#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6m s LEU 3 N 0.00 0.24 -0.19 2.46 0.20 -0.25 -4.98 118.68 116.15 1u6m s LEU 3 Ca 0.00 0.66 -0.02 0.00 0.69 0.00 0.00 54.13 55.46 1u6m s LEU 3 Cb 0.00 0.97 -0.00 0.00 -0.43 0.00 0.00 46.19 46.72 1u6m s LEU 3 CO 0.00 -0.17 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.16 1u6m s ILE 4 N 1.28 3.05 0.14 6.68 1.01 -1.26 0.17 121.20 132.28 1u6m s ILE 4 Ca -0.09 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 1u6m s ILE 4 Cb -0.09 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1u6m s ILE 4 CO -0.10 0.47 0.30 0.00 0.00 0.00 0.00 174.94 175.61 1u6m s ARG 5 N 1.19 1.08 0.46 2.79 1.70 -0.82 -4.99 118.95 120.37 1u6m s ARG 5 Ca 0.02 -1.01 -0.21 0.00 -0.47 0.00 0.00 55.73 54.06 1u6m s ARG 5 Cb -0.14 0.40 -0.09 0.00 -0.57 0.00 0.00 34.95 34.54 1u6m s ARG 5 CO -0.03 -0.40 1.02 -1.54 -1.08 0.00 0.00 175.30 173.26 1u6m s SER 6 N -2.90 6.53 0.76 -2.89 1.04 -1.26 0.73 113.70 115.70 1u6m s SER 6 Ca 0.11 1.87 -0.14 0.00 0.48 0.00 0.00 55.95 58.27 1u6m s SER 6 Cb 0.03 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.65 1u6m s SER 6 CO -0.05 -0.65 1.21 0.00 0.98 0.00 0.00 173.24 174.73 1u6m s ALA 7 N -2.01 2.01 0.49 5.32 0.00 0.33 -4.72 121.76 123.18 1u6m s ALA 7 Ca 0.65 0.89 0.03 0.00 0.00 0.00 0.00 51.96 53.53 1u6m s ALA 7 Cb -0.15 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 1u6m s ALA 7 CO 0.19 -2.05 0.10 0.95 0.00 0.00 0.00 175.76 174.94 1u6m s THR 8 N -2.02 1.50 0.41 0.00 -4.23 -1.26 -4.68 115.64 105.36 1u6m s THR 8 Ca 0.74 -1.87 0.09 0.00 -1.18 0.00 0.00 61.69 59.47 1u6m s THR 8 Cb -0.30 -2.37 0.23 0.00 1.34 0.00 0.00 72.50 71.40 1u6m s THR 8 CO 0.47 0.00 2.02 0.50 -0.54 0.00 0.00 174.62 177.07 1u6m h LYS 9 N 1.31 0.39 0.00 3.99 3.64 -1.95 -1.67 116.57 122.28 1u6m h LYS 9 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1u6m h LYS 9 Cb 1.30 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1u6m h LYS 9 CO 0.72 0.33 0.00 -0.85 -2.27 0.00 0.00 179.45 177.38 1u6m n GLU 10 N -4.42 0.28 -0.00 1.90 0.00 -1.26 -2.60 120.64 114.54 1u6m n GLU 10 Ca 0.01 0.06 0.05 0.00 0.00 0.00 0.00 57.16 57.28 1u6m n GLU 10 Cb 0.13 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.35 1u6m n GLU 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1u6m n ASP 11 N -1.33 0.06 0.04 -1.84 8.00 -0.63 -4.41 116.55 116.45 1u6m n ASP 11 Ca 0.10 -1.71 -0.12 0.00 0.71 0.00 0.00 54.79 53.77 1u6m n ASP 11 Cb 0.21 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 1u6m n ASP 11 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1u6m h GLY 12 N 5.69 -0.52 1.05 0.44 0.00 -1.67 -0.31 103.07 107.75 1u6m h GLY 12 Ca 0.00 0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.69 1u6m h GLY 12 CO 0.00 -0.23 0.36 1.46 0.00 0.00 0.00 176.54 178.13 1u6m h GLN 13 N -0.46 1.21 -0.48 4.80 1.08 -1.88 0.01 115.11 119.40 1u6m h GLN 13 Ca 0.07 -0.20 -0.08 0.00 -1.45 0.00 0.00 58.65 56.99 1u6m h GLN 13 Cb 0.56 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1u6m h GLN 13 CO -0.30 0.96 -0.03 0.00 -0.95 0.00 0.00 178.83 178.51 1u6m h ALA 14 N 1.20 0.65 -0.32 3.87 0.00 -1.75 -0.50 119.26 122.40 1u6m h ALA 14 Ca 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1u6m h ALA 14 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1u6m h ALA 14 CO -0.03 0.49 0.13 0.82 0.00 0.00 0.00 179.25 180.65 1u6m h ILE 15 N 0.73 1.19 -0.92 0.00 2.04 -0.92 -2.70 117.51 116.91 1u6m h ILE 15 Ca 0.13 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.46 1u6m h ILE 15 Cb 0.55 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1u6m h ILE 15 CO 0.03 0.20 0.60 0.00 0.00 0.00 0.00 178.15 178.99 1u6m h ALA 16 N 0.97 1.44 -0.57 1.87 0.00 -0.67 0.82 119.26 123.12 1u6m h ALA 16 Ca 0.11 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1u6m h ALA 16 Cb 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1u6m h ALA 16 CO -0.01 0.45 -0.03 0.00 0.00 0.00 0.00 179.25 179.67 1u6m h ARG 17 N 1.12 1.01 -0.21 0.00 3.08 -0.95 0.26 114.38 118.69 1u6m h ARG 17 Ca 0.38 -0.32 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1u6m h ARG 17 Cb 0.08 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1u6m h ARG 17 CO -0.13 1.00 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.49 1u6m h LEU 18 N 0.92 0.55 -0.62 3.04 3.38 -1.07 -3.20 115.31 118.31 1u6m h LEU 18 Ca 0.16 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1u6m h LEU 18 Cb 0.57 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1u6m h LEU 18 CO 0.03 0.92 0.38 0.58 0.09 0.00 0.00 178.44 180.44 1u6m h VAL 19 N 0.20 1.18 -1.05 1.22 2.07 -0.68 -2.37 116.25 116.81 1u6m h VAL 19 Ca 0.03 -0.37 0.33 0.00 0.82 0.00 0.00 66.70 67.51 1u6m h VAL 19 Cb 0.76 0.31 -0.14 0.00 -1.52 0.00 0.00 31.29 30.71 1u6m h VAL 19 CO 0.05 0.18 0.62 0.25 0.02 0.00 0.00 177.57 178.69 1u6m h LEU 20 N 0.83 0.48 0.11 2.57 6.46 -0.95 -1.37 115.31 123.45 1u6m h LEU 20 Ca 0.22 0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 58.15 1u6m h LEU 20 Cb -0.04 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1u6m h LEU 20 CO -0.04 -0.11 -0.05 0.58 -0.62 0.00 0.00 178.44 178.19 1u6m h VAL 21 N 0.31 0.92 -0.58 1.05 2.07 -1.42 -2.85 116.25 115.76 1u6m h VAL 21 Ca 0.73 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 68.26 1u6m h VAL 21 Cb 1.76 1.00 -0.10 0.00 -1.52 0.00 0.00 31.29 32.42 1u6m h VAL 21 CO -0.55 0.03 -0.02 0.40 0.02 0.00 0.00 177.57 177.45 1u6m h ILE 22 N -0.20 0.51 -3.97 4.57 2.04 -1.33 -2.77 117.51 116.37 1u6m h ILE 22 Ca -0.02 -0.03 -0.50 0.00 1.00 0.00 0.00 64.86 65.31 1u6m h ILE 22 Cb 0.16 0.41 0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1u6m h ILE 22 CO 0.02 0.02 0.47 -0.76 0.00 0.00 0.00 178.15 177.90 1u6m s LEU 23 N -10.67 4.12 0.00 1.44 1.43 -0.75 -1.73 118.68 112.51 1u6m s LEU 23 Ca -0.14 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1u6m s LEU 23 Cb 0.18 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 42.25 1u6m s LEU 23 CO 0.73 -0.70 0.00 2.29 0.23 0.00 0.00 176.35 178.91 1u6m n LYS 24 N -0.16 0.00 0.21 1.70 2.85 -1.26 -4.31 118.16 117.19 1u6m n LYS 24 Ca 0.05 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.36 1u6m n LYS 24 Cb 0.48 0.00 0.47 0.00 -0.65 0.00 0.00 35.03 35.33 1u6m n LYS 24 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1u6m h ASP 25 N 0.00 0.02 1.57 -5.58 1.82 -1.34 -2.41 116.42 110.51 1u6m h ASP 25 Ca 0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1u6m h ASP 25 Cb 0.00 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1u6m h ASP 25 CO 0.00 0.22 -0.06 0.24 -1.61 0.00 0.00 179.24 178.03 1u6m h MET 26 N 0.02 0.00 -5.65 0.28 2.86 -1.52 -3.48 114.93 107.43 1u6m h MET 26 Ca 0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.33 1u6m h MET 26 Cb 0.36 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.19 1u6m h MET 26 CO 0.03 0.00 -0.81 0.39 1.06 0.00 0.00 176.91 177.57 1u6m n GLU 27 N -2.50 -4.82 -2.19 1.72 1.02 -0.91 -4.91 120.64 108.05 1u6m n GLU 27 Ca 0.05 0.82 -0.41 0.00 -0.02 0.00 0.00 57.16 57.59 1u6m n GLU 27 Cb 0.46 -5.72 -0.03 0.00 -0.02 0.00 0.00 31.44 26.13 1u6m n GLU 27 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1u6m s LEU 28 N -6.08 4.41 0.55 -4.62 1.02 -1.26 -4.80 118.68 107.90 1u6m s LEU 28 Ca 0.17 2.41 0.29 0.00 0.02 0.00 0.00 54.13 57.02 1u6m s LEU 28 Cb -0.03 -3.61 1.63 0.00 0.02 0.00 0.00 46.19 44.21 1u6m s LEU 28 CO 0.75 -0.56 2.15 -0.65 0.02 0.00 0.00 176.35 178.05 1u6m h PRO 29 N 5.59 0.00 -0.06 1.29 0.11 -1.91 -2.61 132.00 134.41 1u6m h PRO 29 Ca -0.44 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1u6m h PRO 29 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u6m h PRO 29 CO 0.79 0.07 0.14 0.97 -0.21 0.00 0.00 178.00 179.76 1u6m h ILE 30 N 0.00 0.19 0.00 4.15 6.09 -1.90 -1.86 117.51 124.18 1u6m h ILE 30 Ca -0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1u6m h ILE 30 Cb 0.20 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.36 1u6m h ILE 30 CO 0.01 0.00 0.00 -0.07 -3.07 0.00 0.00 178.15 175.02 1u6m h LEU 31 N 0.00 0.00 -0.14 2.19 3.38 -1.73 -2.57 115.31 116.43 1u6m h LEU 31 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1u6m h LEU 31 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1u6m h LEU 31 CO -0.00 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.20 1u6m h GLU 32 N 0.00 0.00 0.00 1.13 4.39 -1.53 -3.36 114.58 115.20 1u6m h GLU 32 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1u6m h GLU 32 Cb 0.64 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1u6m h GLU 32 CO 0.00 0.00 -1.53 0.39 -1.16 0.00 0.00 179.01 176.71 1u6m n GLU 33 N -2.44 0.75 -4.84 2.33 4.71 -1.01 -4.98 120.64 115.16 1u6m n GLU 33 Ca 0.05 -0.08 -0.26 0.00 -0.01 0.00 0.00 57.16 56.86 1u6m n GLU 33 Cb 0.42 -1.26 -0.16 0.00 -1.01 0.00 0.00 31.44 29.44 1u6m n GLU 33 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1u6m s VAL 34 N -2.64 1.41 0.69 2.62 1.01 -1.00 -5.13 120.40 117.35 1u6m s VAL 34 Ca -0.04 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 1u6m s VAL 34 Cb 0.06 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1u6m s VAL 34 CO 0.44 0.40 1.14 -0.94 0.00 0.00 0.00 175.10 176.14 1u6m s SER 35 N -0.12 4.80 0.23 3.32 1.04 -1.26 -4.67 113.70 117.04 1u6m s SER 35 Ca -0.00 2.10 -0.07 0.00 0.48 0.00 0.00 55.95 58.45 1u6m s SER 35 Cb -0.10 -2.56 0.38 0.00 0.10 0.00 0.00 66.02 63.84 1u6m s SER 35 CO 0.01 -1.84 1.70 -0.33 0.98 0.00 0.00 173.24 173.76 1u6m h GLU 36 N -0.12 0.28 -0.84 4.02 5.08 -1.99 -0.74 114.58 120.27 1u6m h GLU 36 Ca -0.47 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 57.94 1u6m h GLU 36 Cb 1.26 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 1u6m h GLU 36 CO 0.53 0.18 0.51 1.49 -1.00 0.00 0.00 179.01 180.72 1u6m h GLU 37 N 0.28 0.89 -0.14 2.33 4.81 -2.00 -0.30 114.58 120.46 1u6m h GLU 37 Ca 0.37 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.32 1u6m h GLU 37 Cb 0.58 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.77 1u6m h GLU 37 CO -0.45 0.59 -0.79 1.96 -0.73 0.00 0.00 179.01 179.58 1u6m h GLN 38 N 0.92 0.76 -0.84 1.92 4.20 -1.72 -2.36 115.11 117.98 1u6m h GLN 38 Ca 0.38 -0.63 0.03 0.00 0.06 0.00 0.00 58.65 58.48 1u6m h GLN 38 Cb 0.22 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 1u6m h GLN 38 CO -0.19 1.24 0.55 1.98 -0.67 0.00 0.00 178.83 181.73 1u6m h MET 39 N 0.51 1.05 -0.33 1.46 4.05 -0.62 -1.83 114.93 119.22 1u6m h MET 39 Ca -0.06 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 1u6m h MET 39 Cb 1.42 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.97 1u6m h MET 39 CO 0.16 0.70 0.16 0.82 0.23 0.00 0.00 176.91 178.98 1u6m h ILE 40 N 1.08 1.16 -0.82 1.77 2.04 -0.94 -1.20 117.51 120.59 1u6m h ILE 40 Ca 0.33 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.76 1u6m h ILE 40 Cb -0.03 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1u6m h ILE 40 CO -0.10 0.17 0.54 0.44 0.00 0.00 0.00 178.15 179.20 1u6m h ASP 41 N 0.40 0.91 0.21 1.72 5.19 -1.17 0.23 116.42 123.91 1u6m h ASP 41 Ca 0.11 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1u6m h ASP 41 Cb 0.12 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1u6m h ASP 41 CO -0.01 0.64 -0.10 -0.07 -3.12 0.00 0.00 179.24 176.58 1u6m h LEU 42 N 1.07 -0.24 -0.61 1.55 3.38 -1.02 -1.45 115.31 117.98 1u6m h LEU 42 Ca 0.32 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 58.13 1u6m h LEU 42 Cb -0.04 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.66 1u6m h LEU 42 CO -0.08 0.22 -0.12 -0.07 0.09 0.00 0.00 178.44 178.47 1u6m h LEU 43 N -0.78 -0.52 -0.65 1.67 3.38 -1.14 -1.35 115.31 115.92 1u6m h LEU 43 Ca -0.03 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1u6m h LEU 43 Cb 0.51 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1u6m h LEU 43 CO 0.05 -0.19 0.37 0.00 0.09 0.00 0.00 178.44 178.76 1u6m h ALA 44 N 1.60 0.84 -0.82 1.53 0.00 -0.86 -0.57 119.26 120.98 1u6m h ALA 44 Ca 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1u6m h ALA 44 Cb 0.47 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1u6m h ALA 44 CO -0.61 0.33 0.43 1.49 0.00 0.00 0.00 179.25 180.89 1u6m h GLU 45 N 0.89 1.15 -0.15 0.00 4.81 -0.96 -3.00 114.58 117.32 1u6m h GLU 45 Ca 0.23 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 1u6m h GLU 45 Cb 0.01 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1u6m h GLU 45 CO -0.04 0.86 -0.37 0.00 -0.73 0.00 0.00 179.01 178.73 1u6m h ALA 46 N 1.32 1.08 -1.57 2.92 0.00 0.01 -2.91 119.26 120.11 1u6m h ALA 46 Ca 0.29 -0.40 0.46 0.00 0.00 0.00 0.00 54.91 55.26 1u6m h ALA 46 Cb 0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1u6m h ALA 46 CO -0.04 0.58 1.12 1.15 0.00 0.00 0.00 179.25 182.06 1u6m h THR 47 N 0.28 0.20 0.00 0.00 2.02 -1.14 -1.10 112.91 113.17 1u6m h THR 47 Ca 0.03 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1u6m h THR 47 Cb 0.79 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1u6m h THR 47 CO 0.06 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.95 1u6m h ALA 48 N 1.23 1.00 -2.24 6.16 0.00 -1.58 -1.33 119.26 122.50 1u6m h ALA 48 Ca 0.76 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 55.11 1u6m h ALA 48 Cb 2.99 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 20.74 1u6m h ALA 48 CO -0.03 0.00 0.62 0.71 0.00 0.00 0.00 179.25 180.54 1u6m s TYR 49 N -3.21 3.45 0.33 0.00 1.51 -0.42 -4.92 117.35 114.10 1u6m s TYR 49 Ca 0.08 1.53 0.11 0.00 -1.01 0.00 0.00 57.07 57.78 1u6m s TYR 49 Cb 0.10 -3.23 0.92 0.00 -0.11 0.00 0.00 41.96 39.64 1u6m s TYR 49 CO 0.59 -0.38 1.74 -1.35 -1.11 0.00 0.00 175.55 175.03 1u6m h PRO 50 N 7.19 0.54 -0.00 -1.71 0.11 -1.87 -2.12 132.00 134.14 1u6m h PRO 50 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1u6m h PRO 50 Cb 1.14 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1u6m h PRO 50 CO 0.88 0.36 -0.50 0.25 -0.21 0.00 0.00 178.00 178.78 1u6m n THR 51 N -4.84 0.00 -1.87 -1.15 -2.24 -1.26 -4.67 114.28 98.25 1u6m n THR 51 Ca 0.27 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.58 1u6m n THR 51 Cb 0.77 0.52 0.01 0.00 -2.10 0.00 0.00 70.33 69.53 1u6m n THR 51 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1u6m s TYR 52 N -2.78 2.56 0.24 4.78 5.04 -0.80 -4.38 117.35 122.00 1u6m s TYR 52 Ca 0.16 1.30 -0.05 0.00 -2.44 0.00 0.00 57.07 56.03 1u6m s TYR 52 Cb 0.18 -3.86 0.42 0.00 0.35 0.00 0.00 41.96 39.05 1u6m s TYR 52 CO 0.65 -2.71 1.29 -2.13 -1.34 0.00 0.00 175.55 171.32 1u6m n ARG 53 N -0.09 -0.07 -0.96 4.97 0.63 0.35 -0.21 116.66 121.27 1u6m n ARG 53 Ca 0.05 1.28 -0.09 0.00 -0.92 0.00 0.00 57.85 58.17 1u6m n ARG 53 Cb 0.42 -1.94 0.18 0.00 0.45 0.00 0.00 32.46 31.58 1u6m n ARG 53 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1u6m n TYR 54 N -5.32 1.50 -1.77 -0.14 4.01 -1.26 -4.76 117.16 109.41 1u6m n TYR 54 Ca 0.14 -1.75 -0.40 0.00 -0.16 0.00 0.00 57.90 55.73 1u6m n TYR 54 Cb 0.45 -0.58 0.02 0.00 -0.31 0.00 0.00 39.34 38.92 1u6m n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1u6m s GLY 55 N -2.45 2.92 0.46 2.72 0.00 0.70 -4.48 107.32 107.19 1u6m s GLY 55 Ca 0.47 1.50 0.21 0.00 0.00 0.00 0.00 44.72 46.90 1u6m s GLY 55 CO 0.01 2.13 1.90 0.10 0.00 0.00 0.00 173.10 177.24 1u6m h TYR 56 N 2.37 0.34 0.00 1.90 -0.00 -1.49 -0.51 116.97 119.59 1u6m h TYR 56 Ca -0.51 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.23 1u6m h TYR 56 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 36.73 37.89 1u6m h TYR 56 CO 0.50 0.10 0.00 1.04 -0.00 0.00 0.00 178.16 179.81 1u6m n GLN 57 N -4.44 0.14 0.00 0.10 6.02 -1.26 -1.61 117.38 116.34 1u6m n GLN 57 Ca 0.16 0.45 0.12 0.00 -0.01 0.00 0.00 57.00 57.72 1u6m n GLN 57 Cb 0.69 -1.81 0.12 0.00 1.02 0.00 0.00 30.24 30.26 1u6m n GLN 57 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1u6m n ARG 58 N -2.08 2.04 -5.01 -1.09 1.74 -0.20 -4.98 116.66 107.08 1u6m n ARG 58 Ca 0.01 -1.66 -0.32 0.00 -0.77 0.00 0.00 57.85 55.12 1u6m n ARG 58 Cb 0.16 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 29.99 1u6m n ARG 58 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1u6m s ILE 59 N -2.10 2.67 -0.14 0.55 1.01 -0.63 -3.02 121.20 119.54 1u6m s ILE 59 Ca 0.27 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 1u6m s ILE 59 Cb 0.20 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1u6m s ILE 59 CO 0.36 0.57 0.05 -0.22 0.00 0.00 0.00 174.94 175.69 1u6m s LEU 60 N -0.30 3.78 -0.09 2.97 2.96 0.04 -0.51 118.68 127.52 1u6m s LEU 60 Ca 0.02 0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1u6m s LEU 60 Cb -0.13 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1u6m s LEU 60 CO 0.03 0.27 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.63 1u6m s VAL 61 N -0.23 4.21 -0.34 1.68 1.01 0.22 -1.09 120.40 125.88 1u6m s VAL 61 Ca 0.07 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1u6m s VAL 61 Cb -0.12 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1u6m s VAL 61 CO 0.02 0.59 0.21 -0.47 0.00 0.00 0.00 175.10 175.44 1u6m s TYR 62 N -0.71 3.21 -0.30 5.22 6.14 0.01 -1.95 117.35 128.98 1u6m s TYR 62 Ca 0.11 -0.45 -0.14 0.00 0.64 0.00 0.00 57.07 57.23 1u6m s TYR 62 Cb -0.12 -2.43 -0.03 0.00 0.42 0.00 0.00 41.96 39.80 1u6m s TYR 62 CO 0.02 -0.44 0.30 -2.00 0.64 0.00 0.00 175.55 174.07 1u6m s GLU 63 N 1.66 3.83 -0.13 4.97 2.12 0.46 -0.69 118.70 130.92 1u6m s GLU 63 Ca 0.05 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.14 1u6m s GLU 63 Cb -0.18 -3.71 -0.00 0.00 0.26 0.00 0.00 34.13 30.50 1u6m s GLU 63 CO 0.08 -0.33 -0.20 -1.58 -0.54 0.00 0.00 175.26 172.70 1u6m s HIS 64 N 1.93 2.68 -1.39 5.30 5.65 0.46 -1.09 115.29 128.83 1u6m s HIS 64 Ca 0.11 -1.04 -0.04 0.00 0.25 0.00 0.00 55.06 54.33 1u6m s HIS 64 Cb -0.16 -1.79 0.03 0.00 -1.18 0.00 0.00 32.58 29.47 1u6m s HIS 64 CO 0.11 -0.44 0.77 0.00 -0.65 0.00 0.00 174.74 174.53 1u6m n ALA 65 N 3.76 -1.78 -3.74 1.58 0.00 -1.26 -1.79 120.51 117.27 1u6m n ALA 65 Ca -0.19 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 1u6m n ALA 65 Cb 0.52 -2.73 -0.00 0.00 0.00 0.00 0.00 19.45 17.24 1u6m n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6m n GLY 66 N -1.64 -0.48 2.91 0.00 0.00 -1.26 -4.99 105.19 99.73 1u6m n GLY 66 Ca -0.19 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1u6m n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u6m s GLU 67 N -6.43 0.09 -0.27 1.61 2.12 -0.74 -5.11 118.70 109.97 1u6m s GLU 67 Ca 0.57 -0.09 -0.28 0.00 0.36 0.00 0.00 54.97 55.53 1u6m s GLU 67 Cb -0.30 0.03 -0.06 0.00 0.26 0.00 0.00 34.13 34.07 1u6m s GLU 67 CO 0.70 -0.01 2.26 0.28 -0.54 0.00 0.00 175.26 177.94 1u6m n VAL 68 N 2.77 0.27 -0.02 3.70 0.31 -1.26 -0.40 118.33 123.70 1u6m n VAL 68 Ca -0.14 -0.50 0.07 0.00 -0.01 0.00 0.00 64.34 63.75 1u6m n VAL 68 Cb 0.59 -2.54 -0.14 0.00 -0.91 0.00 0.00 33.84 30.83 1u6m n VAL 68 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u6m n ALA 69 N 12.24 2.53 -3.57 3.52 0.00 0.14 -4.86 120.51 130.51 1u6m n ALA 69 Ca 0.32 -0.55 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 1u6m n ALA 69 Cb 0.45 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 1u6m n ALA 69 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u6m s GLY 70 N -4.31 -0.29 0.04 0.00 0.00 -1.21 0.08 107.32 101.62 1u6m s GLY 70 Ca -0.07 1.72 0.03 0.00 0.00 0.00 0.00 44.72 46.39 1u6m s GLY 70 CO 0.77 0.72 -0.08 -0.26 0.00 0.00 0.00 173.10 174.24 1u6m s ILE 71 N -2.00 0.61 -0.11 0.90 -4.36 0.19 -0.81 121.20 115.62 1u6m s ILE 71 Ca 0.04 -1.01 0.03 0.00 -0.26 0.00 0.00 60.65 59.45 1u6m s ILE 71 Cb -0.01 -0.65 0.00 0.00 1.25 0.00 0.00 42.46 43.06 1u6m s ILE 71 CO -0.04 -0.30 -0.22 0.00 0.24 0.00 0.00 174.94 174.62 1u6m s ALA 72 N -1.22 2.24 -0.06 2.27 0.00 -0.25 -1.03 121.76 123.71 1u6m s ALA 72 Ca -0.07 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1u6m s ALA 72 Cb -0.09 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.14 1u6m s ALA 72 CO 0.01 0.22 -0.14 0.08 0.00 0.00 0.00 175.76 175.92 1u6m s VAL 73 N 0.44 1.26 0.15 0.00 1.01 0.35 -0.78 120.40 122.83 1u6m s VAL 73 Ca -0.16 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.01 1u6m s VAL 73 Cb -0.17 -1.12 0.08 0.00 0.00 0.00 0.00 36.38 35.16 1u6m s VAL 73 CO 0.06 0.38 1.05 -0.83 0.00 0.00 0.00 175.10 175.76 1u6m s GLY 74 N 0.46 -0.03 -0.01 4.51 0.00 -1.17 -0.35 107.32 110.72 1u6m s GLY 74 Ca -0.12 -0.12 -0.28 0.00 0.00 0.00 0.00 44.72 44.20 1u6m s GLY 74 CO 0.04 1.75 0.78 -2.52 0.00 0.00 0.00 173.10 173.14 1u6m s TYR 75 N -2.48 -0.49 0.23 1.90 -0.85 -0.46 -4.79 117.35 110.41 1u6m s TYR 75 Ca 0.19 0.60 -0.31 0.00 -0.52 0.00 0.00 57.07 57.04 1u6m s TYR 75 Cb -0.02 0.49 -0.14 0.00 0.38 0.00 0.00 41.96 42.67 1u6m s TYR 75 CO 0.03 -0.59 1.21 -2.30 -1.52 0.00 0.00 175.55 172.38 1u6m n PRO 76 N 0.28 1.52 -0.29 -3.49 -0.02 -1.26 0.01 135.00 131.74 1u6m n PRO 76 Ca -0.14 0.54 0.22 0.00 -2.02 0.00 0.00 63.50 62.10 1u6m n PRO 76 Cb 0.60 -2.06 0.53 0.00 -0.02 0.00 0.00 33.50 32.55 1u6m n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u6m h ALA 77 N 3.25 2.29 0.00 3.55 0.00 -1.63 -1.47 119.26 125.25 1u6m h ALA 77 Ca -0.43 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1u6m h ALA 77 Cb 1.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1u6m h ALA 77 CO 0.69 -0.64 0.00 -0.85 0.00 0.00 0.00 179.25 178.45 1u6m n GLU 78 N -4.55 0.02 0.00 0.00 0.00 -1.26 -2.57 120.64 112.27 1u6m n GLU 78 Ca 0.23 0.36 0.13 0.00 0.00 0.00 0.00 57.16 57.88 1u6m n GLU 78 Cb 0.83 -1.54 0.44 0.00 0.00 0.00 0.00 31.44 31.17 1u6m n GLU 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1u6m n ASP 79 N -1.57 1.22 0.28 -1.84 8.00 -0.55 -4.48 116.55 117.62 1u6m n ASP 79 Ca 0.02 -1.14 0.15 0.00 0.71 0.00 0.00 54.79 54.53 1u6m n ASP 79 Cb 0.11 0.08 0.82 0.00 -0.02 0.00 0.00 41.12 42.11 1u6m n ASP 79 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1u6m h GLU 80 N 1.69 0.00 0.00 -1.24 4.81 -1.67 -2.61 114.58 115.56 1u6m h GLU 80 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1u6m h GLU 80 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1u6m h GLU 80 CO 0.00 0.07 -0.86 1.63 -0.73 0.00 0.00 179.01 179.12 1u6m n LYS 81 N -3.60 0.32 0.00 1.92 4.01 -1.26 -4.16 118.16 115.38 1u6m n LYS 81 Ca -0.02 0.04 0.10 0.00 -0.51 0.00 0.00 58.31 57.92 1u6m n LYS 81 Cb 0.18 -1.65 0.06 0.00 -0.51 0.00 0.00 35.03 33.12 1u6m n LYS 81 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1u6m n ILE 82 N -2.08 0.00 0.13 -0.18 -6.64 -0.99 -4.73 119.36 104.87 1u6m n ILE 82 Ca 0.02 -0.46 0.01 0.00 -1.77 0.00 0.00 62.75 60.55 1u6m n ILE 82 Cb 0.45 1.37 0.05 0.00 -1.44 0.00 0.00 39.64 40.06 1u6m n ILE 82 CO 0.00 0.00 0.00 0.16 -1.77 0.00 0.00 176.55 174.94 1u6m h ILE 83 N 3.48 1.05 0.00 7.28 3.07 -1.70 -3.25 117.51 127.44 1u6m h ILE 83 Ca 0.00 -2.36 0.00 0.00 1.55 0.00 0.00 64.86 64.05 1u6m h ILE 83 Cb 0.78 2.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.76 1u6m h ILE 83 CO 0.00 0.58 -0.81 0.47 -1.05 0.00 0.00 178.15 177.34 1u6m n ASP 84 N -3.31 0.63 -0.05 2.16 8.00 -1.26 -0.50 116.55 122.23 1u6m n ASP 84 Ca 0.01 -0.12 -0.08 0.00 0.71 0.00 0.00 54.79 55.31 1u6m n ASP 84 Cb 0.74 0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 42.32 1u6m n ASP 84 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1u6m h GLU 85 N 0.00 -0.26 -0.95 -1.24 5.08 -1.88 -2.17 114.58 113.15 1u6m h GLU 85 Ca 0.00 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.64 1u6m h GLU 85 Cb 0.69 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.87 1u6m h GLU 85 CO 0.00 -0.18 0.47 -1.35 -1.00 0.00 0.00 179.01 176.95 1u6m h PRO 86 N -0.27 0.38 -0.52 2.33 0.11 -1.80 -1.39 132.00 130.83 1u6m h PRO 86 Ca 0.14 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 1u6m h PRO 86 Cb 0.49 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1u6m h PRO 86 CO -0.41 0.25 -0.15 1.25 -0.21 0.00 0.00 178.00 178.73 1u6m h LEU 87 N 0.39 1.01 -1.09 2.35 6.46 -1.69 -1.50 115.31 121.24 1u6m h LEU 87 Ca 0.63 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1u6m h LEU 87 Cb 1.30 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.91 1u6m h LEU 87 CO -0.56 1.14 0.59 0.03 -0.62 0.00 0.00 178.44 179.03 1u6m h ARG 88 N 0.88 1.20 -0.35 1.25 3.08 -1.06 -0.43 114.38 118.96 1u6m h ARG 88 Ca 0.13 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1u6m h ARG 88 Cb 0.72 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1u6m h ARG 88 CO 0.05 0.80 0.16 0.93 -1.07 0.00 0.00 179.97 180.84 1u6m h GLU 89 N 1.23 0.51 -0.06 0.04 5.08 -1.07 -1.09 114.58 119.22 1u6m h GLU 89 Ca 0.33 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1u6m h GLU 89 Cb -0.13 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 1u6m h GLU 89 CO -0.07 0.47 0.04 0.28 -1.00 0.00 0.00 179.01 178.73 1u6m h VAL 90 N 0.42 1.07 -0.44 3.13 2.07 -1.10 -1.82 116.25 119.58 1u6m h VAL 90 Ca 0.12 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1u6m h VAL 90 Cb 0.14 1.08 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 1u6m h VAL 90 CO -0.01 0.06 -0.21 -0.26 0.02 0.00 0.00 177.57 177.16 1u6m h PHE 91 N 0.02 -0.54 -0.30 1.57 -1.00 -0.98 -2.55 116.94 113.16 1u6m h PHE 91 Ca 0.02 0.05 0.03 0.00 2.81 0.00 0.00 57.97 60.89 1u6m h PHE 91 Cb 0.06 0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 1u6m h PHE 91 CO -0.05 -0.30 0.09 -0.22 -1.61 0.00 0.00 178.31 176.23 1u6m h LYS 92 N -0.13 0.21 -1.14 1.51 3.64 -1.04 -1.01 116.57 118.62 1u6m h LYS 92 Ca 0.21 -0.01 0.32 0.00 -1.27 0.00 0.00 60.65 59.90 1u6m h LYS 92 Cb 0.45 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.12 1u6m h LYS 92 CO -0.52 0.14 0.74 0.87 -2.27 0.00 0.00 179.45 178.41 1u6m h LYS 93 N 0.22 0.26 -0.66 1.90 1.57 -1.24 -2.31 116.57 116.31 1u6m h LYS 93 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1u6m h LYS 93 Cb 0.11 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1u6m h LYS 93 CO -0.14 0.17 0.00 0.72 -0.57 0.00 0.00 179.45 179.63 1u6m n HIS 94 N -4.61 1.49 -1.10 -1.35 8.25 -0.70 -4.96 115.22 112.24 1u6m n HIS 94 Ca 0.29 -0.61 -0.04 0.00 -0.26 0.00 0.00 57.72 57.11 1u6m n HIS 94 Cb 1.07 -0.24 -0.02 0.00 1.12 0.00 0.00 29.99 31.93 1u6m n HIS 94 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u6m n GLY 95 N 1.18 0.64 3.96 -1.41 0.00 -0.87 -5.04 105.19 103.65 1u6m n GLY 95 Ca 0.26 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1u6m n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u6m s LEU 96 N -0.81 4.27 0.18 0.99 2.01 -0.47 -5.00 118.68 119.85 1u6m s LEU 96 Ca 0.00 0.17 -0.31 0.00 0.01 0.00 0.00 54.13 53.99 1u6m s LEU 96 Cb 0.00 -2.96 -0.11 0.00 0.01 0.00 0.00 46.19 43.13 1u6m s LEU 96 CO 0.00 -0.08 1.59 0.00 1.01 0.00 0.00 176.35 178.87 1u6m s ALA 97 N -1.98 3.80 0.10 4.21 0.00 -1.26 -3.89 121.76 122.74 1u6m s ALA 97 Ca 0.35 1.42 0.28 0.00 0.00 0.00 0.00 51.96 54.02 1u6m s ALA 97 Cb -0.10 -3.64 1.07 0.00 0.00 0.00 0.00 23.12 20.46 1u6m s ALA 97 CO 0.30 -0.82 1.88 1.49 0.00 0.00 0.00 175.76 178.61 1u6m h GLU 98 N 6.60 0.00 -1.03 0.00 4.81 -1.91 -3.18 114.58 119.88 1u6m h GLU 98 Ca -0.43 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.24 1u6m h GLU 98 Cb 1.20 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 30.30 1u6m h GLU 98 CO 0.91 0.13 0.71 -0.40 -0.73 0.00 0.00 179.01 179.63 1u6m n ASP 99 N -3.26 5.41 -4.60 1.04 5.75 -1.26 -4.74 116.55 114.88 1u6m n ASP 99 Ca 0.00 -3.60 -0.46 0.00 -0.01 0.00 0.00 54.79 50.72 1u6m n ASP 99 Cb 0.38 -0.89 -0.03 0.00 -1.03 0.00 0.00 41.12 39.55 1u6m n ASP 99 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1u6m n VAL 100 N -0.93 1.41 -2.27 2.12 3.14 -1.20 -4.94 118.33 115.65 1u6m n VAL 100 Ca 0.58 -0.35 -0.42 0.00 -2.96 0.00 0.00 64.34 61.18 1u6m n VAL 100 Cb 1.19 -1.05 -0.03 0.00 -1.06 0.00 0.00 33.84 32.89 1u6m n VAL 100 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1u6m s ARG 101 N -0.94 4.34 0.00 1.45 0.52 -1.26 -4.96 118.95 118.10 1u6m s ARG 101 Ca 0.65 1.93 0.00 0.00 -0.52 0.00 0.00 55.73 57.80 1u6m s ARG 101 Cb -0.74 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 31.32 1u6m s ARG 101 CO 0.55 -0.44 0.00 1.28 0.02 0.00 0.00 175.30 176.71 1u6m n LEU 102 N 4.54 0.00 -4.88 2.53 4.77 -1.26 -4.82 117.00 117.88 1u6m n LEU 102 Ca 0.11 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.74 1u6m n LEU 102 Cb 0.44 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1u6m n LEU 102 CO 0.58 0.00 -0.04 -0.36 -1.33 0.00 0.00 177.39 176.24 1u6m s PHE 103 N 3.62 3.59 -0.06 -1.77 0.40 -1.26 -5.06 117.98 117.44 1u6m s PHE 103 Ca 0.00 0.63 -0.30 0.00 -0.60 0.00 0.00 56.93 56.66 1u6m s PHE 103 Cb 0.00 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 1u6m s PHE 103 CO 0.00 0.61 1.32 0.42 0.70 0.00 0.00 175.22 178.27 1u6m s ILE 104 N -1.28 4.01 -0.83 0.64 1.01 -1.26 -4.94 121.20 118.54 1u6m s ILE 104 Ca 0.27 1.33 -0.03 0.00 0.00 0.00 0.00 60.65 62.22 1u6m s ILE 104 Cb -0.13 -3.85 0.24 0.00 0.01 0.00 0.00 42.46 38.72 1u6m s ILE 104 CO 0.15 -0.03 2.24 -0.62 0.00 0.00 0.00 174.94 176.68 1u6m n GLU 105 N 5.68 3.41 -2.37 2.79 1.02 -1.26 -4.65 120.64 125.26 1u6m n GLU 105 Ca 0.13 -3.42 -0.15 0.00 -0.02 0.00 0.00 57.16 53.70 1u6m n GLU 105 Cb 0.45 -2.32 0.03 0.00 -0.02 0.00 0.00 31.44 29.58 1u6m n GLU 105 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1u6m n GLU 106 N 0.21 2.82 -0.00 3.49 1.02 -1.26 -4.87 120.64 122.06 1u6m n GLU 106 Ca 0.52 -3.91 0.02 0.00 -0.02 0.00 0.00 57.16 53.77 1u6m n GLU 106 Cb 0.33 -1.99 -0.02 0.00 -0.02 0.00 0.00 31.44 29.73 1u6m n GLU 106 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1u6m n GLU 107 N -0.63 5.25 -3.50 3.49 0.28 -1.26 -5.03 120.64 119.23 1u6m n GLU 107 Ca 0.29 -0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 57.05 1u6m n GLU 107 Cb 0.89 -0.72 -0.01 0.00 1.43 0.00 0.00 31.44 33.02 1u6m n GLU 107 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1u6m s THR 108 N -1.45 5.09 0.10 3.84 -4.23 -1.26 -4.86 115.64 112.86 1u6m s THR 108 Ca 0.01 -0.59 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 1u6m s THR 108 Cb 0.03 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 1u6m s THR 108 CO 0.17 -0.50 0.01 -0.76 -0.54 0.00 0.00 174.62 173.00 1u6m s LEU 109 N -4.25 3.48 0.55 4.79 1.43 -1.26 -5.12 118.68 118.31 1u6m s LEU 109 Ca 0.39 -0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 53.10 1u6m s LEU 109 Cb -0.09 -2.20 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 1u6m s LEU 109 CO 0.34 0.16 0.96 -2.65 0.23 0.00 0.00 176.35 175.40 1u6m n PRO 110 N 0.46 1.03 -0.80 1.29 -0.02 -1.26 -3.36 135.00 132.35 1u6m n PRO 110 Ca -0.10 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1u6m n PRO 110 Cb 0.52 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1u6m n PRO 110 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1u6m n ASN 111 N -0.33 -0.55 -4.91 2.55 5.03 -1.26 -5.01 115.26 110.77 1u6m n ASN 111 Ca 0.12 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.29 1u6m n ASN 111 Cb 0.45 -1.25 -0.03 0.00 -1.02 0.00 0.00 39.78 37.93 1u6m n ASN 111 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 1u6m s GLU 112 N -0.52 3.60 -0.34 3.52 -1.05 -1.21 -4.12 118.70 118.58 1u6m s GLU 112 Ca 0.00 -0.10 -0.26 0.00 -0.15 0.00 0.00 54.97 54.46 1u6m s GLU 112 Cb 0.00 -2.71 0.01 0.00 -0.44 0.00 0.00 34.13 30.99 1u6m s GLU 112 CO 0.00 0.28 0.94 -0.46 0.95 0.00 0.00 175.26 176.97 1u6m s TRP 113 N -1.99 3.12 -0.16 4.83 -0.00 0.28 -1.81 118.94 123.21 1u6m s TRP 113 Ca 0.42 0.89 -0.18 0.00 -0.00 0.00 0.00 56.10 57.23 1u6m s TRP 113 Cb -0.11 -3.57 -0.04 0.00 -0.00 0.00 0.00 33.47 29.76 1u6m s TRP 113 CO 0.29 -0.75 0.49 -0.47 -0.00 0.00 0.00 176.95 176.51 1u6m s TYR 114 N 3.41 3.43 -0.52 5.86 6.14 0.10 -0.39 117.35 135.38 1u6m s TYR 114 Ca 0.39 0.81 -0.26 0.00 0.64 0.00 0.00 57.07 58.65 1u6m s TYR 114 Cb -0.12 -2.60 0.03 0.00 0.42 0.00 0.00 41.96 39.68 1u6m s TYR 114 CO 0.16 0.03 1.00 -1.17 0.64 0.00 0.00 175.55 176.21 1u6m s LEU 115 N 1.16 3.90 -0.09 6.97 2.96 0.06 -1.36 118.68 132.28 1u6m s LEU 115 Ca 0.24 -0.03 -0.22 0.00 -0.22 0.00 0.00 54.13 53.90 1u6m s LEU 115 Cb -0.15 -3.08 -0.19 0.00 0.50 0.00 0.00 46.19 43.27 1u6m s LEU 115 CO 0.10 -1.22 0.79 -0.78 -1.32 0.00 0.00 176.35 173.92 1u6m h ASP 116 N 9.27 -0.06 -4.33 3.68 3.58 -1.01 -3.42 116.42 124.12 1u6m h ASP 116 Ca -0.25 -0.59 -0.08 0.00 0.42 0.00 0.00 57.03 56.53 1u6m h ASP 116 Cb 1.07 0.02 -0.21 0.00 1.72 0.00 0.00 39.33 41.92 1u6m h ASP 116 CO 1.09 0.65 -0.04 0.28 -2.88 0.00 0.00 179.24 178.34 1u6m s THR 117 N -2.86 0.01 -0.19 2.25 -1.32 -0.74 -5.00 115.64 107.78 1u6m s THR 117 Ca -0.14 -0.08 -0.01 0.00 -1.21 0.00 0.00 61.69 60.25 1u6m s THR 117 Cb -0.01 -0.80 0.01 0.00 -1.51 0.00 0.00 72.50 70.19 1u6m s THR 117 CO 0.53 -0.04 -0.13 -0.63 -2.21 0.00 0.00 174.62 172.15 1u6m s ILE 118 N -0.28 2.70 -0.09 5.08 1.01 -1.26 -0.50 121.20 127.86 1u6m s ILE 118 Ca -0.04 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1u6m s ILE 118 Cb -0.03 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.26 1u6m s ILE 118 CO 0.03 0.49 -0.17 -0.44 0.00 0.00 0.00 174.94 174.85 1u6m s SER 119 N 1.31 2.38 -0.15 3.58 0.01 -0.19 -4.98 113.70 115.66 1u6m s SER 119 Ca 0.04 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 1u6m s SER 119 Cb -0.14 -1.08 -0.01 0.00 0.21 0.00 0.00 66.02 65.00 1u6m s SER 119 CO -0.07 0.06 -0.12 -0.69 0.41 0.00 0.00 173.24 172.83 1u6m s VAL 120 N 0.70 3.06 0.06 3.43 1.01 -1.26 -0.64 120.40 126.76 1u6m s VAL 120 Ca -0.13 -0.65 -0.38 0.00 0.00 0.00 0.00 61.98 60.83 1u6m s VAL 120 Cb -0.16 -2.30 -0.18 0.00 0.00 0.00 0.00 36.38 33.74 1u6m s VAL 120 CO 0.03 0.51 1.25 -0.67 0.00 0.00 0.00 175.10 176.22 1u6m n ASP 121 N 3.78 1.11 -0.24 3.32 -0.08 0.11 -4.88 116.55 119.67 1u6m n ASP 121 Ca -0.18 1.13 0.18 0.00 -1.51 0.00 0.00 54.79 54.41 1u6m n ASP 121 Cb 0.52 -1.10 0.50 0.00 2.34 0.00 0.00 41.12 43.38 1u6m n ASP 121 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1u6m h GLU 122 N 4.05 0.42 0.00 -0.67 -0.00 -1.98 0.15 114.58 116.54 1u6m h GLU 122 Ca -0.49 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.85 1u6m h GLU 122 Cb 1.37 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 30.02 1u6m h GLU 122 CO 0.74 0.27 0.00 0.54 -0.00 0.00 0.00 179.01 180.56 1u6m n ARG 123 N -4.52 0.16 -0.76 1.06 1.74 -1.26 -3.45 116.66 109.62 1u6m n ARG 123 Ca 0.19 0.51 0.05 0.00 -0.77 0.00 0.00 57.85 57.83 1u6m n ARG 123 Cb 0.68 -1.89 0.18 0.00 -1.02 0.00 0.00 32.46 30.41 1u6m n ARG 123 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1u6m n PHE 124 N -2.20 0.07 -2.60 -1.55 3.72 0.52 -5.05 117.46 110.38 1u6m n PHE 124 Ca 0.01 -1.38 -0.34 0.00 -0.05 0.00 0.00 57.45 55.68 1u6m n PHE 124 Cb 0.14 -0.24 -0.04 0.00 -0.94 0.00 0.00 39.48 38.40 1u6m n PHE 124 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1u6m s ARG 125 N -2.81 3.93 0.00 -1.08 1.81 -1.21 -3.88 118.95 115.70 1u6m s ARG 125 Ca 0.38 1.33 0.00 0.00 -1.72 0.00 0.00 55.73 55.72 1u6m s ARG 125 Cb 0.37 -2.17 0.00 0.00 -0.45 0.00 0.00 34.95 32.71 1u6m s ARG 125 CO -0.08 -0.32 0.00 0.41 -0.68 0.00 0.00 175.30 174.63 1u6m n GLY 126 N -0.25 0.69 0.96 -3.53 0.00 -1.26 -4.93 105.19 96.88 1u6m n GLY 126 Ca 0.08 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1u6m n GLY 126 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1u6m n MET 127 N -2.61 3.13 -0.96 1.61 2.81 -1.25 -5.00 117.12 114.86 1u6m n MET 127 Ca 0.00 -2.65 0.00 0.00 -1.81 0.00 0.00 57.70 53.24 1u6m n MET 127 Cb 0.00 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 30.79 1u6m n MET 127 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u6m n GLY 128 N 0.03 0.69 0.23 3.03 0.00 -1.26 -4.94 105.19 102.96 1u6m n GLY 128 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1u6m n GLY 128 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1u6m h ILE 129 N 0.00 1.28 -0.85 -0.61 2.04 -1.94 -1.88 117.51 115.56 1u6m h ILE 129 Ca 0.00 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1u6m h ILE 129 Cb 0.06 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1u6m h ILE 129 CO 0.00 0.42 0.49 1.23 0.00 0.00 0.00 178.15 180.29 1u6m h GLY 130 N 0.54 1.24 1.76 5.37 0.00 -1.95 -0.10 103.07 109.93 1u6m h GLY 130 Ca 0.08 -0.53 -0.23 0.00 0.00 0.00 0.00 47.33 46.65 1u6m h GLY 130 CO 0.05 0.51 -1.06 0.23 0.00 0.00 0.00 176.54 176.27 1u6m h SER 131 N 1.17 0.28 -0.03 0.19 0.87 -1.95 -1.73 113.55 112.36 1u6m h SER 131 Ca 0.30 -0.27 -0.14 0.00 -1.23 0.00 0.00 61.79 60.45 1u6m h SER 131 Cb -0.02 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1u6m h SER 131 CO -0.05 1.16 -0.43 0.11 -0.53 0.00 0.00 176.83 177.09 1u6m h LYS 132 N 0.07 0.56 -0.70 2.24 1.57 -0.95 -2.34 116.57 117.03 1u6m h LYS 132 Ca -0.07 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1u6m h LYS 132 Cb 1.76 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 34.05 1u6m h LYS 132 CO 0.16 0.88 0.40 -0.07 -0.57 0.00 0.00 179.45 180.25 1u6m h LEU 133 N 0.46 0.85 -0.76 2.94 3.38 -0.89 -2.96 115.31 118.33 1u6m h LEU 133 Ca 0.04 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1u6m h LEU 133 Cb 0.93 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1u6m h LEU 133 CO 0.08 0.68 0.26 0.25 0.09 0.00 0.00 178.44 179.81 1u6m h LEU 134 N 0.95 1.08 -2.23 1.67 5.85 -1.25 -2.19 115.31 119.19 1u6m h LEU 134 Ca 0.25 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1u6m h LEU 134 Cb 0.01 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1u6m h LEU 134 CO -0.04 0.99 0.14 0.44 -0.34 0.00 0.00 178.44 179.63 1u6m h ASP 135 N 1.12 0.00 0.51 1.25 3.32 -1.25 -2.51 116.42 118.85 1u6m h ASP 135 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1u6m h ASP 135 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1u6m h ASP 135 CO -0.01 0.00 -0.38 0.00 -1.72 0.00 0.00 179.24 177.13 1u6m n ALA 136 N -2.39 3.28 0.08 3.45 0.00 -0.83 -4.41 120.51 119.69 1u6m n ALA 136 Ca 0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.06 1u6m n ALA 136 Cb 0.26 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 1u6m n ALA 136 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1u6m h LEU 137 N 0.23 0.03 -0.79 0.00 3.38 -1.40 -3.32 115.31 113.44 1u6m h LEU 137 Ca 0.00 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.05 1u6m h LEU 137 Cb 0.49 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 1u6m h LEU 137 CO 0.00 0.92 0.42 -0.65 0.09 0.00 0.00 178.44 179.22 1u6m h PRO 138 N 0.01 0.65 -0.55 1.13 0.11 -1.77 -1.07 132.00 130.50 1u6m h PRO 138 Ca -0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1u6m h PRO 138 Cb 1.60 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.53 1u6m h PRO 138 CO 0.12 0.43 0.30 0.93 -0.21 0.00 0.00 178.00 179.58 1u6m h GLU 139 N 0.67 0.76 0.33 1.05 3.07 -1.89 0.36 114.58 118.93 1u6m h GLU 139 Ca 0.40 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.17 1u6m h GLU 139 Cb 0.45 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1u6m h GLU 139 CO -0.29 0.56 -0.16 0.28 -1.40 0.00 0.00 179.01 178.00 1u6m h VAL 140 N 0.77 0.69 -0.15 3.13 2.07 -1.46 -0.01 116.25 121.28 1u6m h VAL 140 Ca 0.20 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1u6m h VAL 140 Cb 0.02 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1u6m h VAL 140 CO -0.03 0.06 -0.45 0.00 0.02 0.00 0.00 177.57 177.17 1u6m h ALA 141 N -0.02 -0.66 -0.22 1.67 0.00 -1.01 -2.85 119.26 116.17 1u6m h ALA 141 Ca -0.05 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1u6m h ALA 141 Cb 0.45 0.85 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1u6m h ALA 141 CO 0.08 -0.96 -0.32 -0.22 0.00 0.00 0.00 179.25 177.82 1u6m h LYS 142 N -0.50 -0.33 0.00 0.00 3.64 -0.88 0.31 116.57 118.80 1u6m h LYS 142 Ca 0.07 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1u6m h LYS 142 Cb 0.64 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1u6m h LYS 142 CO -0.42 -0.22 0.01 0.00 -2.27 0.00 0.00 179.45 176.54 1u6m n ALA 143 N -2.89 1.25 0.77 5.00 0.00 -0.02 -0.07 120.51 124.54 1u6m n ALA 143 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1u6m n ALA 143 Cb 0.33 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.87 1u6m n ALA 143 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u6m n SER 144 N -1.19 2.37 -0.42 0.00 2.88 0.11 -4.95 113.62 112.43 1u6m n SER 144 Ca 0.00 -1.69 -0.05 0.00 -1.33 0.00 0.00 58.87 55.80 1u6m n SER 144 Cb 0.01 0.09 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 1u6m n SER 144 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u6m n GLY 145 N 1.07 0.79 3.89 0.46 0.00 0.89 -5.04 105.19 107.26 1u6m n GLY 145 Ca 0.10 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1u6m n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u6m s LYS 146 N -2.22 3.39 0.00 1.61 -0.14 -1.12 -5.00 119.74 116.26 1u6m s LYS 146 Ca 0.00 -0.35 0.16 0.00 -1.36 0.00 0.00 55.97 54.42 1u6m s LYS 146 Cb 0.00 -3.06 0.12 0.00 -1.68 0.00 0.00 37.83 33.21 1u6m s LYS 146 CO 0.00 0.67 1.01 1.04 -0.76 0.00 0.00 175.35 177.31 1u6m n GLN 147 N 0.94 1.29 -4.10 1.68 6.02 -1.26 -3.99 117.38 117.96 1u6m n GLN 147 Ca -0.11 -1.44 -0.14 0.00 -0.01 0.00 0.00 57.00 55.29 1u6m n GLN 147 Cb 0.52 -1.31 -0.13 0.00 1.02 0.00 0.00 30.24 30.34 1u6m n GLN 147 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u6m s ALA 148 N -1.38 0.43 -0.15 -1.58 0.00 -1.26 -0.54 121.76 117.28 1u6m s ALA 148 Ca 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 1u6m s ALA 148 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1u6m s ALA 148 CO 0.21 0.05 -0.14 -1.17 0.00 0.00 0.00 175.76 174.71 1u6m s LEU 149 N -0.62 2.56 0.27 0.00 0.20 -0.52 -0.56 118.68 120.01 1u6m s LEU 149 Ca -0.03 -0.43 0.05 0.00 0.69 0.00 0.00 54.13 54.42 1u6m s LEU 149 Cb -0.05 -1.58 -0.06 0.00 -0.43 0.00 0.00 46.19 44.07 1u6m s LEU 149 CO -0.00 0.10 -0.03 -0.83 -0.29 0.00 0.00 176.35 175.30 1u6m s GLY 150 N 0.72 1.80 0.18 7.98 0.00 0.47 -1.01 107.32 117.45 1u6m s GLY 150 Ca -0.06 -1.89 -0.23 0.00 0.00 0.00 0.00 44.72 42.53 1u6m s GLY 150 CO 0.02 -1.80 0.67 0.48 0.00 0.00 0.00 173.10 172.47 1u6m s LEU 151 N -3.42 -0.45 -0.06 0.66 0.05 -0.55 -0.76 118.68 114.14 1u6m s LEU 151 Ca 0.30 -0.18 0.05 0.00 0.05 0.00 0.00 54.13 54.35 1u6m s LEU 151 Cb 0.05 2.56 -0.02 0.00 -2.05 0.00 0.00 46.19 46.74 1u6m s LEU 151 CO 0.12 -1.04 -0.20 0.20 -0.55 0.00 0.00 176.35 174.88 1u6m s ASN 152 N -2.78 3.50 -0.10 1.48 0.01 -1.26 -1.18 114.94 114.62 1u6m s ASN 152 Ca 0.04 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 51.84 1u6m s ASN 152 Cb -0.02 -0.90 0.01 0.00 0.41 0.00 0.00 41.25 40.74 1u6m s ASN 152 CO -0.07 0.27 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.90 1u6m s VAL 153 N -0.31 1.78 0.20 1.60 1.01 -0.39 -4.96 120.40 119.34 1u6m s VAL 153 Ca 0.01 -0.85 -0.33 0.00 0.00 0.00 0.00 61.98 60.82 1u6m s VAL 153 Cb -0.13 -1.57 -0.13 0.00 0.00 0.00 0.00 36.38 34.55 1u6m s VAL 153 CO 0.02 0.50 1.55 -0.67 0.00 0.00 0.00 175.10 176.50 1u6m n ASP 154 N 3.74 3.16 -0.49 3.32 -0.08 -1.26 -0.49 116.55 124.44 1u6m n ASP 154 Ca -0.20 1.10 0.42 0.00 -1.51 0.00 0.00 54.79 54.60 1u6m n ASP 154 Cb 0.52 -1.46 0.74 0.00 2.34 0.00 0.00 41.12 43.27 1u6m n ASP 154 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1u6m h PHE 155 N 5.47 0.16 -0.45 -0.67 0.05 -1.67 0.20 116.94 120.04 1u6m h PHE 155 Ca -0.45 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.33 1u6m h PHE 155 Cb 1.25 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 39.15 1u6m h PHE 155 CO 0.61 -0.04 0.02 -0.40 -0.18 0.00 0.00 178.31 178.32 1u6m n ASP 156 N -4.24 4.52 -3.23 2.17 5.68 -1.26 -4.29 116.55 115.90 1u6m n ASP 156 Ca 0.35 -2.73 -0.25 0.00 -0.50 0.00 0.00 54.79 51.67 1u6m n ASP 156 Cb 1.55 -0.65 -0.06 0.00 -1.14 0.00 0.00 41.12 40.82 1u6m n ASP 156 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1u6m n ASN 157 N 0.41 2.61 0.23 -1.12 2.85 0.71 -4.91 115.26 116.04 1u6m n ASN 157 Ca 0.22 -3.24 0.11 0.00 -0.11 0.00 0.00 54.58 51.56 1u6m n ASN 157 Cb 0.99 -0.63 0.43 0.00 1.24 0.00 0.00 39.78 41.80 1u6m n ASN 157 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1u6m h PRO 158 N 3.73 0.00 -0.64 1.20 0.13 -1.77 -2.12 132.00 132.53 1u6m h PRO 158 Ca 0.14 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1u6m h PRO 158 Cb 0.72 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.83 1u6m h PRO 158 CO 0.69 0.17 0.33 0.78 -0.23 0.00 0.00 178.00 179.74 1u6m h GLY 159 N 2.45 0.97 1.07 1.56 0.00 -1.95 -0.57 103.07 106.60 1u6m h GLY 159 Ca -0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.71 1u6m h GLY 159 CO 0.02 0.44 -0.39 0.00 0.00 0.00 0.00 176.54 176.61 1u6m h ALA 160 N 1.15 0.48 -0.89 3.60 0.00 -1.83 -1.84 119.26 119.93 1u6m h ALA 160 Ca 0.22 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1u6m h ALA 160 Cb 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1u6m h ALA 160 CO -0.03 0.58 0.54 -0.09 0.00 0.00 0.00 179.25 180.25 1u6m h ARG 161 N 0.61 1.21 -0.64 0.00 2.43 -1.25 -1.05 114.38 115.69 1u6m h ARG 161 Ca 0.04 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1u6m h ARG 161 Cb 0.99 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1u6m h ARG 161 CO 0.09 0.85 0.42 -0.22 -1.51 0.00 0.00 179.97 179.60 1u6m h LYS 162 N 1.23 0.82 -0.28 0.20 3.11 -0.90 -0.28 116.57 120.47 1u6m h LYS 162 Ca 0.32 -0.05 0.06 0.00 -2.81 0.00 0.00 60.65 58.17 1u6m h LYS 162 Cb -0.05 -0.19 -0.06 0.00 -1.00 0.00 0.00 32.23 30.93 1u6m h LYS 162 CO -0.06 0.55 -0.14 1.25 -2.81 0.00 0.00 179.45 178.24 1u6m h LEU 163 N 0.85 -0.47 -0.28 5.20 6.46 -0.50 -2.04 115.31 124.53 1u6m h LEU 163 Ca 0.24 0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 58.03 1u6m h LEU 163 Cb -0.08 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1u6m h LEU 163 CO -0.06 -0.17 -0.13 1.88 -0.62 0.00 0.00 178.44 179.33 1u6m h TYR 164 N -0.10 0.66 -0.89 1.25 0.99 -0.97 -2.63 116.97 115.28 1u6m h TYR 164 Ca 0.15 -0.16 0.24 0.00 2.00 0.00 0.00 58.73 60.95 1u6m h TYR 164 Cb 0.33 -0.15 -0.15 0.00 1.00 0.00 0.00 36.73 37.75 1u6m h TYR 164 CO -0.33 0.82 0.13 0.00 -0.00 0.00 0.00 178.16 178.78 1u6m h ALA 165 N 0.74 1.17 0.00 3.88 0.00 -0.98 -0.49 119.26 123.58 1u6m h ALA 165 Ca 0.06 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1u6m h ALA 165 Cb 0.65 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1u6m h ALA 165 CO 0.04 -0.51 0.00 -1.13 0.00 0.00 0.00 179.25 177.65 1u6m n SER 166 N -5.34 0.12 -0.84 0.00 3.41 -0.77 -1.70 113.62 108.50 1u6m n SER 166 Ca 0.21 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.43 1u6m n SER 166 Cb 0.69 -0.55 0.13 0.00 -0.26 0.00 0.00 64.21 64.22 1u6m n SER 166 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1u6m n LYS 167 N -1.62 1.94 0.00 4.33 4.01 -0.33 -4.95 118.16 121.54 1u6m n LYS 167 Ca 0.05 -1.85 0.00 0.00 -0.51 0.00 0.00 58.31 56.00 1u6m n LYS 167 Cb 0.27 -1.38 0.00 0.00 -0.51 0.00 0.00 35.03 33.41 1u6m n LYS 167 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1u6m n GLY 168 N 1.09 0.90 3.77 0.72 0.00 -0.69 -5.08 105.19 105.90 1u6m n GLY 168 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1u6m n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u6m s PHE 169 N -2.00 3.66 -0.04 1.61 0.40 -0.41 -4.54 117.98 116.66 1u6m s PHE 169 Ca 0.00 1.77 0.03 0.00 -0.60 0.00 0.00 56.93 58.13 1u6m s PHE 169 Cb 0.00 -3.02 0.00 0.00 0.51 0.00 0.00 43.02 40.52 1u6m s PHE 169 CO 0.00 0.01 -0.11 0.15 0.70 0.00 0.00 175.22 175.97 1u6m s LYS 170 N -1.89 1.24 0.20 0.44 -0.14 -0.15 -4.10 119.74 115.34 1u6m s LYS 170 Ca 0.49 -0.38 -0.33 0.00 -1.36 0.00 0.00 55.97 54.40 1u6m s LYS 170 Cb -0.22 -1.11 -0.14 0.00 -1.68 0.00 0.00 37.83 34.68 1u6m s LYS 170 CO 0.28 0.12 1.49 -0.25 -0.76 0.00 0.00 175.35 176.23 1u6m n ASP 171 N 3.37 2.91 0.00 2.83 9.92 -1.26 -1.27 116.55 133.05 1u6m n ASP 171 Ca -0.19 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.18 1u6m n ASP 171 Cb 0.53 -1.42 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 1u6m n ASP 171 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1u6m n VAL 172 N 2.67 0.00 -3.61 2.53 0.31 0.25 -4.89 118.33 115.59 1u6m n VAL 172 Ca 0.14 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.43 1u6m n VAL 172 Cb 0.30 -0.56 -0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1u6m n VAL 172 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1u6m n THR 173 N -2.37 0.00 -4.66 2.52 -1.04 -1.06 -5.01 114.28 102.67 1u6m n THR 173 Ca 0.00 -0.55 -0.24 0.00 -2.04 0.00 0.00 64.05 61.23 1u6m n THR 173 Cb 0.36 0.37 -0.16 0.00 -1.82 0.00 0.00 70.33 69.09 1u6m n THR 173 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1u6m s THR 174 N -2.60 1.17 0.15 12.58 2.01 -1.26 -1.61 115.64 126.08 1u6m s THR 174 Ca 0.09 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.59 1u6m s THR 174 Cb -0.01 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1u6m s THR 174 CO 0.06 0.34 -0.19 -0.04 -0.69 0.00 0.00 174.62 174.11 1u6m s MET 175 N 0.06 1.25 -0.23 4.92 -1.94 -0.13 -4.94 119.30 118.29 1u6m s MET 175 Ca -0.03 -1.37 0.00 0.00 -1.71 0.00 0.00 55.69 52.59 1u6m s MET 175 Cb -0.10 -1.34 0.03 0.00 2.01 0.00 0.00 34.83 35.43 1u6m s MET 175 CO 0.01 0.28 -0.12 0.99 -0.01 0.00 0.00 175.02 176.17 1u6m s THR 176 N -1.90 2.41 -0.11 2.05 2.01 -1.26 0.17 115.64 119.01 1u6m s THR 176 Ca 0.14 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 61.00 1u6m s THR 176 Cb -0.06 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.26 1u6m s THR 176 CO 0.06 0.26 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.49 1u6m s ILE 177 N 1.26 1.36 -1.61 1.82 1.01 0.19 -4.77 121.20 120.45 1u6m s ILE 177 Ca -0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 1u6m s ILE 177 Cb -0.16 -1.27 0.11 0.00 0.01 0.00 0.00 42.46 41.14 1u6m s ILE 177 CO -0.08 0.42 0.67 -1.20 0.00 0.00 0.00 174.94 174.75 1u6m n SER 178 N 4.43 -2.44 0.00 3.58 7.64 -1.26 -1.95 113.62 123.63 1u6m n SER 178 Ca -0.18 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1u6m n SER 178 Cb 0.51 -2.85 0.00 0.00 -1.01 0.00 0.00 64.21 60.86 1u6m n SER 178 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u6m n GLY 179 N -1.61 3.11 3.74 0.23 0.00 -1.26 -5.03 105.19 104.37 1u6m n GLY 179 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1u6m n GLY 179 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u6m s HIS 180 N -1.95 3.69 0.11 1.61 4.02 -0.82 -5.07 115.29 116.88 1u6m s HIS 180 Ca 0.00 1.35 -0.16 0.00 1.02 0.00 0.00 55.06 57.27 1u6m s HIS 180 Cb 0.00 -2.76 -0.07 0.00 -1.02 0.00 0.00 32.58 28.73 1u6m s HIS 180 CO 0.00 0.26 0.55 -0.51 1.02 0.00 0.00 174.74 176.06 1u6m s LEU 181 N 0.09 4.42 0.05 0.89 1.43 -1.26 -0.63 118.68 123.66 1u6m s LEU 181 Ca 0.36 1.15 0.04 0.00 -1.03 0.00 0.00 54.13 54.66 1u6m s LEU 181 Cb -0.19 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 1u6m s LEU 181 CO 0.20 0.18 -0.13 -0.31 0.23 0.00 0.00 176.35 176.53 1u6m s TYR 182 N -1.30 1.10 -0.17 0.29 1.51 0.13 -1.72 117.35 117.18 1u6m s TYR 182 Ca 0.34 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.77 1u6m s TYR 182 Cb -0.17 -0.64 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 1u6m s TYR 182 CO 0.19 0.02 0.72 -0.80 -1.11 0.00 0.00 175.55 174.57 1u6m s ASN 183 N -1.36 6.82 -0.20 2.29 0.01 0.36 -0.96 114.94 121.90 1u6m s ASN 183 Ca -0.01 1.00 -0.17 0.00 -0.71 0.00 0.00 52.86 52.97 1u6m s ASN 183 Cb -0.09 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 1u6m s ASN 183 CO 0.01 -0.31 0.46 -2.28 -1.51 0.00 0.00 177.10 173.47 1u6m s HIS 184 N 1.90 3.37 0.13 2.20 5.65 -0.63 -1.26 115.29 126.65 1u6m s HIS 184 Ca 0.33 0.69 0.11 0.00 0.25 0.00 0.00 55.06 56.44 1u6m s HIS 184 Cb -0.16 -2.60 -0.04 0.00 -1.18 0.00 0.00 32.58 28.60 1u6m s HIS 184 CO 0.12 -0.07 -0.26 -1.64 -0.65 0.00 0.00 174.74 172.24 1u6m s MET 185 N 1.51 1.44 0.08 2.88 1.00 -0.32 -0.58 119.30 125.30 1u6m s MET 185 Ca 0.21 -1.33 0.02 0.00 0.00 0.00 0.00 55.69 54.59 1u6m s MET 185 Cb -0.15 -1.92 -0.03 0.00 0.00 0.00 0.00 34.83 32.73 1u6m s MET 185 CO 0.09 0.45 -0.08 -0.65 0.00 0.00 0.00 175.02 174.84 1u6m s GLN 186 N -2.04 0.72 -0.05 2.03 -0.21 -0.39 -1.48 119.66 118.23 1u6m s GLN 186 Ca 0.14 -1.08 0.02 0.00 0.02 0.00 0.00 55.36 54.46 1u6m s GLN 186 Cb -0.10 -0.29 0.01 0.00 1.00 0.00 0.00 33.01 33.63 1u6m s GLN 186 CO 0.06 0.02 -0.11 0.21 -2.12 0.00 0.00 175.29 173.35 1u6m s LYS 187 N -2.79 1.44 0.43 2.91 2.20 -0.18 -0.98 119.74 122.77 1u6m s LYS 187 Ca 0.02 -0.37 -0.24 0.00 -0.36 0.00 0.00 55.97 55.02 1u6m s LYS 187 Cb -0.02 -1.24 -0.08 0.00 -1.51 0.00 0.00 37.83 34.98 1u6m s LYS 187 CO -0.02 0.06 1.16 -1.21 -0.36 0.00 0.00 175.35 174.98 1u6m s GLU 188 N 0.52 3.90 0.01 4.03 2.02 -1.26 -1.43 118.70 126.49 1u6m s GLU 188 Ca -0.11 1.78 0.05 0.00 0.02 0.00 0.00 54.97 56.72 1u6m s GLU 188 Cb -0.14 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 1u6m s GLU 188 CO 0.02 -0.44 -0.16 0.08 0.02 0.00 0.00 175.26 174.79 1u6m s VAL 189 N -1.50 1.27 -2.00 2.63 1.01 0.29 -4.90 120.40 117.20 1u6m s VAL 189 Ca 0.61 -0.87 0.12 0.00 0.00 0.00 0.00 61.98 61.84 1u6m s VAL 189 Cb -0.29 -1.10 0.34 0.00 0.00 0.00 0.00 36.38 35.33 1u6m s VAL 189 CO 0.36 0.21 1.14 -1.84 0.00 0.00 0.00 175.10 174.97