#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbi h VAL 3 N 0.00 1.12 -0.45 2.46 3.04 -1.88 -0.73 116.25 119.81 1hbi h VAL 3 Ca 0.00 -0.31 -0.02 0.00 -1.01 0.00 0.00 66.70 65.36 1hbi h VAL 3 Cb 0.00 0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 29.38 1hbi h VAL 3 CO 0.00 0.17 0.20 1.88 -1.01 0.00 0.00 177.57 178.81 1hbi h TYR 4 N 0.92 0.66 -0.37 3.17 0.05 -1.97 0.14 116.97 119.56 1hbi h TYR 4 Ca 0.30 -0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.95 1hbi h TYR 4 Cb 0.04 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1hbi h TYR 4 CO -0.00 0.55 -0.13 -0.44 -1.05 0.00 0.00 178.16 177.08 1hbi h ASP 5 N 0.58 0.65 -0.41 3.88 3.32 -1.86 -2.08 116.42 120.51 1hbi h ASP 5 Ca 0.15 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1hbi h ASP 5 Cb 0.14 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1hbi h ASP 5 CO -0.02 0.81 0.09 0.00 -1.72 0.00 0.00 179.24 178.40 1hbi h ALA 6 N 1.25 0.54 -0.81 3.45 0.00 -0.67 -2.40 119.26 120.61 1hbi h ALA 6 Ca 0.10 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1hbi h ALA 6 Cb 0.58 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1hbi h ALA 6 CO 0.04 0.23 0.53 0.00 0.00 0.00 0.00 179.25 180.05 1hbi h ALA 7 N 0.95 1.79 0.00 0.00 0.00 -0.61 -2.02 119.26 119.36 1hbi h ALA 7 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hbi h ALA 7 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1hbi h ALA 7 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1hbi h ALA 8 N 1.60 1.00 0.00 0.00 0.00 -0.84 -2.05 119.26 118.97 1hbi h ALA 8 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1hbi h ALA 8 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1hbi h ALA 8 CO -0.15 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.14 1hbi n GLN 9 N -2.64 0.00 -2.84 0.00 1.13 -0.76 -4.40 117.38 107.87 1hbi n GLN 9 Ca 0.00 0.05 -0.43 0.00 -1.94 0.00 0.00 57.00 54.68 1hbi n GLN 9 Cb 0.20 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.04 1hbi n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1hbi s LEU 10 N -3.00 4.69 0.98 1.08 1.43 -0.77 -4.94 118.68 118.15 1hbi s LEU 10 Ca 0.13 -2.30 -0.15 0.00 -1.03 0.00 0.00 54.13 50.77 1hbi s LEU 10 Cb 0.17 -2.44 0.19 0.00 0.03 0.00 0.00 46.19 44.13 1hbi s LEU 10 CO 0.48 -1.04 1.23 0.42 0.23 0.00 0.00 176.35 177.66 1hbi s THR 11 N 2.84 1.92 0.17 5.49 -4.23 -1.26 -4.74 115.64 115.82 1hbi s THR 11 Ca 0.40 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.73 1hbi s THR 11 Cb -0.02 -2.86 0.09 0.00 1.34 0.00 0.00 72.50 71.05 1hbi s THR 11 CO -0.05 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 175.69 1hbi h ALA 12 N -1.71 0.21 -0.55 3.99 0.00 -1.97 0.12 119.26 119.34 1hbi h ALA 12 Ca -0.46 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1hbi h ALA 12 Cb 1.28 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1hbi h ALA 12 CO 0.46 -0.49 -0.05 -0.44 0.00 0.00 0.00 179.25 178.73 1hbi h ASP 13 N -0.04 0.98 -0.05 0.00 3.32 -1.99 -0.60 116.42 118.03 1hbi h ASP 13 Ca 0.19 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1hbi h ASP 13 Cb 0.33 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1hbi h ASP 13 CO -0.42 1.06 0.01 0.58 -1.72 0.00 0.00 179.24 178.75 1hbi h VAL 14 N 0.90 1.20 -0.74 -1.35 2.07 -1.78 -1.98 116.25 114.56 1hbi h VAL 14 Ca 0.15 -0.60 0.12 0.00 0.82 0.00 0.00 66.70 67.20 1hbi h VAL 14 Cb 0.59 1.50 -0.09 0.00 -1.52 0.00 0.00 31.29 31.78 1hbi h VAL 14 CO 0.04 0.17 0.33 0.11 0.02 0.00 0.00 177.57 178.23 1hbi h LYS 15 N -0.14 0.50 -0.32 1.57 1.57 -0.60 0.11 116.57 119.27 1hbi h LYS 15 Ca 0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1hbi h LYS 15 Cb 0.25 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1hbi h LYS 15 CO 0.00 0.33 0.16 -0.22 -0.57 0.00 0.00 179.45 179.16 1hbi h LYS 16 N 0.52 0.45 -0.43 3.15 1.63 -1.00 -1.56 116.57 119.33 1hbi h LYS 16 Ca 0.39 -0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 60.01 1hbi h LYS 16 Cb 0.53 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1hbi h LYS 16 CO -0.35 0.40 -0.23 -0.44 -3.45 0.00 0.00 179.45 175.38 1hbi h ASP 17 N 0.38 0.89 -0.14 4.20 3.32 -0.61 -0.91 116.42 123.55 1hbi h ASP 17 Ca 0.11 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 56.86 1hbi h ASP 17 Cb 0.09 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1hbi h ASP 17 CO -0.02 1.08 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.48 1hbi h LEU 18 N 0.75 -0.12 -0.24 1.55 3.38 -0.62 -2.29 115.31 117.72 1hbi h LEU 18 Ca 0.10 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1hbi h LEU 18 Cb 0.77 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1hbi h LEU 18 CO 0.06 -0.04 0.15 0.03 0.09 0.00 0.00 178.44 178.73 1hbi h ARG 19 N 0.00 0.30 -0.49 1.13 3.08 -0.98 -0.95 114.38 116.47 1hbi h ARG 19 Ca 0.07 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1hbi h ARG 19 Cb 0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1hbi h ARG 19 CO -0.14 0.20 0.32 -0.44 -1.07 0.00 0.00 179.97 178.84 1hbi h ASP 20 N 0.31 0.55 -0.17 7.04 3.32 -1.16 -1.76 116.42 124.54 1hbi h ASP 20 Ca 0.09 -0.01 -0.21 0.00 0.02 0.00 0.00 57.03 56.92 1hbi h ASP 20 Cb -0.02 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.40 1hbi h ASP 20 CO -0.03 0.39 -0.71 0.77 -1.72 0.00 0.00 179.24 177.95 1hbi h SER 21 N 0.65 0.94 -0.71 6.45 4.64 -1.38 -3.13 113.55 121.01 1hbi h SER 21 Ca 0.18 -0.58 0.05 0.00 -0.47 0.00 0.00 61.79 60.97 1hbi h SER 21 Cb -0.06 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 61.71 1hbi h SER 21 CO -0.05 1.38 0.46 -0.25 -0.87 0.00 0.00 176.83 177.51 1hbi h TRP 22 N 0.57 0.79 -0.82 4.77 2.91 -0.99 -1.41 115.95 121.78 1hbi h TRP 22 Ca -0.03 0.02 0.15 0.00 1.13 0.00 0.00 58.89 60.16 1hbi h TRP 22 Cb 1.33 -0.26 -0.06 0.00 -0.51 0.00 0.00 29.16 29.66 1hbi h TRP 22 CO 0.08 0.44 0.54 -0.22 -1.03 0.00 0.00 178.44 178.25 1hbi h LYS 23 N 0.80 0.52 0.00 2.65 3.64 -1.26 0.51 116.57 123.43 1hbi h LYS 23 Ca 0.29 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1hbi h LYS 23 Cb 0.14 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1hbi h LYS 23 CO -0.09 0.34 -0.24 0.28 -2.27 0.00 0.00 179.45 177.48 1hbi h VAL 24 N 0.53 0.31 -0.75 2.00 2.07 -1.41 -3.32 116.25 115.68 1hbi h VAL 24 Ca 0.41 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1hbi h VAL 24 Cb 0.81 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1hbi h VAL 24 CO -0.16 0.11 0.50 0.40 0.02 0.00 0.00 177.57 178.43 1hbi h ILE 25 N -1.00 1.18 0.00 4.57 1.08 -1.17 -2.42 117.51 119.75 1hbi h ILE 25 Ca -0.03 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1hbi h ILE 25 Cb 0.38 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 1hbi h ILE 25 CO -0.02 0.18 0.00 0.61 -0.69 0.00 0.00 178.15 178.24 1hbi n GLY 26 N -1.31 -1.01 0.08 5.37 0.00 0.18 -2.81 105.19 105.70 1hbi n GLY 26 Ca 0.07 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1hbi n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hbi n SER 27 N -1.22 0.61 -3.56 1.61 3.41 -0.91 -4.13 113.62 109.43 1hbi n SER 27 Ca 0.13 0.56 -0.28 0.00 -0.26 0.00 0.00 58.87 59.02 1hbi n SER 27 Cb 0.17 -0.72 -0.11 0.00 -0.26 0.00 0.00 64.21 63.28 1hbi n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1hbi s ASP 28 N -4.15 2.68 0.13 4.04 2.15 -1.12 -4.98 116.67 115.41 1hbi s ASP 28 Ca 0.11 -3.09 -0.12 0.00 0.43 0.00 0.00 52.55 49.88 1hbi s ASP 28 Cb 0.14 -0.79 -0.05 0.00 -0.30 0.00 0.00 42.92 41.92 1hbi s ASP 28 CO 0.58 -0.18 1.47 0.11 -0.17 0.00 0.00 175.17 176.98 1hbi h LYS 29 N 5.89 0.85 0.39 4.34 1.57 -1.77 -0.66 116.57 127.17 1hbi h LYS 29 Ca 0.18 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1hbi h LYS 29 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1hbi h LYS 29 CO 0.45 1.06 -0.19 -0.22 -0.57 0.00 0.00 179.45 179.99 1hbi h LYS 30 N 0.65 -0.50 -0.24 3.15 3.64 -1.92 0.09 116.57 121.43 1hbi h LYS 30 Ca 0.07 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1hbi h LYS 30 Cb 0.87 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1hbi h LYS 30 CO 0.08 -0.29 -0.04 0.78 -2.27 0.00 0.00 179.45 177.71 1hbi h GLY 31 N -0.58 0.49 1.24 5.01 0.00 -1.97 -1.81 103.07 105.44 1hbi h GLY 31 Ca -0.05 -0.39 -0.21 0.00 0.00 0.00 0.00 47.33 46.68 1hbi h GLY 31 CO 0.09 0.35 -0.75 3.43 0.00 0.00 0.00 176.54 179.66 1hbi h ASN 32 N 0.20 0.88 -0.01 0.19 2.35 -1.18 -1.65 115.58 116.37 1hbi h ASN 32 Ca 0.06 -0.57 -0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1hbi h ASN 32 Cb 0.48 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1hbi h ASN 32 CO 0.02 1.36 0.00 1.23 -1.65 0.00 0.00 177.43 178.39 1hbi h GLY 33 N 0.68 0.01 1.00 2.83 0.00 -1.01 -0.40 103.07 106.18 1hbi h GLY 33 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1hbi h GLY 33 CO 0.15 0.01 0.33 -2.08 0.00 0.00 0.00 176.54 174.95 1hbi h VAL 34 N -0.08 1.15 -0.29 4.60 2.07 -1.31 -2.39 116.25 119.99 1hbi h VAL 34 Ca 0.00 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1hbi h VAL 34 Cb 0.10 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1hbi h VAL 34 CO -0.00 0.15 0.14 0.00 0.02 0.00 0.00 177.57 177.88 1hbi h ALA 35 N 1.17 0.35 -0.16 1.67 0.00 -1.18 -0.72 119.26 120.39 1hbi h ALA 35 Ca 0.19 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1hbi h ALA 35 Cb -0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1hbi h ALA 35 CO -0.04 -0.24 -0.31 -0.07 0.00 0.00 0.00 179.25 178.58 1hbi h LEU 36 N 0.30 -0.98 -0.41 0.00 3.38 -0.87 -0.61 115.31 116.12 1hbi h LEU 36 Ca 0.12 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1hbi h LEU 36 Cb 0.04 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1hbi h LEU 36 CO -0.08 -0.35 0.21 0.24 0.09 0.00 0.00 178.44 178.55 1hbi h MET 37 N -0.37 0.58 -0.13 1.13 2.86 -1.19 -0.81 114.93 116.99 1hbi h MET 37 Ca 0.10 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1hbi h MET 37 Cb 0.54 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1hbi h MET 37 CO -0.37 0.48 -0.40 1.79 1.06 0.00 0.00 176.91 179.47 1hbi h THR 38 N 0.52 1.31 -0.46 2.22 1.35 -1.01 -1.30 112.91 115.53 1hbi h THR 38 Ca 0.14 -1.51 -0.08 0.00 -0.55 0.00 0.00 66.41 64.41 1hbi h THR 38 Cb 0.09 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 1hbi h THR 38 CO -0.02 0.45 -0.04 0.74 -0.25 0.00 0.00 175.52 176.40 1hbi h THR 39 N 0.24 1.27 -0.38 6.82 2.02 -0.89 -0.99 112.91 120.99 1hbi h THR 39 Ca 0.02 -1.13 0.07 0.00 0.77 0.00 0.00 66.41 66.15 1hbi h THR 39 Cb 0.82 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 68.22 1hbi h THR 39 CO 0.06 0.39 -0.01 0.25 0.37 0.00 0.00 175.52 176.58 1hbi h LEU 40 N 0.69 -0.19 -0.88 2.58 5.85 -0.40 -1.25 115.31 121.71 1hbi h LEU 40 Ca 0.13 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 1hbi h LEU 40 Cb 0.56 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1hbi h LEU 40 CO 0.03 -0.06 -0.21 -0.26 -0.34 0.00 0.00 178.44 177.60 1hbi h PHE 41 N 0.09 0.65 0.10 1.25 0.04 -1.00 0.34 116.94 118.41 1hbi h PHE 41 Ca 0.19 -0.13 -0.27 0.00 2.80 0.00 0.00 57.97 60.55 1hbi h PHE 41 Cb 0.27 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.27 1hbi h PHE 41 CO -0.27 0.75 -1.18 0.00 -0.60 0.00 0.00 178.31 177.01 1hbi h ALA 42 N 1.25 0.12 0.00 2.45 0.00 -0.94 -3.07 119.26 119.08 1hbi h ALA 42 Ca 0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 1hbi h ALA 42 Cb 0.65 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1hbi h ALA 42 CO 0.05 0.83 -1.32 -0.25 0.00 0.00 0.00 179.25 178.56 1hbi n ASP 43 N -3.67 0.64 -3.20 0.00 8.00 -0.49 -4.47 116.55 113.36 1hbi n ASP 43 Ca -0.10 0.26 -0.23 0.00 0.71 0.00 0.00 54.79 55.43 1hbi n ASP 43 Cb 0.97 0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 42.77 1hbi n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1hbi n ASN 44 N -2.62 1.16 -0.31 -2.24 4.13 0.12 -4.95 115.26 110.55 1hbi n ASN 44 Ca -0.03 -2.97 0.32 0.00 1.68 0.00 0.00 54.58 53.58 1hbi n ASN 44 Cb 0.61 -0.63 0.69 0.00 -1.54 0.00 0.00 39.78 38.92 1hbi n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1hbi h GLN 45 N 3.60 0.09 0.00 3.52 4.20 -1.72 -0.81 115.11 123.99 1hbi h GLN 45 Ca 0.10 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1hbi h GLN 45 Cb 0.85 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1hbi h GLN 45 CO 0.55 0.06 0.00 -0.85 -0.67 0.00 0.00 178.83 177.92 1hbi n GLU 46 N -4.30 0.40 0.01 1.46 0.00 -1.26 -2.66 120.64 114.29 1hbi n GLU 46 Ca 0.25 0.07 0.11 0.00 0.00 0.00 0.00 57.16 57.59 1hbi n GLU 46 Cb 1.14 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 31.06 1hbi n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1hbi n THR 47 N -1.19 0.05 -0.07 3.84 -2.24 -0.31 -4.53 114.28 109.83 1hbi n THR 47 Ca 0.11 -0.13 0.11 0.00 -2.27 0.00 0.00 64.05 61.88 1hbi n THR 47 Cb 0.13 0.54 0.49 0.00 -2.10 0.00 0.00 70.33 69.39 1hbi n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1hbi h ILE 48 N 0.00 0.93 0.00 2.28 2.04 -1.68 -2.21 117.51 118.86 1hbi h ILE 48 Ca 0.00 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1hbi h ILE 48 Cb 0.62 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1hbi h ILE 48 CO 0.00 0.08 -0.13 1.23 0.00 0.00 0.00 178.15 179.32 1hbi h GLY 49 N 0.43 0.00 2.00 5.37 0.00 -1.82 -1.11 103.07 107.94 1hbi h GLY 49 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1hbi h GLY 49 CO -0.07 0.00 -0.08 -0.97 0.00 0.00 0.00 176.54 175.42 1hbi h TYR 50 N 0.00 0.00 -0.66 5.60 0.05 -1.72 -3.13 116.97 117.11 1hbi h TYR 50 Ca -0.00 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.48 1hbi h TYR 50 Cb 0.29 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 37.85 1hbi h TYR 50 CO 0.00 0.08 0.27 1.19 -1.05 0.00 0.00 178.16 178.64 1hbi n PHE 51 N -3.54 2.08 -0.29 4.88 3.01 -0.42 -4.66 117.46 118.52 1hbi n PHE 51 Ca -0.02 -1.55 0.21 0.00 1.01 0.00 0.00 57.45 57.10 1hbi n PHE 51 Cb 0.20 -0.68 0.51 0.00 -0.01 0.00 0.00 39.48 39.50 1hbi n PHE 51 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1hbi h LYS 52 N 1.42 0.39 0.00 -1.08 6.56 -1.65 -1.35 116.57 120.86 1hbi h LYS 52 Ca 0.36 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.93 1hbi h LYS 52 Cb 2.22 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 33.80 1hbi h LYS 52 CO 0.71 0.26 -0.01 -0.09 -2.06 0.00 0.00 179.45 178.25 1hbi h ARG 53 N 0.40 0.00 0.00 3.15 2.43 -1.91 -2.20 114.38 116.25 1hbi h ARG 53 Ca 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1hbi h ARG 53 Cb 1.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1hbi h ARG 53 CO -0.23 0.01 0.00 1.28 -1.51 0.00 0.00 179.97 179.52 1hbi n LEU 54 N -4.40 0.43 0.00 3.80 4.77 -0.51 -5.02 117.00 116.07 1hbi n LEU 54 Ca -0.03 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1hbi n LEU 54 Cb 0.10 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1hbi n LEU 54 CO 0.33 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1hbi n GLY 55 N 0.74 0.45 3.53 -0.72 0.00 -0.83 -4.50 105.19 103.86 1hbi n GLY 55 Ca 0.05 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1hbi n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hbi s ASN 56 N -4.00 6.37 0.20 1.61 2.47 -1.26 -4.85 114.94 115.48 1hbi s ASN 56 Ca 0.00 -1.16 0.22 0.00 0.42 0.00 0.00 52.86 52.34 1hbi s ASN 56 Cb 0.00 -2.52 0.91 0.00 -1.45 0.00 0.00 41.25 38.19 1hbi s ASN 56 CO 0.00 -1.54 1.67 1.33 -3.72 0.00 0.00 177.10 174.84 1hbi n VAL 57 N 6.41 0.83 0.49 -5.21 0.24 -1.26 -1.65 118.33 118.17 1hbi n VAL 57 Ca 0.17 0.20 0.13 0.00 -2.04 0.00 0.00 64.34 62.80 1hbi n VAL 57 Cb 0.49 -1.08 0.44 0.00 -1.47 0.00 0.00 33.84 32.22 1hbi n VAL 57 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1hbi h SER 58 N 0.00 0.00 0.60 -1.34 4.64 -1.99 -2.49 113.55 112.98 1hbi h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hbi h SER 58 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1hbi h SER 58 CO 0.00 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.52 1hbi h GLN 59 N 0.00 0.00 0.00 4.77 4.20 -1.74 -3.48 115.11 118.87 1hbi h GLN 59 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1hbi h GLN 59 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1hbi h GLN 59 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1hbi n GLY 60 N -0.40 3.65 0.30 3.46 0.00 -0.94 -2.77 105.19 108.49 1hbi n GLY 60 Ca -0.00 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1hbi n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1hbi h MET 61 N 0.00 0.00 0.00 1.61 1.85 -1.92 -1.61 114.93 114.87 1hbi h MET 61 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1hbi h MET 61 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1hbi h MET 61 CO 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.51 1hbi h ALA 62 N 1.91 1.00 -2.13 0.39 0.00 -1.94 -3.41 119.26 115.08 1hbi h ALA 62 Ca 0.08 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.35 1hbi h ALA 62 Cb 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.98 1hbi h ALA 62 CO -0.00 0.00 0.21 1.21 0.00 0.00 0.00 179.25 180.67 1hbi s ASN 63 N -4.84 6.35 0.23 0.00 3.84 -0.61 -4.96 114.94 114.95 1hbi s ASN 63 Ca 0.02 -0.28 -0.07 0.00 0.21 0.00 0.00 52.86 52.75 1hbi s ASN 63 Cb 0.09 -2.34 0.34 0.00 -0.55 0.00 0.00 41.25 38.79 1hbi s ASN 63 CO 0.43 -0.84 1.79 0.44 -2.79 0.00 0.00 177.10 176.13 1hbi h ASP 64 N 8.93 0.50 -0.30 -4.21 3.32 -1.86 0.04 116.42 122.83 1hbi h ASP 64 Ca -0.25 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 1hbi h ASP 64 Cb 1.09 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1hbi h ASP 64 CO 0.92 0.29 0.04 0.11 -1.72 0.00 0.00 179.24 178.88 1hbi h LYS 65 N 0.64 0.50 -0.72 3.56 1.57 -1.93 0.92 116.57 121.11 1hbi h LYS 65 Ca 0.35 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1hbi h LYS 65 Cb 0.36 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1hbi h LYS 65 CO -0.26 0.61 0.28 1.25 -0.57 0.00 0.00 179.45 180.75 1hbi h LEU 66 N 0.32 0.98 -0.19 2.94 5.85 -1.68 -0.27 115.31 123.26 1hbi h LEU 66 Ca 0.09 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1hbi h LEU 66 Cb 0.35 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1hbi h LEU 66 CO 0.01 0.88 0.02 -0.09 -0.34 0.00 0.00 178.44 178.92 1hbi h ARG 67 N 1.04 0.32 -0.61 1.25 2.43 -0.84 0.34 114.38 118.31 1hbi h ARG 67 Ca 0.24 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 59.40 1hbi h ARG 67 Cb 0.21 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 1hbi h ARG 67 CO -0.02 0.50 0.28 0.78 -1.51 0.00 0.00 179.97 180.00 1hbi h GLY 68 N 0.10 0.88 0.80 2.80 0.00 -0.62 -1.42 103.07 105.61 1hbi h GLY 68 Ca 0.06 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.23 1hbi h GLY 68 CO 0.01 0.05 -0.04 0.84 0.00 0.00 0.00 176.54 177.40 1hbi h HIS 69 N 0.51 -0.09 0.27 5.60 -0.00 -0.88 -2.70 115.15 117.85 1hbi h HIS 69 Ca 0.29 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.66 1hbi h HIS 69 Cb 0.29 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1hbi h HIS 69 CO -0.13 -0.07 -0.13 0.77 -0.00 0.00 0.00 177.93 178.38 1hbi h SER 70 N -0.04 -0.30 -0.56 3.26 0.02 -0.64 -0.95 113.55 114.35 1hbi h SER 70 Ca 0.04 -0.09 0.11 0.00 -0.84 0.00 0.00 61.79 61.01 1hbi h SER 70 Cb 0.10 0.08 -0.09 0.00 0.14 0.00 0.00 62.40 62.63 1hbi h SER 70 CO -0.09 -0.10 0.02 0.40 -1.14 0.00 0.00 176.83 175.92 1hbi h ILE 71 N -0.50 0.57 -0.61 3.27 2.04 -1.33 -2.36 117.51 118.58 1hbi h ILE 71 Ca -0.04 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1hbi h ILE 71 Cb 0.37 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1hbi h ILE 71 CO 0.06 0.03 0.20 0.74 0.00 0.00 0.00 178.15 179.18 1hbi h THR 72 N 0.14 1.23 -0.66 -0.27 2.02 -1.18 -0.97 112.91 113.23 1hbi h THR 72 Ca 0.29 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 1hbi h THR 72 Cb 0.44 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1hbi h THR 72 CO -0.45 0.30 0.25 0.25 0.37 0.00 0.00 175.52 176.23 1hbi h LEU 73 N 0.90 0.93 -1.71 2.58 6.46 -0.93 -1.84 115.31 121.70 1hbi h LEU 73 Ca 0.20 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1hbi h LEU 73 Cb 0.24 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1hbi h LEU 73 CO -0.01 0.86 -0.06 0.24 -0.62 0.00 0.00 178.44 178.85 1hbi h MET 74 N 0.94 0.10 -0.01 1.25 2.86 -0.66 -1.34 114.93 118.06 1hbi h MET 74 Ca 0.22 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.69 1hbi h MET 74 Cb 0.24 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1hbi h MET 74 CO -0.01 0.18 -0.70 1.88 1.06 0.00 0.00 176.91 179.31 1hbi h TYR 75 N 0.10 0.12 -0.51 -0.22 0.05 -0.86 -1.21 116.97 114.44 1hbi h TYR 75 Ca 0.02 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1hbi h TYR 75 Cb 0.18 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1hbi h TYR 75 CO 0.00 0.76 0.33 0.00 -1.05 0.00 0.00 178.16 178.20 1hbi h ALA 76 N 1.23 0.64 -0.30 3.88 0.00 -0.53 -1.33 119.26 122.85 1hbi h ALA 76 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1hbi h ALA 76 Cb 1.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1hbi h ALA 76 CO 0.10 0.09 0.16 -0.07 0.00 0.00 0.00 179.25 179.53 1hbi h LEU 77 N 0.68 0.38 -0.59 0.00 3.38 -1.25 -2.22 115.31 115.70 1hbi h LEU 77 Ca 0.18 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1hbi h LEU 77 Cb -0.07 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 40.47 1hbi h LEU 77 CO -0.04 0.36 -0.29 -0.61 0.09 0.00 0.00 178.44 177.95 1hbi h GLN 78 N 0.36 -0.13 -0.22 1.13 5.75 -1.14 -1.01 115.11 119.85 1hbi h GLN 78 Ca 0.10 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.67 1hbi h GLN 78 Cb 0.07 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.57 1hbi h GLN 78 CO -0.02 -0.08 -0.33 -0.97 -2.65 0.00 0.00 178.83 174.78 1hbi h ASN 79 N -0.13 -1.05 -0.32 -0.69 -0.73 -0.87 -0.62 115.58 111.16 1hbi h ASN 79 Ca 0.25 0.16 0.05 0.00 1.87 0.00 0.00 56.30 58.63 1hbi h ASN 79 Cb 0.53 0.46 -0.05 0.00 0.27 0.00 0.00 38.32 39.54 1hbi h ASN 79 CO -0.66 -0.35 0.04 -0.26 -0.37 0.00 0.00 177.43 175.82 1hbi h PHE 80 N -0.35 0.05 -0.73 0.67 0.04 -0.90 -1.62 116.94 114.09 1hbi h PHE 80 Ca 0.12 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.95 1hbi h PHE 80 Cb 0.55 0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.67 1hbi h PHE 80 CO -0.46 -0.01 0.45 0.82 -0.60 0.00 0.00 178.31 178.51 1hbi h ILE 81 N 0.14 1.06 0.00 -0.55 1.08 -0.68 -1.38 117.51 117.18 1hbi h ILE 81 Ca 0.15 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.30 1hbi h ILE 81 Cb 0.19 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.06 1hbi h ILE 81 CO -0.23 0.16 -0.12 0.44 -0.69 0.00 0.00 178.15 177.71 1hbi h ASP 82 N 0.86 0.00 0.12 1.72 3.32 -0.23 -2.72 116.42 119.49 1hbi h ASP 82 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1hbi h ASP 82 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1hbi h ASP 82 CO -0.14 0.12 -0.13 0.00 -1.72 0.00 0.00 179.24 177.38 1hbi n GLN 83 N -3.30 1.23 0.11 3.56 1.13 -0.54 -4.49 117.38 115.08 1hbi n GLN 83 Ca 0.00 -0.71 0.11 0.00 -1.94 0.00 0.00 57.00 54.46 1hbi n GLN 83 Cb 0.35 -1.49 0.60 0.00 0.11 0.00 0.00 30.24 29.82 1hbi n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1hbi h LEU 84 N 1.74 0.13 -1.55 1.08 3.38 -1.22 -1.87 115.31 116.98 1hbi h LEU 84 Ca 0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1hbi h LEU 84 Cb 0.50 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1hbi h LEU 84 CO 0.00 0.09 0.31 0.44 0.09 0.00 0.00 178.44 179.36 1hbi h ASP 85 N 0.15 0.52 -3.71 -0.43 3.32 -1.84 -3.40 116.42 111.02 1hbi h ASP 85 Ca 0.12 -0.01 -0.64 0.00 0.02 0.00 0.00 57.03 56.53 1hbi h ASP 85 Cb 0.31 -0.13 -0.38 0.00 0.22 0.00 0.00 39.33 39.35 1hbi h ASP 85 CO -0.02 0.38 -0.78 0.21 -1.72 0.00 0.00 179.24 177.30 1hbi s ASN 86 N -6.63 4.16 0.30 6.45 3.84 -0.70 -5.03 114.94 117.34 1hbi s ASN 86 Ca -0.09 -1.37 -0.01 0.00 0.21 0.00 0.00 52.86 51.61 1hbi s ASN 86 Cb 0.18 -1.35 0.47 0.00 -0.55 0.00 0.00 41.25 40.00 1hbi s ASN 86 CO 0.74 -0.24 1.93 -0.65 -2.79 0.00 0.00 177.10 176.09 1hbi h PRO 87 N 7.86 0.95 0.00 0.43 0.11 -1.79 -0.07 132.00 139.49 1hbi h PRO 87 Ca -0.17 -0.10 -0.09 0.00 0.11 0.00 0.00 66.00 65.75 1hbi h PRO 87 Cb 1.05 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1hbi h PRO 87 CO 0.44 0.70 -0.44 -0.44 -0.21 0.00 0.00 178.00 178.05 1hbi h ASP 88 N 0.96 0.00 0.04 -2.05 3.32 -1.96 -1.37 116.42 115.37 1hbi h ASP 88 Ca 0.25 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 1hbi h ASP 88 Cb 0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1hbi h ASP 88 CO -0.04 0.44 -0.43 0.44 -1.72 0.00 0.00 179.24 177.93 1hbi h ASP 89 N 0.00 0.32 -0.65 6.45 3.32 -1.72 -2.62 116.42 121.52 1hbi h ASP 89 Ca -0.00 -0.85 0.06 0.00 0.02 0.00 0.00 57.03 56.25 1hbi h ASP 89 Cb 0.79 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 1hbi h ASP 89 CO 0.06 1.14 0.36 0.25 -1.72 0.00 0.00 179.24 179.33 1hbi h LEU 90 N -0.46 0.54 -0.36 1.55 5.85 -0.98 -2.34 115.31 119.10 1hbi h LEU 90 Ca -0.06 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1hbi h LEU 90 Cb 1.24 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1hbi h LEU 90 CO 0.08 0.35 0.21 0.58 -0.34 0.00 0.00 178.44 179.32 1hbi h VAL 91 N 0.67 1.13 -0.53 1.05 2.07 -1.30 -0.24 116.25 119.09 1hbi h VAL 91 Ca 0.29 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1hbi h VAL 91 Cb 0.17 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1hbi h VAL 91 CO -0.18 0.13 0.20 0.00 0.02 0.00 0.00 177.57 177.74 1hbi h VAL 93 N 0.77 1.30 -0.08 0.00 -1.51 -1.02 -2.41 116.25 113.30 1hbi h VAL 93 Ca 0.18 -1.81 0.04 0.00 -1.23 0.00 0.00 66.70 63.88 1hbi h VAL 93 Cb 0.17 1.92 -0.05 0.00 -2.13 0.00 0.00 31.29 31.20 1hbi h VAL 93 CO -0.02 0.57 -0.24 0.58 -1.23 0.00 0.00 177.57 177.24 1hbi h VAL 94 N 0.44 0.43 -0.91 7.19 2.07 -0.80 -1.90 116.25 122.77 1hbi h VAL 94 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1hbi h VAL 94 Cb 1.21 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1hbi h VAL 94 CO 0.13 0.00 0.59 -0.33 0.02 0.00 0.00 177.57 177.98 1hbi h GLU 95 N -0.33 1.01 -0.04 1.57 5.08 -0.95 0.67 114.58 121.58 1hbi h GLU 95 Ca 0.09 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1hbi h GLU 95 Cb 0.46 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1hbi h GLU 95 CO -0.27 0.67 0.02 -0.22 -1.00 0.00 0.00 179.01 178.21 1hbi h LYS 96 N 1.04 0.05 -0.02 2.33 3.11 -1.07 -1.89 116.57 120.13 1hbi h LYS 96 Ca 0.39 -0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 58.11 1hbi h LYS 96 Cb 0.19 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.40 1hbi h LYS 96 CO -0.15 0.09 -0.54 0.74 -2.81 0.00 0.00 179.45 176.78 1hbi h PHE 97 N 0.01 0.06 -0.34 1.91 0.04 -0.91 -2.88 116.94 114.84 1hbi h PHE 97 Ca 0.01 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1hbi h PHE 97 Cb 0.05 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 1hbi h PHE 97 CO -0.06 0.58 0.15 0.00 -0.60 0.00 0.00 178.31 178.38 1hbi h ALA 98 N 1.42 0.41 -0.90 2.45 0.00 -0.65 -1.74 119.26 120.25 1hbi h ALA 98 Ca -0.00 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.08 1hbi h ALA 98 Cb 0.97 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1hbi h ALA 98 CO 0.07 -0.23 0.51 0.28 0.00 0.00 0.00 179.25 179.87 1hbi h VAL 99 N 0.31 0.76 0.00 0.00 2.07 -1.12 0.29 116.25 118.57 1hbi h VAL 99 Ca 0.15 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1hbi h VAL 99 Cb 0.08 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1hbi h VAL 99 CO -0.12 0.13 -0.12 0.78 0.02 0.00 0.00 177.57 178.26 1hbi h ASN 100 N 0.72 0.00 0.20 0.57 -0.26 -1.28 -2.08 115.58 113.45 1hbi h ASN 100 Ca 0.49 0.00 -0.35 0.00 -0.56 0.00 0.00 56.30 55.88 1hbi h ASN 100 Cb 0.66 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.88 1hbi h ASN 100 CO -0.35 0.12 -2.06 1.41 -1.06 0.00 0.00 177.43 175.50 1hbi n HIS 101 N -4.06 0.74 -0.38 1.19 8.25 -0.13 -3.81 115.22 117.03 1hbi n HIS 101 Ca -0.02 0.21 -0.02 0.00 -0.26 0.00 0.00 57.72 57.62 1hbi n HIS 101 Cb 0.21 -1.11 0.11 0.00 1.12 0.00 0.00 29.99 30.31 1hbi n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1hbi h ILE 102 N 0.02 1.25 0.00 1.59 2.04 -0.20 -0.38 117.51 121.84 1hbi h ILE 102 Ca -0.43 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1hbi h ILE 102 Cb 2.04 -0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1hbi h ILE 102 CO 0.04 0.25 -0.03 0.71 0.00 0.00 0.00 178.15 179.13 1hbi h THR 103 N 1.36 0.07 -0.65 -0.27 1.35 -1.54 -2.20 112.91 111.03 1hbi h THR 103 Ca 0.37 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1hbi h THR 103 Cb -0.15 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1hbi h THR 103 CO -0.08 0.03 0.00 0.54 -0.25 0.00 0.00 175.52 175.75 1hbi n ARG 104 N -3.13 2.97 -2.94 4.72 3.00 -0.59 -4.95 116.66 115.73 1hbi n ARG 104 Ca 0.01 -2.54 -0.18 0.00 -0.01 0.00 0.00 57.85 55.13 1hbi n ARG 104 Cb 0.32 -1.66 0.03 0.00 0.00 0.00 0.00 32.46 31.16 1hbi n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1hbi n LYS 105 N 1.32 -4.31 -3.27 5.56 4.76 -0.82 -5.00 118.16 116.39 1hbi n LYS 105 Ca 0.23 0.71 -0.39 0.00 -2.87 0.00 0.00 58.31 56.00 1hbi n LYS 105 Cb 0.68 -5.19 -0.07 0.00 -1.84 0.00 0.00 35.03 28.61 1hbi n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1hbi s ILE 106 N -3.08 5.13 0.57 -0.18 -1.09 -0.26 -5.03 121.20 117.26 1hbi s ILE 106 Ca 0.28 0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 59.59 1hbi s ILE 106 Cb -0.12 -3.82 0.03 0.00 -1.58 0.00 0.00 42.46 36.97 1hbi s ILE 106 CO 0.34 0.20 0.83 -0.94 -1.23 0.00 0.00 174.94 174.14 1hbi s SER 107 N 1.11 5.32 0.19 3.58 1.04 -1.26 -4.49 113.70 119.20 1hbi s SER 107 Ca 0.23 0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.82 1hbi s SER 107 Cb -0.15 -1.19 0.21 0.00 0.10 0.00 0.00 66.02 64.99 1hbi s SER 107 CO 0.09 -1.15 1.72 0.00 0.98 0.00 0.00 173.24 174.88 1hbi h ALA 108 N -0.07 0.60 -0.64 5.32 0.00 -1.86 0.16 119.26 122.76 1hbi h ALA 108 Ca -0.44 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1hbi h ALA 108 Cb 1.29 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1hbi h ALA 108 CO 0.56 -0.30 0.42 0.00 0.00 0.00 0.00 179.25 179.94 1hbi h ALA 109 N 1.40 0.81 -0.18 0.00 0.00 -1.94 -0.86 119.26 118.50 1hbi h ALA 109 Ca 0.26 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1hbi h ALA 109 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1hbi h ALA 109 CO -0.33 0.24 -0.58 0.93 0.00 0.00 0.00 179.25 179.51 1hbi h GLU 110 N 0.87 0.56 -0.90 0.00 5.08 -1.71 -3.05 114.58 115.43 1hbi h GLU 110 Ca 0.24 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1hbi h GLU 110 Cb -0.10 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1hbi h GLU 110 CO -0.05 0.98 0.59 0.35 -1.00 0.00 0.00 179.01 179.87 1hbi h PHE 111 N 0.42 1.12 0.00 4.33 3.04 -0.44 -2.11 116.94 123.30 1hbi h PHE 111 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1hbi h PHE 111 Cb 1.13 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 39.26 1hbi h PHE 111 CO 0.05 0.69 0.00 0.41 -2.02 0.00 0.00 178.31 177.43 1hbi n GLY 112 N -1.35 -0.73 0.23 2.40 0.00 -0.35 -2.32 105.19 103.08 1hbi n GLY 112 Ca 0.10 0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.33 1hbi n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hbi h LYS 113 N 0.00 0.00 0.00 1.61 1.57 -1.42 -1.64 116.57 116.69 1hbi h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hbi h LYS 113 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1hbi h LYS 113 CO 0.00 0.00 0.00 0.97 -0.57 0.00 0.00 179.45 179.85 1hbi h ILE 114 N 0.00 0.00 -0.86 1.86 6.09 -1.66 -3.25 117.51 119.68 1hbi h ILE 114 Ca 0.00 -0.28 0.01 0.00 -1.37 0.00 0.00 64.86 63.21 1hbi h ILE 114 Cb 0.21 1.10 -0.04 0.00 0.47 0.00 0.00 36.82 38.56 1hbi h ILE 114 CO 0.00 0.00 0.56 0.78 -3.07 0.00 0.00 178.15 176.42 1hbi h ASN 115 N 0.00 1.00 0.35 2.19 -0.26 -1.55 -1.62 115.58 115.70 1hbi h ASN 115 Ca 0.00 -0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1hbi h ASN 115 Cb 0.34 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 1hbi h ASN 115 CO 0.00 0.73 -0.48 1.23 -1.06 0.00 0.00 177.43 177.85 1hbi h GLY 116 N 1.17 -1.12 0.62 2.83 0.00 -1.78 -0.84 103.07 103.95 1hbi h GLY 116 Ca 0.31 0.56 0.09 0.00 0.00 0.00 0.00 47.33 48.29 1hbi h GLY 116 CO -0.07 -0.33 0.62 -2.55 0.00 0.00 0.00 176.54 174.21 1hbi h PRO 117 N -0.87 1.03 -0.02 4.80 0.11 -1.71 -1.81 132.00 133.54 1hbi h PRO 117 Ca -0.03 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1hbi h PRO 117 Cb 0.80 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 1hbi h PRO 117 CO -0.13 0.68 0.01 0.82 -0.21 0.00 0.00 178.00 179.17 1hbi h ILE 118 N 1.07 1.14 -0.81 4.15 2.04 -1.08 0.37 117.51 124.39 1hbi h ILE 118 Ca 0.45 -0.42 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1hbi h ILE 118 Cb 0.30 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 1hbi h ILE 118 CO -0.21 0.11 0.53 0.50 0.00 0.00 0.00 178.15 179.08 1hbi h LYS 119 N -0.15 0.80 -0.07 2.37 3.64 -0.93 0.95 116.57 123.18 1hbi h LYS 119 Ca 0.01 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1hbi h LYS 119 Cb 0.18 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1hbi h LYS 119 CO -0.00 0.53 -0.06 0.87 -2.27 0.00 0.00 179.45 178.52 1hbi h LYS 120 N 0.83 0.17 0.03 1.90 1.57 -0.75 0.48 116.57 120.80 1hbi h LYS 120 Ca 0.36 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1hbi h LYS 120 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1hbi h LYS 120 CO -0.14 0.59 -0.01 0.28 -0.57 0.00 0.00 179.45 179.60 1hbi h VAL 121 N -0.24 1.00 -0.49 0.50 2.07 -0.53 -0.64 116.25 117.92 1hbi h VAL 121 Ca 0.01 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1hbi h VAL 121 Cb 0.56 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 31.30 1hbi h VAL 121 CO 0.02 0.02 -0.12 -0.07 0.02 0.00 0.00 177.57 177.44 1hbi h LEU 122 N -0.08 -0.45 -1.65 2.57 3.38 -0.85 -2.03 115.31 116.19 1hbi h LEU 122 Ca -0.00 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1hbi h LEU 122 Cb 0.07 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1hbi h LEU 122 CO 0.01 -0.16 -0.13 0.00 0.09 0.00 0.00 178.44 178.24 1hbi h ALA 123 N 1.49 1.71 0.00 1.53 0.00 -0.33 0.39 119.26 124.05 1hbi h ALA 123 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1hbi h ALA 123 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1hbi h ALA 123 CO -0.50 0.22 0.00 0.66 0.00 0.00 0.00 179.25 179.62 1hbi h SER 124 N 0.05 0.00 -0.44 0.00 4.64 -0.38 -1.79 113.55 115.64 1hbi h SER 124 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1hbi h SER 124 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1hbi h SER 124 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1hbi n LYS 125 N -2.76 2.47 -1.52 4.77 4.76 0.01 -4.97 118.16 120.92 1hbi n LYS 125 Ca 0.01 -2.23 -0.04 0.00 -2.87 0.00 0.00 58.31 53.18 1hbi n LYS 125 Cb 0.26 -1.44 -0.01 0.00 -1.84 0.00 0.00 35.03 32.00 1hbi n LYS 125 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1hbi n ASN 126 N 1.21 -2.86 -4.53 4.39 2.85 -0.67 -5.02 115.26 110.62 1hbi n ASN 126 Ca 0.18 0.06 -0.38 0.00 -0.11 0.00 0.00 54.58 54.32 1hbi n ASN 126 Cb 0.53 -1.37 -0.11 0.00 1.24 0.00 0.00 39.78 40.08 1hbi n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1hbi s PHE 127 N -2.18 3.19 0.00 1.20 0.40 -0.52 -5.00 117.98 115.08 1hbi s PHE 127 Ca 0.00 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1hbi s PHE 127 Cb 0.00 -2.37 0.00 0.00 0.51 0.00 0.00 43.02 41.16 1hbi s PHE 127 CO 0.00 -0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.05 1hbi n GLY 128 N 5.04 -0.82 0.32 4.36 0.00 -1.26 -2.69 105.19 110.14 1hbi n GLY 128 Ca -0.14 -1.71 0.08 0.00 0.00 0.00 0.00 46.02 44.25 1hbi n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hbi h ASP 129 N 0.00 0.65 -0.64 1.61 5.19 -1.98 -0.16 116.42 121.08 1hbi h ASP 129 Ca 0.00 0.08 0.14 0.00 -0.62 0.00 0.00 57.03 56.63 1hbi h ASP 129 Cb 0.00 -0.03 -0.11 0.00 0.18 0.00 0.00 39.33 39.37 1hbi h ASP 129 CO 0.00 0.28 -0.04 0.50 -3.12 0.00 0.00 179.24 176.86 1hbi h LYS 130 N 0.71 0.08 -0.11 3.56 3.64 -1.99 0.32 116.57 122.79 1hbi h LYS 130 Ca 0.49 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.81 1hbi h LYS 130 Cb 0.67 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1hbi h LYS 130 CO -0.35 0.05 -0.16 1.88 -2.27 0.00 0.00 179.45 178.61 1hbi h TYR 131 N 0.09 0.37 -0.83 1.91 -1.99 -1.43 -2.25 116.97 112.83 1hbi h TYR 131 Ca 0.33 -0.12 0.15 0.00 2.00 0.00 0.00 58.73 61.09 1hbi h TYR 131 Cb 0.54 -0.07 -0.09 0.00 2.00 0.00 0.00 36.73 39.11 1hbi h TYR 131 CO -0.41 0.76 0.41 0.00 -0.00 0.00 0.00 178.16 178.92 1hbi h ALA 132 N 0.55 1.24 -0.38 3.88 0.00 -0.74 -1.17 119.26 122.64 1hbi h ALA 132 Ca 0.01 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1hbi h ALA 132 Cb 0.72 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1hbi h ALA 132 CO 0.04 -0.12 -0.16 -0.91 0.00 0.00 0.00 179.25 178.10 1hbi h ASN 133 N 0.58 0.69 -0.51 0.00 -0.26 -0.24 -1.05 115.58 114.80 1hbi h ASN 133 Ca 0.46 -0.22 0.01 0.00 -0.56 0.00 0.00 56.30 55.98 1hbi h ASN 133 Cb 0.66 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.71 1hbi h ASN 133 CO -0.37 0.86 0.34 0.00 -1.06 0.00 0.00 177.43 177.20 1hbi h ALA 134 N 1.20 0.65 -0.22 -0.83 0.00 -0.66 -2.68 119.26 116.71 1hbi h ALA 134 Ca 0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1hbi h ALA 134 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1hbi h ALA 134 CO 0.04 0.09 -0.18 -1.49 0.00 0.00 0.00 179.25 177.71 1hbi h TRP 135 N 0.69 0.42 -0.56 0.00 4.06 -0.80 -2.02 115.95 117.74 1hbi h TRP 135 Ca 0.19 -0.07 -0.05 0.00 2.06 0.00 0.00 58.89 61.02 1hbi h TRP 135 Cb -0.07 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 27.95 1hbi h TRP 135 CO -0.04 0.56 0.15 0.00 -3.56 0.00 0.00 178.44 175.55 1hbi h ALA 136 N 1.45 1.21 -0.55 1.49 0.00 -0.89 -0.93 119.26 121.04 1hbi h ALA 136 Ca 0.06 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1hbi h ALA 136 Cb 0.53 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1hbi h ALA 136 CO 0.03 0.55 0.14 0.87 0.00 0.00 0.00 179.25 180.84 1hbi h LYS 137 N 0.83 0.84 0.11 0.00 1.79 -1.08 0.85 116.57 119.90 1hbi h LYS 137 Ca 0.18 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1hbi h LYS 137 Cb 0.28 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1hbi h LYS 137 CO -0.00 0.75 -0.05 1.25 -1.08 0.00 0.00 179.45 180.31 1hbi h LEU 138 N 0.81 -0.12 -1.51 2.94 5.85 -1.12 -2.97 115.31 119.19 1hbi h LEU 138 Ca 0.18 -0.29 0.18 0.00 0.84 0.00 0.00 57.88 58.79 1hbi h LEU 138 Cb 0.28 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1hbi h LEU 138 CO -0.00 0.24 0.56 0.58 -0.34 0.00 0.00 178.44 179.48 1hbi h VAL 139 N -0.49 0.73 0.00 1.05 2.07 -1.07 -1.17 116.25 117.37 1hbi h VAL 139 Ca -0.01 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1hbi h VAL 139 Cb 0.40 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1hbi h VAL 139 CO 0.02 0.08 -0.08 0.00 0.02 0.00 0.00 177.57 177.62 1hbi h ALA 140 N 1.62 1.76 -0.35 1.67 0.00 -0.67 -0.51 119.26 122.78 1hbi h ALA 140 Ca 0.43 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1hbi h ALA 140 Cb 1.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1hbi h ALA 140 CO -0.16 0.10 -0.17 0.28 0.00 0.00 0.00 179.25 179.30 1hbi h VAL 141 N 0.00 1.29 -0.30 0.00 2.07 -1.16 -1.12 116.25 117.03 1hbi h VAL 141 Ca -0.00 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 1hbi h VAL 141 Cb 0.15 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1hbi h VAL 141 CO 0.01 0.42 0.01 0.58 0.02 0.00 0.00 177.57 178.61 1hbi h VAL 142 N 0.52 1.25 -0.62 2.57 2.07 -1.34 -2.96 116.25 117.74 1hbi h VAL 142 Ca 0.08 -0.91 0.13 0.00 0.82 0.00 0.00 66.70 66.82 1hbi h VAL 142 Cb 0.71 1.26 -0.10 0.00 -1.52 0.00 0.00 31.29 31.63 1hbi h VAL 142 CO 0.05 0.29 0.01 1.56 0.02 0.00 0.00 177.57 179.51 1hbi h GLN 143 N 0.32 0.12 -0.13 1.57 4.20 -0.97 0.83 115.11 121.05 1hbi h GLN 143 Ca 0.09 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.83 1hbi h GLN 143 Cb 0.41 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1hbi h GLN 143 CO 0.01 0.08 0.16 0.00 -0.67 0.00 0.00 178.83 178.41 1hbi h ALA 144 N 1.56 1.69 -0.01 3.87 0.00 -1.04 -1.40 119.26 123.93 1hbi h ALA 144 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1hbi h ALA 144 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1hbi h ALA 144 CO -0.52 -0.22 -0.10 0.00 0.00 0.00 0.00 179.25 178.41 1hbi n ALA 145 N -2.30 2.77 0.88 0.00 0.00 0.27 -4.37 120.51 117.78 1hbi n ALA 145 Ca 0.00 -0.33 0.11 0.00 0.00 0.00 0.00 53.44 53.22 1hbi n ALA 145 Cb 0.26 -1.28 0.09 0.00 0.00 0.00 0.00 19.45 18.52 1hbi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78