00 0.00 0.00 176.54 176.98 1a6i h ALA 144 N 1.34 0.13 -0.43 3.60 0.00 -1.19 -1.24 119.26 121.47 1a6i h ALA 144 Ca 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1a6i h ALA 144 Cb -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1a6i h ALA 144 CO -0.10 -0.29 0.22 0.28 0.00 0.00 0.00 179.25 179.35 1a6i h VAL 145 N 0.01 1.17 -0.67 0.00 2.07 -0.80 -2.23 116.25 115.81 1a6i h VAL 145 Ca 0.03 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1a6i h VAL 145 Cb 0.16 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1a6i h VAL 145 CO -0.00 0.18 0.24 -0.07 0.02 0.00 0.00 177.57 177.94 1a6i h LEU 146 N 0.56 0.93 -0.31 2.57 3.38 -0.75 -0.26 115.31 121.43 1a6i h LEU 146 Ca 0.15 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1a6i h LEU 146 Cb 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1a6i h LEU 146 CO -0.02 0.85 0.18 -0.33 0.09 0.00 0.00 178.44 179.20 1a6i h GLU 147 N 0.98 0.35 0.77 1.13 4.39 -1.00 -1.95 114.58 119.25 1a6i h GLU 147 Ca 0.22 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 1a6i h GLU 147 Cb 0.23 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1a6i h GLU 147 CO -0.01 0.23 -0.37 0.37 -1.16 0.00 0.00 179.01 178.07 1a6i h GLN 148 N 0.36 -1.00 -0.22 2.33 4.15 -0.93 -2.77 115.11 117.03 1a6i h GLN 148 Ca 0.12 0.07 0.06 0.00 0.77 0.00 0.00 58.65 59.67 1a6i h GLN 148 Cb 0.00 0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1a6i h GLN 148 CO -0.06 -0.67 0.23 1.96 -1.93 0.00 0.00 178.83 178.37 1a6i h GLN 149 N -1.21 0.00 0.00 1.69 4.20 -1.08 0.42 115.11 119.13 1a6i h GLN 149 Ca -0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1a6i h GLN 149 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1a6i h GLN 149 CO 0.17 0.00 -0.39 -1.91 -0.67 0.00 0.00 178.83 176.04 1a6i n GLU 150 N -3.85 0.21 -0.23 1.46 4.07 -0.74 -4.92 120.64 116.64 1a6i n GLU 150 Ca 0.03 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1a6i n GLU 150 Cb 0.37 -1.67 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 1a6i n GLU 150 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1a6i n HIS 151 N -2.00 0.00 0.00 4.31 8.25 0.13 -5.08 115.22 120.83 1a6i n HIS 151 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1a6i n HIS 151 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1a6i n HIS 151 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1a6i n LEU 166 N 0.00 0.00 -4.74 2.41 7.94 -1.26 -5.06 117.00 116.29 1a6i n LEU 166 Ca 0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.56 1a6i n LEU 166 Cb 0.00 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.01 1a6i n LEU 166 CO 0.00 0.00 0.79 -2.84 -1.11 0.00 0.00 177.39 174.23 1a6i s PRO 167 N 0.00 2.54 0.00 1.96 0.02 -1.26 -4.82 135.00 133.44 1a6i s PRO 167 Ca 0.00 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.67 1a6i s PRO 167 Cb 0.00 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.63 1a6i s PRO 167 CO 0.00 -1.50 0.62 -2.30 -0.33 0.00 0.00 177.00 173.49 1a6i n PRO 168 N -2.37 0.00 -0.29 5.54 -0.02 -1.26 -0.55 135.00 136.06 1a6i n PRO 168 Ca 0.12 0.52 0.10 0.00 -2.02 0.00 0.00 63.50 62.22 1a6i n PRO 168 Cb 0.51 -1.12 0.33 0.00 -0.02 0.00 0.00 33.50 33.19 1a6i n PRO 168 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1a6i h LEU 169 N 0.00 0.75 -0.64 2.45 4.07 -1.99 -1.11 115.31 118.84 1a6i h LEU 169 Ca 0.00 0.04 -0.13 0.00 0.08 0.00 0.00 57.88 57.87 1a6i h LEU 169 Cb 0.00 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1a6i h LEU 169 CO 0.00 0.40 -0.36 0.25 -1.08 0.00 0.00 178.44 177.65 1a6i h LEU 170 N 0.80 0.70 -0.03 1.67 5.85 -1.95 0.47 115.31 122.83 1a6i h LEU 170 Ca 0.45 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1a6i h LEU 170 Cb 0.59 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1a6i h LEU 170 CO -0.21 1.00 0.00 -0.09 -0.34 0.00 0.00 178.44 178.80 1a6i h ARG 171 N 0.56 0.05 -0.71 1.25 2.43 -0.02 0.14 114.38 118.08 1a6i h ARG 171 Ca 0.06 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1a6i h ARG 171 Cb 0.88 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.37 1a6i h ARG 171 CO 0.08 0.31 0.43 1.49 -1.51 0.00 0.00 179.97 180.76 1a6i h GLU 172 N -0.22 0.79 0.14 0.20 4.57 -1.08 -2.94 114.58 116.04 1a6i h GLU 172 Ca 0.01 -0.05 -0.27 0.00 -1.18 0.00 0.00 59.36 57.87 1a6i h GLU 172 Cb 0.28 -0.18 0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1a6i h GLU 172 CO 0.00 0.52 -1.14 0.00 -1.18 0.00 0.00 179.01 177.21 1a6i h ALA 173 N 1.32 -0.05 -0.99 2.92 0.00 -0.89 -3.36 119.26 118.22 1a6i h ALA 173 Ca 0.30 -0.75 0.34 0.00 0.00 0.00 0.00 54.91 54.79 1a6i h ALA 173 Cb 0.09 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 17.83 1a6i h ALA 173 CO -0.14 0.59 0.51 1.25 0.00 0.00 0.00 179.25 181.46 1a6i h LEU 174 N 0.09 0.37 -1.41 0.00 5.85 -0.53 -0.06 115.31 119.62 1a6i h LEU 174 Ca -0.18 0.22 0.12 0.00 0.84 0.00 0.00 57.88 58.87 1a6i h LEU 174 Cb 1.85 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 43.03 1a6i h LEU 174 CO 0.22 -0.24 0.52 0.06 -0.34 0.00 0.00 178.44 178.66 1a6i h GLN 175 N 0.21 0.60 -0.26 1.25 -0.00 -1.70 -1.25 115.11 113.96 1a6i h GLN 175 Ca 0.75 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.65 59.27 1a6i h GLN 175 Cb 1.77 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.48 29.11 1a6i h GLN 175 CO -0.67 0.40 -0.19 0.82 -0.00 0.00 0.00 178.83 179.18 1a6i h ILE 176 N 0.62 1.31 -0.28 1.86 2.04 -1.25 -2.10 117.51 119.71 1a6i h ILE 176 Ca 0.38 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 1a6i h ILE 176 Cb 0.61 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1a6i h ILE 176 CO -0.14 0.41 0.08 -0.03 0.00 0.00 0.00 178.15 178.47 1a6i h MET 177 N 0.30 0.44 -0.48 2.37 4.05 -1.49 -3.26 114.93 116.86 1a6i h MET 177 Ca 0.05 -0.10 -0.11 0.00 -0.28 0.00 0.00 59.70 59.26 1a6i h MET 177 Cb 0.73 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 1a6i h MET 177 CO 0.05 0.51 -0.12 -0.44 0.23 0.00 0.00 176.91 177.14 1a6i h ASP 178 N 0.29 0.90 0.00 1.39 5.19 -1.25 -3.18 116.42 119.76 1a6i h ASP 178 Ca 0.09 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1a6i h ASP 178 Cb 0.26 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1a6i h ASP 178 CO -0.00 1.03 0.00 -1.20 -3.12 0.00 0.00 179.24 175.95 1a6i n SER 179 N -4.15 1.81 -3.46 6.45 7.64 -0.79 -4.68 113.62 116.43 1a6i n SER 179 Ca 0.01 -1.32 -0.13 0.00 1.01 0.00 0.00 58.87 58.44 1a6i n SER 179 Cb 0.39 -0.33 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1a6i n SER 179 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1a6i s ASP 180 N 0.83 -0.57 0.00 6.43 2.15 -1.20 -5.03 116.67 119.28 1a6i s ASP 180 Ca 0.00 0.16 0.08 0.00 0.43 0.00 0.00 52.55 53.22 1a6i s ASP 180 Cb 0.00 0.57 0.46 0.00 -0.30 0.00 0.00 42.92 43.65 1a6i s ASP 180 CO 0.00 -0.87 1.21 -0.90 -0.17 0.00 0.00 175.17 174.44 1a6i n ASP 181 N -0.03 0.00 0.00 -0.34 5.75 -1.26 -4.81 116.55 115.87 1a6i n ASP 181 Ca -0.18 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 1a6i n ASP 181 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1a6i n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a6i n GLY 182 N 0.51 0.63 0.17 6.12 0.00 -1.26 -4.98 105.19 106.38 1a6i n GLY 182 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1a6i n GLY 182 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a6i h GLU 183 N 4.55 0.52 0.31 1.61 4.81 -1.95 -2.67 114.58 121.76 1a6i h GLU 183 Ca 0.00 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1a6i h GLU 183 Cb 0.00 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1a6i h GLU 183 CO 0.00 0.52 -0.50 1.96 -0.73 0.00 0.00 179.01 180.26 1a6i h GLN 184 N 0.41 -0.82 -0.98 1.92 4.20 -1.97 0.40 115.11 118.27 1a6i h GLN 184 Ca 0.12 0.06 0.16 0.00 0.06 0.00 0.00 58.65 59.04 1a6i h GLN 184 Cb 0.19 0.19 -0.10 0.00 0.30 0.00 0.00 27.48 28.06 1a6i h GLN 184 CO -0.01 -0.55 0.59 0.00 -0.67 0.00 0.00 178.83 178.19 1a6i h ALA 185 N -0.78 1.56 0.32 3.87 0.00 -1.98 0.28 119.26 122.54 1a6i h ALA 185 Ca -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1a6i h ALA 185 Cb 0.79 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1a6i h ALA 185 CO -0.16 0.03 -0.15 0.35 0.00 0.00 0.00 179.25 179.31 1a6i h PHE 186 N 0.81 -0.40 -0.27 0.00 3.57 -1.07 -1.38 116.94 118.20 1a6i h PHE 186 Ca 0.54 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 62.01 1a6i h PHE 186 Cb 0.74 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1a6i h PHE 186 CO -0.02 -0.15 0.10 -0.07 -2.23 0.00 0.00 178.31 175.94 1a6i h LEU 187 N -0.58 0.33 -0.09 0.59 3.38 -0.18 0.80 115.31 119.56 1a6i h LEU 187 Ca -0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1a6i h LEU 187 Cb 0.43 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1a6i h LEU 187 CO 0.07 0.31 -0.02 -0.74 0.09 0.00 0.00 178.44 178.16 1a6i h HIS 188 N 0.37 0.20 -0.23 1.13 2.76 -0.82 -2.33 115.15 116.24 1a6i h HIS 188 Ca 0.09 -0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 1a6i h HIS 188 Cb 0.09 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1a6i h HIS 188 CO 0.00 0.48 -0.15 0.78 -1.30 0.00 0.00 177.93 177.74 1a6i h GLY 189 N -0.14 0.41 0.93 5.26 0.00 -0.59 -2.23 103.07 106.72 1a6i h GLY 189 Ca 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1a6i h GLY 189 CO 0.01 0.26 0.08 -2.00 0.00 0.00 0.00 176.54 174.88 1a6i h LEU 190 N 0.36 0.18 -0.51 3.11 5.85 -0.75 -0.30 115.31 123.24 1a6i h LEU 190 Ca 0.07 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1a6i h LEU 190 Cb 0.47 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1a6i h LEU 190 CO 0.03 0.22 0.30 -0.33 -0.34 0.00 0.00 178.44 178.31 1a6i h GLU 191 N 0.12 0.58 -0.70 1.25 4.39 -1.14 0.93 114.58 120.02 1a6i h GLU 191 Ca 0.05 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1a6i h GLU 191 Cb 0.08 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1a6i h GLU 191 CO -0.01 0.38 0.40 0.77 -1.16 0.00 0.00 179.01 179.39 1a6i h SER 192 N 0.59 0.84 -0.15 1.42 0.02 -1.15 -0.69 113.55 114.44 1a6i h SER 192 Ca 0.21 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1a6i h SER 192 Cb 0.03 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 1a6i h SER 192 CO -0.10 0.67 -0.11 0.25 -1.14 0.00 0.00 176.83 176.40 1a6i h LEU 193 N 0.96 0.35 -1.02 5.07 5.85 -0.09 -2.43 115.31 124.00 1a6i h LEU 193 Ca 0.25 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1a6i h LEU 193 Cb -0.00 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1a6i h LEU 193 CO -0.04 0.73 0.66 0.40 -0.34 0.00 0.00 178.44 179.85 1a6i h ILE 194 N -0.03 1.25 -0.23 4.05 2.04 -0.47 -2.80 117.51 121.33 1a6i h ILE 194 Ca 0.03 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1a6i h ILE 194 Cb 0.61 -0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1a6i h ILE 194 CO 0.03 0.25 0.08 -0.09 0.00 0.00 0.00 178.15 178.41 1a6i h ARG 195 N 1.35 0.35 -0.74 2.37 9.65 -1.09 -2.16 114.38 124.10 1a6i h ARG 195 Ca 0.37 -0.07 0.17 0.00 -1.10 0.00 0.00 59.98 59.34 1a6i h ARG 195 Cb -0.15 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.33 1a6i h ARG 195 CO -0.08 0.43 0.51 0.78 2.80 0.00 0.00 179.97 184.40 1a6i h GLY 196 N 0.20 0.52 1.22 2.80 0.00 -1.19 0.12 103.07 106.75 1a6i h GLY 196 Ca 0.07 -0.13 -0.21 0.00 0.00 0.00 0.00 47.33 47.07 1a6i h GLY 196 CO -0.00 0.03 -0.71 0.74 0.00 0.00 0.00 176.54 176.59 1a6i h PHE 197 N 0.29 1.03 0.34 5.60 0.04 -1.20 -2.47 116.94 120.57 1a6i h PHE 197 Ca 0.37 -0.43 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 1a6i h PHE 197 Cb 1.02 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 1a6i h PHE 197 CO -0.00 1.26 -0.25 0.93 -0.60 0.00 0.00 178.31 179.64 1a6i h GLU 198 N 0.55 -0.57 -0.58 1.51 5.08 -0.21 0.52 114.58 120.88 1a6i h GLU 198 Ca -0.03 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 1a6i h GLU 198 Cb 1.33 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1a6i h GLU 198 CO 0.15 -0.38 0.44 0.28 -1.00 0.00 0.00 179.01 178.50 1a6i h VAL 199 N -0.59 0.64 0.19 3.13 2.07 -1.16 -0.41 116.25 120.13 1a6i h VAL 199 Ca -0.03 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.14 1a6i h VAL 199 Cb 0.51 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1a6i h VAL 199 CO 0.00 0.00 -1.75 -0.61 0.02 0.00 0.00 177.57 175.23 1a6i h GLN 200 N 0.00 0.40 0.52 1.57 5.75 -0.84 -3.26 115.11 119.24 1a6i h GLN 200 Ca 0.28 -0.68 -0.03 0.00 -0.15 0.00 0.00 58.65 58.07 1a6i h GLN 200 Cb 1.15 0.25 0.01 0.00 1.07 0.00 0.00 27.48 29.96 1a6i h GLN 200 CO -0.00 1.32 -0.25 1.25 -2.65 0.00 0.00 178.83 178.50 1a6i h LEU 201 N 0.11 -0.59 -0.62 -2.39 6.46 0.14 -2.93 115.31 115.50 1a6i h LEU 201 Ca -0.34 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 1a6i h LEU 201 Cb 2.10 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 42.18 1a6i h LEU 201 CO 0.18 -0.33 0.00 0.35 -0.62 0.00 0.00 178.44 178.02 1a6i n THR 202 N -5.34 0.00 -0.11 1.05 -2.24 -0.30 -3.41 114.28 103.93 1a6i n THR 202 Ca -0.12 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 1a6i n THR 202 Cb 0.31 -0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.13 1a6i n THR 202 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a6i n ALA 203 N -0.15 1.52 -0.79 6.98 0.00 -1.10 -5.03 120.51 121.94 1a6i n ALA 203 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1a6i n ALA 203 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1a6i n ALA 203 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1a6i n LEU 204 N -3.05 0.00 -0.78 0.00 7.99 -1.22 -2.22 117.00 117.72 1a6i n LEU 204 Ca -0.38 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 55.65 1a6i n LEU 204 Cb 0.96 0.00 0.11 0.00 -0.11 0.00 0.00 43.42 44.39 1a6i n LEU 204 CO 0.26 0.00 0.48 0.00 -1.51 0.00 0.00 177.39 176.62 1a6i n LEU 205 N 0.00 2.08 -4.94 2.23 -0.00 -1.26 -4.91 117.00 110.20 1a6i n LEU 205 Ca 0.00 -1.05 -0.24 0.00 -0.00 0.00 0.00 56.01 54.72 1a6i n LEU 205 Cb 0.00 -0.44 -0.02 0.00 -0.00 0.00 0.00 43.42 42.96 1a6i n LEU 205 CO 0.00 0.34 0.11 -1.10 -0.00 0.00 0.00 177.39 176.74 1a6i s GLN 206 N -1.58 3.50 -0.39 1.47 -0.21 -0.94 -5.04 119.66 116.47 1a6i s GLN 206 Ca 0.16 -0.38 -0.28 0.00 0.02 0.00 0.00 55.36 54.88 1a6i s GLN 206 Cb 0.11 -2.73 0.02 0.00 1.00 0.00 0.00 33.01 31.41 1a6i s GLN 206 CO 0.06 0.25 1.05 0.42 -2.12 0.00 0.00 175.29 174.95 1a6i s ILE 207 N -2.15 4.43 -0.95 1.08 1.01 -1.26 -5.00 121.20 118.36 1a6i s ILE 207 Ca 0.39 1.38 0.08 0.00 0.00 0.00 0.00 60.65 62.49 1a6i s ILE 207 Cb -0.10 -4.46 0.06 0.00 0.01 0.00 0.00 42.46 37.97 1a6i s ILE 207 CO 0.33 -0.69 0.74 0.55 0.00 0.00 0.00 174.94 175.87