#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xch s LEU 2 N 0.00 2.31 0.81 0.99 1.02 -1.26 -5.07 118.68 117.48 1xch s LEU 2 Ca 0.00 -0.72 -0.12 0.00 0.02 0.00 0.00 54.13 53.31 1xch s LEU 2 Cb 0.00 -1.06 0.08 0.00 0.02 0.00 0.00 46.19 45.23 1xch s LEU 2 CO 0.00 0.12 1.15 -0.94 0.02 0.00 0.00 176.35 176.70 1xch s SER 3 N -2.00 4.44 0.39 2.29 1.04 -1.26 -4.87 113.70 113.72 1xch s SER 3 Ca 0.11 0.91 0.18 0.00 0.48 0.00 0.00 55.95 57.62 1xch s SER 3 Cb -0.10 -1.49 0.78 0.00 0.10 0.00 0.00 66.02 65.32 1xch s SER 3 CO 0.05 -1.96 1.80 -0.78 0.98 0.00 0.00 173.24 173.34 1xch h ASP 4 N -1.09 0.00 -0.63 7.02 1.82 -2.01 -1.94 116.42 119.59 1xch h ASP 4 Ca -0.47 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.12 1xch h ASP 4 Cb 1.31 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.29 1xch h ASP 4 CO 0.64 0.36 0.21 1.23 -1.61 0.00 0.00 179.24 180.07 1xch h GLY 5 N 1.57 1.07 1.37 -0.78 0.00 -1.99 -0.31 103.07 104.00 1xch h GLY 5 Ca -0.00 -0.60 -0.20 0.00 0.00 0.00 0.00 47.33 46.53 1xch h GLY 5 CO 0.05 0.57 -0.70 0.83 0.00 0.00 0.00 176.54 177.28 1xch h GLU 6 N 0.97 0.63 -0.87 4.80 5.08 -1.82 -2.58 114.58 120.80 1xch h GLU 6 Ca 0.22 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1xch h GLU 6 Cb 0.27 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1xch h GLU 6 CO -0.01 1.10 0.53 -1.49 -1.00 0.00 0.00 179.01 178.15 1xch h TRP 7 N 0.45 1.13 -0.51 4.33 4.06 -0.96 -1.67 115.95 122.77 1xch h TRP 7 Ca -0.03 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.97 1xch h TRP 7 Cb 1.30 -0.37 -0.04 0.00 -1.00 0.00 0.00 29.16 29.04 1xch h TRP 7 CO 0.06 0.74 0.25 0.37 -3.56 0.00 0.00 178.44 176.31 1xch h GLN 8 N 1.19 0.48 -0.02 0.49 4.15 -0.87 -0.71 115.11 119.81 1xch h GLN 8 Ca 0.31 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.71 1xch h GLN 8 Cb -0.07 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1xch h GLN 8 CO -0.06 0.32 -0.02 1.96 -1.93 0.00 0.00 178.83 179.09 1xch h GLN 9 N 0.49 -0.03 -0.64 1.69 1.08 -1.03 -0.63 115.11 116.03 1xch h GLN 9 Ca 0.23 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.53 1xch h GLN 9 Cb 0.14 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.51 1xch h GLN 9 CO -0.16 -0.02 0.26 0.28 -0.95 0.00 0.00 178.83 178.24 1xch h VAL 10 N -0.04 0.78 -0.01 -0.54 2.07 -0.65 -1.02 116.25 116.83 1xch h VAL 10 Ca 0.02 -0.16 -0.15 0.00 0.82 0.00 0.00 66.70 67.24 1xch h VAL 10 Cb 0.06 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1xch h VAL 10 CO -0.04 0.08 -0.67 -0.07 0.02 0.00 0.00 177.57 176.89 1xch h LEU 11 N 0.46 0.08 -0.24 2.57 3.38 -0.89 0.27 115.31 120.94 1xch h LEU 11 Ca 0.33 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1xch h LEU 11 Cb 0.40 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1xch h LEU 11 CO -0.31 0.73 0.09 -1.13 0.09 0.00 0.00 178.44 177.91 1xch h ASN 12 N 0.05 0.33 -0.59 -0.43 -1.24 -0.56 -2.27 115.58 110.86 1xch h ASN 12 Ca -0.01 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 56.80 1xch h ASN 12 Cb 1.19 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 40.13 1xch h ASN 12 CO 0.09 0.42 0.30 0.58 -1.29 0.00 0.00 177.43 177.54 1xch h VAL 13 N 0.22 1.20 -0.08 2.57 2.07 -1.03 -2.41 116.25 118.79 1xch h VAL 13 Ca 0.08 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1xch h VAL 13 Cb 0.20 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1xch h VAL 13 CO -0.00 0.23 0.07 -0.25 0.02 0.00 0.00 177.57 177.63 1xch h TRP 14 N 0.80 0.00 -0.66 1.57 2.91 -0.60 -0.66 115.95 119.32 1xch h TRP 14 Ca 0.21 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.25 1xch h TRP 14 Cb 0.08 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.70 1xch h TRP 14 CO -0.01 0.00 0.43 0.78 -1.03 0.00 0.00 178.44 178.62 1xch h GLY 15 N 0.00 0.90 0.99 2.65 0.00 -0.88 -0.39 103.07 106.34 1xch h GLY 15 Ca 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1xch h GLY 15 CO -0.00 0.28 0.18 0.50 0.00 0.00 0.00 176.54 177.51 1xch h LYS 16 N 0.81 0.88 -0.12 4.80 1.57 -1.21 -3.01 116.57 120.28 1xch h LYS 16 Ca 0.26 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1xch h LYS 16 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1xch h LYS 16 CO -0.07 0.79 -0.37 0.28 -0.57 0.00 0.00 179.45 179.51 1xch h VAL 17 N 0.79 1.29 0.00 0.50 2.07 -1.28 -2.96 116.25 116.68 1xch h VAL 17 Ca 0.18 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 1xch h VAL 17 Cb 0.27 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1xch h VAL 17 CO -0.01 0.43 -0.16 -0.33 0.02 0.00 0.00 177.57 177.52 1xch h GLU 18 N 0.22 0.00 0.00 1.57 5.08 -0.99 -2.40 114.58 118.06 1xch h GLU 18 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xch h GLU 18 Cb 0.76 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1xch h GLU 18 CO 0.06 0.16 -0.01 0.00 -1.00 0.00 0.00 179.01 178.22 1xch h ALA 19 N 1.84 1.00 -0.41 3.43 0.00 -1.41 -3.35 119.26 120.37 1xch h ALA 19 Ca -0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 1xch h ALA 19 Cb 0.72 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.32 1xch h ALA 19 CO 0.02 0.01 -0.59 -3.47 0.00 0.00 0.00 179.25 175.23 1xch n ASP 20 N -3.11 -2.47 -0.21 0.00 2.03 -0.99 -5.03 116.55 106.78 1xch n ASP 20 Ca 0.00 -3.17 -0.07 0.00 0.52 0.00 0.00 54.79 52.07 1xch n ASP 20 Cb 0.30 1.44 0.03 0.00 -0.72 0.00 0.00 41.12 42.17 1xch n ASP 20 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1xch h ILE 21 N 3.04 1.18 -0.36 5.18 3.07 -1.58 -0.88 117.51 127.15 1xch h ILE 21 Ca -0.09 -0.41 -0.05 0.00 1.55 0.00 0.00 64.86 65.86 1xch h ILE 21 Cb 1.01 0.39 -0.01 0.00 -0.27 0.00 0.00 36.82 37.94 1xch h ILE 21 CO 0.32 0.18 0.03 0.00 -1.05 0.00 0.00 178.15 177.64 1xch h ALA 22 N 1.17 0.49 -0.48 0.16 0.00 -1.89 0.11 119.26 118.82 1xch h ALA 22 Ca 0.21 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1xch h ALA 22 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1xch h ALA 22 CO -0.04 0.22 0.01 0.78 0.00 0.00 0.00 179.25 180.22 1xch h GLY 23 N 0.45 0.91 1.05 0.00 0.00 -1.91 -1.45 103.07 102.12 1xch h GLY 23 Ca 0.11 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 1xch h GLY 23 CO 0.01 0.61 -0.12 0.45 0.00 0.00 0.00 176.54 177.50 1xch h HIS 24 N 0.70 1.03 -0.40 5.60 3.86 -1.03 -2.24 115.15 122.67 1xch h HIS 24 Ca 0.14 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1xch h HIS 24 Cb 0.50 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1xch h HIS 24 CO 0.04 1.00 0.19 0.78 0.86 0.00 0.00 177.93 180.80 1xch h GLY 25 N 0.76 0.62 0.78 2.45 0.00 -0.64 -0.41 103.07 106.64 1xch h GLY 25 Ca 0.12 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.16 1xch h GLY 25 CO 0.05 0.29 -0.08 -1.61 0.00 0.00 0.00 176.54 175.19 1xch h GLN 26 N 0.51 -0.12 -0.30 4.80 4.15 -1.19 -1.64 115.11 121.31 1xch h GLN 26 Ca 0.14 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.48 1xch h GLN 26 Cb 0.12 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1xch h GLN 26 CO -0.02 -0.08 -0.20 0.93 -1.93 0.00 0.00 178.83 177.53 1xch h GLU 27 N -0.13 0.55 0.07 1.69 5.08 -1.22 0.16 114.58 120.77 1xch h GLU 27 Ca 0.04 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1xch h GLU 27 Cb 0.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1xch h GLU 27 CO -0.09 0.72 -0.03 0.28 -1.00 0.00 0.00 179.01 178.88 1xch h VAL 28 N 0.49 1.00 -0.47 3.13 2.07 -0.73 -0.24 116.25 121.50 1xch h VAL 28 Ca 0.08 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1xch h VAL 28 Cb 0.62 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1xch h VAL 28 CO 0.04 0.06 0.01 -0.07 0.02 0.00 0.00 177.57 177.64 1xch h LEU 29 N -0.20 0.74 -0.81 2.57 3.38 -1.13 -1.22 115.31 118.64 1xch h LEU 29 Ca -0.01 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1xch h LEU 29 Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1xch h LEU 29 CO 0.02 0.80 0.03 0.40 0.09 0.00 0.00 178.44 179.78 1xch h ILE 30 N 0.73 1.25 -0.60 1.22 2.04 -0.78 -1.63 117.51 119.75 1xch h ILE 30 Ca 0.14 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 1xch h ILE 30 Cb 0.43 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1xch h ILE 30 CO 0.02 0.37 0.25 -0.09 0.00 0.00 0.00 178.15 178.71 1xch h ARG 31 N 0.86 0.88 0.09 2.37 9.65 -0.60 -0.46 114.38 127.16 1xch h ARG 31 Ca 0.17 -0.15 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1xch h ARG 31 Cb 0.46 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1xch h ARG 31 CO 0.02 0.74 -0.04 1.25 2.80 0.00 0.00 179.97 184.74 1xch h LEU 32 N 0.82 -0.10 -0.93 3.80 5.85 -1.03 -0.97 115.31 122.76 1xch h LEU 32 Ca 0.20 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1xch h LEU 32 Cb 0.17 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1xch h LEU 32 CO -0.02 -0.01 -0.05 -0.26 -0.34 0.00 0.00 178.44 177.76 1xch h PHE 33 N -0.18 0.78 0.20 1.25 0.04 -1.16 0.13 116.94 118.01 1xch h PHE 33 Ca -0.01 -0.12 -0.32 0.00 2.80 0.00 0.00 57.97 60.32 1xch h PHE 33 Cb 0.14 -0.21 0.02 0.00 2.20 0.00 0.00 35.95 38.10 1xch h PHE 33 CO -0.05 0.76 -1.45 1.79 -0.60 0.00 0.00 178.31 178.76 1xch h THR 34 N 0.68 1.30 -0.01 -1.55 1.35 -1.08 -3.07 112.91 110.53 1xch h THR 34 Ca 0.13 -2.80 -0.18 0.00 -0.55 0.00 0.00 66.41 63.01 1xch h THR 34 Cb 0.49 2.96 -0.02 0.00 -1.73 0.00 0.00 68.15 69.86 1xch h THR 34 CO 0.03 0.84 -0.79 1.23 -0.25 0.00 0.00 175.52 176.57 1xch h GLY 35 N 0.78 0.13 -6.44 5.82 0.00 -1.15 -3.39 103.07 98.82 1xch h GLY 35 Ca -0.23 -0.22 -0.59 0.00 0.00 0.00 0.00 47.33 46.29 1xch h GLY 35 CO 0.24 0.19 -0.92 1.42 0.00 0.00 0.00 176.54 177.47 1xch n HIS 36 N -3.68 -0.05 0.09 5.60 8.25 0.45 -4.99 115.22 120.89 1xch n HIS 36 Ca -0.02 -3.52 0.20 0.00 -0.26 0.00 0.00 57.72 54.12 1xch n HIS 36 Cb 0.75 0.03 0.73 0.00 1.12 0.00 0.00 29.99 32.62 1xch n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1xch h PRO 37 N 5.37 0.00 0.00 -0.41 0.11 -1.74 0.14 132.00 135.47 1xch h PRO 37 Ca 0.23 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.29 1xch h PRO 37 Cb 0.87 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1xch h PRO 37 CO 0.45 0.00 -0.22 1.05 -0.21 0.00 0.00 178.00 179.07 1xch h GLU 38 N 0.00 0.00 -0.28 1.05 9.09 -1.92 -2.62 114.58 119.89 1xch h GLU 38 Ca 0.20 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.54 1xch h GLU 38 Cb 1.15 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.24 1xch h GLU 38 CO -0.00 0.22 -0.13 1.79 0.05 0.00 0.00 179.01 180.95 1xch h THR 39 N 0.00 1.23 -0.98 -1.06 1.35 -1.03 -2.15 112.91 110.26 1xch h THR 39 Ca -0.00 -1.00 0.13 0.00 -0.55 0.00 0.00 66.41 64.98 1xch h THR 39 Cb 0.57 1.15 -0.09 0.00 -1.73 0.00 0.00 68.15 68.05 1xch h THR 39 CO 0.03 0.33 0.61 0.25 -0.25 0.00 0.00 175.52 176.48 1xch h LEU 40 N 0.44 0.87 -0.41 3.87 5.85 -1.60 -0.29 115.31 124.04 1xch h LEU 40 Ca 0.08 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1xch h LEU 40 Cb 0.48 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1xch h LEU 40 CO 0.03 0.45 0.00 -0.62 -0.34 0.00 0.00 178.44 177.95 1xch n GLU 41 N -4.66 0.05 0.00 1.25 -0.58 -0.81 -1.12 120.64 114.78 1xch n GLU 41 Ca 0.19 0.47 0.14 0.00 -0.42 0.00 0.00 57.16 57.53 1xch n GLU 41 Cb 0.38 -1.65 0.57 0.00 -0.57 0.00 0.00 31.44 30.16 1xch n GLU 41 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1xch n LYS 42 N -1.76 0.23 -3.83 3.49 4.76 -0.12 -4.64 118.16 116.30 1xch n LYS 42 Ca 0.01 -0.06 -0.36 0.00 -2.87 0.00 0.00 58.31 55.03 1xch n LYS 42 Cb 0.07 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.64 1xch n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1xch s PHE 43 N -2.81 3.33 0.31 2.13 0.40 -0.27 -4.97 117.98 116.11 1xch s PHE 43 Ca 0.19 -1.85 0.03 0.00 -0.60 0.00 0.00 56.93 54.70 1xch s PHE 43 Cb 0.19 -2.42 0.51 0.00 0.51 0.00 0.00 43.02 41.81 1xch s PHE 43 CO 0.54 -0.82 1.82 -0.44 0.70 0.00 0.00 175.22 177.02 1xch h ASP 44 N 8.08 0.54 0.83 1.36 3.32 -1.83 -0.57 116.42 128.15 1xch h ASP 44 Ca -0.20 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1xch h ASP 44 Cb 1.06 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1xch h ASP 44 CO 0.59 0.64 0.00 2.29 -1.72 0.00 0.00 179.24 181.05 1xch n LYS 45 N -4.24 0.07 0.00 3.56 2.85 -1.26 -3.34 118.16 115.80 1xch n LYS 45 Ca 0.01 0.20 0.01 0.00 -1.05 0.00 0.00 58.31 57.48 1xch n LYS 45 Cb 0.28 -1.61 -0.00 0.00 -0.65 0.00 0.00 35.03 33.05 1xch n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1xch n PHE 46 N -1.74 0.00 0.07 5.58 3.72 -0.92 -4.66 117.46 119.50 1xch n PHE 46 Ca 0.05 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.48 1xch n PHE 46 Cb 0.27 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.01 1xch n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1xch n LYS 47 N -0.76 0.05 0.12 -1.08 2.85 -0.27 -0.71 118.16 118.36 1xch n LYS 47 Ca 0.00 0.51 0.13 0.00 -1.05 0.00 0.00 58.31 57.90 1xch n LYS 47 Cb 0.03 -1.74 0.30 0.00 -0.65 0.00 0.00 35.03 32.97 1xch n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1xch h HIS 48 N 0.00 0.00 -3.42 5.58 2.07 -1.83 -3.45 115.15 114.11 1xch h HIS 48 Ca 0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.99 1xch h HIS 48 Cb 0.15 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.12 1xch h HIS 48 CO 0.00 0.00 0.40 -0.51 -3.07 0.00 0.00 177.93 174.75 1xch s LEU 49 N -4.80 4.40 -0.03 6.12 1.43 0.12 -4.89 118.68 121.03 1xch s LEU 49 Ca 0.09 1.76 0.02 0.00 -1.03 0.00 0.00 54.13 54.97 1xch s LEU 49 Cb 0.11 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1xch s LEU 49 CO 0.64 -0.25 0.00 0.29 0.23 0.00 0.00 176.35 177.26 1xch n LYS 50 N 3.60 2.97 -4.15 1.70 5.02 -1.26 -5.04 118.16 120.99 1xch n LYS 50 Ca 0.06 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.13 1xch n LYS 50 Cb 0.50 -1.06 -0.05 0.00 -0.02 0.00 0.00 35.03 34.39 1xch n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xch s THR 51 N -2.06 4.15 0.25 -0.18 -4.23 -1.26 -5.01 115.64 107.31 1xch s THR 51 Ca -0.02 -1.53 0.13 0.00 -1.18 0.00 0.00 61.69 59.09 1xch s THR 51 Cb 0.01 -3.25 0.04 0.00 1.34 0.00 0.00 72.50 70.63 1xch s THR 51 CO 0.10 -0.35 1.68 -0.08 -0.54 0.00 0.00 174.62 175.42 1xch h GLU 52 N 1.58 0.00 -0.01 3.99 4.81 -1.98 -2.18 114.58 120.79 1xch h GLU 52 Ca -0.47 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1xch h GLU 52 Cb 1.24 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1xch h GLU 52 CO 0.61 0.52 0.00 0.00 -0.73 0.00 0.00 179.01 179.40 1xch h ALA 53 N 1.48 0.01 -0.56 2.92 0.00 -1.97 0.60 119.26 121.74 1xch h ALA 53 Ca -0.01 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1xch h ALA 53 Cb 0.98 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1xch h ALA 53 CO 0.07 -0.44 0.17 0.93 0.00 0.00 0.00 179.25 179.97 1xch h GLU 54 N -0.09 0.31 -0.27 0.00 5.08 -1.95 0.56 114.58 118.21 1xch h GLU 54 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1xch h GLU 54 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1xch h GLU 54 CO -0.00 0.21 0.15 0.52 -1.00 0.00 0.00 179.01 178.88 1xch h MET 55 N 0.32 0.38 -0.02 2.33 2.86 -0.95 -1.84 114.93 118.02 1xch h MET 55 Ca 0.28 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1xch h MET 55 Cb 0.37 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1xch h MET 55 CO -0.32 0.34 -0.21 0.87 1.06 0.00 0.00 176.91 178.65 1xch h LYS 56 N 0.32 0.02 -0.01 1.72 1.57 0.11 -2.57 116.57 117.75 1xch h LYS 56 Ca 0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1xch h LYS 56 Cb 0.07 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1xch h LYS 56 CO -0.01 0.23 -0.19 0.00 -0.57 0.00 0.00 179.45 178.91 1xch n ALA 57 N -2.50 2.93 -2.60 3.86 0.00 0.19 -4.86 120.51 117.52 1xch n ALA 57 Ca -0.02 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 1xch n ALA 57 Cb 0.27 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 1xch n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xch s SER 58 N -2.50 6.64 0.31 0.00 0.15 -0.72 -4.92 113.70 112.66 1xch s SER 58 Ca 0.26 0.53 0.14 0.00 0.70 0.00 0.00 55.95 57.58 1xch s SER 58 Cb 0.20 -2.43 0.46 0.00 -1.71 0.00 0.00 66.02 62.54 1xch s SER 58 CO 0.50 -0.78 1.65 -0.33 1.20 0.00 0.00 173.24 175.48 1xch h GLU 59 N 8.41 0.00 -0.14 5.44 4.39 -1.89 -2.90 114.58 127.89 1xch h GLU 59 Ca -0.24 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.35 1xch h GLU 59 Cb 1.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1xch h GLU 59 CO 0.94 0.52 -0.42 0.22 -1.16 0.00 0.00 179.01 179.12 1xch h ASP 60 N 0.00 0.34 -0.31 1.42 3.58 -1.97 -1.67 116.42 117.81 1xch h ASP 60 Ca -0.01 -0.15 -0.13 0.00 0.42 0.00 0.00 57.03 57.17 1xch h ASP 60 Cb 1.05 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1xch h ASP 60 CO 0.07 0.72 -0.27 0.25 -2.88 0.00 0.00 179.24 177.13 1xch h LEU 61 N 0.27 0.84 -0.78 2.28 5.85 -1.86 -1.59 115.31 120.32 1xch h LEU 61 Ca 0.02 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 1xch h LEU 61 Cb 0.85 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1xch h LEU 61 CO 0.07 1.06 0.24 0.50 -0.34 0.00 0.00 178.44 179.97 1xch h LYS 62 N 0.70 1.16 0.18 1.25 3.64 -1.31 -0.86 116.57 121.33 1xch h LYS 62 Ca 0.09 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1xch h LYS 62 Cb 0.80 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1xch h LYS 62 CO 0.07 0.98 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.86 1xch h LYS 63 N 1.12 -0.32 -0.98 1.90 3.64 -1.08 -1.77 116.57 119.09 1xch h LYS 63 Ca 0.24 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.71 1xch h LYS 63 Cb 0.29 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 1xch h LYS 63 CO -0.01 -0.21 0.63 1.25 -2.27 0.00 0.00 179.45 178.83 1xch h HIS 64 N -0.33 1.16 -0.67 1.91 2.76 -1.06 -1.66 115.15 117.26 1xch h HIS 64 Ca -0.01 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.33 1xch h HIS 64 Cb 0.30 -0.38 -0.10 0.00 1.55 0.00 0.00 27.41 28.78 1xch h HIS 64 CO -0.11 0.60 0.14 0.78 -1.30 0.00 0.00 177.93 178.04 1xch h GLY 65 N 1.14 0.88 0.97 5.26 0.00 -0.64 0.16 103.07 110.85 1xch h GLY 65 Ca 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 1xch h GLY 65 CO -0.17 -0.16 0.23 -0.84 0.00 0.00 0.00 176.54 175.61 1xch h THR 66 N 0.26 1.20 0.07 4.70 2.02 -0.47 -1.30 112.91 119.40 1xch h THR 66 Ca 0.36 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1xch h THR 66 Cb 0.58 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1xch h THR 66 CO -0.46 0.23 -0.04 0.58 0.37 0.00 0.00 175.52 176.20 1xch h VAL 67 N 0.68 0.96 0.52 3.16 2.07 -0.37 -0.30 116.25 122.97 1xch h VAL 67 Ca 0.17 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1xch h VAL 67 Cb 0.14 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1xch h VAL 67 CO -0.02 0.03 -0.39 0.58 0.02 0.00 0.00 177.57 177.79 1xch h VAL 68 N -0.15 0.20 0.00 2.57 2.07 -0.48 -1.96 116.25 118.50 1xch h VAL 68 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1xch h VAL 68 Cb 0.13 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1xch h VAL 68 CO 0.02 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.41 1xch h LEU 69 N -0.89 0.00 -0.53 2.57 3.38 -1.28 -0.87 115.31 117.69 1xch h LEU 69 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1xch h LEU 69 Cb 0.76 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1xch h LEU 69 CO 0.01 0.13 0.08 0.74 0.09 0.00 0.00 178.44 179.49 1xch h THR 70 N 0.00 1.25 -0.28 0.22 2.02 -0.87 -1.11 112.91 114.15 1xch h THR 70 Ca -0.00 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.19 1xch h THR 70 Cb 0.27 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1xch h THR 70 CO 0.02 0.34 0.03 0.00 0.37 0.00 0.00 175.52 176.28 1xch h ALA 71 N 0.98 0.37 -0.19 6.16 0.00 -0.68 -2.42 119.26 123.48 1xch h ALA 71 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xch h ALA 71 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xch h ALA 71 CO 0.01 0.07 0.12 1.25 0.00 0.00 0.00 179.25 180.71 1xch h LEU 72 N 0.27 0.22 -0.61 0.00 5.85 -1.16 -2.47 115.31 117.41 1xch h LEU 72 Ca 0.08 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.87 1xch h LEU 72 Cb 0.37 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1xch h LEU 72 CO 0.01 0.18 0.25 1.23 -0.34 0.00 0.00 178.44 179.77 1xch h GLY 73 N 0.24 0.86 0.32 3.75 0.00 -1.16 -0.64 103.07 106.46 1xch h GLY 73 Ca 0.07 -0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.34 1xch h GLY 73 CO -0.01 0.01 0.03 -1.33 0.00 0.00 0.00 176.54 175.23 1xch h GLY 74 N 0.45 0.47 0.88 4.60 0.00 -1.13 -0.83 103.07 107.50 1xch h GLY 74 Ca 0.30 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 1xch h GLY 74 CO -0.28 -0.10 0.05 -2.22 0.00 0.00 0.00 176.54 173.99 1xch h ILE 75 N 0.14 1.22 -0.01 2.60 2.04 -0.93 -2.80 117.51 119.77 1xch h ILE 75 Ca 0.22 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 1xch h ILE 75 Cb 0.31 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1xch h ILE 75 CO -0.34 0.24 -0.16 -0.07 0.00 0.00 0.00 178.15 177.82 1xch h LEU 76 N 0.26 0.01 0.00 1.44 3.38 -0.78 0.41 115.31 120.03 1xch h LEU 76 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xch h LEU 76 Cb 0.32 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1xch h LEU 76 CO 0.00 0.17 0.00 0.29 0.09 0.00 0.00 178.44 178.99 1xch n LYS 77 N -4.35 0.14 0.00 1.13 5.02 -0.35 -1.73 118.16 118.02 1xch n LYS 77 Ca -0.02 0.11 0.14 0.00 -2.02 0.00 0.00 58.31 56.51 1xch n LYS 77 Cb 0.23 -1.50 0.54 0.00 -0.02 0.00 0.00 35.03 34.28 1xch n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xch n LYS 78 N -1.41 0.61 -3.85 1.97 4.76 0.14 -4.95 118.16 115.43 1xch n LYS 78 Ca 0.08 -0.25 -0.32 0.00 -2.87 0.00 0.00 58.31 54.95 1xch n LYS 78 Cb 0.22 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 31.93 1xch n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xch n LYS 79 N -0.98 -1.69 0.00 1.97 5.02 -0.70 -1.70 118.16 120.08 1xch n LYS 79 Ca 0.13 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1xch n LYS 79 Cb 0.30 -3.97 0.00 0.00 -0.02 0.00 0.00 35.03 31.34 1xch n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xch n GLY 80 N -1.87 2.91 2.55 0.72 0.00 -1.26 -4.92 105.19 103.32 1xch n GLY 80 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1xch n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xch n HIS 81 N -2.00 2.65 -1.04 1.61 8.25 -0.69 -4.67 115.22 119.33 1xch n HIS 81 Ca 0.00 -2.76 0.08 0.00 -0.26 0.00 0.00 57.72 54.78 1xch n HIS 81 Cb 0.00 -1.69 0.24 0.00 1.12 0.00 0.00 29.99 29.66 1xch n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1xch n HIS 82 N 1.44 0.80 -0.19 4.41 1.44 -1.26 -4.77 115.22 117.10 1xch n HIS 82 Ca 0.57 -0.95 -0.02 0.00 -2.01 0.00 0.00 57.72 55.31 1xch n HIS 82 Cb 0.26 -0.30 0.05 0.00 0.12 0.00 0.00 29.99 30.11 1xch n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1xch h GLU 83 N 1.45 -0.01 -0.47 -1.40 3.07 -1.99 0.23 114.58 115.47 1xch h GLU 83 Ca 0.02 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.93 1xch h GLU 83 Cb 1.39 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.26 1xch h GLU 83 CO 0.20 -0.01 0.21 0.00 -1.40 0.00 0.00 179.01 178.01 1xch h ALA 84 N 1.55 0.59 -0.06 3.43 0.00 -2.00 -0.86 119.26 121.90 1xch h ALA 84 Ca 0.27 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 1xch h ALA 84 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xch h ALA 84 CO -0.59 -0.16 -0.74 0.93 0.00 0.00 0.00 179.25 178.69 1xch h GLU 85 N 0.41 0.34 0.16 0.00 3.07 -1.80 -3.38 114.58 113.38 1xch h GLU 85 Ca 0.21 -0.29 -0.31 0.00 -0.50 0.00 0.00 59.36 58.48 1xch h GLU 85 Cb 0.17 0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1xch h GLU 85 CO -0.18 0.94 -1.51 1.25 -1.40 0.00 0.00 179.01 178.10 1xch h LEU 86 N 0.23 0.54 -0.68 1.33 5.85 -0.08 -3.35 115.31 119.15 1xch h LEU 86 Ca -0.03 -0.91 0.13 0.00 0.84 0.00 0.00 57.88 57.91 1xch h LEU 86 Cb 1.31 -0.18 -0.13 0.00 0.37 0.00 0.00 40.66 42.04 1xch h LEU 86 CO 0.12 1.68 -0.28 0.50 -0.34 0.00 0.00 178.44 180.13 1xch h LYS 87 N -0.09 -0.08 -0.94 1.25 3.64 -1.35 -0.22 116.57 118.78 1xch h LYS 87 Ca -0.30 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.15 1xch h LYS 87 Cb 1.94 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.71 1xch h LYS 87 CO 0.14 -0.06 0.60 -1.00 -2.27 0.00 0.00 179.45 176.87 1xch h PRO 88 N -0.09 1.06 -0.08 1.90 0.13 -1.76 0.23 132.00 133.39 1xch h PRO 88 Ca 0.29 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1xch h PRO 88 Cb 0.55 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 1xch h PRO 88 CO -0.73 0.70 0.03 1.25 -0.23 0.00 0.00 178.00 179.02 1xch h LEU 89 N 1.09 0.11 -0.30 1.56 5.85 -1.24 -0.60 115.31 121.78 1xch h LEU 89 Ca 0.41 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1xch h LEU 89 Cb 0.17 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1xch h LEU 89 CO -0.17 0.25 0.03 0.00 -0.34 0.00 0.00 178.44 178.21 1xch h ALA 90 N 0.86 0.29 -0.33 1.25 0.00 -0.86 -0.04 119.26 120.44 1xch h ALA 90 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1xch h ALA 90 Cb 0.18 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xch h ALA 90 CO -0.00 -0.38 0.10 1.96 0.00 0.00 0.00 179.25 180.93 1xch h GLN 91 N 0.13 0.51 -0.12 0.00 4.20 -0.44 -1.44 115.11 117.95 1xch h GLN 91 Ca 0.14 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.61 1xch h GLN 91 Cb 0.17 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1xch h GLN 91 CO -0.21 0.55 -0.51 0.66 -0.67 0.00 0.00 178.83 178.65 1xch h SER 92 N 0.38 0.36 0.94 1.46 4.64 -0.84 -0.37 113.55 120.11 1xch h SER 92 Ca 0.11 -0.18 -0.13 0.00 -0.47 0.00 0.00 61.79 61.12 1xch h SER 92 Cb 0.25 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1xch h SER 92 CO -0.00 0.81 -0.61 0.45 -0.87 0.00 0.00 176.83 176.61 1xch h HIS 93 N 0.26 0.00 0.00 4.77 3.86 -0.76 -0.97 115.15 122.31 1xch h HIS 93 Ca 0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1xch h HIS 93 Cb 0.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.46 1xch h HIS 93 CO 0.02 0.61 -0.00 0.00 0.86 0.00 0.00 177.93 179.42 1xch h ALA 94 N 1.39 -0.00 0.11 2.45 0.00 -1.15 0.10 119.26 122.17 1xch h ALA 94 Ca -0.01 -0.49 -0.34 0.00 0.00 0.00 0.00 54.91 54.07 1xch h ALA 94 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1xch h ALA 94 CO 0.08 -0.01 -1.85 1.79 0.00 0.00 0.00 179.25 179.26 1xch h THR 95 N -0.97 0.78 0.00 0.00 1.35 -1.12 -3.29 112.91 109.66 1xch h THR 95 Ca -0.00 -2.49 -0.21 0.00 -0.55 0.00 0.00 66.41 63.16 1xch h THR 95 Cb 0.97 2.57 -0.03 0.00 -1.73 0.00 0.00 68.15 69.93 1xch h THR 95 CO 0.00 0.82 -1.36 1.17 -0.25 0.00 0.00 175.52 175.89 1xch n LYS 96 N -3.42 0.54 0.17 4.72 4.81 -0.48 -4.62 118.16 119.88 1xch n LYS 96 Ca -0.26 0.45 0.12 0.00 -0.87 0.00 0.00 58.31 57.74 1xch n LYS 96 Cb 1.05 -1.64 0.09 0.00 0.02 0.00 0.00 35.03 34.56 1xch n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1xch h HIS 97 N -1.00 0.00 -5.85 5.64 3.86 -1.33 -3.48 115.15 112.99 1xch h HIS 97 Ca -0.31 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.55 1xch h HIS 97 Cb 1.16 0.00 0.14 0.00 1.06 0.00 0.00 27.41 29.76 1xch h HIS 97 CO -0.08 0.00 -0.89 1.63 0.86 0.00 0.00 177.93 179.45 1xch n LYS 98 N -2.91 -2.23 -3.29 2.45 4.76 0.19 -4.99 118.16 112.13 1xch n LYS 98 Ca 0.02 0.67 -0.43 0.00 -2.87 0.00 0.00 58.31 55.70 1xch n LYS 98 Cb 0.54 -5.04 -0.08 0.00 -1.84 0.00 0.00 35.03 28.61 1xch n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xch s ILE 99 N -3.45 5.06 0.52 -0.18 -1.09 -0.22 -5.02 121.20 116.82 1xch s ILE 99 Ca 0.40 -0.49 -0.21 0.00 -2.23 0.00 0.00 60.65 58.12 1xch s ILE 99 Cb -0.10 -4.11 -0.07 0.00 -1.58 0.00 0.00 42.46 36.60 1xch s ILE 99 CO 0.80 -0.53 1.05 -0.81 -1.23 0.00 0.00 174.94 174.22 1xch n PRO 100 N 5.66 1.23 0.15 2.79 -0.04 -1.26 -4.73 135.00 138.81 1xch n PRO 100 Ca -0.08 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 1xch n PRO 100 Cb 0.46 -2.20 0.64 0.00 -0.04 0.00 0.00 33.50 32.37 1xch n PRO 100 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1xch h ILE 101 N 1.07 0.91 -0.92 0.52 6.09 -1.92 -0.34 117.51 122.93 1xch h ILE 101 Ca -0.47 -0.01 0.18 0.00 -1.37 0.00 0.00 64.86 63.18 1xch h ILE 101 Cb 1.34 0.87 -0.08 0.00 0.47 0.00 0.00 36.82 39.43 1xch h ILE 101 CO 0.54 0.01 0.59 0.50 -3.07 0.00 0.00 178.15 176.72 1xch h LYS 102 N 0.04 0.57 0.00 2.19 1.63 -2.00 -0.10 116.57 118.91 1xch h LYS 102 Ca 0.10 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1xch h LYS 102 Cb 0.35 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1xch h LYS 102 CO -0.01 0.38 -0.03 1.88 -3.45 0.00 0.00 179.45 178.22 1xch h TYR 103 N 0.59 0.00 -0.05 1.91 0.05 -1.40 -0.97 116.97 117.11 1xch h TYR 103 Ca 0.48 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 59.11 1xch h TYR 103 Cb 0.94 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.67 1xch h TYR 103 CO -0.00 0.03 -0.64 -0.91 -1.05 0.00 0.00 178.16 175.58 1xch h ASN 104 N 0.00 0.23 0.23 3.88 4.21 -1.12 -0.33 115.58 122.67 1xch h ASN 104 Ca -0.00 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.36 1xch h ASN 104 Cb 0.48 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1xch h ASN 104 CO 0.00 0.81 -0.11 -0.08 -1.29 0.00 0.00 177.43 176.76 1xch h GLU 105 N 0.14 -0.30 -0.30 0.81 4.81 -0.81 -2.18 114.58 116.75 1xch h GLU 105 Ca -0.01 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1xch h GLU 105 Cb 1.16 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 1xch h GLU 105 CO 0.10 -0.12 -0.08 0.74 -0.73 0.00 0.00 179.01 178.92 1xch h PHE 106 N -0.43 -0.16 -0.00 0.92 0.04 -1.25 -1.62 116.94 114.44 1xch h PHE 106 Ca -0.03 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 1xch h PHE 106 Cb 0.32 0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1xch h PHE 106 CO -0.03 -0.13 -0.29 0.97 -0.60 0.00 0.00 178.31 178.23 1xch h ILE 107 N -0.00 1.21 -0.53 -0.55 2.10 -1.03 -0.94 117.51 117.76 1xch h ILE 107 Ca 0.14 -1.01 -0.01 0.00 1.08 0.00 0.00 64.86 65.07 1xch h ILE 107 Cb 0.22 1.54 -0.03 0.00 -1.09 0.00 0.00 36.82 37.47 1xch h ILE 107 CO -0.31 0.29 0.31 0.28 -1.08 0.00 0.00 178.15 177.63 1xch h SER 108 N 0.00 0.65 -0.14 2.19 0.02 -0.89 -1.63 113.55 113.75 1xch h SER 108 Ca -0.00 -0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 60.70 1xch h SER 108 Cb 0.52 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1xch h SER 108 CO 0.04 0.53 -0.54 0.44 -1.14 0.00 0.00 176.83 176.16 1xch h ASP 109 N 0.71 0.81 -0.09 3.07 3.32 -0.88 -2.91 116.42 120.44 1xch h ASP 109 Ca 0.19 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 1xch h ASP 109 Cb 0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1xch h ASP 109 CO -0.03 1.18 -0.06 0.00 -1.72 0.00 0.00 179.24 178.61 1xch h ALA 110 N 0.83 1.49 0.14 3.45 0.00 -0.95 -1.54 119.26 122.68 1xch h ALA 110 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xch h ALA 110 Cb 1.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1xch h ALA 110 CO 0.11 0.36 -0.07 0.82 0.00 0.00 0.00 179.25 180.48 1xch h ILE 111 N 0.33 0.99 -0.72 0.00 2.04 -1.14 -1.75 117.51 117.26 1xch h ILE 111 Ca 0.07 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.45 1xch h ILE 111 Cb 0.32 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 1xch h ILE 111 CO 0.01 0.13 0.40 0.40 0.00 0.00 0.00 178.15 179.10 1xch h ILE 112 N -0.45 0.95 0.04 -0.67 2.04 -1.27 -0.99 117.51 117.16 1xch h ILE 112 Ca -0.02 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.61 1xch h ILE 112 Cb 0.36 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1xch h ILE 112 CO 0.03 0.13 -0.16 -0.74 0.00 0.00 0.00 178.15 177.42 1xch h HIS 113 N 0.72 -0.40 -0.99 1.37 2.76 -1.16 -2.37 115.15 115.08 1xch h HIS 113 Ca 0.33 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.52 1xch h HIS 113 Cb 0.23 0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.32 1xch h HIS 113 CO -0.07 -0.23 0.65 0.28 -1.30 0.00 0.00 177.93 177.25 1xch h VAL 114 N -0.28 1.26 -0.65 5.26 2.07 -1.11 0.18 116.25 122.98 1xch h VAL 114 Ca 0.04 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1xch h VAL 114 Cb 0.32 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 1xch h VAL 114 CO -0.12 0.25 0.21 -0.07 0.02 0.00 0.00 177.57 177.86 1xch h LEU 115 N 1.34 0.95 -0.77 2.57 3.38 -1.04 -0.66 115.31 121.08 1xch h LEU 115 Ca 0.36 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1xch h LEU 115 Cb -0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.34 1xch h LEU 115 CO -0.08 0.90 -0.12 0.45 0.09 0.00 0.00 178.44 179.68 1xch h HIS 116 N 0.94 0.89 -0.48 1.13 3.86 -0.99 -1.07 115.15 119.44 1xch h HIS 116 Ca 0.21 -0.17 -0.12 0.00 -1.16 0.00 0.00 60.37 59.13 1xch h HIS 116 Cb 0.28 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1xch h HIS 116 CO 0.02 0.88 -0.19 1.03 0.86 0.00 0.00 177.93 180.53 1xch h SER 117 N 0.72 0.97 0.97 2.45 0.87 -0.70 -2.57 113.55 116.26 1xch h SER 117 Ca 0.12 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1xch h SER 117 Cb 0.62 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1xch h SER 117 CO 0.04 1.13 -0.98 0.29 -0.53 0.00 0.00 176.83 176.78 1xch n LYS 118 N -4.12 0.57 -2.68 2.24 5.02 -0.28 -4.40 118.16 114.52 1xch n LYS 118 Ca 0.00 0.12 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 1xch n LYS 118 Cb 0.44 -1.81 0.01 0.00 -0.02 0.00 0.00 35.03 33.65 1xch n LYS 118 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xch n HIS 119 N -2.62 2.02 -1.68 2.13 8.25 -0.41 -5.09 115.22 117.82 1xch n HIS 119 Ca 0.00 -3.10 -0.48 0.00 -0.26 0.00 0.00 57.72 53.89 1xch n HIS 119 Cb 0.54 -0.29 -0.05 0.00 1.12 0.00 0.00 29.99 31.31 1xch n HIS 119 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1xch n PRO 120 N -0.18 2.16 0.00 -0.41 -0.04 -0.97 -0.67 135.00 134.89 1xch n PRO 120 Ca 0.22 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.47 1xch n PRO 120 Cb 0.72 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1xch n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xch n GLY 121 N 4.14 1.87 2.02 0.55 0.00 -1.26 -4.85 105.19 107.66 1xch n GLY 121 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 1xch n GLY 121 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xch n ASP 122 N 0.00 2.27 -3.73 1.61 5.75 0.16 -4.80 116.55 117.80 1xch n ASP 122 Ca 0.00 -2.70 -0.28 0.00 -0.01 0.00 0.00 54.79 51.80 1xch n ASP 122 Cb 0.00 -0.41 -0.11 0.00 -1.03 0.00 0.00 41.12 39.57 1xch n ASP 122 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1xch n PHE 123 N -0.45 2.29 -0.94 2.11 7.35 -1.20 -5.05 117.46 121.58 1xch n PHE 123 Ca 0.17 -4.07 -0.29 0.00 -0.76 0.00 0.00 57.45 52.50 1xch n PHE 123 Cb 0.91 -0.42 0.18 0.00 0.35 0.00 0.00 39.48 40.49 1xch n PHE 123 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1xch s GLY 124 N -1.22 1.60 0.22 7.13 0.00 -1.26 -4.70 107.32 109.09 1xch s GLY 124 Ca 0.28 -0.01 -0.08 0.00 0.00 0.00 0.00 44.72 44.91 1xch s GLY 124 CO -0.16 0.55 1.87 0.00 0.00 0.00 0.00 173.10 175.35 1xch h ALA 125 N -1.94 1.04 -0.37 3.20 0.00 -1.99 0.23 119.26 119.43 1xch h ALA 125 Ca -0.52 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1xch h ALA 125 Cb 1.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1xch h ALA 125 CO 0.52 0.32 -0.01 0.38 0.00 0.00 0.00 179.25 180.46 1xch h ASP 126 N 0.99 0.65 -0.21 0.00 2.03 -1.99 -1.76 116.42 116.13 1xch h ASP 126 Ca 0.32 -0.31 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xch h ASP 126 Cb 0.01 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.32 1xch h ASP 126 CO -0.11 0.81 0.13 0.00 -1.03 0.00 0.00 179.24 179.04 1xch h ALA 127 N 0.87 0.27 -0.57 4.15 0.00 -1.82 -1.68 119.26 120.48 1xch h ALA 127 Ca 0.10 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1xch h ALA 127 Cb 0.48 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1xch h ALA 127 CO 0.02 -0.24 0.28 0.37 0.00 0.00 0.00 179.25 179.68 1xch h GLN 128 N 0.27 0.50 -0.12 0.00 4.15 -0.49 -0.85 115.11 118.57 1xch h GLN 128 Ca 0.08 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.50 1xch h GLN 128 Cb -0.00 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 1xch h GLN 128 CO -0.02 0.33 -0.07 0.78 -1.93 0.00 0.00 178.83 177.93 1xch h GLY 129 N 0.52 0.04 0.91 2.39 0.00 -1.02 -0.21 103.07 105.70 1xch h GLY 129 Ca 0.26 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 1xch h GLY 129 CO -0.20 -0.09 0.08 0.00 0.00 0.00 0.00 176.54 176.33 1xch h ALA 130 N 1.04 0.45 -0.54 3.60 0.00 -1.16 -0.98 119.26 121.68 1xch h ALA 130 Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1xch h ALA 130 Cb 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1xch h ALA 130 CO -0.17 0.12 0.28 1.98 0.00 0.00 0.00 179.25 181.47 1xch h MET 131 N 0.40 0.77 -0.55 0.00 -1.53 -1.04 -0.86 114.93 112.12 1xch h MET 131 Ca 0.11 -0.10 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 1xch h MET 131 Cb 0.30 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.18 1xch h MET 131 CO 0.00 0.61 0.17 1.15 0.14 0.00 0.00 176.91 178.98 1xch h THR 132 N 0.73 1.24 -0.54 -0.77 2.02 -0.88 -1.19 112.91 113.52 1xch h THR 132 Ca 0.19 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1xch h THR 132 Cb 0.08 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1xch h THR 132 CO -0.03 0.30 0.22 0.11 0.37 0.00 0.00 175.52 176.49 1xch h LYS 133 N 0.77 0.80 -0.59 6.66 1.57 -0.85 -0.06 116.57 124.88 1xch h LYS 133 Ca 0.18 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1xch h LYS 133 Cb 0.28 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1xch h LYS 133 CO -0.01 0.70 0.35 0.00 -0.57 0.00 0.00 179.45 179.93 1xch h ALA 134 N 1.06 0.77 -0.21 3.86 0.00 -0.83 -1.09 119.26 122.83 1xch h ALA 134 Ca 0.18 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1xch h ALA 134 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xch h ALA 134 CO -0.02 0.07 -0.27 -0.07 0.00 0.00 0.00 179.25 178.96 1xch h LEU 135 N 0.69 0.40 -0.36 0.00 3.38 -0.72 -1.94 115.31 116.75 1xch h LEU 135 Ca 0.24 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1xch h LEU 135 Cb 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xch h LEU 135 CO -0.12 0.67 0.09 -0.33 0.09 0.00 0.00 178.44 178.84 1xch h GLU 136 N 0.35 0.57 -0.40 1.13 5.08 -0.51 -0.70 114.58 120.09 1xch h GLU 136 Ca 0.05 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1xch h GLU 136 Cb 0.66 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1xch h GLU 136 CO 0.05 0.61 0.22 1.25 -1.00 0.00 0.00 179.01 180.13 1xch h LEU 137 N 0.42 0.34 0.25 1.33 5.85 -0.94 0.17 115.31 122.73 1xch h LEU 137 Ca 0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xch h LEU 137 Cb 0.29 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1xch h LEU 137 CO 0.00 0.24 -0.23 0.15 -0.34 0.00 0.00 178.44 178.26 1xch h PHE 138 N 0.44 -0.62 -0.72 1.25 3.57 -1.20 -0.76 116.94 118.90 1xch h PHE 138 Ca 0.16 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1xch h PHE 138 Cb 0.04 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1xch h PHE 138 CO -0.09 -0.35 0.45 -0.09 -2.23 0.00 0.00 178.31 176.00 1xch h ARG 139 N -0.51 0.84 -0.27 1.11 2.43 -0.77 -1.86 114.38 115.34 1xch h ARG 139 Ca -0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1xch h ARG 139 Cb 0.47 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1xch h ARG 139 CO -0.04 0.55 0.12 -0.97 -1.51 0.00 0.00 179.97 178.12 1xch h ASN 140 N 0.86 0.36 -0.21 -3.80 -1.24 -0.40 -0.23 115.58 110.92 1xch h ASN 140 Ca 0.30 -0.14 -0.07 0.00 0.71 0.00 0.00 56.30 57.10 1xch h ASN 140 Cb 0.05 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 1xch h ASN 140 CO -0.12 0.40 -0.07 0.44 -1.29 0.00 0.00 177.43 176.79 1xch h ASP 141 N 0.30 0.54 -0.00 1.15 3.32 -0.89 -0.69 116.42 120.13 1xch h ASP 141 Ca 0.09 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1xch h ASP 141 Cb 0.15 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xch h ASP 141 CO -0.01 0.65 0.00 0.40 -1.72 0.00 0.00 179.24 178.56 1xch h ILE 142 N 0.52 1.20 -0.93 0.35 2.04 -1.04 -2.93 117.51 116.74 1xch h ILE 142 Ca 0.10 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.46 1xch h ILE 142 Cb 0.44 1.60 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 1xch h ILE 142 CO 0.02 0.16 0.60 0.00 0.00 0.00 0.00 178.15 178.92 1xch h ALA 143 N 0.75 1.57 -0.54 1.87 0.00 -0.67 0.11 119.26 122.35 1xch h ALA 143 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xch h ALA 143 Cb 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1xch h ALA 143 CO 0.00 0.25 0.35 0.00 0.00 0.00 0.00 179.25 179.85 1xch h ALA 144 N 1.53 0.70 -0.26 0.00 0.00 -1.00 -1.73 119.26 118.50 1xch h ALA 144 Ca 0.42 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 1xch h ALA 144 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xch h ALA 144 CO -0.18 0.10 -0.34 0.87 0.00 0.00 0.00 179.25 179.69 1xch h LYS 145 N 0.70 0.55 -0.66 0.00 6.56 -1.10 -2.37 116.57 120.27 1xch h LYS 145 Ca 0.21 -0.25 -0.05 0.00 -1.06 0.00 0.00 60.65 59.49 1xch h LYS 145 Cb -0.04 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.58 1xch h LYS 145 CO -0.06 0.82 0.20 1.88 -2.06 0.00 0.00 179.45 180.23 1xch h TYR 146 N 0.47 1.04 -0.27 -1.35 -1.99 -0.47 -2.62 116.97 111.77 1xch h TYR 146 Ca 0.05 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 1xch h TYR 146 Cb 0.82 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 1xch h TYR 146 CO 0.03 0.83 0.13 -0.22 -0.00 0.00 0.00 178.16 178.93 1xch h LYS 147 N 0.97 0.39 -0.77 4.88 3.64 -1.00 0.11 116.57 124.79 1xch h LYS 147 Ca 0.21 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1xch h LYS 147 Cb 0.29 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 1xch h LYS 147 CO -0.01 0.38 0.50 0.93 -2.27 0.00 0.00 179.45 178.99 1xch h GLU 148 N 0.31 0.73 0.00 1.90 5.08 -1.13 -0.49 114.58 120.98 1xch h GLU 148 Ca 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xch h GLU 148 Cb 0.12 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1xch h GLU 148 CO -0.01 0.48 -0.22 1.28 -1.00 0.00 0.00 179.01 179.55 1xch n LEU 149 N -4.49 0.38 -0.99 1.33 4.77 -0.77 -4.94 117.00 112.29 1xch n LEU 149 Ca 0.12 0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 56.34 1xch n LEU 149 Cb 0.28 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1xch n LEU 149 CO 0.33 -0.01 -0.12 0.61 -1.33 0.00 0.00 177.39 176.87 1xch n GLY 150 N 1.44 0.66 3.16 -0.72 0.00 0.27 -4.86 105.19 105.14 1xch n GLY 150 Ca 0.06 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1xch n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xch n PHE 151 N -3.26 3.71 -0.07 1.61 7.35 -0.53 -4.57 117.46 121.70 1xch n PHE 151 Ca -0.12 -2.67 -0.07 0.00 -0.76 0.00 0.00 57.45 53.83 1xch n PHE 151 Cb 0.46 -2.50 -0.01 0.00 0.35 0.00 0.00 39.48 37.78 1xch n PHE 151 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 1xch h GLN 152 N 7.11 0.17 -0.00 -4.13 -0.00 -1.89 -3.45 115.11 112.92 1xch h GLN 152 Ca 0.48 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.12 1xch h GLN 152 Cb 0.75 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.20 1xch h GLN 152 CO 1.68 0.11 0.00 0.41 -0.00 0.00 0.00 178.83 181.03