#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 1.25 -0.87 0.44 2.07 -1.86 -3.01 116.25 114.27 4hbi h VAL 3 Ca 0.00 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.58 4hbi h VAL 3 Cb 0.00 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 4hbi h VAL 3 CO 0.00 0.36 0.57 1.88 0.02 0.00 0.00 177.57 180.40 4hbi h TYR 4 N 0.92 1.05 -0.41 1.57 0.05 -1.96 -0.33 116.97 117.86 4hbi h TYR 4 Ca 0.19 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.88 4hbi h TYR 4 Cb 0.40 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 4hbi h TYR 4 CO 0.03 0.61 -0.20 -0.44 -1.05 0.00 0.00 178.16 177.10 4hbi h ASP 5 N 1.09 0.81 0.19 3.88 5.19 -1.98 -1.44 116.42 124.17 4hbi h ASP 5 Ca 0.35 -0.29 -0.18 0.00 -0.62 0.00 0.00 57.03 56.29 4hbi h ASP 5 Cb 0.03 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.31 4hbi h ASP 5 CO -0.10 1.00 -0.70 0.00 -3.12 0.00 0.00 179.24 176.31 4hbi h ALA 6 N 1.06 0.60 0.00 3.45 0.00 -1.42 -2.94 119.26 120.01 4hbi h ALA 6 Ca 0.10 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 4hbi h ALA 6 Cb 0.72 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 4hbi h ALA 6 CO 0.06 0.74 -0.15 0.00 0.00 0.00 0.00 179.25 179.90 4hbi h ALA 7 N 0.92 1.65 0.00 0.00 0.00 -0.82 -1.78 119.26 119.23 4hbi h ALA 7 Ca -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 4hbi h ALA 7 Cb 1.27 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 4hbi h ALA 7 CO 0.12 0.19 -0.01 0.00 0.00 0.00 0.00 179.25 179.55 4hbi h ALA 8 N 1.85 1.15 0.00 0.00 0.00 -1.07 -1.20 119.26 119.99 4hbi h ALA 8 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 4hbi h ALA 8 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 4hbi h ALA 8 CO 0.02 0.02 0.00 0.94 0.00 0.00 0.00 179.25 180.23 4hbi n GLN 9 N -3.31 0.17 -2.81 0.00 -0.06 -0.67 -4.34 117.38 106.36 4hbi n GLN 9 Ca -0.02 0.25 -0.43 0.00 -2.00 0.00 0.00 57.00 54.80 4hbi n GLN 9 Cb 0.12 -1.75 -0.02 0.00 -4.06 0.00 0.00 30.24 24.53 4hbi n GLN 9 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 4hbi s LEU 10 N -4.11 4.55 0.81 1.69 1.43 -0.45 -4.95 118.68 117.65 4hbi s LEU 10 Ca 0.09 -2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 51.08 4hbi s LEU 10 Cb 0.12 -2.46 0.10 0.00 0.03 0.00 0.00 46.19 43.99 4hbi s LEU 10 CO 0.48 -1.16 1.16 0.42 0.23 0.00 0.00 176.35 177.48 4hbi s THR 11 N 3.30 2.08 0.27 5.49 -4.23 -1.26 -4.81 115.64 116.48 4hbi s THR 11 Ca 0.39 -0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 4hbi s THR 11 Cb -0.03 -2.98 0.26 0.00 1.34 0.00 0.00 72.50 71.09 4hbi s THR 11 CO -0.08 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.77 4hbi h ALA 12 N -1.05 1.38 -0.12 3.99 0.00 -1.96 -1.26 119.26 120.23 4hbi h ALA 12 Ca -0.45 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 4hbi h ALA 12 Cb 1.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 4hbi h ALA 12 CO 0.57 -0.06 -0.66 -0.44 0.00 0.00 0.00 179.25 178.67 4hbi h ASP 13 N 0.68 0.54 -0.11 0.00 3.32 -1.99 -2.27 116.42 116.59 4hbi h ASP 13 Ca 0.49 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 4hbi h ASP 13 Cb 0.70 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 4hbi h ASP 13 CO -0.36 1.05 0.05 0.58 -1.72 0.00 0.00 179.24 178.84 4hbi h VAL 14 N 0.33 1.12 -0.89 -1.35 2.07 -1.76 -1.50 116.25 114.28 4hbi h VAL 14 Ca -0.02 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.16 4hbi h VAL 14 Cb 1.22 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 4hbi h VAL 14 CO 0.12 0.11 0.59 0.11 0.02 0.00 0.00 177.57 178.51 4hbi h LYS 15 N 0.04 1.18 -0.37 1.57 1.57 -1.21 -0.57 116.57 118.78 4hbi h LYS 15 Ca 0.04 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 4hbi h LYS 15 Cb 0.13 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 4hbi h LYS 15 CO -0.00 0.79 0.19 -0.22 -0.57 0.00 0.00 179.45 179.63 4hbi h LYS 16 N 1.21 0.52 -0.58 3.15 1.63 -1.12 -0.30 116.57 121.09 4hbi h LYS 16 Ca 0.33 -0.07 -0.09 0.00 -0.85 0.00 0.00 60.65 59.97 4hbi h LYS 16 Cb -0.13 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.38 4hbi h LYS 16 CO -0.07 0.45 0.01 -0.44 -3.45 0.00 0.00 179.45 175.95 4hbi h ASP 17 N 0.46 0.97 -0.19 4.20 3.32 -0.77 -0.54 116.42 123.87 4hbi h ASP 17 Ca 0.13 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 4hbi h ASP 17 Cb 0.09 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 4hbi h ASP 17 CO -0.02 1.02 0.11 -0.07 -1.72 0.00 0.00 179.24 178.56 4hbi h LEU 18 N 0.91 0.24 -0.64 1.55 3.38 -0.86 -0.71 115.31 119.19 4hbi h LEU 18 Ca 0.17 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 4hbi h LEU 18 Cb 0.52 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 4hbi h LEU 18 CO 0.03 0.24 0.12 0.03 0.09 0.00 0.00 178.44 178.95 4hbi h ARG 19 N 0.21 1.04 -0.38 1.13 3.08 -0.84 -0.07 114.38 118.56 4hbi h ARG 19 Ca 0.07 -0.27 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 4hbi h ARG 19 Cb 0.05 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 4hbi h ARG 19 CO -0.01 0.96 -0.18 -0.44 -1.07 0.00 0.00 179.97 179.23 4hbi h ASP 20 N 0.96 0.81 0.02 7.04 3.32 -0.96 -1.69 116.42 125.92 4hbi h ASP 20 Ca 0.20 -0.40 -0.14 0.00 0.02 0.00 0.00 57.03 56.70 4hbi h ASP 20 Cb 0.41 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 4hbi h ASP 20 CO 0.01 1.03 -0.48 0.77 -1.72 0.00 0.00 179.24 178.85 4hbi h SER 21 N 0.58 0.57 -0.11 6.45 4.64 -1.03 -2.93 113.55 121.72 4hbi h SER 21 Ca 0.09 -0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 61.09 4hbi h SER 21 Cb 0.72 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 4hbi h SER 21 CO 0.05 0.96 -0.03 -0.25 -0.87 0.00 0.00 176.83 176.70 4hbi h TRP 22 N 0.42 0.35 -0.96 4.77 2.91 -0.85 -0.02 115.95 122.56 4hbi h TRP 22 Ca 0.02 -0.03 0.19 0.00 1.13 0.00 0.00 58.89 60.21 4hbi h TRP 22 Cb 1.00 -0.10 -0.09 0.00 -0.51 0.00 0.00 29.16 29.45 4hbi h TRP 22 CO 0.04 0.38 0.61 0.87 -1.03 0.00 0.00 178.44 179.31 4hbi h LYS 23 N 0.33 0.58 0.00 2.65 1.57 -1.11 0.12 116.57 120.72 4hbi h LYS 23 Ca 0.08 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 4hbi h LYS 23 Cb 0.27 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 4hbi h LYS 23 CO 0.01 0.38 -0.64 0.28 -0.57 0.00 0.00 179.45 178.91 4hbi h VAL 24 N 0.60 0.30 -0.58 0.50 2.07 -1.46 -3.35 116.25 114.33 4hbi h VAL 24 Ca 0.52 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.73 4hbi h VAL 24 Cb 1.03 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 4hbi h VAL 24 CO -0.27 0.10 0.32 0.40 0.02 0.00 0.00 177.57 178.14 4hbi h ILE 25 N -1.00 0.98 0.00 4.57 1.08 -0.90 -1.23 117.51 121.01 4hbi h ILE 25 Ca -0.09 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 4hbi h ILE 25 Cb 0.69 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 4hbi h ILE 25 CO -0.06 0.11 0.00 0.61 -0.69 0.00 0.00 178.15 178.12 4hbi n GLY 26 N -1.26 -0.81 0.14 5.37 0.00 0.41 -3.05 105.19 105.99 4hbi n GLY 26 Ca 0.06 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.09 4hbi n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 4hbi n SER 27 N -1.09 0.60 -3.42 1.61 3.41 -0.46 -4.07 113.62 110.20 4hbi n SER 27 Ca 0.15 -0.60 -0.28 0.00 -0.26 0.00 0.00 58.87 57.88 4hbi n SER 27 Cb 0.11 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 4hbi n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 4hbi s ASP 28 N -2.53 1.97 0.17 4.04 2.15 -1.17 -5.00 116.67 116.29 4hbi s ASP 28 Ca 0.26 -2.75 -0.08 0.00 0.43 0.00 0.00 52.55 50.41 4hbi s ASP 28 Cb 0.20 -0.42 0.03 0.00 -0.30 0.00 0.00 42.92 42.43 4hbi s ASP 28 CO 0.50 -0.22 1.52 0.11 -0.17 0.00 0.00 175.17 176.91 4hbi h LYS 29 N 6.14 0.85 0.05 4.34 1.57 -1.77 -1.55 116.57 126.20 4hbi h LYS 29 Ca 0.19 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 4hbi h LYS 29 Cb 0.93 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.25 4hbi h LYS 29 CO 0.33 1.07 -0.03 -0.22 -0.57 0.00 0.00 179.45 180.04 4hbi h LYS 30 N 0.70 -0.07 0.18 3.15 3.64 -1.92 -0.34 116.57 121.91 4hbi h LYS 30 Ca 0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 4hbi h LYS 30 Cb 0.94 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 4hbi h LYS 30 CO 0.09 0.15 -0.09 0.78 -2.27 0.00 0.00 179.45 178.11 4hbi h GLY 31 N -0.29 -0.26 1.89 5.01 0.00 -1.97 -1.57 103.07 105.89 4hbi h GLY 31 Ca -0.01 0.10 -0.16 0.00 0.00 0.00 0.00 47.33 47.25 4hbi h GLY 31 CO 0.01 -0.09 -0.75 3.43 0.00 0.00 0.00 176.54 179.14 4hbi h ASN 32 N -0.42 0.13 -0.05 0.19 2.35 -1.37 -1.58 115.58 114.83 4hbi h ASN 32 Ca -0.03 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 4hbi h ASN 32 Cb 0.32 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 4hbi h ASN 32 CO 0.04 0.83 0.02 1.23 -1.65 0.00 0.00 177.43 177.90 4hbi h GLY 33 N 1.95 0.07 1.02 2.83 0.00 -1.02 -1.07 103.07 106.85 4hbi h GLY 33 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 4hbi h GLY 33 CO 0.11 0.03 0.16 -2.08 0.00 0.00 0.00 176.54 174.76 4hbi h VAL 34 N -0.03 1.25 -0.96 4.60 2.07 -1.22 -2.20 116.25 119.77 4hbi h VAL 34 Ca 0.02 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.66 4hbi h VAL 34 Cb 0.10 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 4hbi h VAL 34 CO -0.00 0.34 0.64 0.00 0.02 0.00 0.00 177.57 178.56 4hbi h ALA 35 N 1.05 1.33 -0.09 1.67 0.00 -1.07 0.89 119.26 123.04 4hbi h ALA 35 Ca 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 4hbi h ALA 35 Cb 0.34 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 4hbi h ALA 35 CO 0.00 0.60 0.05 -0.07 0.00 0.00 0.00 179.25 179.84 4hbi h LEU 36 N 1.28 0.11 -0.39 0.00 3.38 -0.83 -1.27 115.31 117.59 4hbi h LEU 36 Ca 0.36 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 4hbi h LEU 36 Cb -0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 4hbi h LEU 36 CO -0.09 0.12 0.03 0.24 0.09 0.00 0.00 178.44 178.83 4hbi h MET 37 N 0.08 0.66 0.00 1.13 2.86 -0.89 -0.54 114.93 118.24 4hbi h MET 37 Ca 0.03 -0.19 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 4hbi h MET 37 Cb 0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 4hbi h MET 37 CO -0.01 0.74 -0.40 1.79 1.06 0.00 0.00 176.91 180.09 4hbi h THR 38 N 0.49 0.96 -0.17 2.22 1.35 -0.79 -1.75 112.91 115.23 4hbi h THR 38 Ca 0.11 -1.56 -0.18 0.00 -0.55 0.00 0.00 66.41 64.23 4hbi h THR 38 Cb 0.42 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 4hbi h THR 38 CO 0.01 0.39 -0.64 0.74 -0.25 0.00 0.00 175.52 175.77 4hbi h THR 39 N 0.00 1.32 -0.30 6.82 2.02 -0.97 -1.84 112.91 119.96 4hbi h THR 39 Ca -0.00 -1.90 -0.00 0.00 0.77 0.00 0.00 66.41 65.27 4hbi h THR 39 Cb 0.90 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 4hbi h THR 39 CO 0.05 0.59 0.18 0.25 0.37 0.00 0.00 175.52 176.97 4hbi h LEU 40 N 0.46 0.36 -1.03 2.58 5.85 -0.55 -0.74 115.31 122.25 4hbi h LEU 40 Ca -0.01 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 4hbi h LEU 40 Cb 1.22 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 4hbi h LEU 40 CO 0.12 0.30 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.12 4hbi h PHE 41 N 0.38 0.58 -0.16 1.25 0.04 -1.31 0.11 116.94 117.84 4hbi h PHE 41 Ca 0.11 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 4hbi h PHE 41 Cb 0.01 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 4hbi h PHE 41 CO -0.04 0.65 -0.17 0.00 -0.60 0.00 0.00 178.31 178.15 4hbi h ALA 42 N 1.36 0.24 0.00 2.45 0.00 -1.06 -2.94 119.26 119.31 4hbi h ALA 42 Ca 0.09 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 4hbi h ALA 42 Cb 0.53 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 4hbi h ALA 42 CO 0.03 0.15 -0.86 -0.44 0.00 0.00 0.00 179.25 178.13 4hbi h ASP 43 N 0.04 0.00 -2.27 0.00 3.32 -0.97 -3.38 116.42 113.17 4hbi h ASP 43 Ca 0.02 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.49 4hbi h ASP 43 Cb 0.72 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.87 4hbi h ASP 43 CO 0.04 0.80 -0.94 0.59 -1.72 0.00 0.00 179.24 178.01 4hbi n ASN 44 N -3.28 0.65 -0.19 6.45 4.13 0.38 -4.99 115.26 118.42 4hbi n ASN 44 Ca -0.00 -2.72 0.26 0.00 1.68 0.00 0.00 54.58 53.80 4hbi n ASN 44 Cb 0.87 -0.62 0.66 0.00 -1.54 0.00 0.00 39.78 39.15 4hbi n ASN 44 CO 0.00 0.00 0.00 0.06 0.28 0.00 0.00 177.26 177.60 4hbi h GLN 45 N 4.76 0.11 0.00 3.52 3.07 -1.70 -1.17 115.11 123.70 4hbi h GLN 45 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.89 4hbi h GLN 45 Cb 0.85 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.39 4hbi h GLN 45 CO 0.50 0.07 -0.04 1.05 0.09 0.00 0.00 178.83 180.51 4hbi h GLU 46 N 0.11 0.00 0.00 0.06 9.09 -1.92 -2.21 114.58 119.71 4hbi h GLU 46 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 4hbi h GLU 46 Cb 1.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.64 4hbi h GLU 46 CO -0.06 0.04 0.00 1.79 0.05 0.00 0.00 179.01 180.83 4hbi h THR 47 N 0.00 0.00 0.00 -1.06 1.35 -1.55 -2.44 112.91 109.21 4hbi h THR 47 Ca -0.00 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 4hbi h THR 47 Cb 0.21 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.81 4hbi h THR 47 CO 0.00 0.00 -0.03 0.40 -0.25 0.00 0.00 175.52 175.64 4hbi h ILE 48 N 0.00 0.44 -0.84 6.82 2.04 -1.60 -1.78 117.51 122.60 4hbi h ILE 48 Ca 0.00 -0.15 0.19 0.00 1.00 0.00 0.00 64.86 65.91 4hbi h ILE 48 Cb 0.39 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 4hbi h ILE 48 CO 0.00 0.03 0.56 1.23 0.00 0.00 0.00 178.15 179.97 4hbi h GLY 49 N 0.26 0.64 1.98 5.37 0.00 -1.65 0.68 103.07 110.36 4hbi h GLY 49 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 4hbi h GLY 49 CO 0.00 0.01 -0.01 -1.72 0.00 0.00 0.00 176.54 174.83 4hbi n TYR 50 N -4.46 0.13 -1.67 5.60 4.01 -0.67 -4.16 117.16 115.95 4hbi n TYR 50 Ca 0.17 0.04 -0.06 0.00 -0.16 0.00 0.00 57.90 57.89 4hbi n TYR 50 Cb 0.69 -0.56 0.15 0.00 -0.31 0.00 0.00 39.34 39.31 4hbi n TYR 50 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 4hbi n PHE 51 N -1.61 1.14 -0.03 -0.72 3.72 0.23 -4.74 117.46 115.46 4hbi n PHE 51 Ca 0.07 -1.79 0.10 0.00 -0.05 0.00 0.00 57.45 55.78 4hbi n PHE 51 Cb 0.35 -0.39 0.50 0.00 -0.94 0.00 0.00 39.48 39.00 4hbi n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 4hbi h LYS 52 N 1.35 0.39 0.00 -1.08 3.64 -1.72 -0.98 116.57 118.17 4hbi h LYS 52 Ca 0.18 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 4hbi h LYS 52 Cb 1.31 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 4hbi h LYS 52 CO 0.37 0.26 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.64 4hbi h ARG 53 N 0.40 0.00 0.00 1.90 2.43 -1.94 -1.60 114.38 115.58 4hbi h ARG 53 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 4hbi h ARG 53 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 4hbi h ARG 53 CO -0.05 0.08 0.00 1.28 -1.51 0.00 0.00 179.97 179.76 4hbi n LEU 54 N -4.25 0.74 0.00 3.80 4.32 -0.37 -4.97 117.00 116.26 4hbi n LEU 54 Ca -0.03 0.66 0.00 0.00 -0.02 0.00 0.00 56.01 56.62 4hbi n LEU 54 Cb 0.16 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 4hbi n LEU 54 CO 0.33 -0.50 0.00 0.61 -1.22 0.00 0.00 177.39 176.61 4hbi n GLY 55 N 0.27 0.81 3.44 -0.72 0.00 -0.60 -4.56 105.19 103.82 4hbi n GLY 55 Ca 0.03 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 4hbi n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4hbi n ASP 56 N 5.71 4.92 0.15 1.61 9.92 -1.26 -4.81 116.55 132.78 4hbi n ASP 56 Ca 0.00 -2.94 0.09 0.00 -0.53 0.00 0.00 54.79 51.41 4hbi n ASP 56 Cb 0.00 -1.68 0.46 0.00 -0.64 0.00 0.00 41.12 39.25 4hbi n ASP 56 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 4hbi n VAL 57 N 5.69 0.92 0.30 2.53 0.24 -1.26 -1.46 118.33 125.29 4hbi n VAL 57 Ca 0.46 0.72 0.17 0.00 -2.04 0.00 0.00 64.34 63.65 4hbi n VAL 57 Cb 0.44 -1.72 0.80 0.00 -1.47 0.00 0.00 33.84 31.89 4hbi n VAL 57 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 4hbi h SER 58 N 0.00 0.00 0.86 -1.34 4.64 -1.99 -2.73 113.55 112.99 4hbi h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 4hbi h SER 58 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 4hbi h SER 58 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 4hbi n GLN 59 N -2.81 0.04 0.00 4.77 6.02 -0.54 -4.96 117.38 119.91 4hbi n GLN 59 Ca -0.01 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 4hbi n GLN 59 Cb 0.18 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.88 4hbi n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 4hbi n GLY 60 N 0.85 3.40 0.42 1.08 0.00 -1.03 -2.15 105.19 107.76 4hbi n GLY 60 Ca 0.05 -0.04 0.22 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 0.29 0.00 1.61 1.85 -1.92 -0.82 114.93 115.94 4hbi h MET 61 Ca 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 4hbi h MET 61 Cb 0.00 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 31.96 4hbi h MET 61 CO 0.00 0.19 0.00 0.00 -0.40 0.00 0.00 176.91 176.70 4hbi h ALA 62 N 1.60 1.00 -1.78 0.39 0.00 -1.85 -3.42 119.26 115.20 4hbi h ALA 62 Ca 0.47 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.81 4hbi h ALA 62 Cb 1.34 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 4hbi h ALA 62 CO -0.14 0.00 0.94 1.21 0.00 0.00 0.00 179.25 181.26 4hbi s ASN 63 N -5.26 6.63 0.22 0.00 3.04 -0.31 -4.93 114.94 114.33 4hbi s ASN 63 Ca 0.05 0.67 -0.08 0.00 0.04 0.00 0.00 52.86 53.53 4hbi s ASN 63 Cb 0.09 -2.55 0.23 0.00 -1.54 0.00 0.00 41.25 37.48 4hbi s ASN 63 CO 0.55 -1.22 1.85 0.44 -3.04 0.00 0.00 177.10 175.69 4hbi h ASP 64 N 9.30 0.79 -0.51 -4.21 3.32 -1.86 -0.46 116.42 122.78 4hbi h ASP 64 Ca -0.24 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 4hbi h ASP 64 Cb 1.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 4hbi h ASP 64 CO 1.10 0.53 0.19 0.11 -1.72 0.00 0.00 179.24 179.46 4hbi h LYS 65 N 0.93 0.76 -0.54 3.56 1.57 -1.92 0.42 116.57 121.35 4hbi h LYS 65 Ca 0.31 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 4hbi h LYS 65 Cb 0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 4hbi h LYS 65 CO -0.12 0.68 0.06 1.25 -0.57 0.00 0.00 179.45 180.75 4hbi h LEU 66 N 0.68 0.88 -0.56 2.94 5.85 -1.72 -0.91 115.31 122.47 4hbi h LEU 66 Ca 0.17 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 4hbi h LEU 66 Cb 0.21 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 4hbi h LEU 66 CO -0.01 0.94 0.23 -0.09 -0.34 0.00 0.00 178.44 179.16 4hbi h ARG 67 N 0.80 0.84 -0.33 1.25 2.43 -0.91 0.63 114.38 119.10 4hbi h ARG 67 Ca 0.16 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 4hbi h ARG 67 Cb 0.44 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 4hbi h ARG 67 CO 0.02 0.72 0.18 0.78 -1.51 0.00 0.00 179.97 180.16 4hbi h GLY 68 N 0.77 0.45 0.98 2.80 0.00 -0.76 -1.26 103.07 106.05 4hbi h GLY 68 Ca 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 4hbi h GLY 68 CO -0.02 0.11 0.26 0.84 0.00 0.00 0.00 176.54 177.74 4hbi h HIS 69 N 0.37 0.64 -0.47 5.60 -0.00 -0.88 -2.61 115.15 117.79 4hbi h HIS 69 Ca 0.13 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.49 4hbi h HIS 69 Cb 0.02 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.20 4hbi h HIS 69 CO -0.08 0.48 0.29 0.77 -0.00 0.00 0.00 177.93 179.39 4hbi h SER 70 N 0.62 0.56 -0.54 3.26 0.02 -0.45 -0.88 113.55 116.14 4hbi h SER 70 Ca 0.16 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 4hbi h SER 70 Cb 0.05 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 4hbi h SER 70 CO -0.03 0.44 0.17 0.40 -1.14 0.00 0.00 176.83 176.67 4hbi h ILE 71 N 0.63 1.23 -0.52 3.27 2.04 -1.19 -2.72 117.51 120.26 4hbi h ILE 71 Ca 0.17 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 4hbi h ILE 71 Cb -0.03 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 4hbi h ILE 71 CO -0.03 0.29 0.04 0.40 0.00 0.00 0.00 178.15 178.84 4hbi h ILE 72 N 0.74 1.24 -0.46 -0.67 2.04 -1.19 -2.41 117.51 116.80 4hbi h ILE 72 Ca 0.17 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 65.13 4hbi h ILE 72 Cb 0.27 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 4hbi h ILE 72 CO -0.01 0.35 0.14 0.25 0.00 0.00 0.00 178.15 178.88 4hbi h LEU 73 N 0.79 0.12 -1.95 1.44 6.46 -0.95 -1.82 115.31 119.40 4hbi h LEU 73 Ca 0.16 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 4hbi h LEU 73 Cb 0.42 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 4hbi h LEU 73 CO 0.01 0.10 -0.10 0.24 -0.62 0.00 0.00 178.44 178.08 4hbi h MET 74 N 0.30 0.00 0.00 1.25 2.86 -1.13 -1.56 114.93 116.65 4hbi h MET 74 Ca 0.22 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.79 4hbi h MET 74 Cb 0.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 4hbi h MET 74 CO -0.24 0.10 -0.33 1.88 1.06 0.00 0.00 176.91 179.37 4hbi h TYR 75 N 0.00 0.00 -0.28 -0.22 0.05 -1.16 -1.07 116.97 114.29 4hbi h TYR 75 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 4hbi h TYR 75 Cb 0.20 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 4hbi h TYR 75 CO 0.00 0.33 0.03 0.00 -1.05 0.00 0.00 178.16 177.47 4hbi h ALA 76 N 1.67 0.37 -0.57 3.88 0.00 -1.05 -1.72 119.26 121.85 4hbi h ALA 76 Ca -0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 4hbi h ALA 76 Cb 1.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 4hbi h ALA 76 CO 0.04 0.09 -0.00 -0.07 0.00 0.00 0.00 179.25 179.31 4hbi h LEU 77 N 0.28 0.95 -0.50 0.00 3.38 -1.33 -1.27 115.31 116.82 4hbi h LEU 77 Ca 0.08 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.88 4hbi h LEU 77 Cb 0.38 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 4hbi h LEU 77 CO 0.01 1.01 0.12 -0.61 0.09 0.00 0.00 178.44 179.06 4hbi h GLN 78 N 0.90 0.26 -0.11 1.13 5.75 -1.13 -0.68 115.11 121.22 4hbi h GLN 78 Ca 0.16 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.66 4hbi h GLN 78 Cb 0.53 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 4hbi h GLN 78 CO 0.03 0.17 0.03 -0.97 -2.65 0.00 0.00 178.83 175.43 4hbi h ASN 79 N 0.26 0.02 -0.48 -0.69 -0.73 -0.75 -1.09 115.58 112.12 4hbi h ASN 79 Ca 0.25 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.45 4hbi h ASN 79 Cb 0.32 0.02 -0.03 0.00 0.27 0.00 0.00 38.32 38.90 4hbi h ASN 79 CO -0.31 0.03 0.29 -0.26 -0.37 0.00 0.00 177.43 176.81 4hbi h PHE 80 N 0.08 0.54 -0.59 0.67 0.04 -0.77 -1.64 116.94 115.26 4hbi h PHE 80 Ca 0.05 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.86 4hbi h PHE 80 Cb 0.04 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 37.98 4hbi h PHE 80 CO -0.11 0.31 0.37 0.82 -0.60 0.00 0.00 178.31 179.10 4hbi h ILE 81 N 0.58 1.09 0.00 -0.55 1.08 -0.92 -1.86 117.51 116.92 4hbi h ILE 81 Ca 0.19 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.38 4hbi h ILE 81 Cb 0.01 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 34.05 4hbi h ILE 81 CO -0.08 0.13 -0.15 0.44 -0.69 0.00 0.00 178.15 177.80 4hbi h ASP 82 N 0.73 0.00 -0.20 1.72 3.32 -0.62 -2.80 116.42 118.57 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 -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 4hbi h ASP 82 CO -0.09 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 4hbi n GLN 83 N -3.65 2.01 0.06 3.56 1.13 -0.67 -4.57 117.38 115.25 4hbi n GLN 83 Ca -0.02 -1.51 0.18 0.00 -1.94 0.00 0.00 57.00 53.72 4hbi n GLN 83 Cb 0.27 -1.45 0.70 0.00 0.11 0.00 0.00 30.24 29.87 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 3.14 0.00 -0.45 1.08 3.38 -1.34 -1.59 115.31 119.53 4hbi h LEU 84 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 4hbi h LEU 84 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 4hbi h LEU 84 CO 0.00 0.00 -0.22 0.47 0.09 0.00 0.00 178.44 178.78 4hbi n ASP 85 N -4.30 0.93 -3.80 -0.43 8.00 -1.26 -4.45 116.55 111.22 4hbi n ASP 85 Ca 0.07 -0.84 -0.30 0.00 0.71 0.00 0.00 54.79 54.43 4hbi n ASP 85 Cb 0.51 0.09 -0.14 0.00 -0.02 0.00 0.00 41.12 41.56 4hbi n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 4hbi s ASN 86 N -2.49 3.99 0.43 -2.24 3.84 -0.60 -4.99 114.94 112.89 4hbi s ASN 86 Ca 0.25 -2.50 0.25 0.00 0.21 0.00 0.00 52.86 51.07 4hbi s ASN 86 Cb 0.19 -1.21 1.28 0.00 -0.55 0.00 0.00 41.25 40.96 4hbi s ASN 86 CO 0.51 -0.30 1.73 -0.65 -2.79 0.00 0.00 177.10 175.60 4hbi h PRO 87 N 6.99 0.23 -0.48 0.43 0.11 -1.78 0.36 132.00 137.87 4hbi h PRO 87 Ca -0.05 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.95 4hbi h PRO 87 Cb 0.94 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 4hbi h PRO 87 CO 0.53 0.15 -0.08 -0.44 -0.21 0.00 0.00 178.00 177.96 4hbi h ASP 88 N 0.24 0.84 0.14 -2.05 3.32 -1.94 -0.91 116.42 116.06 4hbi h ASP 88 Ca 0.66 -0.25 -0.31 0.00 0.02 0.00 0.00 57.03 57.16 4hbi h ASP 88 Cb 1.98 -0.23 0.03 0.00 0.22 0.00 0.00 39.33 41.34 4hbi h ASP 88 CO -0.28 0.95 -1.28 0.44 -1.72 0.00 0.00 179.24 177.34 4hbi h ASP 89 N 0.78 0.88 -0.33 6.45 3.32 -1.29 -2.45 116.42 123.78 4hbi h ASP 89 Ca 0.13 -0.83 0.04 0.00 0.02 0.00 0.00 57.03 56.40 4hbi h ASP 89 Cb 0.57 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 4hbi h ASP 89 CO 0.04 1.63 0.08 0.25 -1.72 0.00 0.00 179.24 179.52 4hbi h LEU 90 N 0.26 0.05 -0.45 1.55 5.85 -1.16 -1.25 115.31 120.17 4hbi h LEU 90 Ca -0.20 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 4hbi h LEU 90 Cb 1.95 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 43.02 4hbi h LEU 90 CO 0.24 0.07 0.14 0.58 -0.34 0.00 0.00 178.44 179.13 4hbi h VAL 91 N 0.21 1.22 0.00 1.05 2.07 -1.19 -0.37 116.25 119.24 4hbi h VAL 91 Ca 0.15 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 4hbi h VAL 91 Cb 0.15 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 4hbi h VAL 91 CO -0.18 0.27 -0.43 0.00 0.02 0.00 0.00 177.57 177.25 4hbi h VAL 93 N 0.00 1.35 -0.30 0.00 2.07 -0.96 -2.23 116.25 116.17 4hbi h VAL 93 Ca -0.00 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 4hbi h VAL 93 Cb 0.78 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 4hbi h VAL 93 CO 0.06 0.39 0.11 0.58 0.02 0.00 0.00 177.57 178.72 4hbi h VAL 94 N -0.01 1.19 -0.82 2.57 2.07 -0.84 -0.76 116.25 119.66 4hbi h VAL 94 Ca 0.02 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 4hbi h VAL 94 Cb 0.69 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 4hbi h VAL 94 CO 0.04 0.20 0.49 -0.33 0.02 0.00 0.00 177.57 177.99 4hbi h GLU 95 N 0.34 1.11 -0.19 1.57 5.08 -1.19 -0.37 114.58 120.93 4hbi h GLU 95 Ca 0.10 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 4hbi h GLU 95 Cb 0.21 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 4hbi h GLU 95 CO -0.01 0.78 0.02 -0.22 -1.00 0.00 0.00 179.01 178.58 4hbi h LYS 96 N 1.12 0.32 -0.88 2.33 1.63 -1.19 -2.95 116.57 116.96 4hbi h LYS 96 Ca 0.29 -0.09 0.10 0.00 -0.85 0.00 0.00 60.65 60.10 4hbi h LYS 96 Cb -0.04 -0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.47 4hbi h LYS 96 CO -0.05 0.50 0.52 0.35 -3.45 0.00 0.00 179.45 177.31 4hbi h PHE 97 N 0.10 0.94 -0.08 1.91 3.04 -0.82 -2.84 116.94 119.18 4hbi h PHE 97 Ca 0.06 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 4hbi h PHE 97 Cb 0.35 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 4hbi h PHE 97 CO 0.03 0.37 -0.12 0.00 -2.02 0.00 0.00 178.31 176.57 4hbi h ALA 98 N 1.48 1.66 -0.39 2.41 0.00 -0.90 -3.31 119.26 120.22 4hbi h ALA 98 Ca 0.43 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.26 4hbi h ALA 98 Cb 0.40 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 4hbi h ALA 98 CO -0.26 0.25 -0.33 0.28 0.00 0.00 0.00 179.25 179.19 4hbi h VAL 99 N 0.12 0.22 0.00 0.00 2.07 -1.44 0.17 116.25 117.38 4hbi h VAL 99 Ca 0.03 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 4hbi h VAL 99 Cb 0.28 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 4hbi h VAL 99 CO 0.02 0.00 -0.36 0.78 0.02 0.00 0.00 177.57 178.03 4hbi h ASN 100 N -0.27 0.00 0.19 0.57 2.35 -1.77 -1.78 115.58 114.87 4hbi h ASN 100 Ca 0.17 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.72 4hbi h ASN 100 Cb 0.54 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 4hbi h ASN 100 CO -0.53 0.36 -0.75 0.45 -1.65 0.00 0.00 177.43 175.31 4hbi h HIS 101 N 0.00 0.65 -0.50 1.19 3.86 -1.35 -2.01 115.15 116.99 4hbi h HIS 101 Ca -0.00 -0.29 -0.09 0.00 -1.16 0.00 0.00 60.37 58.82 4hbi h HIS 101 Cb 0.69 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 4hbi h HIS 101 CO 0.00 1.06 -0.06 0.82 0.86 0.00 0.00 177.93 180.62 4hbi h ILE 102 N 0.32 1.27 -0.39 2.45 2.04 -0.59 -1.83 117.51 120.77 4hbi h ILE 102 Ca -0.04 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 4hbi h ILE 102 Cb 1.34 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 4hbi h ILE 102 CO 0.13 0.41 0.17 0.74 0.00 0.00 0.00 178.15 179.61 4hbi h THR 103 N 0.77 1.14 0.00 -0.27 2.02 -1.21 0.34 112.91 115.70 4hbi h THR 103 Ca 0.13 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.89 4hbi h THR 103 Cb 0.59 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 4hbi h THR 103 CO 0.04 0.17 0.00 0.54 0.37 0.00 0.00 175.52 176.64 4hbi n ARG 104 N -4.40 0.89 -3.57 6.66 1.74 -0.77 -4.88 116.66 112.33 4hbi n ARG 104 Ca 0.03 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.88 4hbi n ARG 104 Cb 0.13 -1.39 0.08 0.00 -1.02 0.00 0.00 32.46 30.26 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 -0.89 -7.79 -3.14 5.56 5.02 0.11 -4.96 118.16 112.07 4hbi n LYS 105 Ca 0.17 0.83 -0.42 0.00 -2.02 0.00 0.00 58.31 56.86 4hbi n LYS 105 Cb 0.08 -5.87 -0.07 0.00 -0.02 0.00 0.00 35.03 29.15 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 -3.32 4.89 0.87 -0.18 1.01 -0.74 -5.04 121.20 118.70 4hbi s ILE 106 Ca 0.51 0.31 -0.12 0.00 0.00 0.00 0.00 60.65 61.35 4hbi s ILE 106 Cb -0.22 -4.11 0.11 0.00 0.01 0.00 0.00 42.46 38.25 4hbi s ILE 106 CO 0.73 -0.42 1.15 -0.94 0.00 0.00 0.00 174.94 175.46 4hbi s SER 107 N 1.87 3.91 0.31 3.58 1.04 -1.26 -4.60 113.70 118.56 4hbi s SER 107 Ca 0.22 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.58 4hbi s SER 107 Cb -0.15 -1.49 0.51 0.00 0.10 0.00 0.00 66.02 64.99 4hbi s SER 107 CO 0.16 -2.29 1.91 0.00 0.98 0.00 0.00 173.24 174.00 4hbi h ALA 108 N -1.32 1.37 -0.31 5.32 0.00 -1.84 -1.42 119.26 121.06 4hbi h ALA 108 Ca -0.49 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 4hbi h ALA 108 Cb 1.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 4hbi h ALA 108 CO 0.63 0.49 -0.05 0.00 0.00 0.00 0.00 179.25 180.32 4hbi h ALA 109 N 1.47 0.42 -0.46 0.00 0.00 -1.94 -0.86 119.26 117.89 4hbi h ALA 109 Ca 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 4hbi h ALA 109 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 4hbi h ALA 109 CO -0.02 0.22 0.23 1.49 0.00 0.00 0.00 179.25 181.16 4hbi h GLU 110 N 0.35 0.66 -0.82 0.00 4.57 -1.88 -2.45 114.58 115.00 4hbi h GLU 110 Ca 0.08 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 4hbi h GLU 110 Cb 0.52 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 4hbi h GLU 110 CO 0.03 0.55 0.44 0.35 -1.18 0.00 0.00 179.01 179.20 4hbi h PHE 111 N 0.60 1.14 0.00 0.92 3.57 -1.17 -1.67 116.94 120.33 4hbi h PHE 111 Ca 0.16 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 4hbi h PHE 111 Cb 0.10 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.48 4hbi h PHE 111 CO -0.01 0.79 0.09 0.78 -2.23 0.00 0.00 178.31 177.73 4hbi h GLY 112 N 1.18 0.00 2.00 2.40 0.00 -0.66 -1.76 103.07 106.23 4hbi h GLY 112 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 4hbi h GLY 112 CO -0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.78 4hbi n LYS 113 N -2.85 0.13 0.11 4.80 5.02 -0.63 -1.80 118.16 122.94 4hbi n LYS 113 Ca -0.02 0.52 0.12 0.00 -2.02 0.00 0.00 58.31 56.91 4hbi n LYS 113 Cb 0.14 -1.83 0.46 0.00 -0.02 0.00 0.00 35.03 33.78 4hbi n LYS 113 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 4hbi n ILE 114 N -2.09 0.71 -0.22 -0.18 0.13 -0.66 -3.75 119.36 113.30 4hbi n ILE 114 Ca 0.00 0.04 -0.09 0.00 -1.10 0.00 0.00 62.75 61.60 4hbi n ILE 114 Cb 0.10 -0.91 0.03 0.00 -0.84 0.00 0.00 39.64 38.01 4hbi n ILE 114 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 4hbi h ASN 115 N 0.00 1.01 0.32 9.51 -0.26 -1.60 -1.82 115.58 122.74 4hbi h ASN 115 Ca 0.00 -0.27 -0.01 0.00 -0.56 0.00 0.00 56.30 55.45 4hbi h ASN 115 Cb 0.50 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.49 4hbi h ASN 115 CO 0.00 1.03 -0.16 1.23 -1.06 0.00 0.00 177.43 178.46 4hbi h GLY 116 N 0.95 -0.46 -0.22 2.83 0.00 -1.80 -1.03 103.07 103.35 4hbi h GLY 116 Ca 0.19 0.18 0.16 0.00 0.00 0.00 0.00 47.33 47.85 4hbi h GLY 116 CO 0.02 -0.17 0.05 -2.55 0.00 0.00 0.00 176.54 173.89 4hbi h PRO 117 N -0.44 0.14 -0.23 4.80 0.11 -1.74 -1.54 132.00 133.11 4hbi h PRO 117 Ca -0.04 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 4hbi h PRO 117 Cb 0.34 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 4hbi h PRO 117 CO 0.06 0.10 0.12 0.82 -0.21 0.00 0.00 178.00 178.89 4hbi h ILE 118 N 0.15 1.12 -0.73 4.15 2.04 -1.12 -0.75 117.51 122.37 4hbi h ILE 118 Ca 0.39 -0.34 0.10 0.00 1.00 0.00 0.00 64.86 66.01 4hbi h ILE 118 Cb 0.68 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 4hbi h ILE 118 CO -0.59 0.12 0.37 0.50 0.00 0.00 0.00 178.15 178.55 4hbi h LYS 119 N 0.25 0.60 -0.35 2.37 3.64 -0.67 0.05 116.57 122.46 4hbi h LYS 119 Ca 0.08 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 4hbi h LYS 119 Cb 0.09 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 4hbi h LYS 119 CO -0.01 0.40 -0.12 0.87 -2.27 0.00 0.00 179.45 178.31 4hbi h LYS 120 N 0.62 0.70 -0.62 1.90 1.57 -0.91 -1.19 116.57 118.64 4hbi h LYS 120 Ca 0.36 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 4hbi h LYS 120 Cb 0.39 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 4hbi h LYS 120 CO -0.28 0.88 0.02 0.28 -0.57 0.00 0.00 179.45 179.78 4hbi h VAL 121 N 0.49 1.27 -0.24 0.50 2.07 -0.59 -1.48 116.25 118.26 4hbi h VAL 121 Ca 0.08 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.48 4hbi h VAL 121 Cb 0.64 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 4hbi h VAL 121 CO 0.04 0.42 0.14 -0.07 0.02 0.00 0.00 177.57 178.11 4hbi h LEU 122 N 0.99 0.22 -1.55 2.57 4.07 -0.91 -2.65 115.31 118.05 4hbi h LEU 122 Ca 0.18 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.09 4hbi h LEU 122 Cb 0.54 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 4hbi h LEU 122 CO 0.03 0.16 -0.24 0.00 -1.08 0.00 0.00 178.44 177.31 4hbi h ALA 123 N 1.11 1.46 0.00 1.53 0.00 -0.96 0.18 119.26 122.58 4hbi h ALA 123 Ca 0.09 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 4hbi h ALA 123 Cb -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 4hbi h ALA 123 CO -0.05 0.30 -0.32 0.66 0.00 0.00 0.00 179.25 179.84 4hbi h SER 124 N 0.00 0.00 -0.56 0.00 4.64 -0.91 -0.05 113.55 116.67 4hbi h SER 124 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 4hbi h SER 124 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 4hbi h SER 124 CO 0.03 0.32 0.00 0.29 -0.87 0.00 0.00 176.83 176.60 4hbi n LYS 125 N -3.83 3.45 -2.96 4.77 4.76 -0.32 -4.93 118.16 119.09 4hbi n LYS 125 Ca -0.01 -2.49 -0.19 0.00 -2.87 0.00 0.00 58.31 52.75 4hbi n LYS 125 Cb 0.40 -1.84 0.04 0.00 -1.84 0.00 0.00 35.03 31.79 4hbi n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 4hbi n ASN 126 N 0.92 -5.41 -4.53 4.39 3.02 -0.03 -5.01 115.26 108.60 4hbi n ASN 126 Ca 0.22 -0.27 -0.39 0.00 -0.03 0.00 0.00 54.58 54.11 4hbi n ASN 126 Cb 0.81 -4.22 -0.11 0.00 -0.61 0.00 0.00 39.78 35.65 4hbi n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 4hbi s PHE 127 N -3.10 3.22 0.00 3.10 0.08 -0.10 -4.95 117.98 116.23 4hbi s PHE 127 Ca 0.28 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.15 4hbi s PHE 127 Cb -0.12 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 4hbi s PHE 127 CO 0.35 -0.32 0.00 0.41 -0.10 0.00 0.00 175.22 175.56 4hbi n GLY 128 N 5.07 -0.57 0.42 4.36 0.00 -1.26 -2.78 105.19 110.43 4hbi n GLY 128 Ca -0.13 -1.71 0.22 0.00 0.00 0.00 0.00 46.02 44.40 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 0.26 -0.70 1.61 3.32 -1.97 -0.82 116.42 118.12 4hbi h ASP 129 Ca 0.00 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.12 4hbi h ASP 129 Cb 0.00 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 4hbi h ASP 129 CO 0.00 0.10 0.42 0.50 -1.72 0.00 0.00 179.24 178.54 4hbi h LYS 130 N 0.26 0.77 -0.09 3.56 3.64 -2.00 -0.92 116.57 121.79 4hbi h LYS 130 Ca 0.43 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.55 4hbi h LYS 130 Cb 1.29 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.95 4hbi h LYS 130 CO -0.11 0.51 -0.78 1.88 -2.27 0.00 0.00 179.45 178.67 4hbi h TYR 131 N 0.79 0.96 -0.87 1.91 0.05 -1.49 -2.67 116.97 115.65 4hbi h TYR 131 Ca 0.30 -0.46 0.08 0.00 0.05 0.00 0.00 58.73 58.70 4hbi h TYR 131 Cb 0.12 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 37.65 4hbi h TYR 131 CO -0.06 1.28 0.53 0.00 -1.05 0.00 0.00 178.16 178.87 4hbi h ALA 132 N 0.47 1.23 -0.21 3.88 0.00 -1.26 -1.14 119.26 122.24 4hbi h ALA 132 Ca -0.07 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.86 4hbi h ALA 132 Cb 1.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 4hbi h ALA 132 CO 0.16 0.22 0.10 -0.91 0.00 0.00 0.00 179.25 178.82 4hbi h ASN 133 N 0.93 0.14 -0.42 0.00 2.35 -1.06 -0.71 115.58 116.82 4hbi h ASN 133 Ca 0.40 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 56.17 4hbi h ASN 133 Cb 0.27 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 4hbi h ASN 133 CO -0.21 0.11 0.26 0.00 -1.65 0.00 0.00 177.43 175.94 4hbi h ALA 134 N 1.11 0.53 -0.13 -0.83 0.00 -1.08 -2.05 119.26 116.81 4hbi h ALA 134 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 4hbi h ALA 134 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 4hbi h ALA 134 CO -0.06 -0.06 -0.16 -1.49 0.00 0.00 0.00 179.25 177.48 4hbi h TRP 135 N 0.52 0.23 -0.60 0.00 4.06 -0.85 -1.62 115.95 117.69 4hbi h TRP 135 Ca 0.16 -0.03 -0.06 0.00 2.06 0.00 0.00 58.89 61.02 4hbi h TRP 135 Cb -0.02 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.05 4hbi h TRP 135 CO -0.06 0.38 0.13 0.00 -3.56 0.00 0.00 178.44 175.32 4hbi h ALA 136 N 1.64 1.09 -0.40 1.49 0.00 -0.65 -1.21 119.26 121.22 4hbi h ALA 136 Ca 0.04 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 4hbi h ALA 136 Cb 0.41 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 4hbi h ALA 136 CO 0.03 0.60 -0.08 0.87 0.00 0.00 0.00 179.25 180.66 4hbi h LYS 137 N 0.90 0.69 -0.24 0.00 1.57 -0.62 -0.51 116.57 118.36 4hbi h LYS 137 Ca 0.19 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 4hbi h LYS 137 Cb 0.35 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 4hbi h LYS 137 CO 0.00 0.76 -0.08 1.25 -0.57 0.00 0.00 179.45 180.82 4hbi h LEU 138 N 0.63 0.48 -1.47 2.94 5.85 -1.05 -2.85 115.31 119.85 4hbi h LEU 138 Ca 0.12 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.51 4hbi h LEU 138 Cb 0.52 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 4hbi h LEU 138 CO 0.03 0.75 0.42 0.58 -0.34 0.00 0.00 178.44 179.88 4hbi h VAL 139 N 0.20 1.03 0.00 1.05 2.07 -1.07 -1.88 116.25 117.66 4hbi h VAL 139 Ca 0.06 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 4hbi h VAL 139 Cb 0.55 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 4hbi h VAL 139 CO 0.03 0.12 -0.08 0.00 0.02 0.00 0.00 177.57 177.66 4hbi h ALA 140 N 1.65 1.81 -0.52 1.67 0.00 -0.86 -0.44 119.26 122.57 4hbi h ALA 140 Ca 0.27 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 4hbi h ALA 140 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 4hbi h ALA 140 CO -0.08 0.10 0.05 0.28 0.00 0.00 0.00 179.25 179.61 4hbi h VAL 141 N 0.00 1.26 -0.20 0.00 2.07 -1.22 -0.90 116.25 117.25 4hbi h VAL 141 Ca -0.00 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 4hbi h VAL 141 Cb 0.15 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 4hbi h VAL 141 CO 0.01 0.36 -0.00 0.58 0.02 0.00 0.00 177.57 178.53 4hbi h VAL 142 N 0.76 1.26 -0.63 2.57 2.07 -1.40 -2.88 116.25 117.99 4hbi h VAL 142 Ca 0.15 -0.88 0.09 0.00 0.82 0.00 0.00 66.70 66.89 4hbi h VAL 142 Cb 0.45 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 4hbi h VAL 142 CO 0.02 0.27 0.42 1.56 0.02 0.00 0.00 177.57 179.85 4hbi h GLN 143 N 0.11 0.49 0.00 1.57 4.20 -0.84 0.28 115.11 120.93 4hbi h GLN 143 Ca 0.06 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 4hbi h GLN 143 Cb 0.40 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 4hbi h GLN 143 CO 0.01 0.33 -0.15 0.00 -0.67 0.00 0.00 178.83 178.34 4hbi h ALA 144 N 1.67 1.31 -0.00 3.87 0.00 -0.96 -2.45 119.26 122.71 4hbi h ALA 144 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 4hbi h ALA 144 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 4hbi h ALA 144 CO -0.09 0.19 -0.20 0.00 0.00 0.00 0.00 179.25 179.15 4hbi n ALA 145 N -2.31 2.90 1.03 0.00 0.00 0.96 -2.86 120.51 120.23 4hbi n ALA 145 Ca -0.02 -0.25 0.12 0.00 0.00 0.00 0.00 53.44 53.29 4hbi n ALA 145 Cb 0.27 -1.30 0.13 0.00 0.00 0.00 0.00 19.45 18.55 4hbi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78