#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7hbi h VAL 3 N 0.00 1.07 -0.77 -3.33 2.07 -1.89 -2.43 116.25 110.96 7hbi h VAL 3 Ca 0.00 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.35 7hbi h VAL 3 Cb 0.00 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 7hbi h VAL 3 CO 0.00 0.13 0.45 0.22 0.02 0.00 0.00 177.57 178.38 7hbi h TYR 4 N 0.69 0.82 -0.75 1.57 3.20 -1.94 0.11 116.97 120.66 7hbi h TYR 4 Ca 0.23 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 7hbi h TYR 4 Cb 0.02 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.00 7hbi h TYR 4 CO -0.06 0.38 0.47 -0.44 -1.64 0.00 0.00 178.16 176.87 7hbi h ASP 5 N 0.80 0.89 -0.44 -2.11 3.32 -1.87 0.26 116.42 117.27 7hbi h ASP 5 Ca 0.35 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.23 7hbi h ASP 5 Cb 0.24 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 7hbi h ASP 5 CO -0.20 0.68 -0.16 0.00 -1.72 0.00 0.00 179.24 177.83 7hbi h ALA 6 N 1.25 0.80 0.19 3.45 0.00 -0.98 -1.58 119.26 122.40 7hbi h ALA 6 Ca 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 7hbi h ALA 6 Cb -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.55 7hbi h ALA 6 CO -0.05 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.76 7hbi h ALA 7 N 0.98 -0.25 -0.05 0.00 0.00 -0.44 -2.81 119.26 116.69 7hbi h ALA 7 Ca 0.12 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.88 7hbi h ALA 7 Cb 0.71 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 7hbi h ALA 7 CO 0.05 -0.50 0.13 0.00 0.00 0.00 0.00 179.25 178.94 7hbi h ALA 8 N 0.19 1.35 -0.10 0.00 0.00 -0.39 -0.97 119.26 119.34 7hbi h ALA 8 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 7hbi h ALA 8 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 7hbi h ALA 8 CO 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.14 7hbi n GLN 9 N -3.32 1.67 -2.25 0.00 -0.00 -0.60 -4.83 117.38 108.05 7hbi n GLN 9 Ca -0.02 -0.99 -0.43 0.00 -0.00 0.00 0.00 57.00 55.57 7hbi n GLN 9 Cb 0.21 -1.42 -0.02 0.00 -0.00 0.00 0.00 30.24 29.00 7hbi n GLN 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 7hbi s LEU 10 N -1.73 4.14 0.71 2.61 1.43 -0.37 -4.99 118.68 120.48 7hbi s LEU 10 Ca 0.35 1.78 -0.06 0.00 -1.03 0.00 0.00 54.13 55.17 7hbi s LEU 10 Cb 0.19 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.95 7hbi s LEU 10 CO 0.29 -0.92 1.02 0.42 0.23 0.00 0.00 176.35 177.38 7hbi s THR 11 N 4.03 2.27 0.22 5.49 -4.23 -1.26 -4.83 115.64 117.32 7hbi s THR 11 Ca 0.63 -0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 60.73 7hbi s THR 11 Cb -0.25 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 70.80 7hbi s THR 11 CO 0.22 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 176.05 7hbi h ALA 12 N -0.62 0.86 0.00 3.99 0.00 -1.99 0.02 119.26 121.52 7hbi h ALA 12 Ca -0.43 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 7hbi h ALA 12 Cb 1.30 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 7hbi h ALA 12 CO 0.55 -0.15 -0.22 0.38 0.00 0.00 0.00 179.25 179.81 7hbi h ASP 13 N 0.46 0.00 -0.03 0.00 3.04 -1.99 -1.40 116.42 116.51 7hbi h ASP 13 Ca 0.33 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 54.10 7hbi h ASP 13 Cb 0.39 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.68 7hbi h ASP 13 CO -0.30 0.22 -0.03 0.58 -2.04 0.00 0.00 179.24 177.67 7hbi h VAL 14 N 0.00 1.37 -0.90 4.15 2.07 -1.71 -1.43 116.25 119.82 7hbi h VAL 14 Ca -0.00 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.42 7hbi h VAL 14 Cb 0.96 2.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.77 7hbi h VAL 14 CO 0.03 0.31 0.58 0.11 0.02 0.00 0.00 177.57 178.62 7hbi h LYS 15 N -0.38 1.00 -0.42 1.57 1.57 -0.97 -0.28 116.57 118.65 7hbi h LYS 15 Ca 0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 7hbi h LYS 15 Cb 0.52 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 7hbi h LYS 15 CO 0.01 0.66 0.18 -0.22 -0.57 0.00 0.00 179.45 179.51 7hbi h LYS 16 N 1.03 0.62 -0.46 3.15 1.63 -1.13 -0.53 116.57 120.88 7hbi h LYS 16 Ca 0.38 -0.10 -0.09 0.00 -0.85 0.00 0.00 60.65 59.98 7hbi h LYS 16 Cb 0.17 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 7hbi h LYS 16 CO -0.14 0.56 -0.08 -0.44 -3.45 0.00 0.00 179.45 175.90 7hbi h ASP 17 N 0.54 0.81 0.07 4.20 3.32 -0.47 -0.69 116.42 124.19 7hbi h ASP 17 Ca 0.14 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 7hbi h ASP 17 Cb 0.16 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.50 7hbi h ASP 17 CO -0.01 0.92 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.32 7hbi h LEU 18 N 0.75 -0.08 -0.51 1.55 3.38 -0.82 -1.71 115.31 117.87 7hbi h LEU 18 Ca 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 7hbi h LEU 18 Cb 0.57 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 7hbi h LEU 18 CO 0.03 0.04 0.23 0.03 0.09 0.00 0.00 178.44 178.87 7hbi h ARG 19 N -0.20 0.75 -0.44 1.13 3.08 -0.98 -0.38 114.38 117.34 7hbi h ARG 19 Ca -0.01 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 7hbi h ARG 19 Cb 0.17 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 7hbi h ARG 19 CO 0.02 0.63 -0.05 -0.44 -1.07 0.00 0.00 179.97 179.06 7hbi h ASP 20 N 0.68 0.72 0.40 7.04 5.19 -1.10 -1.48 116.42 127.87 7hbi h ASP 20 Ca 0.17 -0.19 -0.25 0.00 -0.62 0.00 0.00 57.03 56.15 7hbi h ASP 20 Cb 0.15 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.47 7hbi h ASP 20 CO -0.02 0.82 -1.06 0.77 -3.12 0.00 0.00 179.24 176.63 7hbi h SER 21 N 0.69 0.54 0.04 6.45 4.64 -1.11 -3.25 113.55 121.54 7hbi h SER 21 Ca 0.13 -0.48 -0.05 0.00 -0.47 0.00 0.00 61.79 60.92 7hbi h SER 21 Cb 0.50 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 7hbi h SER 21 CO 0.03 1.30 -0.15 -0.25 -0.87 0.00 0.00 176.83 176.89 7hbi h TRP 22 N 0.19 0.25 -0.63 4.77 2.91 -0.86 -0.62 115.95 121.96 7hbi h TRP 22 Ca -0.11 -0.03 0.16 0.00 1.13 0.00 0.00 58.89 60.04 7hbi h TRP 22 Cb 1.72 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 30.27 7hbi h TRP 22 CO 0.07 0.39 0.44 0.87 -1.03 0.00 0.00 178.44 179.17 7hbi h LYS 23 N 0.22 0.12 0.00 2.65 1.57 -1.31 0.16 116.57 119.99 7hbi h LYS 23 Ca 0.04 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 7hbi h LYS 23 Cb 0.41 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 7hbi h LYS 23 CO 0.02 0.08 -1.12 0.28 -0.57 0.00 0.00 179.45 178.15 7hbi n VAL 24 N -4.40 1.48 0.21 0.50 0.31 -0.61 -3.84 118.33 111.98 7hbi n VAL 24 Ca 0.12 0.05 0.09 0.00 -0.01 0.00 0.00 64.34 64.59 7hbi n VAL 24 Cb 0.61 -2.24 0.45 0.00 -0.91 0.00 0.00 33.84 31.76 7hbi n VAL 24 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 7hbi h ILE 25 N -1.00 0.70 -0.00 2.52 3.07 -1.14 -2.30 117.51 119.36 7hbi h ILE 25 Ca -0.18 -1.18 0.00 0.00 1.55 0.00 0.00 64.86 65.06 7hbi h ILE 25 Cb 0.98 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 39.28 7hbi h ILE 25 CO -0.11 0.26 -0.12 0.61 -1.05 0.00 0.00 178.15 177.75 7hbi n GLY 26 N 0.03 -1.00 0.16 0.16 0.00 0.57 -3.73 105.19 101.37 7hbi n GLY 26 Ca -0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 7hbi n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 7hbi h SER 27 N 0.49 0.33 -3.90 1.61 4.64 -1.51 -3.35 113.55 111.86 7hbi h SER 27 Ca 0.00 -0.23 -0.67 0.00 -0.47 0.00 0.00 61.79 60.42 7hbi h SER 27 Cb 0.37 -0.10 -0.38 0.00 -0.31 0.00 0.00 62.40 61.98 7hbi h SER 27 CO 0.00 0.96 -0.42 -0.62 -0.87 0.00 0.00 176.83 175.88 7hbi s ASP 28 N -6.93 5.06 0.18 4.97 2.15 -1.24 -4.94 116.67 115.91 7hbi s ASP 28 Ca -0.04 -3.24 -0.07 0.00 0.43 0.00 0.00 52.55 49.63 7hbi s ASP 28 Cb 0.11 -1.77 0.08 0.00 -0.30 0.00 0.00 42.92 41.03 7hbi s ASP 28 CO 0.82 -0.25 1.54 0.11 -0.17 0.00 0.00 175.17 177.22 7hbi h LYS 29 N 6.41 0.80 0.05 4.34 1.57 -1.79 -1.34 116.57 126.60 7hbi h LYS 29 Ca 0.03 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 7hbi h LYS 29 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 7hbi h LYS 29 CO 0.73 1.03 -0.02 -0.22 -0.57 0.00 0.00 179.45 180.40 7hbi h LYS 30 N 0.66 -0.06 0.31 3.15 3.64 -1.92 0.13 116.57 122.47 7hbi h LYS 30 Ca 0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 7hbi h LYS 30 Cb 0.91 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 7hbi h LYS 30 CO 0.08 0.14 -0.15 0.78 -2.27 0.00 0.00 179.45 178.04 7hbi h GLY 31 N -0.26 -0.43 1.87 5.01 0.00 -1.97 -2.18 103.07 105.11 7hbi h GLY 31 Ca -0.01 0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 7hbi h GLY 31 CO 0.01 -0.16 -0.63 3.43 0.00 0.00 0.00 176.54 179.20 7hbi h ASN 32 N -0.58 0.15 -0.05 0.19 2.35 -1.31 -1.36 115.58 114.97 7hbi h ASN 32 Ca -0.04 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 7hbi h ASN 32 Cb 0.42 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 7hbi h ASN 32 CO 0.07 0.74 0.02 1.23 -1.65 0.00 0.00 177.43 177.84 7hbi h GLY 33 N 1.66 0.09 1.13 2.83 0.00 -0.73 -0.44 103.07 107.60 7hbi h GLY 33 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 7hbi h GLY 33 CO 0.09 0.05 0.06 -2.08 0.00 0.00 0.00 176.54 174.65 7hbi h VAL 34 N -0.09 1.26 -0.69 4.60 2.07 -1.33 -2.06 116.25 120.01 7hbi h VAL 34 Ca 0.02 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.52 7hbi h VAL 34 Cb 0.18 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 7hbi h VAL 34 CO -0.00 0.40 0.39 0.00 0.02 0.00 0.00 177.57 178.38 7hbi h ALA 35 N 1.07 0.93 -0.10 1.67 0.00 -1.07 0.49 119.26 122.25 7hbi h ALA 35 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 7hbi h ALA 35 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 7hbi h ALA 35 CO 0.02 0.07 0.07 -0.07 0.00 0.00 0.00 179.25 179.34 7hbi h LEU 36 N 0.72 0.12 -0.59 0.00 3.38 -0.63 -1.72 115.31 116.59 7hbi h LEU 36 Ca 0.31 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.17 7hbi h LEU 36 Cb 0.19 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 7hbi h LEU 36 CO -0.18 0.09 -0.09 0.24 0.09 0.00 0.00 178.44 178.58 7hbi h MET 37 N 0.14 1.02 -0.16 1.13 2.86 -0.94 -1.54 114.93 117.45 7hbi h MET 37 Ca 0.04 -0.37 -0.13 0.00 -2.06 0.00 0.00 59.70 57.18 7hbi h MET 37 Cb -0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 7hbi h MET 37 CO -0.01 1.05 -0.44 1.79 1.06 0.00 0.00 176.91 180.36 7hbi h THR 38 N 0.91 1.32 -0.37 2.22 1.35 -0.80 -1.61 112.91 115.94 7hbi h THR 38 Ca 0.15 -1.62 -0.10 0.00 -0.55 0.00 0.00 66.41 64.29 7hbi h THR 38 Cb 0.65 1.68 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 7hbi h THR 38 CO 0.05 0.49 -0.18 0.74 -0.25 0.00 0.00 175.52 176.37 7hbi h THR 39 N 0.32 1.26 0.01 6.82 2.02 -1.13 0.56 112.91 122.77 7hbi h THR 39 Ca 0.02 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.98 7hbi h THR 39 Cb 0.91 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 7hbi h THR 39 CO 0.08 0.41 -0.01 0.25 0.37 0.00 0.00 175.52 176.61 7hbi h LEU 40 N 0.61 -0.04 -1.26 2.58 5.85 -0.71 -0.93 115.31 121.42 7hbi h LEU 40 Ca 0.10 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 7hbi h LEU 40 Cb 0.64 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 7hbi h LEU 40 CO 0.05 -0.02 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.59 7hbi h PHE 41 N -0.03 0.17 -0.10 1.25 0.04 -1.12 0.18 116.94 117.33 7hbi h PHE 41 Ca 0.00 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.61 7hbi h PHE 41 Cb 0.03 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.14 7hbi h PHE 41 CO -0.09 0.42 -0.46 0.00 -0.60 0.00 0.00 178.31 177.59 7hbi h ALA 42 N 1.58 0.19 0.00 2.45 0.00 -0.62 -3.18 119.26 119.68 7hbi h ALA 42 Ca 0.02 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 7hbi h ALA 42 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 7hbi h ALA 42 CO 0.04 0.34 -0.94 -0.44 0.00 0.00 0.00 179.25 178.26 7hbi h ASP 43 N 0.08 0.00 -2.21 0.00 3.32 -1.08 -3.39 116.42 113.14 7hbi h ASP 43 Ca -0.03 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.44 7hbi h ASP 43 Cb 1.10 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.25 7hbi h ASP 43 CO 0.10 0.29 -0.92 0.59 -1.72 0.00 0.00 179.24 177.58 7hbi n ASN 44 N -2.90 1.12 0.30 6.45 4.13 0.63 -4.95 115.26 120.04 7hbi n ASN 44 Ca -0.03 -2.85 0.15 0.00 1.68 0.00 0.00 54.58 53.54 7hbi n ASN 44 Cb 0.68 -0.64 0.92 0.00 -1.54 0.00 0.00 39.78 39.21 7hbi n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 7hbi h GLN 45 N 4.47 0.00 0.00 3.52 7.50 -1.74 -1.32 115.11 127.54 7hbi h GLN 45 Ca 0.14 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.29 7hbi h GLN 45 Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.35 7hbi h GLN 45 CO 0.55 0.00 0.00 1.05 -1.50 0.00 0.00 178.83 178.93 7hbi h GLU 46 N 0.00 0.00 0.00 1.46 9.09 -1.92 -2.50 114.58 120.71 7hbi h GLU 46 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 7hbi h GLU 46 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 7hbi h GLU 46 CO -0.00 0.00 -0.53 1.79 0.05 0.00 0.00 179.01 180.32 7hbi h THR 47 N 0.00 0.00 -0.83 -1.06 1.35 -1.59 -3.37 112.91 107.41 7hbi h THR 47 Ca 0.00 -0.61 0.15 0.00 -0.55 0.00 0.00 66.41 65.40 7hbi h THR 47 Cb 0.17 1.28 -0.09 0.00 -1.73 0.00 0.00 68.15 67.78 7hbi h THR 47 CO 0.00 0.00 0.41 0.40 -0.25 0.00 0.00 175.52 176.08 7hbi h ILE 48 N 0.00 0.71 -0.43 6.82 2.04 -1.62 -0.55 117.51 124.48 7hbi h ILE 48 Ca 0.00 -0.20 0.12 0.00 1.00 0.00 0.00 64.86 65.78 7hbi h ILE 48 Cb 0.81 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 7hbi h ILE 48 CO 0.00 0.11 0.31 1.23 0.00 0.00 0.00 178.15 179.79 7hbi h GLY 49 N 0.58 0.04 2.00 5.37 0.00 -1.80 -0.42 103.07 108.85 7hbi h GLY 49 Ca 0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 7hbi h GLY 49 CO -0.37 0.01 -0.14 -0.97 0.00 0.00 0.00 176.54 175.07 7hbi h TYR 50 N 0.03 0.00 -0.96 5.60 0.05 -1.37 -3.16 116.97 117.16 7hbi h TYR 50 Ca 0.20 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.50 7hbi h TYR 50 Cb 0.77 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.23 7hbi h TYR 50 CO -0.00 0.14 0.61 1.19 -1.05 0.00 0.00 178.16 179.04 7hbi n PHE 51 N -3.42 2.99 -0.07 4.88 3.01 -0.16 -4.68 117.46 120.01 7hbi n PHE 51 Ca -0.01 -1.76 0.18 0.00 1.01 0.00 0.00 57.45 56.87 7hbi n PHE 51 Cb 0.32 -0.91 0.61 0.00 -0.01 0.00 0.00 39.48 39.48 7hbi n PHE 51 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 7hbi h LYS 52 N 1.21 0.18 -0.03 -1.08 2.10 -1.67 -0.85 116.57 116.44 7hbi h LYS 52 Ca 0.59 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 59.21 7hbi h LYS 52 Cb 2.81 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 34.09 7hbi h LYS 52 CO 1.06 0.12 -0.06 -0.09 -2.00 0.00 0.00 179.45 178.48 7hbi h ARG 53 N 0.19 0.04 0.00 0.07 2.43 -1.91 -2.13 114.38 113.07 7hbi h ARG 53 Ca 0.30 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 7hbi h ARG 53 Cb 0.91 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 7hbi h ARG 53 CO -0.05 0.10 0.00 1.28 -1.51 0.00 0.00 179.97 179.79 7hbi n LEU 54 N -4.45 0.00 0.00 3.80 4.77 -0.32 -4.99 117.00 115.81 7hbi n LEU 54 Ca -0.02 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 7hbi n LEU 54 Cb 0.15 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 7hbi n LEU 54 CO 0.35 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 7hbi n GLY 55 N 0.89 1.07 3.43 -0.72 0.00 -0.80 -4.40 105.19 104.67 7hbi n GLY 55 Ca 0.22 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 7hbi n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 7hbi s ASP 56 N -4.00 6.30 0.15 1.61 1.01 -1.26 -4.83 116.67 115.65 7hbi s ASP 56 Ca 0.00 -1.39 0.20 0.00 0.71 0.00 0.00 52.55 52.07 7hbi s ASP 56 Cb 0.00 -2.38 0.83 0.00 1.01 0.00 0.00 42.92 42.37 7hbi s ASP 56 CO 0.00 -1.26 1.60 1.33 0.21 0.00 0.00 175.17 177.06 7hbi n VAL 57 N 5.70 0.91 0.33 -1.27 0.24 -1.26 -2.52 118.33 120.45 7hbi n VAL 57 Ca 0.02 0.25 0.22 0.00 -2.04 0.00 0.00 64.34 62.78 7hbi n VAL 57 Cb 0.46 -1.10 1.16 0.00 -1.47 0.00 0.00 33.84 32.89 7hbi n VAL 57 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 7hbi h SER 58 N 0.00 0.00 0.91 -1.34 4.64 -1.99 -3.05 113.55 112.72 7hbi h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 7hbi h SER 58 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 7hbi h SER 58 CO 0.00 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.52 7hbi h GLN 59 N 0.00 0.00 0.00 4.77 1.08 -1.92 -3.47 115.11 115.57 7hbi h GLN 59 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 7hbi h GLN 59 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 7hbi h GLN 59 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 7hbi n GLY 60 N -0.01 3.16 0.26 3.46 0.00 -1.16 -2.74 105.19 108.17 7hbi n GLY 60 Ca 0.01 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.94 7hbi n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 7hbi h MET 61 N 0.00 0.00 0.00 1.61 1.85 -1.93 -1.49 114.93 114.96 7hbi h MET 61 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 7hbi h MET 61 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 7hbi h MET 61 CO 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.51 7hbi n ALA 62 N -2.53 2.09 -2.57 0.39 0.00 -1.11 -4.52 120.51 112.27 7hbi n ALA 62 Ca -0.03 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 7hbi n ALA 62 Cb 0.10 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 7hbi n ALA 62 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 7hbi s ASN 63 N -3.60 6.36 0.28 0.00 3.84 -0.56 -4.91 114.94 116.34 7hbi s ASN 63 Ca 0.10 -0.28 -0.02 0.00 0.21 0.00 0.00 52.86 52.87 7hbi s ASN 63 Cb 0.14 -2.36 0.43 0.00 -0.55 0.00 0.00 41.25 38.91 7hbi s ASN 63 CO 0.48 -0.92 1.91 -2.24 -2.79 0.00 0.00 177.10 173.54 7hbi h ASP 64 N 9.00 1.01 0.09 -4.21 2.03 -1.85 -0.38 116.42 122.11 7hbi h ASP 64 Ca -0.25 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.87 7hbi h ASP 64 Cb 1.09 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 39.37 7hbi h ASP 64 CO 0.96 0.66 -0.64 0.11 -1.03 0.00 0.00 179.24 179.30 7hbi h LYS 65 N 1.15 0.53 -0.34 4.15 1.57 -1.91 -0.76 116.57 120.96 7hbi h LYS 65 Ca 0.40 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 7hbi h LYS 65 Cb 0.11 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 7hbi h LYS 65 CO -0.14 0.99 -0.10 1.25 -0.57 0.00 0.00 179.45 180.88 7hbi h LEU 66 N 0.38 0.67 -0.48 2.94 5.85 -1.68 -1.62 115.31 121.38 7hbi h LEU 66 Ca -0.01 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 7hbi h LEU 66 Cb 1.20 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 7hbi h LEU 66 CO 0.12 0.89 0.24 -0.09 -0.34 0.00 0.00 178.44 179.25 7hbi h ARG 67 N 0.45 0.68 -0.28 1.25 2.43 -0.98 0.15 114.38 118.08 7hbi h ARG 67 Ca 0.08 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 7hbi h ARG 67 Cb 0.60 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 7hbi h ARG 67 CO 0.04 0.57 0.15 0.78 -1.51 0.00 0.00 179.97 179.99 7hbi h GLY 68 N 0.63 0.38 0.99 2.80 0.00 -1.07 -1.84 103.07 104.96 7hbi h GLY 68 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.39 7hbi h GLY 68 CO -0.02 0.09 0.19 0.84 0.00 0.00 0.00 176.54 177.64 7hbi h HIS 69 N 0.31 0.36 -0.70 5.60 -0.00 -1.04 -2.27 115.15 117.40 7hbi h HIS 69 Ca 0.11 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.45 7hbi h HIS 69 Cb 0.02 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.28 7hbi h HIS 69 CO -0.09 0.22 0.28 0.77 -0.00 0.00 0.00 177.93 179.12 7hbi h SER 70 N 0.39 0.95 -0.18 3.26 0.02 -0.72 -0.78 113.55 116.49 7hbi h SER 70 Ca 0.11 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 7hbi h SER 70 Cb -0.04 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 7hbi h SER 70 CO -0.03 0.84 0.00 0.40 -1.14 0.00 0.00 176.83 176.91 7hbi h ILE 71 N 1.01 1.25 -0.84 3.27 2.04 -1.20 -2.53 117.51 120.51 7hbi h ILE 71 Ca 0.24 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 7hbi h ILE 71 Cb 0.19 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 7hbi h ILE 71 CO -0.02 0.25 0.42 0.58 0.00 0.00 0.00 178.15 179.38 7hbi h VAL 72 N 0.07 1.26 -0.73 1.67 2.07 -1.15 -1.99 116.25 117.45 7hbi h VAL 72 Ca 0.05 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.92 7hbi h VAL 72 Cb 0.38 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 7hbi h VAL 72 CO 0.01 0.30 0.44 0.25 0.02 0.00 0.00 177.57 178.59 7hbi h LEU 73 N 1.19 0.70 -1.77 2.57 6.46 -1.06 -0.83 115.31 122.57 7hbi h LEU 73 Ca 0.29 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.03 7hbi h LEU 73 Cb 0.10 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.89 7hbi h LEU 73 CO -0.04 0.47 -0.15 0.24 -0.62 0.00 0.00 178.44 178.33 7hbi h MET 74 N 0.83 0.00 0.00 1.25 2.86 -0.94 -0.93 114.93 118.01 7hbi h MET 74 Ca 0.31 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.87 7hbi h MET 74 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 7hbi h MET 74 CO -0.14 0.15 -0.39 1.88 1.06 0.00 0.00 176.91 179.47 7hbi h TYR 75 N 0.00 0.00 -0.46 -0.22 0.05 -0.63 -0.54 116.97 115.16 7hbi h TYR 75 Ca -0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 7hbi h TYR 75 Cb 0.31 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 7hbi h TYR 75 CO 0.00 0.39 -0.05 0.00 -1.05 0.00 0.00 178.16 177.45 7hbi h ALA 76 N 1.61 0.63 -0.26 3.88 0.00 -0.22 -1.49 119.26 123.42 7hbi h ALA 76 Ca -0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 7hbi h ALA 76 Cb 1.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 7hbi h ALA 76 CO 0.05 0.48 -0.44 -0.07 0.00 0.00 0.00 179.25 179.27 7hbi h LEU 77 N 0.70 0.71 -0.42 0.00 3.38 -1.16 -2.13 115.31 116.39 7hbi h LEU 77 Ca 0.13 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.82 7hbi h LEU 77 Cb 0.58 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 7hbi h LEU 77 CO 0.03 1.05 0.10 -0.61 0.09 0.00 0.00 178.44 179.10 7hbi h GLN 78 N 0.54 0.23 -0.32 1.13 5.75 -1.00 -0.94 115.11 120.50 7hbi h GLN 78 Ca 0.04 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 7hbi h GLN 78 Cb 0.97 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.44 7hbi h GLN 78 CO 0.09 0.15 0.15 -0.97 -2.65 0.00 0.00 178.83 175.60 7hbi h ASN 79 N 0.24 0.21 -0.23 -0.69 -0.73 -1.06 -0.17 115.58 113.15 7hbi h ASN 79 Ca 0.21 0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.43 7hbi h ASN 79 Cb 0.24 -0.02 -0.04 0.00 0.27 0.00 0.00 38.32 38.78 7hbi h ASN 79 CO -0.26 0.16 0.01 -0.26 -0.37 0.00 0.00 177.43 176.71 7hbi h PHE 80 N 0.32 0.00 -0.77 0.67 0.04 -0.78 -1.53 116.94 114.88 7hbi h PHE 80 Ca 0.14 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 7hbi h PHE 80 Cb 0.06 0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 7hbi h PHE 80 CO -0.11 -0.03 0.47 0.82 -0.60 0.00 0.00 178.31 178.87 7hbi h ILE 81 N 0.08 1.21 0.00 -0.55 1.08 -0.78 -2.14 117.51 116.41 7hbi h ILE 81 Ca 0.11 -0.46 -0.04 0.00 -0.39 0.00 0.00 64.86 64.08 7hbi h ILE 81 Cb 0.13 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 7hbi h ILE 81 CO -0.18 0.22 -0.18 0.44 -0.69 0.00 0.00 178.15 177.77 7hbi h ASP 82 N 1.06 0.00 -0.52 1.72 3.32 -0.30 -3.14 116.42 118.56 7hbi h ASP 82 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 7hbi h ASP 82 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 7hbi h ASP 82 CO -0.05 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 7hbi n GLN 83 N -3.24 2.30 -0.26 3.56 1.13 -0.64 -4.65 117.38 115.57 7hbi n GLN 83 Ca 0.01 -2.01 0.04 0.00 -1.94 0.00 0.00 57.00 53.10 7hbi n GLN 83 Cb 0.47 -1.45 0.27 0.00 0.11 0.00 0.00 30.24 29.64 7hbi n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 7hbi h LEU 84 N 3.39 0.85 -0.03 1.08 3.38 -1.47 -1.89 115.31 120.60 7hbi h LEU 84 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 7hbi h LEU 84 Cb 0.77 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.34 7hbi h LEU 84 CO 0.00 0.56 -0.02 0.47 0.09 0.00 0.00 178.44 179.54 7hbi n ASP 85 N -4.47 0.07 -3.83 -0.43 8.00 -1.26 -4.27 116.55 110.36 7hbi n ASP 85 Ca 0.12 -0.20 -0.30 0.00 0.71 0.00 0.00 54.79 55.12 7hbi n ASP 85 Cb 0.17 -0.25 -0.14 0.00 -0.02 0.00 0.00 41.12 40.88 7hbi n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 7hbi s ASN 86 N -2.57 4.06 0.46 -2.24 3.84 -0.71 -4.98 114.94 112.81 7hbi s ASN 86 Ca 0.28 -2.54 0.27 0.00 0.21 0.00 0.00 52.86 51.09 7hbi s ASN 86 Cb 0.20 -1.28 1.32 0.00 -0.55 0.00 0.00 41.25 40.95 7hbi s ASN 86 CO 0.47 -0.29 1.76 -0.65 -2.79 0.00 0.00 177.10 175.60 7hbi h PRO 87 N 6.97 0.20 -0.28 0.43 0.11 -1.74 -0.87 132.00 136.82 7hbi h PRO 87 Ca -0.05 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.92 7hbi h PRO 87 Cb 0.94 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 7hbi h PRO 87 CO 0.55 0.13 -0.36 -0.44 -0.21 0.00 0.00 178.00 177.67 7hbi h ASP 88 N 0.20 0.64 0.09 -2.05 3.32 -1.93 0.12 116.42 116.82 7hbi h ASP 88 Ca 0.62 -0.27 -0.23 0.00 0.02 0.00 0.00 57.03 57.17 7hbi h ASP 88 Cb 1.95 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 41.35 7hbi h ASP 88 CO -0.20 0.94 -0.94 0.44 -1.72 0.00 0.00 179.24 177.76 7hbi h ASP 89 N 0.52 0.66 -0.51 6.45 3.32 -1.53 -2.68 116.42 122.65 7hbi h ASP 89 Ca 0.05 -0.84 0.07 0.00 0.02 0.00 0.00 57.03 56.33 7hbi h ASP 89 Cb 0.86 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.14 7hbi h ASP 89 CO 0.07 1.44 0.18 0.25 -1.72 0.00 0.00 179.24 179.47 7hbi h LEU 90 N -0.02 0.19 -0.52 1.55 5.85 -1.15 -2.11 115.31 119.09 7hbi h LEU 90 Ca -0.14 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.65 7hbi h LEU 90 Cb 1.67 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.71 7hbi h LEU 90 CO 0.18 0.13 0.34 0.58 -0.34 0.00 0.00 178.44 179.33 7hbi h VAL 91 N 0.36 1.11 0.00 1.05 2.07 -0.99 -0.60 116.25 119.25 7hbi h VAL 91 Ca 0.25 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 7hbi h VAL 91 Cb 0.27 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 7hbi h VAL 91 CO -0.25 0.13 -0.22 0.00 0.02 0.00 0.00 177.57 177.24 7hbi h VAL 93 N 0.00 1.46 -0.31 0.00 -1.51 -1.10 -2.88 116.25 111.91 7hbi h VAL 93 Ca -0.00 -3.00 0.02 0.00 -1.23 0.00 0.00 66.70 62.49 7hbi h VAL 93 Cb 0.88 2.96 -0.02 0.00 -2.13 0.00 0.00 31.29 32.98 7hbi h VAL 93 CO 0.03 0.88 0.16 0.58 -1.23 0.00 0.00 177.57 177.99 7hbi h VAL 94 N 0.09 1.00 -0.41 7.19 2.07 -0.86 -1.61 116.25 123.71 7hbi h VAL 94 Ca -0.16 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 7hbi h VAL 94 Cb 2.01 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 7hbi h VAL 94 CO 0.22 0.06 0.16 -0.33 0.02 0.00 0.00 177.57 177.70 7hbi h GLU 95 N 0.34 0.58 -0.08 1.57 5.08 -1.29 0.16 114.58 120.93 7hbi h GLU 95 Ca 0.13 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 7hbi h GLU 95 Cb 0.03 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 7hbi h GLU 95 CO -0.08 0.49 0.00 -0.22 -1.00 0.00 0.00 179.01 178.20 7hbi h LYS 96 N 0.58 0.14 0.00 2.33 3.11 -1.17 -2.26 116.57 119.30 7hbi h LYS 96 Ca 0.14 -0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 57.85 7hbi h LYS 96 Cb 0.13 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 7hbi h LYS 96 CO -0.01 0.39 -0.41 0.74 -2.81 0.00 0.00 179.45 177.35 7hbi h PHE 97 N -0.13 0.00 -0.50 1.91 0.04 -0.98 -2.75 116.94 114.54 7hbi h PHE 97 Ca 0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 7hbi h PHE 97 Cb 0.33 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 7hbi h PHE 97 CO 0.03 0.41 0.28 0.00 -0.60 0.00 0.00 178.31 178.43 7hbi h ALA 98 N 1.59 0.64 -0.81 2.45 0.00 -0.50 -2.23 119.26 120.40 7hbi h ALA 98 Ca -0.00 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.86 7hbi h ALA 98 Cb 0.75 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 7hbi h ALA 98 CO 0.05 0.15 0.53 0.28 0.00 0.00 0.00 179.25 180.27 7hbi h VAL 99 N 0.67 1.12 -0.21 0.00 2.07 -1.11 0.80 116.25 119.58 7hbi h VAL 99 Ca 0.18 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 7hbi h VAL 99 Cb 0.04 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 7hbi h VAL 99 CO -0.03 0.18 0.13 0.78 0.02 0.00 0.00 177.57 178.65 7hbi h ASN 100 N 0.98 0.25 0.34 0.57 -0.26 -1.28 -1.88 115.58 114.30 7hbi h ASN 100 Ca 0.33 -0.01 -0.32 0.00 -0.56 0.00 0.00 56.30 55.73 7hbi h ASN 100 Cb 0.07 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 7hbi h ASN 100 CO -0.10 0.19 -1.80 0.45 -1.06 0.00 0.00 177.43 175.11 7hbi h HIS 101 N 0.29 0.25 -0.93 1.19 3.86 -0.91 -3.33 115.15 115.57 7hbi h HIS 101 Ca 0.08 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.13 7hbi h HIS 101 Cb -0.01 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.40 7hbi h HIS 101 CO 0.00 1.37 0.61 0.82 0.86 0.00 0.00 177.93 181.59 7hbi h ILE 102 N 0.04 1.21 0.00 2.45 2.04 -0.73 -1.07 117.51 121.44 7hbi h ILE 102 Ca -0.33 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 7hbi h ILE 102 Cb 2.02 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 7hbi h ILE 102 CO 0.09 0.22 -0.07 0.71 0.00 0.00 0.00 178.15 179.10 7hbi h THR 103 N 1.22 0.38 -0.60 -0.27 1.35 -1.49 -1.22 112.91 112.28 7hbi h THR 103 Ca 0.35 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 7hbi h THR 103 Cb -0.09 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 7hbi h THR 103 CO -0.09 0.07 0.00 0.54 -0.25 0.00 0.00 175.52 175.79 7hbi n ARG 104 N -3.47 3.23 -3.91 4.72 3.00 -0.53 -4.94 116.66 114.76 7hbi n ARG 104 Ca -0.02 -2.52 -0.29 0.00 -0.01 0.00 0.00 57.85 55.02 7hbi n ARG 104 Cb 0.21 -1.76 0.02 0.00 0.00 0.00 0.00 32.46 30.93 7hbi n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 7hbi n LYS 105 N 1.10 -5.02 -3.35 5.56 4.76 -0.46 -4.96 118.16 115.80 7hbi n LYS 105 Ca 0.23 0.57 -0.39 0.00 -2.87 0.00 0.00 58.31 55.84 7hbi n LYS 105 Cb 0.75 -5.32 -0.08 0.00 -1.84 0.00 0.00 35.03 28.54 7hbi n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 7hbi s ILE 106 N -3.42 5.15 0.69 -0.18 -1.09 -0.52 -5.01 121.20 116.82 7hbi s ILE 106 Ca 0.50 0.68 -0.08 0.00 -2.23 0.00 0.00 60.65 59.51 7hbi s ILE 106 Cb -0.25 -3.74 0.04 0.00 -1.58 0.00 0.00 42.46 36.93 7hbi s ILE 106 CO 0.84 0.16 1.03 -0.94 -1.23 0.00 0.00 174.94 174.80 7hbi s SER 107 N 1.49 5.11 0.22 3.58 1.04 -1.26 -4.45 113.70 119.44 7hbi s SER 107 Ca 0.17 0.73 -0.08 0.00 0.48 0.00 0.00 55.95 57.26 7hbi s SER 107 Cb -0.16 -1.48 0.25 0.00 0.10 0.00 0.00 66.02 64.73 7hbi s SER 107 CO 0.09 -1.45 1.86 0.00 0.98 0.00 0.00 173.24 174.73 7hbi h ALA 108 N -0.57 1.06 -0.35 5.32 0.00 -1.87 0.39 119.26 123.23 7hbi h ALA 108 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 7hbi h ALA 108 Cb 1.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 7hbi h ALA 108 CO 0.62 0.30 0.22 0.00 0.00 0.00 0.00 179.25 180.40 7hbi h ALA 109 N 1.35 0.44 -0.47 0.00 0.00 -1.95 -1.87 119.26 116.75 7hbi h ALA 109 Ca 0.33 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 7hbi h ALA 109 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 7hbi h ALA 109 CO -0.13 -0.09 -0.09 0.93 0.00 0.00 0.00 179.25 179.88 7hbi h GLU 110 N 0.47 0.89 -0.88 0.00 5.08 -1.81 -2.58 114.58 115.74 7hbi h GLU 110 Ca 0.13 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 7hbi h GLU 110 Cb -0.04 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 7hbi h GLU 110 CO -0.03 0.97 0.58 0.35 -1.00 0.00 0.00 179.01 179.89 7hbi h PHE 111 N 0.74 1.06 0.00 4.33 3.04 -0.81 -1.38 116.94 123.92 7hbi h PHE 111 Ca 0.12 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.10 7hbi h PHE 111 Cb 0.63 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.78 7hbi h PHE 111 CO 0.05 0.62 0.00 0.41 -2.02 0.00 0.00 178.31 177.37 7hbi n GLY 112 N -1.40 -0.96 0.24 2.40 0.00 -0.71 -2.17 105.19 102.58 7hbi n GLY 112 Ca 0.12 0.13 0.17 0.00 0.00 0.00 0.00 46.02 46.43 7hbi n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 7hbi h LYS 113 N 0.00 0.00 0.00 1.61 1.57 -1.20 -1.68 116.57 116.87 7hbi h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 7hbi h LYS 113 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 7hbi h LYS 113 CO 0.00 0.00 0.00 0.97 -0.57 0.00 0.00 179.45 179.85 7hbi h ILE 114 N 0.00 0.00 -0.59 1.86 6.09 -1.64 -3.16 117.51 120.08 7hbi h ILE 114 Ca 0.00 -0.33 -0.01 0.00 -1.37 0.00 0.00 64.86 63.15 7hbi h ILE 114 Cb 0.09 1.22 -0.03 0.00 0.47 0.00 0.00 36.82 38.57 7hbi h ILE 114 CO 0.00 0.00 0.33 0.78 -3.07 0.00 0.00 178.15 176.19 7hbi h ASN 115 N 0.00 0.71 0.74 2.19 2.35 -1.55 -1.56 115.58 118.46 7hbi h ASN 115 Ca 0.00 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 7hbi h ASN 115 Cb 0.37 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.57 7hbi h ASN 115 CO 0.00 0.57 -0.35 1.23 -1.65 0.00 0.00 177.43 177.22 7hbi h GLY 116 N 0.87 -1.03 -0.24 2.83 0.00 -1.77 -0.40 103.07 103.33 7hbi h GLY 116 Ca 0.21 0.38 0.15 0.00 0.00 0.00 0.00 47.33 48.07 7hbi h GLY 116 CO -0.04 -0.38 -0.01 -2.55 0.00 0.00 0.00 176.54 173.57 7hbi h PRO 117 N -1.08 0.10 -0.40 4.80 0.11 -1.73 -1.21 132.00 132.60 7hbi h PRO 117 Ca -0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.01 7hbi h PRO 117 Cb 0.78 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 7hbi h PRO 117 CO 0.17 0.07 0.27 0.82 -0.21 0.00 0.00 178.00 179.11 7hbi h ILE 118 N 0.10 1.11 -0.68 4.15 2.04 -1.09 -0.17 117.51 122.97 7hbi h ILE 118 Ca 0.37 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 66.06 7hbi h ILE 118 Cb 0.63 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 7hbi h ILE 118 CO -0.61 0.10 0.42 0.50 0.00 0.00 0.00 178.15 178.56 7hbi h LYS 119 N 0.55 0.79 -0.42 2.37 3.64 -0.54 -0.28 116.57 122.68 7hbi h LYS 119 Ca 0.15 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 7hbi h LYS 119 Cb -0.06 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 7hbi h LYS 119 CO -0.03 0.52 -0.04 0.87 -2.27 0.00 0.00 179.45 178.50 7hbi h LYS 120 N 0.81 0.77 -0.49 1.90 1.57 -0.45 -0.87 116.57 119.81 7hbi h LYS 120 Ca 0.28 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 7hbi h LYS 120 Cb 0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 7hbi h LYS 120 CO -0.12 0.87 -0.18 0.28 -0.57 0.00 0.00 179.45 179.72 7hbi h VAL 121 N 0.60 1.27 -0.48 0.50 2.07 -0.78 -1.73 116.25 117.71 7hbi h VAL 121 Ca 0.12 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.29 7hbi h VAL 121 Cb 0.54 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 7hbi h VAL 121 CO 0.03 0.47 0.30 -0.07 0.02 0.00 0.00 177.57 178.32 7hbi h LEU 122 N 0.85 0.56 -1.65 2.57 3.38 -0.94 -2.25 115.31 117.83 7hbi h LEU 122 Ca 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 7hbi h LEU 122 Cb 0.75 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 7hbi h LEU 122 CO 0.06 0.43 0.10 0.00 0.09 0.00 0.00 178.44 179.12 7hbi h ALA 123 N 1.16 1.73 0.00 1.53 0.00 -0.90 -0.57 119.26 122.21 7hbi h ALA 123 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 7hbi h ALA 123 Cb -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 7hbi h ALA 123 CO -0.03 0.22 -0.09 0.66 0.00 0.00 0.00 179.25 180.00 7hbi h SER 124 N 0.33 0.00 -0.46 0.00 4.64 -0.69 -1.15 113.55 116.22 7hbi h SER 124 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 7hbi h SER 124 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 7hbi h SER 124 CO -0.01 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 7hbi n LYS 125 N -3.50 4.11 -2.40 4.77 4.76 -0.37 -4.95 118.16 120.59 7hbi n LYS 125 Ca -0.02 -3.03 -0.20 0.00 -2.87 0.00 0.00 58.31 52.19 7hbi n LYS 125 Cb 0.23 -2.09 -0.01 0.00 -1.84 0.00 0.00 35.03 31.33 7hbi n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 7hbi n ASN 126 N 0.21 -5.73 -4.50 4.39 3.02 -0.44 -4.99 115.26 107.22 7hbi n ASN 126 Ca 0.25 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 7hbi n ASN 126 Cb 1.07 -4.75 -0.09 0.00 -0.61 0.00 0.00 39.78 35.40 7hbi n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 7hbi s PHE 127 N -3.01 3.17 0.00 3.10 0.08 -0.37 -4.96 117.98 116.00 7hbi s PHE 127 Ca 0.01 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.82 7hbi s PHE 127 Cb -0.00 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.55 7hbi s PHE 127 CO 0.01 -0.65 0.00 0.41 -0.10 0.00 0.00 175.22 174.89 7hbi n GLY 128 N 5.05 -1.11 0.38 4.36 0.00 -1.26 -2.92 105.19 109.69 7hbi n GLY 128 Ca -0.07 -1.62 0.17 0.00 0.00 0.00 0.00 46.02 44.50 7hbi n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 7hbi h ASP 129 N -0.06 0.58 -0.64 1.61 3.32 -1.97 -0.48 116.42 118.78 7hbi h ASP 129 Ca 0.00 0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.20 7hbi h ASP 129 Cb 0.00 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 7hbi h ASP 129 CO 0.00 0.21 0.31 0.50 -1.72 0.00 0.00 179.24 178.53 7hbi h LYS 130 N 0.57 0.53 -0.17 3.56 3.64 -1.99 0.21 116.57 122.92 7hbi h LYS 130 Ca 0.53 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.69 7hbi h LYS 130 Cb 1.09 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.80 7hbi h LYS 130 CO -0.28 0.35 -0.64 1.88 -2.27 0.00 0.00 179.45 178.49 7hbi h TYR 131 N 0.55 0.98 -0.80 1.91 0.05 -1.44 -2.06 116.97 116.16 7hbi h TYR 131 Ca 0.31 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.68 7hbi h TYR 131 Cb 0.30 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.84 7hbi h TYR 131 CO -0.12 1.23 0.51 0.00 -1.05 0.00 0.00 178.16 178.73 7hbi h ALA 132 N 0.56 1.40 -0.29 3.88 0.00 -1.00 -0.64 119.26 123.17 7hbi h ALA 132 Ca -0.03 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 7hbi h ALA 132 Cb 1.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 7hbi h ALA 132 CO 0.14 0.54 -0.30 -0.97 0.00 0.00 0.00 179.25 178.66 7hbi h ASN 133 N 1.09 0.63 -0.28 0.00 -1.24 -0.85 -0.61 115.58 114.31 7hbi h ASN 133 Ca 0.29 -0.24 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 7hbi h ASN 133 Cb -0.10 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.77 7hbi h ASN 133 CO -0.06 0.90 0.08 0.00 -1.29 0.00 0.00 177.43 177.06 7hbi h ALA 134 N 1.15 0.37 -0.39 1.57 0.00 -0.59 -2.36 119.26 119.01 7hbi h ALA 134 Ca 0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 7hbi h ALA 134 Cb 0.78 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 7hbi h ALA 134 CO 0.06 0.01 -0.00 -1.49 0.00 0.00 0.00 179.25 177.83 7hbi h TRP 135 N 0.30 0.65 -0.34 0.00 4.06 -0.88 -1.73 115.95 118.02 7hbi h TRP 135 Ca 0.09 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 7hbi h TRP 135 Cb 0.25 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.21 7hbi h TRP 135 CO 0.01 0.63 0.18 0.00 -3.56 0.00 0.00 178.44 175.70 7hbi h ALA 136 N 1.41 1.69 -0.43 1.49 0.00 -0.86 -0.68 119.26 121.87 7hbi h ALA 136 Ca 0.12 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 7hbi h ALA 136 Cb 0.38 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 7hbi h ALA 136 CO 0.01 0.26 -0.16 0.87 0.00 0.00 0.00 179.25 180.24 7hbi h LYS 137 N 0.46 0.82 -0.30 0.00 1.57 -0.79 -0.50 116.57 117.84 7hbi h LYS 137 Ca 0.12 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 7hbi h LYS 137 Cb 0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 7hbi h LYS 137 CO -0.02 0.93 -0.22 1.25 -0.57 0.00 0.00 179.45 180.81 7hbi h LEU 138 N 0.73 0.72 -1.12 2.94 5.85 -0.95 -2.89 115.31 120.59 7hbi h LEU 138 Ca 0.11 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.44 7hbi h LEU 138 Cb 0.67 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 7hbi h LEU 138 CO 0.05 1.01 0.60 0.58 -0.34 0.00 0.00 178.44 180.34 7hbi h VAL 139 N 0.43 1.12 0.00 1.05 2.07 -1.06 -1.31 116.25 118.56 7hbi h VAL 139 Ca 0.06 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 7hbi h VAL 139 Cb 0.78 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 7hbi h VAL 139 CO 0.06 0.20 -0.05 0.00 0.02 0.00 0.00 177.57 177.80 7hbi h ALA 140 N 1.48 1.26 -0.58 1.67 0.00 -0.88 -0.13 119.26 122.09 7hbi h ALA 140 Ca 0.38 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 7hbi h ALA 140 Cb 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 7hbi h ALA 140 CO -0.13 0.07 -0.07 0.28 0.00 0.00 0.00 179.25 179.40 7hbi h VAL 141 N 0.00 1.27 -0.16 0.00 2.07 -1.09 -0.92 116.25 117.42 7hbi h VAL 141 Ca -0.00 -1.23 -0.21 0.00 0.82 0.00 0.00 66.70 66.08 7hbi h VAL 141 Cb 0.19 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 7hbi h VAL 141 CO 0.01 0.44 -0.74 0.58 0.02 0.00 0.00 177.57 177.88 7hbi h VAL 142 N 0.95 1.29 -0.66 2.57 2.07 -1.09 -2.94 116.25 118.45 7hbi h VAL 142 Ca 0.16 -1.97 0.08 0.00 0.82 0.00 0.00 66.70 65.79 7hbi h VAL 142 Cb 0.64 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 7hbi h VAL 142 CO 0.04 0.62 0.44 1.56 0.02 0.00 0.00 177.57 180.25 7hbi h GLN 143 N 0.52 0.56 0.00 1.57 4.20 -0.95 0.83 115.11 121.84 7hbi h GLN 143 Ca -0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 7hbi h GLN 143 Cb 1.36 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 7hbi h GLN 143 CO 0.15 0.37 -0.02 0.00 -0.67 0.00 0.00 178.83 178.66 7hbi h ALA 144 N 1.66 1.28 -0.02 3.87 0.00 -0.98 -1.40 119.26 123.67 7hbi h ALA 144 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 7hbi h ALA 144 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 7hbi h ALA 144 CO -0.09 0.03 -0.15 0.00 0.00 0.00 0.00 179.25 179.04 7hbi n ALA 145 N -2.22 2.85 0.53 0.00 0.00 0.27 -4.52 120.51 117.42 7hbi n ALA 145 Ca -0.03 -0.51 0.06 0.00 0.00 0.00 0.00 53.44 52.97 7hbi n ALA 145 Cb 0.12 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.59 7hbi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78