#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 2.35 0.52 2.12 -1.52 -1.26 -5.06 119.66 116.81 2vml s GLN 2 Ca 0.00 -1.08 0.00 0.00 -1.95 0.00 0.00 55.36 52.33 2vml s GLN 2 Cb 0.00 -2.35 0.00 0.00 -0.22 0.00 0.00 33.01 30.44 2vml s GLN 2 CO 0.00 0.47 0.01 -0.40 -0.25 0.00 0.00 175.29 175.12 2vml n ASP 3 N 0.08 3.42 -0.27 5.90 5.68 -1.26 -4.64 116.55 125.46 2vml n ASP 3 Ca -0.10 -3.25 0.06 0.00 -0.50 0.00 0.00 54.79 51.00 2vml n ASP 3 Cb 0.54 0.35 0.29 0.00 -1.14 0.00 0.00 41.12 41.17 2vml n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2vml h ALA 4 N 1.25 1.62 -0.21 2.12 0.00 -1.45 0.10 119.26 122.70 2vml h ALA 4 Ca -0.43 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 2vml h ALA 4 Cb 1.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2vml h ALA 4 CO 0.71 0.22 -0.40 0.74 0.00 0.00 0.00 179.25 180.52 2vml h PHE 5 N 0.90 0.81 -0.34 0.00 0.04 -1.94 -2.99 116.94 113.42 2vml h PHE 5 Ca 0.39 -0.29 -0.14 0.00 2.80 0.00 0.00 57.97 60.72 2vml h PHE 5 Cb 0.33 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 2vml h PHE 5 CO -0.00 1.05 -0.37 1.15 -0.60 0.00 0.00 178.31 179.54 2vml h THR 6 N 0.33 1.28 -0.84 -1.55 2.02 -1.85 -2.42 112.91 109.89 2vml h THR 6 Ca 0.01 -1.54 0.05 0.00 0.77 0.00 0.00 66.41 65.70 2vml h THR 6 Cb 1.01 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 68.78 2vml h THR 6 CO 0.09 0.50 0.53 0.50 0.37 0.00 0.00 175.52 177.51 2vml h LYS 7 N 0.65 0.96 -0.38 6.66 3.64 -1.02 -2.01 116.57 125.06 2vml h LYS 7 Ca 0.06 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 2vml h LYS 7 Cb 0.92 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2vml h LYS 7 CO 0.08 0.63 -0.10 0.00 -2.27 0.00 0.00 179.45 177.80 2vml h ALA 8 N 1.38 0.53 -0.66 5.00 0.00 -1.35 -2.98 119.26 121.17 2vml h ALA 8 Ca 0.35 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2vml h ALA 8 Cb 0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2vml h ALA 8 CO -0.15 0.39 0.41 0.82 0.00 0.00 0.00 179.25 180.72 2vml h ILE 9 N 0.55 1.07 -0.74 0.00 2.04 -1.31 -0.53 117.51 118.60 2vml h ILE 9 Ca 0.10 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 2vml h ILE 9 Cb 0.62 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2vml h ILE 9 CO 0.04 0.14 0.25 0.58 0.00 0.00 0.00 178.15 179.16 2vml h VAL 10 N 0.79 1.26 -0.25 1.67 2.07 -1.37 -0.29 116.25 120.13 2vml h VAL 10 Ca 0.27 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 2vml h VAL 10 Cb 0.04 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2vml h VAL 10 CO -0.11 0.35 -0.16 0.00 0.02 0.00 0.00 177.57 177.66 2vml h ALA 11 N 1.13 0.36 -0.33 1.67 0.00 -1.35 -2.62 119.26 118.11 2vml h ALA 11 Ca 0.24 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2vml h ALA 11 Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2vml h ALA 11 CO -0.01 0.26 0.02 0.00 0.00 0.00 0.00 179.25 179.51 2vml h ALA 12 N 0.71 1.41 -0.29 0.00 0.00 -0.91 -2.84 119.26 117.34 2vml h ALA 12 Ca 0.05 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2vml h ALA 12 Cb 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2vml h ALA 12 CO 0.04 0.42 -0.37 0.22 0.00 0.00 0.00 179.25 179.56 2vml h ASP 13 N 0.49 0.69 0.12 0.00 3.58 -0.98 -1.02 116.42 119.30 2vml h ASP 13 Ca 0.11 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 2vml h ASP 13 Cb 0.30 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 2vml h ASP 13 CO 0.01 1.00 -0.07 -0.07 -2.88 0.00 0.00 179.24 177.22 2vml h LEU 14 N 0.55 0.00 -0.08 2.28 3.38 -1.22 0.16 115.31 120.37 2vml h LEU 14 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2vml h LEU 14 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2vml h LEU 14 CO 0.08 0.07 -0.18 0.54 0.09 0.00 0.00 178.44 179.04 2vml n ARG 15 N -4.08 0.25 -1.94 1.13 1.74 -1.05 -4.94 116.66 107.77 2vml n ARG 15 Ca -0.03 -0.08 -0.10 0.00 -0.77 0.00 0.00 57.85 56.87 2vml n ARG 15 Cb 0.16 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 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 1.42 0.29 3.38 -0.13 0.00 0.04 -5.02 105.19 105.17 2vml n GLY 16 Ca 0.09 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.65 3.22 0.72 1.61 0.01 -0.42 -5.01 113.70 111.19 2vml s SER 17 Ca 0.00 -0.75 -0.16 0.00 1.31 0.00 0.00 55.95 56.35 2vml s SER 17 Cb 0.00 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.05 2vml s SER 17 CO 0.00 0.16 1.25 -0.36 0.41 0.00 0.00 173.24 174.70 2vml s PHE 18 N -1.10 1.96 0.35 2.43 0.08 -1.26 -4.26 117.98 116.18 2vml s PHE 18 Ca 0.13 1.57 -0.28 0.00 0.12 0.00 0.00 56.93 58.47 2vml s PHE 18 Cb -0.10 -3.59 -0.12 0.00 -0.57 0.00 0.00 43.02 38.64 2vml s PHE 18 CO 0.06 -2.87 1.39 1.28 -0.10 0.00 0.00 175.22 174.98 2vml n LEU 19 N -2.54 4.10 -4.86 -0.37 4.77 -1.26 -5.00 117.00 111.84 2vml n LEU 19 Ca 0.15 1.21 -0.30 0.00 -0.03 0.00 0.00 56.01 57.04 2vml n LEU 19 Cb 0.49 -1.55 0.06 0.00 -2.33 0.00 0.00 43.42 40.10 2vml n LEU 19 CO 0.47 -0.18 0.74 -0.94 -1.33 0.00 0.00 177.39 176.15 2vml s SER 20 N -0.19 5.09 0.23 -1.43 1.04 -1.26 -4.88 113.70 112.30 2vml s SER 20 Ca 0.55 1.15 -0.07 0.00 0.48 0.00 0.00 55.95 58.06 2vml s SER 20 Cb -0.53 -1.90 0.31 0.00 0.10 0.00 0.00 66.02 64.00 2vml s SER 20 CO 0.62 -1.57 1.81 -0.08 0.98 0.00 0.00 173.24 175.00 2vml h GLU 21 N -0.81 0.70 -0.47 4.02 4.57 -1.98 -0.14 114.58 120.46 2vml h GLU 21 Ca -0.46 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2vml h GLU 21 Cb 1.26 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 2vml h GLU 21 CO 0.63 0.46 0.30 0.37 -1.18 0.00 0.00 179.01 179.59 2vml h GLN 22 N 0.72 0.63 -0.39 1.92 -0.00 -1.99 0.12 115.11 116.13 2vml h GLN 22 Ca 0.34 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.65 58.88 2vml h GLN 22 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.60 2vml h GLN 22 CO -0.22 0.44 -0.02 0.93 0.00 0.00 0.00 178.83 179.96 2vml h GLU 23 N 0.64 0.70 -0.61 1.69 5.08 -1.80 -2.52 114.58 117.75 2vml h GLU 23 Ca 0.17 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2vml h GLU 23 Cb -0.04 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2vml h GLU 23 CO -0.03 0.80 0.22 -0.07 -1.00 0.00 0.00 179.01 178.93 2vml h LEU 24 N 0.52 0.83 -0.85 1.33 3.38 -0.79 -2.44 115.31 117.29 2vml h LEU 24 Ca 0.11 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2vml h LEU 24 Cb 0.50 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2vml h LEU 24 CO 0.02 0.76 -0.33 0.78 0.09 0.00 0.00 178.44 179.77 2vml h ASN 25 N 0.89 0.48 0.80 -0.43 2.35 -0.67 0.37 115.58 119.36 2vml h ASN 25 Ca 0.21 -0.18 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 2vml h ASN 25 Cb 0.21 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2vml h ASN 25 CO -0.01 0.78 -0.60 1.56 -1.65 0.00 0.00 177.43 177.51 2vml h GLN 26 N 0.40 0.00 -0.03 0.81 1.08 -1.16 -2.11 115.11 114.10 2vml h GLN 26 Ca 0.05 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.00 2vml h GLN 26 Cb 0.77 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.22 2vml h GLN 26 CO 0.06 0.60 -0.94 -0.07 -0.95 0.00 0.00 178.83 177.54 2vml h LEU 27 N 0.00 0.88 -0.73 1.46 3.38 -1.28 -2.73 115.31 116.29 2vml h LEU 27 Ca -0.01 -0.72 0.07 0.00 0.09 0.00 0.00 57.88 57.32 2vml h LEU 27 Cb 1.16 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 2vml h LEU 27 CO 0.08 1.47 0.41 0.74 0.09 0.00 0.00 178.44 181.23 2vml h THR 28 N 0.36 0.94 -0.06 0.22 2.02 -0.88 -1.35 112.91 114.17 2vml h THR 28 Ca -0.11 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 2vml h THR 28 Cb 1.59 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2vml h THR 28 CO 0.19 0.13 -0.42 -1.13 0.37 0.00 0.00 175.52 174.66 2vml h ASN 29 N 0.72 0.14 -0.53 4.18 -0.73 -1.39 -1.32 115.58 116.65 2vml h ASN 29 Ca 0.34 -0.06 -0.06 0.00 1.87 0.00 0.00 56.30 58.39 2vml h ASN 29 Cb 0.26 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.79 2vml h ASN 29 CO -0.21 0.55 0.11 0.25 -0.37 0.00 0.00 177.43 177.75 2vml h LEU 30 N 0.12 0.82 -0.74 0.34 6.46 -1.10 -2.00 115.31 119.21 2vml h LEU 30 Ca 0.01 -0.25 0.02 0.00 -0.12 0.00 0.00 57.88 57.54 2vml h LEU 30 Cb 0.79 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.46 2vml h LEU 30 CO 0.06 0.86 0.48 0.58 -0.62 0.00 0.00 178.44 179.80 2vml h VAL 31 N 0.75 1.15 -0.83 1.05 2.07 -0.99 -1.95 116.25 117.50 2vml h VAL 31 Ca 0.16 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2vml h VAL 31 Cb 0.37 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 2vml h VAL 31 CO 0.01 0.17 0.40 0.50 0.02 0.00 0.00 177.57 178.68 2vml h LYS 32 N 0.96 1.18 -0.12 1.57 3.64 -1.07 -2.66 116.57 120.07 2vml h LYS 32 Ca 0.28 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2vml h LYS 32 Cb -0.05 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.55 2vml h LYS 32 CO -0.09 0.90 0.00 0.39 -2.27 0.00 0.00 179.45 178.39 2vml n GLU 33 N -4.31 1.65 0.24 1.90 -0.58 -0.77 -4.51 120.64 114.26 2vml n GLU 33 Ca 0.08 -0.97 0.12 0.00 -0.42 0.00 0.00 57.16 55.97 2vml n GLU 33 Cb 0.13 -1.41 0.58 0.00 -0.57 0.00 0.00 31.44 30.17 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 2.04 0.00 -0.18 1.62 4.64 -0.98 -2.14 113.55 118.54 2vml h SER 34 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2vml h SER 34 Cb 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2vml h SER 34 CO 0.00 0.16 -0.22 0.78 -0.87 0.00 0.00 176.83 176.69 2vml h ASN 35 N 0.00 0.51 -0.77 4.97 2.35 -1.81 -0.95 115.58 119.88 2vml h ASN 35 Ca -0.00 -0.50 0.05 0.00 -0.55 0.00 0.00 56.30 55.30 2vml h ASN 35 Cb 0.59 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.77 2vml h ASN 35 CO 0.02 0.90 0.47 0.11 -1.65 0.00 0.00 177.43 177.28 2vml h LYS 36 N 0.12 0.85 -0.67 0.81 1.57 -1.81 -0.98 116.57 116.47 2vml h LYS 36 Ca 0.02 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2vml h LYS 36 Cb 0.78 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 2vml h LYS 36 CO 0.05 0.56 0.40 -0.09 -0.57 0.00 0.00 179.45 179.81 2vml h ARG 37 N 0.88 0.75 -0.51 3.15 2.43 -1.22 0.22 114.38 120.08 2vml h ARG 37 Ca 0.33 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.38 2vml h ARG 37 Cb 0.12 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2vml h ARG 37 CO -0.15 0.49 0.04 -0.07 -1.51 0.00 0.00 179.97 178.77 2vml h LEU 38 N 0.77 0.79 -0.57 3.80 3.38 -0.65 -1.07 115.31 121.75 2vml h LEU 38 Ca 0.28 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2vml h LEU 38 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2vml h LEU 38 CO -0.13 0.83 0.19 0.44 0.09 0.00 0.00 178.44 179.86 2vml h ASP 39 N 0.78 0.82 -0.43 -0.43 3.32 -0.80 -1.44 116.42 118.23 2vml h ASP 39 Ca 0.16 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2vml h ASP 39 Cb 0.42 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2vml h ASP 39 CO 0.01 0.79 0.15 0.00 -1.72 0.00 0.00 179.24 178.47 2vml h ALA 40 N 1.05 0.57 -0.69 3.45 0.00 -0.68 -0.26 119.26 122.71 2vml h ALA 40 Ca 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2vml h ALA 40 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2vml h ALA 40 CO -0.01 0.20 0.22 0.28 0.00 0.00 0.00 179.25 179.95 2vml h VAL 41 N 0.56 1.25 -0.31 0.00 2.07 -1.21 -2.84 116.25 115.77 2vml h VAL 41 Ca 0.14 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 2vml h VAL 41 Cb 0.24 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2vml h VAL 41 CO -0.01 0.34 0.07 -1.13 0.02 0.00 0.00 177.57 176.86 2vml h ASN 42 N 1.00 0.41 -0.52 0.57 -1.24 -1.08 -1.96 115.58 112.76 2vml h ASN 42 Ca 0.22 -0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.13 2vml h ASN 42 Cb 0.29 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.21 2vml h ASN 42 CO -0.01 0.42 0.15 0.00 -1.29 0.00 0.00 177.43 176.70 2vml h ALA 43 N 1.64 1.19 -0.00 1.57 0.00 -0.80 -0.32 119.26 122.54 2vml h ALA 43 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2vml h ALA 43 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2vml h ALA 43 CO -0.00 0.56 -0.06 0.82 0.00 0.00 0.00 179.25 180.56 2vml h ILE 44 N 0.84 1.57 -0.48 0.00 2.04 -1.42 -3.20 117.51 116.87 2vml h ILE 44 Ca 0.19 -1.78 0.02 0.00 1.00 0.00 0.00 64.86 64.29 2vml h ILE 44 Cb 0.29 2.75 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 2vml h ILE 44 CO -0.00 0.47 0.29 0.74 0.00 0.00 0.00 178.15 179.64 2vml h THR 45 N -0.66 1.05 0.00 -0.27 2.02 -1.39 -0.71 112.91 112.94 2vml h THR 45 Ca -0.01 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2vml h THR 45 Cb 0.80 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2vml h THR 45 CO 0.01 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.62 2vml n GLY 46 N -1.23 -1.30 0.35 2.16 0.00 -0.13 -3.34 105.19 101.69 2vml n GLY 46 Ca 0.03 0.06 0.06 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 -2.16 1.36 -0.04 1.61 3.02 -1.03 -4.92 115.26 113.09 2vml n ASN 47 Ca 0.03 -2.69 -0.10 0.00 -0.03 0.00 0.00 54.58 51.79 2vml n ASN 47 Cb 0.25 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 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 0.14 0.24 -0.97 5.41 0.00 -1.14 -0.95 119.26 121.99 2vml h ALA 48 Ca -0.01 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2vml h ALA 48 Cb 1.20 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2vml h ALA 48 CO 0.01 -0.30 0.63 0.00 0.00 0.00 0.00 179.25 179.59 2vml h ALA 49 N 1.09 1.28 0.01 0.00 0.00 -1.88 -2.22 119.26 117.54 2vml h ALA 49 Ca 0.08 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 2vml h ALA 49 Cb -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2vml h ALA 49 CO -0.04 0.52 -0.95 1.49 0.00 0.00 0.00 179.25 180.27 2vml h GLU 50 N 1.22 0.35 -0.44 0.00 4.57 -1.88 -0.98 114.58 117.42 2vml h GLU 50 Ca 0.38 -0.39 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2vml h GLU 50 Cb -0.00 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2vml h GLU 50 CO -0.12 1.08 0.24 0.82 -1.18 0.00 0.00 179.01 179.85 2vml h ILE 51 N 0.19 1.00 -0.03 2.32 2.04 -0.91 0.14 117.51 122.27 2vml h ILE 51 Ca -0.08 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2vml h ILE 51 Cb 1.60 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2vml h ILE 51 CO 0.16 0.09 -0.00 0.40 0.00 0.00 0.00 178.15 178.80 2vml h ILE 52 N 0.48 1.27 -0.48 -0.67 2.04 -1.34 -2.02 117.51 116.80 2vml h ILE 52 Ca 0.19 -0.82 -0.08 0.00 1.00 0.00 0.00 64.86 65.15 2vml h ILE 52 Cb 0.06 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2vml h ILE 52 CO -0.11 0.22 -0.02 -1.28 0.00 0.00 0.00 178.15 176.96 2vml h SER 53 N -0.28 0.78 -0.02 1.72 0.87 -1.12 0.27 113.55 115.77 2vml h SER 53 Ca 0.01 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2vml h SER 53 Cb 0.36 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2vml h SER 53 CO 0.00 0.86 0.00 -0.78 -0.53 0.00 0.00 176.83 176.38 2vml h ASP 54 N 0.75 0.03 -0.56 6.23 3.58 -0.75 -2.10 116.42 123.60 2vml h ASP 54 Ca 0.14 -0.27 0.05 0.00 0.42 0.00 0.00 57.03 57.37 2vml h ASP 54 Cb 0.48 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.47 2vml h ASP 54 CO 0.02 0.29 0.29 0.00 -2.88 0.00 0.00 179.24 176.97 2vml h ALA 55 N 0.74 0.73 -0.07 -0.78 0.00 -1.28 -2.30 119.26 116.30 2vml h ALA 55 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2vml h ALA 55 Cb 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2vml h ALA 55 CO 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 179.25 179.24 2vml h ALA 56 N 1.30 0.09 -0.45 0.00 0.00 -0.96 -0.54 119.26 118.70 2vml h ALA 56 Ca 0.25 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2vml h ALA 56 Cb 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2vml h ALA 56 CO -0.17 -0.38 0.17 0.45 0.00 0.00 0.00 179.25 179.32 2vml h HIS 57 N 0.04 0.29 -0.58 0.00 -0.00 -1.28 -2.14 115.15 111.48 2vml h HIS 57 Ca 0.03 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.34 2vml h HIS 57 Cb 0.06 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 2vml h HIS 57 CO -0.05 0.11 0.04 0.87 -0.00 0.00 0.00 177.93 178.90 2vml h LYS 58 N 0.34 0.98 -0.28 2.45 1.57 -1.30 -2.09 116.57 118.24 2vml h LYS 58 Ca 0.21 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2vml h LYS 58 Cb 0.20 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2vml h LYS 58 CO -0.21 0.94 0.15 1.25 -0.57 0.00 0.00 179.45 181.01 2vml h LEU 59 N 0.91 0.35 -0.02 2.94 5.85 -0.73 -1.37 115.31 123.24 2vml h LEU 59 Ca 0.17 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2vml h LEU 59 Cb 0.47 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2vml h LEU 59 CO 0.02 0.34 0.00 0.49 -0.34 0.00 0.00 178.44 178.95 2vml n PHE 60 N -4.83 0.56 0.10 1.25 3.72 -0.84 -0.29 117.46 117.13 2vml n PHE 60 Ca -0.02 0.17 -0.17 0.00 -0.05 0.00 0.00 57.45 57.38 2vml n PHE 60 Cb 0.08 -0.77 -0.14 0.00 -0.94 0.00 0.00 39.48 37.71 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 2.70 0.11 0.04 4.37 0.00 -1.24 -3.29 119.26 121.95 2vml h ALA 61 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 54.91 53.74 2vml h ALA 61 Cb 0.63 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2vml h ALA 61 CO 0.00 0.99 -1.01 0.93 0.00 0.00 0.00 179.25 180.16 2vml h GLU 62 N 0.08 0.24 -2.61 0.00 5.08 -0.78 -3.40 114.58 113.18 2vml h GLU 62 Ca -0.17 -0.31 -0.60 0.00 -1.00 0.00 0.00 59.36 57.27 2vml h GLU 62 Cb 2.00 0.10 -0.40 0.00 0.50 0.00 0.00 28.75 30.95 2vml h GLU 62 CO 0.20 1.07 -0.77 1.04 -1.00 0.00 0.00 179.01 179.55 2vml n GLN 63 N -3.61 1.26 0.16 2.33 6.02 0.60 -4.95 117.38 119.19 2vml n GLN 63 Ca -0.05 -3.94 0.13 0.00 -0.01 0.00 0.00 57.00 53.13 2vml n GLN 63 Cb 0.89 -1.97 0.55 0.00 1.02 0.00 0.00 30.24 30.73 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 4.06 0.00 0.00 5.09 1.35 -1.79 -2.81 112.91 118.81 2vml h THR 64 Ca 0.19 -0.27 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 2vml h THR 64 Cb 0.81 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2vml h THR 64 CO 0.59 0.00 -0.05 -2.24 -0.25 0.00 0.00 175.52 173.57 2vml h ASP 65 N 0.00 0.00 0.85 5.36 2.03 -1.92 -2.86 116.42 119.89 2vml h ASP 65 Ca 0.00 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.19 2vml h ASP 65 Cb 0.37 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.85 2vml h ASP 65 CO 0.00 0.05 -0.52 -0.07 -1.03 0.00 0.00 179.24 177.67 2vml h LEU 66 N 0.00 0.00 -3.25 0.15 3.38 -1.86 -3.26 115.31 110.46 2vml h LEU 66 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2vml h LEU 66 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2vml h LEU 66 CO 0.01 0.52 0.00 2.30 0.09 0.00 0.00 178.44 181.36 2vml n ILE 67 N -3.57 2.16 -4.10 1.22 -5.35 -1.08 -1.19 119.36 107.45 2vml n ILE 67 Ca -0.00 -1.61 -0.26 0.00 -0.27 0.00 0.00 62.75 60.61 2vml n ILE 67 Cb 0.60 -0.12 -0.05 0.00 -1.74 0.00 0.00 39.64 38.33 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 2.86 0.15 6.28 0.52 -1.22 -4.93 118.95 120.13 2vml s ARG 68 Ca 0.43 -0.92 -0.34 0.00 -0.52 0.00 0.00 55.73 54.38 2vml s ARG 68 Cb 0.32 -2.61 -0.16 0.00 0.52 0.00 0.00 34.95 33.03 2vml s ARG 68 CO 0.13 0.47 1.25 -2.30 0.02 0.00 0.00 175.30 174.87 2vml n PRO 69 N -0.46 1.24 0.00 3.54 -0.02 -1.26 -0.19 135.00 137.85 2vml n PRO 69 Ca -0.08 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2vml n PRO 69 Cb 0.55 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 2.25 2.58 3.89 -1.23 0.00 -1.26 -5.06 105.19 106.36 2vml n GLY 70 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.36 1.68 0.00 -0.02 0.00 0.74 -5.00 107.32 102.36 2vml s GLY 71 Ca 0.00 -0.40 0.30 0.00 0.00 0.00 0.00 44.72 44.62 2vml s GLY 71 CO 0.00 -0.22 2.01 -2.01 0.00 0.00 0.00 173.10 172.87 2vml n ASN 72 N -1.83 0.29 -1.21 1.64 2.85 -1.22 -2.45 115.26 113.33 2vml n ASN 72 Ca 0.01 -0.66 -0.02 0.00 -0.11 0.00 0.00 54.58 53.80 2vml n ASN 72 Cb 0.55 -0.10 0.22 0.00 1.24 0.00 0.00 39.78 41.68 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 -0.96 4.04 -2.64 5.20 0.00 -0.34 -4.61 120.51 121.19 2vml n ALA 73 Ca 0.17 -2.83 -0.20 0.00 0.00 0.00 0.00 53.44 50.59 2vml n ALA 73 Cb 0.23 -0.82 -0.14 0.00 0.00 0.00 0.00 19.45 18.71 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 1.03 0.00 0.00 5.04 -1.02 -3.41 117.35 115.88 2vml s TYR 74 Ca 0.45 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 2vml s TYR 74 Cb 0.39 -0.65 0.00 0.00 0.35 0.00 0.00 41.96 42.05 2vml s TYR 74 CO 0.04 -0.01 0.00 -0.35 -1.34 0.00 0.00 175.55 173.89 2vml n PRO 75 N 2.58 3.02 -0.34 4.97 -0.04 -1.26 -4.59 135.00 139.34 2vml n PRO 75 Ca -0.15 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.40 2vml n PRO 75 Cb 0.56 0.00 0.28 0.00 -0.04 0.00 0.00 33.50 34.30 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 0.86 -0.79 3.54 2.35 -2.00 -2.10 115.58 117.43 2vml h ASN 76 Ca 0.00 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2vml h ASN 76 Cb 0.00 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 2vml h ASN 76 CO 0.00 0.44 0.44 -0.09 -1.65 0.00 0.00 177.43 176.57 2vml h ARG 77 N 0.91 1.10 -0.14 0.81 2.43 -1.94 0.27 114.38 117.82 2vml h ARG 77 Ca 0.49 -0.12 -0.17 0.00 -0.81 0.00 0.00 59.98 59.37 2vml h ARG 77 Cb 0.57 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2vml h ARG 77 CO -0.26 0.80 -0.56 0.00 -1.51 0.00 0.00 179.97 178.44 2vml h ARG 78 N 1.10 0.63 -0.23 0.20 3.08 -1.70 -2.25 114.38 115.21 2vml h ARG 78 Ca 0.28 -0.49 0.04 0.00 0.07 0.00 0.00 59.98 59.88 2vml h ARG 78 Cb 0.02 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2vml h ARG 78 CO -0.05 1.11 -0.03 1.98 -1.07 0.00 0.00 179.97 181.91 2vml h MET 79 N 0.29 0.03 -0.61 0.04 4.05 -1.20 0.22 114.93 117.75 2vml h MET 79 Ca -0.03 -0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.48 2vml h MET 79 Cb 1.20 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.92 2vml h MET 79 CO 0.12 0.02 0.21 0.00 0.23 0.00 0.00 176.91 177.49 2vml h ALA 80 N 1.22 0.77 -0.56 0.39 0.00 -0.97 -0.01 119.26 120.09 2vml h ALA 80 Ca 0.11 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2vml h ALA 80 Cb 0.16 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2vml h ALA 80 CO -0.21 -0.21 0.11 0.00 0.00 0.00 0.00 179.25 178.93 2vml h ALA 81 N 1.43 1.13 0.20 0.00 0.00 -0.96 -1.29 119.26 119.77 2vml h ALA 81 Ca 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2vml h ALA 81 Cb 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2vml h ALA 81 CO -0.32 0.58 -0.09 0.00 0.00 0.00 0.00 179.25 179.41 2vml h LEU 83 N -0.40 1.07 -0.78 0.00 3.38 -0.93 -2.16 115.31 115.48 2vml h LEU 83 Ca -0.03 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2vml h LEU 83 Cb 0.31 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2vml h LEU 83 CO 0.04 0.73 0.52 -0.09 0.09 0.00 0.00 178.44 179.73 2vml h ARG 84 N 1.24 1.02 -0.75 1.13 2.43 -1.18 -1.81 114.38 116.46 2vml h ARG 84 Ca 0.40 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 2vml h ARG 84 Cb 0.02 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 2vml h ARG 84 CO -0.13 0.67 0.41 -0.44 -1.51 0.00 0.00 179.97 178.97 2vml h ASP 85 N 1.05 0.92 -0.42 -3.80 5.19 -0.81 -0.86 116.42 117.70 2vml h ASP 85 Ca 0.29 -0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.58 2vml h ASP 85 Cb -0.10 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.16 2vml h ASP 85 CO -0.07 0.74 0.08 0.24 -3.12 0.00 0.00 179.24 177.12 2vml h MET 86 N 1.04 0.68 -0.20 3.56 2.86 -1.10 -1.60 114.93 120.18 2vml h MET 86 Ca 0.26 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 2vml h MET 86 Cb 0.03 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 2vml h MET 86 CO -0.04 0.71 -0.02 1.49 1.06 0.00 0.00 176.91 180.10 2vml h GLU 87 N 0.54 0.03 -0.25 1.72 4.81 -1.12 -1.42 114.58 118.90 2vml h GLU 87 Ca 0.13 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2vml h GLU 87 Cb 0.34 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2vml h GLU 87 CO 0.00 0.02 0.15 0.82 -0.73 0.00 0.00 179.01 179.28 2vml h ILE 88 N 0.03 1.10 -0.36 2.32 2.04 -1.02 -1.37 117.51 120.24 2vml h ILE 88 Ca 0.09 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 2vml h ILE 88 Cb 0.13 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2vml h ILE 88 CO -0.18 0.09 0.11 0.40 0.00 0.00 0.00 178.15 178.58 2vml h ILE 89 N 0.31 1.21 -0.61 -0.67 2.04 -1.25 -2.03 117.51 116.51 2vml h ILE 89 Ca 0.09 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 2vml h ILE 89 Cb 0.02 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2vml h ILE 89 CO -0.02 0.24 0.38 0.25 0.00 0.00 0.00 178.15 179.00 2vml h LEU 90 N 0.43 0.72 -0.17 1.44 5.85 -1.12 -0.35 115.31 122.11 2vml h LEU 90 Ca 0.12 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2vml h LEU 90 Cb 0.25 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2vml h LEU 90 CO -0.00 0.54 0.01 -0.09 -0.34 0.00 0.00 178.44 178.56 2vml h ARG 91 N 0.84 0.30 -0.17 1.25 2.43 -0.96 -1.98 114.38 116.09 2vml h ARG 91 Ca 0.22 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 2vml h ARG 91 Cb -0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2vml h ARG 91 CO -0.04 0.50 -0.40 1.88 -1.51 0.00 0.00 179.97 180.39 2vml h TYR 92 N 0.06 0.44 -0.58 2.20 0.05 -1.11 -2.03 116.97 116.00 2vml h TYR 92 Ca 0.05 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 2vml h TYR 92 Cb 0.35 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 2vml h TYR 92 CO 0.03 0.72 0.30 0.28 -1.05 0.00 0.00 178.16 178.44 2vml h VAL 93 N 0.31 1.20 -0.16 -2.88 2.07 -1.01 -1.98 116.25 113.81 2vml h VAL 93 Ca 0.03 -0.54 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 2vml h VAL 93 Cb 0.85 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2vml h VAL 93 CO 0.07 0.22 -0.39 0.77 0.02 0.00 0.00 177.57 178.26 2vml h SER 94 N 0.78 0.36 -0.32 0.57 4.64 -1.20 -1.69 113.55 116.69 2vml h SER 94 Ca 0.20 -0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.39 2vml h SER 94 Cb 0.08 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 2vml h SER 94 CO -0.03 0.72 0.17 1.88 -0.87 0.00 0.00 176.83 178.70 2vml h TYR 95 N 0.29 0.32 -0.58 4.77 0.05 -1.26 -2.26 116.97 118.31 2vml h TYR 95 Ca 0.03 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2vml h TYR 95 Cb 0.82 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.43 2vml h TYR 95 CO 0.02 0.18 0.37 0.00 -1.05 0.00 0.00 178.16 177.68 2vml h ALA 96 N 1.15 1.56 -0.19 3.88 0.00 -1.10 -1.50 119.26 123.07 2vml h ALA 96 Ca 0.13 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2vml h ALA 96 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2vml h ALA 96 CO -0.07 0.39 -0.40 1.25 0.00 0.00 0.00 179.25 180.42 2vml h LEU 97 N 0.79 0.45 -0.23 0.00 5.85 -1.05 0.09 115.31 121.20 2vml h LEU 97 Ca 0.21 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2vml h LEU 97 Cb -0.07 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2vml h LEU 97 CO -0.04 0.80 -0.26 0.25 -0.34 0.00 0.00 178.44 178.85 2vml h LEU 98 N 0.35 0.63 -1.29 2.25 5.85 -1.04 -3.29 115.31 118.78 2vml h LEU 98 Ca 0.03 -0.49 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 2vml h LEU 98 Cb 0.86 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2vml h LEU 98 CO 0.07 0.99 -0.19 0.00 -0.34 0.00 0.00 178.44 178.97 2vml h ALA 99 N 0.66 1.41 -0.53 1.25 0.00 -1.21 -3.47 119.26 117.37 2vml h ALA 99 Ca 0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2vml h ALA 99 Cb 0.83 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2vml h ALA 99 CO 0.06 0.41 -0.13 0.41 0.00 0.00 0.00 179.25 180.00 2vml n GLY 100 N -0.72 0.57 3.51 0.00 0.00 -0.01 -1.54 105.19 106.99 2vml n GLY 100 Ca -0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.85 -0.68 0.00 1.61 2.15 -1.01 -4.21 116.67 111.68 2vml s ASP 101 Ca 0.00 1.24 0.30 0.00 0.43 0.00 0.00 52.55 54.52 2vml s ASP 101 Cb 0.00 1.22 1.58 0.00 -0.30 0.00 0.00 42.92 45.42 2vml s ASP 101 CO 0.00 -0.21 2.05 0.00 -0.17 0.00 0.00 175.17 176.84 2vml n ALA 102 N 3.17 2.65 -0.09 3.66 0.00 -1.26 -4.35 120.51 124.30 2vml n ALA 102 Ca -0.16 -0.24 0.01 0.00 0.00 0.00 0.00 53.44 53.06 2vml n ALA 102 Cb 0.56 -1.43 0.30 0.00 0.00 0.00 0.00 19.45 18.89 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 0.43 0.64 -0.65 0.00 4.64 -1.96 -0.75 113.55 115.90 2vml h SER 103 Ca 0.00 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 2vml h SER 103 Cb 0.20 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2vml h SER 103 CO 0.00 0.54 0.07 1.62 -0.87 0.00 0.00 176.83 178.20 2vml h VAL 104 N 0.72 1.26 -0.18 0.95 3.04 -1.82 0.14 116.25 120.37 2vml h VAL 104 Ca 0.18 -1.08 -0.01 0.00 -1.01 0.00 0.00 66.70 64.78 2vml h VAL 104 Cb 0.06 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 30.02 2vml h VAL 104 CO -0.03 0.40 0.06 0.25 -1.01 0.00 0.00 177.57 177.25 2vml h LEU 105 N 1.02 0.26 -0.17 3.16 5.85 -1.60 -1.66 115.31 122.17 2vml h LEU 105 Ca 0.19 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2vml h LEU 105 Cb 0.48 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2vml h LEU 105 CO 0.02 0.38 0.04 -0.08 -0.34 0.00 0.00 178.44 178.46 2vml h GLU 106 N 0.12 0.27 -0.14 1.25 4.57 -1.08 -1.10 114.58 118.47 2vml h GLU 106 Ca 0.06 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 58.00 2vml h GLU 106 Cb 0.21 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.77 2vml h GLU 106 CO -0.00 0.42 -0.56 -0.44 -1.18 0.00 0.00 179.01 177.24 2vml h ASP 107 N 0.08 0.75 -0.09 1.04 3.32 -0.70 -1.24 116.42 119.57 2vml h ASP 107 Ca 0.05 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2vml h ASP 107 Cb 0.27 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2vml h ASP 107 CO 0.00 1.24 0.00 0.54 -1.72 0.00 0.00 179.24 179.30 2vml n ARG 108 N -4.14 1.99 0.14 3.56 1.74 -0.63 -4.65 116.66 114.67 2vml n ARG 108 Ca -0.07 -1.83 0.00 0.00 -0.77 0.00 0.00 57.85 55.18 2vml n ARG 108 Cb 0.63 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 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 -9.12 0.00 3.38 -1.19 -3.41 115.31 104.97 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 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2vml h LEU 110 CO 0.00 0.83 1.38 0.21 0.09 0.00 0.00 178.44 180.94 2vml s ASN 111 N -6.70 5.87 0.00 -0.43 2.47 -0.47 -1.97 114.94 113.70 2vml s ASN 111 Ca 0.01 2.15 0.00 0.00 0.42 0.00 0.00 52.86 55.44 2vml s ASN 111 Cb 0.10 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 2vml s ASN 111 CO 0.79 -1.59 0.00 0.61 -3.72 0.00 0.00 177.10 173.19 2vml n GLY 112 N 5.26 0.66 0.18 1.21 0.00 -1.26 -4.94 105.19 106.29 2vml n GLY 112 Ca 0.25 0.00 -0.17 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 0.71 -0.96 0.99 5.85 -1.63 -2.71 115.31 117.56 2vml h LEU 113 Ca 0.00 -0.68 0.09 0.00 0.84 0.00 0.00 57.88 58.14 2vml h LEU 113 Cb 0.02 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.76 2vml h LEU 113 CO 0.00 1.28 0.60 0.50 -0.34 0.00 0.00 178.44 180.48 2vml h LYS 114 N 0.20 0.98 -0.62 1.25 3.64 -1.79 -1.30 116.57 118.92 2vml h LYS 114 Ca -0.06 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 2vml h LYS 114 Cb 1.31 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 2vml h LYS 114 CO 0.13 0.65 0.17 0.93 -2.27 0.00 0.00 179.45 179.06 2vml h GLU 115 N 1.01 0.99 -0.14 1.90 3.07 -1.92 -0.18 114.58 119.30 2vml h GLU 115 Ca 0.45 -0.23 0.03 0.00 -0.50 0.00 0.00 59.36 59.11 2vml h GLU 115 Cb 0.35 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 2vml h GLU 115 CO -0.23 0.88 -0.04 1.15 -1.40 0.00 0.00 179.01 179.38 2vml h THR 116 N 0.91 0.85 -0.61 1.13 2.02 -1.08 -1.30 112.91 114.82 2vml h THR 116 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 2vml h THR 116 Cb 0.33 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2vml h THR 116 CO -0.00 0.00 0.33 1.88 0.37 0.00 0.00 175.52 178.10 2vml h TYR 117 N -0.01 0.84 -0.57 3.16 0.05 -0.95 -1.72 116.97 117.77 2vml h TYR 117 Ca 0.07 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 2vml h TYR 117 Cb 0.11 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 2vml h TYR 117 CO -0.18 0.61 0.25 0.28 -1.05 0.00 0.00 178.16 178.07 2vml h VAL 118 N 0.83 1.22 -0.98 -2.88 2.07 -0.92 -0.30 116.25 115.29 2vml h VAL 118 Ca 0.21 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.11 2vml h VAL 118 Cb 0.05 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2vml h VAL 118 CO -0.03 0.25 0.65 0.00 0.02 0.00 0.00 177.57 178.46 2vml h ALA 119 N 1.09 1.31 0.00 1.67 0.00 -1.00 -2.73 119.26 119.60 2vml h ALA 119 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2vml h ALA 119 Cb 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2vml h ALA 119 CO -0.02 0.63 0.00 -0.07 0.00 0.00 0.00 179.25 179.79 2vml h LEU 120 N 1.32 0.00 0.04 0.00 3.38 -0.80 -3.47 115.31 115.77 2vml h LEU 120 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 2vml h LEU 120 Cb -0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2vml h LEU 120 CO -0.09 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.04 2vml n GLY 121 N 0.74 0.43 3.71 0.83 0.00 -0.24 -5.04 105.19 105.62 2vml n GLY 121 Ca 0.03 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.03 4.87 -0.45 2.61 2.01 -0.52 -4.96 115.64 117.18 2vml s THR 122 Ca 0.00 2.03 -0.28 0.00 0.31 0.00 0.00 61.69 63.75 2vml s THR 122 Cb 0.00 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 2vml s THR 122 CO 0.00 0.17 1.66 -2.16 -0.69 0.00 0.00 174.62 173.60 2vml s PRO 123 N 0.98 3.22 0.40 4.92 0.04 -1.26 -4.45 135.00 138.85 2vml s PRO 123 Ca 0.51 0.97 0.10 0.00 0.04 0.00 0.00 61.00 62.61 2vml s PRO 123 Cb -0.21 -4.19 0.84 0.00 0.04 0.00 0.00 34.50 30.98 2vml s PRO 123 CO 0.27 -2.01 1.96 1.79 0.04 0.00 0.00 177.00 179.05 2vml h THR 124 N 6.68 1.15 -0.03 1.26 1.35 -1.92 -1.90 112.91 119.50 2vml h THR 124 Ca -0.29 -0.62 -0.12 0.00 -0.55 0.00 0.00 66.41 64.83 2vml h THR 124 Cb 1.14 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 2vml h THR 124 CO 1.11 0.20 -0.56 0.03 -0.25 0.00 0.00 175.52 176.05 2vml h ARG 125 N 0.26 0.08 -0.17 4.72 3.08 -1.90 -0.90 114.38 119.56 2vml h ARG 125 Ca 0.06 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 2vml h ARG 125 Cb 0.27 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2vml h ARG 125 CO 0.01 0.62 -0.42 0.77 -1.07 0.00 0.00 179.97 179.87 2vml h SER 126 N 0.06 0.43 -0.20 7.04 0.02 -1.76 -0.51 113.55 118.63 2vml h SER 126 Ca -0.00 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 2vml h SER 126 Cb 1.00 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2vml h SER 126 CO 0.08 0.80 -0.01 0.58 -1.14 0.00 0.00 176.83 177.14 2vml h VAL 127 N 0.33 1.26 -0.72 2.27 2.07 -1.19 -1.97 116.25 118.30 2vml h VAL 127 Ca 0.03 -0.90 0.10 0.00 0.82 0.00 0.00 66.70 66.75 2vml h VAL 127 Cb 0.89 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 32.04 2vml h VAL 127 CO 0.07 0.27 0.35 0.00 0.02 0.00 0.00 177.57 178.29 2vml h ALA 128 N 0.78 1.00 -0.78 1.67 0.00 -1.05 -1.55 119.26 119.33 2vml h ALA 128 Ca 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2vml h ALA 128 Cb 0.41 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2vml h ALA 128 CO 0.01 -0.06 0.42 -0.09 0.00 0.00 0.00 179.25 179.53 2vml h ARG 129 N 0.59 1.08 -0.84 0.00 9.65 -0.99 -1.37 114.38 122.50 2vml h ARG 129 Ca 0.36 -0.13 0.03 0.00 -1.10 0.00 0.00 59.98 59.14 2vml h ARG 129 Cb 0.41 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.73 2vml h ARG 129 CO -0.29 0.80 0.54 0.00 2.80 0.00 0.00 179.97 183.83 2vml h ALA 130 N 1.22 1.10 -0.25 2.80 0.00 -0.60 -0.43 119.26 123.10 2vml h ALA 130 Ca 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2vml h ALA 130 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2vml h ALA 130 CO -0.04 0.38 0.08 0.28 0.00 0.00 0.00 179.25 179.95 2vml h VAL 131 N 1.06 1.19 -0.51 0.00 2.07 -0.91 -1.63 116.25 117.53 2vml h VAL 131 Ca 0.33 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2vml h VAL 131 Cb -0.01 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2vml h VAL 131 CO -0.11 0.20 0.29 1.56 0.02 0.00 0.00 177.57 179.53 2vml h GLN 132 N 0.24 0.57 -0.53 1.57 4.20 -0.99 -0.34 115.11 119.83 2vml h GLN 132 Ca 0.08 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2vml h GLN 132 Cb 0.23 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2vml h GLN 132 CO -0.00 0.38 0.26 -0.07 -0.67 0.00 0.00 178.83 178.72 2vml h LEU 133 N 0.58 0.66 -0.42 1.46 3.38 -1.01 -2.32 115.31 117.65 2vml h LEU 133 Ca 0.21 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 2vml h LEU 133 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2vml h LEU 133 CO -0.10 0.56 -0.32 0.24 0.09 0.00 0.00 178.44 178.90 2vml h MET 134 N 0.74 0.97 -0.60 1.13 2.86 -0.93 -2.85 114.93 116.25 2vml h MET 134 Ca 0.19 -0.47 0.11 0.00 -2.06 0.00 0.00 59.70 57.46 2vml h MET 134 Cb 0.07 -0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.64 2vml h MET 134 CO -0.03 1.14 0.13 -0.22 1.06 0.00 0.00 176.91 178.99 2vml h LYS 135 N 0.80 0.25 -0.17 1.72 3.64 -0.76 0.13 116.57 122.19 2vml h LYS 135 Ca 0.08 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2vml h LYS 135 Cb 0.92 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 2vml h LYS 135 CO 0.09 0.17 0.01 0.93 -2.27 0.00 0.00 179.45 178.37 2vml h GLU 136 N 0.26 0.29 -0.48 1.90 5.08 -1.40 -0.19 114.58 120.04 2vml h GLU 136 Ca 0.32 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 2vml h GLU 136 Cb 0.47 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2vml h GLU 136 CO -0.40 0.49 -0.08 1.15 -1.00 0.00 0.00 179.01 179.17 2vml h THR 137 N 0.05 1.27 -0.11 1.13 2.02 -1.43 -1.82 112.91 114.02 2vml h THR 137 Ca 0.05 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 66.03 2vml h THR 137 Cb 0.36 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2vml h THR 137 CO 0.01 0.41 0.07 0.00 0.37 0.00 0.00 175.52 176.38 2vml h ALA 138 N 0.90 0.13 -0.58 6.16 0.00 -0.64 -2.32 119.26 122.91 2vml h ALA 138 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2vml h ALA 138 Cb 0.62 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2vml h ALA 138 CO 0.04 -0.37 0.29 0.82 0.00 0.00 0.00 179.25 180.03 2vml h ILE 139 N 0.14 1.19 -0.68 0.00 2.04 -1.03 -1.56 117.51 117.60 2vml h ILE 139 Ca 0.04 -0.52 0.09 0.00 1.00 0.00 0.00 64.86 65.47 2vml h ILE 139 Cb -0.01 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 36.44 2vml h ILE 139 CO -0.01 0.22 0.33 1.23 0.00 0.00 0.00 178.15 179.92 2vml h GLY 140 N 0.91 1.01 1.39 5.37 0.00 -1.01 -1.81 103.07 108.93 2vml h GLY 140 Ca 0.21 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2vml h GLY 140 CO -0.03 0.06 -0.40 -0.97 0.00 0.00 0.00 176.54 175.19 2vml h TYR 141 N 0.57 0.79 -0.70 5.60 0.05 -0.87 -1.95 116.97 120.46 2vml h TYR 141 Ca 0.33 -0.23 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 2vml h TYR 141 Cb 0.35 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 2vml h TYR 141 CO -0.11 0.96 0.42 0.28 -1.05 0.00 0.00 178.16 178.66 2vml h VAL 142 N 0.54 1.20 0.00 -2.88 2.07 -1.04 -2.86 116.25 113.28 2vml h VAL 142 Ca 0.04 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2vml h VAL 142 Cb 0.93 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2vml h VAL 142 CO 0.08 0.21 -0.29 0.78 0.02 0.00 0.00 177.57 178.36 2vml h ASN 143 N 0.96 0.00 -2.08 0.57 2.35 -1.13 -3.40 115.58 112.86 2vml h ASN 143 Ca 0.25 -0.06 -0.53 0.00 -0.55 0.00 0.00 56.30 55.41 2vml h ASN 143 Cb -0.04 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 37.93 2vml h ASN 143 CO -0.05 0.03 -1.01 -1.54 -1.65 0.00 0.00 177.43 173.21 2vml n SER 144 N -2.46 1.68 -4.68 5.81 3.41 -0.75 -5.09 113.62 111.53 2vml n SER 144 Ca 0.04 -3.11 -0.29 0.00 -0.26 0.00 0.00 58.87 55.25 2vml n SER 144 Cb 0.47 -0.62 0.12 0.00 -0.26 0.00 0.00 64.21 63.92 2vml n SER 144 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2vml s PRO 145 N -2.35 1.60 -0.36 4.33 0.04 -1.22 -4.86 135.00 132.18 2vml s PRO 145 Ca 0.41 -0.09 -0.13 0.00 0.04 0.00 0.00 61.00 61.23 2vml s PRO 145 Cb 0.27 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.86 2vml s PRO 145 CO -0.09 -1.80 0.26 -1.12 0.04 0.00 0.00 177.00 174.29 2vml s SER 146 N -4.67 6.08 -1.10 6.66 0.01 -1.26 -4.55 113.70 114.87 2vml s SER 146 Ca 0.65 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2vml s SER 146 Cb -0.09 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2vml s SER 146 CO 0.50 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2vml n GLY 147 N 5.11 0.41 3.82 3.44 0.00 -1.26 -5.02 105.19 111.69 2vml n GLY 147 Ca -0.12 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.53 4.53 0.25 1.61 1.01 -1.26 -5.03 120.40 118.98 2vml s VAL 148 Ca 0.00 1.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.98 2vml s VAL 148 Cb 0.00 -3.82 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 2vml s VAL 148 CO 0.00 0.11 1.63 0.41 0.00 0.00 0.00 175.10 177.24 2vml n THR 149 N 0.46 0.60 -2.72 3.92 -1.04 -1.26 -4.92 114.28 109.32 2vml n THR 149 Ca -0.00 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.05 61.45 2vml n THR 149 Cb 0.51 -1.91 -0.05 0.00 -1.82 0.00 0.00 70.33 67.07 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 0.16 4.76 -0.00 -2.82 0.52 -1.26 -4.98 118.95 115.33 2vml s ARG 150 Ca 0.69 1.49 -0.02 0.00 -0.52 0.00 0.00 55.73 57.37 2vml s ARG 150 Cb -0.52 -3.32 0.01 0.00 0.52 0.00 0.00 34.95 31.63 2vml s ARG 150 CO 0.42 0.34 0.11 0.41 0.02 0.00 0.00 175.30 176.61 2vml n GLY 151 N 1.87 0.61 3.53 -3.53 0.00 -1.26 -5.14 105.19 101.27 2vml n GLY 151 Ca 0.00 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.25 6.00 -0.14 1.61 2.15 -1.26 -4.93 116.67 118.85 2vml s ASP 152 Ca 0.03 -0.38 0.16 0.00 0.43 0.00 0.00 52.55 52.79 2vml s ASP 152 Cb -0.00 -2.12 0.38 0.00 -0.30 0.00 0.00 42.92 40.88 2vml s ASP 152 CO -0.00 -0.21 1.27 0.00 -0.17 0.00 0.00 175.17 176.07 2vml h SER 154 N 0.97 0.93 -0.20 0.00 4.64 -1.99 0.56 113.55 118.46 2vml h SER 154 Ca 0.00 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2vml h SER 154 Cb 1.16 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2vml h SER 154 CO 0.10 0.58 0.12 0.00 -0.87 0.00 0.00 176.83 176.76 2vml h ALA 155 N 1.44 0.25 -0.57 5.18 0.00 -1.99 -0.60 119.26 122.97 2vml h ALA 155 Ca 0.42 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 2vml h ALA 155 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2vml h ALA 155 CO -0.19 -0.24 -0.05 -0.07 0.00 0.00 0.00 179.25 178.71 2vml h LEU 156 N 0.24 1.02 -0.09 0.00 3.38 -1.70 -0.53 115.31 117.62 2vml h LEU 156 Ca 0.07 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2vml h LEU 156 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2vml h LEU 156 CO -0.01 1.09 -0.04 0.58 0.09 0.00 0.00 178.44 180.15 2vml h VAL 157 N 0.93 0.87 -0.92 1.22 2.07 -0.85 0.21 116.25 119.78 2vml h VAL 157 Ca 0.16 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.76 2vml h VAL 157 Cb 0.60 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 2vml h VAL 157 CO 0.04 0.00 0.57 0.78 0.02 0.00 0.00 177.57 178.98 2vml h ASN 158 N -0.03 0.87 -0.51 0.57 2.35 -0.85 -0.87 115.58 117.11 2vml h ASN 158 Ca 0.05 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 2vml h ASN 158 Cb 0.10 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2vml h ASN 158 CO -0.11 0.52 0.02 -0.08 -1.65 0.00 0.00 177.43 176.13 2vml h GLU 159 N 0.99 0.88 -0.35 0.81 4.81 -0.77 -1.45 114.58 119.50 2vml h GLU 159 Ca 0.42 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2vml h GLU 159 Cb 0.28 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2vml h GLU 159 CO -0.21 0.90 0.23 0.00 -0.73 0.00 0.00 179.01 179.20 2vml h ALA 160 N 0.95 0.45 -0.71 2.92 0.00 -0.62 -2.69 119.26 119.56 2vml h ALA 160 Ca 0.15 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2vml h ALA 160 Cb 0.49 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 2vml h ALA 160 CO 0.02 -0.10 0.34 0.00 0.00 0.00 0.00 179.25 179.51 2vml h ALA 161 N 1.13 0.99 -0.99 0.00 0.00 -0.97 -1.77 119.26 117.65 2vml h ALA 161 Ca 0.13 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2vml h ALA 161 Cb -0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2vml h ALA 161 CO -0.03 -0.09 0.65 1.79 0.00 0.00 0.00 179.25 181.56 2vml h THR 162 N 0.56 1.10 -0.38 0.00 1.35 -0.94 0.25 112.91 114.84 2vml h THR 162 Ca 0.36 -0.40 -0.12 0.00 -0.55 0.00 0.00 66.41 65.70 2vml h THR 162 Cb 0.43 -0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 66.65 2vml h THR 162 CO -0.30 0.22 -0.23 1.88 -0.25 0.00 0.00 175.52 176.84 2vml h TYR 163 N 1.18 0.97 -0.28 4.73 0.05 -1.11 0.23 116.97 122.74 2vml h TYR 163 Ca 0.42 -0.25 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 2vml h TYR 163 Cb 0.14 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 2vml h TYR 163 CO -0.00 1.02 0.08 0.74 -1.05 0.00 0.00 178.16 178.96 2vml h PHE 164 N 0.63 0.45 -0.18 4.88 0.04 -1.03 -2.37 116.94 119.37 2vml h PHE 164 Ca 0.08 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 2vml h PHE 164 Cb 0.79 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 2vml h PHE 164 CO 0.06 0.48 -0.10 -0.44 -0.60 0.00 0.00 178.31 177.72 2vml h ASP 165 N 0.29 0.25 -0.50 2.17 3.32 -0.42 -1.59 116.42 119.95 2vml h ASP 165 Ca 0.09 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 2vml h ASP 165 Cb 0.25 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2vml h ASP 165 CO -0.00 0.39 -0.15 0.50 -1.72 0.00 0.00 179.24 178.26 2vml h LYS 166 N 0.26 1.00 -0.27 3.56 3.64 -0.45 -1.77 116.57 122.55 2vml h LYS 166 Ca 0.06 -0.38 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 2vml h LYS 166 Cb 0.34 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2vml h LYS 166 CO 0.02 1.06 0.09 0.00 -2.27 0.00 0.00 179.45 178.35 2vml h ALA 167 N 0.94 0.35 -0.32 5.00 0.00 -0.95 -2.00 119.26 122.28 2vml h ALA 167 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2vml h ALA 167 Cb 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2vml h ALA 167 CO 0.05 -0.03 0.16 0.00 0.00 0.00 0.00 179.25 179.43 2vml h ALA 168 N 0.93 0.41 -0.41 0.00 0.00 -1.30 -1.90 119.26 116.99 2vml h ALA 168 Ca 0.09 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2vml h ALA 168 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2vml h ALA 168 CO -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 179.25 179.09 2vml h ALA 169 N 1.02 1.00 -0.38 0.00 0.00 -1.35 0.31 119.26 119.86 2vml h ALA 169 Ca 0.11 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2vml h ALA 169 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2vml h ALA 169 CO -0.01 0.60 -0.08 1.03 0.00 0.00 0.00 179.25 180.79 2vml h SER 170 N 0.68 0.62 0.07 0.00 0.87 -1.18 -3.31 113.55 111.30 2vml h SER 170 Ca 0.11 -0.16 -0.21 0.00 -1.23 0.00 0.00 61.79 60.31 2vml h SER 170 Cb 0.60 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2vml h SER 170 CO 0.04 0.74 -1.07 0.40 -0.53 0.00 0.00 176.83 176.41 2vml h ILE 171 N 0.59 1.19 0.00 2.23 2.04 -1.12 -3.41 117.51 119.03 2vml h ILE 171 Ca 0.11 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.62 2vml h ILE 171 Cb 0.49 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 2vml h ILE 171 CO 0.03 0.60 0.00 0.00 0.00 0.00 0.00 178.15 178.78