#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mti s VAL 1 N 0.00 0.50 0.35 3.17 1.01 -1.26 -5.09 120.40 119.08 1mti s VAL 1 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 1mti s VAL 1 Cb 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.70 1mti s VAL 1 CO 0.00 0.25 0.81 -0.76 0.00 0.00 0.00 175.10 175.40 1mti s LEU 2 N 1.43 4.05 0.84 3.92 1.02 -1.26 -5.06 118.68 123.61 1mti s LEU 2 Ca -0.03 1.43 -0.12 0.00 0.02 0.00 0.00 54.13 55.42 1mti s LEU 2 Cb -0.13 -4.19 0.10 0.00 0.02 0.00 0.00 46.19 41.98 1mti s LEU 2 CO -0.03 -0.24 1.18 -0.94 0.02 0.00 0.00 176.35 176.35 1mti s SER 3 N -2.19 4.23 0.32 2.29 1.04 -1.26 -4.90 113.70 113.23 1mti s SER 3 Ca 0.56 0.77 0.10 0.00 0.48 0.00 0.00 55.95 57.86 1mti s SER 3 Cb -0.10 -1.24 0.55 0.00 0.10 0.00 0.00 66.02 65.33 1mti s SER 3 CO 0.16 -2.08 1.74 -0.08 0.98 0.00 0.00 173.24 173.96 1mti h GLU 4 N -1.18 0.08 0.00 4.02 4.57 -1.99 -2.49 114.58 117.59 1mti h GLU 4 Ca -0.47 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 57.60 1mti h GLU 4 Cb 1.32 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 1mti h GLU 4 CO 0.63 0.51 -0.35 0.78 -1.18 0.00 0.00 179.01 179.40 1mti h GLY 5 N 1.31 0.00 0.95 1.92 0.00 -1.99 -0.63 103.07 104.63 1mti h GLY 5 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1mti h GLY 5 CO 0.06 0.00 -0.37 0.83 0.00 0.00 0.00 176.54 177.06 1mti h GLU 6 N 0.00 0.64 -0.86 4.80 5.08 -1.85 -1.78 114.58 120.61 1mti h GLU 6 Ca -0.00 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1mti h GLU 6 Cb 0.65 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1mti h GLU 6 CO 0.05 1.01 0.51 -1.49 -1.00 0.00 0.00 179.01 178.08 1mti h TRP 7 N 0.34 1.15 -0.22 4.33 -0.00 -1.26 -1.65 115.95 118.63 1mti h TRP 7 Ca 0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1mti h TRP 7 Cb 0.96 -0.37 -0.01 0.00 -0.00 0.00 0.00 29.16 29.73 1mti h TRP 7 CO 0.08 0.77 0.14 1.96 -0.00 0.00 0.00 178.44 181.39 1mti h GLN 8 N 1.19 0.29 -0.72 0.49 4.20 -0.83 0.21 115.11 119.95 1mti h GLN 8 Ca 0.31 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.11 1mti h GLN 8 Cb -0.03 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 1mti h GLN 8 CO -0.06 0.23 0.47 -0.07 -0.67 0.00 0.00 178.83 178.74 1mti h LEU 9 N 0.28 0.49 -0.07 1.46 3.38 -0.81 -0.04 115.31 119.99 1mti h LEU 9 Ca 0.08 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 1mti h LEU 9 Cb 0.00 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1mti h LEU 9 CO -0.02 0.28 -0.74 0.58 0.09 0.00 0.00 178.44 178.64 1mti h VAL 10 N 0.54 1.33 0.00 1.22 2.07 -0.56 -2.77 116.25 118.08 1mti h VAL 10 Ca 0.34 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1mti h VAL 10 Cb 0.59 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1mti h VAL 10 CO -0.11 0.62 -0.12 0.18 0.02 0.00 0.00 177.57 178.15 1mti n LEU 11 N -4.05 0.28 0.11 2.57 4.77 0.66 -1.34 117.00 120.00 1mti n LEU 11 Ca -0.09 0.41 -0.23 0.00 -0.03 0.00 0.00 56.01 56.07 1mti n LEU 11 Cb 0.73 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 41.27 1mti n LEU 11 CO 0.51 -0.02 -0.13 -0.74 -1.33 0.00 0.00 177.39 175.68 1mti h HIS 12 N 0.00 0.91 -0.20 -1.77 2.76 -0.87 -1.12 115.15 114.85 1mti h HIS 12 Ca 0.00 -0.63 -0.13 0.00 -2.20 0.00 0.00 60.37 57.40 1mti h HIS 12 Cb 0.56 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1mti h HIS 12 CO 0.00 1.49 -0.39 0.28 -1.30 0.00 0.00 177.93 178.00 1mti h VAL 13 N 0.07 1.33 -0.99 5.26 2.07 -1.27 -3.00 116.25 119.71 1mti h VAL 13 Ca -0.22 -1.62 0.21 0.00 0.82 0.00 0.00 66.70 65.89 1mti h VAL 13 Cb 1.99 1.87 -0.10 0.00 -1.52 0.00 0.00 31.29 33.53 1mti h VAL 13 CO 0.24 0.50 0.62 -0.25 0.02 0.00 0.00 177.57 178.70 1mti h TRP 14 N 0.29 0.90 0.00 1.57 2.91 -1.09 -0.85 115.95 119.68 1mti h TRP 14 Ca 0.01 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1mti h TRP 14 Cb 0.99 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 29.37 1mti h TRP 14 CO 0.09 0.17 -0.04 0.00 -1.03 0.00 0.00 178.44 177.64 1mti h ALA 15 N 1.64 1.67 0.05 2.65 0.00 -1.06 -0.74 119.26 123.48 1mti h ALA 15 Ca 0.57 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.32 1mti h ALA 15 Cb 1.09 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1mti h ALA 15 CO -0.34 0.04 -0.53 0.87 0.00 0.00 0.00 179.25 179.30 1mti h LYS 16 N 0.00 0.27 -0.89 0.00 1.79 -1.22 -3.04 116.57 113.48 1mti h LYS 16 Ca -0.00 -0.36 0.18 0.00 -2.18 0.00 0.00 60.65 58.29 1mti h LYS 16 Cb 0.08 0.12 -0.11 0.00 -1.58 0.00 0.00 32.23 30.74 1mti h LYS 16 CO 0.00 1.10 0.46 0.28 -1.08 0.00 0.00 179.45 180.22 1mti h VAL 17 N -0.40 0.64 0.00 0.50 2.07 -0.62 -1.83 116.25 116.61 1mti h VAL 17 Ca -0.08 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1mti h VAL 17 Cb 1.33 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1mti h VAL 17 CO 0.10 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.18 1mti n GLU 18 N -4.91 0.17 0.13 1.57 1.02 -0.35 -1.39 120.64 116.89 1mti n GLU 18 Ca 0.20 0.17 -0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1mti n GLU 18 Cb 0.54 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.59 1mti n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mti h ALA 19 N 2.52 0.81 -2.41 0.62 0.00 -1.34 -3.35 119.26 116.09 1mti h ALA 19 Ca 0.00 -0.56 -0.59 0.00 0.00 0.00 0.00 54.91 53.76 1mti h ALA 19 Cb 0.09 -0.10 -0.38 0.00 0.00 0.00 0.00 17.79 17.40 1mti h ALA 19 CO 0.00 0.77 -0.95 0.34 0.00 0.00 0.00 179.25 179.41 1mti s ASP 20 N -6.65 1.75 0.17 0.00 2.15 -0.48 -5.00 116.67 108.61 1mti s ASP 20 Ca 0.00 -2.88 -0.05 0.00 0.43 0.00 0.00 52.55 50.05 1mti s ASP 20 Cb 0.11 -0.43 0.06 0.00 -0.30 0.00 0.00 42.92 42.36 1mti s ASP 20 CO 0.75 -0.20 1.48 0.58 -0.17 0.00 0.00 175.17 177.62 1mti h VAL 21 N 4.71 1.31 -0.20 1.11 2.07 -1.70 -2.24 116.25 121.32 1mti h VAL 21 Ca 0.22 -1.76 -0.09 0.00 0.82 0.00 0.00 66.70 65.90 1mti h VAL 21 Cb 0.92 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1mti h VAL 21 CO 0.35 0.56 -0.21 0.00 0.02 0.00 0.00 177.57 178.28 1mti h ALA 22 N 0.90 0.29 -0.19 1.67 0.00 -1.92 -0.87 119.26 119.14 1mti h ALA 22 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1mti h ALA 22 Cb 1.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1mti h ALA 22 CO 0.11 0.24 0.13 0.78 0.00 0.00 0.00 179.25 180.50 1mti h GLY 23 N 0.16 0.27 1.01 0.00 0.00 -1.92 -2.19 103.07 100.40 1mti h GLY 23 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1mti h GLY 23 CO 0.05 0.10 0.34 0.45 0.00 0.00 0.00 176.54 177.48 1mti h HIS 24 N 0.26 1.02 -0.44 5.60 3.86 -1.26 -2.49 115.15 121.70 1mti h HIS 24 Ca 0.07 -0.05 0.09 0.00 -1.16 0.00 0.00 60.37 59.32 1mti h HIS 24 Cb -0.03 -0.32 -0.08 0.00 1.06 0.00 0.00 27.41 28.04 1mti h HIS 24 CO -0.06 0.76 -0.08 0.78 0.86 0.00 0.00 177.93 180.18 1mti h GLY 25 N 0.99 0.36 0.84 2.45 0.00 -1.02 -1.13 103.07 105.56 1mti h GLY 25 Ca 0.24 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 1mti h GLY 25 CO -0.03 -0.16 -0.30 -1.61 0.00 0.00 0.00 176.54 174.44 1mti h GLN 26 N 0.03 -0.72 -0.11 4.80 4.15 -1.35 -2.09 115.11 119.81 1mti h GLN 26 Ca 0.22 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.72 1mti h GLN 26 Cb 0.33 0.16 -0.06 0.00 0.21 0.00 0.00 27.48 28.12 1mti h GLN 26 CO -0.43 -0.48 -0.51 -0.44 -1.93 0.00 0.00 178.83 175.04 1mti h ASP 27 N -0.74 -1.60 -0.25 -0.69 5.19 -1.23 -1.11 116.42 115.99 1mti h ASP 27 Ca -0.05 0.19 0.06 0.00 -0.62 0.00 0.00 57.03 56.61 1mti h ASP 27 Cb 0.61 0.63 -0.07 0.00 0.18 0.00 0.00 39.33 40.68 1mti h ASP 27 CO 0.04 -0.48 -0.29 0.40 -3.12 0.00 0.00 179.24 175.79 1mti h ILE 28 N -0.57 0.31 -0.52 0.35 2.04 -1.26 -0.63 117.51 117.22 1mti h ILE 28 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1mti h ILE 28 Cb 0.68 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1mti h ILE 28 CO -0.42 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 177.83 1mti h LEU 29 N -0.30 0.71 -0.14 1.44 3.38 -1.30 -1.00 115.31 118.10 1mti h LEU 29 Ca 0.13 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1mti h LEU 29 Cb 0.51 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1mti h LEU 29 CO -0.42 0.67 -0.09 0.40 0.09 0.00 0.00 178.44 179.10 1mti h ILE 30 N 0.76 1.33 -1.00 1.22 2.04 -1.18 -0.95 117.51 119.72 1mti h ILE 30 Ca 0.18 -1.17 0.08 0.00 1.00 0.00 0.00 64.86 64.94 1mti h ILE 30 Cb 0.22 1.81 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 1mti h ILE 30 CO -0.01 0.34 0.64 -0.09 0.00 0.00 0.00 178.15 179.04 1mti h ARG 31 N -0.05 1.09 -0.00 2.37 9.65 -0.87 0.10 114.38 126.66 1mti h ARG 31 Ca 0.03 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1mti h ARG 31 Cb 0.58 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1mti h ARG 31 CO 0.02 0.72 0.00 1.25 2.80 0.00 0.00 179.97 184.77 1mti h LEU 32 N 1.12 0.00 -0.62 3.80 5.85 -0.91 0.23 115.31 124.79 1mti h LEU 32 Ca 0.45 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.99 1mti h LEU 32 Cb 0.26 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1mti h LEU 32 CO -0.20 0.08 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.68 1mti h PHE 33 N -0.07 1.15 -0.02 1.25 0.04 -0.90 0.17 116.94 118.56 1mti h PHE 33 Ca 0.00 -0.21 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 1mti h PHE 33 Cb 0.07 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 1mti h PHE 33 CO -0.05 1.03 -0.01 0.87 -0.60 0.00 0.00 178.31 179.54 1mti h LYS 34 N 0.94 0.04 -0.47 1.51 1.57 -0.77 -3.10 116.57 116.29 1mti h LYS 34 Ca 0.16 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1mti h LYS 34 Cb 0.60 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 1mti h LYS 34 CO 0.04 0.48 0.26 0.77 -0.57 0.00 0.00 179.45 180.43 1mti h SER 35 N -0.41 0.39 -3.25 0.86 0.02 -0.85 -3.38 113.55 106.94 1mti h SER 35 Ca 0.00 0.02 -0.60 0.00 -0.84 0.00 0.00 61.79 60.37 1mti h SER 35 Cb 0.48 -0.06 -0.40 0.00 0.14 0.00 0.00 62.40 62.56 1mti h SER 35 CO 0.00 0.28 -0.77 -1.00 -1.14 0.00 0.00 176.83 174.20 1mti s HIS 36 N -6.14 1.76 0.46 3.45 3.76 0.60 -5.01 115.29 114.18 1mti s HIS 36 Ca -0.13 -2.31 0.14 0.00 -0.15 0.00 0.00 55.06 52.62 1mti s HIS 36 Cb 0.13 -1.68 1.04 0.00 1.11 0.00 0.00 32.58 33.18 1mti s HIS 36 CO 0.73 -0.78 2.02 -1.35 -0.85 0.00 0.00 174.74 174.51 1mti h PRO 37 N 6.66 0.01 -0.13 8.40 0.11 -1.73 0.71 132.00 146.04 1mti h PRO 37 Ca 0.03 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.17 1mti h PRO 37 Cb 0.93 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1mti h PRO 37 CO 0.45 0.16 0.09 1.05 -0.21 0.00 0.00 178.00 179.53 1mti h GLU 38 N 0.01 0.00 0.00 1.05 9.09 -1.93 -1.46 114.58 121.35 1mti h GLU 38 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 1mti h GLU 38 Cb 0.26 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 1mti h GLU 38 CO 0.02 0.00 -0.21 1.79 0.05 0.00 0.00 179.01 180.66 1mti h THR 39 N 0.00 0.68 -0.01 -1.06 1.35 -1.19 -2.66 112.91 110.02 1mti h THR 39 Ca 0.06 -0.91 -0.07 0.00 -0.55 0.00 0.00 66.41 64.94 1mti h THR 39 Cb 0.25 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 1mti h THR 39 CO -0.00 0.21 -0.32 0.25 -0.25 0.00 0.00 175.52 175.41 1mti h LEU 40 N 0.00 0.02 -2.13 3.87 5.85 -1.44 -2.10 115.31 119.39 1mti h LEU 40 Ca -0.00 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1mti h LEU 40 Cb 0.56 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1mti h LEU 40 CO 0.03 0.34 0.15 -0.33 -0.34 0.00 0.00 178.44 178.28 1mti h GLU 41 N 0.02 0.00 0.00 1.25 5.08 -1.57 -1.68 114.58 117.68 1mti h GLU 41 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mti h GLU 41 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1mti h GLU 41 CO 0.04 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.92 1mti h LYS 42 N 0.00 0.00 -4.94 2.33 1.79 -1.52 -3.41 116.57 110.81 1mti h LYS 42 Ca 0.08 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.87 1mti h LYS 42 Cb 0.37 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 30.84 1mti h LYS 42 CO -0.00 0.00 -0.20 -0.06 -1.08 0.00 0.00 179.45 178.11 1mti s PHE 43 N -3.62 3.18 -0.35 -1.35 0.40 -0.63 -4.93 117.98 110.67 1mti s PHE 43 Ca 0.01 -0.21 0.27 0.00 -0.60 0.00 0.00 56.93 56.40 1mti s PHE 43 Cb 0.09 -2.85 0.90 0.00 0.51 0.00 0.00 43.02 41.68 1mti s PHE 43 CO 0.46 -0.62 1.78 -0.44 0.70 0.00 0.00 175.22 177.11 1mti h ASP 44 N 8.64 0.00 0.44 1.36 5.19 -1.84 0.45 116.42 130.65 1mti h ASP 44 Ca -0.27 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 55.83 1mti h ASP 44 Cb 1.12 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.60 1mti h ASP 44 CO 0.77 0.00 -1.66 0.03 -3.12 0.00 0.00 179.24 175.25 1mti h ARG 45 N 0.00 0.14 0.01 3.56 3.08 -1.94 -3.37 114.38 115.86 1mti h ARG 45 Ca 0.00 -0.23 -0.34 0.00 0.07 0.00 0.00 59.98 59.48 1mti h ARG 45 Cb 0.64 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 1mti h ARG 45 CO 0.00 0.88 -2.08 1.28 -1.07 0.00 0.00 179.97 178.98 1mti n LEU 46 N -3.29 0.82 -0.07 3.04 4.32 -0.32 -4.77 117.00 116.73 1mti n LEU 46 Ca -0.19 0.18 0.02 0.00 -0.02 0.00 0.00 56.01 56.00 1mti n LEU 46 Cb 1.04 0.12 0.04 0.00 -1.62 0.00 0.00 43.42 42.99 1mti n LEU 46 CO 0.46 0.52 0.14 1.17 -1.22 0.00 0.00 177.39 178.46 1mti n LYS 47 N -2.97 -0.02 0.13 3.23 4.81 -0.00 -1.56 118.16 121.77 1mti n LYS 47 Ca -0.27 0.30 0.11 0.00 -0.87 0.00 0.00 58.31 57.57 1mti n LYS 47 Cb 1.09 -0.45 0.48 0.00 0.02 0.00 0.00 35.03 36.18 1mti n LYS 47 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1mti n HIS 48 N -4.22 0.68 -1.82 5.64 1.44 -1.26 -4.87 115.22 110.83 1mti n HIS 48 Ca 0.04 0.30 -0.42 0.00 -2.01 0.00 0.00 57.72 55.63 1mti n HIS 48 Cb 0.11 -0.98 -0.02 0.00 0.12 0.00 0.00 29.99 29.22 1mti n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mti s LEU 49 N -4.30 4.36 -0.15 2.39 1.43 -0.60 -4.93 118.68 116.87 1mti s LEU 49 Ca 0.02 2.85 0.06 0.00 -1.03 0.00 0.00 54.13 56.03 1mti s LEU 49 Cb 0.08 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.55 1mti s LEU 49 CO 0.30 -0.89 -0.06 0.29 0.23 0.00 0.00 176.35 176.21 1mti n LYS 50 N 2.93 1.08 -4.58 1.70 5.02 -1.26 -4.98 118.16 118.07 1mti n LYS 50 Ca 0.11 0.05 -0.27 0.00 -2.02 0.00 0.00 58.31 56.18 1mti n LYS 50 Cb 0.37 -1.33 -0.09 0.00 -0.02 0.00 0.00 35.03 33.96 1mti n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mti s THR 51 N -2.33 1.04 0.25 -0.18 -4.23 -1.26 -5.02 115.64 103.91 1mti s THR 51 Ca -0.15 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.47 1mti s THR 51 Cb 0.05 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.40 1mti s THR 51 CO 0.45 0.00 1.61 -0.08 -0.54 0.00 0.00 174.62 176.06 1mti h GLU 52 N 1.74 0.00 -0.44 3.99 4.81 -1.99 -0.56 114.58 122.14 1mti h GLU 52 Ca -0.40 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.76 1mti h GLU 52 Cb 1.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1mti h GLU 52 CO 0.67 0.61 -0.03 0.00 -0.73 0.00 0.00 179.01 179.53 1mti h ALA 53 N 1.39 1.12 -0.29 2.92 0.00 -1.99 0.58 119.26 123.00 1mti h ALA 53 Ca -0.01 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1mti h ALA 53 Cb 1.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1mti h ALA 53 CO 0.08 0.56 -0.38 0.93 0.00 0.00 0.00 179.25 180.44 1mti h GLU 54 N 0.68 0.68 -0.66 0.00 5.08 -1.56 -2.64 114.58 116.15 1mti h GLU 54 Ca 0.13 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1mti h GLU 54 Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1mti h GLU 54 CO 0.02 0.95 0.14 0.52 -1.00 0.00 0.00 179.01 179.64 1mti h MET 55 N 0.56 1.06 0.00 2.33 2.86 -0.57 -2.02 114.93 119.15 1mti h MET 55 Ca 0.05 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 1mti h MET 55 Cb 0.91 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1mti h MET 55 CO 0.08 0.95 -0.26 0.87 1.06 0.00 0.00 176.91 179.60 1mti h LYS 56 N 1.00 0.00 -0.05 1.72 1.57 -0.73 -2.37 116.57 117.72 1mti h LYS 56 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1mti h LYS 56 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1mti h LYS 56 CO 0.00 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 1mti n ALA 57 N -2.32 2.48 -2.64 3.86 0.00 -0.87 -4.88 120.51 116.13 1mti n ALA 57 Ca -0.01 -0.66 -0.43 0.00 0.00 0.00 0.00 53.44 52.34 1mti n ALA 57 Cb 0.38 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 1mti n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mti s SER 58 N -1.96 7.05 0.24 0.00 0.15 -0.81 -4.90 113.70 113.47 1mti s SER 58 Ca 0.31 1.33 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1mti s SER 58 Cb 0.20 -2.54 0.28 0.00 -1.71 0.00 0.00 66.02 62.25 1mti s SER 58 CO 0.31 -0.72 1.63 -0.08 1.20 0.00 0.00 173.24 175.58 1mti h GLU 59 N 7.64 0.52 -0.37 5.44 4.57 -1.90 -2.73 114.58 127.76 1mti h GLU 59 Ca -0.20 -0.25 -0.08 0.00 -1.18 0.00 0.00 59.36 57.66 1mti h GLU 59 Cb 1.06 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1mti h GLU 59 CO 0.99 0.81 -0.11 -0.44 -1.18 0.00 0.00 179.01 179.08 1mti h ASP 60 N 0.44 0.63 -0.49 1.04 3.32 -1.97 -0.72 116.42 118.68 1mti h ASP 60 Ca 0.05 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 1mti h ASP 60 Cb 0.83 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1mti h ASP 60 CO 0.07 0.77 0.01 0.25 -1.72 0.00 0.00 179.24 178.62 1mti h LEU 61 N 0.59 0.84 -0.76 1.55 6.46 -1.86 -2.09 115.31 120.04 1mti h LEU 61 Ca 0.11 -0.30 -0.08 0.00 -0.12 0.00 0.00 57.88 57.49 1mti h LEU 61 Cb 0.53 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 1mti h LEU 61 CO 0.03 0.93 0.09 0.50 -0.62 0.00 0.00 178.44 179.38 1mti h LYS 62 N 0.71 1.03 -0.53 1.25 3.64 -1.31 -0.95 116.57 120.41 1mti h LYS 62 Ca 0.14 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 1mti h LYS 62 Cb 0.50 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1mti h LYS 62 CO 0.02 0.96 0.03 0.87 -2.27 0.00 0.00 179.45 179.06 1mti h LYS 63 N 0.97 0.87 -0.28 1.90 1.57 -1.00 -2.72 116.57 117.88 1mti h LYS 63 Ca 0.19 -0.23 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 1mti h LYS 63 Cb 0.43 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1mti h LYS 63 CO 0.01 0.85 -0.53 1.25 -0.57 0.00 0.00 179.45 180.47 1mti h HIS 64 N 0.82 1.03 -0.53 -1.35 2.76 -1.07 -2.17 115.15 114.64 1mti h HIS 64 Ca 0.16 -0.36 0.07 0.00 -2.20 0.00 0.00 60.37 58.04 1mti h HIS 64 Cb 0.44 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 1mti h HIS 64 CO 0.03 1.17 0.36 0.78 -1.30 0.00 0.00 177.93 178.96 1mti h GLY 65 N 0.78 0.58 1.05 5.26 0.00 -0.90 -0.41 103.07 109.42 1mti h GLY 65 Ca 0.02 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1mti h GLY 65 CO 0.12 0.14 -0.40 -2.08 0.00 0.00 0.00 176.54 174.31 1mti h VAL 66 N 0.46 1.29 -0.48 4.60 2.07 -1.18 -1.13 116.25 121.89 1mti h VAL 66 Ca 0.23 -1.59 0.02 0.00 0.82 0.00 0.00 66.70 66.19 1mti h VAL 66 Cb 0.34 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1mti h VAL 66 CO -0.06 0.51 0.29 0.74 0.02 0.00 0.00 177.57 179.07 1mti h THR 67 N 0.55 1.07 -0.06 2.57 2.02 -0.77 -1.18 112.91 117.10 1mti h THR 67 Ca 0.03 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1mti h THR 67 Cb 0.99 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1mti h THR 67 CO 0.09 0.11 0.02 0.58 0.37 0.00 0.00 175.52 176.70 1mti h VAL 68 N 0.59 1.14 -0.06 3.16 2.07 -0.98 -2.37 116.25 119.79 1mti h VAL 68 Ca 0.19 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 1mti h VAL 68 Cb -0.01 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1mti h VAL 68 CO -0.07 0.11 -0.45 -0.07 0.02 0.00 0.00 177.57 177.11 1mti h LEU 69 N -0.06 0.16 -0.40 2.57 3.38 -1.12 -0.90 115.31 118.94 1mti h LEU 69 Ca 0.02 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1mti h LEU 69 Cb 0.16 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1mti h LEU 69 CO -0.00 0.59 -0.01 0.74 0.09 0.00 0.00 178.44 179.85 1mti h THR 70 N 0.12 1.26 -0.57 0.22 2.02 -1.20 -0.39 112.91 114.38 1mti h THR 70 Ca 0.01 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.09 1mti h THR 70 Cb 0.85 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1mti h THR 70 CO 0.07 0.35 0.10 0.00 0.37 0.00 0.00 175.52 176.40 1mti h ALA 71 N 0.88 0.75 -0.47 6.16 0.00 -1.09 -2.08 119.26 123.41 1mti h ALA 71 Ca 0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1mti h ALA 71 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1mti h ALA 71 CO 0.02 0.49 0.09 1.25 0.00 0.00 0.00 179.25 181.10 1mti h LEU 72 N 0.83 0.75 -0.67 0.00 5.85 -1.11 -2.60 115.31 118.35 1mti h LEU 72 Ca 0.17 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1mti h LEU 72 Cb 0.41 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1mti h LEU 72 CO 0.01 0.81 0.42 1.23 -0.34 0.00 0.00 178.44 180.56 1mti h GLY 73 N 0.65 0.96 2.00 3.75 0.00 -0.96 -0.48 103.07 108.99 1mti h GLY 73 Ca 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1mti h GLY 73 CO 0.01 0.27 -0.16 0.00 0.00 0.00 0.00 176.54 176.66 1mti h ALA 74 N 1.29 1.41 -0.05 3.60 0.00 -1.16 -2.02 119.26 122.31 1mti h ALA 74 Ca 0.27 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1mti h ALA 74 Cb 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1mti h ALA 74 CO -0.11 0.20 -0.61 0.82 0.00 0.00 0.00 179.25 179.55 1mti h ILE 75 N 0.00 1.38 -0.60 0.00 2.04 -0.94 -3.00 117.51 116.39 1mti h ILE 75 Ca -0.00 -1.98 -0.06 0.00 1.00 0.00 0.00 64.86 63.82 1mti h ILE 75 Cb 0.36 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 1mti h ILE 75 CO 0.02 0.59 0.15 -0.07 0.00 0.00 0.00 178.15 178.84 1mti h LEU 76 N 0.07 0.88 -1.95 1.44 3.38 -0.90 -1.56 115.31 116.66 1mti h LEU 76 Ca -0.06 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1mti h LEU 76 Cb 1.28 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1mti h LEU 76 CO 0.12 0.85 0.00 0.11 0.09 0.00 0.00 178.44 179.62 1mti h LYS 77 N 0.90 0.00 0.00 1.13 1.57 -1.30 -0.84 116.57 118.03 1mti h LYS 77 Ca 0.19 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1mti h LYS 77 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1mti h LYS 77 CO -0.00 0.00 -0.04 0.87 -0.57 0.00 0.00 179.45 179.71 1mti h LYS 78 N 0.00 0.00 -5.85 3.15 1.79 -1.14 -3.48 116.57 111.04 1mti h LYS 78 Ca 0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 1mti h LYS 78 Cb 0.27 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 31.05 1mti h LYS 78 CO 0.00 0.04 -0.70 1.63 -1.08 0.00 0.00 179.45 179.34 1mti n LYS 79 N -3.16 -7.52 0.00 3.15 5.02 -0.32 -1.60 118.16 113.72 1mti n LYS 79 Ca 0.00 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1mti n LYS 79 Cb 0.32 -5.84 0.00 0.00 -0.02 0.00 0.00 35.03 29.48 1mti n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mti n GLY 80 N -1.83 2.61 2.83 0.72 0.00 -1.26 -4.96 105.19 103.30 1mti n GLY 80 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1mti n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mti n HIS 81 N -1.92 2.57 -0.26 1.61 8.25 -0.63 -4.63 115.22 120.22 1mti n HIS 81 Ca 0.00 -2.67 0.03 0.00 -0.26 0.00 0.00 57.72 54.82 1mti n HIS 81 Cb 0.00 -1.55 0.06 0.00 1.12 0.00 0.00 29.99 29.62 1mti n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mti n HIS 82 N 1.98 0.12 -0.34 4.41 1.44 -1.26 -4.76 115.22 116.80 1mti n HIS 82 Ca 0.39 -0.60 0.21 0.00 -2.01 0.00 0.00 57.72 55.70 1mti n HIS 82 Cb 0.32 -0.08 0.45 0.00 0.12 0.00 0.00 29.99 30.81 1mti n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 1mti h GLU 83 N 0.41 0.45 -0.27 -1.40 9.09 -2.00 -1.60 114.58 119.25 1mti h GLU 83 Ca 0.00 -0.03 -0.17 0.00 0.05 0.00 0.00 59.36 59.22 1mti h GLU 83 Cb 0.67 -0.10 -0.00 0.00 -1.65 0.00 0.00 28.75 27.66 1mti h GLU 83 CO 0.01 0.30 -0.49 0.00 0.05 0.00 0.00 179.01 178.88 1mti h ALA 84 N 1.69 0.62 0.00 1.06 0.00 -2.00 -1.18 119.26 119.44 1mti h ALA 84 Ca 0.64 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1mti h ALA 84 Cb 1.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1mti h ALA 84 CO -0.42 0.68 -0.14 0.93 0.00 0.00 0.00 179.25 180.30 1mti h GLU 85 N 0.59 0.00 0.00 0.00 3.07 -1.75 -3.26 114.58 113.23 1mti h GLU 85 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1mti h GLU 85 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1mti h GLU 85 CO 0.10 0.14 -0.47 1.25 -1.40 0.00 0.00 179.01 178.63 1mti h LEU 86 N 0.00 0.00 0.72 1.33 5.85 -0.27 -3.36 115.31 119.58 1mti h LEU 86 Ca -0.00 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1mti h LEU 86 Cb 0.56 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.60 1mti h LEU 86 CO 0.02 0.01 -0.35 0.11 -0.34 0.00 0.00 178.44 177.89 1mti h LYS 87 N 0.00 -0.94 -0.43 1.25 1.57 -1.55 0.20 116.57 116.68 1mti h LYS 87 Ca 0.00 0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1mti h LYS 87 Cb 0.96 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1mti h LYS 87 CO 0.00 -0.62 0.28 -1.00 -0.57 0.00 0.00 179.45 177.54 1mti h PRO 88 N -1.14 0.52 -0.19 3.15 0.13 -1.78 -0.35 132.00 132.35 1mti h PRO 88 Ca -0.10 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.91 1mti h PRO 88 Cb 0.74 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 1mti h PRO 88 CO 0.16 0.35 -0.22 1.25 -0.23 0.00 0.00 178.00 179.31 1mti h LEU 89 N 0.54 0.52 -1.15 1.56 7.12 -1.64 -1.46 115.31 120.80 1mti h LEU 89 Ca 0.16 -0.50 -0.07 0.00 0.13 0.00 0.00 57.88 57.61 1mti h LEU 89 Cb -0.01 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 39.96 1mti h LEU 89 CO -0.04 0.91 -0.15 0.00 -0.13 0.00 0.00 178.44 179.04 1mti h ALA 90 N 0.63 1.30 -0.26 1.25 0.00 -0.34 -2.25 119.26 119.58 1mti h ALA 90 Ca 0.03 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1mti h ALA 90 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1mti h ALA 90 CO 0.05 0.47 -0.47 0.37 0.00 0.00 0.00 179.25 179.67 1mti h GLN 91 N 0.39 0.78 -0.05 0.00 4.15 -0.83 -0.02 115.11 119.53 1mti h GLN 91 Ca 0.07 -0.49 -0.23 0.00 0.77 0.00 0.00 58.65 58.77 1mti h GLN 91 Cb 0.49 0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.24 1mti h GLN 91 CO 0.03 1.12 -0.89 0.66 -1.93 0.00 0.00 178.83 177.82 1mti h SER 92 N 0.53 0.73 0.05 -0.69 4.64 -1.22 -1.71 113.55 115.89 1mti h SER 92 Ca 0.02 -0.54 -0.15 0.00 -0.47 0.00 0.00 61.79 60.64 1mti h SER 92 Cb 1.07 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1mti h SER 92 CO 0.11 1.33 -0.52 0.45 -0.87 0.00 0.00 176.83 177.33 1mti h HIS 93 N 0.36 0.64 0.10 4.77 3.86 -1.36 0.17 115.15 123.68 1mti h HIS 93 Ca -0.08 -0.22 -0.27 0.00 -1.16 0.00 0.00 60.37 58.65 1mti h HIS 93 Cb 1.52 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 29.88 1mti h HIS 93 CO 0.08 0.93 -1.16 0.00 0.86 0.00 0.00 177.93 178.63 1mti h ALA 94 N 1.03 0.15 0.00 2.45 0.00 -0.98 0.14 119.26 122.05 1mti h ALA 94 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1mti h ALA 94 Cb 1.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1mti h ALA 94 CO 0.10 0.86 -0.93 -2.37 0.00 0.00 0.00 179.25 176.91 1mti n THR 95 N -3.65 0.00 -0.08 0.00 5.66 -0.65 -3.74 114.28 111.82 1mti n THR 95 Ca -0.09 -0.25 -0.16 0.00 -3.05 0.00 0.00 64.05 60.50 1mti n THR 95 Cb 0.96 0.63 -0.05 0.00 -1.55 0.00 0.00 70.33 70.32 1mti n THR 95 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1mti n LYS 96 N -1.52 0.41 0.05 1.09 3.00 -0.58 -4.66 118.16 115.95 1mti n LYS 96 Ca -0.00 0.17 -0.16 0.00 -0.00 0.00 0.00 58.31 58.32 1mti n LYS 96 Cb 0.18 -1.20 -0.14 0.00 0.00 0.00 0.00 35.03 33.87 1mti n LYS 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1mti h HIS 97 N -0.73 0.41 -3.67 5.64 -0.00 -0.87 -3.49 115.15 112.44 1mti h HIS 97 Ca -0.31 -0.30 -0.05 0.00 -0.00 0.00 0.00 60.37 59.71 1mti h HIS 97 Cb 1.16 -0.02 0.04 0.00 -0.00 0.00 0.00 27.41 28.59 1mti h HIS 97 CO -0.16 1.38 -0.17 1.63 -0.00 0.00 0.00 177.93 180.61 1mti n LYS 98 N -3.41 -0.55 -3.64 2.45 4.01 0.25 -5.01 118.16 112.27 1mti n LYS 98 Ca -0.18 0.39 -0.39 0.00 -0.51 0.00 0.00 58.31 57.63 1mti n LYS 98 Cb 1.04 -2.69 -0.11 0.00 -0.51 0.00 0.00 35.03 32.76 1mti n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1mti s ILE 99 N -3.08 4.63 0.66 -0.18 -1.09 0.13 -5.02 121.20 117.25 1mti s ILE 99 Ca 0.09 -0.50 -0.17 0.00 -2.23 0.00 0.00 60.65 57.84 1mti s ILE 99 Cb -0.01 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1mti s ILE 99 CO 0.20 0.00 1.21 -2.16 -1.23 0.00 0.00 174.94 172.96 1mti s PRO 100 N 1.61 2.58 0.38 2.79 0.04 -1.26 -4.79 135.00 136.35 1mti s PRO 100 Ca 0.04 1.78 0.11 0.00 0.04 0.00 0.00 61.00 62.97 1mti s PRO 100 Cb -0.17 -1.88 0.89 0.00 0.04 0.00 0.00 34.50 33.37 1mti s PRO 100 CO 0.07 -1.50 1.89 0.82 0.04 0.00 0.00 177.00 178.31 1mti h ILE 101 N 0.29 0.83 -0.68 0.56 1.08 -1.91 -0.71 117.51 116.96 1mti h ILE 101 Ca -0.49 -0.21 0.13 0.00 -0.39 0.00 0.00 64.86 63.90 1mti h ILE 101 Cb 1.30 0.17 -0.09 0.00 -3.07 0.00 0.00 36.82 35.12 1mti h ILE 101 CO 0.53 0.11 0.21 0.50 -0.69 0.00 0.00 178.15 178.80 1mti h LYS 102 N 0.61 0.33 -0.37 2.37 1.63 -1.91 -0.82 116.57 118.41 1mti h LYS 102 Ca 0.42 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.14 1mti h LYS 102 Cb 0.75 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 1mti h LYS 102 CO -0.17 0.22 -0.01 1.88 -3.45 0.00 0.00 179.45 177.91 1mti h TYR 103 N 0.34 0.61 -0.08 1.91 -1.99 -1.48 -1.41 116.97 114.86 1mti h TYR 103 Ca 0.37 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.94 1mti h TYR 103 Cb 0.55 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 1mti h TYR 103 CO -0.21 0.59 -0.35 -0.07 -0.00 0.00 0.00 178.16 178.12 1mti h LEU 104 N 0.55 0.16 -0.36 3.88 3.38 -1.21 -1.79 115.31 119.93 1mti h LEU 104 Ca 0.12 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1mti h LEU 104 Cb 0.37 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1mti h LEU 104 CO 0.01 0.51 0.02 -0.33 0.09 0.00 0.00 178.44 178.74 1mti h GLU 105 N 0.14 0.62 -0.68 1.13 5.08 -0.46 -2.15 114.58 118.26 1mti h GLU 105 Ca 0.02 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1mti h GLU 105 Cb 0.68 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 1mti h GLU 105 CO 0.05 0.72 0.41 0.74 -1.00 0.00 0.00 179.01 179.93 1mti h PHE 106 N 0.44 0.77 0.00 4.33 0.04 -1.04 -1.89 116.94 119.59 1mti h PHE 106 Ca 0.10 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.84 1mti h PHE 106 Cb 0.42 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1mti h PHE 106 CO 0.03 0.42 -0.29 0.97 -0.60 0.00 0.00 178.31 178.84 1mti h ILE 107 N 0.79 0.71 -0.29 -0.55 2.10 -1.32 -2.20 117.51 116.75 1mti h ILE 107 Ca 0.28 -1.31 -0.07 0.00 1.08 0.00 0.00 64.86 64.84 1mti h ILE 107 Cb 0.07 1.85 -0.02 0.00 -1.09 0.00 0.00 36.82 37.63 1mti h ILE 107 CO -0.13 0.29 -0.11 0.28 -1.08 0.00 0.00 178.15 177.40 1mti h SER 108 N 0.00 0.46 0.30 2.19 0.02 -0.67 -0.69 113.55 115.16 1mti h SER 108 Ca -0.00 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.69 1mti h SER 108 Cb 0.82 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1mti h SER 108 CO 0.04 0.61 -0.56 -0.08 -1.14 0.00 0.00 176.83 175.71 1mti h GLU 109 N 0.45 0.27 0.00 3.45 4.81 -1.13 -1.61 114.58 120.82 1mti h GLU 109 Ca 0.09 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 58.99 1mti h GLU 109 Cb 0.47 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1mti h GLU 109 CO 0.03 0.75 -0.75 0.00 -0.73 0.00 0.00 179.01 178.31 1mti h ALA 110 N 1.21 0.69 -0.16 2.92 0.00 -0.77 -1.24 119.26 121.91 1mti h ALA 110 Ca 0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 1mti h ALA 110 Cb 1.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1mti h ALA 110 CO 0.09 0.94 -0.71 0.82 0.00 0.00 0.00 179.25 180.39 1mti h ILE 111 N 0.00 1.30 -0.12 0.00 2.04 -0.70 -1.49 117.51 118.55 1mti h ILE 111 Ca -0.01 -1.95 -0.12 0.00 1.00 0.00 0.00 64.86 63.78 1mti h ILE 111 Cb 1.38 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.38 1mti h ILE 111 CO 0.10 0.61 -0.45 0.40 0.00 0.00 0.00 178.15 178.81 1mti h ILE 112 N 0.49 1.32 0.08 -0.67 2.04 -1.17 -0.67 117.51 118.94 1mti h ILE 112 Ca -0.03 -1.62 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 1mti h ILE 112 Cb 1.31 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1mti h ILE 112 CO 0.14 0.49 -0.04 -0.74 0.00 0.00 0.00 178.15 178.00 1mti h HIS 113 N 0.23 -0.10 0.06 1.37 2.76 -0.88 -1.44 115.15 117.15 1mti h HIS 113 Ca 0.02 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1mti h HIS 113 Cb 0.89 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.88 1mti h HIS 113 CO 0.02 0.26 -0.03 0.28 -1.30 0.00 0.00 177.93 177.16 1mti h VAL 114 N -0.47 1.00 -0.57 5.26 2.07 -1.02 -0.97 116.25 121.57 1mti h VAL 114 Ca -0.01 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1mti h VAL 114 Cb 0.40 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1mti h VAL 114 CO 0.02 0.05 0.25 -0.07 0.02 0.00 0.00 177.57 177.83 1mti h LEU 115 N -0.16 0.31 -0.49 2.57 3.38 -1.11 0.33 115.31 120.15 1mti h LEU 115 Ca -0.01 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1mti h LEU 115 Cb 0.13 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1mti h LEU 115 CO 0.01 0.20 0.14 -0.74 0.09 0.00 0.00 178.44 178.14 1mti h HIS 116 N 0.46 0.24 -0.22 1.13 2.76 -1.11 -0.43 115.15 117.99 1mti h HIS 116 Ca 0.27 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.43 1mti h HIS 116 Cb 0.26 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 1mti h HIS 116 CO -0.13 0.06 0.00 0.77 -1.30 0.00 0.00 177.93 177.33 1mti h SER 117 N 0.30 0.37 0.57 3.26 0.02 -0.59 -3.31 113.55 114.17 1mti h SER 117 Ca 0.24 -0.30 -0.23 0.00 -0.84 0.00 0.00 61.79 60.65 1mti h SER 117 Cb 0.28 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1mti h SER 117 CO -0.27 0.58 -1.03 0.03 -1.14 0.00 0.00 176.83 175.00 1mti h ARG 118 N 0.15 0.26 -1.99 3.45 3.08 -0.97 -3.40 114.38 114.96 1mti h ARG 118 Ca 0.06 -0.34 -0.60 0.00 0.07 0.00 0.00 59.98 59.17 1mti h ARG 118 Cb 0.39 0.11 -0.42 0.00 0.08 0.00 0.00 29.97 30.14 1mti h ARG 118 CO 0.01 1.09 -0.63 0.72 -1.07 0.00 0.00 179.97 180.09 1mti n HIS 119 N -3.62 3.79 0.14 3.04 8.25 -0.17 -4.93 115.22 121.72 1mti n HIS 119 Ca -0.06 -3.62 0.07 0.00 -0.26 0.00 0.00 57.72 53.85 1mti n HIS 119 Cb 0.90 -0.35 0.56 0.00 1.12 0.00 0.00 29.99 32.22 1mti n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mti h PRO 120 N 2.85 0.21 0.00 -0.41 0.13 -1.72 -0.02 132.00 133.03 1mti h PRO 120 Ca 0.21 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.22 1mti h PRO 120 Cb 0.65 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1mti h PRO 120 CO 0.84 0.14 -0.49 0.78 -0.23 0.00 0.00 178.00 179.05 1mti h GLY 121 N 0.21 0.00 -1.77 1.56 0.00 -1.92 -2.85 103.07 98.30 1mti h GLY 121 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1mti h GLY 121 CO -0.02 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.22 1mti n ASN 122 N -3.39 3.49 -2.63 0.19 5.03 -0.39 -4.65 115.26 112.90 1mti n ASN 122 Ca 0.01 -2.24 -0.11 0.00 0.87 0.00 0.00 54.58 53.11 1mti n ASN 122 Cb 0.64 -0.37 0.03 0.00 -1.02 0.00 0.00 39.78 39.06 1mti n ASN 122 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1mti n PHE 123 N 0.58 1.66 -0.38 3.10 7.35 -0.16 -4.63 117.46 124.98 1mti n PHE 123 Ca 0.17 -2.66 0.00 0.00 -0.76 0.00 0.00 57.45 54.20 1mti n PHE 123 Cb 0.60 -0.29 0.00 0.00 0.35 0.00 0.00 39.48 40.13 1mti n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mti n GLY 124 N -0.30 -2.74 0.23 7.13 0.00 -1.25 -4.65 105.19 103.61 1mti n GLY 124 Ca 0.16 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 1mti n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mti h ALA 125 N -2.00 0.64 0.02 4.61 0.00 -1.99 -0.44 119.26 120.11 1mti h ALA 125 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1mti h ALA 125 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1mti h ALA 125 CO 0.00 0.24 -0.01 -0.44 0.00 0.00 0.00 179.25 179.04 1mti h ASP 126 N 0.66 -0.03 0.04 0.00 3.32 -1.99 -0.13 116.42 118.29 1mti h ASP 126 Ca 0.17 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1mti h ASP 126 Cb 0.19 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1mti h ASP 126 CO -0.01 0.16 -0.05 0.00 -1.72 0.00 0.00 179.24 177.61 1mti h ALA 127 N 0.76 1.86 -0.07 3.45 0.00 -1.87 0.36 119.26 123.76 1mti h ALA 127 Ca -0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1mti h ALA 127 Cb 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1mti h ALA 127 CO 0.01 0.11 -0.75 0.37 0.00 0.00 0.00 179.25 178.99 1mti h GLN 128 N 0.04 0.38 -0.30 0.00 4.15 -0.68 0.15 115.11 118.86 1mti h GLN 128 Ca 0.01 -0.32 -0.09 0.00 0.77 0.00 0.00 58.65 59.01 1mti h GLN 128 Cb 0.13 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1mti h GLN 128 CO 0.01 0.97 -0.17 0.78 -1.93 0.00 0.00 178.83 178.48 1mti h GLY 129 N 1.32 0.71 1.42 2.39 0.00 -0.46 0.04 103.07 108.49 1mti h GLY 129 Ca -0.03 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.58 1mti h GLY 129 CO 0.13 0.60 0.04 0.00 0.00 0.00 0.00 176.54 177.30 1mti h ALA 130 N 0.75 1.22 -0.39 3.60 0.00 -0.48 -1.43 119.26 122.52 1mti h ALA 130 Ca 0.06 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1mti h ALA 130 Cb 0.71 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1mti h ALA 130 CO 0.05 0.52 -0.06 1.98 0.00 0.00 0.00 179.25 181.74 1mti h MET 131 N 0.68 0.74 -0.79 0.00 -1.53 -0.42 -1.29 114.93 112.33 1mti h MET 131 Ca 0.14 -0.26 -0.01 0.00 -3.44 0.00 0.00 59.70 56.13 1mti h MET 131 Cb 0.37 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 31.33 1mti h MET 131 CO 0.01 0.86 0.46 -0.97 0.14 0.00 0.00 176.91 177.40 1mti h ASN 132 N 0.55 0.96 -0.73 1.39 -1.24 -0.94 -0.04 115.58 115.53 1mti h ASN 132 Ca 0.10 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 1mti h ASN 132 Cb 0.56 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.34 1mti h ASN 132 CO 0.03 0.76 0.34 0.11 -1.29 0.00 0.00 177.43 177.38 1mti h LYS 133 N 1.08 1.08 -0.29 6.67 1.57 -0.88 0.78 116.57 126.58 1mti h LYS 133 Ca 0.28 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 1mti h LYS 133 Cb -0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1mti h LYS 133 CO -0.05 0.85 -0.37 0.00 -0.57 0.00 0.00 179.45 179.31 1mti h ALA 134 N 1.30 0.81 0.03 3.86 0.00 -0.77 0.71 119.26 125.20 1mti h ALA 134 Ca 0.26 -0.43 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 1mti h ALA 134 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1mti h ALA 134 CO -0.03 0.65 -1.01 -0.07 0.00 0.00 0.00 179.25 178.79 1mti h LEU 135 N 0.55 0.12 -0.49 0.00 3.38 -0.80 -1.28 115.31 116.78 1mti h LEU 135 Ca 0.05 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1mti h LEU 135 Cb 0.89 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1mti h LEU 135 CO 0.08 1.05 0.07 -0.33 0.09 0.00 0.00 178.44 179.40 1mti h GLU 136 N 0.03 0.81 0.10 1.13 5.08 -0.71 -0.77 114.58 120.24 1mti h GLU 136 Ca -0.04 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1mti h GLU 136 Cb 1.73 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.87 1mti h GLU 136 CO 0.14 0.81 -0.17 1.25 -1.00 0.00 0.00 179.01 180.04 1mti h LEU 137 N 0.68 -0.47 -0.69 1.33 5.85 -0.70 -0.56 115.31 120.75 1mti h LEU 137 Ca 0.15 0.05 0.15 0.00 0.84 0.00 0.00 57.88 59.07 1mti h LEU 137 Cb 0.40 0.18 -0.12 0.00 0.37 0.00 0.00 40.66 41.48 1mti h LEU 137 CO 0.01 -0.25 -0.06 0.15 -0.34 0.00 0.00 178.44 177.96 1mti h PHE 138 N -0.33 -0.16 -0.55 1.25 3.57 -0.95 -1.65 116.94 118.11 1mti h PHE 138 Ca 0.02 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1mti h PHE 138 Cb 0.35 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1mti h PHE 138 CO -0.17 -0.24 0.15 0.00 -2.23 0.00 0.00 178.31 175.82 1mti h ARG 139 N 0.07 0.86 -0.32 1.11 3.08 -0.86 0.34 114.38 118.67 1mti h ARG 139 Ca 0.36 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1mti h ARG 139 Cb 0.59 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1mti h ARG 139 CO -0.64 0.80 0.11 -0.22 -1.07 0.00 0.00 179.97 178.95 1mti h LYS 140 N 0.77 0.48 -0.21 0.04 3.64 -0.94 0.06 116.57 120.41 1mti h LYS 140 Ca 0.17 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1mti h LYS 140 Cb 0.31 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1mti h LYS 140 CO -0.00 0.51 -0.30 -0.44 -2.27 0.00 0.00 179.45 176.95 1mti h ASP 141 N 0.36 0.43 -0.28 4.20 5.19 -1.07 -2.01 116.42 123.25 1mti h ASP 141 Ca 0.10 -0.16 -0.06 0.00 -0.62 0.00 0.00 57.03 56.30 1mti h ASP 141 Cb 0.22 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1mti h ASP 141 CO -0.01 0.72 -0.06 0.40 -3.12 0.00 0.00 179.24 177.17 1mti h ILE 142 N 0.37 1.28 -0.05 0.35 1.08 -0.79 -2.17 117.51 117.58 1mti h ILE 142 Ca 0.05 -1.08 0.01 0.00 -0.39 0.00 0.00 64.86 63.45 1mti h ILE 142 Cb 0.72 1.42 -0.00 0.00 -3.07 0.00 0.00 36.82 35.88 1mti h ILE 142 CO 0.05 0.34 0.04 0.00 -0.69 0.00 0.00 178.15 177.89 1mti h ALA 143 N 0.78 2.01 -0.00 1.87 0.00 -0.82 0.90 119.26 124.00 1mti h ALA 143 Ca 0.07 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1mti h ALA 143 Cb 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1mti h ALA 143 CO 0.03 -0.02 -0.73 0.00 0.00 0.00 0.00 179.25 178.53 1mti h ALA 144 N 1.97 0.80 0.12 0.00 0.00 -1.07 -2.10 119.26 118.97 1mti h ALA 144 Ca 0.02 -0.66 -0.28 0.00 0.00 0.00 0.00 54.91 53.99 1mti h ALA 144 Cb 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1mti h ALA 144 CO -0.00 0.91 -1.21 0.87 0.00 0.00 0.00 179.25 179.81 1mti h LYS 145 N 0.00 0.39 -0.90 0.00 6.56 -0.72 -2.69 116.57 119.21 1mti h LYS 145 Ca -0.01 -0.58 0.03 0.00 -1.06 0.00 0.00 60.65 59.04 1mti h LYS 145 Cb 1.29 0.20 -0.05 0.00 -0.57 0.00 0.00 32.23 33.10 1mti h LYS 145 CO 0.10 1.25 0.58 1.88 -2.06 0.00 0.00 179.45 181.20 1mti h TYR 146 N 0.15 1.09 -0.23 -1.35 -1.99 -0.52 0.15 116.97 114.27 1mti h TYR 146 Ca -0.15 0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.49 1mti h TYR 146 Cb 1.91 -0.36 -0.01 0.00 2.00 0.00 0.00 36.73 40.26 1mti h TYR 146 CO 0.08 0.63 -0.38 -0.22 -0.00 0.00 0.00 178.16 178.27 1mti h LYS 147 N 1.13 0.52 -0.10 4.88 3.64 -1.15 -0.47 116.57 125.02 1mti h LYS 147 Ca 0.36 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1mti h LYS 147 Cb 0.01 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1mti h LYS 147 CO -0.12 0.82 -0.36 0.93 -2.27 0.00 0.00 179.45 178.45 1mti h GLU 148 N 0.44 0.20 -0.00 1.90 5.08 -0.96 0.40 114.58 121.63 1mti h GLU 148 Ca 0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1mti h GLU 148 Cb 0.86 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1mti h GLU 148 CO 0.07 0.54 -0.09 1.28 -1.00 0.00 0.00 179.01 179.81 1mti n LEU 149 N -4.07 0.19 0.00 1.33 4.77 -0.06 -4.91 117.00 114.24 1mti n LEU 149 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1mti n LEU 149 Cb 0.43 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1mti n LEU 149 CO 0.41 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1mti n GLY 150 N 1.37 0.81 0.09 -0.72 0.00 0.13 -5.00 105.19 101.88 1mti n GLY 150 Ca 0.11 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 1mti n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1mti n TYR 151 N -2.34 0.00 -3.74 1.61 9.36 -0.32 -5.01 117.16 116.72 1mti n TYR 151 Ca 0.00 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.09 1mti n TYR 151 Cb 0.00 -0.34 0.00 0.00 -0.63 0.00 0.00 39.34 38.37 1mti n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1mti n GLN 152 N -2.81 -0.85 0.00 2.98 0.00 -1.14 -4.89 117.38 110.67 1mti n GLN 152 Ca -0.16 -0.33 0.14 0.00 -0.00 0.00 0.00 57.00 56.65 1mti n GLN 152 Cb 0.66 -0.07 0.45 0.00 0.00 0.00 0.00 30.24 31.28 1mti n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47