#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 2.39 0.47 2.12 -1.52 -1.26 -5.07 119.66 116.78 2vml s GLN 2 Ca 0.00 -1.16 0.00 0.00 -1.95 0.00 0.00 55.36 52.25 2vml s GLN 2 Cb 0.00 -2.32 -0.00 0.00 -0.22 0.00 0.00 33.01 30.47 2vml s GLN 2 CO 0.00 0.44 0.00 -0.40 -0.25 0.00 0.00 175.29 175.08 2vml n ASP 3 N -0.26 3.26 -0.24 5.90 5.68 -1.26 -4.64 116.55 125.00 2vml n ASP 3 Ca -0.09 -3.05 0.08 0.00 -0.50 0.00 0.00 54.79 51.23 2vml n ASP 3 Cb 0.56 0.34 0.34 0.00 -1.14 0.00 0.00 41.12 41.22 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 1.71 -0.09 2.12 0.00 -1.41 -0.02 119.26 122.81 2vml h ALA 4 Ca -0.39 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2vml h ALA 4 Cb 1.17 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2vml h ALA 4 CO 0.64 0.13 -0.59 0.74 0.00 0.00 0.00 179.25 180.17 2vml h PHE 5 N 0.79 0.76 -0.59 0.00 0.04 -1.94 -3.03 116.94 112.97 2vml h PHE 5 Ca 0.37 -0.35 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 2vml h PHE 5 Cb 0.40 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 2vml h PHE 5 CO -0.00 1.15 -0.04 1.15 -0.60 0.00 0.00 178.31 179.97 2vml h THR 6 N 0.16 1.27 -0.76 -1.55 2.02 -1.91 -2.19 112.91 109.95 2vml h THR 6 Ca -0.05 -1.20 0.06 0.00 0.77 0.00 0.00 66.41 66.00 2vml h THR 6 Cb 1.24 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.44 2vml h THR 6 CO 0.12 0.43 0.44 0.50 0.37 0.00 0.00 175.52 177.39 2vml h LYS 7 N 0.96 0.78 -0.44 6.66 3.64 -1.03 -1.64 116.57 125.51 2vml h LYS 7 Ca 0.16 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2vml h LYS 7 Cb 0.61 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2vml h LYS 7 CO 0.04 0.52 -0.08 0.00 -2.27 0.00 0.00 179.45 177.65 2vml h ALA 8 N 1.38 0.60 -0.58 5.00 0.00 -1.37 -2.86 119.26 121.42 2vml h ALA 8 Ca 0.34 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2vml h ALA 8 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2vml h ALA 8 CO -0.18 0.46 0.38 0.82 0.00 0.00 0.00 179.25 180.73 2vml h ILE 9 N 0.65 1.13 -0.73 0.00 2.04 -1.22 -0.36 117.51 119.03 2vml h ILE 9 Ca 0.11 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2vml h ILE 9 Cb 0.61 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2vml h ILE 9 CO 0.04 0.14 0.42 0.58 0.00 0.00 0.00 178.15 179.33 2vml h VAL 10 N 0.77 1.21 -0.34 1.67 2.07 -1.25 -0.74 116.25 119.64 2vml h VAL 10 Ca 0.22 -0.50 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 2vml h VAL 10 Cb -0.07 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2vml h VAL 10 CO -0.06 0.23 -0.28 0.00 0.02 0.00 0.00 177.57 177.49 2vml h ALA 11 N 1.22 0.50 -0.34 1.67 0.00 -1.34 -2.65 119.26 118.31 2vml h ALA 11 Ca 0.26 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2vml h ALA 11 Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2vml h ALA 11 CO -0.05 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 2vml h ALA 12 N 0.75 1.36 -0.38 0.00 0.00 -0.88 -2.94 119.26 117.16 2vml h ALA 12 Ca 0.06 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2vml h ALA 12 Cb 0.85 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2vml h ALA 12 CO 0.07 0.44 -0.34 0.22 0.00 0.00 0.00 179.25 179.65 2vml h ASP 13 N 0.51 0.93 0.00 0.00 3.58 -1.07 -0.83 116.42 119.54 2vml h ASP 13 Ca 0.11 -0.40 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 2vml h ASP 13 Cb 0.34 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 2vml h ASP 13 CO 0.01 1.17 -0.00 -0.07 -2.88 0.00 0.00 179.24 177.47 2vml h LEU 14 N 0.73 0.00 -0.11 2.28 3.38 -1.30 0.43 115.31 120.72 2vml h LEU 14 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2vml h LEU 14 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2vml h LEU 14 CO 0.08 0.00 -0.14 0.54 0.09 0.00 0.00 178.44 179.02 2vml n ARG 15 N -4.34 0.38 -2.18 1.13 1.74 -1.07 -4.94 116.66 107.38 2vml n ARG 15 Ca -0.03 -0.11 -0.12 0.00 -0.77 0.00 0.00 57.85 56.81 2vml n ARG 15 Cb 0.09 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 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 1.37 -0.04 3.42 -0.13 0.00 0.14 -5.01 105.19 104.94 2vml n GLY 16 Ca 0.11 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 3.48 0.69 1.61 0.01 -0.35 -5.01 113.70 111.66 2vml s SER 17 Ca 0.00 -0.74 -0.16 0.00 1.31 0.00 0.00 55.95 56.36 2vml s SER 17 Cb 0.00 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 65.94 2vml s SER 17 CO 0.00 0.16 1.20 -0.36 0.41 0.00 0.00 173.24 174.65 2vml s PHE 18 N -1.26 2.19 0.38 2.43 0.08 -1.26 -4.24 117.98 116.30 2vml s PHE 18 Ca 0.17 1.57 -0.28 0.00 0.12 0.00 0.00 56.93 58.51 2vml s PHE 18 Cb -0.09 -3.45 -0.11 0.00 -0.57 0.00 0.00 43.02 38.79 2vml s PHE 18 CO 0.08 -2.44 1.47 1.28 -0.10 0.00 0.00 175.22 175.51 2vml n LEU 19 N -2.40 4.74 -4.84 -0.37 4.77 -1.26 -4.99 117.00 112.65 2vml n LEU 19 Ca 0.13 1.22 -0.30 0.00 -0.03 0.00 0.00 56.01 57.03 2vml n LEU 19 Cb 0.50 -1.61 0.07 0.00 -2.33 0.00 0.00 43.42 40.04 2vml n LEU 19 CO 0.47 0.10 0.73 -0.94 -1.33 0.00 0.00 177.39 176.42 2vml s SER 20 N -0.17 5.04 0.31 -1.43 1.04 -1.26 -4.87 113.70 112.36 2vml s SER 20 Ca 0.54 1.29 -0.00 0.00 0.48 0.00 0.00 55.95 58.25 2vml s SER 20 Cb -0.48 -2.08 0.50 0.00 0.10 0.00 0.00 66.02 64.06 2vml s SER 20 CO 0.63 -1.62 1.93 -0.08 0.98 0.00 0.00 173.24 175.08 2vml h GLU 21 N -0.85 0.90 -0.28 4.02 4.57 -1.98 0.11 114.58 121.07 2vml h GLU 21 Ca -0.46 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 2vml h GLU 21 Cb 1.25 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 2vml h GLU 21 CO 0.61 0.67 0.16 0.37 -1.18 0.00 0.00 179.01 179.63 2vml h GLN 22 N 0.90 0.39 -0.57 1.92 -0.00 -1.99 -0.06 115.11 115.71 2vml h GLN 22 Ca 0.23 -0.05 -0.09 0.00 -0.00 0.00 0.00 58.65 58.74 2vml h GLN 22 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.42 2vml h GLN 22 CO -0.04 0.34 0.01 0.93 0.00 0.00 0.00 178.83 180.07 2vml h GLU 23 N 0.34 1.00 -0.28 1.69 5.08 -1.79 -2.58 114.58 118.04 2vml h GLU 23 Ca 0.10 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 2vml h GLU 23 Cb 0.06 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2vml h GLU 23 CO -0.02 0.99 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.81 2vml h LEU 24 N 0.89 0.44 -0.68 1.33 3.38 -0.66 -2.53 115.31 117.49 2vml h LEU 24 Ca 0.16 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2vml h LEU 24 Cb 0.54 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2vml h LEU 24 CO 0.03 0.59 -0.27 0.78 0.09 0.00 0.00 178.44 179.66 2vml h ASN 25 N 0.43 0.76 -0.44 -0.43 2.35 -0.82 0.65 115.58 118.08 2vml h ASN 25 Ca 0.08 -0.29 -0.13 0.00 -0.55 0.00 0.00 56.30 55.42 2vml h ASN 25 Cb 0.45 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2vml h ASN 25 CO 0.03 0.99 -0.21 1.56 -1.65 0.00 0.00 177.43 178.14 2vml h GLN 26 N 0.64 0.95 -0.17 0.81 1.08 -1.32 -2.10 115.11 115.00 2vml h GLN 26 Ca 0.08 -0.39 -0.20 0.00 -1.45 0.00 0.00 58.65 56.69 2vml h GLN 26 Cb 0.78 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2vml h GLN 26 CO 0.06 1.06 -0.69 -0.07 -0.95 0.00 0.00 178.83 178.24 2vml h LEU 27 N 0.82 0.80 -0.75 1.46 3.38 -1.32 -2.44 115.31 117.25 2vml h LEU 27 Ca 0.11 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.65 2vml h LEU 27 Cb 0.77 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 2vml h LEU 27 CO 0.06 1.26 0.44 0.74 0.09 0.00 0.00 178.44 181.04 2vml h THR 28 N 0.49 0.99 -0.64 0.22 2.02 -0.83 -1.80 112.91 113.36 2vml h THR 28 Ca -0.03 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 2vml h THR 28 Cb 1.29 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2vml h THR 28 CO 0.14 0.15 0.30 -1.13 0.37 0.00 0.00 175.52 175.34 2vml h ASN 29 N 0.80 0.85 -0.66 4.18 -0.73 -1.28 -1.18 115.58 117.56 2vml h ASN 29 Ca 0.33 -0.14 -0.00 0.00 1.87 0.00 0.00 56.30 58.36 2vml h ASN 29 Cb 0.19 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.53 2vml h ASN 29 CO -0.18 0.76 0.41 0.25 -0.37 0.00 0.00 177.43 178.29 2vml h LEU 30 N 0.89 0.79 -0.65 0.34 6.46 -1.09 0.19 115.31 122.24 2vml h LEU 30 Ca 0.22 -0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.94 2vml h LEU 30 Cb 0.14 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 2vml h LEU 30 CO -0.03 0.61 0.42 0.58 -0.62 0.00 0.00 178.44 179.41 2vml h VAL 31 N 0.90 1.15 -0.90 1.05 2.07 -1.15 -1.53 116.25 117.83 2vml h VAL 31 Ca 0.24 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2vml h VAL 31 Cb -0.04 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 29.90 2vml h VAL 31 CO -0.05 0.16 0.56 0.50 0.02 0.00 0.00 177.57 178.76 2vml h LYS 32 N 0.86 1.21 -0.16 1.57 3.64 -0.45 -2.70 116.57 120.54 2vml h LYS 32 Ca 0.24 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2vml h LYS 32 Cb -0.08 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.48 2vml h LYS 32 CO -0.06 0.84 0.00 0.39 -2.27 0.00 0.00 179.45 178.35 2vml n GLU 33 N -4.41 1.66 0.22 1.90 -0.58 -0.02 -4.51 120.64 114.92 2vml n GLU 33 Ca 0.10 -1.00 0.09 0.00 -0.42 0.00 0.00 57.16 55.93 2vml n GLU 33 Cb 0.05 -1.38 0.51 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 1.99 0.00 -0.24 1.62 4.64 -0.94 -2.21 113.55 118.41 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 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2vml h SER 34 CO 0.00 0.25 -0.25 0.78 -0.87 0.00 0.00 176.83 176.74 2vml h ASN 35 N 0.00 0.64 -0.88 4.97 2.35 -1.81 -0.85 115.58 120.00 2vml h ASN 35 Ca -0.00 -0.48 0.04 0.00 -0.55 0.00 0.00 56.30 55.31 2vml h ASN 35 Cb 0.63 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.76 2vml h ASN 35 CO 0.03 0.99 0.57 0.11 -1.65 0.00 0.00 177.43 177.48 2vml h LYS 36 N 0.31 1.06 -0.94 0.81 1.57 -1.82 -1.39 116.57 116.17 2vml h LYS 36 Ca 0.04 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2vml h LYS 36 Cb 0.81 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 2vml h LYS 36 CO 0.06 0.70 0.62 -0.09 -0.57 0.00 0.00 179.45 180.17 2vml h ARG 37 N 1.09 1.22 -0.32 3.15 2.43 -1.19 -0.54 114.38 120.22 2vml h ARG 37 Ca 0.36 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.35 2vml h ARG 37 Cb 0.03 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 2vml h ARG 37 CO -0.12 0.80 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.83 2vml h LEU 38 N 1.25 0.64 -0.49 3.80 3.38 -0.69 -1.35 115.31 121.85 2vml h LEU 38 Ca 0.35 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2vml h LEU 38 Cb -0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2vml h LEU 38 CO -0.08 0.87 0.13 0.44 0.09 0.00 0.00 178.44 179.88 2vml h ASP 39 N 0.56 0.75 -0.31 -0.43 3.32 -0.98 -1.21 116.42 118.10 2vml h ASP 39 Ca 0.08 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2vml h ASP 39 Cb 0.71 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2vml h ASP 39 CO 0.05 0.78 0.17 0.00 -1.72 0.00 0.00 179.24 178.52 2vml h ALA 40 N 0.99 0.40 -0.66 3.45 0.00 -0.89 0.96 119.26 123.52 2vml h ALA 40 Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2vml h ALA 40 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2vml h ALA 40 CO 0.00 -0.07 0.16 0.28 0.00 0.00 0.00 179.25 179.62 2vml h VAL 41 N 0.38 1.25 -0.51 0.00 2.07 -1.27 -2.81 116.25 115.36 2vml h VAL 41 Ca 0.11 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 2vml h VAL 41 Cb 0.06 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2vml h VAL 41 CO -0.02 0.35 0.21 -1.13 0.02 0.00 0.00 177.57 177.01 2vml h ASN 42 N 0.99 0.67 -0.62 0.57 -1.24 -0.86 -2.16 115.58 112.92 2vml h ASN 42 Ca 0.21 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 2vml h ASN 42 Cb 0.35 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.20 2vml h ASN 42 CO 0.00 0.60 0.29 0.00 -1.29 0.00 0.00 177.43 177.03 2vml h ALA 43 N 1.50 1.30 -0.00 1.57 0.00 -0.55 -0.69 119.26 122.39 2vml h ALA 43 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2vml h ALA 43 Cb 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2vml h ALA 43 CO -0.02 0.54 -0.03 0.82 0.00 0.00 0.00 179.25 180.56 2vml h ILE 44 N 0.92 1.61 -0.58 0.00 2.04 -1.44 -3.13 117.51 116.93 2vml h ILE 44 Ca 0.22 -1.83 0.04 0.00 1.00 0.00 0.00 64.86 64.29 2vml h ILE 44 Cb 0.12 2.84 -0.04 0.00 -0.74 0.00 0.00 36.82 39.00 2vml h ILE 44 CO -0.03 0.48 0.34 0.74 0.00 0.00 0.00 178.15 179.68 2vml h THR 45 N -0.74 1.02 0.00 -0.27 2.02 -1.40 -0.51 112.91 113.04 2vml h THR 45 Ca -0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2vml h THR 45 Cb 0.80 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2vml h THR 45 CO 0.01 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.63 2vml n GLY 46 N -1.26 -1.39 0.57 2.16 0.00 -0.27 -3.30 105.19 101.70 2vml n GLY 46 Ca 0.06 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.26 1.35 -0.06 1.61 5.03 -1.03 -4.91 115.26 114.99 2vml n ASN 47 Ca 0.03 -2.81 -0.10 0.00 0.87 0.00 0.00 54.58 52.57 2vml n ASN 47 Cb 0.28 -0.37 -0.04 0.00 -1.02 0.00 0.00 39.78 38.63 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 0.42 0.27 -0.81 5.41 0.00 -1.09 -0.49 119.26 122.98 2vml h ALA 48 Ca -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2vml h ALA 48 Cb 1.27 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2vml h ALA 48 CO 0.02 -0.18 0.42 0.00 0.00 0.00 0.00 179.25 179.51 2vml h ALA 49 N 0.98 1.04 -0.30 0.00 0.00 -1.87 -1.91 119.26 117.20 2vml h ALA 49 Ca 0.07 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2vml h ALA 49 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2vml h ALA 49 CO -0.01 0.58 -0.09 0.93 0.00 0.00 0.00 179.25 180.66 2vml h GLU 50 N 1.14 0.59 -0.37 0.00 3.07 -1.87 -0.61 114.58 116.51 2vml h GLU 50 Ca 0.28 -0.23 0.05 0.00 -0.50 0.00 0.00 59.36 58.96 2vml h GLU 50 Cb 0.07 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 27.90 2vml h GLU 50 CO -0.04 0.79 0.10 0.82 -1.40 0.00 0.00 179.01 179.28 2vml h ILE 51 N 0.35 0.85 -0.33 3.13 2.04 -0.96 0.86 117.51 123.45 2vml h ILE 51 Ca 0.07 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 2vml h ILE 51 Cb 0.58 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2vml h ILE 51 CO 0.03 0.04 -0.02 0.40 0.00 0.00 0.00 178.15 178.61 2vml h ILE 52 N 0.24 1.26 -0.23 -0.67 2.04 -1.27 -2.36 117.51 116.53 2vml h ILE 52 Ca 0.17 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2vml h ILE 52 Cb 0.18 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2vml h ILE 52 CO -0.20 0.33 0.09 -1.28 0.00 0.00 0.00 178.15 177.09 2vml h SER 53 N 0.40 0.32 -0.31 1.72 0.87 -0.95 0.14 113.55 115.73 2vml h SER 53 Ca 0.09 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.53 2vml h SER 53 Cb 0.48 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 2vml h SER 53 CO 0.02 0.39 0.09 0.44 -0.53 0.00 0.00 176.83 177.24 2vml h ASP 54 N 0.22 0.07 -0.44 6.23 3.32 -0.86 -1.57 116.42 123.40 2vml h ASP 54 Ca 0.08 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2vml h ASP 54 Cb 0.18 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2vml h ASP 54 CO -0.01 0.08 0.25 0.00 -1.72 0.00 0.00 179.24 177.85 2vml h ALA 55 N 1.21 0.57 0.31 3.45 0.00 -1.29 -2.20 119.26 121.30 2vml h ALA 55 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2vml h ALA 55 Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2vml h ALA 55 CO -0.16 0.07 -0.15 0.00 0.00 0.00 0.00 179.25 179.01 2vml h ALA 56 N 1.11 -0.42 -0.90 0.00 0.00 -0.84 -1.15 119.26 117.07 2vml h ALA 56 Ca 0.16 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.09 2vml h ALA 56 Cb 0.03 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 2vml h ALA 56 CO -0.03 -0.71 0.52 0.45 0.00 0.00 0.00 179.25 179.48 2vml h HIS 57 N -0.47 0.93 -0.42 0.00 -0.00 -1.27 -1.91 115.15 112.02 2vml h HIS 57 Ca -0.04 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.24 2vml h HIS 57 Cb 0.35 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 2vml h HIS 57 CO -0.04 0.31 -0.22 0.87 -0.00 0.00 0.00 177.93 178.85 2vml h LYS 58 N 0.79 0.88 -0.50 2.45 1.57 -1.30 -2.48 116.57 117.98 2vml h LYS 58 Ca 0.46 -0.40 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2vml h LYS 58 Cb 0.54 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 2vml h LYS 58 CO -0.30 1.04 0.33 1.25 -0.57 0.00 0.00 179.45 181.20 2vml h LEU 59 N 0.71 0.56 0.00 2.94 5.85 -0.50 -1.64 115.31 123.22 2vml h LEU 59 Ca 0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2vml h LEU 59 Cb 0.79 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2vml h LEU 59 CO 0.06 0.40 -0.30 -0.26 -0.34 0.00 0.00 178.44 178.01 2vml h PHE 60 N 0.67 0.00 -0.06 1.25 0.04 -1.41 0.14 116.94 117.57 2vml h PHE 60 Ca 0.19 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.75 2vml h PHE 60 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 2vml h PHE 60 CO -0.04 0.00 -0.83 0.00 -0.60 0.00 0.00 178.31 176.84 2vml h ALA 61 N 2.38 0.43 -0.04 2.45 0.00 -1.26 -3.29 119.26 119.92 2vml h ALA 61 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 54.91 54.16 2vml h ALA 61 Cb 0.81 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.58 2vml h ALA 61 CO 0.00 0.76 -0.38 0.93 0.00 0.00 0.00 179.25 180.56 2vml h GLU 62 N 0.33 0.33 -2.68 0.00 5.08 -1.03 -3.40 114.58 113.21 2vml h GLU 62 Ca -0.06 -0.30 -0.62 0.00 -1.00 0.00 0.00 59.36 57.38 2vml h GLU 62 Cb 1.44 0.07 -0.41 0.00 0.50 0.00 0.00 28.75 30.35 2vml h GLU 62 CO 0.15 0.96 -0.53 1.04 -1.00 0.00 0.00 179.01 179.64 2vml n GLN 63 N -4.38 2.26 0.11 2.33 6.02 0.48 -4.91 117.38 119.29 2vml n GLN 63 Ca -0.09 -4.58 0.11 0.00 -0.01 0.00 0.00 57.00 52.42 2vml n GLN 63 Cb 0.55 -2.29 0.46 0.00 1.02 0.00 0.00 30.24 29.98 2vml n GLN 63 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2vml n THR 64 N 1.44 0.90 0.21 5.09 -2.24 -1.24 -2.40 114.28 116.04 2vml n THR 64 Ca 0.25 0.28 0.05 0.00 -2.27 0.00 0.00 64.05 62.36 2vml n THR 64 Cb 0.38 -1.19 0.46 0.00 -2.10 0.00 0.00 70.33 67.87 2vml n THR 64 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2vml h ASP 65 N 0.00 0.00 0.71 3.42 2.03 -1.91 -2.99 116.42 117.69 2vml h ASP 65 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 2vml h ASP 65 Cb 0.31 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.80 2vml h ASP 65 CO 0.00 0.25 -0.15 -0.07 -1.03 0.00 0.00 179.24 178.24 2vml h LEU 66 N 0.00 0.00 -3.19 0.15 3.38 -1.84 -2.83 115.31 110.98 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 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2vml h LEU 66 CO 0.03 0.15 0.00 2.30 0.09 0.00 0.00 178.44 181.01 2vml n ILE 67 N -3.41 1.99 -4.08 1.22 -5.35 -1.13 -0.84 119.36 107.76 2vml n ILE 67 Ca -0.01 -1.61 -0.24 0.00 -0.27 0.00 0.00 62.75 60.63 2vml n ILE 67 Cb 0.33 -0.06 -0.05 0.00 -1.74 0.00 0.00 39.64 38.13 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 -2.35 2.98 0.17 6.28 0.52 -1.07 -4.93 118.95 120.56 2vml s ARG 68 Ca 0.39 -0.93 -0.33 0.00 -0.52 0.00 0.00 55.73 54.34 2vml s ARG 68 Cb 0.29 -2.64 -0.15 0.00 0.52 0.00 0.00 34.95 32.97 2vml s ARG 68 CO 0.12 0.44 1.30 -2.30 0.02 0.00 0.00 175.30 174.88 2vml n PRO 69 N -0.82 1.48 0.00 3.54 -0.02 -1.26 -0.51 135.00 137.42 2vml n PRO 69 Ca -0.08 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2vml n PRO 69 Cb 0.56 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.29 3.30 3.89 -1.23 0.00 -1.26 -5.06 105.19 107.11 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 -2.47 1.58 0.00 -0.02 0.00 0.34 -4.99 107.32 101.76 2vml s GLY 71 Ca 0.00 -0.31 0.29 0.00 0.00 0.00 0.00 44.72 44.71 2vml s GLY 71 CO 0.00 -0.09 1.94 -2.01 0.00 0.00 0.00 173.10 172.94 2vml n ASN 72 N -2.47 0.50 -1.11 1.64 2.85 -1.23 -2.70 115.26 112.73 2vml n ASN 72 Ca 0.03 -0.79 0.01 0.00 -0.11 0.00 0.00 54.58 53.72 2vml n ASN 72 Cb 0.55 -0.06 0.23 0.00 1.24 0.00 0.00 39.78 41.74 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 -0.81 3.73 -2.63 5.20 0.00 -0.02 -4.61 120.51 121.37 2vml n ALA 73 Ca 0.17 -2.69 -0.20 0.00 0.00 0.00 0.00 53.44 50.72 2vml n ALA 73 Cb 0.25 -0.78 -0.15 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 -3.04 1.07 0.00 0.00 5.04 -1.10 -3.48 117.35 115.85 2vml s TYR 74 Ca 0.44 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 2vml s TYR 74 Cb 0.38 -0.68 0.00 0.00 0.35 0.00 0.00 41.96 42.01 2vml s TYR 74 CO 0.05 -0.01 0.00 -0.35 -1.34 0.00 0.00 175.55 173.90 2vml n PRO 75 N 2.61 2.77 -0.31 4.97 -0.04 -1.26 -4.60 135.00 139.14 2vml n PRO 75 Ca -0.15 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2vml n PRO 75 Cb 0.56 0.00 0.34 0.00 -0.04 0.00 0.00 33.50 34.36 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 0.74 -0.58 3.54 2.35 -2.00 -2.04 115.58 117.59 2vml h ASN 76 Ca 0.00 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2vml h ASN 76 Cb 0.00 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2vml h ASN 76 CO 0.00 0.34 0.22 -0.09 -1.65 0.00 0.00 177.43 176.26 2vml h ARG 77 N 0.76 0.92 -0.05 0.81 2.43 -1.94 -0.36 114.38 116.95 2vml h ARG 77 Ca 0.50 -0.16 -0.23 0.00 -0.81 0.00 0.00 59.98 59.28 2vml h ARG 77 Cb 0.75 -0.15 0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2vml h ARG 77 CO -0.26 0.77 -0.87 0.00 -1.51 0.00 0.00 179.97 178.09 2vml h ARG 78 N 0.90 0.68 -0.07 0.20 3.08 -1.66 -2.38 114.38 115.11 2vml h ARG 78 Ca 0.21 -0.66 0.01 0.00 0.07 0.00 0.00 59.98 59.61 2vml h ARG 78 Cb 0.21 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2vml h ARG 78 CO -0.01 1.26 -0.02 1.98 -1.07 0.00 0.00 179.97 182.11 2vml h MET 79 N 0.35 0.00 -0.59 0.04 4.05 -1.18 -0.03 114.93 117.56 2vml h MET 79 Ca -0.09 -0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.43 2vml h MET 79 Cb 1.52 -0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 32.24 2vml h MET 79 CO 0.17 0.00 0.16 0.00 0.23 0.00 0.00 176.91 177.48 2vml h ALA 80 N 1.07 0.73 -0.85 0.39 0.00 -1.15 -0.44 119.26 119.02 2vml h ALA 80 Ca 0.04 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2vml h ALA 80 Cb 0.05 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2vml h ALA 80 CO -0.08 -0.27 0.51 0.00 0.00 0.00 0.00 179.25 179.42 2vml h ALA 81 N 1.45 1.09 0.02 0.00 0.00 -1.09 -1.38 119.26 119.35 2vml h ALA 81 Ca 0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2vml h ALA 81 Cb 0.43 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2vml h ALA 81 CO -0.36 0.55 -0.01 0.00 0.00 0.00 0.00 179.25 179.43 2vml h LEU 83 N -0.10 0.90 -0.69 0.00 3.38 -0.98 -2.16 115.31 115.66 2vml h LEU 83 Ca -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2vml h LEU 83 Cb 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2vml h LEU 83 CO 0.00 0.77 0.41 -0.09 0.09 0.00 0.00 178.44 179.62 2vml h ARG 84 N 0.99 0.94 -0.64 1.13 2.43 -1.13 -2.22 114.38 115.88 2vml h ARG 84 Ca 0.24 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2vml h ARG 84 Cb 0.10 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2vml h ARG 84 CO -0.03 0.68 0.30 -0.44 -1.51 0.00 0.00 179.97 178.97 2vml h ASP 85 N 0.94 0.82 -0.61 -3.80 5.19 -0.79 -0.88 116.42 117.29 2vml h ASP 85 Ca 0.25 -0.09 -0.09 0.00 -0.62 0.00 0.00 57.03 56.48 2vml h ASP 85 Cb -0.01 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.27 2vml h ASP 85 CO -0.04 0.70 0.03 0.24 -3.12 0.00 0.00 179.24 177.05 2vml h MET 86 N 0.90 1.06 -0.24 3.56 2.86 -1.20 -1.65 114.93 120.22 2vml h MET 86 Ca 0.22 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2vml h MET 86 Cb 0.11 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2vml h MET 86 CO -0.03 1.02 0.07 1.49 1.06 0.00 0.00 176.91 180.52 2vml h GLU 87 N 0.97 0.37 0.18 1.72 4.22 -1.09 -1.84 114.58 119.10 2vml h GLU 87 Ca 0.18 -0.08 0.01 0.00 0.08 0.00 0.00 59.36 59.54 2vml h GLU 87 Cb 0.52 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2vml h GLU 87 CO 0.03 0.46 -0.21 0.82 -2.18 0.00 0.00 179.01 177.93 2vml h ILE 88 N 0.21 0.54 -0.65 2.32 2.04 -1.10 -1.01 117.51 119.86 2vml h ILE 88 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2vml h ILE 88 Cb 0.25 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2vml h ILE 88 CO -0.00 0.00 0.42 0.40 0.00 0.00 0.00 178.15 178.97 2vml h ILE 89 N -0.43 1.17 -0.32 -0.67 2.04 -1.30 -1.77 117.51 116.23 2vml h ILE 89 Ca 0.01 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 2vml h ILE 89 Cb 0.42 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2vml h ILE 89 CO -0.07 0.17 0.03 0.25 0.00 0.00 0.00 178.15 178.53 2vml h LEU 90 N 0.88 0.44 0.05 1.44 5.85 -1.19 -0.90 115.31 121.87 2vml h LEU 90 Ca 0.24 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2vml h LEU 90 Cb -0.08 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2vml h LEU 90 CO -0.05 0.49 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.42 2vml h ARG 91 N 0.47 -0.06 -0.24 1.25 2.43 -0.56 -2.22 114.38 115.45 2vml h ARG 91 Ca 0.11 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 2vml h ARG 91 Cb 0.26 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2vml h ARG 91 CO 0.00 0.27 -0.14 1.88 -1.51 0.00 0.00 179.97 180.47 2vml h TYR 92 N -0.39 0.43 -0.44 2.20 0.05 -1.20 -1.65 116.97 115.97 2vml h TYR 92 Ca -0.01 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2vml h TYR 92 Cb 0.36 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 2vml h TYR 92 CO 0.04 0.53 0.22 0.28 -1.05 0.00 0.00 178.16 178.18 2vml h VAL 93 N 0.37 1.17 -0.25 -2.88 2.07 -1.12 -2.20 116.25 113.41 2vml h VAL 93 Ca 0.07 -0.47 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 2vml h VAL 93 Cb 0.47 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2vml h VAL 93 CO 0.03 0.18 -0.30 0.77 0.02 0.00 0.00 177.57 178.27 2vml h SER 94 N 0.57 0.53 -0.39 0.57 4.64 -0.97 -1.04 113.55 117.45 2vml h SER 94 Ca 0.15 -0.20 0.03 0.00 -0.47 0.00 0.00 61.79 61.30 2vml h SER 94 Cb 0.09 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 2vml h SER 94 CO -0.02 0.81 0.19 1.88 -0.87 0.00 0.00 176.83 178.82 2vml h TYR 95 N 0.44 0.36 -0.73 4.77 0.05 -1.23 -2.12 116.97 118.52 2vml h TYR 95 Ca 0.06 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.86 2vml h TYR 95 Cb 0.75 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 38.35 2vml h TYR 95 CO 0.03 0.18 0.48 0.00 -1.05 0.00 0.00 178.16 177.80 2vml h ALA 96 N 1.21 1.49 -0.18 3.88 0.00 -1.06 -1.42 119.26 123.18 2vml h ALA 96 Ca 0.17 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2vml h ALA 96 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2vml h ALA 96 CO -0.12 0.47 -0.40 1.25 0.00 0.00 0.00 179.25 180.45 2vml h LEU 97 N 0.97 0.42 -0.18 0.00 5.85 -0.93 0.12 115.31 121.56 2vml h LEU 97 Ca 0.27 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 2vml h LEU 97 Cb -0.09 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 2vml h LEU 97 CO -0.06 0.78 -0.17 0.25 -0.34 0.00 0.00 178.44 178.90 2vml h LEU 98 N 0.33 0.47 -1.55 2.25 5.85 -1.08 -3.28 115.31 118.30 2vml h LEU 98 Ca 0.03 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 2vml h LEU 98 Cb 0.85 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2vml h LEU 98 CO 0.07 0.84 -0.18 0.00 -0.34 0.00 0.00 178.44 178.83 2vml h ALA 99 N 0.64 1.63 -0.66 1.25 0.00 -1.16 -3.47 119.26 117.49 2vml h ALA 99 Ca 0.03 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2vml h ALA 99 Cb 0.70 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2vml h ALA 99 CO 0.04 0.27 -0.16 0.41 0.00 0.00 0.00 179.25 179.82 2vml n GLY 100 N -0.94 0.56 3.49 0.00 0.00 0.35 -1.43 105.19 107.22 2vml n GLY 100 Ca -0.02 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.81 -0.64 0.00 1.61 2.15 -0.91 -4.22 116.67 111.86 2vml s ASP 101 Ca 0.00 1.20 0.29 0.00 0.43 0.00 0.00 52.55 54.47 2vml s ASP 101 Cb 0.00 1.19 1.37 0.00 -0.30 0.00 0.00 42.92 45.18 2vml s ASP 101 CO 0.00 -0.21 1.95 0.00 -0.17 0.00 0.00 175.17 176.74 2vml n ALA 102 N 2.99 2.68 -0.31 3.66 0.00 -1.26 -4.39 120.51 123.87 2vml n ALA 102 Ca -0.15 -0.24 0.01 0.00 0.00 0.00 0.00 53.44 53.06 2vml n ALA 102 Cb 0.56 -1.39 0.19 0.00 0.00 0.00 0.00 19.45 18.81 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 1.00 -0.76 0.00 4.64 -1.96 -1.19 113.55 115.71 2vml h SER 103 Ca 0.00 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 2vml h SER 103 Cb 0.30 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 2vml h SER 103 CO 0.00 0.69 0.31 1.62 -0.87 0.00 0.00 176.83 178.58 2vml h VAL 104 N 1.16 1.26 -0.39 0.95 3.04 -1.82 0.23 116.25 120.67 2vml h VAL 104 Ca 0.36 -0.80 -0.02 0.00 -1.01 0.00 0.00 66.70 65.23 2vml h VAL 104 Cb -0.01 0.36 -0.02 0.00 -2.01 0.00 0.00 31.29 29.61 2vml h VAL 104 CO -0.10 0.33 0.16 0.25 -1.01 0.00 0.00 177.57 177.19 2vml h LEU 105 N 1.10 0.54 -0.20 3.16 5.85 -1.55 -1.53 115.31 122.68 2vml h LEU 105 Ca 0.25 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2vml h LEU 105 Cb 0.21 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2vml h LEU 105 CO -0.02 0.55 -0.27 -0.08 -0.34 0.00 0.00 178.44 178.28 2vml h GLU 106 N 0.49 0.53 -0.13 1.25 4.57 -1.01 -0.99 114.58 119.28 2vml h GLU 106 Ca 0.13 -0.31 -0.12 0.00 -1.18 0.00 0.00 59.36 57.88 2vml h GLU 106 Cb 0.18 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2vml h GLU 106 CO -0.01 0.90 -0.38 -0.44 -1.18 0.00 0.00 179.01 177.90 2vml h ASP 107 N 0.20 0.57 -0.06 1.04 3.32 -0.56 -1.19 116.42 119.75 2vml h ASP 107 Ca 0.02 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.48 2vml h ASP 107 Cb 0.84 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2vml h ASP 107 CO 0.06 1.06 0.00 0.54 -1.72 0.00 0.00 179.24 179.19 2vml n ARG 108 N -4.32 1.97 0.13 3.56 1.74 -0.58 -4.64 116.66 114.53 2vml n ARG 108 Ca -0.07 -1.80 0.00 0.00 -0.77 0.00 0.00 57.85 55.21 2vml n ARG 108 Cb 0.53 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 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 -9.02 0.00 3.38 -1.21 -3.41 115.31 105.05 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 0.86 1.46 -3.20 0.09 0.00 0.00 178.44 177.65 2vml n ASN 111 N -3.40 3.35 0.00 -0.43 5.15 -0.45 -1.83 115.26 117.64 2vml n ASN 111 Ca 0.00 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 2vml n ASN 111 Cb 0.85 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 2vml n ASN 111 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vml n GLY 112 N 5.63 0.72 0.21 8.20 0.00 -1.26 -4.95 105.19 113.74 2vml n GLY 112 Ca 0.29 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.94 0.99 5.85 -1.60 -2.71 115.31 117.76 2vml h LEU 113 Ca 0.00 -0.62 0.06 0.00 0.84 0.00 0.00 57.88 58.16 2vml h LEU 113 Cb 0.00 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 2vml h LEU 113 CO 0.00 1.34 0.60 0.50 -0.34 0.00 0.00 178.44 180.54 2vml h LYS 114 N 0.43 1.06 -0.48 1.25 3.64 -1.78 -1.62 116.57 119.07 2vml h LYS 114 Ca -0.04 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2vml h LYS 114 Cb 1.31 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2vml h LYS 114 CO 0.14 0.70 0.17 0.93 -2.27 0.00 0.00 179.45 179.12 2vml h GLU 115 N 1.09 0.73 -0.47 1.90 3.07 -1.92 -0.42 114.58 118.57 2vml h GLU 115 Ca 0.41 -0.15 0.06 0.00 -0.50 0.00 0.00 59.36 59.18 2vml h GLU 115 Cb 0.16 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 27.91 2vml h GLU 115 CO -0.17 0.68 0.18 1.15 -1.40 0.00 0.00 179.01 179.45 2vml h THR 116 N 0.64 0.87 -0.56 1.13 2.02 -1.13 -0.94 112.91 114.94 2vml h THR 116 Ca 0.16 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 2vml h THR 116 Cb 0.24 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2vml h THR 116 CO -0.01 0.07 0.12 1.88 0.37 0.00 0.00 175.52 177.95 2vml h TYR 117 N 0.37 0.96 -0.51 3.16 0.05 -1.04 -2.03 116.97 117.92 2vml h TYR 117 Ca 0.22 -0.12 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 2vml h TYR 117 Cb 0.21 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 2vml h TYR 117 CO -0.15 0.84 0.21 0.28 -1.05 0.00 0.00 178.16 178.29 2vml h VAL 118 N 0.81 1.21 -0.85 -2.88 2.07 -0.85 -0.59 116.25 115.17 2vml h VAL 118 Ca 0.17 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.07 2vml h VAL 118 Cb 0.37 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2vml h VAL 118 CO 0.01 0.25 0.56 0.00 0.02 0.00 0.00 177.57 178.40 2vml h ALA 119 N 1.06 1.42 0.00 1.67 0.00 -1.11 -2.76 119.26 119.53 2vml h ALA 119 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2vml h ALA 119 Cb 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2vml h ALA 119 CO -0.02 0.53 0.00 -0.07 0.00 0.00 0.00 179.25 179.69 2vml h LEU 120 N 1.12 0.00 0.10 0.00 3.38 -0.93 -3.47 115.31 115.51 2vml h LEU 120 Ca 0.32 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 2vml h LEU 120 Cb -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2vml h LEU 120 CO -0.08 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.03 2vml n GLY 121 N 0.99 0.52 3.71 0.83 0.00 -0.34 -5.03 105.19 105.87 2vml n GLY 121 Ca 0.04 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.07 4.87 -0.41 2.61 2.01 -0.56 -4.96 115.64 117.14 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 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 2vml s THR 122 CO 0.00 0.15 1.66 -2.16 -0.69 0.00 0.00 174.62 173.57 2vml s PRO 123 N 1.12 3.32 0.45 4.92 0.04 -1.26 -4.46 135.00 139.13 2vml s PRO 123 Ca 0.51 1.11 0.18 0.00 0.04 0.00 0.00 61.00 62.84 2vml s PRO 123 Cb -0.21 -4.16 1.08 0.00 0.04 0.00 0.00 34.50 31.25 2vml s PRO 123 CO 0.26 -1.88 1.97 1.79 0.04 0.00 0.00 177.00 179.19 2vml h THR 124 N 6.68 0.97 -0.02 1.26 1.35 -1.92 -2.14 112.91 119.09 2vml h THR 124 Ca -0.30 -0.77 -0.14 0.00 -0.55 0.00 0.00 66.41 64.65 2vml h THR 124 Cb 1.14 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 2vml h THR 124 CO 1.08 0.21 -0.64 0.03 -0.25 0.00 0.00 175.52 175.95 2vml h ARG 125 N 0.00 0.10 -0.10 4.72 3.08 -1.89 -1.08 114.38 119.20 2vml h ARG 125 Ca -0.00 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.81 2vml h ARG 125 Cb 0.42 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2vml h ARG 125 CO 0.03 0.70 -0.65 0.77 -1.07 0.00 0.00 179.97 179.75 2vml h SER 126 N 0.07 0.48 -0.26 7.04 0.02 -1.80 -1.29 113.55 117.80 2vml h SER 126 Ca -0.01 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 2vml h SER 126 Cb 1.14 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 2vml h SER 126 CO 0.09 1.00 0.06 0.58 -1.14 0.00 0.00 176.83 177.42 2vml h VAL 127 N 0.30 1.21 -0.82 2.27 2.07 -1.24 -1.98 116.25 118.06 2vml h VAL 127 Ca -0.02 -0.70 0.09 0.00 0.82 0.00 0.00 66.70 66.89 2vml h VAL 127 Cb 1.21 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 2vml h VAL 127 CO 0.11 0.23 0.47 0.00 0.02 0.00 0.00 177.57 178.40 2vml h ALA 128 N 0.88 1.16 -0.82 1.67 0.00 -1.12 -1.56 119.26 119.48 2vml h ALA 128 Ca 0.08 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2vml h ALA 128 Cb 0.28 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2vml h ALA 128 CO 0.00 0.12 0.36 -0.09 0.00 0.00 0.00 179.25 179.64 2vml h ARG 129 N 0.81 1.20 -0.62 0.00 9.65 -1.13 -1.09 114.38 123.20 2vml h ARG 129 Ca 0.39 -0.20 0.04 0.00 -1.10 0.00 0.00 59.98 59.11 2vml h ARG 129 Cb 0.33 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 28.66 2vml h ARG 129 CO -0.24 0.95 0.37 0.00 2.80 0.00 0.00 179.97 183.85 2vml h ALA 130 N 1.19 0.82 -0.52 2.80 0.00 -0.61 -0.71 119.26 122.22 2vml h ALA 130 Ca 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2vml h ALA 130 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2vml h ALA 130 CO -0.03 0.09 0.27 0.28 0.00 0.00 0.00 179.25 179.86 2vml h VAL 131 N 0.71 1.19 -0.68 0.00 2.07 -0.96 -1.12 116.25 117.47 2vml h VAL 131 Ca 0.26 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 2vml h VAL 131 Cb 0.07 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2vml h VAL 131 CO -0.13 0.21 0.31 -0.61 0.02 0.00 0.00 177.57 177.37 2vml h GLN 132 N 0.70 0.97 -0.21 1.57 5.75 -0.85 -0.27 115.11 122.78 2vml h GLN 132 Ca 0.18 -0.14 -0.17 0.00 -0.15 0.00 0.00 58.65 58.38 2vml h GLN 132 Cb 0.09 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.45 2vml h GLN 132 CO -0.03 0.76 -0.55 -0.07 -2.65 0.00 0.00 178.83 176.30 2vml h LEU 133 N 0.96 0.70 -0.71 -2.39 3.38 -0.90 -2.51 115.31 113.85 2vml h LEU 133 Ca 0.23 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 2vml h LEU 133 Cb 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2vml h LEU 133 CO -0.03 1.11 0.14 0.24 0.09 0.00 0.00 178.44 179.99 2vml h MET 134 N 0.49 1.13 -0.48 1.13 2.86 -0.83 -2.47 114.93 116.76 2vml h MET 134 Ca 0.01 -0.29 0.07 0.00 -2.06 0.00 0.00 59.70 57.43 2vml h MET 134 Cb 1.11 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.57 2vml h MET 134 CO 0.11 1.01 0.15 -0.22 1.06 0.00 0.00 176.91 179.02 2vml h LYS 135 N 1.07 0.30 -0.30 1.72 3.64 -0.92 0.25 116.57 122.33 2vml h LYS 135 Ca 0.22 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2vml h LYS 135 Cb 0.41 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2vml h LYS 135 CO 0.01 0.20 0.06 0.93 -2.27 0.00 0.00 179.45 178.38 2vml h GLU 136 N 0.31 0.49 -0.35 1.90 5.08 -1.30 -0.37 114.58 120.35 2vml h GLU 136 Ca 0.23 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 2vml h GLU 136 Cb 0.26 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2vml h GLU 136 CO -0.26 0.58 -0.26 1.15 -1.00 0.00 0.00 179.01 179.22 2vml h THR 137 N 0.32 1.29 -0.37 1.13 2.02 -1.35 -1.96 112.91 113.98 2vml h THR 137 Ca 0.09 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.85 2vml h THR 137 Cb 0.32 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 2vml h THR 137 CO 0.00 0.47 0.23 0.00 0.37 0.00 0.00 175.52 176.59 2vml h ALA 138 N 0.76 0.48 -0.41 6.16 0.00 -0.39 -2.37 119.26 123.49 2vml h ALA 138 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2vml h ALA 138 Cb 0.83 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2vml h ALA 138 CO 0.07 -0.03 0.03 0.82 0.00 0.00 0.00 179.25 180.13 2vml h ILE 139 N 0.49 1.21 -0.56 0.00 2.04 -1.08 -1.78 117.51 117.83 2vml h ILE 139 Ca 0.13 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 65.24 2vml h ILE 139 Cb -0.00 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 2vml h ILE 139 CO -0.03 0.29 0.21 1.23 0.00 0.00 0.00 178.15 179.86 2vml h GLY 140 N 0.89 0.77 1.32 5.37 0.00 -1.12 -2.00 103.07 108.31 2vml h GLY 140 Ca 0.13 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 2vml h GLY 140 CO 0.01 0.01 -0.25 -0.97 0.00 0.00 0.00 176.54 175.34 2vml h TYR 141 N 0.40 0.89 -0.68 5.60 0.05 -0.89 -1.19 116.97 121.15 2vml h TYR 141 Ca 0.28 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2vml h TYR 141 Cb 0.31 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 2vml h TYR 141 CO -0.16 0.95 0.44 0.28 -1.05 0.00 0.00 178.16 178.62 2vml h VAL 142 N 0.67 1.18 0.00 -2.88 2.07 -1.21 -2.91 116.25 113.17 2vml h VAL 142 Ca 0.09 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2vml h VAL 142 Cb 0.77 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2vml h VAL 142 CO 0.06 0.18 -0.50 0.78 0.02 0.00 0.00 177.57 178.11 2vml h ASN 143 N 0.93 0.00 -2.12 0.57 2.35 -1.08 -3.41 115.58 112.81 2vml h ASN 143 Ca 0.25 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.45 2vml h ASN 143 Cb -0.09 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 37.87 2vml h ASN 143 CO -0.05 0.12 -0.92 -1.20 -1.65 0.00 0.00 177.43 173.73 2vml n SER 144 N -2.97 2.26 -4.93 5.81 7.64 -0.47 -5.09 113.62 115.86 2vml n SER 144 Ca 0.01 -3.22 -0.25 0.00 1.01 0.00 0.00 58.87 56.42 2vml n SER 144 Cb 0.59 -0.61 0.02 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.53 2.96 -0.54 1.43 0.04 -1.24 -4.85 135.00 130.27 2vml s PRO 145 Ca 0.42 -0.20 -0.26 0.00 0.04 0.00 0.00 61.00 61.00 2vml s PRO 145 Cb 0.27 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 32.46 2vml s PRO 145 CO -0.09 -0.55 1.05 0.45 0.04 0.00 0.00 177.00 177.90 2vml s SER 146 N -4.28 6.44 -0.63 6.66 0.15 -1.26 -4.50 113.70 116.29 2vml s SER 146 Ca 0.52 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2vml s SER 146 Cb -0.10 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2vml s SER 146 CO 0.42 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2vml n GLY 147 N 5.03 0.53 3.80 9.45 0.00 -1.26 -5.04 105.19 117.70 2vml n GLY 147 Ca 0.06 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.28 4.38 0.14 1.61 1.01 -1.26 -5.02 120.40 118.97 2vml s VAL 148 Ca 0.00 1.57 -0.33 0.00 0.00 0.00 0.00 61.98 63.22 2vml s VAL 148 Cb 0.00 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 2vml s VAL 148 CO 0.00 0.16 1.69 0.41 0.00 0.00 0.00 175.10 177.36 2vml n THR 149 N 0.61 0.12 -2.26 3.92 -1.04 -1.26 -4.91 114.28 109.46 2vml n THR 149 Ca 0.00 -0.02 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 2vml n THR 149 Cb 0.51 -1.77 -0.03 0.00 -1.82 0.00 0.00 70.33 67.21 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 1.59 4.42 -0.00 -2.82 0.52 -1.26 -4.98 118.95 116.43 2vml s ARG 150 Ca 0.80 2.01 -0.01 0.00 -0.52 0.00 0.00 55.73 58.01 2vml s ARG 150 Cb -0.61 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 31.67 2vml s ARG 150 CO 0.38 -0.18 0.03 0.41 0.02 0.00 0.00 175.30 175.96 2vml n GLY 151 N 2.12 0.65 3.54 -3.53 0.00 -1.26 -5.14 105.19 101.57 2vml n GLY 151 Ca 0.05 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.07 6.02 -0.13 1.61 2.15 -1.26 -4.93 116.67 119.07 2vml s ASP 152 Ca 0.01 -0.32 0.16 0.00 0.43 0.00 0.00 52.55 52.83 2vml s ASP 152 Cb -0.00 -2.13 0.38 0.00 -0.30 0.00 0.00 42.92 40.87 2vml s ASP 152 CO -0.00 -0.18 1.27 0.00 -0.17 0.00 0.00 175.17 176.08 2vml h SER 154 N 0.99 0.87 -0.37 0.00 4.64 -1.99 0.15 113.55 117.84 2vml h SER 154 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2vml h SER 154 Cb 1.14 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 2vml h SER 154 CO 0.10 0.54 0.21 0.00 -0.87 0.00 0.00 176.83 176.81 2vml h ALA 155 N 1.43 0.48 -0.53 5.18 0.00 -1.99 0.55 119.26 124.38 2vml h ALA 155 Ca 0.40 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 2vml h ALA 155 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2vml h ALA 155 CO -0.19 -0.00 -0.13 -0.07 0.00 0.00 0.00 179.25 178.85 2vml h LEU 156 N 0.48 1.04 -0.39 0.00 3.38 -1.72 -0.97 115.31 117.13 2vml h LEU 156 Ca 0.13 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2vml h LEU 156 Cb 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2vml h LEU 156 CO -0.02 1.16 0.23 0.58 0.09 0.00 0.00 178.44 180.47 2vml h VAL 157 N 0.91 1.04 -0.99 1.22 2.07 -0.89 -0.16 116.25 119.45 2vml h VAL 157 Ca 0.14 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.53 2vml h VAL 157 Cb 0.71 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2vml h VAL 157 CO 0.05 0.08 0.65 0.78 0.02 0.00 0.00 177.57 179.16 2vml h ASN 158 N 0.46 1.09 -0.31 0.57 2.35 -0.63 -1.46 115.58 117.66 2vml h ASN 158 Ca 0.15 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2vml h ASN 158 Cb 0.01 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 2vml h ASN 158 CO -0.07 0.76 -0.08 -0.08 -1.65 0.00 0.00 177.43 176.31 2vml h GLU 159 N 1.27 0.59 -0.52 0.81 4.81 -0.91 -2.37 114.58 118.26 2vml h GLU 159 Ca 0.39 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2vml h GLU 159 Cb -0.03 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2vml h GLU 159 CO -0.11 0.79 0.28 0.00 -0.73 0.00 0.00 179.01 179.23 2vml h ALA 160 N 0.79 0.67 -0.77 2.92 0.00 -0.88 -2.43 119.26 119.56 2vml h ALA 160 Ca 0.08 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2vml h ALA 160 Cb 0.57 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2vml h ALA 160 CO 0.03 -0.05 0.42 0.00 0.00 0.00 0.00 179.25 179.64 2vml h ALA 161 N 1.27 1.08 -0.80 0.00 0.00 -1.21 -2.23 119.26 117.37 2vml h ALA 161 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2vml h ALA 161 Cb 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2vml h ALA 161 CO -0.14 0.03 0.51 1.79 0.00 0.00 0.00 179.25 181.43 2vml h THR 162 N 0.70 1.22 -0.42 0.00 1.35 -0.94 0.22 112.91 115.04 2vml h THR 162 Ca 0.38 -0.44 -0.12 0.00 -0.55 0.00 0.00 66.41 65.67 2vml h THR 162 Cb 0.37 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.84 2vml h THR 162 CO -0.26 0.22 -0.22 1.88 -0.25 0.00 0.00 175.52 176.90 2vml h TYR 163 N 1.10 1.03 -0.20 4.73 0.05 -1.17 0.13 116.97 122.64 2vml h TYR 163 Ca 0.29 -0.26 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 2vml h TYR 163 Cb -0.08 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 2vml h TYR 163 CO 0.00 1.05 0.04 0.74 -1.05 0.00 0.00 178.16 178.94 2vml h PHE 164 N 0.71 0.35 -0.43 4.88 0.04 -1.09 -2.39 116.94 119.01 2vml h PHE 164 Ca 0.09 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 2vml h PHE 164 Cb 0.78 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 2vml h PHE 164 CO 0.06 0.47 0.03 -0.44 -0.60 0.00 0.00 178.31 177.83 2vml h ASP 165 N 0.12 0.64 -0.79 2.17 3.32 -0.45 -1.21 116.42 120.22 2vml h ASP 165 Ca 0.06 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2vml h ASP 165 Cb 0.31 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 2vml h ASP 165 CO 0.00 0.69 0.38 0.50 -1.72 0.00 0.00 179.24 179.09 2vml h LYS 166 N 0.65 1.14 -0.16 3.56 3.64 -0.71 -1.12 116.57 123.56 2vml h LYS 166 Ca 0.14 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2vml h LYS 166 Cb 0.35 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2vml h LYS 166 CO 0.01 0.88 0.07 0.00 -2.27 0.00 0.00 179.45 178.14 2vml h ALA 167 N 1.20 0.20 -0.38 5.00 0.00 -0.86 -1.65 119.26 122.77 2vml h ALA 167 Ca 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2vml h ALA 167 Cb 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2vml h ALA 167 CO -0.03 -0.23 0.18 0.00 0.00 0.00 0.00 179.25 179.17 2vml h ALA 168 N 0.94 0.50 -0.25 0.00 0.00 -1.20 -1.77 119.26 117.48 2vml h ALA 168 Ca 0.05 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2vml h ALA 168 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2vml h ALA 168 CO -0.01 0.06 -0.30 0.00 0.00 0.00 0.00 179.25 179.00 2vml h ALA 169 N 1.03 1.02 -0.06 0.00 0.00 -1.23 0.88 119.26 120.90 2vml h ALA 169 Ca 0.13 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2vml h ALA 169 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2vml h ALA 169 CO -0.02 0.59 -0.47 1.03 0.00 0.00 0.00 179.25 180.39 2vml h SER 170 N 0.44 0.14 0.03 0.00 0.87 -1.09 -3.32 113.55 110.62 2vml h SER 170 Ca 0.06 -0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.35 2vml h SER 170 Cb 0.75 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 2vml h SER 170 CO 0.06 0.59 -1.05 0.40 -0.53 0.00 0.00 176.83 176.30 2vml h ILE 171 N 0.11 1.12 0.00 2.23 2.04 -1.11 -3.40 117.51 118.51 2vml h ILE 171 Ca 0.01 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.60 2vml h ILE 171 Cb 0.87 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 2vml h ILE 171 CO 0.07 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.70