#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vml s GLN 2 N 0.00 2.30 0.50 2.12 -1.52 -1.26 -5.07 119.66 116.74 2vml s GLN 2 Ca 0.00 -1.12 0.02 0.00 -1.95 0.00 0.00 55.36 52.31 2vml s GLN 2 Cb 0.00 -2.32 -0.02 0.00 -0.22 0.00 0.00 33.01 30.45 2vml s GLN 2 CO 0.00 0.46 0.02 0.16 -0.25 0.00 0.00 175.29 175.68 2vml s ASP 3 N -2.79 4.13 0.36 5.90 1.47 -1.26 -4.63 116.67 119.84 2vml s ASP 3 Ca 0.26 -1.60 0.10 0.00 1.18 0.00 0.00 52.55 52.49 2vml s ASP 3 Cb -0.10 0.41 0.84 0.00 -0.34 0.00 0.00 42.92 43.73 2vml s ASP 3 CO 0.17 -0.82 1.85 0.00 0.68 0.00 0.00 175.17 177.06 2vml h ALA 4 N 1.37 1.86 -0.07 2.11 0.00 -1.30 0.35 119.26 123.59 2vml h ALA 4 Ca -0.44 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 2vml h ALA 4 Cb 1.31 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2vml h ALA 4 CO 0.74 -0.13 -0.64 0.74 0.00 0.00 0.00 179.25 179.97 2vml h PHE 5 N 0.67 0.78 -0.48 0.00 0.04 -1.94 -3.08 116.94 112.93 2vml h PHE 5 Ca 0.47 -0.37 -0.11 0.00 2.80 0.00 0.00 57.97 60.76 2vml h PHE 5 Cb 0.81 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.84 2vml h PHE 5 CO -0.00 1.18 -0.13 1.15 -0.60 0.00 0.00 178.31 179.90 2vml h THR 6 N 0.16 1.27 -0.63 -1.55 2.02 -1.84 -2.32 112.91 110.00 2vml h THR 6 Ca -0.06 -1.26 0.04 0.00 0.77 0.00 0.00 66.41 65.91 2vml h THR 6 Cb 1.30 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 2vml h THR 6 CO 0.13 0.44 0.36 0.50 0.37 0.00 0.00 175.52 177.32 2vml h LYS 7 N 0.81 0.67 -0.42 6.66 3.64 -1.01 -1.69 116.57 125.22 2vml h LYS 7 Ca 0.13 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2vml h LYS 7 Cb 0.67 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2vml h LYS 7 CO 0.05 0.45 0.02 0.00 -2.27 0.00 0.00 179.45 177.69 2vml h ALA 8 N 1.31 0.56 -0.57 5.00 0.00 -1.40 -2.87 119.26 121.29 2vml h ALA 8 Ca 0.27 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2vml h ALA 8 Cb 0.11 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2vml h ALA 8 CO -0.15 0.33 0.31 0.82 0.00 0.00 0.00 179.25 180.56 2vml h ILE 9 N 0.57 0.98 -0.74 0.00 2.04 -1.26 -0.26 117.51 118.83 2vml h ILE 9 Ca 0.12 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.79 2vml h ILE 9 Cb 0.46 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2vml h ILE 9 CO 0.02 0.11 0.49 0.58 0.00 0.00 0.00 178.15 179.34 2vml h VAL 10 N 0.60 1.17 -0.38 1.67 2.07 -1.27 -0.42 116.25 119.69 2vml h VAL 10 Ca 0.25 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 2vml h VAL 10 Cb 0.12 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2vml h VAL 10 CO -0.15 0.18 -0.16 0.00 0.02 0.00 0.00 177.57 177.45 2vml h ALA 11 N 1.28 0.53 -0.37 1.67 0.00 -1.25 -2.54 119.26 118.58 2vml h ALA 11 Ca 0.28 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2vml h ALA 11 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2vml h ALA 11 CO -0.07 0.45 -0.12 0.00 0.00 0.00 0.00 179.25 179.51 2vml h ALA 12 N 0.81 1.10 -0.71 0.00 0.00 -0.87 -2.80 119.26 116.79 2vml h ALA 12 Ca 0.09 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2vml h ALA 12 Cb 0.71 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2vml h ALA 12 CO 0.05 0.56 0.16 0.22 0.00 0.00 0.00 179.25 180.24 2vml h ASP 13 N 0.59 1.09 0.36 0.00 3.58 -0.99 -0.41 116.42 120.65 2vml h ASP 13 Ca 0.10 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 2vml h ASP 13 Cb 0.55 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 2vml h ASP 13 CO 0.03 1.05 -0.07 -0.07 -2.88 0.00 0.00 179.24 177.30 2vml h LEU 14 N 1.08 0.00 -0.36 2.28 3.38 -1.19 0.29 115.31 120.78 2vml h LEU 14 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2vml h LEU 14 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2vml h LEU 14 CO 0.01 0.07 -0.17 0.54 0.09 0.00 0.00 178.44 178.97 2vml n ARG 15 N -3.48 0.77 -2.13 1.13 1.74 -1.02 -4.96 116.66 108.71 2vml n ARG 15 Ca -0.02 -0.36 -0.13 0.00 -0.77 0.00 0.00 57.85 56.57 2vml n ARG 15 Cb 0.20 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 2vml n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2vml n GLY 16 N 1.31 0.04 3.32 -0.13 0.00 0.10 -5.00 105.19 104.83 2vml n GLY 16 Ca 0.13 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 2vml n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vml s SER 17 N -2.47 2.84 0.68 1.61 0.01 -0.21 -5.00 113.70 111.16 2vml s SER 17 Ca 0.00 -0.69 -0.17 0.00 1.31 0.00 0.00 55.95 56.41 2vml s SER 17 Cb 0.00 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.06 2vml s SER 17 CO 0.00 0.12 1.23 -0.36 0.41 0.00 0.00 173.24 174.65 2vml s PHE 18 N -1.07 2.11 0.35 2.43 0.08 -1.26 -4.21 117.98 116.42 2vml s PHE 18 Ca 0.09 1.55 -0.28 0.00 0.12 0.00 0.00 56.93 58.41 2vml s PHE 18 Cb -0.10 -3.54 -0.12 0.00 -0.57 0.00 0.00 43.02 38.69 2vml s PHE 18 CO 0.04 -2.64 1.39 1.28 -0.10 0.00 0.00 175.22 175.20 2vml n LEU 19 N -2.28 4.05 -4.85 -0.37 4.77 -1.26 -4.99 117.00 112.06 2vml n LEU 19 Ca 0.14 1.21 -0.30 0.00 -0.03 0.00 0.00 56.01 57.03 2vml n LEU 19 Cb 0.49 -1.54 0.05 0.00 -2.33 0.00 0.00 43.42 40.10 2vml n LEU 19 CO 0.47 -0.20 0.73 -0.94 -1.33 0.00 0.00 177.39 176.12 2vml s SER 20 N -0.15 5.29 0.21 -1.43 1.04 -1.26 -4.88 113.70 112.52 2vml s SER 20 Ca 0.56 1.28 -0.10 0.00 0.48 0.00 0.00 55.95 58.17 2vml s SER 20 Cb -0.53 -2.10 0.29 0.00 0.10 0.00 0.00 66.02 63.78 2vml s SER 20 CO 0.61 -1.46 1.72 -0.08 0.98 0.00 0.00 173.24 175.01 2vml h GLU 21 N -0.73 0.30 -0.44 4.02 4.57 -1.98 0.29 114.58 120.60 2vml h GLU 21 Ca -0.45 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.72 2vml h GLU 21 Cb 1.24 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 2vml h GLU 21 CO 0.62 0.20 0.29 0.37 -1.18 0.00 0.00 179.01 179.30 2vml h GLN 22 N 0.31 0.57 -0.43 1.92 -0.00 -1.99 -0.25 115.11 115.23 2vml h GLN 22 Ca 0.32 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.65 58.88 2vml h GLN 22 Cb 0.45 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.78 2vml h GLN 22 CO -0.37 0.38 0.09 0.93 0.00 0.00 0.00 178.83 179.85 2vml h GLU 23 N 0.59 0.70 -0.15 1.69 5.08 -1.80 -2.56 114.58 118.13 2vml h GLU 23 Ca 0.17 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2vml h GLU 23 Cb -0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2vml h GLU 23 CO -0.04 0.72 0.03 -0.07 -1.00 0.00 0.00 179.01 178.65 2vml h LEU 24 N 0.57 0.19 0.16 1.33 3.38 -0.52 -2.44 115.31 117.97 2vml h LEU 24 Ca 0.13 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.79 2vml h LEU 24 Cb 0.35 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.08 2vml h LEU 24 CO 0.01 0.20 -1.33 0.78 0.09 0.00 0.00 178.44 178.19 2vml h ASN 25 N 0.21 0.71 -0.92 -0.43 4.21 -0.82 0.18 115.58 118.72 2vml h ASN 25 Ca 0.05 -0.72 0.07 0.00 1.21 0.00 0.00 56.30 56.91 2vml h ASN 25 Cb 0.09 -0.23 -0.06 0.00 -1.12 0.00 0.00 38.32 37.00 2vml h ASN 25 CO -0.00 1.55 0.58 1.56 -1.29 0.00 0.00 177.43 179.83 2vml h GLN 26 N 0.16 1.02 -0.20 0.81 4.20 -1.36 -1.29 115.11 118.45 2vml h GLN 26 Ca -0.19 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.25 2vml h GLN 26 Cb 2.02 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 29.57 2vml h GLN 26 CO 0.24 0.67 -0.69 -0.07 -0.67 0.00 0.00 178.83 178.32 2vml h LEU 27 N 1.05 0.92 -0.67 1.46 3.38 -1.26 -2.42 115.31 117.77 2vml h LEU 27 Ca 0.40 -0.56 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2vml h LEU 27 Cb 0.19 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 2vml h LEU 27 CO -0.18 1.36 0.37 0.74 0.09 0.00 0.00 178.44 180.82 2vml h THR 28 N 0.57 0.97 -0.85 0.22 2.02 -0.51 -1.97 112.91 113.36 2vml h THR 28 Ca -0.03 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 2vml h THR 28 Cb 1.31 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2vml h THR 28 CO 0.14 0.13 0.45 -1.13 0.37 0.00 0.00 175.52 175.48 2vml h ASN 29 N 0.69 1.07 -0.48 4.18 -0.73 -1.20 -1.08 115.58 118.03 2vml h ASN 29 Ca 0.30 -0.10 -0.03 0.00 1.87 0.00 0.00 56.30 58.34 2vml h ASN 29 Cb 0.19 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.49 2vml h ASN 29 CO -0.18 0.87 0.19 0.25 -0.37 0.00 0.00 177.43 178.19 2vml h LEU 30 N 1.19 0.67 -0.66 0.34 6.46 -1.12 -0.25 115.31 121.94 2vml h LEU 30 Ca 0.30 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2vml h LEU 30 Cb 0.05 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 2vml h LEU 30 CO -0.04 0.65 0.43 0.58 -0.62 0.00 0.00 178.44 179.44 2vml h VAL 31 N 0.64 1.17 -0.86 1.05 2.07 -1.18 -1.11 116.25 118.04 2vml h VAL 31 Ca 0.16 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2vml h VAL 31 Cb 0.19 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 2vml h VAL 31 CO -0.01 0.17 0.57 0.50 0.02 0.00 0.00 177.57 178.81 2vml h LYS 32 N 0.89 1.12 -0.08 1.57 3.64 -0.78 -2.51 116.57 120.42 2vml h LYS 32 Ca 0.24 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2vml h LYS 32 Cb -0.09 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.48 2vml h LYS 32 CO -0.05 0.74 0.00 0.39 -2.27 0.00 0.00 179.45 178.26 2vml n GLU 33 N -4.50 1.57 0.23 1.90 -0.58 -0.14 -4.47 120.64 114.66 2vml n GLU 33 Ca 0.09 -0.85 0.08 0.00 -0.42 0.00 0.00 57.16 56.06 2vml n GLU 33 Cb 0.02 -1.43 0.56 0.00 -0.57 0.00 0.00 31.44 30.03 2vml n GLU 33 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2vml h SER 34 N 1.87 0.00 -0.38 1.62 4.64 -0.74 -2.32 113.55 118.25 2vml h SER 34 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2vml h SER 34 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2vml h SER 34 CO 0.00 0.20 -0.14 0.78 -0.87 0.00 0.00 176.83 176.80 2vml h ASN 35 N 0.00 0.77 -0.89 4.97 2.35 -1.80 -0.53 115.58 120.45 2vml h ASN 35 Ca -0.00 -0.39 0.02 0.00 -0.55 0.00 0.00 56.30 55.38 2vml h ASN 35 Cb 0.43 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 2vml h ASN 35 CO 0.03 0.99 0.58 0.11 -1.65 0.00 0.00 177.43 177.48 2vml h LYS 36 N 0.56 1.12 -0.73 0.81 1.57 -1.78 -1.47 116.57 116.65 2vml h LYS 36 Ca 0.09 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2vml h LYS 36 Cb 0.67 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 2vml h LYS 36 CO 0.05 0.74 0.43 -0.09 -0.57 0.00 0.00 179.45 180.01 2vml h ARG 37 N 1.16 1.00 -0.67 3.15 2.43 -1.13 -0.79 114.38 119.51 2vml h ARG 37 Ca 0.34 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 2vml h ARG 37 Cb -0.06 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 2vml h ARG 37 CO -0.10 0.71 0.17 -0.07 -1.51 0.00 0.00 179.97 179.18 2vml h LEU 38 N 1.00 1.02 -0.66 3.80 3.38 -0.73 -1.12 115.31 122.00 2vml h LEU 38 Ca 0.26 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2vml h LEU 38 Cb -0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2vml h LEU 38 CO -0.05 0.98 0.40 0.44 0.09 0.00 0.00 178.44 180.30 2vml h ASP 39 N 1.00 0.79 -0.32 -0.43 3.32 -1.03 -0.30 116.42 119.45 2vml h ASP 39 Ca 0.21 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2vml h ASP 39 Cb 0.35 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2vml h ASP 39 CO 0.00 0.62 0.15 0.00 -1.72 0.00 0.00 179.24 178.29 2vml h ALA 40 N 1.21 0.41 -0.49 3.45 0.00 -0.92 0.79 119.26 123.70 2vml h ALA 40 Ca 0.24 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2vml h ALA 40 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2vml h ALA 40 CO -0.04 -0.02 0.16 0.28 0.00 0.00 0.00 179.25 179.63 2vml h VAL 41 N 0.38 1.22 -0.59 0.00 2.07 -1.15 -2.86 116.25 115.32 2vml h VAL 41 Ca 0.11 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 66.94 2vml h VAL 41 Cb 0.13 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2vml h VAL 41 CO -0.01 0.27 0.39 -1.13 0.02 0.00 0.00 177.57 177.11 2vml h ASN 42 N 0.66 0.55 -0.63 0.57 -1.24 -0.84 -1.93 115.58 112.73 2vml h ASN 42 Ca 0.16 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.12 2vml h ASN 42 Cb 0.26 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 2vml h ASN 42 CO -0.01 0.37 0.21 0.00 -1.29 0.00 0.00 177.43 176.71 2vml h ALA 43 N 1.67 1.14 0.04 1.57 0.00 -0.61 -1.12 119.26 121.94 2vml h ALA 43 Ca 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vml h ALA 43 Cb 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2vml h ALA 43 CO -0.07 0.60 -0.02 0.82 0.00 0.00 0.00 179.25 180.58 2vml h ILE 44 N 0.96 1.35 -0.52 0.00 2.04 -1.36 -3.14 117.51 116.85 2vml h ILE 44 Ca 0.22 -1.36 0.03 0.00 1.00 0.00 0.00 64.86 64.74 2vml h ILE 44 Cb 0.26 2.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 2vml h ILE 44 CO -0.01 0.34 0.30 0.74 0.00 0.00 0.00 178.15 179.52 2vml h THR 45 N -0.66 1.03 0.00 -0.27 2.02 -1.37 -0.86 112.91 112.79 2vml h THR 45 Ca -0.01 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2vml h THR 45 Cb 0.59 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2vml h THR 45 CO 0.01 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.62 2vml n GLY 46 N -1.24 -1.29 0.63 2.16 0.00 -0.43 -3.26 105.19 101.76 2vml n GLY 46 Ca 0.04 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.16 2vml n GLY 46 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vml n ASN 47 N -2.13 1.27 -0.01 1.61 5.03 -0.97 -4.91 115.26 115.15 2vml n ASN 47 Ca 0.03 -2.74 -0.11 0.00 0.87 0.00 0.00 54.58 52.62 2vml n ASN 47 Cb 0.25 -0.36 -0.05 0.00 -1.02 0.00 0.00 39.78 38.59 2vml n ASN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2vml h ALA 48 N 0.45 0.13 -0.79 5.41 0.00 -1.15 -1.14 119.26 122.19 2vml h ALA 48 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2vml h ALA 48 Cb 1.31 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2vml h ALA 48 CO 0.02 -0.35 0.49 0.00 0.00 0.00 0.00 179.25 179.42 2vml h ALA 49 N 0.99 1.00 -0.01 0.00 0.00 -1.87 -2.28 119.26 117.09 2vml h ALA 49 Ca 0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2vml h ALA 49 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2vml h ALA 49 CO -0.01 0.45 -0.64 1.49 0.00 0.00 0.00 179.25 180.54 2vml h GLU 50 N 1.08 0.06 -0.48 0.00 4.57 -1.89 -1.07 114.58 116.83 2vml h GLU 50 Ca 0.29 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.39 2vml h GLU 50 Cb -0.07 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 2vml h GLU 50 CO -0.06 0.68 0.15 0.82 -1.18 0.00 0.00 179.01 179.42 2vml h ILE 51 N 0.04 1.23 -0.24 2.32 2.04 -0.81 -0.25 117.51 121.84 2vml h ILE 51 Ca -0.01 -0.75 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 2vml h ILE 51 Cb 1.14 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2vml h ILE 51 CO 0.09 0.27 -0.12 0.40 0.00 0.00 0.00 178.15 178.79 2vml h ILE 52 N 0.65 1.30 -0.25 -0.67 2.04 -1.33 -2.62 117.51 116.63 2vml h ILE 52 Ca 0.16 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 2vml h ILE 52 Cb 0.27 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2vml h ILE 52 CO -0.01 0.37 0.09 -1.28 0.00 0.00 0.00 178.15 177.32 2vml h SER 53 N 0.22 0.36 -0.43 1.72 0.87 -1.17 0.66 113.55 115.79 2vml h SER 53 Ca 0.05 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 2vml h SER 53 Cb 0.62 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2vml h SER 53 CO 0.04 0.45 0.14 -0.78 -0.53 0.00 0.00 176.83 176.15 2vml h ASP 54 N 0.24 0.62 -0.48 6.23 3.58 -1.11 -1.05 116.42 124.45 2vml h ASP 54 Ca 0.08 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 2vml h ASP 54 Cb 0.22 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2vml h ASP 54 CO -0.00 0.65 0.28 0.00 -2.88 0.00 0.00 179.24 177.29 2vml h ALA 55 N 0.99 0.61 -0.12 -0.78 0.00 -1.45 -2.36 119.26 116.15 2vml h ALA 55 Ca 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2vml h ALA 55 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2vml h ALA 55 CO -0.01 0.12 0.07 0.00 0.00 0.00 0.00 179.25 179.43 2vml h ALA 56 N 1.12 0.16 -0.36 0.00 0.00 -0.70 -0.60 119.26 118.88 2vml h ALA 56 Ca 0.17 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2vml h ALA 56 Cb 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2vml h ALA 56 CO -0.03 -0.31 -0.02 0.45 0.00 0.00 0.00 179.25 179.35 2vml h HIS 57 N 0.10 -0.05 -0.61 0.00 -0.00 -1.16 -1.97 115.15 111.46 2vml h HIS 57 Ca 0.04 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.40 2vml h HIS 57 Cb 0.07 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.53 2vml h HIS 57 CO -0.04 -0.08 0.22 0.87 -0.00 0.00 0.00 177.93 178.89 2vml h LYS 58 N 0.08 0.94 -0.80 2.45 1.57 -1.31 -2.38 116.57 117.12 2vml h LYS 58 Ca 0.17 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2vml h LYS 58 Cb 0.25 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2vml h LYS 58 CO -0.31 0.82 0.50 1.25 -0.57 0.00 0.00 179.45 181.14 2vml h LEU 59 N 0.87 0.95 0.00 2.94 5.85 -0.64 -2.06 115.31 123.22 2vml h LEU 59 Ca 0.20 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2vml h LEU 59 Cb 0.25 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2vml h LEU 59 CO -0.01 0.72 -0.07 0.49 -0.34 0.00 0.00 178.44 179.23 2vml n PHE 60 N -4.48 0.37 0.06 1.25 3.72 -0.78 -0.59 117.46 117.00 2vml n PHE 60 Ca 0.08 0.11 -0.14 0.00 -0.05 0.00 0.00 57.45 57.44 2vml n PHE 60 Cb 0.04 -0.65 -0.14 0.00 -0.94 0.00 0.00 39.48 37.80 2vml n PHE 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2vml h ALA 61 N 2.80 0.30 0.05 4.37 0.00 -1.12 -3.25 119.26 122.41 2vml h ALA 61 Ca 0.00 -1.07 -0.25 0.00 0.00 0.00 0.00 54.91 53.60 2vml h ALA 61 Cb 0.60 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2vml h ALA 61 CO 0.00 1.17 -1.19 1.49 0.00 0.00 0.00 179.25 180.71 2vml h GLU 62 N 0.05 0.10 -2.59 0.00 4.81 -1.22 -3.40 114.58 112.33 2vml h GLU 62 Ca -0.19 -0.17 -0.60 0.00 -0.13 0.00 0.00 59.36 58.27 2vml h GLU 62 Cb 1.97 0.06 -0.40 0.00 0.63 0.00 0.00 28.75 31.01 2vml h GLU 62 CO 0.16 1.02 -0.80 1.04 -0.73 0.00 0.00 179.01 179.69 2vml n GLN 63 N -3.38 1.07 0.18 1.92 6.02 0.24 -4.94 117.38 118.50 2vml n GLN 63 Ca -0.06 -3.81 0.14 0.00 -0.01 0.00 0.00 57.00 53.26 2vml n GLN 63 Cb 0.98 -1.91 0.57 0.00 1.02 0.00 0.00 30.24 30.90 2vml n GLN 63 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2vml h THR 64 N 4.16 0.00 -0.01 5.09 1.35 -1.78 -2.77 112.91 118.95 2vml h THR 64 Ca 0.20 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2vml h THR 64 Cb 0.82 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2vml h THR 64 CO 0.55 0.00 0.01 -2.24 -0.25 0.00 0.00 175.52 173.60 2vml h ASP 65 N 0.00 0.00 1.14 5.36 2.03 -1.92 -2.87 116.42 120.16 2vml h ASP 65 Ca 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 2vml h ASP 65 Cb 0.40 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.89 2vml h ASP 65 CO 0.00 0.00 -0.25 -0.07 -1.03 0.00 0.00 179.24 177.89 2vml h LEU 66 N 0.00 0.00 -3.22 0.15 3.38 -1.86 -3.20 115.31 110.56 2vml h LEU 66 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2vml h LEU 66 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2vml h LEU 66 CO -0.00 0.25 0.00 2.30 0.09 0.00 0.00 178.44 181.08 2vml n ILE 67 N -3.32 2.16 -4.11 1.22 -5.35 -1.09 -1.03 119.36 107.85 2vml n ILE 67 Ca 0.01 -1.81 -0.25 0.00 -0.27 0.00 0.00 62.75 60.43 2vml n ILE 67 Cb 0.49 -0.18 -0.05 0.00 -1.74 0.00 0.00 39.64 38.15 2vml n ILE 67 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2vml s ARG 68 N -2.66 2.86 0.16 6.28 0.52 -1.21 -4.93 118.95 119.98 2vml s ARG 68 Ca 0.40 -0.96 -0.34 0.00 -0.52 0.00 0.00 55.73 54.32 2vml s ARG 68 Cb 0.32 -2.59 -0.15 0.00 0.52 0.00 0.00 34.95 33.05 2vml s ARG 68 CO 0.09 0.45 1.29 -2.30 0.02 0.00 0.00 175.30 174.86 2vml n PRO 69 N -0.61 1.42 0.00 3.54 -0.02 -1.26 -0.40 135.00 137.67 2vml n PRO 69 Ca -0.08 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2vml n PRO 69 Cb 0.56 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2vml n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vml n GLY 70 N 2.31 2.73 3.88 -1.23 0.00 -1.26 -5.07 105.19 106.55 2vml n GLY 70 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2vml n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vml s GLY 71 N -2.46 1.91 0.00 -0.02 0.00 0.47 -5.00 107.32 102.22 2vml s GLY 71 Ca 0.00 -0.25 0.31 0.00 0.00 0.00 0.00 44.72 44.78 2vml s GLY 71 CO 0.00 -0.06 2.09 -2.01 0.00 0.00 0.00 173.10 173.11 2vml n ASN 72 N -1.34 0.24 -1.01 1.64 2.85 -1.22 -2.34 115.26 114.07 2vml n ASN 72 Ca 0.02 -0.82 -0.00 0.00 -0.11 0.00 0.00 54.58 53.67 2vml n ASN 72 Cb 0.54 -0.07 0.21 0.00 1.24 0.00 0.00 39.78 41.70 2vml n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2vml n ALA 73 N -0.92 3.87 -2.64 5.20 0.00 -0.20 -4.61 120.51 121.21 2vml n ALA 73 Ca 0.20 -2.94 -0.20 0.00 0.00 0.00 0.00 53.44 50.50 2vml n ALA 73 Cb 0.19 -0.69 -0.15 0.00 0.00 0.00 0.00 19.45 18.80 2vml n ALA 73 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2vml s TYR 74 N -3.14 0.99 0.00 0.00 5.04 -0.99 -3.60 117.35 115.66 2vml s TYR 74 Ca 0.43 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 2vml s TYR 74 Cb 0.38 -0.63 0.00 0.00 0.35 0.00 0.00 41.96 42.06 2vml s TYR 74 CO 0.02 -0.01 0.00 -0.35 -1.34 0.00 0.00 175.55 173.86 2vml n PRO 75 N 2.75 2.81 -0.25 4.97 -0.04 -1.26 -4.64 135.00 139.35 2vml n PRO 75 Ca -0.14 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.43 2vml n PRO 75 Cb 0.56 0.00 0.37 0.00 -0.04 0.00 0.00 33.50 34.39 2vml n PRO 75 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2vml h ASN 76 N 0.00 0.65 -0.79 3.54 2.35 -2.00 -2.05 115.58 117.29 2vml h ASN 76 Ca 0.00 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2vml h ASN 76 Cb 0.00 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 2vml h ASN 76 CO 0.00 0.36 0.43 -0.09 -1.65 0.00 0.00 177.43 176.48 2vml h ARG 77 N 0.71 1.10 -0.06 0.81 2.43 -1.94 -0.49 114.38 116.93 2vml h ARG 77 Ca 0.41 -0.13 -0.23 0.00 -0.81 0.00 0.00 59.98 59.22 2vml h ARG 77 Cb 0.60 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2vml h ARG 77 CO -0.17 0.81 -0.90 0.00 -1.51 0.00 0.00 179.97 178.19 2vml h ARG 78 N 1.09 0.62 -0.31 0.20 3.08 -1.71 -2.23 114.38 115.13 2vml h ARG 78 Ca 0.28 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.74 2vml h ARG 78 Cb 0.03 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2vml h ARG 78 CO -0.04 1.20 0.20 1.98 -1.07 0.00 0.00 179.97 182.23 2vml h MET 79 N 0.38 0.41 -0.59 0.04 4.05 -1.28 -0.40 114.93 117.55 2vml h MET 79 Ca -0.08 -0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.36 2vml h MET 79 Cb 1.53 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 32.19 2vml h MET 79 CO 0.17 0.29 0.30 0.00 0.23 0.00 0.00 176.91 177.91 2vml h ALA 80 N 1.09 0.77 -0.84 0.39 0.00 -1.11 -0.64 119.26 118.92 2vml h ALA 80 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2vml h ALA 80 Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2vml h ALA 80 CO -0.02 -0.04 0.54 0.00 0.00 0.00 0.00 179.25 179.72 2vml h ALA 81 N 1.32 1.06 0.01 0.00 0.00 -1.18 -0.97 119.26 119.50 2vml h ALA 81 Ca 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2vml h ALA 81 Cb 0.18 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2vml h ALA 81 CO -0.18 0.49 -0.00 0.00 0.00 0.00 0.00 179.25 179.55 2vml h LEU 83 N -0.15 0.79 -0.75 0.00 3.38 -1.02 -2.44 115.31 115.12 2vml h LEU 83 Ca -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2vml h LEU 83 Cb 0.15 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2vml h LEU 83 CO 0.00 0.69 0.40 -0.09 0.09 0.00 0.00 178.44 179.53 2vml h ARG 84 N 0.87 1.05 -0.92 1.13 2.43 -1.03 -2.56 114.38 115.36 2vml h ARG 84 Ca 0.21 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2vml h ARG 84 Cb 0.12 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 2vml h ARG 84 CO -0.03 0.79 0.56 -0.44 -1.51 0.00 0.00 179.97 179.34 2vml h ASP 85 N 1.04 1.10 -0.54 -3.80 5.19 -0.89 -1.37 116.42 117.14 2vml h ASP 85 Ca 0.26 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.59 2vml h ASP 85 Cb 0.05 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.26 2vml h ASP 85 CO -0.04 0.84 0.28 0.24 -3.12 0.00 0.00 179.24 177.43 2vml h MET 86 N 1.26 0.77 -0.48 3.56 2.86 -1.26 -1.39 114.93 120.25 2vml h MET 86 Ca 0.33 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 2vml h MET 86 Cb -0.06 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 2vml h MET 86 CO -0.06 0.62 0.25 1.49 1.06 0.00 0.00 176.91 180.27 2vml h GLU 87 N 0.73 0.67 0.04 1.72 4.81 -1.28 -1.51 114.58 119.76 2vml h GLU 87 Ca 0.19 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2vml h GLU 87 Cb 0.09 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2vml h GLU 87 CO -0.03 0.54 -0.08 0.82 -0.73 0.00 0.00 179.01 179.54 2vml h ILE 88 N 0.63 0.81 -0.56 2.32 2.04 -1.06 0.10 117.51 121.79 2vml h ILE 88 Ca 0.17 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.99 2vml h ILE 88 Cb 0.07 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2vml h ILE 88 CO -0.03 0.00 0.20 0.40 0.00 0.00 0.00 178.15 178.72 2vml h ILE 89 N -0.15 1.23 -0.46 -0.67 2.04 -1.22 -1.67 117.51 116.61 2vml h ILE 89 Ca 0.02 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 2vml h ILE 89 Cb 0.17 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2vml h ILE 89 CO -0.05 0.28 0.12 0.25 0.00 0.00 0.00 178.15 178.75 2vml h LEU 90 N 0.77 0.62 -0.12 1.44 5.85 -1.16 -1.14 115.31 121.58 2vml h LEU 90 Ca 0.18 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2vml h LEU 90 Cb 0.25 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2vml h LEU 90 CO -0.01 0.61 0.01 -0.09 -0.34 0.00 0.00 178.44 178.62 2vml h ARG 91 N 0.66 0.20 -0.20 1.25 2.43 -0.60 -2.31 114.38 115.81 2vml h ARG 91 Ca 0.15 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 2vml h ARG 91 Cb 0.23 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2vml h ARG 91 CO -0.00 0.43 -0.29 1.88 -1.51 0.00 0.00 179.97 180.47 2vml h TYR 92 N -0.05 0.44 -0.33 2.20 0.05 -1.19 -1.94 116.97 116.16 2vml h TYR 92 Ca 0.03 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 2vml h TYR 92 Cb 0.33 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 2vml h TYR 92 CO 0.03 0.65 0.17 0.28 -1.05 0.00 0.00 178.16 178.23 2vml h VAL 93 N 0.35 1.15 -0.37 -2.88 2.07 -1.18 -2.28 116.25 113.11 2vml h VAL 93 Ca 0.05 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 2vml h VAL 93 Cb 0.69 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2vml h VAL 93 CO 0.05 0.15 -0.04 0.77 0.02 0.00 0.00 177.57 178.52 2vml h SER 94 N 0.40 0.57 -0.46 0.57 4.64 -1.23 -1.73 113.55 116.30 2vml h SER 94 Ca 0.11 -0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 2vml h SER 94 Cb 0.09 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 2vml h SER 94 CO -0.02 0.67 0.26 1.88 -0.87 0.00 0.00 176.83 178.75 2vml h TYR 95 N 0.56 0.48 -0.86 4.77 0.05 -1.24 -2.20 116.97 118.52 2vml h TYR 95 Ca 0.11 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.92 2vml h TYR 95 Cb 0.42 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.97 2vml h TYR 95 CO 0.02 0.26 0.57 0.00 -1.05 0.00 0.00 178.16 177.96 2vml h ALA 96 N 1.22 1.40 -0.19 3.88 0.00 -1.08 -1.44 119.26 123.05 2vml h ALA 96 Ca 0.19 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2vml h ALA 96 Cb 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2vml h ALA 96 CO -0.11 0.55 -0.33 1.25 0.00 0.00 0.00 179.25 180.61 2vml h LEU 97 N 1.15 0.40 -0.20 0.00 5.85 -1.09 0.11 115.31 121.54 2vml h LEU 97 Ca 0.32 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 2vml h LEU 97 Cb -0.10 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 2vml h LEU 97 CO -0.08 0.71 -0.30 0.25 -0.34 0.00 0.00 178.44 178.69 2vml h LEU 98 N 0.34 0.60 -1.34 2.25 5.85 -1.07 -3.28 115.31 118.65 2vml h LEU 98 Ca 0.04 -0.52 -0.07 0.00 0.84 0.00 0.00 57.88 58.17 2vml h LEU 98 Cb 0.75 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2vml h LEU 98 CO 0.06 1.00 -0.32 0.00 -0.34 0.00 0.00 178.44 178.84 2vml h ALA 99 N 0.61 1.31 -0.64 1.25 0.00 -1.15 -3.47 119.26 117.18 2vml h ALA 99 Ca 0.02 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 2vml h ALA 99 Cb 0.88 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2vml h ALA 99 CO 0.07 0.40 -0.17 0.41 0.00 0.00 0.00 179.25 179.96 2vml n GLY 100 N -0.41 0.68 3.47 0.00 0.00 0.36 -1.15 105.19 108.14 2vml n GLY 100 Ca -0.02 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 2vml n GLY 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vml s ASP 101 N -2.82 -0.60 0.00 1.61 2.15 -0.98 -4.18 116.67 111.84 2vml s ASP 101 Ca 0.00 1.15 0.29 0.00 0.43 0.00 0.00 52.55 54.42 2vml s ASP 101 Cb 0.00 1.16 1.34 0.00 -0.30 0.00 0.00 42.92 45.12 2vml s ASP 101 CO 0.00 -0.20 1.93 0.00 -0.17 0.00 0.00 175.17 176.73 2vml n ALA 102 N 2.87 2.70 -0.37 3.66 0.00 -1.26 -4.41 120.51 123.70 2vml n ALA 102 Ca -0.14 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2vml n ALA 102 Cb 0.56 -1.37 0.15 0.00 0.00 0.00 0.00 19.45 18.79 2vml n ALA 102 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2vml h SER 103 N 0.55 1.09 -0.77 0.00 4.64 -1.96 -0.44 113.55 116.67 2vml h SER 103 Ca 0.00 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2vml h SER 103 Cb 0.31 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 2vml h SER 103 CO 0.00 0.74 0.39 1.62 -0.87 0.00 0.00 176.83 178.72 2vml h VAL 104 N 1.26 1.24 -0.07 0.95 3.04 -1.82 0.43 116.25 121.27 2vml h VAL 104 Ca 0.40 -0.63 -0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2vml h VAL 104 Cb 0.00 0.25 -0.00 0.00 -2.01 0.00 0.00 31.29 29.53 2vml h VAL 104 CO -0.12 0.27 0.03 0.25 -1.01 0.00 0.00 177.57 176.99 2vml h LEU 105 N 1.07 0.10 -0.23 3.16 5.85 -1.59 -1.71 115.31 121.96 2vml h LEU 105 Ca 0.27 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2vml h LEU 105 Cb 0.08 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2vml h LEU 105 CO -0.04 0.23 0.11 -0.08 -0.34 0.00 0.00 178.44 178.33 2vml h GLU 106 N -0.04 0.34 -0.05 1.25 4.57 -0.87 -1.08 114.58 118.70 2vml h GLU 106 Ca 0.02 -0.05 -0.22 0.00 -1.18 0.00 0.00 59.36 57.94 2vml h GLU 106 Cb 0.16 -0.06 0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2vml h GLU 106 CO -0.00 0.34 -0.82 -0.44 -1.18 0.00 0.00 179.01 176.91 2vml h ASP 107 N 0.25 0.81 -0.02 1.04 3.32 -0.16 -1.68 116.42 119.97 2vml h ASP 107 Ca 0.08 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 56.43 2vml h ASP 107 Cb 0.11 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2vml h ASP 107 CO -0.01 1.40 -0.09 0.54 -1.72 0.00 0.00 179.24 179.36 2vml n ARG 108 N -4.00 1.80 0.12 3.56 1.74 -0.64 -4.68 116.66 114.56 2vml n ARG 108 Ca -0.10 -1.57 0.00 0.00 -0.77 0.00 0.00 57.85 55.42 2vml n ARG 108 Cb 0.77 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 2vml n ARG 108 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vml h LEU 110 N 0.00 0.00 -9.09 0.00 3.38 -1.21 -3.41 115.31 104.98 2vml h LEU 110 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2vml h LEU 110 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2vml h LEU 110 CO 0.00 0.78 1.38 0.21 0.09 0.00 0.00 178.44 180.90 2vml s ASN 111 N -6.58 5.84 0.00 -0.43 2.47 -0.63 -2.04 114.94 113.56 2vml s ASN 111 Ca 0.02 2.05 0.00 0.00 0.42 0.00 0.00 52.86 55.35 2vml s ASN 111 Cb 0.09 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.37 2vml s ASN 111 CO 0.79 -1.63 0.00 0.61 -3.72 0.00 0.00 177.10 173.14 2vml n GLY 112 N 5.30 0.72 0.20 1.21 0.00 -1.26 -4.94 105.19 106.43 2vml n GLY 112 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 2vml n GLY 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2vml h LEU 113 N 0.00 0.86 -0.80 0.99 5.85 -1.64 -2.67 115.31 117.91 2vml h LEU 113 Ca 0.00 -0.66 0.09 0.00 0.84 0.00 0.00 57.88 58.15 2vml h LEU 113 Cb 0.01 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.71 2vml h LEU 113 CO 0.00 1.39 0.45 0.50 -0.34 0.00 0.00 178.44 180.44 2vml h LYS 114 N 0.40 0.74 -0.63 1.25 3.64 -1.79 -1.43 116.57 118.75 2vml h LYS 114 Ca -0.07 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 2vml h LYS 114 Cb 1.41 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 2vml h LYS 114 CO 0.16 0.49 0.09 0.93 -2.27 0.00 0.00 179.45 178.85 2vml h GLU 115 N 0.76 1.05 -0.27 1.90 3.07 -1.92 -0.01 114.58 119.17 2vml h GLU 115 Ca 0.38 -0.29 0.03 0.00 -0.50 0.00 0.00 59.36 58.98 2vml h GLU 115 Cb 0.34 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 2vml h GLU 115 CO -0.24 0.98 0.11 1.15 -1.40 0.00 0.00 179.01 179.60 2vml h THR 116 N 0.96 0.95 -0.69 1.13 2.02 -1.10 -1.46 112.91 114.73 2vml h THR 116 Ca 0.19 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 2vml h THR 116 Cb 0.44 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2vml h THR 116 CO 0.01 0.04 0.28 1.88 0.37 0.00 0.00 175.52 178.10 2vml h TYR 117 N 0.24 1.04 -0.47 3.16 0.05 -0.87 -1.97 116.97 118.15 2vml h TYR 117 Ca 0.12 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 2vml h TYR 117 Cb 0.07 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 2vml h TYR 117 CO -0.12 0.81 0.18 0.28 -1.05 0.00 0.00 178.16 178.26 2vml h VAL 118 N 0.98 1.21 -0.60 -2.88 2.07 -0.87 -0.90 116.25 115.25 2vml h VAL 118 Ca 0.23 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2vml h VAL 118 Cb 0.21 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2vml h VAL 118 CO -0.02 0.25 0.33 0.00 0.02 0.00 0.00 177.57 178.15 2vml h ALA 119 N 1.03 1.45 0.00 1.67 0.00 -1.16 -2.57 119.26 119.68 2vml h ALA 119 Ca 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2vml h ALA 119 Cb 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2vml h ALA 119 CO -0.01 0.46 -0.08 -0.07 0.00 0.00 0.00 179.25 179.54 2vml h LEU 120 N 0.84 0.00 0.07 0.00 3.38 -0.93 -3.48 115.31 115.18 2vml h LEU 120 Ca 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2vml h LEU 120 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2vml h LEU 120 CO -0.04 0.08 -0.02 0.61 0.09 0.00 0.00 178.44 179.16 2vml n GLY 121 N 0.63 0.47 3.70 0.83 0.00 -0.44 -5.05 105.19 105.32 2vml n GLY 121 Ca 0.02 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2vml n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vml s THR 122 N -2.05 4.83 -0.37 2.61 2.01 -0.65 -4.96 115.64 117.06 2vml s THR 122 Ca 0.00 2.04 -0.28 0.00 0.31 0.00 0.00 61.69 63.76 2vml s THR 122 Cb 0.00 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 2vml s THR 122 CO 0.00 0.08 1.70 -2.16 -0.69 0.00 0.00 174.62 173.55 2vml s PRO 123 N 1.51 3.35 0.32 4.92 0.04 -1.26 -4.47 135.00 139.41 2vml s PRO 123 Ca 0.50 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.80 2vml s PRO 123 Cb -0.20 -4.17 0.56 0.00 0.04 0.00 0.00 34.50 30.74 2vml s PRO 123 CO 0.23 -1.84 1.85 1.79 0.04 0.00 0.00 177.00 179.07 2vml h THR 124 N 6.72 1.21 -0.07 1.26 1.35 -1.92 -2.03 112.91 119.43 2vml h THR 124 Ca -0.31 -0.83 -0.10 0.00 -0.55 0.00 0.00 66.41 64.61 2vml h THR 124 Cb 1.15 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 2vml h THR 124 CO 1.06 0.28 -0.43 0.03 -0.25 0.00 0.00 175.52 176.21 2vml h ARG 125 N 0.53 0.15 -0.09 4.72 3.08 -1.89 -1.21 114.38 119.68 2vml h ARG 125 Ca 0.11 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2vml h ARG 125 Cb 0.36 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2vml h ARG 125 CO 0.01 0.56 -0.44 0.77 -1.07 0.00 0.00 179.97 179.81 2vml h SER 126 N 0.13 0.21 -0.31 7.04 0.02 -1.78 -0.08 113.55 118.78 2vml h SER 126 Ca 0.01 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 2vml h SER 126 Cb 0.82 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2vml h SER 126 CO 0.06 0.62 -0.12 0.58 -1.14 0.00 0.00 176.83 176.84 2vml h VAL 127 N 0.16 1.29 -0.49 2.27 2.07 -1.17 -2.39 116.25 117.99 2vml h VAL 127 Ca 0.01 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.39 2vml h VAL 127 Cb 0.84 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 2vml h VAL 127 CO 0.07 0.39 0.20 0.00 0.02 0.00 0.00 177.57 178.24 2vml h ALA 128 N 0.77 0.61 -0.92 1.67 0.00 -1.02 -1.83 119.26 118.55 2vml h ALA 128 Ca 0.07 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2vml h ALA 128 Cb 0.63 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2vml h ALA 128 CO 0.04 -0.18 0.60 -0.09 0.00 0.00 0.00 179.25 179.62 2vml h ARG 129 N 0.40 1.13 -0.77 0.00 9.65 -0.96 -0.91 114.38 122.91 2vml h ARG 129 Ca 0.23 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 59.07 2vml h ARG 129 Cb 0.21 -0.25 -0.04 0.00 -1.39 0.00 0.00 29.97 28.49 2vml h ARG 129 CO -0.21 0.74 0.50 0.00 2.80 0.00 0.00 179.97 183.80 2vml h ALA 130 N 1.38 1.00 -0.27 2.80 0.00 -1.00 0.51 119.26 123.67 2vml h ALA 130 Ca 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2vml h ALA 130 Cb -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2vml h ALA 130 CO -0.12 0.33 0.05 0.28 0.00 0.00 0.00 179.25 179.79 2vml h VAL 131 N 0.99 1.23 -0.94 0.00 2.07 -0.53 -1.13 116.25 117.93 2vml h VAL 131 Ca 0.30 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2vml h VAL 131 Cb -0.04 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2vml h VAL 131 CO -0.09 0.25 0.62 1.56 0.02 0.00 0.00 177.57 179.93 2vml h GLN 132 N 0.27 1.23 -0.72 1.57 4.20 -1.02 -0.65 115.11 119.99 2vml h GLN 132 Ca 0.08 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 2vml h GLN 132 Cb 0.33 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2vml h GLN 132 CO 0.00 0.82 0.24 -0.07 -0.67 0.00 0.00 178.83 179.15 2vml h LEU 133 N 1.27 1.02 -0.85 1.46 3.38 -0.69 -2.40 115.31 118.50 2vml h LEU 133 Ca 0.34 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2vml h LEU 133 Cb -0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.31 2vml h LEU 133 CO -0.07 0.94 0.09 0.24 0.09 0.00 0.00 178.44 179.73 2vml h MET 134 N 1.06 0.94 -0.30 1.13 2.86 -0.95 -2.65 114.93 117.03 2vml h MET 134 Ca 0.24 -0.23 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 2vml h MET 134 Cb 0.27 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 2vml h MET 134 CO -0.01 0.88 -0.04 -0.22 1.06 0.00 0.00 176.91 178.58 2vml h LYS 135 N 0.89 0.04 -0.10 1.72 3.64 -0.86 0.10 116.57 122.00 2vml h LYS 135 Ca 0.18 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2vml h LYS 135 Cb 0.40 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2vml h LYS 135 CO 0.01 0.02 0.06 0.93 -2.27 0.00 0.00 179.45 178.20 2vml h GLU 136 N 0.04 0.12 -0.35 1.90 5.08 -1.27 0.07 114.58 120.17 2vml h GLU 136 Ca 0.15 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 2vml h GLU 136 Cb 0.21 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2vml h GLU 136 CO -0.28 0.08 -0.23 1.15 -1.00 0.00 0.00 179.01 178.72 2vml h THR 137 N 0.12 1.29 -0.14 1.13 2.02 -1.40 -1.75 112.91 114.17 2vml h THR 137 Ca 0.04 -1.38 0.01 0.00 0.77 0.00 0.00 66.41 65.85 2vml h THR 137 Cb -0.01 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2vml h THR 137 CO -0.02 0.45 0.04 0.00 0.37 0.00 0.00 175.52 176.37 2vml h ALA 138 N 0.77 0.15 -1.00 6.16 0.00 -0.63 -2.16 119.26 122.56 2vml h ALA 138 Ca 0.07 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2vml h ALA 138 Cb 0.80 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2vml h ALA 138 CO 0.06 -0.41 0.66 0.82 0.00 0.00 0.00 179.25 180.39 2vml h ILE 139 N 0.10 1.24 -0.68 0.00 2.04 -0.99 -1.28 117.51 117.95 2vml h ILE 139 Ca 0.06 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.57 2vml h ILE 139 Cb 0.04 -0.21 -0.08 0.00 -0.74 0.00 0.00 36.82 35.83 2vml h ILE 139 CO -0.07 0.24 0.27 1.23 0.00 0.00 0.00 178.15 179.82 2vml h GLY 140 N 1.34 0.99 1.51 5.37 0.00 -0.95 -0.87 103.07 110.47 2vml h GLY 140 Ca 0.37 -0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.43 2vml h GLY 140 CO -0.09 -0.04 -0.40 -0.97 0.00 0.00 0.00 176.54 175.04 2vml h TYR 141 N 0.45 0.64 -0.95 5.60 0.05 -0.75 -1.17 116.97 120.83 2vml h TYR 141 Ca 0.36 -0.18 0.01 0.00 0.05 0.00 0.00 58.73 58.96 2vml h TYR 141 Cb 0.48 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 38.03 2vml h TYR 141 CO -0.16 0.86 0.62 0.28 -1.05 0.00 0.00 178.16 178.70 2vml h VAL 142 N 0.44 1.25 0.00 -2.88 2.07 -0.72 -2.97 116.25 113.44 2vml h VAL 142 Ca 0.04 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2vml h VAL 142 Cb 0.90 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2vml h VAL 142 CO 0.08 0.24 -0.36 0.78 0.02 0.00 0.00 177.57 178.33 2vml h ASN 143 N 1.30 0.00 -1.76 0.57 2.35 -0.93 -3.39 115.58 113.73 2vml h ASN 143 Ca 0.35 -0.10 -0.59 0.00 -0.55 0.00 0.00 56.30 55.41 2vml h ASN 143 Cb -0.13 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 37.82 2vml h ASN 143 CO -0.07 0.05 -0.71 -1.20 -1.65 0.00 0.00 177.43 173.85 2vml n SER 144 N -2.27 4.58 -4.40 5.81 7.64 -0.46 -5.08 113.62 119.43 2vml n SER 144 Ca 0.04 -3.69 -0.28 0.00 1.01 0.00 0.00 58.87 55.95 2vml n SER 144 Cb 0.45 -0.49 0.15 0.00 -1.01 0.00 0.00 64.21 63.30 2vml n SER 144 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2vml s PRO 145 N -3.51 1.15 -0.53 1.43 0.04 -1.24 -4.92 135.00 127.42 2vml s PRO 145 Ca 0.48 -0.58 -0.15 0.00 0.04 0.00 0.00 61.00 60.79 2vml s PRO 145 Cb 0.36 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 33.00 2vml s PRO 145 CO -0.17 -1.98 0.48 -1.12 0.04 0.00 0.00 177.00 174.25 2vml s SER 146 N -4.80 6.14 -1.10 6.66 0.01 -1.26 -4.58 113.70 114.78 2vml s SER 146 Ca 0.70 -1.78 0.00 0.00 1.31 0.00 0.00 55.95 56.18 2vml s SER 146 Cb -0.05 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2vml s SER 146 CO 0.49 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2vml n GLY 147 N 5.22 0.25 3.81 3.44 0.00 -1.26 -5.03 105.19 111.62 2vml n GLY 147 Ca -0.13 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 2vml n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vml s VAL 148 N -2.56 4.44 0.15 1.61 1.01 -1.26 -5.02 120.40 118.77 2vml s VAL 148 Ca 0.00 1.42 -0.32 0.00 0.00 0.00 0.00 61.98 63.08 2vml s VAL 148 Cb 0.00 -3.78 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 2vml s VAL 148 CO 0.00 -0.03 1.79 0.41 0.00 0.00 0.00 175.10 177.28 2vml n THR 149 N 0.10 0.24 -2.15 3.92 -1.04 -1.26 -4.94 114.28 109.15 2vml n THR 149 Ca 0.03 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 2vml n THR 149 Cb 0.52 -2.06 -0.02 0.00 -1.82 0.00 0.00 70.33 66.95 2vml n THR 149 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2vml s ARG 150 N 2.18 4.38 0.00 -2.82 0.52 -1.26 -4.98 118.95 116.97 2vml s ARG 150 Ca 0.80 2.17 0.00 0.00 -0.52 0.00 0.00 55.73 58.18 2vml s ARG 150 Cb -0.50 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 31.87 2vml s ARG 150 CO 0.36 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.90 2vml n GLY 151 N 1.21 0.49 3.62 -3.53 0.00 -1.26 -5.14 105.19 100.59 2vml n GLY 151 Ca 0.02 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 2vml n GLY 151 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vml s ASP 152 N -1.00 6.07 -0.13 1.61 2.15 -1.26 -4.94 116.67 119.17 2vml s ASP 152 Ca 0.00 0.05 0.18 0.00 0.43 0.00 0.00 52.55 53.22 2vml s ASP 152 Cb 0.00 -2.11 0.30 0.00 -0.30 0.00 0.00 42.92 40.80 2vml s ASP 152 CO 0.00 0.00 1.16 0.00 -0.17 0.00 0.00 175.17 176.16 2vml h SER 154 N 0.10 0.94 -0.30 0.00 4.64 -1.99 0.09 113.55 117.03 2vml h SER 154 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2vml h SER 154 Cb 1.01 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2vml h SER 154 CO 0.01 0.61 0.14 0.00 -0.87 0.00 0.00 176.83 176.72 2vml h ALA 155 N 1.42 0.39 -0.62 5.18 0.00 -2.00 -0.43 119.26 123.19 2vml h ALA 155 Ca 0.39 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2vml h ALA 155 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2vml h ALA 155 CO -0.16 -0.05 0.14 -0.07 0.00 0.00 0.00 179.25 179.11 2vml h LEU 156 N 0.35 0.96 -0.60 0.00 3.38 -1.78 -1.38 115.31 116.24 2vml h LEU 156 Ca 0.10 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.89 2vml h LEU 156 Cb 0.13 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2vml h LEU 156 CO -0.01 0.95 0.31 0.58 0.09 0.00 0.00 178.44 180.36 2vml h VAL 157 N 0.92 0.93 -0.63 1.22 2.07 -0.90 0.19 116.25 120.04 2vml h VAL 157 Ca 0.19 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2vml h VAL 157 Cb 0.37 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2vml h VAL 157 CO 0.00 0.10 0.31 -1.13 0.02 0.00 0.00 177.57 176.88 2vml h ASN 158 N 0.57 0.83 -0.30 0.57 -1.24 -0.80 -1.51 115.58 113.70 2vml h ASN 158 Ca 0.27 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 57.14 2vml h ASN 158 Cb 0.20 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 2vml h ASN 158 CO -0.19 0.72 0.11 -0.08 -1.29 0.00 0.00 177.43 176.70 2vml h GLU 159 N 0.87 0.46 -0.26 6.67 4.81 -0.92 -1.16 114.58 125.04 2vml h GLU 159 Ca 0.22 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 2vml h GLU 159 Cb 0.11 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 2vml h GLU 159 CO -0.03 0.48 -0.03 0.00 -0.73 0.00 0.00 179.01 178.71 2vml h ALA 160 N 0.95 0.21 -0.88 2.92 0.00 -0.81 -2.02 119.26 119.64 2vml h ALA 160 Ca 0.10 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.24 2vml h ALA 160 Cb 0.20 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 2vml h ALA 160 CO -0.01 -0.44 0.48 0.00 0.00 0.00 0.00 179.25 179.28 2vml h ALA 161 N 1.24 1.33 -0.89 0.00 0.00 -0.98 -1.75 119.26 118.20 2vml h ALA 161 Ca 0.13 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2vml h ALA 161 Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2vml h ALA 161 CO -0.24 -0.03 0.56 1.79 0.00 0.00 0.00 179.25 181.33 2vml h THR 162 N 0.69 1.24 -0.29 0.00 1.35 -0.49 0.20 112.91 115.62 2vml h THR 162 Ca 0.47 -0.48 -0.06 0.00 -0.55 0.00 0.00 66.41 65.79 2vml h THR 162 Cb 0.63 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 2vml h THR 162 CO -0.34 0.24 -0.03 1.88 -0.25 0.00 0.00 175.52 177.02 2vml h TYR 163 N 1.22 0.60 -0.35 4.73 0.05 -1.00 0.24 116.97 122.47 2vml h TYR 163 Ca 0.32 -0.12 -0.04 0.00 0.05 0.00 0.00 58.73 58.95 2vml h TYR 163 Cb -0.09 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 2vml h TYR 163 CO 0.00 0.71 0.07 0.74 -1.05 0.00 0.00 178.16 178.63 2vml h PHE 164 N 0.32 0.60 -0.78 4.88 0.04 -1.12 -2.38 116.94 118.51 2vml h PHE 164 Ca 0.08 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 2vml h PHE 164 Cb 0.49 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 2vml h PHE 164 CO 0.04 0.62 0.35 -0.44 -0.60 0.00 0.00 178.31 178.28 2vml h ASP 165 N 0.41 1.03 -0.46 2.17 3.32 -0.48 -1.29 116.42 121.11 2vml h ASP 165 Ca 0.11 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.04 2vml h ASP 165 Cb 0.33 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2vml h ASP 165 CO 0.00 0.89 0.28 0.11 -1.72 0.00 0.00 179.24 178.80 2vml h LYS 166 N 1.12 0.54 -0.02 3.56 1.57 -0.47 -1.26 116.57 121.62 2vml h LYS 166 Ca 0.26 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2vml h LYS 166 Cb 0.15 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2vml h LYS 166 CO -0.03 0.36 -0.11 0.00 -0.57 0.00 0.00 179.45 179.11 2vml h ALA 167 N 1.20 -0.10 -0.40 3.86 0.00 -1.00 0.17 119.26 122.99 2vml h ALA 167 Ca 0.18 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2vml h ALA 167 Cb 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2vml h ALA 167 CO -0.08 -0.59 0.25 0.00 0.00 0.00 0.00 179.25 178.83 2vml h ALA 168 N 0.82 0.50 -0.24 0.00 0.00 -1.22 -1.76 119.26 117.37 2vml h ALA 168 Ca 0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2vml h ALA 168 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2vml h ALA 168 CO -0.12 -0.01 -0.29 0.00 0.00 0.00 0.00 179.25 178.83 2vml h ALA 169 N 1.12 1.06 -0.21 0.00 0.00 -1.10 0.35 119.26 120.48 2vml h ALA 169 Ca 0.14 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2vml h ALA 169 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2vml h ALA 169 CO -0.03 0.58 -0.31 1.03 0.00 0.00 0.00 179.25 180.52 2vml h SER 170 N 0.41 0.43 0.06 0.00 0.87 -0.65 -3.31 113.55 111.35 2vml h SER 170 Ca 0.05 -0.16 -0.19 0.00 -1.23 0.00 0.00 61.79 60.27 2vml h SER 170 Cb 0.72 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 2vml h SER 170 CO 0.06 0.72 -1.00 0.40 -0.53 0.00 0.00 176.83 176.47 2vml h ILE 171 N 0.36 1.20 0.00 2.23 2.04 -1.12 -3.41 117.51 118.82 2vml h ILE 171 Ca 0.05 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.58 2vml h ILE 171 Cb 0.72 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 2vml h ILE 171 CO 0.06 0.57 0.00 0.00 0.00 0.00 0.00 178.15 178.77