#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4hbi h VAL 3 N 0.00 1.29 -0.34 -3.33 3.04 -1.88 -1.25 116.25 113.78 4hbi h VAL 3 Ca 0.00 -1.38 -0.14 0.00 -1.01 0.00 0.00 66.70 64.17 4hbi h VAL 3 Cb 0.00 1.74 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 4hbi h VAL 3 CO 0.00 0.39 -0.33 1.88 -1.01 0.00 0.00 177.57 178.51 4hbi h TYR 4 N 0.00 0.98 -0.61 3.17 -1.99 -1.96 -0.04 116.97 116.52 4hbi h TYR 4 Ca -0.00 -0.29 -0.07 0.00 2.00 0.00 0.00 58.73 60.37 4hbi h TYR 4 Cb 0.71 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 4hbi h TYR 4 CO 0.00 1.08 0.12 -0.44 -0.00 0.00 0.00 178.16 178.91 4hbi h ASP 5 N 0.60 0.96 -0.48 3.88 3.32 -1.95 -2.57 116.42 120.18 4hbi h ASP 5 Ca 0.05 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 4hbi h ASP 5 Cb 0.91 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 4hbi h ASP 5 CO 0.08 0.96 -0.09 0.00 -1.72 0.00 0.00 179.24 178.48 4hbi h ALA 6 N 1.03 0.87 -0.45 3.45 0.00 -0.96 -2.63 119.26 120.56 4hbi h ALA 6 Ca 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 4hbi h ALA 6 Cb 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 4hbi h ALA 6 CO 0.01 0.65 0.26 0.00 0.00 0.00 0.00 179.25 180.17 4hbi h ALA 7 N 1.04 1.61 0.00 0.00 0.00 -0.88 -1.69 119.26 119.34 4hbi h ALA 7 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 4hbi h ALA 7 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.23 4hbi h ALA 7 CO 0.04 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.63 4hbi n ALA 8 N -2.47 1.38 1.28 0.00 0.00 -0.98 -1.89 120.51 117.83 4hbi n ALA 8 Ca 0.04 0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.75 4hbi n ALA 8 Cb 0.08 -1.34 0.70 0.00 0.00 0.00 0.00 19.45 18.89 4hbi n ALA 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 4hbi n GLN 9 N -2.21 0.32 -2.75 0.00 1.13 -0.63 -4.42 117.38 108.82 4hbi n GLN 9 Ca 0.01 0.02 -0.43 0.00 -1.94 0.00 0.00 57.00 54.65 4hbi n GLN 9 Cb 0.14 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 4hbi n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 4hbi s LEU 10 N -2.66 4.34 0.84 1.08 1.43 -0.79 -4.96 118.68 117.96 4hbi s LEU 10 Ca 0.24 -1.88 -0.12 0.00 -1.03 0.00 0.00 54.13 51.34 4hbi s LEU 10 Cb 0.19 -2.48 0.11 0.00 0.03 0.00 0.00 46.19 44.04 4hbi s LEU 10 CO 0.45 -1.23 1.20 0.42 0.23 0.00 0.00 176.35 177.42 4hbi s THR 11 N 3.66 2.03 0.17 5.49 -4.23 -1.26 -4.81 115.64 116.69 4hbi s THR 11 Ca 0.40 -0.04 -0.17 0.00 -1.18 0.00 0.00 61.69 60.70 4hbi s THR 11 Cb -0.02 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.94 4hbi s THR 11 CO -0.08 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.66 4hbi h ALA 12 N -1.16 0.29 -0.15 3.99 0.00 -1.98 -0.71 119.26 119.54 4hbi h ALA 12 Ca -0.45 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 4hbi h ALA 12 Cb 1.30 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 4hbi h ALA 12 CO 0.57 -0.45 -0.36 -0.44 0.00 0.00 0.00 179.25 178.57 4hbi h ASP 13 N 0.01 0.32 -0.18 0.00 3.32 -1.99 -1.41 116.42 116.49 4hbi h ASP 13 Ca 0.20 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 4hbi h ASP 13 Cb 0.31 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 4hbi h ASP 13 CO -0.43 0.66 -0.00 0.58 -1.72 0.00 0.00 179.24 178.33 4hbi h VAL 14 N 0.27 1.25 -0.50 -1.35 2.07 -1.71 -0.99 116.25 115.29 4hbi h VAL 14 Ca 0.03 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.73 4hbi h VAL 14 Cb 0.77 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 4hbi h VAL 14 CO 0.06 0.26 0.25 0.11 0.02 0.00 0.00 177.57 178.27 4hbi h LYS 15 N 0.07 0.48 -0.44 1.57 1.57 -1.01 -0.50 116.57 118.32 4hbi h LYS 15 Ca 0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 4hbi h LYS 15 Cb 0.39 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 4hbi h LYS 15 CO 0.01 0.32 0.18 -0.22 -0.57 0.00 0.00 179.45 179.17 4hbi h LYS 16 N 0.49 0.65 -0.16 3.15 1.63 -1.09 -1.33 116.57 119.92 4hbi h LYS 16 Ca 0.22 -0.11 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 4hbi h LYS 16 Cb 0.12 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 4hbi h LYS 16 CO -0.15 0.59 -0.17 -0.44 -3.45 0.00 0.00 179.45 175.83 4hbi h ASP 17 N 0.56 0.25 -0.24 4.20 3.32 -0.80 -0.04 116.42 123.68 4hbi h ASP 17 Ca 0.15 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 4hbi h ASP 17 Cb 0.18 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 4hbi h ASP 17 CO -0.01 0.45 0.04 -0.07 -1.72 0.00 0.00 179.24 177.92 4hbi h LEU 18 N 0.25 0.38 -0.35 1.55 3.38 -0.67 -1.78 115.31 118.07 4hbi h LEU 18 Ca 0.05 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 4hbi h LEU 18 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 4hbi h LEU 18 CO 0.03 0.55 -0.03 0.03 0.09 0.00 0.00 178.44 179.10 4hbi h ARG 19 N 0.20 0.64 -0.75 1.13 3.08 -0.79 -0.74 114.38 117.15 4hbi h ARG 19 Ca 0.07 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 4hbi h ARG 19 Cb 0.33 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 4hbi h ARG 19 CO 0.00 0.78 0.34 -0.44 -1.07 0.00 0.00 179.97 179.58 4hbi h ASP 20 N 0.44 0.98 0.31 7.04 3.32 -0.98 -0.59 116.42 126.92 4hbi h ASP 20 Ca 0.09 -0.12 -0.28 0.00 0.02 0.00 0.00 57.03 56.75 4hbi h ASP 20 Cb 0.51 -0.25 0.02 0.00 0.22 0.00 0.00 39.33 39.83 4hbi h ASP 20 CO 0.02 0.84 -1.18 0.77 -1.72 0.00 0.00 179.24 177.97 4hbi h SER 21 N 1.06 0.69 -0.35 6.45 4.64 -1.25 -3.26 113.55 121.53 4hbi h SER 21 Ca 0.26 -0.64 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 4hbi h SER 21 Cb 0.13 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 4hbi h SER 21 CO -0.03 1.46 0.17 -0.25 -0.87 0.00 0.00 176.83 177.32 4hbi h TRP 22 N 0.21 0.53 -0.86 4.77 2.91 -0.83 -0.54 115.95 122.14 4hbi h TRP 22 Ca -0.15 -0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.02 4hbi h TRP 22 Cb 1.86 -0.17 -0.07 0.00 -0.51 0.00 0.00 29.16 30.27 4hbi h TRP 22 CO 0.09 0.41 0.56 -0.22 -1.03 0.00 0.00 178.44 178.25 4hbi h LYS 23 N 0.55 0.53 0.00 2.65 3.64 -1.15 0.26 116.57 123.04 4hbi h LYS 23 Ca 0.14 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.32 4hbi h LYS 23 Cb 0.08 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 4hbi h LYS 23 CO -0.02 0.35 -0.93 0.28 -2.27 0.00 0.00 179.45 176.86 4hbi h VAL 24 N 0.55 1.11 -0.48 2.00 2.07 -1.37 -3.33 116.25 116.80 4hbi h VAL 24 Ca 0.44 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 4hbi h VAL 24 Cb 0.88 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 4hbi h VAL 24 CO -0.18 0.38 0.27 0.40 0.02 0.00 0.00 177.57 178.45 4hbi h ILE 25 N -1.00 1.17 0.00 4.57 1.08 -0.95 -2.42 117.51 119.95 4hbi h ILE 25 Ca -0.26 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 4hbi h ILE 25 Cb 1.21 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 4hbi h ILE 25 CO -0.16 0.18 0.00 0.61 -0.69 0.00 0.00 178.15 178.09 4hbi n GLY 26 N -1.03 -0.95 0.18 5.37 0.00 0.89 -2.92 105.19 106.74 4hbi n GLY 26 Ca 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 4hbi n GLY 26 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 4hbi h SER 27 N 0.00 0.10 -3.27 1.61 0.02 -1.54 -3.35 113.55 107.12 4hbi h SER 27 Ca 0.00 -0.04 -0.61 0.00 -0.84 0.00 0.00 61.79 60.29 4hbi h SER 27 Cb 0.21 -0.03 -0.40 0.00 0.14 0.00 0.00 62.40 62.32 4hbi h SER 27 CO 0.00 0.52 -0.73 -0.62 -1.14 0.00 0.00 176.83 174.87 4hbi s ASP 28 N -6.90 3.63 0.17 3.07 2.15 -1.15 -4.97 116.67 112.69 4hbi s ASP 28 Ca -0.03 -3.08 -0.10 0.00 0.43 0.00 0.00 52.55 49.77 4hbi s ASP 28 Cb 0.14 -1.15 0.06 0.00 -0.30 0.00 0.00 42.92 41.67 4hbi s ASP 28 CO 0.75 -0.20 1.66 0.11 -0.17 0.00 0.00 175.17 177.32 4hbi h LYS 29 N 6.15 1.01 0.27 4.34 1.57 -1.76 -0.80 116.57 127.34 4hbi h LYS 29 Ca 0.08 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 4hbi h LYS 29 Cb 0.87 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.08 4hbi h LYS 29 CO 0.55 0.97 -0.13 -0.22 -0.57 0.00 0.00 179.45 180.05 4hbi h LYS 30 N 0.91 -0.34 -0.32 3.15 3.64 -1.92 -0.19 116.57 121.51 4hbi h LYS 30 Ca 0.18 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 4hbi h LYS 30 Cb 0.47 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 4hbi h LYS 30 CO 0.02 -0.03 0.17 0.78 -2.27 0.00 0.00 179.45 178.11 4hbi h GLY 31 N -0.67 0.48 1.98 5.01 0.00 -1.97 -1.60 103.07 106.30 4hbi h GLY 31 Ca -0.04 -0.22 -0.21 0.00 0.00 0.00 0.00 47.33 46.86 4hbi h GLY 31 CO 0.06 0.21 -1.01 3.43 0.00 0.00 0.00 176.54 179.23 4hbi h ASN 32 N 0.39 0.00 -0.35 0.19 -0.26 -1.21 -2.22 115.58 112.12 4hbi h ASN 32 Ca 0.11 -0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.81 4hbi h ASN 32 Cb 0.08 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 4hbi h ASN 32 CO -0.02 1.00 0.07 1.23 -1.06 0.00 0.00 177.43 178.66 4hbi h GLY 33 N 2.99 0.61 1.17 2.83 0.00 -0.97 -0.59 103.07 109.12 4hbi h GLY 33 Ca -0.02 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 4hbi h GLY 33 CO 0.13 0.36 -0.12 -2.08 0.00 0.00 0.00 176.54 174.84 4hbi h VAL 34 N 0.41 1.27 -0.54 4.60 2.07 -1.33 -2.12 116.25 120.60 4hbi h VAL 34 Ca 0.11 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.33 4hbi h VAL 34 Cb 0.33 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 4hbi h VAL 34 CO 0.00 0.44 0.15 0.00 0.02 0.00 0.00 177.57 178.18 4hbi h ALA 35 N 1.00 1.24 0.06 1.67 0.00 -1.22 -1.45 119.26 120.56 4hbi h ALA 35 Ca 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 4hbi h ALA 35 Cb 0.66 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.24 4hbi h ALA 35 CO 0.05 0.53 -0.03 1.25 0.00 0.00 0.00 179.25 181.05 4hbi h LEU 36 N 0.80 -0.07 -0.35 0.00 5.85 -0.77 -1.86 115.31 118.91 4hbi h LEU 36 Ca 0.18 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 4hbi h LEU 36 Cb 0.26 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 4hbi h LEU 36 CO -0.01 -0.05 -0.01 0.24 -0.34 0.00 0.00 178.44 178.28 4hbi h MET 37 N -0.08 0.62 0.00 1.25 2.86 -1.20 -1.60 114.93 116.78 4hbi h MET 37 Ca -0.01 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.34 4hbi h MET 37 Cb 0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 4hbi h MET 37 CO 0.01 0.75 -0.43 1.79 1.06 0.00 0.00 176.91 180.09 4hbi h THR 38 N 0.43 1.19 -0.37 2.22 1.35 -1.23 -1.45 112.91 115.05 4hbi h THR 38 Ca 0.10 -1.52 -0.13 0.00 -0.55 0.00 0.00 66.41 64.30 4hbi h THR 38 Cb 0.47 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 4hbi h THR 38 CO 0.02 0.42 -0.31 0.74 -0.25 0.00 0.00 175.52 176.14 4hbi h THR 39 N 0.00 1.28 -0.38 6.82 2.02 -1.20 0.64 112.91 122.10 4hbi h THR 39 Ca -0.00 -1.46 -0.00 0.00 0.77 0.00 0.00 66.41 65.72 4hbi h THR 39 Cb 0.81 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 4hbi h THR 39 CO 0.06 0.48 0.23 0.25 0.37 0.00 0.00 175.52 176.91 4hbi h LEU 40 N 0.68 0.45 -0.79 2.58 5.85 -0.71 -0.19 115.31 123.18 4hbi h LEU 40 Ca 0.08 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 4hbi h LEU 40 Cb 0.85 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 4hbi h LEU 40 CO 0.07 0.37 -0.23 -0.26 -0.34 0.00 0.00 178.44 178.05 4hbi h PHE 41 N 0.50 0.75 -0.12 1.25 0.04 -1.08 0.16 116.94 118.43 4hbi h PHE 41 Ca 0.14 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 4hbi h PHE 41 Cb -0.00 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 37.96 4hbi h PHE 41 CO -0.04 0.83 -0.04 0.00 -0.60 0.00 0.00 178.31 178.47 4hbi h ALA 42 N 1.17 0.17 0.00 2.45 0.00 -0.55 -2.85 119.26 119.64 4hbi h ALA 42 Ca 0.08 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 4hbi h ALA 42 Cb 0.70 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 4hbi h ALA 42 CO 0.05 -0.07 -0.73 -0.44 0.00 0.00 0.00 179.25 178.06 4hbi h ASP 43 N -0.09 0.00 -2.08 0.00 5.19 -0.97 -3.38 116.42 115.09 4hbi h ASP 43 Ca 0.03 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.87 4hbi h ASP 43 Cb 0.48 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 39.59 4hbi h ASP 43 CO 0.01 0.70 -1.02 0.59 -3.12 0.00 0.00 179.24 176.41 4hbi n ASN 44 N -3.27 0.63 0.05 6.45 4.13 0.55 -4.96 115.26 118.84 4hbi n ASN 44 Ca 0.01 -2.77 0.20 0.00 1.68 0.00 0.00 54.58 53.70 4hbi n ASN 44 Cb 0.82 -0.64 0.73 0.00 -1.54 0.00 0.00 39.78 39.16 4hbi n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 4hbi h GLN 45 N 4.22 0.00 0.00 3.52 1.08 -1.68 -1.09 115.11 121.16 4hbi h GLN 45 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 4hbi h GLN 45 Cb 0.85 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 4hbi h GLN 45 CO 0.51 0.00 0.00 1.05 -0.95 0.00 0.00 178.83 179.44 4hbi h GLU 46 N 0.00 0.00 0.00 1.46 9.09 -1.92 -2.52 114.58 120.68 4hbi h GLU 46 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 4hbi h GLU 46 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.10 4hbi h GLU 46 CO -0.00 0.00 -0.10 1.79 0.05 0.00 0.00 179.01 180.75 4hbi h THR 47 N 0.00 0.00 -0.56 -1.06 1.35 -1.54 -3.32 112.91 107.78 4hbi h THR 47 Ca 0.00 -0.70 0.11 0.00 -0.55 0.00 0.00 66.41 65.27 4hbi h THR 47 Cb 0.19 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.22 4hbi h THR 47 CO 0.00 0.00 0.38 0.40 -0.25 0.00 0.00 175.52 176.05 4hbi h ILE 48 N 0.00 0.86 -0.76 6.82 2.04 -1.63 -1.44 117.51 123.40 4hbi h ILE 48 Ca 0.00 -0.10 0.17 0.00 1.00 0.00 0.00 64.86 65.93 4hbi h ILE 48 Cb 0.85 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 4hbi h ILE 48 CO 0.00 0.05 0.52 1.23 0.00 0.00 0.00 178.15 179.95 4hbi h GLY 49 N 0.30 0.57 2.00 5.37 0.00 -1.79 0.69 103.07 110.21 4hbi h GLY 49 Ca 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 4hbi h GLY 49 CO -0.06 0.03 -0.05 -0.97 0.00 0.00 0.00 176.54 175.50 4hbi h TYR 50 N 0.31 0.00 -0.60 5.60 0.05 -1.53 -3.26 116.97 117.55 4hbi h TYR 50 Ca 0.38 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.87 4hbi h TYR 50 Cb 1.01 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.58 4hbi h TYR 50 CO -0.00 0.05 0.20 1.19 -1.05 0.00 0.00 178.16 178.55 4hbi n PHE 51 N -3.16 1.87 -0.30 4.88 3.72 0.23 -4.71 117.46 119.98 4hbi n PHE 51 Ca 0.01 -1.59 0.18 0.00 -0.05 0.00 0.00 57.45 55.99 4hbi n PHE 51 Cb 0.34 -0.65 0.44 0.00 -0.94 0.00 0.00 39.48 38.67 4hbi n PHE 51 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 4hbi h LYS 52 N 1.22 0.52 0.00 -1.08 1.57 -1.60 -0.43 116.57 116.77 4hbi h LYS 52 Ca 0.35 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 4hbi h LYS 52 Cb 2.11 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 34.30 4hbi h LYS 52 CO 0.65 0.34 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.70 4hbi h ARG 53 N 0.53 0.00 0.00 3.15 2.43 -1.92 -2.16 114.38 116.41 4hbi h ARG 53 Ca 0.54 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 4hbi h ARG 53 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 4hbi h ARG 53 CO -0.28 0.08 0.00 1.28 -1.51 0.00 0.00 179.97 179.54 4hbi n LEU 54 N -3.57 0.06 0.00 3.80 4.32 -0.17 -5.00 117.00 116.45 4hbi n LEU 54 Ca -0.02 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.48 4hbi n LEU 54 Cb 0.20 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.50 4hbi n LEU 54 CO 0.28 -0.14 0.00 0.61 -1.22 0.00 0.00 177.39 176.92 4hbi n GLY 55 N 0.76 0.56 3.54 -0.72 0.00 -0.82 -4.48 105.19 104.03 4hbi n GLY 55 Ca 0.05 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 4hbi n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 4hbi s ASP 56 N -4.00 6.32 0.55 1.61 2.15 -1.26 -4.86 116.67 117.17 4hbi s ASP 56 Ca 0.00 -0.97 0.36 0.00 0.43 0.00 0.00 52.55 52.37 4hbi s ASP 56 Cb 0.00 -2.54 1.82 0.00 -0.30 0.00 0.00 42.92 41.90 4hbi s ASP 56 CO 0.00 -1.64 2.10 0.58 -0.17 0.00 0.00 175.17 176.04 4hbi h VAL 57 N 6.32 0.00 0.00 1.11 2.07 -1.95 -2.60 116.25 121.20 4hbi h VAL 57 Ca -0.07 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.29 4hbi h VAL 57 Cb 1.03 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 4hbi h VAL 57 CO 1.32 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.37 4hbi n SER 58 N -2.88 0.01 0.13 0.57 3.41 -1.26 -2.63 113.62 110.97 4hbi n SER 58 Ca -0.01 0.50 0.13 0.00 -0.26 0.00 0.00 58.87 59.23 4hbi n SER 58 Cb 0.14 -0.50 0.45 0.00 -0.26 0.00 0.00 64.21 64.04 4hbi n SER 58 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 4hbi h GLN 59 N 0.00 0.00 0.00 4.33 1.08 -1.88 -3.48 115.11 115.16 4hbi h GLN 59 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 4hbi h GLN 59 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 4hbi h GLN 59 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 4hbi n GLY 60 N 0.65 3.56 0.42 3.46 0.00 -1.08 -2.44 105.19 109.76 4hbi n GLY 60 Ca 0.04 -0.04 0.23 0.00 0.00 0.00 0.00 46.02 46.25 4hbi n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 4hbi h MET 61 N 0.00 0.14 0.00 1.61 1.85 -1.93 -0.05 114.93 116.56 4hbi h MET 61 Ca 0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 4hbi h MET 61 Cb 0.00 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.00 4hbi h MET 61 CO 0.00 0.09 0.00 0.00 -0.40 0.00 0.00 176.91 176.60 4hbi n ALA 62 N -2.63 1.99 -2.54 0.39 0.00 -1.02 -4.52 120.51 112.18 4hbi n ALA 62 Ca 0.17 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 4hbi n ALA 62 Cb 0.78 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 4hbi n ALA 62 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 4hbi s ASN 63 N -3.83 6.37 0.27 0.00 3.84 -0.03 -4.93 114.94 116.63 4hbi s ASN 63 Ca 0.09 -0.16 -0.04 0.00 0.21 0.00 0.00 52.86 52.96 4hbi s ASN 63 Cb 0.12 -2.34 0.34 0.00 -0.55 0.00 0.00 41.25 38.82 4hbi s ASN 63 CO 0.46 -0.76 1.93 0.44 -2.79 0.00 0.00 177.10 176.38 4hbi h ASP 64 N 8.79 1.08 -0.34 -4.21 3.32 -1.85 -0.23 116.42 122.98 4hbi h ASP 64 Ca -0.25 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.64 4hbi h ASP 64 Cb 1.10 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 4hbi h ASP 64 CO 0.89 0.77 -0.31 0.11 -1.72 0.00 0.00 179.24 178.98 4hbi h LYS 65 N 1.27 0.82 -0.43 3.56 1.57 -1.91 -0.00 116.57 121.44 4hbi h LYS 65 Ca 0.36 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 4hbi h LYS 65 Cb -0.09 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 4hbi h LYS 65 CO -0.09 1.05 0.13 1.25 -0.57 0.00 0.00 179.45 181.23 4hbi h LEU 66 N 0.60 0.63 -0.68 2.94 5.85 -1.73 -0.97 115.31 121.95 4hbi h LEU 66 Ca 0.06 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 4hbi h LEU 66 Cb 0.89 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 4hbi h LEU 66 CO 0.08 0.67 0.34 -0.09 -0.34 0.00 0.00 178.44 179.09 4hbi h ARG 67 N 0.56 0.98 -0.45 1.25 2.43 -0.86 -0.41 114.38 117.88 4hbi h ARG 67 Ca 0.14 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 4hbi h ARG 67 Cb 0.27 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 4hbi h ARG 67 CO -0.00 0.77 0.23 0.78 -1.51 0.00 0.00 179.97 180.23 4hbi h GLY 68 N 0.95 0.68 0.93 2.80 0.00 -0.84 -1.99 103.07 105.60 4hbi h GLY 68 Ca 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 4hbi h GLY 68 CO -0.03 0.31 0.13 0.84 0.00 0.00 0.00 176.54 177.78 4hbi h HIS 69 N 0.58 0.37 -0.84 5.60 -0.00 -0.77 -2.46 115.15 117.63 4hbi h HIS 69 Ca 0.16 -0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.53 4hbi h HIS 69 Cb 0.08 -0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 27.33 4hbi h HIS 69 CO -0.02 0.34 0.55 0.77 -0.00 0.00 0.00 177.93 179.57 4hbi h SER 70 N 0.29 0.92 -0.29 3.26 0.02 -0.91 0.38 113.55 117.21 4hbi h SER 70 Ca 0.09 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 4hbi h SER 70 Cb 0.11 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 4hbi h SER 70 CO -0.01 0.65 0.08 0.40 -1.14 0.00 0.00 176.83 176.80 4hbi h ILE 71 N 1.08 1.21 -0.69 3.27 2.04 -1.30 -2.67 117.51 120.46 4hbi h ILE 71 Ca 0.32 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 4hbi h ILE 71 Cb -0.05 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 4hbi h ILE 71 CO -0.10 0.23 0.21 0.40 0.00 0.00 0.00 178.15 178.89 4hbi h ILE 72 N 0.30 1.25 -0.79 -0.67 2.04 -1.06 -2.15 117.51 116.43 4hbi h ILE 72 Ca 0.09 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.15 4hbi h ILE 72 Cb 0.27 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 4hbi h ILE 72 CO -0.00 0.34 0.46 0.25 0.00 0.00 0.00 178.15 179.20 4hbi h LEU 73 N 1.02 0.69 -1.45 1.44 6.46 -0.76 -2.10 115.31 120.61 4hbi h LEU 73 Ca 0.22 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.96 4hbi h LEU 73 Cb 0.30 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 4hbi h LEU 73 CO -0.01 0.42 -0.28 0.24 -0.62 0.00 0.00 178.44 178.20 4hbi h MET 74 N 0.81 0.00 0.00 1.25 2.86 -1.05 -1.75 114.93 117.06 4hbi h MET 74 Ca 0.36 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.95 4hbi h MET 74 Cb 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 4hbi h MET 74 CO -0.21 0.28 -0.26 1.88 1.06 0.00 0.00 176.91 179.66 4hbi h TYR 75 N 0.00 0.00 -0.35 -0.22 0.05 -1.18 -0.95 116.97 114.32 4hbi h TYR 75 Ca -0.00 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.61 4hbi h TYR 75 Cb 0.53 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.27 4hbi h TYR 75 CO 0.00 0.26 -0.45 0.00 -1.05 0.00 0.00 178.16 176.92 4hbi h ALA 76 N 1.74 0.53 -0.52 3.88 0.00 -1.12 -0.95 119.26 122.83 4hbi h ALA 76 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 4hbi h ALA 76 Cb 0.88 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 4hbi h ALA 76 CO 0.03 0.68 0.15 -0.07 0.00 0.00 0.00 179.25 180.05 4hbi h LEU 77 N 0.73 0.76 -0.67 0.00 4.07 -1.26 -1.65 115.31 117.30 4hbi h LEU 77 Ca 0.04 -0.21 0.08 0.00 0.08 0.00 0.00 57.88 57.87 4hbi h LEU 77 Cb 1.05 -0.20 -0.07 0.00 1.08 0.00 0.00 40.66 42.53 4hbi h LEU 77 CO 0.11 0.77 0.33 -0.61 -1.08 0.00 0.00 178.44 177.96 4hbi h GLN 78 N 0.71 0.56 0.13 1.13 5.75 -1.07 -1.07 115.11 121.25 4hbi h GLN 78 Ca 0.17 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 4hbi h GLN 78 Cb 0.29 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.72 4hbi h GLN 78 CO -0.00 0.37 -0.06 -0.97 -2.65 0.00 0.00 178.83 175.51 4hbi h ASN 79 N 0.57 -0.15 -0.68 -0.69 -0.73 -0.89 -1.31 115.58 111.70 4hbi h ASN 79 Ca 0.32 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.55 4hbi h ASN 79 Cb 0.32 0.04 -0.05 0.00 0.27 0.00 0.00 38.32 38.89 4hbi h ASN 79 CO -0.25 -0.11 0.40 -0.26 -0.37 0.00 0.00 177.43 176.84 4hbi h PHE 80 N -0.18 0.73 -0.66 0.67 0.04 -0.70 -1.72 116.94 115.13 4hbi h PHE 80 Ca -0.02 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 4hbi h PHE 80 Cb 0.14 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 4hbi h PHE 80 CO -0.07 0.37 0.37 0.82 -0.60 0.00 0.00 178.31 179.20 4hbi h ILE 81 N 0.74 1.21 0.00 -0.55 1.08 -1.08 -1.95 117.51 116.95 4hbi h ILE 81 Ca 0.30 -0.51 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 4hbi h ILE 81 Cb 0.15 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 34.23 4hbi h ILE 81 CO -0.16 0.23 -0.02 0.44 -0.69 0.00 0.00 178.15 177.94 4hbi h ASP 82 N 0.91 0.00 -0.28 1.72 3.32 -0.38 -2.60 116.42 119.10 4hbi h ASP 82 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 4hbi h ASP 82 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 4hbi h ASP 82 CO -0.04 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.50 4hbi n GLN 83 N -3.14 2.14 0.26 3.56 1.13 -0.75 -4.39 117.38 116.19 4hbi n GLN 83 Ca -0.01 -1.71 0.10 0.00 -1.94 0.00 0.00 57.00 53.44 4hbi n GLN 83 Cb 0.24 -1.45 0.68 0.00 0.11 0.00 0.00 30.24 29.82 4hbi n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 4hbi h LEU 84 N 3.39 0.00 -1.16 1.08 3.38 -1.34 -1.90 115.31 118.76 4hbi h LEU 84 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 4hbi h LEU 84 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 4hbi h LEU 84 CO 0.00 0.11 -0.03 0.44 0.09 0.00 0.00 178.44 179.05 4hbi h ASP 85 N 0.00 0.52 -3.57 -0.43 3.32 -1.82 -3.40 116.42 111.04 4hbi h ASP 85 Ca -0.00 -0.11 -0.64 0.00 0.02 0.00 0.00 57.03 56.30 4hbi h ASP 85 Cb 0.24 -0.14 -0.40 0.00 0.22 0.00 0.00 39.33 39.26 4hbi h ASP 85 CO 0.01 0.61 -0.74 0.21 -1.72 0.00 0.00 179.24 177.62 4hbi s ASN 86 N -6.74 4.49 0.39 6.45 3.84 -0.71 -4.99 114.94 117.67 4hbi s ASN 86 Ca -0.08 -1.90 0.13 0.00 0.21 0.00 0.00 52.86 51.22 4hbi s ASN 86 Cb 0.15 -1.40 0.95 0.00 -0.55 0.00 0.00 41.25 40.40 4hbi s ASN 86 CO 0.77 -0.36 1.88 -0.65 -2.79 0.00 0.00 177.10 175.95 4hbi h PRO 87 N 7.76 0.53 -0.67 0.43 0.11 -1.79 -0.89 132.00 137.48 4hbi h PRO 87 Ca -0.08 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 4hbi h PRO 87 Cb 1.02 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 4hbi h PRO 87 CO 0.50 0.35 0.18 -0.44 -0.21 0.00 0.00 178.00 178.38 4hbi h ASP 88 N 0.55 0.98 0.22 -2.05 3.32 -1.94 -0.53 116.42 116.97 4hbi h ASP 88 Ca 0.43 -0.19 -0.23 0.00 0.02 0.00 0.00 57.03 57.06 4hbi h ASP 88 Cb 0.87 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.17 4hbi h ASP 88 CO -0.18 0.93 -0.95 0.44 -1.72 0.00 0.00 179.24 177.76 4hbi h ASP 89 N 1.00 0.65 -0.24 6.45 3.32 -1.58 -2.28 116.42 123.75 4hbi h ASP 89 Ca 0.22 -0.51 0.02 0.00 0.02 0.00 0.00 57.03 56.77 4hbi h ASP 89 Cb 0.32 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 4hbi h ASP 89 CO -0.00 1.31 0.11 0.25 -1.72 0.00 0.00 179.24 179.18 4hbi h LEU 90 N 0.29 0.15 -0.32 1.55 5.85 -0.96 -1.27 115.31 120.60 4hbi h LEU 90 Ca -0.09 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 4hbi h LEU 90 Cb 1.59 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 4hbi h LEU 90 CO 0.17 0.12 0.12 0.58 -0.34 0.00 0.00 178.44 179.09 4hbi h VAL 91 N 0.23 1.19 0.00 1.05 2.07 -1.10 0.17 116.25 119.86 4hbi h VAL 91 Ca 0.10 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 4hbi h VAL 91 Cb 0.04 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 4hbi h VAL 91 CO -0.08 0.20 -0.41 0.00 0.02 0.00 0.00 177.57 177.30 4hbi h VAL 93 N 0.00 1.32 -0.22 0.00 2.07 -0.98 -2.49 116.25 115.95 4hbi h VAL 93 Ca -0.00 -1.94 -0.00 0.00 0.82 0.00 0.00 66.70 65.58 4hbi h VAL 93 Cb 0.74 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 4hbi h VAL 93 CO 0.05 0.60 0.13 0.58 0.02 0.00 0.00 177.57 178.95 4hbi h VAL 94 N 0.35 1.10 -0.72 2.57 2.07 -0.54 -1.46 116.25 119.61 4hbi h VAL 94 Ca -0.05 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 4hbi h VAL 94 Cb 1.32 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 4hbi h VAL 94 CO 0.14 0.09 0.35 -0.33 0.02 0.00 0.00 177.57 177.84 4hbi h GLU 95 N 0.26 1.02 -0.25 1.57 5.08 -1.24 0.10 114.58 121.12 4hbi h GLU 95 Ca 0.08 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 4hbi h GLU 95 Cb 0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 4hbi h GLU 95 CO -0.01 0.79 0.10 -0.22 -1.00 0.00 0.00 179.01 178.66 4hbi h LYS 96 N 1.02 0.38 -0.93 2.33 1.63 -1.28 -2.70 116.57 117.02 4hbi h LYS 96 Ca 0.25 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 60.01 4hbi h LYS 96 Cb 0.10 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.62 4hbi h LYS 96 CO -0.03 0.42 0.61 0.35 -3.45 0.00 0.00 179.45 177.35 4hbi h PHE 97 N 0.26 1.14 -0.01 1.91 3.04 -0.87 -2.79 116.94 119.62 4hbi h PHE 97 Ca 0.08 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.02 4hbi h PHE 97 Cb 0.18 -0.38 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 4hbi h PHE 97 CO -0.01 0.67 -0.19 0.00 -2.02 0.00 0.00 178.31 176.76 4hbi h ALA 98 N 1.45 1.66 -0.38 2.41 0.00 -0.66 -3.32 119.26 120.42 4hbi h ALA 98 Ca 0.36 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.16 4hbi h ALA 98 Cb -0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 4hbi h ALA 98 CO -0.11 0.26 -0.38 0.28 0.00 0.00 0.00 179.25 179.30 4hbi h VAL 99 N 0.02 0.17 0.00 0.00 2.07 -1.32 0.29 116.25 117.47 4hbi h VAL 99 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 4hbi h VAL 99 Cb 0.35 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 4hbi h VAL 99 CO 0.03 0.00 -0.34 0.78 0.02 0.00 0.00 177.57 178.05 4hbi h ASN 100 N -0.30 0.00 0.21 0.57 2.35 -1.77 -1.11 115.58 115.53 4hbi h ASN 100 Ca 0.15 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.70 4hbi h ASN 100 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 4hbi h ASN 100 CO -0.55 0.34 -0.81 0.45 -1.65 0.00 0.00 177.43 175.22 4hbi h HIS 101 N 0.00 0.66 -0.43 1.19 3.86 -1.32 -2.17 115.15 116.94 4hbi h HIS 101 Ca -0.00 -0.31 -0.06 0.00 -1.16 0.00 0.00 60.37 58.84 4hbi h HIS 101 Cb 0.64 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 4hbi h HIS 101 CO 0.00 1.10 0.05 0.82 0.86 0.00 0.00 177.93 180.77 4hbi h ILE 102 N 0.31 1.25 -0.56 2.45 2.04 -0.64 -1.83 117.51 120.54 4hbi h ILE 102 Ca -0.05 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 64.91 4hbi h ILE 102 Cb 1.41 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 4hbi h ILE 102 CO 0.14 0.32 0.37 0.74 0.00 0.00 0.00 178.15 179.72 4hbi h THR 103 N 0.58 1.08 -0.03 -0.27 2.02 -1.07 -0.83 112.91 114.39 4hbi h THR 103 Ca 0.13 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.08 4hbi h THR 103 Cb 0.40 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 4hbi h THR 103 CO 0.01 0.12 0.00 0.54 0.37 0.00 0.00 175.52 176.56 4hbi n ARG 104 N -4.47 1.19 -3.55 6.66 1.74 -0.83 -4.93 116.66 112.47 4hbi n ARG 104 Ca 0.06 -0.28 -0.21 0.00 -0.77 0.00 0.00 57.85 56.65 4hbi n ARG 104 Cb 0.13 -1.38 0.08 0.00 -1.02 0.00 0.00 32.46 30.27 4hbi n ARG 104 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 4hbi n LYS 105 N -0.56 -7.30 -3.16 5.56 5.02 -0.32 -4.98 118.16 112.42 4hbi n LYS 105 Ca 0.17 0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 56.87 4hbi n LYS 105 Cb 0.15 -5.85 -0.07 0.00 -0.02 0.00 0.00 35.03 29.24 4hbi n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 4hbi s ILE 106 N -3.34 4.93 0.81 -0.18 -1.09 -0.72 -5.05 121.20 116.56 4hbi s ILE 106 Ca 0.35 0.40 -0.10 0.00 -2.23 0.00 0.00 60.65 59.07 4hbi s ILE 106 Cb -0.15 -4.05 0.11 0.00 -1.58 0.00 0.00 42.46 36.78 4hbi s ILE 106 CO 0.74 -0.32 1.14 -0.94 -1.23 0.00 0.00 174.94 174.33 4hbi s SER 107 N 1.81 4.20 0.23 3.58 1.04 -1.26 -4.57 113.70 118.73 4hbi s SER 107 Ca 0.22 0.40 -0.07 0.00 0.48 0.00 0.00 55.95 56.97 4hbi s SER 107 Cb -0.15 -0.80 0.23 0.00 0.10 0.00 0.00 66.02 65.40 4hbi s SER 107 CO 0.15 -2.03 1.90 0.00 0.98 0.00 0.00 173.24 174.24 4hbi h ALA 108 N -1.01 1.15 -0.36 5.32 0.00 -1.87 -0.43 119.26 122.06 4hbi h ALA 108 Ca -0.44 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 4hbi h ALA 108 Cb 1.29 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 4hbi h ALA 108 CO 0.53 0.51 -0.05 0.00 0.00 0.00 0.00 179.25 180.24 4hbi h ALA 109 N 1.34 1.23 -0.13 0.00 0.00 -1.94 -0.13 119.26 119.63 4hbi h ALA 109 Ca 0.34 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 4hbi h ALA 109 Cb -0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 4hbi h ALA 109 CO -0.08 0.50 -0.19 1.49 0.00 0.00 0.00 179.25 180.98 4hbi h GLU 110 N 0.56 0.36 -0.84 0.00 4.57 -1.81 -3.23 114.58 114.19 4hbi h GLU 110 Ca 0.11 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 4hbi h GLU 110 Cb 0.44 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 4hbi h GLU 110 CO 0.02 0.79 0.52 0.35 -1.18 0.00 0.00 179.01 179.51 4hbi h PHE 111 N -0.04 1.09 0.00 0.92 3.57 -0.79 -2.24 116.94 119.45 4hbi h PHE 111 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 4hbi h PHE 111 Cb 0.75 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.12 4hbi h PHE 111 CO 0.09 0.72 0.13 0.78 -2.23 0.00 0.00 178.31 177.80 4hbi h GLY 112 N 1.15 0.00 2.00 2.40 0.00 -1.04 -1.55 103.07 106.03 4hbi h GLY 112 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 4hbi h GLY 112 CO -0.06 0.00 0.00 0.50 0.00 0.00 0.00 176.54 176.98 4hbi h LYS 113 N 0.00 0.00 0.00 4.80 1.57 -1.46 -2.09 116.57 119.38 4hbi h LYS 113 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 4hbi h LYS 113 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 4hbi h LYS 113 CO 0.00 0.00 -0.01 0.97 -0.57 0.00 0.00 179.45 179.84 4hbi h ILE 114 N 0.00 0.03 -0.98 1.86 6.09 -1.49 -3.23 117.51 119.80 4hbi h ILE 114 Ca 0.00 -0.48 0.03 0.00 -1.37 0.00 0.00 64.86 63.04 4hbi h ILE 114 Cb 0.23 1.46 -0.06 0.00 0.47 0.00 0.00 36.82 38.92 4hbi h ILE 114 CO 0.00 0.01 0.64 0.78 -3.07 0.00 0.00 178.15 176.51 4hbi h ASN 115 N 0.00 1.07 0.42 2.19 -0.26 -1.61 -1.32 115.58 116.08 4hbi h ASN 115 Ca -0.00 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 4hbi h ASN 115 Cb 0.46 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 4hbi h ASN 115 CO 0.00 0.74 -0.20 1.23 -1.06 0.00 0.00 177.43 178.14 4hbi h GLY 116 N 1.25 -0.59 -0.23 2.83 0.00 -1.78 -0.13 103.07 104.41 4hbi h GLY 116 Ca 0.38 0.22 0.16 0.00 0.00 0.00 0.00 47.33 48.09 4hbi h GLY 116 CO -0.12 -0.22 0.04 -2.55 0.00 0.00 0.00 176.54 173.70 4hbi h PRO 117 N -0.66 0.13 -0.18 4.80 0.11 -1.72 -1.67 132.00 132.81 4hbi h PRO 117 Ca -0.06 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 4hbi h PRO 117 Cb 0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 4hbi h PRO 117 CO 0.10 0.09 0.11 0.82 -0.21 0.00 0.00 178.00 178.90 4hbi h ILE 118 N 0.14 1.08 -0.87 4.15 2.04 -0.95 -0.93 117.51 122.17 4hbi h ILE 118 Ca 0.39 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 66.15 4hbi h ILE 118 Cb 0.68 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 4hbi h ILE 118 CO -0.60 0.07 0.52 0.50 0.00 0.00 0.00 178.15 178.64 4hbi h LYS 119 N 0.22 0.88 -0.38 2.37 3.64 -0.64 -0.61 116.57 122.04 4hbi h LYS 119 Ca 0.06 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 4hbi h LYS 119 Cb 0.02 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 4hbi h LYS 119 CO -0.01 0.58 -0.19 0.87 -2.27 0.00 0.00 179.45 178.44 4hbi h LYS 120 N 0.91 0.80 -0.49 1.90 1.57 -0.89 -0.42 116.57 119.95 4hbi h LYS 120 Ca 0.40 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 4hbi h LYS 120 Cb 0.28 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 4hbi h LYS 120 CO -0.21 0.97 -0.03 0.28 -0.57 0.00 0.00 179.45 179.90 4hbi h VAL 121 N 0.60 1.25 -0.30 0.50 2.07 -0.70 -1.46 116.25 118.19 4hbi h VAL 121 Ca 0.08 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 4hbi h VAL 121 Cb 0.74 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 4hbi h VAL 121 CO 0.06 0.37 0.19 -0.07 0.02 0.00 0.00 177.57 178.14 4hbi h LEU 122 N 0.76 0.36 -1.23 2.57 4.07 -0.98 -2.83 115.31 118.03 4hbi h LEU 122 Ca 0.14 -0.04 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 4hbi h LEU 122 Cb 0.50 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 4hbi h LEU 122 CO 0.03 0.30 0.06 0.00 -1.08 0.00 0.00 178.44 177.74 4hbi h ALA 123 N 1.08 1.38 0.00 1.53 0.00 -0.60 0.70 119.26 123.35 4hbi h ALA 123 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 4hbi h ALA 123 Cb -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 4hbi h ALA 123 CO -0.02 0.44 0.00 0.66 0.00 0.00 0.00 179.25 180.33 4hbi h SER 124 N 0.57 0.00 -0.44 0.00 4.64 -1.04 -2.03 113.55 115.25 4hbi h SER 124 Ca 0.13 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 4hbi h SER 124 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 4hbi h SER 124 CO 0.00 0.00 0.03 0.29 -0.87 0.00 0.00 176.83 176.28 4hbi n LYS 125 N -3.04 3.78 -2.84 4.77 4.76 0.12 -4.95 118.16 120.76 4hbi n LYS 125 Ca -0.00 -3.02 -0.20 0.00 -2.87 0.00 0.00 58.31 52.22 4hbi n LYS 125 Cb 0.23 -2.06 0.02 0.00 -1.84 0.00 0.00 35.03 31.39 4hbi n LYS 125 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 4hbi n ASN 126 N -0.04 -5.73 -4.33 4.39 5.15 -0.76 -4.99 115.26 108.95 4hbi n ASN 126 Ca 0.27 -0.22 -0.37 0.00 -0.60 0.00 0.00 54.58 53.66 4hbi n ASN 126 Cb 1.08 -4.60 -0.13 0.00 -0.53 0.00 0.00 39.78 35.60 4hbi n ASN 126 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 4hbi s PHE 127 N -3.10 3.12 0.00 1.20 0.08 -0.48 -5.00 117.98 113.81 4hbi s PHE 127 Ca 0.22 -1.03 0.00 0.00 0.12 0.00 0.00 56.93 56.24 4hbi s PHE 127 Cb -0.10 -2.21 0.00 0.00 -0.57 0.00 0.00 43.02 40.14 4hbi s PHE 127 CO 0.28 -0.58 0.00 0.41 -0.10 0.00 0.00 175.22 175.22 4hbi n GLY 128 N 4.83 -0.17 0.37 4.36 0.00 -1.26 -3.02 105.19 110.30 4hbi n GLY 128 Ca -0.15 -1.74 0.16 0.00 0.00 0.00 0.00 46.02 44.29 4hbi n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 4hbi h ASP 129 N 0.00 0.66 -0.83 1.61 5.19 -1.98 -0.14 116.42 120.93 4hbi h ASP 129 Ca 0.00 0.09 0.11 0.00 -0.62 0.00 0.00 57.03 56.62 4hbi h ASP 129 Cb 0.00 -0.02 -0.08 0.00 0.18 0.00 0.00 39.33 39.41 4hbi h ASP 129 CO 0.00 0.20 0.46 0.50 -3.12 0.00 0.00 179.24 177.28 4hbi h LYS 130 N 0.62 0.70 0.19 3.56 3.64 -1.99 0.28 116.57 123.58 4hbi h LYS 130 Ca 0.58 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.60 4hbi h LYS 130 Cb 1.10 -0.16 0.03 0.00 -0.41 0.00 0.00 32.23 32.80 4hbi h LYS 130 CO -0.35 0.47 -1.34 1.88 -2.27 0.00 0.00 179.45 177.83 4hbi h TYR 131 N 0.73 0.98 -0.93 1.91 0.05 -1.37 -2.66 116.97 115.68 4hbi h TYR 131 Ca 0.42 -0.67 0.09 0.00 0.05 0.00 0.00 58.73 58.63 4hbi h TYR 131 Cb 0.48 -0.06 -0.07 0.00 1.01 0.00 0.00 36.73 38.09 4hbi h TYR 131 CO -0.07 1.51 0.60 0.00 -1.05 0.00 0.00 178.16 179.15 4hbi h ALA 132 N 0.20 1.57 -0.06 3.88 0.00 -0.77 -1.33 119.26 122.76 4hbi h ALA 132 Ca -0.22 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 4hbi h ALA 132 Cb 2.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 4hbi h ALA 132 CO 0.25 0.24 -0.65 -0.91 0.00 0.00 0.00 179.25 178.18 4hbi h ASN 133 N 0.96 0.30 -0.30 0.00 -0.26 -0.95 -0.99 115.58 114.33 4hbi h ASN 133 Ca 0.43 -0.18 -0.04 0.00 -0.56 0.00 0.00 56.30 55.94 4hbi h ASN 133 Cb 0.37 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 4hbi h ASN 133 CO -0.19 0.87 0.03 0.00 -1.06 0.00 0.00 177.43 177.08 4hbi h ALA 134 N 1.13 0.41 -0.30 -0.83 0.00 -0.95 -2.32 119.26 116.39 4hbi h ALA 134 Ca -0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 4hbi h ALA 134 Cb 1.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 4hbi h ALA 134 CO 0.10 0.12 -0.08 -1.49 0.00 0.00 0.00 179.25 177.90 4hbi h TRP 135 N 0.33 0.52 -0.39 0.00 4.06 -1.19 -1.83 115.95 117.45 4hbi h TRP 135 Ca 0.09 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 4hbi h TRP 135 Cb 0.38 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 4hbi h TRP 135 CO 0.03 0.57 0.14 0.00 -3.56 0.00 0.00 178.44 175.62 4hbi h ALA 136 N 1.46 1.53 -0.27 1.49 0.00 -0.96 -1.20 119.26 121.32 4hbi h ALA 136 Ca 0.09 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 4hbi h ALA 136 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 4hbi h ALA 136 CO 0.02 0.36 -0.42 0.87 0.00 0.00 0.00 179.25 180.09 4hbi h LYS 137 N 0.55 0.65 -0.34 0.00 1.57 -0.78 -0.60 116.57 117.61 4hbi h LYS 137 Ca 0.13 -0.34 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 4hbi h LYS 137 Cb 0.13 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 4hbi h LYS 137 CO -0.01 0.94 -0.12 1.25 -0.57 0.00 0.00 179.45 180.94 4hbi h LEU 138 N 0.53 0.69 -1.61 2.94 5.85 -1.08 -2.73 115.31 119.90 4hbi h LEU 138 Ca 0.04 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 4hbi h LEU 138 Cb 0.94 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 4hbi h LEU 138 CO 0.09 0.92 0.04 0.58 -0.34 0.00 0.00 178.44 179.73 4hbi h VAL 139 N 0.46 1.11 0.00 1.05 2.07 -1.10 -1.11 116.25 118.72 4hbi h VAL 139 Ca 0.08 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 4hbi h VAL 139 Cb 0.64 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 4hbi h VAL 139 CO 0.04 0.14 -0.19 0.00 0.02 0.00 0.00 177.57 177.58 4hbi h ALA 140 N 1.76 1.40 -0.52 1.67 0.00 -0.81 -0.31 119.26 122.45 4hbi h ALA 140 Ca 0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 4hbi h ALA 140 Cb 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 4hbi h ALA 140 CO -0.00 0.23 -0.05 0.28 0.00 0.00 0.00 179.25 179.71 4hbi h VAL 141 N 0.00 1.27 -0.26 0.00 2.07 -0.98 -1.81 116.25 116.54 4hbi h VAL 141 Ca -0.00 -1.18 -0.14 0.00 0.82 0.00 0.00 66.70 66.21 4hbi h VAL 141 Cb 0.40 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 4hbi h VAL 141 CO 0.02 0.41 -0.37 0.58 0.02 0.00 0.00 177.57 178.24 4hbi h VAL 142 N 0.83 1.30 -0.93 2.57 2.07 -1.36 -2.98 116.25 117.76 4hbi h VAL 142 Ca 0.14 -1.56 0.12 0.00 0.82 0.00 0.00 66.70 66.22 4hbi h VAL 142 Cb 0.60 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 4hbi h VAL 142 CO 0.04 0.50 0.60 1.56 0.02 0.00 0.00 177.57 180.28 4hbi h GLN 143 N 0.45 0.85 0.00 1.57 4.20 -0.96 -0.63 115.11 120.59 4hbi h GLN 143 Ca 0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.69 4hbi h GLN 143 Cb 0.96 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.55 4hbi h GLN 143 CO 0.09 0.56 0.00 0.00 -0.67 0.00 0.00 178.83 178.81 4hbi h ALA 144 N 1.56 1.00 -0.01 3.87 0.00 -1.16 -2.32 119.26 122.20 4hbi h ALA 144 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 4hbi h ALA 144 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 4hbi h ALA 144 CO -0.22 0.00 -0.48 0.00 0.00 0.00 0.00 179.25 178.56 4hbi n ALA 145 N -2.03 3.55 1.49 0.00 0.00 -0.26 -4.19 120.51 119.07 4hbi n ALA 145 Ca -0.00 -0.47 0.14 0.00 0.00 0.00 0.00 53.44 53.11 4hbi n ALA 145 Cb 0.21 -1.01 0.52 0.00 0.00 0.00 0.00 19.45 19.17 4hbi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78