#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hml s ASN 4 N 0.00 6.17 0.00 4.38 3.84 -1.26 -4.96 114.94 123.11 2hml s ASN 4 Ca 0.00 -0.78 0.22 0.00 0.21 0.00 0.00 52.86 52.51 2hml s ASN 4 Cb 0.00 -2.21 0.98 0.00 -0.55 0.00 0.00 41.25 39.48 2hml s ASN 4 CO 0.00 -0.57 1.70 2.30 -2.79 0.00 0.00 177.10 177.75 2hml n ILE 5 N 5.36 0.45 0.06 -5.21 -5.35 -1.26 -0.66 119.36 112.76 2hml n ILE 5 Ca -0.08 0.11 -0.10 0.00 -0.27 0.00 0.00 62.75 62.40 2hml n ILE 5 Cb 0.47 -0.74 0.00 0.00 -1.74 0.00 0.00 39.64 37.63 2hml n ILE 5 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2hml h GLN 6 N 0.00 0.35 0.02 6.28 7.50 -1.93 -3.36 115.11 123.97 2hml h GLN 6 Ca 0.00 -0.33 -0.16 0.00 0.50 0.00 0.00 58.65 58.66 2hml h GLN 6 Cb 0.32 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.92 2hml h GLN 6 CO 0.00 0.99 -0.86 0.93 -1.50 0.00 0.00 178.83 178.39 2hml h GLU 7 N 0.22 0.04 -5.57 1.46 5.08 -1.78 -3.40 114.58 110.63 2hml h GLU 7 Ca -0.05 -0.07 -0.66 0.00 -1.00 0.00 0.00 59.36 57.58 2hml h GLU 7 Cb 1.41 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.56 2hml h GLU 7 CO 0.14 1.03 1.41 -0.51 -1.00 0.00 0.00 179.01 180.08 2hml s ASP 8 N -6.67 6.68 0.57 1.42 1.01 0.17 -4.84 116.67 115.00 2hml s ASP 8 Ca -0.24 -2.01 0.35 0.00 0.71 0.00 0.00 52.55 51.36 2hml s ASP 8 Cb 0.03 -2.50 1.65 0.00 1.01 0.00 0.00 42.92 43.11 2hml s ASP 8 CO 0.65 -1.22 2.10 0.11 0.21 0.00 0.00 175.17 177.03 2hml h LYS 9 N 8.76 0.00 -0.01 8.23 1.79 -1.80 -2.63 116.57 130.92 2hml h LYS 9 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 2hml h LYS 9 Cb 0.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 2hml h LYS 9 CO 1.32 0.04 -0.40 1.28 -1.08 0.00 0.00 179.45 180.61 2hml n LEU 10 N -3.22 0.97 -4.73 2.94 4.77 -1.26 -4.91 117.00 111.55 2hml n LEU 10 Ca -0.01 -0.25 -0.38 0.00 -0.03 0.00 0.00 56.01 55.35 2hml n LEU 10 Cb 0.23 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2hml n LEU 10 CO 0.26 0.19 0.14 -0.69 -1.33 0.00 0.00 177.39 175.97 2hml s VAL 11 N -2.68 5.19 0.52 4.08 1.01 -0.99 -5.07 120.40 122.46 2hml s VAL 11 Ca 0.19 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 62.89 2hml s VAL 11 Cb 0.18 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 2hml s VAL 11 CO 0.60 0.36 0.99 -0.94 0.00 0.00 0.00 175.10 176.11 2hml s SER 12 N 0.45 6.54 0.22 3.32 1.04 -1.26 -4.88 113.70 119.13 2hml s SER 12 Ca 0.24 1.61 -0.08 0.00 0.48 0.00 0.00 55.95 58.21 2hml s SER 12 Cb -0.15 -2.51 0.24 0.00 0.10 0.00 0.00 66.02 63.70 2hml s SER 12 CO 0.10 -0.64 1.85 0.00 0.98 0.00 0.00 173.24 175.53 2hml h ALA 13 N 0.94 1.03 -0.06 5.32 0.00 -1.98 -1.02 119.26 123.48 2hml h ALA 13 Ca -0.47 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.43 2hml h ALA 13 Cb 1.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2hml h ALA 13 CO 0.61 0.26 -0.01 1.25 0.00 0.00 0.00 179.25 181.36 2hml h HIS 14 N 0.92 -0.03 -0.87 0.00 -0.00 -2.00 -1.50 115.15 111.68 2hml h HIS 14 Ca 0.32 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.67 2hml h HIS 14 Cb 0.06 0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.45 2hml h HIS 14 CO -0.04 -0.02 0.47 -0.44 -0.00 0.00 0.00 177.93 177.90 2hml h ASP 15 N 0.00 1.10 -0.89 3.26 3.32 -1.86 -2.36 116.42 118.99 2hml h ASP 15 Ca 0.03 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2hml h ASP 15 Cb 0.04 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 2hml h ASP 15 CO -0.06 0.89 0.53 0.00 -1.72 0.00 0.00 179.24 178.88 2hml h ALA 16 N 1.25 1.26 -0.78 3.45 0.00 -0.99 -2.40 119.26 121.05 2hml h ALA 16 Ca 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2hml h ALA 16 Cb 0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 2hml h ALA 16 CO -0.05 0.63 0.33 0.93 0.00 0.00 0.00 179.25 181.10 2hml h GLU 17 N 1.23 1.15 -0.08 0.00 5.08 -0.81 -3.00 114.58 118.15 2hml h GLU 17 Ca 0.32 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 2hml h GLU 17 Cb -0.05 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2hml h GLU 17 CO -0.06 0.92 -0.64 0.93 -1.00 0.00 0.00 179.01 179.16 2hml h GLU 18 N 1.13 0.29 0.14 2.33 4.39 -1.15 -3.11 114.58 118.60 2hml h GLU 18 Ca 0.26 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2hml h GLU 18 Cb 0.18 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2hml h GLU 18 CO -0.03 0.83 -0.11 0.82 -1.16 0.00 0.00 179.01 179.37 2hml h ILE 19 N 0.21 0.76 -0.99 3.13 1.08 -1.35 -3.02 117.51 117.34 2hml h ILE 19 Ca -0.01 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.63 2hml h ILE 19 Cb 1.17 0.76 -0.09 0.00 -3.07 0.00 0.00 36.82 35.58 2hml h ILE 19 CO 0.10 0.00 0.62 0.25 -0.69 0.00 0.00 178.15 178.43 2hml h LEU 20 N -0.26 0.78 -1.09 1.44 5.85 -1.49 -1.32 115.31 119.22 2hml h LEU 20 Ca -0.01 0.07 0.18 0.00 0.84 0.00 0.00 57.88 58.97 2hml h LEU 20 Cb 0.23 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.09 2hml h LEU 20 CO -0.01 0.33 0.61 -0.09 -0.34 0.00 0.00 178.44 178.95 2hml h ARG 21 N 0.79 0.72 0.00 1.25 2.43 -1.46 -2.72 114.38 115.39 2hml h ARG 21 Ca 0.53 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.50 2hml h ARG 21 Cb 0.79 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2hml h ARG 21 CO -0.31 0.48 -2.08 1.19 -1.51 0.00 0.00 179.97 177.74 2hml n PHE 22 N -4.70 0.00 0.06 2.20 3.72 -0.56 -4.28 117.46 113.89 2hml n PHE 22 Ca 0.22 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.53 2hml n PHE 22 Cb 0.56 -0.67 0.03 0.00 -0.94 0.00 0.00 39.48 38.46 2hml n PHE 22 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 2hml h PHE 23 N 0.00 0.51 0.00 1.38 -1.00 -1.36 -3.38 116.94 113.09 2hml h PHE 23 Ca -0.24 -0.23 0.00 0.00 2.81 0.00 0.00 57.97 60.31 2hml h PHE 23 Cb 1.50 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.99 2hml h PHE 23 CO 0.00 0.98 0.00 0.09 -1.61 0.00 0.00 178.31 177.77 2hml n ASN 24 N -3.83 0.00 -4.39 2.17 3.02 -1.03 -4.73 115.26 106.46 2hml n ASN 24 Ca -0.04 0.70 -0.32 0.00 -0.03 0.00 0.00 54.58 54.88 2hml n ASN 24 Cb 0.70 -0.20 -0.14 0.00 -0.61 0.00 0.00 39.78 39.53 2hml n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hml s HIS 26 N -0.48 2.84 -0.41 0.00 2.46 -1.26 -4.85 115.29 113.59 2hml s HIS 26 Ca 0.06 -1.19 0.04 0.00 0.47 0.00 0.00 55.06 54.44 2hml s HIS 26 Cb -0.12 -1.97 0.11 0.00 -0.13 0.00 0.00 32.58 30.48 2hml s HIS 26 CO 0.01 -0.60 0.13 0.34 -2.47 0.00 0.00 174.74 172.16 2hml s ASP 27 N 1.17 4.57 0.35 9.88 -1.08 -1.26 -4.99 116.67 125.31 2hml s ASP 27 Ca 0.01 -2.50 0.07 0.00 -0.52 0.00 0.00 52.55 49.62 2hml s ASP 27 Cb -0.14 -1.62 0.75 0.00 -1.46 0.00 0.00 42.92 40.45 2hml s ASP 27 CO -0.05 -0.32 1.90 0.28 0.52 0.00 0.00 175.17 177.50 2hml h SER 28 N 7.17 0.69 0.04 -0.34 0.02 -1.97 -1.09 113.55 118.08 2hml h SER 28 Ca -0.06 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.79 2hml h SER 28 Cb 0.97 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 2hml h SER 28 CO 0.59 0.40 -0.41 0.00 -1.14 0.00 0.00 176.83 176.26 2hml h ALA 29 N 1.59 0.92 -0.28 3.77 0.00 -1.99 -2.15 119.26 121.12 2hml h ALA 29 Ca 0.40 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2hml h ALA 29 Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2hml h ALA 29 CO -0.16 0.63 -0.28 1.25 0.00 0.00 0.00 179.25 180.69 2hml h LEU 30 N 0.38 0.57 -0.62 0.00 5.85 -1.61 0.03 115.31 119.91 2hml h LEU 30 Ca 0.03 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.42 2hml h LEU 30 Cb 0.88 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2hml h LEU 30 CO 0.07 0.83 -0.30 1.56 -0.34 0.00 0.00 178.44 180.27 2hml h GLN 31 N 0.49 0.77 -0.45 1.25 1.08 -1.16 -0.17 115.11 116.91 2hml h GLN 31 Ca 0.06 -0.35 -0.12 0.00 -1.45 0.00 0.00 58.65 56.80 2hml h GLN 31 Cb 0.73 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 2hml h GLN 31 CO 0.06 0.97 -0.18 1.96 -0.95 0.00 0.00 178.83 180.68 2hml h GLN 32 N 0.66 0.93 -0.42 1.46 7.50 -1.11 -0.68 115.11 123.45 2hml h GLN 32 Ca 0.08 -0.39 0.01 0.00 0.50 0.00 0.00 58.65 58.85 2hml h GLN 32 Cb 0.82 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.30 2hml h GLN 32 CO 0.07 1.05 0.26 1.49 -1.50 0.00 0.00 178.83 180.20 2hml h GLU 33 N 0.77 0.52 -0.75 1.46 4.81 -0.67 -2.02 114.58 118.69 2hml h GLU 33 Ca 0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2hml h GLU 33 Cb 0.75 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 2hml h GLU 33 CO 0.06 0.34 0.41 0.00 -0.73 0.00 0.00 179.01 179.10 2hml h ALA 34 N 1.17 0.96 -0.39 2.92 0.00 -0.93 -1.19 119.26 121.81 2hml h ALA 34 Ca 0.16 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2hml h ALA 34 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2hml h ALA 34 CO -0.06 0.48 0.25 1.15 0.00 0.00 0.00 179.25 181.07 2hml h THR 35 N 1.04 1.09 -0.26 0.00 2.02 -0.81 -0.77 112.91 115.21 2hml h THR 35 Ca 0.27 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.27 2hml h THR 35 Cb 0.03 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2hml h THR 35 CO -0.04 0.09 0.17 0.74 0.37 0.00 0.00 175.52 176.85 2hml h THR 36 N 0.52 1.09 -0.52 3.16 2.02 -1.15 0.04 112.91 118.06 2hml h THR 36 Ca 0.14 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2hml h THR 36 Cb -0.05 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 2hml h THR 36 CO -0.04 0.08 0.32 -0.07 0.37 0.00 0.00 175.52 176.18 2hml h LEU 37 N 0.34 0.51 -0.39 2.58 4.07 -0.91 -0.58 115.31 120.95 2hml h LEU 37 Ca 0.10 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.87 2hml h LEU 37 Cb -0.01 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 2hml h LEU 37 CO -0.02 0.36 -0.79 -0.07 -1.08 0.00 0.00 178.44 176.85 2hml h LEU 38 N 0.63 0.31 -0.32 1.67 3.38 -0.98 -1.75 115.31 118.25 2hml h LEU 38 Ca 0.21 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2hml h LEU 38 Cb 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2hml h LEU 38 CO -0.09 0.98 -0.11 0.74 0.09 0.00 0.00 178.44 180.05 2hml h THR 39 N 0.16 1.29 -0.58 0.22 2.02 -0.77 -1.32 112.91 113.93 2hml h THR 39 Ca -0.03 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 65.91 2hml h THR 39 Cb 1.38 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 2hml h THR 39 CO 0.12 0.39 0.19 1.56 0.37 0.00 0.00 175.52 178.15 2hml h GLN 40 N 0.41 0.90 -0.27 6.66 4.20 -1.10 -1.04 115.11 124.87 2hml h GLN 40 Ca 0.08 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.62 2hml h GLN 40 Cb 0.63 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2hml h GLN 40 CO 0.04 0.80 0.13 1.49 -0.67 0.00 0.00 178.83 180.62 2hml h GLU 41 N 0.82 0.27 -0.35 1.46 4.81 -1.26 -1.57 114.58 118.76 2hml h GLU 41 Ca 0.19 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2hml h GLU 41 Cb 0.27 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2hml h GLU 41 CO -0.01 0.18 0.05 0.00 -0.73 0.00 0.00 179.01 178.50 2hml h ALA 42 N 1.14 1.44 -0.16 2.92 0.00 -1.06 -1.67 119.26 121.86 2hml h ALA 42 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2hml h ALA 42 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2hml h ALA 42 CO -0.08 0.41 -0.01 1.25 0.00 0.00 0.00 179.25 180.82 2hml h HIS 43 N 0.51 0.32 -0.72 0.00 -0.00 -0.80 -0.04 115.15 114.42 2hml h HIS 43 Ca 0.12 -0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.46 2hml h HIS 43 Cb 0.25 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 27.54 2hml h HIS 43 CO 0.01 0.52 0.45 -0.07 -0.00 0.00 0.00 177.93 178.84 2hml h LEU 44 N 0.02 0.73 -0.39 0.26 3.38 -1.03 -2.06 115.31 116.22 2hml h LEU 44 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2hml h LEU 44 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2hml h LEU 44 CO 0.01 0.50 -0.24 -0.07 0.09 0.00 0.00 178.44 178.73 2hml h LEU 45 N 0.87 0.89 -1.33 1.67 3.38 -1.21 -0.82 115.31 118.76 2hml h LEU 45 Ca 0.29 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2hml h LEU 45 Cb 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2hml h LEU 45 CO -0.12 1.12 0.29 0.44 0.09 0.00 0.00 178.44 180.26 2hml h ASP 46 N 0.66 0.67 -0.10 -0.43 3.32 -0.60 -0.57 116.42 119.37 2hml h ASP 46 Ca 0.08 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2hml h ASP 46 Cb 0.81 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2hml h ASP 46 CO 0.07 0.55 0.00 2.30 -1.72 0.00 0.00 179.24 180.43 2hml n ILE 47 N -4.39 0.12 -2.41 0.35 -5.35 -0.81 -4.20 119.36 102.66 2hml n ILE 47 Ca 0.05 -0.25 -0.16 0.00 -0.27 0.00 0.00 62.75 62.12 2hml n ILE 47 Cb 0.10 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 2hml n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2hml n GLN 48 N 0.03 -1.77 -1.67 6.28 6.02 -0.22 -4.92 117.38 121.12 2hml n GLN 48 Ca 0.17 0.74 -0.41 0.00 -0.01 0.00 0.00 57.00 57.49 2hml n GLN 48 Cb 0.28 -5.11 -0.01 0.00 1.02 0.00 0.00 30.24 26.42 2hml n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hml n ALA 49 N -2.05 6.45 -0.00 -1.58 0.00 -0.34 -4.75 120.51 118.24 2hml n ALA 49 Ca -0.16 -3.82 -0.03 0.00 0.00 0.00 0.00 53.44 49.42 2hml n ALA 49 Cb 0.63 -3.33 0.21 0.00 0.00 0.00 0.00 19.45 16.97 2hml n ALA 49 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2hml h TYR 50 N 5.43 0.58 -0.22 0.00 0.05 -1.92 0.01 116.97 120.91 2hml h TYR 50 Ca 0.68 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 59.32 2hml h TYR 50 Cb 0.46 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 2hml h TYR 50 CO 1.61 0.68 0.01 0.00 -1.05 0.00 0.00 178.16 179.41 2hml h ARG 51 N 0.48 0.38 -0.85 4.88 3.08 -1.94 -1.46 114.38 118.95 2hml h ARG 51 Ca 0.08 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.07 2hml h ARG 51 Cb 0.58 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 2hml h ARG 51 CO 0.04 0.56 0.53 0.00 -1.07 0.00 0.00 179.97 180.03 2hml h ALA 52 N 0.81 1.15 0.24 0.04 0.00 -1.90 -0.33 119.26 119.28 2hml h ALA 52 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hml h ALA 52 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2hml h ALA 52 CO 0.01 0.29 -0.27 2.35 0.00 0.00 0.00 179.25 181.63 2hml h TRP 53 N 0.98 -0.71 -0.82 0.00 7.01 -0.84 0.11 115.95 121.68 2hml h TRP 53 Ca 0.36 0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.49 2hml h TRP 53 Cb 0.13 0.28 -0.09 0.00 -2.10 0.00 0.00 29.16 27.39 2hml h TRP 53 CO -0.03 -0.38 0.43 -0.07 -2.79 0.00 0.00 178.44 175.59 2hml h LEU 54 N -0.55 0.54 -0.18 0.65 3.38 -0.83 0.14 115.31 118.46 2hml h LEU 54 Ca -0.00 0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 2hml h LEU 54 Cb 0.52 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2hml h LEU 54 CO -0.07 0.26 -0.84 -0.33 0.09 0.00 0.00 178.44 177.56 2hml h GLU 55 N 0.66 0.66 0.00 1.13 5.08 -0.74 -3.19 114.58 118.17 2hml h GLU 55 Ca 0.43 -0.58 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 2hml h GLU 55 Cb 0.54 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2hml h GLU 55 CO -0.32 1.19 -1.95 1.58 -1.00 0.00 0.00 179.01 178.51 2hml n HIS 56 N -3.88 0.00 0.01 4.33 -0.00 0.34 -4.70 115.22 111.32 2hml n HIS 56 Ca -0.07 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.12 2hml n HIS 56 Cb 0.77 -0.54 -0.02 0.00 -0.12 0.00 0.00 29.99 30.09 2hml n HIS 56 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2hml s VAL 58 N -2.03 2.56 0.48 0.00 1.01 -1.16 0.09 120.40 121.36 2hml s VAL 58 Ca -0.01 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 2hml s VAL 58 Cb 0.02 -2.10 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 2hml s VAL 58 CO 0.10 0.50 1.03 -0.83 0.00 0.00 0.00 175.10 175.90 2hml s GLY 59 N 1.19 2.51 0.52 4.51 0.00 0.20 -4.76 107.32 111.49 2hml s GLY 59 Ca 0.02 0.60 0.18 0.00 0.00 0.00 0.00 44.72 45.52 2hml s GLY 59 CO -0.07 0.92 2.14 1.48 0.00 0.00 0.00 173.10 177.57 2hml h SER 60 N 1.59 0.00 -0.37 1.64 4.64 -1.95 -1.51 113.55 117.58 2hml h SER 60 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2hml h SER 60 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2hml h SER 60 CO 0.59 0.04 0.00 -1.84 -0.87 0.00 0.00 176.83 174.75 2hml n GLU 61 N -4.35 2.80 -1.74 4.77 0.00 -1.26 -4.37 120.64 116.49 2hml n GLU 61 Ca -0.03 -1.74 -0.40 0.00 0.00 0.00 0.00 57.16 54.99 2hml n GLU 61 Cb 0.12 -1.72 0.02 0.00 0.00 0.00 0.00 31.44 29.87 2hml n GLU 61 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2hml n VAL 62 N 0.52 2.95 -4.08 3.84 3.14 -0.57 -4.89 118.33 119.24 2hml n VAL 62 Ca 0.16 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.71 2hml n VAL 62 Cb 0.64 -1.71 -0.15 0.00 -1.06 0.00 0.00 33.84 31.55 2hml n VAL 62 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2hml s GLN 63 N -2.47 2.73 -0.37 1.45 0.74 -0.63 -4.07 119.66 117.04 2hml s GLN 63 Ca 0.63 -1.02 -0.03 0.00 0.05 0.00 0.00 55.36 54.99 2hml s GLN 63 Cb -0.46 -2.73 0.08 0.00 1.10 0.00 0.00 33.01 31.00 2hml s GLN 63 CO 0.56 -0.35 0.14 -0.47 -0.55 0.00 0.00 175.29 174.61 2hml s TYR 64 N 1.23 3.43 -0.05 1.67 6.14 -0.04 -1.14 117.35 128.60 2hml s TYR 64 Ca -0.00 -2.07 0.02 0.00 0.64 0.00 0.00 57.07 55.66 2hml s TYR 64 Cb -0.16 -2.77 0.02 0.00 0.42 0.00 0.00 41.96 39.47 2hml s TYR 64 CO -0.09 -0.88 -0.09 -1.14 0.64 0.00 0.00 175.55 173.98 2hml s GLN 65 N 1.23 1.30 -0.11 4.97 0.74 -0.39 -0.57 119.66 126.82 2hml s GLN 65 Ca 0.03 -0.29 -0.01 0.00 0.05 0.00 0.00 55.36 55.14 2hml s GLN 65 Cb -0.22 -1.14 0.03 0.00 1.10 0.00 0.00 33.01 32.79 2hml s GLN 65 CO -0.02 0.00 -0.06 0.08 -0.55 0.00 0.00 175.29 174.75 2hml s VAL 66 N 0.69 0.90 0.27 1.34 1.01 -0.52 -1.13 120.40 122.97 2hml s VAL 66 Ca -0.12 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2hml s VAL 66 Cb -0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2hml s VAL 66 CO 0.02 0.30 0.14 0.27 0.00 0.00 0.00 175.10 175.84 2hml s ILE 67 N 1.75 3.92 -0.11 2.22 -4.36 0.53 -0.36 121.20 124.79 2hml s ILE 67 Ca 0.04 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 2hml s ILE 67 Cb -0.13 -3.18 0.02 0.00 1.25 0.00 0.00 42.46 40.42 2hml s ILE 67 CO -0.08 -0.32 -0.11 -0.55 0.24 0.00 0.00 174.94 174.12 2hml s SER 68 N -3.81 2.30 -0.20 4.36 0.15 -0.30 -0.99 113.70 115.21 2hml s SER 68 Ca 0.34 -0.37 -0.11 0.00 0.70 0.00 0.00 55.95 56.50 2hml s SER 68 Cb -0.07 -0.97 -0.05 0.00 -1.71 0.00 0.00 66.02 63.22 2hml s SER 68 CO 0.23 -0.06 0.18 -0.60 1.20 0.00 0.00 173.24 174.20 2hml s ARG 69 N 1.37 4.19 0.40 5.44 3.52 -1.26 -1.28 118.95 131.33 2hml s ARG 69 Ca 0.00 -0.14 -0.27 0.00 -0.13 0.00 0.00 55.73 55.19 2hml s ARG 69 Cb -0.13 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.71 2hml s ARG 69 CO -0.06 0.23 1.42 -2.00 -0.81 0.00 0.00 175.30 174.08 2hml s GLU 70 N 0.54 3.99 -0.13 5.12 2.12 -0.20 -4.94 118.70 125.21 2hml s GLU 70 Ca 0.10 2.42 -0.29 0.00 0.36 0.00 0.00 54.97 57.55 2hml s GLU 70 Cb -0.12 -2.85 -0.02 0.00 0.26 0.00 0.00 34.13 31.40 2hml s GLU 70 CO 0.01 -0.57 1.20 -0.51 -0.54 0.00 0.00 175.26 174.85 2hml s LEU 71 N -2.30 4.21 0.15 2.70 1.43 -1.26 -5.00 118.68 118.61 2hml s LEU 71 Ca 0.55 1.69 0.05 0.00 -1.03 0.00 0.00 54.13 55.39 2hml s LEU 71 Cb -0.43 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 2hml s LEU 71 CO 0.58 -0.67 -0.12 -0.13 0.23 0.00 0.00 176.35 176.24 2hml s ARG 72 N 2.90 1.11 0.32 1.70 1.81 -1.26 -5.12 118.95 120.41 2hml s ARG 72 Ca 0.53 -1.44 -0.29 0.00 -1.72 0.00 0.00 55.73 52.82 2hml s ARG 72 Cb -0.22 -0.77 -0.10 0.00 -0.45 0.00 0.00 34.95 33.41 2hml s ARG 72 CO 0.16 0.11 1.28 0.00 -0.68 0.00 0.00 175.30 176.18 2hml s ALA 73 N -3.03 3.49 0.49 2.13 0.00 -1.26 -4.88 121.76 118.69 2hml s ALA 73 Ca 0.16 1.21 0.19 0.00 0.00 0.00 0.00 51.96 53.52 2hml s ALA 73 Cb 0.00 -3.46 1.22 0.00 0.00 0.00 0.00 23.12 20.89 2hml s ALA 73 CO 0.02 -0.58 2.03 0.00 0.00 0.00 0.00 175.76 177.23 2hml h ALA 74 N 3.51 2.20 -0.24 0.00 0.00 -2.03 -1.16 119.26 121.53 2hml h ALA 74 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2hml h ALA 74 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2hml h ALA 74 CO 0.66 -0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 2hml n SER 75 N -4.45 2.23 -4.67 0.00 3.41 -1.26 -4.96 113.62 103.91 2hml n SER 75 Ca 0.07 -1.82 -0.42 0.00 -0.26 0.00 0.00 58.87 56.44 2hml n SER 75 Cb 0.39 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 2hml n SER 75 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2hml s GLU 76 N -1.69 4.18 0.00 4.33 2.56 -0.44 -4.88 118.70 122.77 2hml s GLU 76 Ca 0.34 2.34 0.00 0.00 0.00 0.00 0.00 54.97 57.64 2hml s GLU 76 Cb 0.19 -3.83 0.00 0.00 2.00 0.00 0.00 34.13 32.49 2hml s GLU 76 CO 0.27 -0.81 0.01 2.89 -0.56 0.00 0.00 175.26 177.06 2hml n ARG 77 N 6.45 4.22 -0.10 4.30 0.00 -1.26 -4.90 116.66 125.37 2hml n ARG 77 Ca 0.17 -0.01 -0.17 0.00 -0.00 0.00 0.00 57.85 57.84 2hml n ARG 77 Cb 0.41 -0.32 -0.08 0.00 -0.00 0.00 0.00 32.46 32.47 2hml n ARG 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2hml n ARG 78 N -0.61 0.46 -2.07 2.89 1.74 -1.26 -4.96 116.66 112.84 2hml n ARG 78 Ca 0.00 0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.81 2hml n ARG 78 Cb 0.00 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 2hml n ARG 78 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2hml s TYR 79 N -2.38 2.34 0.00 -1.55 5.04 -1.26 -4.90 117.35 114.65 2hml s TYR 79 Ca -0.27 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.79 2hml s TYR 79 Cb 0.09 -3.83 0.00 0.00 0.35 0.00 0.00 41.96 38.56 2hml s TYR 79 CO 0.40 -3.36 0.47 1.17 -1.34 0.00 0.00 175.55 172.89 2hml n LYS 80 N 6.36 -0.73 -1.86 4.97 3.00 -1.26 -5.07 118.16 123.57 2hml n LYS 80 Ca 0.16 -0.49 -0.30 0.00 -0.00 0.00 0.00 58.31 57.68 2hml n LYS 80 Cb 0.43 -0.95 0.06 0.00 0.00 0.00 0.00 35.03 34.57 2hml n LYS 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2hml s LEU 81 N -0.04 2.82 -0.20 3.14 1.43 -1.26 -4.83 118.68 119.74 2hml s LEU 81 Ca 0.00 1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 54.02 2hml s LEU 81 Cb 0.00 -3.84 -0.08 0.00 0.03 0.00 0.00 46.19 42.30 2hml s LEU 81 CO 0.00 -1.46 0.79 0.59 0.23 0.00 0.00 176.35 176.50 2hml n ASN 82 N -3.08 0.35 0.17 2.29 5.03 -1.26 -4.83 115.26 113.93 2hml n ASN 82 Ca 0.07 0.32 0.04 0.00 0.87 0.00 0.00 54.58 55.89 2hml n ASN 82 Cb 0.58 -0.35 0.20 0.00 -1.02 0.00 0.00 39.78 39.19 2hml n ASN 82 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2hml h GLU 83 N 3.12 0.00 -3.91 3.52 5.08 -1.97 -3.47 114.58 116.94 2hml h GLU 83 Ca -0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2hml h GLU 83 Cb 0.55 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.65 2hml h GLU 83 CO 0.42 0.44 -0.50 0.00 -1.00 0.00 0.00 179.01 178.36 2hml s ALA 84 N -3.31 0.02 0.31 3.43 0.00 -1.26 -1.03 121.76 119.92 2hml s ALA 84 Ca 0.02 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.33 2hml s ALA 84 Cb 0.09 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 2hml s ALA 84 CO 0.71 -0.41 0.01 0.00 0.00 0.00 0.00 175.76 176.08 2hml s MET 85 N -3.43 2.17 -0.43 0.00 0.23 -0.40 -4.96 119.30 112.48 2hml s MET 85 Ca 0.02 -1.61 -0.15 0.00 -1.03 0.00 0.00 55.69 52.93 2hml s MET 85 Cb 0.04 -2.04 0.04 0.00 -1.53 0.00 0.00 34.83 31.34 2hml s MET 85 CO -0.08 0.22 0.33 -0.80 -2.03 0.00 0.00 175.02 172.65 2hml s ASN 86 N -3.71 6.09 0.08 -1.18 0.01 -1.26 -1.15 114.94 113.82 2hml s ASN 86 Ca 0.34 -1.08 -0.17 0.00 -0.71 0.00 0.00 52.86 51.24 2hml s ASN 86 Cb -0.03 -2.15 -0.09 0.00 0.41 0.00 0.00 41.25 39.38 2hml s ASN 86 CO 0.20 -0.52 1.44 0.58 -1.51 0.00 0.00 177.10 177.29 2hml h VAL 87 N 5.70 1.30 -4.27 1.60 2.07 -1.02 -3.43 116.25 118.21 2hml h VAL 87 Ca -0.27 -1.23 -0.53 0.00 0.82 0.00 0.00 66.70 65.49 2hml h VAL 87 Cb 1.11 1.56 -0.29 0.00 -1.52 0.00 0.00 31.29 32.16 2hml h VAL 87 CO 0.78 0.38 -0.83 -0.31 0.02 0.00 0.00 177.57 177.62 2hml s TYR 88 N -4.56 1.50 -0.48 1.57 2.02 -0.86 -4.95 117.35 111.59 2hml s TYR 88 Ca -0.13 -0.29 0.06 0.00 -0.37 0.00 0.00 57.07 56.34 2hml s TYR 88 Cb 0.08 -0.96 0.21 0.00 -0.40 0.00 0.00 41.96 40.89 2hml s TYR 88 CO 0.78 -0.01 0.70 -1.71 -1.57 0.00 0.00 175.55 173.74 2hml n ASN 89 N 2.55 -2.49 -4.49 2.29 5.15 -1.18 -1.44 115.26 115.66 2hml n ASN 89 Ca -0.15 -2.93 -0.33 0.00 -0.60 0.00 0.00 54.58 50.57 2hml n ASN 89 Cb 0.54 1.19 -0.13 0.00 -0.53 0.00 0.00 39.78 40.86 2hml n ASN 89 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2hml s GLU 90 N 0.50 3.20 0.84 1.20 0.41 0.26 -4.90 118.70 120.21 2hml s GLU 90 Ca 0.32 -0.59 -0.07 0.00 -0.41 0.00 0.00 54.97 54.22 2hml s GLU 90 Cb 0.09 -2.68 0.18 0.00 -1.78 0.00 0.00 34.13 29.94 2hml s GLU 90 CO -0.14 0.40 1.15 0.27 -0.49 0.00 0.00 175.26 176.46 2hml n ASN 91 N 3.01 0.88 -0.19 -0.19 0.23 -1.26 -0.86 115.26 116.86 2hml n ASN 91 Ca -0.18 -1.90 -0.05 0.00 -0.53 0.00 0.00 54.58 51.93 2hml n ASN 91 Cb 0.53 -0.81 0.05 0.00 -2.08 0.00 0.00 39.78 37.47 2hml n ASN 91 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2hml h PHE 92 N -1.08 0.64 -0.81 -2.53 3.04 -1.76 -1.21 116.94 113.23 2hml h PHE 92 Ca -0.38 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.55 2hml h PHE 92 Cb 1.23 -0.21 -0.04 0.00 2.56 0.00 0.00 35.95 39.50 2hml h PHE 92 CO 0.00 0.36 0.35 0.37 -2.02 0.00 0.00 178.31 177.37 2hml h GLN 93 N 0.68 1.19 -0.59 1.11 5.75 -1.95 0.30 115.11 121.60 2hml h GLN 93 Ca 0.23 -0.20 -0.10 0.00 -0.15 0.00 0.00 58.65 58.43 2hml h GLN 93 Cb 0.03 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 2hml h GLN 93 CO -0.10 0.94 -0.04 1.96 -2.65 0.00 0.00 178.83 178.94 2hml h GLN 94 N 1.16 1.06 -0.88 1.69 4.20 -1.83 -0.76 115.11 119.75 2hml h GLN 94 Ca 0.27 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2hml h GLN 94 Cb 0.18 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 2hml h GLN 94 CO -0.03 1.06 0.50 -0.07 -0.67 0.00 0.00 178.83 179.62 2hml h LEU 95 N 0.96 1.08 -0.69 1.46 3.38 -0.88 -2.24 115.31 118.37 2hml h LEU 95 Ca 0.16 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2hml h LEU 95 Cb 0.61 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2hml h LEU 95 CO 0.04 0.86 0.45 0.50 0.09 0.00 0.00 178.44 180.37 2hml h LYS 96 N 1.22 0.87 -0.39 1.13 3.64 -0.52 0.29 116.57 122.81 2hml h LYS 96 Ca 0.31 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.69 2hml h LYS 96 Cb -0.00 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.58 2hml h LYS 96 CO -0.05 0.58 0.12 0.28 -2.27 0.00 0.00 179.45 178.10 2hml h VAL 97 N 0.90 0.86 -0.68 2.00 2.07 -0.88 0.33 116.25 120.85 2hml h VAL 97 Ca 0.27 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 2hml h VAL 97 Cb -0.05 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2hml h VAL 97 CO -0.08 0.05 0.31 0.03 0.02 0.00 0.00 177.57 177.90 2hml h ARG 98 N 0.27 0.98 -0.38 1.57 3.08 -0.86 -0.66 114.38 118.39 2hml h ARG 98 Ca 0.18 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 2hml h ARG 98 Cb 0.18 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2hml h ARG 98 CO -0.20 0.77 -0.16 0.28 -1.07 0.00 0.00 179.97 179.59 2hml h VAL 99 N 0.97 1.28 -0.88 2.04 2.07 -0.45 -1.49 116.25 119.80 2hml h VAL 99 Ca 0.23 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2hml h VAL 99 Cb 0.13 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2hml h VAL 99 CO -0.03 0.42 0.45 -0.33 0.02 0.00 0.00 177.57 178.11 2hml h GLU 100 N 0.57 1.25 -0.82 1.57 4.39 -0.66 -1.46 114.58 119.42 2hml h GLU 100 Ca 0.09 -0.17 0.04 0.00 0.34 0.00 0.00 59.36 59.66 2hml h GLU 100 Cb 0.70 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 2hml h GLU 100 CO 0.05 0.94 0.52 1.25 -1.16 0.00 0.00 179.01 180.61 2hml h HIS 101 N 1.24 0.98 -0.61 4.33 2.76 -0.85 -0.72 115.15 122.28 2hml h HIS 101 Ca 0.31 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.45 2hml h HIS 101 Cb 0.08 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 2hml h HIS 101 CO 0.01 0.55 0.15 1.96 -1.30 0.00 0.00 177.93 179.31 2hml h GLN 102 N 1.01 0.94 0.00 5.26 1.08 -0.47 -3.14 115.11 119.79 2hml h GLN 102 Ca 0.33 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2hml h GLN 102 Cb 0.03 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 2hml h GLN 102 CO -0.12 0.83 -0.38 1.28 -0.95 0.00 0.00 178.83 179.50 2hml n LEU 103 N -4.26 0.53 -4.71 1.46 4.32 -0.63 -4.91 117.00 108.80 2hml n LEU 103 Ca 0.05 0.27 -0.42 0.00 -0.02 0.00 0.00 56.01 55.88 2hml n LEU 103 Cb 0.23 -0.28 -0.03 0.00 -1.62 0.00 0.00 43.42 41.72 2hml n LEU 103 CO 0.41 -0.01 1.31 -0.62 -1.22 0.00 0.00 177.39 177.26 2hml s ASP 104 N -3.69 6.49 0.17 -1.43 -1.08 -0.31 -4.87 116.67 111.94 2hml s ASP 104 Ca 0.10 2.71 0.17 0.00 -0.52 0.00 0.00 52.55 55.02 2hml s ASP 104 Cb 0.15 -2.59 0.78 0.00 -1.46 0.00 0.00 42.92 39.81 2hml s ASP 104 CO 0.66 -0.90 1.53 -0.81 0.52 0.00 0.00 175.17 176.17 2hml n PRO 105 N 4.25 0.10 -0.76 4.34 -0.04 -1.26 -1.51 135.00 140.12 2hml n PRO 105 Ca 0.15 0.43 0.08 0.00 -0.04 0.00 0.00 63.50 64.12 2hml n PRO 105 Cb 0.37 -1.74 0.37 0.00 -0.04 0.00 0.00 33.50 32.47 2hml n PRO 105 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hml n GLN 106 N -1.94 4.34 -2.61 0.54 6.02 -1.26 -4.75 117.38 117.71 2hml n GLN 106 Ca 0.01 -3.04 -0.42 0.00 -0.01 0.00 0.00 57.00 53.55 2hml n GLN 106 Cb 0.14 -2.11 -0.03 0.00 1.02 0.00 0.00 30.24 29.27 2hml n GLN 106 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2hml s ASN 107 N -0.97 6.55 0.53 1.08 3.84 -0.57 -4.83 114.94 120.56 2hml s ASN 107 Ca 0.52 -1.61 0.23 0.00 0.21 0.00 0.00 52.86 52.21 2hml s ASN 107 Cb 0.38 -2.55 1.44 0.00 -0.55 0.00 0.00 41.25 39.97 2hml s ASN 107 CO 0.17 -1.43 2.13 -0.50 -2.79 0.00 0.00 177.10 174.68 2hml h TRP 108 N 9.50 0.00 0.00 0.43 4.06 -1.88 -1.79 115.95 126.27 2hml h TRP 108 Ca 0.22 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.17 2hml h TRP 108 Cb 1.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.16 2hml h TRP 108 CO 1.28 0.08 0.00 0.78 -3.56 0.00 0.00 178.44 177.01 2hml h GLY 109 N 0.37 0.00 -2.30 1.49 0.00 -1.98 -2.62 103.07 98.04 2hml h GLY 109 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hml h GLY 109 CO 0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.25 2hml n ASN 110 N -2.71 3.38 -3.99 0.19 3.02 -0.67 -4.78 115.26 109.70 2hml n ASN 110 Ca -0.00 -2.08 -0.28 0.00 -0.03 0.00 0.00 54.58 52.18 2hml n ASN 110 Cb 0.17 -0.43 -0.17 0.00 -0.61 0.00 0.00 39.78 38.75 2hml n ASN 110 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2hml s SER 111 N -0.96 2.42 0.69 6.41 0.15 -0.99 -2.98 113.70 118.43 2hml s SER 111 Ca 0.41 -0.41 -0.14 0.00 0.70 0.00 0.00 55.95 56.51 2hml s SER 111 Cb 0.22 -1.03 0.01 0.00 -1.71 0.00 0.00 66.02 63.51 2hml s SER 111 CO 0.26 -0.05 1.11 -2.16 1.20 0.00 0.00 173.24 173.59 2hml s PRO 112 N 1.40 2.64 0.23 5.44 0.04 -1.26 -5.00 135.00 138.48 2hml s PRO 112 Ca 0.01 1.37 -0.32 0.00 0.04 0.00 0.00 61.00 62.11 2hml s PRO 112 Cb -0.13 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 2hml s PRO 112 CO -0.07 -1.38 1.40 1.17 0.04 0.00 0.00 177.00 178.16 2hml n LYS 113 N -2.67 1.97 -0.99 4.56 4.81 -1.16 -4.82 118.16 119.86 2hml n LYS 113 Ca 0.10 0.70 -0.31 0.00 -0.87 0.00 0.00 58.31 57.94 2hml n LYS 113 Cb 0.52 -2.35 0.14 0.00 0.02 0.00 0.00 35.03 33.35 2hml n LYS 113 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2hml s LEU 114 N 0.19 2.70 -0.11 3.14 1.02 -1.26 -4.88 118.68 119.47 2hml s LEU 114 Ca 0.69 1.89 0.01 0.00 0.02 0.00 0.00 54.13 56.74 2hml s LEU 114 Cb -0.67 -4.38 0.02 0.00 0.02 0.00 0.00 46.19 41.19 2hml s LEU 114 CO 0.49 -2.68 -0.12 -0.13 0.02 0.00 0.00 176.35 173.94 2hml s ARG 115 N -4.78 1.91 -0.04 1.70 1.81 -0.50 -5.01 118.95 114.04 2hml s ARG 115 Ca 0.64 -0.42 0.03 0.00 -1.72 0.00 0.00 55.73 54.26 2hml s ARG 115 Cb -0.20 -1.76 -0.03 0.00 -0.45 0.00 0.00 34.95 32.51 2hml s ARG 115 CO 0.57 -0.17 -0.12 -0.06 -0.68 0.00 0.00 175.30 174.84 2hml s PHE 116 N 1.34 2.75 -0.06 -0.53 0.40 -1.26 -1.06 117.98 119.57 2hml s PHE 116 Ca -0.00 -0.12 -0.03 0.00 -0.60 0.00 0.00 56.93 56.18 2hml s PHE 116 Cb -0.14 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.80 2hml s PHE 116 CO -0.06 0.24 0.11 0.99 0.70 0.00 0.00 175.22 177.20 2hml s THR 117 N -0.78 -0.18 -0.04 0.64 2.01 -0.51 -4.77 115.64 112.00 2hml s THR 117 Ca 0.12 0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.55 2hml s THR 117 Cb -0.11 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 2hml s THR 117 CO 0.02 0.17 -0.11 -0.13 -0.69 0.00 0.00 174.62 173.87 2hml s ARG 118 N 2.23 2.57 -0.23 4.92 0.52 -1.26 -0.79 118.95 126.90 2hml s ARG 118 Ca 0.04 -0.66 0.02 0.00 -0.52 0.00 0.00 55.73 54.61 2hml s ARG 118 Cb -0.12 -2.46 0.05 0.00 0.52 0.00 0.00 34.95 32.94 2hml s ARG 118 CO -0.04 0.63 -0.10 -0.06 0.02 0.00 0.00 175.30 175.75 2hml s PHE 119 N -0.81 2.79 -0.19 -0.53 0.40 0.55 -4.99 117.98 115.20 2hml s PHE 119 Ca 0.13 -1.93 -0.05 0.00 -0.60 0.00 0.00 56.93 54.47 2hml s PHE 119 Cb -0.11 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 2hml s PHE 119 CO 0.02 -0.81 0.01 0.42 0.70 0.00 0.00 175.22 175.56 2hml s ILE 120 N 1.27 4.17 0.29 0.64 -1.09 -1.26 -1.18 121.20 124.03 2hml s ILE 120 Ca -0.05 -0.25 0.04 0.00 -2.23 0.00 0.00 60.65 58.16 2hml s ILE 120 Cb -0.18 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 2hml s ILE 120 CO -0.07 0.45 0.25 0.42 -1.23 0.00 0.00 174.94 174.76 2hml s THR 121 N 0.70 0.00 -1.41 2.92 -4.23 -0.26 -4.94 115.64 108.41 2hml s THR 121 Ca 0.00 -1.96 -0.08 0.00 -1.18 0.00 0.00 61.69 58.47 2hml s THR 121 Cb -0.14 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.24 2hml s THR 121 CO 0.02 0.00 0.96 0.59 -0.54 0.00 0.00 174.62 175.66 2hml n ASN 122 N -1.11 -4.06 -4.72 3.99 4.13 -1.26 -1.18 115.26 111.06 2hml n ASN 122 Ca 0.05 -0.72 -0.42 0.00 1.68 0.00 0.00 54.58 55.17 2hml n ASN 122 Cb 0.63 -4.29 -0.03 0.00 -1.54 0.00 0.00 39.78 34.55 2hml n ASN 122 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2hml s VAL 123 N -3.40 3.95 0.02 2.41 1.01 -1.26 -4.29 120.40 118.84 2hml s VAL 123 Ca 0.43 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.87 2hml s VAL 123 Cb -0.21 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2hml s VAL 123 CO 0.80 0.12 -0.11 -1.10 0.00 0.00 0.00 175.10 174.81 2hml s GLN 124 N 0.92 0.75 -0.01 2.72 -0.21 0.10 -4.99 119.66 118.95 2hml s GLN 124 Ca 0.58 -0.57 0.01 0.00 0.02 0.00 0.00 55.36 55.40 2hml s GLN 124 Cb -0.30 -0.71 0.00 0.00 1.00 0.00 0.00 33.01 33.01 2hml s GLN 124 CO 0.30 0.18 -0.01 0.00 -2.12 0.00 0.00 175.29 173.63 2hml s ALA 125 N -0.67 0.17 -0.14 6.09 0.00 -1.26 -0.47 121.76 125.48 2hml s ALA 125 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 2hml s ALA 125 Cb -0.06 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.01 2hml s ALA 125 CO 0.00 0.02 0.36 0.00 0.00 0.00 0.00 175.76 176.15 2hml s ALA 126 N 0.15 -0.90 0.39 0.00 0.00 0.22 -4.74 121.76 116.87 2hml s ALA 126 Ca -0.01 1.10 -0.25 0.00 0.00 0.00 0.00 51.96 52.80 2hml s ALA 126 Cb -0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 23.12 22.36 2hml s ALA 126 CO -0.00 -0.19 1.13 -1.64 0.00 0.00 0.00 175.76 175.06 2hml s MET 127 N 0.44 4.12 0.48 0.00 -1.94 -1.26 -0.17 119.30 120.97 2hml s MET 127 Ca -0.02 1.74 -0.24 0.00 -1.71 0.00 0.00 55.69 55.46 2hml s MET 127 Cb -0.04 -2.67 -0.07 0.00 2.01 0.00 0.00 34.83 34.06 2hml s MET 127 CO -0.02 -0.23 1.37 0.34 -0.01 0.00 0.00 175.02 176.46 2hml s ASP 128 N -1.24 5.73 0.18 3.03 2.15 0.25 -4.84 116.67 121.92 2hml s ASP 128 Ca 0.56 2.78 -0.10 0.00 0.43 0.00 0.00 52.55 56.23 2hml s ASP 128 Cb -0.28 -2.64 0.07 0.00 -0.30 0.00 0.00 42.92 39.77 2hml s ASP 128 CO 0.35 -1.26 1.67 0.58 -0.17 0.00 0.00 175.17 176.34 2hml h VAL 129 N 1.97 1.26 0.01 1.11 2.07 -1.94 -3.38 116.25 117.36 2hml h VAL 129 Ca -0.51 -1.02 -0.41 0.00 0.82 0.00 0.00 66.70 65.59 2hml h VAL 129 Cb 1.27 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 2hml h VAL 129 CO 0.60 0.38 -2.39 0.59 0.02 0.00 0.00 177.57 176.76 2hml n ASN 130 N -4.27 1.98 -4.30 0.57 3.02 -1.26 -4.71 115.26 106.29 2hml n ASN 130 Ca 0.03 0.09 -0.46 0.00 -0.03 0.00 0.00 54.58 54.22 2hml n ASN 130 Cb 0.29 -0.62 -0.04 0.00 -0.61 0.00 0.00 39.78 38.79 2hml n ASN 130 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2hml s ASP 131 N -6.93 6.40 0.00 6.41 -1.08 -1.26 -4.93 116.67 115.29 2hml s ASP 131 Ca -0.35 -2.30 0.00 0.00 -0.52 0.00 0.00 52.55 49.38 2hml s ASP 131 Cb 0.11 -2.18 0.01 0.00 -1.46 0.00 0.00 42.92 39.40 2hml s ASP 131 CO 0.58 -0.68 0.86 0.29 0.52 0.00 0.00 175.17 176.74 2hml n LYS 132 N 4.50 0.00 -0.02 4.34 5.02 -1.26 -0.80 118.16 129.95 2hml n LYS 132 Ca 0.01 0.35 0.09 0.00 -2.02 0.00 0.00 58.31 56.74 2hml n LYS 132 Cb 0.43 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.03 2hml n LYS 132 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2hml n GLU 133 N -1.35 1.58 -3.64 1.97 1.02 -1.26 -4.86 120.64 114.09 2hml n GLU 133 Ca 0.00 -1.63 -0.37 0.00 -0.02 0.00 0.00 57.16 55.15 2hml n GLU 133 Cb 0.00 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 2hml n GLU 133 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2hml s LEU 134 N -1.46 4.10 -0.25 -4.62 2.96 0.02 -4.17 118.68 115.26 2hml s LEU 134 Ca 0.22 0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 54.15 2hml s LEU 134 Cb 0.15 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 2hml s LEU 134 CO 0.23 0.04 0.07 -0.22 -1.32 0.00 0.00 176.35 175.15 2hml s LEU 135 N 1.21 3.47 -0.21 -0.68 2.96 0.84 -0.59 118.68 125.68 2hml s LEU 135 Ca 0.08 -0.19 -0.23 0.00 -0.22 0.00 0.00 54.13 53.56 2hml s LEU 135 Cb -0.14 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 2hml s LEU 135 CO 0.06 -0.02 0.76 -1.00 -1.32 0.00 0.00 176.35 174.83 2hml s HIS 136 N 1.56 3.36 -0.09 5.38 3.76 0.76 -0.33 115.29 129.70 2hml s HIS 136 Ca 0.06 1.09 0.03 0.00 -0.15 0.00 0.00 55.06 56.09 2hml s HIS 136 Cb -0.15 -2.96 0.01 0.00 1.11 0.00 0.00 32.58 30.59 2hml s HIS 136 CO 0.04 -0.29 -0.17 0.42 -0.85 0.00 0.00 174.74 173.89 2hml s ILE 137 N 2.36 1.53 -0.09 0.60 1.01 -0.65 -0.61 121.20 125.34 2hml s ILE 137 Ca 0.34 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2hml s ILE 137 Cb -0.16 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 2hml s ILE 137 CO 0.10 0.44 -0.10 -0.60 0.00 0.00 0.00 174.94 174.78 2hml s ARG 138 N 0.63 2.95 0.11 2.79 3.52 0.38 -0.62 118.95 128.72 2hml s ARG 138 Ca -0.14 -0.62 -0.19 0.00 -0.13 0.00 0.00 55.73 54.65 2hml s ARG 138 Cb -0.16 -2.58 0.04 0.00 -1.56 0.00 0.00 34.95 30.69 2hml s ARG 138 CO 0.04 0.49 0.46 -1.54 -0.81 0.00 0.00 175.30 173.94 2hml s SER 139 N -0.36 -0.34 0.04 -2.12 1.04 -0.81 -0.72 113.70 110.43 2hml s SER 139 Ca 0.04 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.37 2hml s SER 139 Cb -0.12 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2hml s SER 139 CO 0.02 -0.83 -0.06 0.20 0.98 0.00 0.00 173.24 173.55 2hml s ASN 140 N -2.58 4.69 -0.04 7.02 0.01 -0.32 0.46 114.94 124.18 2hml s ASN 140 Ca 0.00 -0.19 0.03 0.00 -0.71 0.00 0.00 52.86 52.00 2hml s ASN 140 Cb 0.01 -1.07 0.00 0.00 0.41 0.00 0.00 41.25 40.60 2hml s ASN 140 CO -0.10 0.24 -0.14 0.54 -1.51 0.00 0.00 177.10 176.14 2hml s VAL 141 N -1.11 1.16 -0.19 1.60 0.11 0.35 -1.10 120.40 121.23 2hml s VAL 141 Ca 0.20 -0.56 -0.07 0.00 -2.93 0.00 0.00 61.98 58.61 2hml s VAL 141 Cb -0.11 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 2hml s VAL 141 CO 0.11 0.35 0.05 -0.63 -3.33 0.00 0.00 175.10 171.64 2hml s ILE 142 N 0.14 4.54 -0.15 7.04 1.01 -0.33 -1.69 121.20 131.76 2hml s ILE 142 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.49 2hml s ILE 142 Cb -0.11 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.33 2hml s ILE 142 CO 0.02 0.43 -0.14 -0.22 0.00 0.00 0.00 174.94 175.03 2hml s LEU 143 N 0.68 1.68 -0.22 2.97 0.20 -0.26 -0.33 118.68 123.39 2hml s LEU 143 Ca 0.02 -0.48 -0.06 0.00 0.69 0.00 0.00 54.13 54.30 2hml s LEU 143 Cb -0.13 -1.17 -0.03 0.00 -0.43 0.00 0.00 46.19 44.43 2hml s LEU 143 CO 0.02 -0.06 0.04 -2.28 -0.29 0.00 0.00 176.35 173.78 2hml s HIS 144 N 1.49 3.08 -0.14 5.38 5.65 0.02 -0.24 115.29 130.55 2hml s HIS 144 Ca 0.05 -0.39 0.02 0.00 0.25 0.00 0.00 55.06 54.99 2hml s HIS 144 Cb -0.13 -2.16 0.01 0.00 -1.18 0.00 0.00 32.58 29.12 2hml s HIS 144 CO -0.11 -0.26 -0.19 0.50 -0.65 0.00 0.00 174.74 174.03 2hml s ARG 145 N 1.25 2.67 -0.05 2.88 3.52 -0.07 -1.42 118.95 127.74 2hml s ARG 145 Ca 0.04 -0.72 0.05 0.00 -0.13 0.00 0.00 55.73 54.97 2hml s ARG 145 Cb -0.15 -2.23 -0.01 0.00 -1.56 0.00 0.00 34.95 31.01 2hml s ARG 145 CO 0.03 -0.08 -0.19 0.00 -0.81 0.00 0.00 175.30 174.25 2hml s ALA 146 N 1.00 1.67 0.07 6.12 0.00 -0.22 -0.85 121.76 129.55 2hml s ALA 146 Ca -0.04 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 50.95 2hml s ALA 146 Cb -0.15 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.48 2hml s ALA 146 CO -0.04 0.31 0.45 -0.98 0.00 0.00 0.00 175.76 175.50 2hml s ARG 147 N -0.02 1.01 -1.49 0.00 1.70 -0.61 -1.41 118.95 118.13 2hml s ARG 147 Ca -0.03 -0.43 -0.11 0.00 -0.47 0.00 0.00 55.73 54.69 2hml s ARG 147 Cb -0.12 0.45 0.07 0.00 -0.57 0.00 0.00 34.95 34.78 2hml s ARG 147 CO 0.02 -0.37 0.94 0.54 -1.08 0.00 0.00 175.30 175.35 2hml n ARG 148 N 0.23 -5.45 0.00 3.89 1.74 -1.26 -1.55 116.66 114.26 2hml n ARG 148 Ca -0.18 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 2hml n ARG 148 Cb 0.61 -5.43 0.00 0.00 -1.02 0.00 0.00 32.46 26.62 2hml n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hml n GLY 149 N -1.69 1.98 0.22 -0.13 0.00 -1.26 -4.25 105.19 100.07 2hml n GLY 149 Ca -0.02 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.77 2hml n GLY 149 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hml n ASN 150 N 3.41 0.95 -4.66 1.61 0.23 -1.24 -5.01 115.26 110.55 2hml n ASN 150 Ca 0.00 -2.15 -0.38 0.00 -0.53 0.00 0.00 54.58 51.52 2hml n ASN 150 Cb 0.00 -0.21 -0.08 0.00 -2.08 0.00 0.00 39.78 37.41 2hml n ASN 150 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2hml s GLN 151 N -0.98 4.13 -0.04 -3.83 0.74 -0.60 -5.01 119.66 114.07 2hml s GLN 151 Ca 0.10 0.11 -0.01 0.00 0.05 0.00 0.00 55.36 55.60 2hml s GLN 151 Cb 0.08 -3.56 0.03 0.00 1.10 0.00 0.00 33.01 30.67 2hml s GLN 151 CO 0.01 -0.06 0.02 0.08 -0.55 0.00 0.00 175.29 174.79 2hml s VAL 152 N 1.40 0.13 -0.06 1.34 1.01 -1.26 -1.58 120.40 121.38 2hml s VAL 152 Ca 0.17 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.39 2hml s VAL 152 Cb -0.15 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 35.94 2hml s VAL 152 CO 0.08 0.19 -0.13 -1.81 0.00 0.00 0.00 175.10 173.43 2hml s ASP 153 N 1.68 1.80 -0.11 3.32 1.01 -0.03 -5.01 116.67 119.33 2hml s ASP 153 Ca -0.01 -0.30 0.02 0.00 0.71 0.00 0.00 52.55 52.98 2hml s ASP 153 Cb -0.13 -0.76 0.01 0.00 1.01 0.00 0.00 42.92 43.05 2hml s ASP 153 CO -0.03 0.06 -0.19 -0.69 0.21 0.00 0.00 175.17 174.52 2hml s VAL 154 N 0.53 1.78 0.06 -1.27 1.01 -1.26 -0.89 120.40 120.36 2hml s VAL 154 Ca -0.12 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.07 2hml s VAL 154 Cb -0.15 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2hml s VAL 154 CO 0.03 0.50 -0.03 -0.36 0.00 0.00 0.00 175.10 175.24 2hml s PHE 155 N 0.77 2.94 -0.04 5.22 0.40 0.67 -4.95 117.98 122.99 2hml s PHE 155 Ca -0.10 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 2hml s PHE 155 Cb -0.16 -1.56 0.02 0.00 0.51 0.00 0.00 43.02 41.84 2hml s PHE 155 CO 0.01 0.44 -0.02 0.71 0.70 0.00 0.00 175.22 177.06 2hml s TYR 156 N -1.18 0.56 0.00 0.36 1.51 -1.26 -1.10 117.35 116.24 2hml s TYR 156 Ca 0.22 -0.11 -0.28 0.00 -1.01 0.00 0.00 57.07 55.88 2hml s TYR 156 Cb -0.11 -0.57 0.08 0.00 -0.11 0.00 0.00 41.96 41.24 2hml s TYR 156 CO 0.13 -0.18 0.73 0.00 -1.11 0.00 0.00 175.55 175.12 2hml s ALA 157 N 1.08 -1.75 -0.15 3.71 0.00 -0.68 -4.52 121.76 119.45 2hml s ALA 157 Ca -0.09 1.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.88 2hml s ALA 157 Cb -0.14 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2hml s ALA 157 CO -0.01 -0.52 0.09 0.00 0.00 0.00 0.00 175.76 175.32 2hml s ALA 158 N -2.17 3.60 -0.20 0.00 0.00 -1.26 -0.49 121.76 121.25 2hml s ALA 158 Ca -0.04 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2hml s ALA 158 Cb -0.00 -1.92 -0.00 0.00 0.00 0.00 0.00 23.12 21.20 2hml s ALA 158 CO -0.00 0.39 -0.10 1.03 0.00 0.00 0.00 175.76 177.07 2hml s ARG 159 N -0.31 3.26 -0.45 0.00 0.52 0.17 -4.44 118.95 117.70 2hml s ARG 159 Ca 0.10 -0.70 -0.14 0.00 -0.52 0.00 0.00 55.73 54.47 2hml s ARG 159 Cb -0.12 -2.82 0.07 0.00 0.52 0.00 0.00 34.95 32.60 2hml s ARG 159 CO 0.01 -0.15 0.35 -1.21 0.02 0.00 0.00 175.30 174.32 2hml s GLU 160 N 1.27 2.89 0.18 3.54 2.02 -0.45 -1.93 118.70 126.21 2hml s GLU 160 Ca 0.03 -1.34 0.07 0.00 0.02 0.00 0.00 54.97 53.76 2hml s GLU 160 Cb -0.14 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.03 2hml s GLU 160 CO -0.05 -0.97 0.01 -0.51 0.02 0.00 0.00 175.26 173.75 2hml s ASP 161 N 2.37 4.81 -0.09 -0.19 1.01 0.21 -0.75 116.67 124.04 2hml s ASP 161 Ca 0.04 -0.39 0.03 0.00 0.71 0.00 0.00 52.55 52.94 2hml s ASP 161 Cb -0.23 -1.03 0.01 0.00 1.01 0.00 0.00 42.92 42.67 2hml s ASP 161 CO 0.06 0.08 -0.19 -0.54 0.21 0.00 0.00 175.17 174.79 2hml s LYS 162 N -2.98 2.52 0.05 8.23 1.02 0.35 -1.64 119.74 127.29 2hml s LYS 162 Ca 0.28 -0.69 0.08 0.00 0.02 0.00 0.00 55.97 55.65 2hml s LYS 162 Cb -0.09 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 2hml s LYS 162 CO 0.19 0.09 -0.22 -1.58 -0.92 0.00 0.00 175.35 172.91 2hml s TRP 163 N 0.56 1.89 -0.03 3.18 0.52 0.56 -0.35 118.94 125.26 2hml s TRP 163 Ca -0.15 -0.38 -0.06 0.00 0.02 0.00 0.00 56.10 55.53 2hml s TRP 163 Cb -0.17 -1.12 0.01 0.00 -1.15 0.00 0.00 33.47 31.04 2hml s TRP 163 CO 0.05 0.11 0.14 0.21 0.02 0.00 0.00 176.95 177.48 2hml s LYS 164 N -1.24 0.29 0.13 4.98 2.20 0.16 -0.11 119.74 126.16 2hml s LYS 164 Ca 0.08 -0.02 -0.31 0.00 -0.36 0.00 0.00 55.97 55.36 2hml s LYS 164 Cb -0.09 0.13 -0.09 0.00 -1.51 0.00 0.00 37.83 36.26 2hml s LYS 164 CO 0.02 -0.05 1.53 1.03 -0.36 0.00 0.00 175.35 177.52 2hml s ARG 165 N -0.47 4.24 0.00 4.03 0.52 -1.26 -1.14 118.95 124.87 2hml s ARG 165 Ca -0.05 2.28 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 2hml s ARG 165 Cb -0.04 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.19 2hml s ARG 165 CO 0.01 -0.58 0.00 0.41 0.02 0.00 0.00 175.30 175.15 2hml n GLY 166 N 3.72 4.69 3.70 -3.53 0.00 0.12 -4.90 105.19 108.98 2hml n GLY 166 Ca 0.14 -1.30 -0.44 0.00 0.00 0.00 0.00 46.02 44.41 2hml n GLY 166 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hml n GLU 167 N 0.00 2.53 -1.12 1.61 4.71 -1.26 -1.36 120.64 125.74 2hml n GLU 167 Ca 0.00 0.91 -0.04 0.00 -0.01 0.00 0.00 57.16 58.02 2hml n GLU 167 Cb 0.00 -2.73 -0.02 0.00 -1.01 0.00 0.00 31.44 27.68 2hml n GLU 167 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2hml n GLY 168 N 3.76 0.63 2.28 0.62 0.00 -1.26 -2.86 105.19 108.37 2hml n GLY 168 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 2hml n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hml n GLY 169 N -1.39 0.43 3.70 -0.02 0.00 -0.47 -5.01 105.19 102.43 2hml n GLY 169 Ca -0.04 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2hml n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hml s VAL 170 N -1.78 4.65 0.07 1.61 1.01 -1.13 -4.60 120.40 120.21 2hml s VAL 170 Ca 0.00 1.91 -0.31 0.00 0.00 0.00 0.00 61.98 63.58 2hml s VAL 170 Cb 0.00 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 2hml s VAL 170 CO 0.00 0.09 1.38 -0.13 0.00 0.00 0.00 175.10 176.44 2hml s ARG 171 N 1.42 4.32 0.08 2.72 0.52 -1.26 0.13 118.95 126.87 2hml s ARG 171 Ca 0.53 2.00 0.04 0.00 -0.52 0.00 0.00 55.73 57.78 2hml s ARG 171 Cb -0.22 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.83 2hml s ARG 171 CO 0.25 -0.47 -0.12 0.15 0.02 0.00 0.00 175.30 175.13 2hml s LYS 172 N 1.60 0.79 -0.04 3.54 1.02 -0.30 -4.79 119.74 121.57 2hml s LYS 172 Ca 0.64 -0.98 -0.30 0.00 0.02 0.00 0.00 55.97 55.35 2hml s LYS 172 Cb -0.34 -0.68 -0.06 0.00 -0.52 0.00 0.00 37.83 36.23 2hml s LYS 172 CO 0.29 0.14 1.69 -1.17 -0.92 0.00 0.00 175.35 175.38 2hml s LEU 173 N -1.90 4.34 -0.01 3.17 2.96 0.11 -0.66 118.68 126.69 2hml s LEU 173 Ca -0.01 2.30 0.13 0.00 -0.22 0.00 0.00 54.13 56.33 2hml s LEU 173 Cb -0.08 -3.53 -0.18 0.00 0.50 0.00 0.00 46.19 42.89 2hml s LEU 173 CO 0.02 -0.94 0.36 1.33 -1.32 0.00 0.00 176.35 175.79 2hml n VAL 174 N 5.45 0.00 -3.67 1.68 0.24 0.52 -0.63 118.33 121.92 2hml n VAL 174 Ca 0.17 -0.27 -0.10 0.00 -2.04 0.00 0.00 64.34 62.11 2hml n VAL 174 Cb 0.42 0.45 -0.09 0.00 -1.47 0.00 0.00 33.84 33.16 2hml n VAL 174 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2hml s GLN 175 N -2.67 0.60 -0.07 7.34 0.74 -0.92 -1.61 119.66 123.08 2hml s GLN 175 Ca -0.02 0.96 0.04 0.00 0.05 0.00 0.00 55.36 56.40 2hml s GLN 175 Cb 0.09 0.14 -0.00 0.00 1.10 0.00 0.00 33.01 34.33 2hml s GLN 175 CO 0.53 -0.13 -0.21 0.50 -0.55 0.00 0.00 175.29 175.42 2hml s ARG 176 N 1.18 2.45 -0.10 1.67 3.52 -0.29 -0.49 118.95 126.89 2hml s ARG 176 Ca -0.07 -0.76 0.01 0.00 -0.13 0.00 0.00 55.73 54.78 2hml s ARG 176 Cb -0.06 -1.98 0.02 0.00 -1.56 0.00 0.00 34.95 31.37 2hml s ARG 176 CO -0.12 0.23 -0.13 0.12 -0.81 0.00 0.00 175.30 174.59 2hml s PHE 177 N 0.18 1.72 -0.07 5.12 5.36 0.07 -1.26 117.98 129.10 2hml s PHE 177 Ca -0.11 -0.77 0.03 0.00 -0.96 0.00 0.00 56.93 55.12 2hml s PHE 177 Cb -0.15 -1.27 0.01 0.00 -0.34 0.00 0.00 43.02 41.26 2hml s PHE 177 CO 0.05 -0.42 -0.14 0.08 -1.46 0.00 0.00 175.22 173.33 2hml s VAL 178 N 1.02 1.26 -0.52 3.12 1.01 -0.29 -1.34 120.40 124.66 2hml s VAL 178 Ca -0.07 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2hml s VAL 178 Cb -0.15 -1.13 0.12 0.00 0.00 0.00 0.00 36.38 35.22 2hml s VAL 178 CO -0.01 0.38 0.46 -0.62 0.00 0.00 0.00 175.10 175.30 2hml s ASP 179 N 0.60 6.10 0.11 3.32 -1.08 -1.26 -0.35 116.67 124.10 2hml s ASP 179 Ca -0.15 -1.72 -0.31 0.00 -0.52 0.00 0.00 52.55 49.85 2hml s ASP 179 Cb -0.16 -2.17 -0.08 0.00 -1.46 0.00 0.00 42.92 39.05 2hml s ASP 179 CO 0.04 -0.79 1.49 -0.47 0.52 0.00 0.00 175.17 175.96 2hml s TYR 180 N 1.57 3.00 0.19 -5.34 5.04 -0.16 -4.84 117.35 116.81 2hml s TYR 180 Ca 0.04 0.72 0.23 0.00 -2.44 0.00 0.00 57.07 55.62 2hml s TYR 180 Cb -0.28 -3.81 0.94 0.00 0.35 0.00 0.00 41.96 39.16 2hml s TYR 180 CO 0.03 -2.97 1.84 -1.00 -1.34 0.00 0.00 175.55 172.11 2hml h PRO 181 N 7.20 0.00 -5.12 4.97 0.13 -1.90 -3.43 132.00 133.85 2hml h PRO 181 Ca -0.42 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.09 2hml h PRO 181 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2hml h PRO 181 CO 0.90 0.25 -0.51 -1.21 -0.23 0.00 0.00 178.00 177.20 2hml s GLU 182 N -3.74 4.08 0.03 0.86 2.02 -1.26 -5.00 118.70 115.69 2hml s GLU 182 Ca -0.00 -0.27 -0.19 0.00 0.02 0.00 0.00 54.97 54.53 2hml s GLU 182 Cb 0.11 -3.51 -0.20 0.00 0.10 0.00 0.00 34.13 30.64 2hml s GLU 182 CO 0.64 0.10 1.19 -0.09 0.02 0.00 0.00 175.26 177.12 2hml h ARG 183 N 7.36 0.45 -4.78 1.61 9.65 -1.92 -3.41 114.38 123.34 2hml h ARG 183 Ca -0.38 -0.40 -0.68 0.00 -1.10 0.00 0.00 59.98 57.42 2hml h ARG 183 Cb 1.17 0.09 -0.23 0.00 -1.39 0.00 0.00 29.97 29.60 2hml h ARG 183 CO 0.67 1.04 -0.57 0.42 2.80 0.00 0.00 179.97 184.33 2hml s ILE 184 N -3.55 4.45 0.28 1.20 1.01 -1.26 -5.01 121.20 118.32 2hml s ILE 184 Ca -0.13 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 2hml s ILE 184 Cb 0.05 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 39.14 2hml s ILE 184 CO 0.81 0.06 1.16 -0.76 0.00 0.00 0.00 174.94 176.21 2hml s LEU 185 N 1.59 4.51 -0.25 2.97 1.43 -1.26 -4.93 118.68 122.74 2hml s LEU 185 Ca 0.04 2.35 0.09 0.00 -1.03 0.00 0.00 54.13 55.59 2hml s LEU 185 Cb -0.17 -3.63 0.44 0.00 0.03 0.00 0.00 46.19 42.86 2hml s LEU 185 CO 0.05 -0.25 1.22 0.00 0.23 0.00 0.00 176.35 177.60 2hml n GLN 186 N 1.27 2.52 -0.56 1.70 1.13 -1.26 -4.69 117.38 117.49 2hml n GLN 186 Ca -0.00 -3.70 0.06 0.00 -1.94 0.00 0.00 57.00 51.42 2hml n GLN 186 Cb 0.44 -1.93 0.11 0.00 0.11 0.00 0.00 30.24 28.97 2hml n GLN 186 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2hml n THR 187 N -0.93 1.22 0.00 5.09 -2.24 -1.26 -4.98 114.28 111.18 2hml n THR 187 Ca 0.31 -1.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.29 2hml n THR 187 Cb 0.82 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2hml n THR 187 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2hml n HIS 188 N -0.70 0.00 -3.89 4.78 8.25 -1.26 -4.75 115.22 117.66 2hml n HIS 188 Ca 0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.54 2hml n HIS 188 Cb 0.76 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.89 2hml n HIS 188 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2hml s ASN 189 N 0.00 0.02 -0.36 0.41 2.20 -1.26 -5.04 114.94 110.91 2hml s ASN 189 Ca 0.00 -0.74 0.06 0.00 -0.94 0.00 0.00 52.86 51.24 2hml s ASN 189 Cb 0.00 0.54 0.46 0.00 -2.00 0.00 0.00 41.25 40.25 2hml s ASN 189 CO 0.00 -1.07 1.40 -0.11 -2.94 0.00 0.00 177.10 174.37 2hml n LEU 190 N -0.70 5.18 -2.85 3.54 0.00 -1.26 -4.91 117.00 116.00 2hml n LEU 190 Ca -0.03 -4.46 -0.30 0.00 0.00 0.00 0.00 56.01 51.22 2hml n LEU 190 Cb 0.59 -0.52 -0.07 0.00 0.00 0.00 0.00 43.42 43.42 2hml n LEU 190 CO 0.22 1.81 2.61 0.23 0.00 0.00 0.00 177.39 182.26 2hml n MET 191 N -0.84 3.17 -4.02 1.96 2.81 -1.26 -4.78 117.12 114.15 2hml n MET 191 Ca 0.44 -1.96 -0.12 0.00 -1.81 0.00 0.00 57.70 54.25 2hml n MET 191 Cb 0.90 -2.48 -0.12 0.00 -0.71 0.00 0.00 33.22 30.81 2hml n MET 191 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2hml s VAL 192 N 1.13 0.29 -0.58 2.03 -7.23 -1.26 -5.10 120.40 109.68 2hml s VAL 192 Ca 0.67 -0.72 -0.24 0.00 -1.81 0.00 0.00 61.98 59.87 2hml s VAL 192 Cb 0.24 -0.36 0.04 0.00 0.56 0.00 0.00 36.38 36.87 2hml s VAL 192 CO -0.06 -0.28 0.99 -0.36 -0.31 0.00 0.00 175.10 175.08 2hml s PHE 193 N -0.99 2.73 -2.00 2.82 0.08 -1.26 -5.16 117.98 114.20 2hml s PHE 193 Ca -0.08 -0.05 0.21 0.00 0.12 0.00 0.00 56.93 57.13 2hml s PHE 193 Cb -0.07 -4.18 1.25 0.00 -0.57 0.00 0.00 43.02 39.45 2hml s PHE 193 CO -0.00 -1.46 1.63 1.28 -0.10 0.00 0.00 175.22 176.57