#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 2.67 0.50 2.12 -1.52 -1.26 -5.07 119.66 117.10 2vml s GLN 2 Ca 0.00 -1.00 0.01 0.00 -1.95 0.00 0.00 55.36 52.42 2vml s GLN 2 Cb 0.00 -2.50 -0.01 0.00 -0.22 0.00 0.00 33.01 30.28 2vml s GLN 2 CO 0.00 0.46 0.03 0.16 -0.25 0.00 0.00 175.29 175.70 2vml s ASP 3 N -3.08 3.88 0.41 5.90 1.47 -1.26 -4.66 116.67 119.34 2vml s ASP 3 Ca 0.29 -1.71 0.12 0.00 1.18 0.00 0.00 52.55 52.43 2vml s ASP 3 Cb -0.10 0.65 0.94 0.00 -0.34 0.00 0.00 42.92 44.08 2vml s ASP 3 CO 0.21 -0.93 1.96 0.00 0.68 0.00 0.00 175.17 177.09 2vml h ALA 4 N 1.38 1.93 -0.06 2.11 0.00 -1.40 -0.17 119.26 123.06 2vml h ALA 4 Ca -0.42 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 2vml h ALA 4 Cb 1.32 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2vml h ALA 4 CO 0.69 -0.07 -0.71 0.74 0.00 0.00 0.00 179.25 179.90 2vml h PHE 5 N 0.52 0.82 -0.48 0.00 0.04 -1.94 -3.14 116.94 112.77 2vml h PHE 5 Ca 0.31 -0.41 -0.13 0.00 2.80 0.00 0.00 57.97 60.54 2vml h PHE 5 Cb 0.51 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2vml h PHE 5 CO -0.00 1.22 -0.20 1.15 -0.60 0.00 0.00 178.31 179.88 2vml h THR 6 N 0.19 1.27 -0.71 -1.55 2.02 -1.86 -2.27 112.91 110.01 2vml h THR 6 Ca -0.07 -1.36 0.05 0.00 0.77 0.00 0.00 66.41 65.79 2vml h THR 6 Cb 1.37 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.87 2vml h THR 6 CO 0.14 0.47 0.42 0.50 0.37 0.00 0.00 175.52 177.42 2vml h LYS 7 N 0.83 0.77 -0.32 6.66 3.64 -1.12 -1.25 116.57 125.78 2vml h LYS 7 Ca 0.11 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2vml h LYS 7 Cb 0.78 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2vml h LYS 7 CO 0.06 0.51 0.09 0.00 -2.27 0.00 0.00 179.45 177.85 2vml h ALA 8 N 1.33 0.42 -0.56 5.00 0.00 -1.45 -2.87 119.26 121.13 2vml h ALA 8 Ca 0.30 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2vml h ALA 8 Cb 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2vml h ALA 8 CO -0.15 0.06 0.26 0.82 0.00 0.00 0.00 179.25 180.24 2vml h ILE 9 N 0.35 0.89 -0.83 0.00 2.04 -1.18 0.03 117.51 118.82 2vml h ILE 9 Ca 0.10 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2vml h ILE 9 Cb 0.26 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2vml h ILE 9 CO -0.00 0.09 0.54 0.58 0.00 0.00 0.00 178.15 179.36 2vml h VAL 10 N 0.49 1.16 -0.23 1.67 2.07 -1.19 -0.07 116.25 120.15 2vml h VAL 10 Ca 0.26 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 2vml h VAL 10 Cb 0.22 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2vml h VAL 10 CO -0.21 0.20 -0.41 0.00 0.02 0.00 0.00 177.57 177.16 2vml h ALA 11 N 1.33 0.36 -0.30 1.67 0.00 -1.26 -2.65 119.26 118.41 2vml h ALA 11 Ca 0.32 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2vml h ALA 11 Cb -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2vml h ALA 11 CO -0.10 0.47 -0.10 0.00 0.00 0.00 0.00 179.25 179.52 2vml h ALA 12 N 0.63 1.27 -0.49 0.00 0.00 -0.77 -2.93 119.26 116.97 2vml h ALA 12 Ca 0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 2vml h ALA 12 Cb 1.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2vml h ALA 12 CO 0.09 0.48 -0.16 0.22 0.00 0.00 0.00 179.25 179.89 2vml h ASP 13 N 0.47 0.97 0.06 0.00 3.58 -0.95 -0.87 116.42 119.67 2vml h ASP 13 Ca 0.09 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 2vml h ASP 13 Cb 0.46 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 2vml h ASP 13 CO 0.03 1.11 -0.04 -0.07 -2.88 0.00 0.00 179.24 177.39 2vml h LEU 14 N 0.84 0.00 -0.08 2.28 3.38 -1.29 0.18 115.31 120.61 2vml h LEU 14 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2vml h LEU 14 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2vml h LEU 14 CO 0.05 0.04 -0.13 0.54 0.09 0.00 0.00 178.44 179.03 2vml n ARG 15 N -4.20 0.31 -1.84 1.13 1.74 -1.02 -4.94 116.66 107.84 2vml n ARG 15 Ca -0.03 -0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 56.88 2vml n ARG 15 Cb 0.12 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 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 1.39 0.40 3.39 -0.13 0.00 0.62 -5.01 105.19 105.85 2vml n GLY 16 Ca 0.10 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.71 3.36 0.73 1.61 0.01 -0.38 -5.01 113.70 111.30 2vml s SER 17 Ca 0.00 -0.72 -0.15 0.00 1.31 0.00 0.00 55.95 56.39 2vml s SER 17 Cb 0.00 -0.26 0.04 0.00 0.21 0.00 0.00 66.02 66.01 2vml s SER 17 CO 0.00 0.19 1.23 -0.36 0.41 0.00 0.00 173.24 174.71 2vml s PHE 18 N -1.04 2.00 0.34 2.43 0.08 -1.26 -4.28 117.98 116.24 2vml s PHE 18 Ca 0.14 1.59 -0.29 0.00 0.12 0.00 0.00 56.93 58.49 2vml s PHE 18 Cb -0.10 -3.53 -0.12 0.00 -0.57 0.00 0.00 43.02 38.70 2vml s PHE 18 CO 0.06 -2.74 1.47 1.28 -0.10 0.00 0.00 175.22 175.18 2vml n LEU 19 N -2.64 4.28 -4.84 -0.37 4.77 -1.26 -4.99 117.00 111.95 2vml n LEU 19 Ca 0.14 1.20 -0.31 0.00 -0.03 0.00 0.00 56.01 57.01 2vml n LEU 19 Cb 0.50 -1.57 0.05 0.00 -2.33 0.00 0.00 43.42 40.07 2vml n LEU 19 CO 0.47 -0.03 0.72 -0.94 -1.33 0.00 0.00 177.39 176.28 2vml s SER 20 N 0.03 5.36 0.24 -1.43 1.04 -1.26 -4.86 113.70 112.82 2vml s SER 20 Ca 0.58 1.41 -0.06 0.00 0.48 0.00 0.00 55.95 58.35 2vml s SER 20 Cb -0.51 -2.27 0.43 0.00 0.10 0.00 0.00 66.02 63.76 2vml s SER 20 CO 0.58 -1.43 1.68 -0.08 0.98 0.00 0.00 173.24 174.97 2vml h GLU 21 N -0.71 0.22 -0.34 4.02 4.57 -1.98 0.11 114.58 120.46 2vml h GLU 21 Ca -0.45 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 2vml h GLU 21 Cb 1.23 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 2vml h GLU 21 CO 0.60 0.14 0.17 0.37 -1.18 0.00 0.00 179.01 179.12 2vml h GLN 22 N 0.22 0.48 -0.45 1.92 -0.00 -1.99 -0.50 115.11 114.79 2vml h GLN 22 Ca 0.40 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.95 2vml h GLN 22 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 28.05 2vml h GLN 22 CO -0.53 0.42 0.13 0.93 0.00 0.00 0.00 178.83 179.77 2vml h GLU 23 N 0.41 0.71 -0.39 1.69 5.08 -1.80 -2.78 114.58 117.51 2vml h GLU 23 Ca 0.12 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2vml h GLU 23 Cb 0.09 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2vml h GLU 23 CO -0.02 0.70 0.11 -0.07 -1.00 0.00 0.00 179.01 178.73 2vml h LEU 24 N 0.59 0.52 -0.43 1.33 3.38 -0.79 -2.48 115.31 117.43 2vml h LEU 24 Ca 0.14 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 2vml h LEU 24 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2vml h LEU 24 CO -0.00 0.51 -0.79 0.78 0.09 0.00 0.00 178.44 179.04 2vml h ASN 25 N 0.56 0.07 1.05 -0.43 4.21 -0.90 0.12 115.58 120.26 2vml h ASN 25 Ca 0.13 -0.05 -0.16 0.00 1.21 0.00 0.00 56.30 57.43 2vml h ASN 25 Cb 0.19 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 2vml h ASN 25 CO -0.01 0.82 -0.77 1.56 -1.29 0.00 0.00 177.43 177.75 2vml h GLN 26 N 0.03 0.00 -0.18 0.81 1.08 -1.36 -2.18 115.11 113.31 2vml h GLN 26 Ca -0.02 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.99 2vml h GLN 26 Cb 1.38 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.82 2vml h GLN 26 CO 0.11 0.77 -0.65 -0.07 -0.95 0.00 0.00 178.83 178.03 2vml h LEU 27 N 0.00 0.89 -0.77 1.46 3.38 -1.26 -2.53 115.31 116.48 2vml h LEU 27 Ca -0.01 -0.60 0.07 0.00 0.09 0.00 0.00 57.88 57.43 2vml h LEU 27 Cb 1.50 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 2vml h LEU 27 CO 0.10 1.34 0.45 0.74 0.09 0.00 0.00 178.44 181.16 2vml h THR 28 N 0.49 0.99 -0.17 0.22 2.02 -0.77 -1.59 112.91 114.10 2vml h THR 28 Ca -0.03 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 2vml h THR 28 Cb 1.28 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2vml h THR 28 CO 0.14 0.15 -0.32 -1.13 0.37 0.00 0.00 175.52 174.73 2vml h ASN 29 N 0.81 0.34 -0.58 4.18 -0.73 -1.40 -1.59 115.58 116.60 2vml h ASN 29 Ca 0.34 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 58.36 2vml h ASN 29 Cb 0.21 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.68 2vml h ASN 29 CO -0.19 0.64 0.23 0.25 -0.37 0.00 0.00 177.43 178.00 2vml h LEU 30 N 0.29 0.81 -0.59 0.34 6.46 -1.00 0.53 115.31 122.14 2vml h LEU 30 Ca 0.04 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2vml h LEU 30 Cb 0.71 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 2vml h LEU 30 CO 0.05 0.76 0.39 0.58 -0.62 0.00 0.00 178.44 179.60 2vml h VAL 31 N 0.81 1.16 -0.89 1.05 2.07 -1.17 -1.51 116.25 117.76 2vml h VAL 31 Ca 0.19 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2vml h VAL 31 Cb 0.21 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 2vml h VAL 31 CO -0.02 0.15 0.51 0.50 0.02 0.00 0.00 177.57 178.74 2vml h LYS 32 N 0.80 1.22 -0.17 1.57 3.64 -0.82 -2.47 116.57 120.35 2vml h LYS 32 Ca 0.22 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2vml h LYS 32 Cb -0.08 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.49 2vml h LYS 32 CO -0.05 0.87 0.00 0.39 -2.27 0.00 0.00 179.45 178.40 2vml n GLU 33 N -4.35 1.70 0.21 1.90 -0.58 0.14 -4.51 120.64 115.15 2vml n GLU 33 Ca 0.10 -1.05 0.06 0.00 -0.42 0.00 0.00 57.16 55.85 2vml n GLU 33 Cb 0.08 -1.38 0.48 0.00 -0.57 0.00 0.00 31.44 30.05 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 2.09 0.00 -0.26 1.62 4.64 -0.78 -2.25 113.55 118.61 2vml h SER 34 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2vml h SER 34 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2vml h SER 34 CO 0.00 0.26 -0.10 0.78 -0.87 0.00 0.00 176.83 176.91 2vml h ASN 35 N 0.00 0.53 -0.86 4.97 2.35 -1.80 -0.18 115.58 120.58 2vml h ASN 35 Ca -0.00 -0.39 0.05 0.00 -0.55 0.00 0.00 56.30 55.40 2vml h ASN 35 Cb 0.52 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.69 2vml h ASN 35 CO 0.03 0.81 0.55 0.11 -1.65 0.00 0.00 177.43 177.28 2vml h LYS 36 N 0.26 1.00 -0.83 0.81 1.57 -1.82 -1.16 116.57 116.40 2vml h LYS 36 Ca 0.06 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2vml h LYS 36 Cb 0.59 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 2vml h LYS 36 CO 0.03 0.66 0.54 -0.09 -0.57 0.00 0.00 179.45 180.03 2vml h ARG 37 N 1.03 1.05 -0.66 3.15 2.43 -1.04 -0.34 114.38 120.00 2vml h ARG 37 Ca 0.36 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.39 2vml h ARG 37 Cb 0.08 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 2vml h ARG 37 CO -0.14 0.70 0.12 -0.07 -1.51 0.00 0.00 179.97 179.06 2vml h LEU 38 N 1.08 1.05 -0.72 3.80 3.38 -0.47 -1.34 115.31 122.09 2vml h LEU 38 Ca 0.32 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2vml h LEU 38 Cb -0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 2vml h LEU 38 CO -0.09 1.04 0.30 0.44 0.09 0.00 0.00 178.44 180.22 2vml h ASP 39 N 1.01 0.99 -0.37 -0.43 3.32 -0.81 -0.68 116.42 119.44 2vml h ASP 39 Ca 0.20 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2vml h ASP 39 Cb 0.43 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2vml h ASP 39 CO 0.01 0.88 0.12 0.00 -1.72 0.00 0.00 179.24 178.54 2vml h ALA 40 N 1.15 0.48 -0.50 3.45 0.00 -0.88 -0.64 119.26 122.32 2vml h ALA 40 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2vml h ALA 40 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2vml h ALA 40 CO -0.02 0.12 0.25 0.28 0.00 0.00 0.00 179.25 179.88 2vml h VAL 41 N 0.45 1.19 -0.30 0.00 2.07 -1.20 -2.88 116.25 115.58 2vml h VAL 41 Ca 0.12 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2vml h VAL 41 Cb 0.24 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2vml h VAL 41 CO -0.01 0.21 0.18 -1.13 0.02 0.00 0.00 177.57 176.84 2vml h ASN 42 N 0.67 0.35 -0.83 0.57 -1.24 -0.98 -1.78 115.58 112.34 2vml h ASN 42 Ca 0.17 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 2vml h ASN 42 Cb 0.10 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.02 2vml h ASN 42 CO -0.02 0.28 0.39 0.00 -1.29 0.00 0.00 177.43 176.78 2vml h ALA 43 N 1.78 1.11 -0.00 1.57 0.00 -0.89 -0.81 119.26 122.01 2vml h ALA 43 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2vml h ALA 43 Cb -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2vml h ALA 43 CO -0.02 0.66 -0.02 0.82 0.00 0.00 0.00 179.25 180.69 2vml h ILE 44 N 1.19 1.54 -0.51 0.00 2.04 -1.37 -3.13 117.51 117.27 2vml h ILE 44 Ca 0.28 -1.61 0.02 0.00 1.00 0.00 0.00 64.86 64.55 2vml h ILE 44 Cb 0.14 2.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.81 2vml h ILE 44 CO -0.03 0.42 0.31 0.74 0.00 0.00 0.00 178.15 179.59 2vml h THR 45 N -0.65 1.06 0.00 -0.27 2.02 -1.37 -0.60 112.91 113.11 2vml h THR 45 Ca -0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2vml h THR 45 Cb 0.70 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2vml h THR 45 CO 0.00 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.62 2vml n GLY 46 N -1.24 -1.35 0.48 2.16 0.00 -0.31 -3.31 105.19 101.62 2vml n GLY 46 Ca 0.03 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.23 1.39 0.14 1.61 3.02 -1.06 -4.92 115.26 113.20 2vml n ASN 47 Ca 0.03 -2.79 -0.14 0.00 -0.03 0.00 0.00 54.58 51.65 2vml n ASN 47 Cb 0.26 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 39.00 2vml n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vml h ALA 48 N 0.32 -0.29 -0.80 5.41 0.00 -1.10 -0.24 119.26 122.57 2vml h ALA 48 Ca -0.03 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2vml h ALA 48 Cb 1.23 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 2vml h ALA 48 CO 0.01 -0.67 0.51 0.00 0.00 0.00 0.00 179.25 179.11 2vml h ALA 49 N 0.50 1.04 -0.50 0.00 0.00 -1.88 -0.84 119.26 117.59 2vml h ALA 49 Ca -0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2vml h ALA 49 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2vml h ALA 49 CO 0.02 0.34 0.03 0.93 0.00 0.00 0.00 179.25 180.57 2vml h GLU 50 N 1.01 0.87 -0.30 0.00 3.07 -1.89 -1.15 114.58 116.19 2vml h GLU 50 Ca 0.32 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 2vml h GLU 50 Cb -0.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2vml h GLU 50 CO -0.11 0.89 0.12 0.82 -1.40 0.00 0.00 179.01 179.34 2vml h ILE 51 N 0.74 1.18 -0.45 3.13 2.04 -0.43 -1.25 117.51 122.47 2vml h ILE 51 Ca 0.15 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2vml h ILE 51 Cb 0.48 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2vml h ILE 51 CO 0.02 0.19 0.19 0.40 0.00 0.00 0.00 178.15 178.95 2vml h ILE 52 N 0.34 1.20 -0.38 -0.67 2.04 -1.06 -2.64 117.51 116.33 2vml h ILE 52 Ca 0.10 -0.60 -0.14 0.00 1.00 0.00 0.00 64.86 65.22 2vml h ILE 52 Cb 0.18 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2vml h ILE 52 CO -0.01 0.22 -0.31 -1.28 0.00 0.00 0.00 178.15 176.78 2vml h SER 53 N 0.59 0.93 -0.42 1.72 0.87 -1.06 -0.91 113.55 115.27 2vml h SER 53 Ca 0.15 -0.45 -0.09 0.00 -1.23 0.00 0.00 61.79 60.18 2vml h SER 53 Cb 0.17 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2vml h SER 53 CO -0.01 1.18 -0.08 -0.78 -0.53 0.00 0.00 176.83 176.61 2vml h ASP 54 N 0.70 0.80 -0.45 6.23 3.58 -1.25 -1.30 116.42 124.73 2vml h ASP 54 Ca 0.07 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2vml h ASP 54 Cb 0.89 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 2vml h ASP 54 CO 0.08 0.97 0.29 0.00 -2.88 0.00 0.00 179.24 177.69 2vml h ALA 55 N 0.86 0.58 0.11 -0.78 0.00 -1.43 -1.98 119.26 116.62 2vml h ALA 55 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2vml h ALA 55 Cb 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2vml h ALA 55 CO 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 179.25 179.28 2vml h ALA 56 N 1.15 -0.15 -0.56 0.00 0.00 -1.07 -0.84 119.26 117.78 2vml h ALA 56 Ca 0.16 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.13 2vml h ALA 56 Cb -0.04 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 2vml h ALA 56 CO -0.03 -0.56 0.04 0.45 0.00 0.00 0.00 179.25 179.14 2vml h HIS 57 N -0.21 0.03 -0.64 0.00 -0.00 -1.21 -2.05 115.15 111.08 2vml h HIS 57 Ca -0.02 0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.31 2vml h HIS 57 Cb 0.17 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 2vml h HIS 57 CO -0.05 -0.10 0.09 0.87 -0.00 0.00 0.00 177.93 178.73 2vml h LYS 58 N 0.16 1.07 -0.33 2.45 1.57 -1.17 -2.52 116.57 117.80 2vml h LYS 58 Ca 0.29 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2vml h LYS 58 Cb 0.44 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2vml h LYS 58 CO -0.44 1.00 0.19 1.25 -0.57 0.00 0.00 179.45 180.87 2vml h LEU 59 N 0.98 0.31 0.00 2.94 5.85 -0.74 -1.73 115.31 122.92 2vml h LEU 59 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2vml h LEU 59 Cb 0.45 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2vml h LEU 59 CO 0.02 0.22 0.00 0.49 -0.34 0.00 0.00 178.44 178.83 2vml n PHE 60 N -4.91 0.00 -0.01 1.25 3.72 -0.81 -0.36 117.46 116.35 2vml n PHE 60 Ca -0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 2vml n PHE 60 Cb 0.05 -0.49 -0.14 0.00 -0.94 0.00 0.00 39.48 37.96 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 2.94 0.66 -0.09 4.37 0.00 -1.25 -3.30 119.26 122.60 2vml h ALA 61 Ca 0.00 -1.42 -0.24 0.00 0.00 0.00 0.00 54.91 53.25 2vml h ALA 61 Cb 0.46 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.78 2vml h ALA 61 CO 0.00 1.49 -0.89 0.93 0.00 0.00 0.00 179.25 180.78 2vml h GLU 62 N 0.02 0.73 -2.73 0.00 5.08 -1.08 -3.41 114.58 113.19 2vml h GLU 62 Ca -0.31 -0.67 -0.61 0.00 -1.00 0.00 0.00 59.36 56.77 2vml h GLU 62 Cb 2.01 0.16 -0.41 0.00 0.50 0.00 0.00 28.75 31.02 2vml h GLU 62 CO 0.09 1.27 -0.72 1.04 -1.00 0.00 0.00 179.01 179.68 2vml n GLN 63 N -3.89 1.34 0.14 2.33 6.02 0.51 -4.93 117.38 118.90 2vml n GLN 63 Ca -0.09 -4.05 0.12 0.00 -0.01 0.00 0.00 57.00 52.98 2vml n GLN 63 Cb 0.80 -2.05 0.50 0.00 1.02 0.00 0.00 30.24 30.51 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 4.24 0.00 -0.56 5.09 1.35 -1.81 -2.85 112.91 118.37 2vml h THR 64 Ca 0.19 -0.28 0.06 0.00 -0.55 0.00 0.00 66.41 65.82 2vml h THR 64 Cb 0.80 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 68.24 2vml h THR 64 CO 0.61 0.00 0.38 0.44 -0.25 0.00 0.00 175.52 176.70 2vml h ASP 65 N 0.00 0.48 0.93 5.36 5.19 -1.91 -2.90 116.42 123.56 2vml h ASP 65 Ca 0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 2vml h ASP 65 Cb 0.41 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 2vml h ASP 65 CO 0.00 0.32 -0.28 -0.07 -3.12 0.00 0.00 179.24 176.08 2vml h LEU 66 N 0.55 0.00 -3.25 1.55 3.38 -1.87 -3.06 115.31 112.60 2vml h LEU 66 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2vml h LEU 66 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2vml h LEU 66 CO -0.07 0.28 0.00 2.30 0.09 0.00 0.00 178.44 181.05 2vml n ILE 67 N -3.43 2.16 -4.10 1.22 -5.35 -1.10 -0.97 119.36 107.78 2vml n ILE 67 Ca 0.00 -1.62 -0.26 0.00 -0.27 0.00 0.00 62.75 60.61 2vml n ILE 67 Cb 0.47 -0.12 -0.06 0.00 -1.74 0.00 0.00 39.64 38.19 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 -2.48 2.83 0.17 6.28 0.52 -1.16 -4.92 118.95 120.20 2vml s ARG 68 Ca 0.43 -0.92 -0.33 0.00 -0.52 0.00 0.00 55.73 54.38 2vml s ARG 68 Cb 0.32 -2.60 -0.15 0.00 0.52 0.00 0.00 34.95 33.04 2vml s ARG 68 CO 0.13 0.47 1.24 -2.30 0.02 0.00 0.00 175.30 174.86 2vml n PRO 69 N -0.39 1.33 0.00 3.54 -0.02 -1.26 0.01 135.00 138.21 2vml n PRO 69 Ca -0.08 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2vml n PRO 69 Cb 0.55 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 2.17 2.31 3.89 -1.23 0.00 -1.26 -5.06 105.19 106.01 2vml n GLY 70 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.20 1.75 0.00 -0.02 0.00 0.10 -5.00 107.32 101.95 2vml s GLY 71 Ca 0.00 -0.32 0.30 0.00 0.00 0.00 0.00 44.72 44.70 2vml s GLY 71 CO 0.00 -0.14 2.04 -2.01 0.00 0.00 0.00 173.10 172.99 2vml n ASN 72 N -1.74 0.24 -1.10 1.64 2.85 -1.23 -2.58 115.26 113.35 2vml n ASN 72 Ca 0.02 -0.66 -0.01 0.00 -0.11 0.00 0.00 54.58 53.82 2vml n ASN 72 Cb 0.54 -0.11 0.21 0.00 1.24 0.00 0.00 39.78 41.67 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 -0.99 3.93 -2.68 5.20 0.00 -0.15 -4.63 120.51 121.20 2vml n ALA 73 Ca 0.18 -2.88 -0.19 0.00 0.00 0.00 0.00 53.44 50.55 2vml n ALA 73 Cb 0.21 -0.75 -0.14 0.00 0.00 0.00 0.00 19.45 18.77 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 -3.12 0.84 0.00 0.00 5.04 -1.06 -3.61 117.35 115.44 2vml s TYR 74 Ca 0.44 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.89 2vml s TYR 74 Cb 0.39 -0.54 0.00 0.00 0.35 0.00 0.00 41.96 42.16 2vml s TYR 74 CO 0.03 -0.01 0.00 -0.35 -1.34 0.00 0.00 175.55 173.87 2vml n PRO 75 N 2.73 2.69 -0.28 4.97 -0.04 -1.26 -4.65 135.00 139.15 2vml n PRO 75 Ca -0.14 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 2vml n PRO 75 Cb 0.57 0.00 0.38 0.00 -0.04 0.00 0.00 33.50 34.40 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 0.66 -0.76 3.54 2.35 -2.00 -2.05 115.58 117.33 2vml h ASN 76 Ca 0.00 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 2vml h ASN 76 Cb 0.00 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2vml h ASN 76 CO 0.00 0.32 0.28 -0.09 -1.65 0.00 0.00 177.43 176.29 2vml h ARG 77 N 0.69 1.15 -0.10 0.81 2.43 -1.94 -0.23 114.38 117.19 2vml h ARG 77 Ca 0.47 -0.22 -0.24 0.00 -0.81 0.00 0.00 59.98 59.18 2vml h ARG 77 Cb 0.77 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2vml h ARG 77 CO -0.23 0.95 -0.86 0.00 -1.51 0.00 0.00 179.97 178.33 2vml h ARG 78 N 1.11 0.76 -0.32 0.20 3.08 -1.70 -2.00 114.38 115.51 2vml h ARG 78 Ca 0.25 -0.68 0.02 0.00 0.07 0.00 0.00 59.98 59.63 2vml h ARG 78 Cb 0.25 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2vml h ARG 78 CO -0.02 1.28 0.18 1.98 -1.07 0.00 0.00 179.97 182.32 2vml h MET 79 N 0.49 0.36 -0.61 0.04 4.05 -1.17 0.37 114.93 118.45 2vml h MET 79 Ca -0.08 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.34 2vml h MET 79 Cb 1.49 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 32.18 2vml h MET 79 CO 0.17 0.24 0.38 0.00 0.23 0.00 0.00 176.91 177.93 2vml h ALA 80 N 1.15 0.79 -0.83 0.39 0.00 -1.06 -0.79 119.26 118.91 2vml h ALA 80 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2vml h ALA 80 Cb 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2vml h ALA 80 CO -0.07 0.14 0.54 0.00 0.00 0.00 0.00 179.25 179.86 2vml h ALA 81 N 1.26 1.06 0.10 0.00 0.00 -1.06 -1.02 119.26 119.58 2vml h ALA 81 Ca 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2vml h ALA 81 Cb -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2vml h ALA 81 CO -0.09 0.48 -0.05 0.00 0.00 0.00 0.00 179.25 179.59 2vml h LEU 83 N -0.20 0.89 -0.54 0.00 3.38 -1.03 -2.23 115.31 115.59 2vml h LEU 83 Ca -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2vml h LEU 83 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2vml h LEU 83 CO 0.02 0.69 0.30 -0.09 0.09 0.00 0.00 178.44 179.45 2vml h ARG 84 N 1.03 0.74 -0.90 1.13 2.43 -0.96 -2.38 114.38 115.47 2vml h ARG 84 Ca 0.27 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2vml h ARG 84 Cb -0.04 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 2vml h ARG 84 CO -0.05 0.56 0.59 -0.44 -1.51 0.00 0.00 179.97 179.12 2vml h ASP 85 N 0.72 0.98 -0.23 -3.80 5.19 -0.77 -0.79 116.42 117.72 2vml h ASP 85 Ca 0.19 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 2vml h ASP 85 Cb 0.03 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 2vml h ASP 85 CO -0.03 0.68 0.08 0.24 -3.12 0.00 0.00 179.24 177.08 2vml h MET 86 N 1.14 0.35 -0.38 3.56 2.86 -1.21 -1.81 114.93 119.43 2vml h MET 86 Ca 0.35 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.96 2vml h MET 86 Cb -0.01 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 2vml h MET 86 CO -0.10 0.43 0.13 1.49 1.06 0.00 0.00 176.91 179.92 2vml h GLU 87 N 0.20 0.28 -0.04 1.72 4.22 -1.18 -1.10 114.58 118.69 2vml h GLU 87 Ca 0.07 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.51 2vml h GLU 87 Cb 0.22 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2vml h GLU 87 CO -0.00 0.19 -0.05 0.82 -2.18 0.00 0.00 179.01 177.78 2vml h ILE 88 N 0.29 0.85 -0.57 2.32 2.04 -1.00 0.02 117.51 121.46 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 0.15 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2vml h ILE 88 CO -0.18 0.00 0.20 0.40 0.00 0.00 0.00 178.15 178.57 2vml h ILE 89 N -0.07 1.23 -0.37 -0.67 2.04 -1.23 -1.64 117.51 116.80 2vml h ILE 89 Ca 0.04 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 2vml h ILE 89 Cb 0.12 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2vml h ILE 89 CO -0.09 0.29 0.02 0.25 0.00 0.00 0.00 178.15 178.63 2vml h LEU 90 N 0.79 0.53 -0.10 1.44 5.85 -1.00 -0.63 115.31 122.20 2vml h LEU 90 Ca 0.19 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2vml h LEU 90 Cb 0.25 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2vml h LEU 90 CO -0.01 0.59 0.01 -0.09 -0.34 0.00 0.00 178.44 178.59 2vml h ARG 91 N 0.55 0.17 -0.19 1.25 2.43 -0.51 -2.51 114.38 115.57 2vml h ARG 91 Ca 0.12 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 2vml h ARG 91 Cb 0.32 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2vml h ARG 91 CO 0.01 0.41 -0.34 1.88 -1.51 0.00 0.00 179.97 180.41 2vml h TYR 92 N -0.09 0.45 -0.40 2.20 0.05 -1.15 -1.84 116.97 116.18 2vml h TYR 92 Ca 0.03 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.70 2vml h TYR 92 Cb 0.33 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 2vml h TYR 92 CO 0.03 0.69 0.25 0.28 -1.05 0.00 0.00 178.16 178.36 2vml h VAL 93 N 0.34 1.12 -0.13 -2.88 2.07 -1.13 -1.98 116.25 113.65 2vml h VAL 93 Ca 0.04 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 2vml h VAL 93 Cb 0.77 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2vml h VAL 93 CO 0.06 0.12 -0.34 0.77 0.02 0.00 0.00 177.57 178.20 2vml h SER 94 N 0.53 0.26 -0.29 0.57 4.64 -1.20 -1.56 113.55 116.51 2vml h SER 94 Ca 0.15 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2vml h SER 94 Cb -0.03 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 2vml h SER 94 CO -0.03 0.59 0.16 1.88 -0.87 0.00 0.00 176.83 178.56 2vml h TYR 95 N 0.22 0.40 -0.94 4.77 0.05 -1.19 -2.33 116.97 117.95 2vml h TYR 95 Ca 0.03 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.86 2vml h TYR 95 Cb 0.71 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.26 2vml h TYR 95 CO 0.01 0.33 0.61 0.00 -1.05 0.00 0.00 178.16 178.06 2vml h ALA 96 N 1.03 1.47 -0.20 3.88 0.00 -1.00 -1.57 119.26 122.86 2vml h ALA 96 Ca 0.10 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2vml h ALA 96 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2vml h ALA 96 CO -0.02 0.40 -0.39 1.25 0.00 0.00 0.00 179.25 180.49 2vml h LEU 97 N 1.09 0.48 -0.20 0.00 5.85 -1.14 0.17 115.31 121.56 2vml h LEU 97 Ca 0.40 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 2vml h LEU 97 Cb 0.17 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2vml h LEU 97 CO -0.15 0.82 -0.01 0.25 -0.34 0.00 0.00 178.44 179.01 2vml h LEU 98 N 0.38 0.35 -1.61 2.25 5.85 -1.11 -3.26 115.31 118.16 2vml h LEU 98 Ca 0.04 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 2vml h LEU 98 Cb 0.86 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2vml h LEU 98 CO 0.07 0.58 -0.11 0.00 -0.34 0.00 0.00 178.44 178.64 2vml h ALA 99 N 0.78 1.68 -0.76 1.25 0.00 -1.15 -3.47 119.26 117.58 2vml h ALA 99 Ca 0.05 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2vml h ALA 99 Cb 0.41 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2vml h ALA 99 CO 0.01 0.24 -0.18 0.41 0.00 0.00 0.00 179.25 179.73 2vml n GLY 100 N -1.07 0.60 3.49 0.00 0.00 0.58 -1.39 105.19 107.39 2vml n GLY 100 Ca -0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.78 -0.65 0.00 1.61 2.15 -0.99 -4.21 116.67 111.81 2vml s ASP 101 Ca 0.00 1.19 0.30 0.00 0.43 0.00 0.00 52.55 54.48 2vml s ASP 101 Cb 0.00 1.18 1.56 0.00 -0.30 0.00 0.00 42.92 45.36 2vml s ASP 101 CO 0.00 -0.21 2.06 0.00 -0.17 0.00 0.00 175.17 176.86 2vml n ALA 102 N 3.13 2.57 -0.30 3.66 0.00 -1.26 -4.38 120.51 123.93 2vml n ALA 102 Ca -0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.10 2vml n ALA 102 Cb 0.56 -1.47 0.17 0.00 0.00 0.00 0.00 19.45 18.71 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 0.11 1.02 -0.77 0.00 4.64 -1.96 -0.98 113.55 115.61 2vml h SER 103 Ca 0.00 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 2vml h SER 103 Cb 0.23 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 2vml h SER 103 CO 0.00 0.74 0.33 1.62 -0.87 0.00 0.00 176.83 178.65 2vml h VAL 104 N 1.20 1.25 -0.18 0.95 3.04 -1.83 0.22 116.25 120.91 2vml h VAL 104 Ca 0.32 -0.77 -0.02 0.00 -1.01 0.00 0.00 66.70 65.22 2vml h VAL 104 Cb -0.14 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 29.44 2vml h VAL 104 CO -0.07 0.32 0.03 0.25 -1.01 0.00 0.00 177.57 177.09 2vml h LEU 105 N 1.13 0.28 0.12 3.16 5.85 -1.55 -1.65 115.31 122.64 2vml h LEU 105 Ca 0.26 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2vml h LEU 105 Cb 0.18 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2vml h LEU 105 CO -0.03 0.46 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.40 2vml h GLU 106 N 0.08 -0.16 -0.20 1.25 4.57 -1.02 -1.01 114.58 118.10 2vml h GLU 106 Ca 0.05 0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.09 2vml h GLU 106 Cb 0.30 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2vml h GLU 106 CO 0.00 -0.02 -0.47 -0.44 -1.18 0.00 0.00 179.01 176.90 2vml h ASP 107 N -0.25 0.76 -0.03 1.04 3.32 -0.60 -1.25 116.42 119.41 2vml h ASP 107 Ca -0.02 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.47 2vml h ASP 107 Cb 0.20 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2vml h ASP 107 CO 0.03 1.19 -0.01 0.54 -1.72 0.00 0.00 179.24 179.26 2vml n ARG 108 N -4.18 1.85 0.11 3.56 1.74 -0.62 -4.65 116.66 114.48 2vml n ARG 108 Ca -0.06 -1.70 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 2vml n ARG 108 Cb 0.58 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 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 -9.03 0.00 3.38 -1.15 -3.41 115.31 105.10 2vml h LEU 110 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 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 0.77 1.42 0.21 0.09 0.00 0.00 178.44 180.93 2vml s ASN 111 N -6.60 5.67 0.00 -0.43 2.47 -0.48 -2.01 114.94 113.56 2vml s ASN 111 Ca 0.02 1.94 0.00 0.00 0.42 0.00 0.00 52.86 55.24 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 -1.78 0.00 0.61 -3.72 0.00 0.00 177.10 172.99 2vml n GLY 112 N 5.51 0.76 0.21 1.21 0.00 -1.26 -4.94 105.19 106.67 2vml n GLY 112 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 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 0.90 -0.80 0.99 5.85 -1.65 -2.55 115.31 118.06 2vml h LEU 113 Ca 0.00 -0.68 0.06 0.00 0.84 0.00 0.00 57.88 58.10 2vml h LEU 113 Cb 0.00 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.70 2vml h LEU 113 CO 0.00 1.45 0.48 0.50 -0.34 0.00 0.00 178.44 180.53 2vml h LYS 114 N 0.43 0.85 -0.49 1.25 3.64 -1.79 -1.36 116.57 119.11 2vml h LYS 114 Ca -0.09 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2vml h LYS 114 Cb 1.51 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 2vml h LYS 114 CO 0.18 0.56 0.23 0.93 -2.27 0.00 0.00 179.45 179.08 2vml h GLU 115 N 0.87 0.71 -0.31 1.90 3.07 -1.91 -0.15 114.58 118.75 2vml h GLU 115 Ca 0.36 -0.10 0.05 0.00 -0.50 0.00 0.00 59.36 59.16 2vml h GLU 115 Cb 0.20 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 27.93 2vml h GLU 115 CO -0.18 0.59 0.02 1.15 -1.40 0.00 0.00 179.01 179.19 2vml h THR 116 N 0.65 0.80 -0.77 1.13 2.02 -1.08 -1.25 112.91 114.40 2vml h THR 116 Ca 0.17 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 2vml h THR 116 Cb 0.12 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2vml h THR 116 CO -0.02 0.02 0.32 1.88 0.37 0.00 0.00 175.52 178.10 2vml h TYR 117 N 0.12 1.16 -0.59 3.16 0.05 -0.90 -1.81 116.97 118.16 2vml h TYR 117 Ca 0.15 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 2vml h TYR 117 Cb 0.19 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 2vml h TYR 117 CO -0.21 0.87 0.17 0.28 -1.05 0.00 0.00 178.16 178.23 2vml h VAL 118 N 1.11 1.24 -0.94 -2.88 2.07 -0.84 -1.02 116.25 115.01 2vml h VAL 118 Ca 0.26 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2vml h VAL 118 Cb 0.19 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 2vml h VAL 118 CO -0.02 0.32 0.60 0.00 0.02 0.00 0.00 177.57 178.48 2vml h ALA 119 N 1.05 1.29 0.00 1.67 0.00 -1.10 -2.86 119.26 119.31 2vml h ALA 119 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2vml h ALA 119 Cb 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2vml h ALA 119 CO -0.00 0.64 0.00 -0.07 0.00 0.00 0.00 179.25 179.81 2vml h LEU 120 N 1.28 0.00 0.12 0.00 3.38 -1.00 -3.47 115.31 115.61 2vml h LEU 120 Ca 0.34 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 2vml h LEU 120 Cb -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2vml h LEU 120 CO -0.07 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 179.02 2vml n GLY 121 N 0.80 0.58 3.71 0.83 0.00 -0.55 -5.04 105.19 105.53 2vml n GLY 121 Ca 0.04 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.09 4.63 -0.41 2.61 2.01 -0.50 -4.96 115.64 116.94 2vml s THR 122 Ca 0.00 1.89 -0.28 0.00 0.31 0.00 0.00 61.69 63.61 2vml s THR 122 Cb 0.00 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 2vml s THR 122 CO 0.00 0.12 1.70 -2.16 -0.69 0.00 0.00 174.62 173.59 2vml s PRO 123 N 1.20 3.28 0.42 4.92 0.04 -1.26 -4.45 135.00 139.15 2vml s PRO 123 Ca 0.53 1.13 0.12 0.00 0.04 0.00 0.00 61.00 62.82 2vml s PRO 123 Cb -0.23 -4.18 0.91 0.00 0.04 0.00 0.00 34.50 31.04 2vml s PRO 123 CO 0.27 -1.93 1.98 1.79 0.04 0.00 0.00 177.00 179.14 2vml h THR 124 N 6.72 1.14 0.00 1.26 1.35 -1.91 -1.96 112.91 119.51 2vml h THR 124 Ca -0.31 -0.60 -0.12 0.00 -0.55 0.00 0.00 66.41 64.84 2vml h THR 124 Cb 1.15 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.72 2vml h THR 124 CO 1.08 0.18 -0.57 0.03 -0.25 0.00 0.00 175.52 176.00 2vml h ARG 125 N 0.16 0.00 -0.10 4.72 3.08 -1.90 -0.70 114.38 119.64 2vml h ARG 125 Ca 0.03 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 2vml h ARG 125 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2vml h ARG 125 CO 0.02 0.57 -0.59 0.77 -1.07 0.00 0.00 179.97 179.66 2vml h SER 126 N 0.00 0.35 -0.24 7.04 0.02 -1.77 -0.99 113.55 117.96 2vml h SER 126 Ca -0.01 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 2vml h SER 126 Cb 1.15 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 2vml h SER 126 CO 0.07 0.86 -0.04 0.58 -1.14 0.00 0.00 176.83 177.17 2vml h VAL 127 N 0.24 1.27 -0.71 2.27 2.07 -1.20 -2.24 116.25 117.94 2vml h VAL 127 Ca -0.00 -1.01 0.07 0.00 0.82 0.00 0.00 66.70 66.58 2vml h VAL 127 Cb 1.10 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 2vml h VAL 127 CO 0.10 0.31 0.39 0.00 0.02 0.00 0.00 177.57 178.39 2vml h ALA 128 N 0.78 0.97 -0.71 1.67 0.00 -1.07 -1.47 119.26 119.42 2vml h ALA 128 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2vml h ALA 128 Cb 0.48 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2vml h ALA 128 CO 0.02 0.04 0.46 -0.09 0.00 0.00 0.00 179.25 179.68 2vml h ARG 129 N 0.69 0.94 -0.67 0.00 9.65 -1.07 -0.38 114.38 123.55 2vml h ARG 129 Ca 0.33 -0.06 0.06 0.00 -1.10 0.00 0.00 59.98 59.20 2vml h ARG 129 Cb 0.27 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.58 2vml h ARG 129 CO -0.22 0.64 0.38 0.00 2.80 0.00 0.00 179.97 183.57 2vml h ALA 130 N 1.25 0.89 -0.24 2.80 0.00 -0.82 0.99 119.26 124.14 2vml h ALA 130 Ca 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2vml h ALA 130 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2vml h ALA 130 CO -0.05 0.06 0.08 0.28 0.00 0.00 0.00 179.25 179.62 2vml h VAL 131 N 0.70 1.18 -0.55 0.00 2.07 -0.84 -1.39 116.25 117.42 2vml h VAL 131 Ca 0.30 -0.58 0.09 0.00 0.82 0.00 0.00 66.70 67.33 2vml h VAL 131 Cb 0.17 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 2vml h VAL 131 CO -0.18 0.19 0.14 1.56 0.02 0.00 0.00 177.57 179.30 2vml h GLN 132 N 0.22 0.28 -0.61 1.57 4.20 -0.69 -0.82 115.11 119.26 2vml h GLN 132 Ca 0.08 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 2vml h GLN 132 Cb 0.21 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2vml h GLN 132 CO -0.00 0.18 0.07 -0.07 -0.67 0.00 0.00 178.83 178.34 2vml h LEU 133 N 0.29 0.97 -0.80 1.46 3.38 -0.58 -2.61 115.31 117.42 2vml h LEU 133 Ca 0.28 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2vml h LEU 133 Cb 0.38 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2vml h LEU 133 CO -0.34 0.99 0.17 0.24 0.09 0.00 0.00 178.44 179.59 2vml h MET 134 N 0.95 1.08 -0.43 1.13 2.86 -0.88 -2.51 114.93 117.12 2vml h MET 134 Ca 0.19 -0.25 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 2vml h MET 134 Cb 0.45 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.90 2vml h MET 134 CO 0.02 0.94 0.09 -0.22 1.06 0.00 0.00 176.91 178.80 2vml h LYS 135 N 1.03 0.22 -0.18 1.72 3.64 -0.90 0.17 116.57 122.27 2vml h LYS 135 Ca 0.22 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2vml h LYS 135 Cb 0.35 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2vml h LYS 135 CO -0.00 0.15 0.09 0.93 -2.27 0.00 0.00 179.45 178.35 2vml h GLU 136 N 0.23 0.25 -0.41 1.90 5.08 -1.26 -0.31 114.58 120.06 2vml h GLU 136 Ca 0.21 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 2vml h GLU 136 Cb 0.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2vml h GLU 136 CO -0.27 0.27 -0.21 1.15 -1.00 0.00 0.00 179.01 178.96 2vml h THR 137 N 0.17 1.28 -0.40 1.13 2.02 -1.36 -2.10 112.91 113.64 2vml h THR 137 Ca 0.06 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 65.89 2vml h THR 137 Cb 0.10 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2vml h THR 137 CO -0.01 0.45 0.24 0.00 0.37 0.00 0.00 175.52 176.58 2vml h ALA 138 N 0.82 0.51 -0.77 6.16 0.00 -0.57 -2.48 119.26 122.92 2vml h ALA 138 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2vml h ALA 138 Cb 0.77 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2vml h ALA 138 CO 0.06 -0.00 0.43 0.82 0.00 0.00 0.00 179.25 180.56 2vml h ILE 139 N 0.52 1.23 -0.66 0.00 2.04 -1.06 -1.83 117.51 117.75 2vml h ILE 139 Ca 0.14 -0.55 0.13 0.00 1.00 0.00 0.00 64.86 65.58 2vml h ILE 139 Cb -0.00 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.18 2vml h ILE 139 CO -0.03 0.25 0.18 1.23 0.00 0.00 0.00 178.15 179.78 2vml h GLY 140 N 1.07 0.91 1.18 5.37 0.00 -1.14 -0.59 103.07 109.86 2vml h GLY 140 Ca 0.27 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.42 2vml h GLY 140 CO -0.05 -0.12 -0.16 -0.97 0.00 0.00 0.00 176.54 175.24 2vml h TYR 141 N 0.31 1.07 -0.88 5.60 0.05 -1.15 -1.02 116.97 120.96 2vml h TYR 141 Ca 0.36 -0.23 0.02 0.00 0.05 0.00 0.00 58.73 58.92 2vml h TYR 141 Cb 0.55 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.98 2vml h TYR 141 CO -0.23 1.03 0.58 0.28 -1.05 0.00 0.00 178.16 178.77 2vml h VAL 142 N 0.83 1.19 0.00 -2.88 2.07 -0.79 -2.61 116.25 114.07 2vml h VAL 142 Ca 0.12 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2vml h VAL 142 Cb 0.72 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2vml h VAL 142 CO 0.06 0.21 -0.04 0.78 0.02 0.00 0.00 177.57 178.59 2vml h ASN 143 N 1.15 0.00 -1.87 0.57 2.35 -0.86 -3.38 115.58 113.53 2vml h ASN 143 Ca 0.33 -0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.51 2vml h ASN 143 Cb -0.07 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 37.89 2vml h ASN 143 CO -0.08 0.00 -0.76 -1.20 -1.65 0.00 0.00 177.43 173.74 2vml n SER 144 N -2.91 4.11 -4.81 5.81 7.64 -0.41 -5.09 113.62 117.95 2vml n SER 144 Ca 0.04 -3.59 -0.29 0.00 1.01 0.00 0.00 58.87 56.05 2vml n SER 144 Cb 0.51 -0.52 0.12 0.00 -1.01 0.00 0.00 64.21 63.31 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 -3.40 1.42 -0.27 1.43 0.04 -1.21 -4.87 135.00 128.14 2vml s PRO 145 Ca 0.46 0.28 -0.13 0.00 0.04 0.00 0.00 61.00 61.65 2vml s PRO 145 Cb 0.35 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.97 2vml s PRO 145 CO -0.14 -2.00 0.29 -1.12 0.04 0.00 0.00 177.00 174.07 2vml s SER 146 N -4.14 6.16 -1.55 6.66 0.01 -1.26 -4.59 113.70 114.99 2vml s SER 146 Ca 0.63 0.17 0.00 0.00 1.31 0.00 0.00 55.95 58.06 2vml s SER 146 Cb -0.14 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2vml s SER 146 CO 0.52 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.66 2vml n GLY 147 N 4.83 -0.05 3.84 3.44 0.00 -1.26 -5.01 105.19 110.98 2vml n GLY 147 Ca -0.11 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.84 4.78 0.24 1.61 1.01 -1.26 -5.05 120.40 118.90 2vml s VAL 148 Ca 0.00 0.95 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 2vml s VAL 148 Cb 0.00 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 2vml s VAL 148 CO 0.00 0.23 1.66 -0.89 0.00 0.00 0.00 175.10 176.09 2vml s THR 149 N -1.49 2.08 0.34 3.92 2.01 -1.26 -4.92 115.64 116.31 2vml s THR 149 Ca 0.39 0.06 -0.27 0.00 0.31 0.00 0.00 61.69 62.18 2vml s THR 149 Cb -0.15 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 2vml s THR 149 CO 0.20 0.01 1.08 -0.60 -0.69 0.00 0.00 174.62 174.61 2vml s ARG 150 N 0.43 4.40 0.00 4.92 3.00 -1.26 -4.97 118.95 125.46 2vml s ARG 150 Ca 0.69 1.68 0.00 0.00 -1.00 0.00 0.00 55.73 57.10 2vml s ARG 150 Cb -0.49 -2.88 0.00 0.00 0.00 0.00 0.00 34.95 31.59 2vml s ARG 150 CO 0.39 0.03 0.00 0.41 0.00 0.00 0.00 175.30 176.13 2vml n GLY 151 N 0.80 -1.22 3.46 8.12 0.00 -1.26 -5.12 105.19 109.96 2vml n GLY 151 Ca 0.02 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -4.00 5.89 -0.10 1.61 2.15 -1.26 -4.92 116.67 116.04 2vml s ASP 152 Ca 0.00 -0.67 0.13 0.00 0.43 0.00 0.00 52.55 52.45 2vml s ASP 152 Cb 0.00 -2.09 0.37 0.00 -0.30 0.00 0.00 42.92 40.90 2vml s ASP 152 CO 0.00 -0.30 1.29 0.00 -0.17 0.00 0.00 175.17 175.99 2vml h SER 154 N 1.47 0.43 -0.44 0.00 4.64 -1.98 0.57 113.55 118.22 2vml h SER 154 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2vml h SER 154 Cb 1.06 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 2vml h SER 154 CO 0.10 0.22 0.28 0.00 -0.87 0.00 0.00 176.83 176.56 2vml h ALA 155 N 1.48 0.56 -0.56 5.18 0.00 -1.99 0.98 119.26 124.91 2vml h ALA 155 Ca 0.39 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 2vml h ALA 155 Cb 0.48 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2vml h ALA 155 CO -0.32 0.03 -0.06 -0.07 0.00 0.00 0.00 179.25 178.84 2vml h LEU 156 N 0.60 1.02 -0.48 0.00 3.38 -1.68 -1.19 115.31 116.96 2vml h LEU 156 Ca 0.16 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.82 2vml h LEU 156 Cb -0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 2vml h LEU 156 CO -0.03 1.11 0.29 0.58 0.09 0.00 0.00 178.44 180.48 2vml h VAL 157 N 0.91 1.06 -0.93 1.22 2.07 -0.73 -0.19 116.25 119.66 2vml h VAL 157 Ca 0.15 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2vml h VAL 157 Cb 0.62 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2vml h VAL 157 CO 0.04 0.11 0.58 0.78 0.02 0.00 0.00 177.57 179.10 2vml h ASN 158 N 0.59 1.10 -0.40 0.57 2.35 -0.57 -1.56 115.58 117.66 2vml h ASN 158 Ca 0.19 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 2vml h ASN 158 Cb -0.00 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 2vml h ASN 158 CO -0.08 0.83 -0.08 -0.08 -1.65 0.00 0.00 177.43 176.37 2vml h GLU 159 N 1.28 0.77 -0.28 0.81 4.81 -0.92 -2.10 114.58 118.94 2vml h GLU 159 Ca 0.34 -0.29 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2vml h GLU 159 Cb -0.09 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2vml h GLU 159 CO -0.07 0.89 0.14 0.00 -0.73 0.00 0.00 179.01 179.25 2vml h ALA 160 N 0.85 0.34 -0.73 2.92 0.00 -0.74 -2.47 119.26 119.44 2vml h ALA 160 Ca 0.10 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.14 2vml h ALA 160 Cb 0.60 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 2vml h ALA 160 CO 0.04 -0.25 0.33 0.00 0.00 0.00 0.00 179.25 179.37 2vml h ALA 161 N 1.14 1.03 -1.01 0.00 0.00 -1.21 -1.84 119.26 117.37 2vml h ALA 161 Ca 0.12 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2vml h ALA 161 Cb 0.03 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2vml h ALA 161 CO -0.08 -0.13 0.66 1.79 0.00 0.00 0.00 179.25 181.49 2vml h THR 162 N 0.52 1.17 -0.37 0.00 1.35 -0.92 0.20 112.91 114.87 2vml h THR 162 Ca 0.38 -0.44 -0.08 0.00 -0.55 0.00 0.00 66.41 65.73 2vml h THR 162 Cb 0.51 -0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 66.70 2vml h THR 162 CO -0.34 0.23 -0.08 1.88 -0.25 0.00 0.00 175.52 176.97 2vml h TYR 163 N 1.28 0.79 -0.09 4.73 0.05 -1.11 0.93 116.97 123.55 2vml h TYR 163 Ca 0.40 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 2vml h TYR 163 Cb 0.00 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 2vml h TYR 163 CO -0.00 0.84 0.05 0.74 -1.05 0.00 0.00 178.16 178.74 2vml h PHE 164 N 0.50 0.13 -0.39 4.88 0.04 -1.05 -2.25 116.94 118.81 2vml h PHE 164 Ca 0.10 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2vml h PHE 164 Cb 0.58 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 2vml h PHE 164 CO 0.05 0.18 0.19 -0.44 -0.60 0.00 0.00 178.31 177.69 2vml h ASP 165 N 0.04 0.48 0.09 2.17 3.32 -0.54 -1.31 116.42 120.67 2vml h ASP 165 Ca 0.03 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.05 2vml h ASP 165 Cb 0.09 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2vml h ASP 165 CO -0.00 0.41 -0.11 0.50 -1.72 0.00 0.00 179.24 178.31 2vml h LYS 166 N 0.54 -0.23 -0.06 3.56 3.64 -0.69 -1.18 116.57 122.16 2vml h LYS 166 Ca 0.14 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2vml h LYS 166 Cb 0.05 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2vml h LYS 166 CO -0.02 -0.15 0.04 0.00 -2.27 0.00 0.00 179.45 177.04 2vml h ALA 167 N 0.65 0.08 -0.58 5.00 0.00 -0.78 -1.23 119.26 122.39 2vml h ALA 167 Ca 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2vml h ALA 167 Cb 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2vml h ALA 167 CO -0.05 -0.43 0.38 0.00 0.00 0.00 0.00 179.25 179.15 2vml h ALA 168 N 1.02 0.74 -0.20 0.00 0.00 -1.22 -1.40 119.26 118.20 2vml h ALA 168 Ca 0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2vml h ALA 168 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2vml h ALA 168 CO -0.01 0.15 -0.46 0.00 0.00 0.00 0.00 179.25 178.93 2vml h ALA 169 N 1.22 0.83 -0.21 0.00 0.00 -1.11 -0.21 119.26 119.78 2vml h ALA 169 Ca 0.22 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2vml h ALA 169 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2vml h ALA 169 CO -0.06 0.66 -0.27 1.03 0.00 0.00 0.00 179.25 180.61 2vml h SER 170 N 0.41 0.40 0.03 0.00 0.87 -0.86 -3.31 113.55 111.08 2vml h SER 170 Ca 0.03 -0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 60.31 2vml h SER 170 Cb 0.97 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 2vml h SER 170 CO 0.09 0.66 -0.74 0.40 -0.53 0.00 0.00 176.83 176.71 2vml h ILE 171 N 0.35 1.33 0.00 2.23 2.04 -1.16 -3.40 117.51 118.90 2vml h ILE 171 Ca 0.05 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.61 2vml h ILE 171 Cb 0.66 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 2vml h ILE 171 CO 0.05 0.52 0.00 0.00 0.00 0.00 0.00 178.15 178.72