#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aur h VAL 3 N 0.00 1.26 -0.64 2.46 2.07 -1.89 -1.76 116.25 117.75 2aur h VAL 3 Ca 0.00 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 2aur h VAL 3 Cb 0.00 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2aur h VAL 3 CO 0.00 0.42 0.19 1.88 0.02 0.00 0.00 177.57 180.09 2aur h TYR 4 N 0.76 1.01 -0.43 1.57 0.05 -1.96 -0.85 116.97 117.12 2aur h TYR 4 Ca 0.12 -0.09 -0.13 0.00 0.05 0.00 0.00 58.73 58.68 2aur h TYR 4 Cb 0.64 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 2aur h TYR 4 CO 0.04 0.81 -0.24 -0.44 -1.05 0.00 0.00 178.16 177.28 2aur h ASP 5 N 0.95 0.91 -0.21 3.88 3.32 -1.92 -2.24 116.42 121.11 2aur h ASP 5 Ca 0.21 -0.35 -0.08 0.00 0.02 0.00 0.00 57.03 56.83 2aur h ASP 5 Cb 0.28 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2aur h ASP 5 CO -0.01 1.11 -0.14 0.00 -1.72 0.00 0.00 179.24 178.48 2aur h ALA 6 N 0.95 1.11 0.00 3.45 0.00 -0.99 -1.95 119.26 121.84 2aur h ALA 6 Ca 0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2aur h ALA 6 Cb 0.79 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2aur h ALA 6 CO 0.07 0.55 -0.19 0.00 0.00 0.00 0.00 179.25 179.68 2aur h ALA 7 N 1.29 1.63 0.00 0.00 0.00 -0.75 -1.80 119.26 119.63 2aur h ALA 7 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2aur h ALA 7 Cb 0.57 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2aur h ALA 7 CO 0.04 0.23 -0.01 0.00 0.00 0.00 0.00 179.25 179.51 2aur h ALA 8 N 1.81 1.08 0.00 0.00 0.00 -0.77 -0.05 119.26 121.33 2aur h ALA 8 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2aur h ALA 8 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2aur h ALA 8 CO 0.02 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.32 2aur n GLN 9 N -3.20 0.23 -2.64 0.00 1.13 -0.68 -4.39 117.38 107.83 2aur n GLN 9 Ca -0.03 0.27 -0.43 0.00 -1.94 0.00 0.00 57.00 54.87 2aur n GLN 9 Cb 0.10 -1.81 -0.00 0.00 0.11 0.00 0.00 30.24 28.64 2aur n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2aur s LEU 10 N -4.46 4.03 1.02 1.08 1.43 -0.04 -4.93 118.68 116.82 2aur s LEU 10 Ca 0.09 -2.53 -0.15 0.00 -1.03 0.00 0.00 54.13 50.51 2aur s LEU 10 Cb 0.12 -2.55 0.20 0.00 0.03 0.00 0.00 46.19 43.99 2aur s LEU 10 CO 0.53 -1.10 1.17 0.42 0.23 0.00 0.00 176.35 177.60 2aur s THR 11 N 3.80 1.88 0.32 5.49 -4.23 -1.26 -4.73 115.64 116.91 2aur s THR 11 Ca 0.52 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.04 2aur s THR 11 Cb 0.03 -2.70 0.27 0.00 1.34 0.00 0.00 72.50 71.44 2aur s THR 11 CO 0.07 0.00 1.97 0.00 -0.54 0.00 0.00 174.62 176.12 2aur h ALA 12 N -1.90 1.52 -0.01 3.99 0.00 -1.97 -0.15 119.26 120.74 2aur h ALA 12 Ca -0.48 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.16 2aur h ALA 12 Cb 1.30 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.82 2aur h ALA 12 CO 0.48 0.42 -0.96 -0.44 0.00 0.00 0.00 179.25 178.75 2aur h ASP 13 N 0.97 0.65 -0.30 0.00 3.32 -1.99 -2.39 116.42 116.68 2aur h ASP 13 Ca 0.30 -0.51 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 2aur h ASP 13 Cb 0.00 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2aur h ASP 13 CO -0.08 1.31 0.10 0.58 -1.72 0.00 0.00 179.24 179.43 2aur h VAL 14 N 0.29 1.20 -0.64 -1.35 2.07 -1.79 -1.97 116.25 114.05 2aur h VAL 14 Ca -0.09 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 2aur h VAL 14 Cb 1.60 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 2aur h VAL 14 CO 0.17 0.21 0.26 0.11 0.02 0.00 0.00 177.57 178.34 2aur h LYS 15 N 0.34 0.93 -0.58 1.57 1.57 -1.07 -1.56 116.57 117.76 2aur h LYS 15 Ca 0.10 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2aur h LYS 15 Cb 0.23 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2aur h LYS 15 CO -0.00 0.76 0.13 -0.22 -0.57 0.00 0.00 179.45 179.54 2aur h LYS 16 N 0.92 0.91 -0.04 3.15 1.63 -1.19 -1.57 116.57 120.38 2aur h LYS 16 Ca 0.22 -0.20 -0.17 0.00 -0.85 0.00 0.00 60.65 59.65 2aur h LYS 16 Cb 0.17 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2aur h LYS 16 CO -0.02 0.82 -0.72 -0.44 -3.45 0.00 0.00 179.45 175.64 2aur h ASP 17 N 0.87 0.26 -0.16 4.20 3.32 -0.88 -1.96 116.42 122.06 2aur h ASP 17 Ca 0.19 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 2aur h ASP 17 Cb 0.33 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2aur h ASP 17 CO 0.00 0.89 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.28 2aur h LEU 18 N 0.14 0.34 -0.91 1.55 3.38 -0.96 -1.18 115.31 117.67 2aur h LEU 18 Ca -0.02 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 2aur h LEU 18 Cb 1.27 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2aur h LEU 18 CO 0.11 0.66 0.03 0.03 0.09 0.00 0.00 178.44 179.37 2aur h ARG 19 N 0.02 0.84 -0.03 1.13 3.08 -1.32 -0.27 114.38 117.83 2aur h ARG 19 Ca 0.04 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2aur h ARG 19 Cb 0.53 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2aur h ARG 19 CO 0.02 0.82 -0.03 -0.44 -1.07 0.00 0.00 179.97 179.27 2aur h ASP 20 N 0.79 0.08 0.08 7.04 5.19 -1.31 -2.26 116.42 126.03 2aur h ASP 20 Ca 0.16 -0.48 -0.10 0.00 -0.62 0.00 0.00 57.03 55.99 2aur h ASP 20 Cb 0.43 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2aur h ASP 20 CO 0.02 0.54 -0.32 0.77 -3.12 0.00 0.00 179.24 177.13 2aur h SER 21 N -0.39 0.36 0.61 6.45 4.64 -1.20 -2.77 113.55 121.25 2aur h SER 21 Ca 0.00 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 2aur h SER 21 Cb 0.52 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2aur h SER 21 CO 0.01 0.66 -0.33 -0.25 -0.87 0.00 0.00 176.83 176.05 2aur h TRP 22 N 0.30 0.00 0.00 4.77 2.91 -1.04 -1.14 115.95 121.76 2aur h TRP 22 Ca 0.04 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.06 2aur h TRP 22 Cb 0.72 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.37 2aur h TRP 22 CO 0.02 0.33 0.00 -0.22 -1.03 0.00 0.00 178.44 177.54 2aur h LYS 23 N 0.00 0.00 0.00 2.65 3.64 -1.10 0.22 116.57 121.99 2aur h LYS 23 Ca -0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 2aur h LYS 23 Cb 0.73 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 2aur h LYS 23 CO 0.04 0.00 -1.50 0.28 -2.27 0.00 0.00 179.45 176.01 2aur n VAL 24 N -2.99 1.30 -0.30 2.00 0.31 -0.94 -4.25 118.33 113.46 2aur n VAL 24 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2aur n VAL 24 Cb 0.10 -1.97 0.13 0.00 -0.91 0.00 0.00 33.84 31.19 2aur n VAL 24 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2aur h ILE 25 N -0.76 1.05 0.00 2.52 1.08 -1.18 -1.80 117.51 118.41 2aur h ILE 25 Ca -0.28 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 2aur h ILE 25 Cb 1.13 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 2aur h ILE 25 CO -0.17 0.17 0.00 0.61 -0.69 0.00 0.00 178.15 178.08 2aur n GLY 26 N -1.32 -1.04 0.09 5.37 0.00 0.78 -3.30 105.19 105.76 2aur n GLY 26 Ca 0.12 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.11 2aur n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aur n SER 27 N -1.12 0.68 -3.39 1.61 3.41 -0.68 -4.08 113.62 110.05 2aur n SER 27 Ca 0.18 0.57 -0.27 0.00 -0.26 0.00 0.00 58.87 59.09 2aur n SER 27 Cb 0.15 -0.75 -0.10 0.00 -0.26 0.00 0.00 64.21 63.26 2aur n SER 27 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2aur n ASP 28 N -2.14 -0.12 -0.10 4.04 2.03 -1.21 -4.99 116.55 114.06 2aur n ASP 28 Ca 0.06 -2.49 -0.05 0.00 0.52 0.00 0.00 54.79 52.83 2aur n ASP 28 Cb 0.41 -0.58 0.15 0.00 -0.72 0.00 0.00 41.12 40.38 2aur n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2aur h LYS 29 N 5.34 0.77 0.07 -0.67 1.57 -1.75 -0.11 116.57 121.79 2aur h LYS 29 Ca 0.23 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2aur h LYS 29 Cb 0.89 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2aur h LYS 29 CO 0.41 0.82 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.85 2aur h LYS 30 N 0.71 -0.09 0.24 3.15 3.64 -1.92 -0.24 116.57 122.06 2aur h LYS 30 Ca 0.13 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2aur h LYS 30 Cb 0.51 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2aur h LYS 30 CO 0.03 0.38 -0.11 0.78 -2.27 0.00 0.00 179.45 178.25 2aur h GLY 31 N -0.61 -0.33 2.00 5.01 0.00 -1.97 -2.06 103.07 105.11 2aur h GLY 31 Ca -0.01 0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.33 2aur h GLY 31 CO 0.02 -0.12 -0.56 3.43 0.00 0.00 0.00 176.54 179.31 2aur h ASN 32 N -0.48 0.00 -0.10 0.19 2.35 -1.14 -2.01 115.58 114.39 2aur h ASN 32 Ca -0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2aur h ASN 32 Cb 0.36 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 2aur h ASN 32 CO 0.05 0.56 -0.01 1.23 -1.65 0.00 0.00 177.43 177.61 2aur h GLY 33 N 1.89 0.20 1.29 2.83 0.00 -1.00 -1.74 103.07 106.54 2aur h GLY 33 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 2aur h GLY 33 CO 0.07 0.14 -0.06 -2.08 0.00 0.00 0.00 176.54 174.61 2aur h VAL 34 N -0.11 1.26 -0.71 4.60 2.07 -1.37 -2.06 116.25 119.93 2aur h VAL 34 Ca 0.03 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.45 2aur h VAL 34 Cb 0.38 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2aur h VAL 34 CO 0.01 0.39 0.47 0.00 0.02 0.00 0.00 177.57 178.46 2aur h ALA 35 N 1.15 1.60 0.17 1.67 0.00 -1.24 -0.31 119.26 122.30 2aur h ALA 35 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2aur h ALA 35 Cb 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2aur h ALA 35 CO 0.03 0.32 -0.08 -0.07 0.00 0.00 0.00 179.25 179.45 2aur h LEU 36 N 0.85 -0.19 -0.70 0.00 3.38 -0.64 -2.28 115.31 115.73 2aur h LEU 36 Ca 0.28 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2aur h LEU 36 Cb 0.07 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2aur h LEU 36 CO -0.08 0.10 0.33 0.24 0.09 0.00 0.00 178.44 179.12 2aur h MET 37 N -0.51 1.01 -0.20 1.13 2.86 -1.03 -1.19 114.93 117.01 2aur h MET 37 Ca -0.02 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.37 2aur h MET 37 Cb 0.39 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2aur h MET 37 CO 0.04 0.80 -0.29 1.79 1.06 0.00 0.00 176.91 180.31 2aur h THR 38 N 0.97 1.27 -0.12 2.22 1.35 -1.12 -1.67 112.91 115.81 2aur h THR 38 Ca 0.24 -1.30 -0.15 0.00 -0.55 0.00 0.00 66.41 64.64 2aur h THR 38 Cb 0.13 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 2aur h THR 38 CO -0.03 0.41 -0.58 0.74 -0.25 0.00 0.00 175.52 175.81 2aur h THR 39 N 0.34 1.35 0.01 6.82 2.02 -1.11 -1.44 112.91 120.90 2aur h THR 39 Ca 0.05 -1.88 -0.00 0.00 0.77 0.00 0.00 66.41 65.35 2aur h THR 39 Cb 0.69 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2aur h THR 39 CO 0.05 0.57 -0.00 0.25 0.37 0.00 0.00 175.52 176.76 2aur h LEU 40 N 0.30 -0.01 -1.59 2.58 5.85 -0.86 -0.86 115.31 120.72 2aur h LEU 40 Ca -0.00 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 2aur h LEU 40 Cb 1.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2aur h LEU 40 CO 0.10 0.21 -0.21 -0.26 -0.34 0.00 0.00 178.44 177.93 2aur h PHE 41 N -0.22 0.00 -0.00 1.25 0.04 -1.26 0.26 116.94 117.00 2aur h PHE 41 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2aur h PHE 41 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2aur h PHE 41 CO -0.00 0.21 -0.06 0.00 -0.60 0.00 0.00 178.31 177.86 2aur h ALA 42 N 1.79 0.01 0.00 2.45 0.00 -1.05 -2.95 119.26 119.51 2aur h ALA 42 Ca -0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 2aur h ALA 42 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2aur h ALA 42 CO 0.03 -0.07 -0.82 -0.44 0.00 0.00 0.00 179.25 177.95 2aur h ASP 43 N -0.70 0.00 -2.42 0.00 3.32 -1.07 -3.38 116.42 112.18 2aur h ASP 43 Ca -0.01 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.45 2aur h ASP 43 Cb 0.82 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.97 2aur h ASP 43 CO 0.01 0.82 -0.85 0.59 -1.72 0.00 0.00 179.24 178.09 2aur n ASN 44 N -3.47 1.25 -0.15 6.45 4.13 0.91 -4.97 115.26 119.41 2aur n ASN 44 Ca -0.00 -2.84 0.26 0.00 1.68 0.00 0.00 54.58 53.68 2aur n ASN 44 Cb 0.81 -0.64 0.70 0.00 -1.54 0.00 0.00 39.78 39.11 2aur n ASN 44 CO 0.00 0.00 0.00 0.06 0.28 0.00 0.00 177.26 177.60 2aur h GLN 45 N 4.92 0.03 -0.04 3.52 3.07 -1.70 -1.75 115.11 123.17 2aur h GLN 45 Ca 0.18 -0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.88 2aur h GLN 45 Cb 0.82 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.37 2aur h GLN 45 CO 0.56 0.02 -0.14 1.05 0.09 0.00 0.00 178.83 180.41 2aur h GLU 46 N 0.03 0.06 0.00 0.06 9.09 -1.92 -2.40 114.58 119.50 2aur h GLU 46 Ca 0.40 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.80 2aur h GLU 46 Cb 1.53 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.62 2aur h GLU 46 CO -0.02 0.20 0.00 0.25 0.05 0.00 0.00 179.01 179.49 2aur n THR 47 N -4.34 1.27 0.23 -1.06 -2.24 -0.66 -1.81 114.28 105.67 2aur n THR 47 Ca -0.02 0.52 0.07 0.00 -2.27 0.00 0.00 64.05 62.35 2aur n THR 47 Cb 0.23 -1.47 0.54 0.00 -2.10 0.00 0.00 70.33 67.52 2aur n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2aur h ILE 48 N 0.00 0.92 0.00 2.28 2.04 -1.61 -2.67 117.51 118.48 2aur h ILE 48 Ca 0.00 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2aur h ILE 48 Cb 0.10 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2aur h ILE 48 CO 0.00 0.22 0.04 0.61 0.00 0.00 0.00 178.15 179.02 2aur n GLY 49 N -0.63 -0.76 0.02 5.37 0.00 -0.75 -0.48 105.19 107.95 2aur n GLY 49 Ca -0.02 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2aur n GLY 49 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2aur n TYR 50 N -2.09 0.14 -1.60 1.61 4.01 -1.00 -4.37 117.16 113.87 2aur n TYR 50 Ca -0.01 0.04 -0.12 0.00 -0.16 0.00 0.00 57.90 57.65 2aur n TYR 50 Cb 0.07 -0.31 0.14 0.00 -0.31 0.00 0.00 39.34 38.93 2aur n TYR 50 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2aur n PHE 51 N -1.73 1.70 0.17 -0.72 3.72 0.37 -4.73 117.46 116.24 2aur n PHE 51 Ca 0.04 -1.93 0.14 0.00 -0.05 0.00 0.00 57.45 55.64 2aur n PHE 51 Cb 0.38 -0.56 0.70 0.00 -0.94 0.00 0.00 39.48 39.06 2aur n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2aur h LYS 52 N 1.42 0.00 0.00 -1.08 3.64 -1.76 -0.83 116.57 117.95 2aur h LYS 52 Ca 0.29 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 2aur h LYS 52 Cb 1.49 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.31 2aur h LYS 52 CO 0.60 0.00 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.61 2aur h ARG 53 N 0.00 0.00 0.00 1.90 2.43 -1.94 -2.66 114.38 114.11 2aur h ARG 53 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2aur h ARG 53 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2aur h ARG 53 CO -0.00 0.09 0.00 1.28 -1.51 0.00 0.00 179.97 179.82 2aur n LEU 54 N -3.43 0.62 0.00 3.80 4.77 -0.32 -5.02 117.00 117.42 2aur n LEU 54 Ca -0.01 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2aur n LEU 54 Cb 0.24 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2aur n LEU 54 CO 0.28 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 2aur n GLY 55 N 1.14 0.49 3.56 -0.72 0.00 -1.00 -4.55 105.19 104.10 2aur n GLY 55 Ca 0.05 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 2aur n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aur s ASP 56 N -4.00 5.33 0.00 1.61 3.68 -1.26 -4.79 116.67 117.24 2aur s ASP 56 Ca 0.00 -0.86 0.16 0.00 2.13 0.00 0.00 52.55 53.98 2aur s ASP 56 Cb 0.00 -2.56 0.68 0.00 -1.45 0.00 0.00 42.92 39.59 2aur s ASP 56 CO 0.00 -2.59 1.49 1.33 0.13 0.00 0.00 175.17 175.54 2aur n VAL 57 N 7.73 0.88 0.73 1.11 0.24 -1.26 -2.62 118.33 125.13 2aur n VAL 57 Ca 0.40 0.22 0.12 0.00 -2.04 0.00 0.00 64.34 63.03 2aur n VAL 57 Cb 0.47 -0.95 0.48 0.00 -1.47 0.00 0.00 33.84 32.37 2aur n VAL 57 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2aur n SER 58 N -1.47 0.24 0.14 -1.34 3.41 -1.26 -2.40 113.62 110.93 2aur n SER 58 Ca 0.04 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 2aur n SER 58 Cb 0.18 -0.59 0.42 0.00 -0.26 0.00 0.00 64.21 63.95 2aur n SER 58 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2aur h GLN 59 N 0.00 0.00 0.00 4.33 4.20 -1.92 -3.48 115.11 118.24 2aur h GLN 59 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2aur h GLN 59 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2aur h GLN 59 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2aur n GLY 60 N 0.83 3.15 0.47 3.46 0.00 -1.01 -2.48 105.19 109.61 2aur n GLY 60 Ca 0.04 -0.14 0.33 0.00 0.00 0.00 0.00 46.02 46.25 2aur n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2aur h MET 61 N 0.00 0.17 0.00 1.61 1.85 -1.93 0.25 114.93 116.88 2aur h MET 61 Ca 0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2aur h MET 61 Cb 0.00 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 31.99 2aur h MET 61 CO 0.00 0.11 0.00 0.00 -0.40 0.00 0.00 176.91 176.62 2aur h ALA 62 N 1.55 1.00 -1.76 0.39 0.00 -1.90 -3.42 119.26 115.11 2aur h ALA 62 Ca 0.72 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 55.03 2aur h ALA 62 Cb 2.26 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.93 2aur h ALA 62 CO -0.30 0.00 0.64 1.21 0.00 0.00 0.00 179.25 180.80 2aur s ASN 63 N -4.39 6.36 0.23 0.00 3.04 0.88 -4.93 114.94 116.12 2aur s ASN 63 Ca 0.05 -0.27 -0.08 0.00 0.04 0.00 0.00 52.86 52.60 2aur s ASN 63 Cb 0.10 -2.46 0.38 0.00 -1.54 0.00 0.00 41.25 37.73 2aur s ASN 63 CO 0.43 -1.28 1.69 0.44 -3.04 0.00 0.00 177.10 175.34 2aur h ASP 64 N 9.36 -0.05 -0.40 -4.21 3.32 -1.85 0.39 116.42 122.98 2aur h ASP 64 Ca -0.26 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 2aur h ASP 64 Cb 1.07 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 2aur h ASP 64 CO 1.11 -0.04 0.15 0.11 -1.72 0.00 0.00 179.24 178.85 2aur h LYS 65 N 0.24 0.60 -0.33 3.56 1.57 -1.92 0.28 116.57 120.58 2aur h LYS 65 Ca 0.37 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 2aur h LYS 65 Cb 0.60 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2aur h LYS 65 CO -0.49 0.58 0.05 1.25 -0.57 0.00 0.00 179.45 180.27 2aur h LEU 66 N 0.50 0.53 -0.65 2.94 5.85 -1.56 -0.49 115.31 122.44 2aur h LEU 66 Ca 0.13 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2aur h LEU 66 Cb 0.20 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2aur h LEU 66 CO -0.01 0.66 0.35 -0.09 -0.34 0.00 0.00 178.44 179.01 2aur h ARG 67 N 0.38 0.91 -0.69 1.25 2.43 -0.09 -0.41 114.38 118.17 2aur h ARG 67 Ca 0.10 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2aur h ARG 67 Cb 0.36 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 2aur h ARG 67 CO 0.01 0.70 0.31 0.78 -1.51 0.00 0.00 179.97 180.25 2aur h GLY 68 N 0.89 1.06 0.84 2.80 0.00 -0.20 -2.28 103.07 106.17 2aur h GLY 68 Ca 0.23 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 2aur h GLY 68 CO -0.03 0.49 -0.23 0.84 0.00 0.00 0.00 176.54 177.61 2aur h HIS 69 N 0.98 0.62 -0.78 5.60 -0.00 -0.58 -2.91 115.15 118.08 2aur h HIS 69 Ca 0.24 -0.19 -0.02 0.00 -0.00 0.00 0.00 60.37 60.40 2aur h HIS 69 Cb 0.13 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.38 2aur h HIS 69 CO 0.01 0.87 0.42 0.77 -0.00 0.00 0.00 177.93 180.00 2aur h SER 70 N 0.18 0.98 -0.57 3.26 0.02 -0.92 -1.22 113.55 115.27 2aur h SER 70 Ca 0.03 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 2aur h SER 70 Cb 0.78 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2aur h SER 70 CO 0.05 0.80 -0.02 0.40 -1.14 0.00 0.00 176.83 176.93 2aur h ILE 71 N 1.08 1.27 -0.17 3.27 2.04 -1.48 -2.68 117.51 120.83 2aur h ILE 71 Ca 0.27 -1.16 -0.08 0.00 1.00 0.00 0.00 64.86 64.90 2aur h ILE 71 Cb 0.05 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2aur h ILE 71 CO -0.04 0.42 -0.23 0.74 0.00 0.00 0.00 178.15 179.04 2aur h THR 72 N 0.91 1.24 -0.60 -0.27 2.02 -1.28 -2.68 112.91 112.24 2aur h THR 72 Ca 0.16 -1.10 -0.09 0.00 0.77 0.00 0.00 66.41 66.14 2aur h THR 72 Cb 0.57 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 2aur h THR 72 CO 0.03 0.34 0.02 0.25 0.37 0.00 0.00 175.52 176.53 2aur h LEU 73 N 0.28 1.02 -1.70 2.58 6.46 -0.96 -2.66 115.31 120.33 2aur h LEU 73 Ca 0.05 -0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 57.50 2aur h LEU 73 Cb 0.56 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 2aur h LEU 73 CO 0.04 1.06 -0.10 0.24 -0.62 0.00 0.00 178.44 179.06 2aur h MET 74 N 0.96 0.07 0.00 1.25 2.86 -1.16 -1.40 114.93 117.51 2aur h MET 74 Ca 0.18 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2aur h MET 74 Cb 0.53 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2aur h MET 74 CO 0.03 0.17 0.00 0.66 1.06 0.00 0.00 176.91 178.83 2aur n TYR 75 N -4.38 0.87 0.04 -0.22 4.01 -1.01 -0.92 117.16 115.55 2aur n TYR 75 Ca -0.02 0.29 -0.20 0.00 -0.16 0.00 0.00 57.90 57.81 2aur n TYR 75 Cb 0.19 -0.97 -0.12 0.00 -0.31 0.00 0.00 39.34 38.14 2aur n TYR 75 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2aur h ALA 76 N 2.43 0.03 -0.43 -0.72 0.00 -1.20 -1.95 119.26 117.42 2aur h ALA 76 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 54.15 2aur h ALA 76 Cb 0.59 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2aur h ALA 76 CO 0.00 0.48 -0.12 -0.07 0.00 0.00 0.00 179.25 179.54 2aur h LEU 77 N 0.01 0.78 -1.07 0.00 3.38 -1.30 -1.02 115.31 116.09 2aur h LEU 77 Ca -0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2aur h LEU 77 Cb 1.58 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.08 2aur h LEU 77 CO 0.17 0.91 0.46 -0.61 0.09 0.00 0.00 178.44 179.46 2aur h GLN 78 N 0.71 1.11 0.04 1.13 5.75 -1.01 -0.66 115.11 122.17 2aur h GLN 78 Ca 0.12 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2aur h GLN 78 Cb 0.60 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.93 2aur h GLN 78 CO 0.04 0.80 -0.02 -0.97 -2.65 0.00 0.00 178.83 176.03 2aur h ASN 79 N 1.12 -0.04 -0.64 -0.69 -0.73 -0.63 -2.12 115.58 111.85 2aur h ASN 79 Ca 0.29 -0.20 0.03 0.00 1.87 0.00 0.00 56.30 58.29 2aur h ASN 79 Cb -0.01 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.55 2aur h ASN 79 CO -0.05 0.17 0.39 -0.26 -0.37 0.00 0.00 177.43 177.32 2aur h PHE 80 N -0.26 0.74 -0.65 0.67 0.04 -0.80 -2.40 116.94 114.28 2aur h PHE 80 Ca -0.01 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 2aur h PHE 80 Cb 0.24 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2aur h PHE 80 CO -0.01 0.42 0.20 0.82 -0.60 0.00 0.00 178.31 179.15 2aur h ILE 81 N 0.77 1.24 0.00 -0.55 1.08 -1.07 -2.30 117.51 116.68 2aur h ILE 81 Ca 0.26 -0.83 -0.01 0.00 -0.39 0.00 0.00 64.86 63.89 2aur h ILE 81 Cb 0.03 0.52 -0.00 0.00 -3.07 0.00 0.00 36.82 34.30 2aur h ILE 81 CO -0.11 0.32 -0.03 0.44 -0.69 0.00 0.00 178.15 178.09 2aur h ASP 82 N 0.96 0.00 -0.39 1.72 3.32 -0.97 -3.02 116.42 118.04 2aur h ASP 82 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2aur h ASP 82 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2aur h ASP 82 CO -0.01 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 2aur n GLN 83 N -3.14 2.50 -0.16 3.56 1.13 -0.89 -4.61 117.38 115.77 2aur n GLN 83 Ca 0.00 -2.29 0.20 0.00 -1.94 0.00 0.00 57.00 52.97 2aur n GLN 83 Cb 0.32 -1.51 0.58 0.00 0.11 0.00 0.00 30.24 29.74 2aur n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2aur h LEU 84 N 4.44 0.26 -0.41 1.08 3.38 -1.36 -1.98 115.31 120.72 2aur h LEU 84 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2aur h LEU 84 Cb 0.98 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2aur h LEU 84 CO 0.00 0.12 -0.00 0.47 0.09 0.00 0.00 178.44 179.11 2aur n ASP 85 N -4.43 0.63 -3.57 -0.43 8.00 -1.26 -4.49 116.55 111.00 2aur n ASP 85 Ca 0.16 -1.19 -0.29 0.00 0.71 0.00 0.00 54.79 54.18 2aur n ASP 85 Cb 0.67 -0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.65 2aur n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2aur s ASN 86 N -2.01 3.08 0.49 -2.24 3.84 -0.74 -5.00 114.94 112.36 2aur s ASN 86 Ca 0.43 -2.58 0.36 0.00 0.21 0.00 0.00 52.86 51.28 2aur s ASN 86 Cb 0.22 -0.72 1.51 0.00 -0.55 0.00 0.00 41.25 41.71 2aur s ASN 86 CO 0.36 -0.26 1.67 -0.65 -2.79 0.00 0.00 177.10 175.43 2aur h PRO 87 N 6.60 0.07 -0.43 0.43 0.11 -1.79 0.13 132.00 137.13 2aur h PRO 87 Ca 0.07 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.09 2aur h PRO 87 Cb 0.93 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 2aur h PRO 87 CO 0.39 0.05 -0.07 -0.44 -0.21 0.00 0.00 178.00 177.71 2aur h ASP 88 N 0.08 0.81 -0.04 -2.05 3.32 -1.94 -1.94 116.42 114.65 2aur h ASP 88 Ca 0.77 -0.35 -0.23 0.00 0.02 0.00 0.00 57.03 57.24 2aur h ASP 88 Cb 2.72 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 42.06 2aur h ASP 88 CO -0.19 0.97 -0.87 0.44 -1.72 0.00 0.00 179.24 177.87 2aur h ASP 89 N 0.64 0.84 -0.94 6.45 3.32 -1.11 -2.69 116.42 122.92 2aur h ASP 89 Ca 0.11 -0.71 0.08 0.00 0.02 0.00 0.00 57.03 56.53 2aur h ASP 89 Cb 0.60 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 2aur h ASP 89 CO 0.04 1.43 0.59 0.25 -1.72 0.00 0.00 179.24 179.83 2aur h LEU 90 N 0.33 0.92 0.09 1.55 5.85 -1.27 -0.95 115.31 121.84 2aur h LEU 90 Ca -0.10 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2aur h LEU 90 Cb 1.53 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.39 2aur h LEU 90 CO 0.17 0.56 -0.05 0.58 -0.34 0.00 0.00 178.44 179.37 2aur h VAL 91 N 1.04 1.13 -0.37 1.05 2.07 -1.36 -1.04 116.25 118.77 2aur h VAL 91 Ca 0.42 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 67.02 2aur h VAL 91 Cb 0.25 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2aur h VAL 91 CO -0.20 0.23 0.25 0.00 0.02 0.00 0.00 177.57 177.88 2aur h VAL 93 N 0.26 1.35 -0.66 0.00 2.07 -1.12 -2.55 116.25 115.60 2aur h VAL 93 Ca 0.16 -2.04 -0.07 0.00 0.82 0.00 0.00 66.70 65.58 2aur h VAL 93 Cb 0.33 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 2aur h VAL 93 CO -0.03 0.62 0.14 0.58 0.02 0.00 0.00 177.57 178.90 2aur h VAL 94 N 0.18 1.26 0.00 2.57 2.07 -0.47 -2.14 116.25 119.71 2aur h VAL 94 Ca -0.08 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 2aur h VAL 94 Cb 1.38 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2aur h VAL 94 CO 0.14 0.37 -0.40 -0.33 0.02 0.00 0.00 177.57 177.38 2aur h GLU 95 N 1.01 0.00 0.11 1.57 5.08 -1.12 -1.52 114.58 119.70 2aur h GLU 95 Ca 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2aur h GLU 95 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2aur h GLU 95 CO 0.00 0.40 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.14 2aur h LYS 96 N 0.00 -0.14 -0.87 2.33 1.63 -0.98 -2.77 116.57 115.78 2aur h LYS 96 Ca -0.00 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2aur h LYS 96 Cb 0.72 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.34 2aur h LYS 96 CO 0.05 0.13 0.53 0.28 -3.45 0.00 0.00 179.45 176.99 2aur h VAL 97 N -0.41 1.24 0.00 2.00 2.07 -1.19 -2.73 116.25 117.23 2aur h VAL 97 Ca -0.01 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2aur h VAL 97 Cb 0.33 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2aur h VAL 97 CO 0.02 0.25 -0.24 0.00 0.02 0.00 0.00 177.57 177.62 2aur h ALA 98 N 1.39 1.45 -0.29 1.67 0.00 -1.23 -3.25 119.26 118.99 2aur h ALA 98 Ca 0.31 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2aur h ALA 98 Cb -0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 2aur h ALA 98 CO -0.06 0.30 -0.36 0.28 0.00 0.00 0.00 179.25 179.41 2aur h VAL 99 N 0.00 0.21 0.00 0.00 2.07 -1.19 0.17 116.25 117.51 2aur h VAL 99 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2aur h VAL 99 Cb 0.47 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2aur h VAL 99 CO 0.03 0.00 -0.32 0.78 0.02 0.00 0.00 177.57 178.08 2aur h ASN 100 N -0.34 0.00 1.54 0.57 2.35 -1.73 -2.42 115.58 115.55 2aur h ASN 100 Ca 0.13 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2aur h ASN 100 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 2aur h ASN 100 CO -0.48 0.32 -0.25 0.45 -1.65 0.00 0.00 177.43 175.82 2aur h HIS 101 N 0.00 0.00 -0.08 1.19 3.86 -1.42 -2.40 115.15 116.30 2aur h HIS 101 Ca -0.00 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 2aur h HIS 101 Cb 0.64 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.12 2aur h HIS 101 CO 0.00 0.25 -0.69 0.82 0.86 0.00 0.00 177.93 179.17 2aur h ILE 102 N 0.00 1.34 0.00 2.45 2.04 -0.62 -1.54 117.51 121.18 2aur h ILE 102 Ca -0.00 -1.99 -0.02 0.00 1.00 0.00 0.00 64.86 63.85 2aur h ILE 102 Cb 1.09 2.25 -0.00 0.00 -0.74 0.00 0.00 36.82 39.42 2aur h ILE 102 CO 0.03 0.61 -0.11 0.74 0.00 0.00 0.00 178.15 179.41 2aur h THR 103 N 0.23 0.95 -0.01 -0.27 2.02 -1.35 -0.56 112.91 113.93 2aur h THR 103 Ca -0.06 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2aur h THR 103 Cb 1.34 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2aur h THR 103 CO 0.14 0.11 0.00 0.54 0.37 0.00 0.00 175.52 176.68 2aur n ARG 104 N -4.22 1.28 -3.38 6.66 1.74 -0.91 -4.92 116.66 112.92 2aur n ARG 104 Ca -0.03 -0.41 -0.19 0.00 -0.77 0.00 0.00 57.85 56.46 2aur n ARG 104 Cb 0.19 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.21 2aur n ARG 104 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2aur n LYS 105 N -0.50 -6.42 -3.32 5.56 5.02 -0.22 -4.98 118.16 113.30 2aur n LYS 105 Ca 0.22 0.67 -0.44 0.00 -2.02 0.00 0.00 58.31 56.74 2aur n LYS 105 Cb 0.21 -5.23 -0.08 0.00 -0.02 0.00 0.00 35.03 29.91 2aur n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2aur s ILE 106 N -3.26 5.11 1.07 -0.18 1.01 -0.59 -5.05 121.20 119.30 2aur s ILE 106 Ca 0.46 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 2aur s ILE 106 Cb -0.20 -4.12 0.22 0.00 0.01 0.00 0.00 42.46 38.37 2aur s ILE 106 CO 0.59 -0.55 1.09 -0.94 0.00 0.00 0.00 174.94 175.12 2aur s SER 107 N 2.27 2.03 0.18 3.58 1.04 -1.26 -4.68 113.70 116.85 2aur s SER 107 Ca 0.09 1.07 -0.08 0.00 0.48 0.00 0.00 55.95 57.52 2aur s SER 107 Cb -0.20 -1.66 0.07 0.00 0.10 0.00 0.00 66.02 64.32 2aur s SER 107 CO 0.10 -3.49 1.55 0.00 0.98 0.00 0.00 173.24 172.39 2aur h ALA 108 N -2.14 0.72 -0.68 5.32 0.00 -1.89 -1.30 119.26 119.30 2aur h ALA 108 Ca -0.54 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 53.90 2aur h ALA 108 Cb 1.33 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2aur h ALA 108 CO 0.52 0.66 0.19 0.00 0.00 0.00 0.00 179.25 180.63 2aur h ALA 109 N 0.92 1.04 -0.53 0.00 0.00 -1.94 -0.35 119.26 118.40 2aur h ALA 109 Ca 0.08 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2aur h ALA 109 Cb 0.86 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2aur h ALA 109 CO 0.08 0.64 -0.11 1.49 0.00 0.00 0.00 179.25 181.34 2aur h GLU 110 N 1.02 1.01 -0.57 0.00 4.57 -1.87 -2.93 114.58 115.80 2aur h GLU 110 Ca 0.22 -0.38 -0.08 0.00 -1.18 0.00 0.00 59.36 57.93 2aur h GLU 110 Cb 0.32 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 2aur h GLU 110 CO -0.00 1.06 0.02 0.35 -1.18 0.00 0.00 179.01 179.26 2aur h PHE 111 N 0.88 1.04 0.00 0.92 3.57 -0.88 -2.83 116.94 119.64 2aur h PHE 111 Ca 0.14 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2aur h PHE 111 Cb 0.68 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2aur h PHE 111 CO 0.05 0.92 0.09 0.78 -2.23 0.00 0.00 178.31 177.91 2aur h GLY 112 N 1.00 0.00 2.00 2.40 0.00 -0.87 -2.14 103.07 105.46 2aur h GLY 112 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2aur h GLY 112 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 2aur n LYS 113 N -2.62 0.05 0.03 4.80 5.02 -1.07 -1.58 118.16 122.78 2aur n LYS 113 Ca -0.02 0.43 0.12 0.00 -2.02 0.00 0.00 58.31 56.82 2aur n LYS 113 Cb 0.14 -1.62 0.51 0.00 -0.02 0.00 0.00 35.03 34.03 2aur n LYS 113 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2aur n ILE 114 N -1.71 0.37 -0.15 -0.18 0.13 -0.81 -3.59 119.36 113.42 2aur n ILE 114 Ca 0.01 0.02 -0.09 0.00 -1.10 0.00 0.00 62.75 61.59 2aur n ILE 114 Cb 0.09 -0.67 -0.00 0.00 -0.84 0.00 0.00 39.64 38.22 2aur n ILE 114 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 2aur h ASN 115 N 0.00 0.69 0.33 9.51 -0.26 -1.54 -2.34 115.58 121.98 2aur h ASN 115 Ca 0.00 -0.25 -0.00 0.00 -0.56 0.00 0.00 56.30 55.49 2aur h ASN 115 Cb 0.48 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.54 2aur h ASN 115 CO 0.00 0.76 -0.29 1.23 -1.06 0.00 0.00 177.43 178.07 2aur h GLY 116 N 0.59 -0.69 0.23 2.83 0.00 -1.78 -0.48 103.07 103.77 2aur h GLY 116 Ca 0.14 0.33 0.11 0.00 0.00 0.00 0.00 47.33 47.91 2aur h GLY 116 CO 0.01 -0.26 0.18 -2.55 0.00 0.00 0.00 176.54 173.91 2aur h PRO 117 N -0.64 0.32 -0.13 4.80 0.11 -1.74 -1.29 132.00 133.43 2aur h PRO 117 Ca -0.02 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.08 2aur h PRO 117 Cb 0.57 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 2aur h PRO 117 CO -0.03 0.21 0.06 0.82 -0.21 0.00 0.00 178.00 178.85 2aur h ILE 118 N 0.33 0.99 -0.51 4.15 2.04 -1.16 0.09 117.51 123.44 2aur h ILE 118 Ca 0.33 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 66.21 2aur h ILE 118 Cb 0.47 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 2aur h ILE 118 CO -0.38 0.03 0.20 0.50 0.00 0.00 0.00 178.15 178.50 2aur h LYS 119 N 0.14 0.38 -0.47 2.37 3.64 -0.31 0.12 116.57 122.44 2aur h LYS 119 Ca 0.05 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2aur h LYS 119 Cb 0.01 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2aur h LYS 119 CO -0.04 0.25 0.11 0.87 -2.27 0.00 0.00 179.45 178.36 2aur h LYS 120 N 0.39 0.75 -0.70 1.90 1.57 -0.93 -1.37 116.57 118.18 2aur h LYS 120 Ca 0.24 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2aur h LYS 120 Cb 0.24 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2aur h LYS 120 CO -0.23 0.75 0.24 0.28 -0.57 0.00 0.00 179.45 179.91 2aur h VAL 121 N 0.63 1.25 -0.69 0.50 2.07 -0.45 -1.56 116.25 118.00 2aur h VAL 121 Ca 0.15 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 2aur h VAL 121 Cb 0.34 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2aur h VAL 121 CO 0.00 0.33 0.17 -0.07 0.02 0.00 0.00 177.57 178.02 2aur h LEU 122 N 1.02 1.04 -1.16 2.57 3.38 -0.53 -2.77 115.31 118.85 2aur h LEU 122 Ca 0.23 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2aur h LEU 122 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2aur h LEU 122 CO -0.01 0.99 -0.42 0.00 0.09 0.00 0.00 178.44 179.09 2aur h ALA 123 N 1.13 1.30 0.00 1.53 0.00 -0.75 -0.19 119.26 122.28 2aur h ALA 123 Ca 0.22 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2aur h ALA 123 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2aur h ALA 123 CO 0.00 0.52 0.00 0.66 0.00 0.00 0.00 179.25 180.43 2aur h SER 124 N 0.00 0.00 -0.29 0.00 4.64 -1.01 -0.55 113.55 116.34 2aur h SER 124 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aur h SER 124 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2aur h SER 124 CO 0.05 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 2aur n LYS 125 N -2.97 2.14 -2.77 4.77 4.76 -0.76 -4.98 118.16 118.35 2aur n LYS 125 Ca -0.00 -1.97 -0.06 0.00 -2.87 0.00 0.00 58.31 53.40 2aur n LYS 125 Cb 0.21 -1.38 0.02 0.00 -1.84 0.00 0.00 35.03 32.04 2aur n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2aur n ASN 126 N 1.05 -3.11 -4.23 4.39 3.02 -0.22 -5.04 115.26 111.12 2aur n ASN 126 Ca 0.14 -0.15 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 2aur n ASN 126 Cb 0.49 -1.73 -0.13 0.00 -0.61 0.00 0.00 39.78 37.80 2aur n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2aur s PHE 127 N -3.09 3.28 0.11 3.10 0.08 -0.15 -4.98 117.98 116.33 2aur s PHE 127 Ca 0.15 -1.65 -0.02 0.00 0.12 0.00 0.00 56.93 55.54 2aur s PHE 127 Cb -0.07 -2.30 0.03 0.00 -0.57 0.00 0.00 43.02 40.11 2aur s PHE 127 CO 0.20 -0.77 0.08 0.41 -0.10 0.00 0.00 175.22 175.03 2aur n GLY 128 N 4.74 -3.11 0.32 4.36 0.00 -1.26 -3.66 105.19 106.57 2aur n GLY 128 Ca -0.12 -1.34 0.11 0.00 0.00 0.00 0.00 46.02 44.67 2aur n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2aur h ASP 129 N -1.64 0.20 -0.67 1.61 3.32 -1.98 -2.07 116.42 115.19 2aur h ASP 129 Ca -0.03 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.14 2aur h ASP 129 Cb 0.10 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.52 2aur h ASP 129 CO 0.02 0.13 0.24 0.50 -1.72 0.00 0.00 179.24 178.41 2aur h LYS 130 N 0.23 0.39 0.01 3.56 3.64 -1.99 0.45 116.57 122.85 2aur h LYS 130 Ca 0.17 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.33 2aur h LYS 130 Cb 0.37 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2aur h LYS 130 CO -0.03 0.26 -0.91 1.88 -2.27 0.00 0.00 179.45 178.38 2aur h TYR 131 N 0.40 0.19 -0.68 1.91 0.05 -1.70 -2.81 116.97 114.33 2aur h TYR 131 Ca 0.36 -0.11 -0.07 0.00 0.05 0.00 0.00 58.73 58.95 2aur h TYR 131 Cb 0.50 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.20 2aur h TYR 131 CO -0.18 0.96 0.15 0.00 -1.05 0.00 0.00 178.16 178.03 2aur h ALA 132 N 1.00 0.90 -0.26 3.88 0.00 -0.69 -1.94 119.26 122.16 2aur h ALA 132 Ca -0.04 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 2aur h ALA 132 Cb 1.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2aur h ALA 132 CO 0.13 0.64 -0.30 -0.91 0.00 0.00 0.00 179.25 178.81 2aur h ASN 133 N 1.03 0.54 -0.25 0.00 2.35 -0.17 -1.64 115.58 117.43 2aur h ASN 133 Ca 0.21 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2aur h ASN 133 Cb 0.40 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2aur h ASN 133 CO 0.01 0.81 0.13 0.00 -1.65 0.00 0.00 177.43 176.73 2aur h ALA 134 N 1.23 0.33 -0.02 -0.83 0.00 -1.20 -2.54 119.26 116.22 2aur h ALA 134 Ca 0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2aur h ALA 134 Cb 0.75 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2aur h ALA 134 CO 0.06 -0.13 -0.37 -1.49 0.00 0.00 0.00 179.25 177.32 2aur h TRP 135 N 0.29 0.04 -0.14 0.00 4.06 -1.18 -2.13 115.95 116.89 2aur h TRP 135 Ca 0.09 -0.01 -0.05 0.00 2.06 0.00 0.00 58.89 60.98 2aur h TRP 135 Cb 0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 2aur h TRP 135 CO -0.03 0.40 -0.15 0.00 -3.56 0.00 0.00 178.44 175.10 2aur h ALA 136 N 1.60 1.49 -0.06 1.49 0.00 -0.96 -1.51 119.26 121.30 2aur h ALA 136 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2aur h ALA 136 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2aur h ALA 136 CO 0.05 0.36 -0.54 0.87 0.00 0.00 0.00 179.25 179.99 2aur h LYS 137 N 0.21 0.17 -0.11 0.00 1.57 -0.99 -1.51 116.57 115.91 2aur h LYS 137 Ca 0.04 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2aur h LYS 137 Cb 0.40 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2aur h LYS 137 CO 0.02 0.67 -0.38 1.25 -0.57 0.00 0.00 179.45 180.45 2aur h LEU 138 N 0.14 0.53 -1.98 2.94 5.85 -1.18 -2.93 115.31 118.69 2aur h LEU 138 Ca 0.00 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.10 2aur h LEU 138 Cb 1.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2aur h LEU 138 CO 0.08 1.05 -0.08 0.58 -0.34 0.00 0.00 178.44 179.73 2aur h VAL 139 N 0.05 0.88 0.00 1.05 2.07 -1.23 -1.30 116.25 117.76 2aur h VAL 139 Ca -0.01 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2aur h VAL 139 Cb 1.01 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2aur h VAL 139 CO 0.08 0.07 -0.34 0.00 0.02 0.00 0.00 177.57 177.41 2aur h ALA 140 N 1.92 1.19 -0.38 1.67 0.00 -1.09 -1.43 119.26 121.15 2aur h ALA 140 Ca -0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2aur h ALA 140 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2aur h ALA 140 CO 0.01 0.42 -0.05 0.28 0.00 0.00 0.00 179.25 179.91 2aur h VAL 141 N 0.00 1.27 -0.43 0.00 2.07 -1.13 -1.61 116.25 116.42 2aur h VAL 141 Ca -0.00 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 2aur h VAL 141 Cb 0.71 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2aur h VAL 141 CO 0.04 0.36 -0.03 0.58 0.02 0.00 0.00 177.57 178.55 2aur h VAL 142 N 0.51 1.27 -0.12 2.57 2.07 -1.48 -2.71 116.25 118.36 2aur h VAL 142 Ca 0.10 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.56 2aur h VAL 142 Cb 0.55 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2aur h VAL 142 CO 0.03 0.37 0.09 1.56 0.02 0.00 0.00 177.57 179.64 2aur h GLN 143 N 0.61 0.07 0.00 1.57 4.20 -1.11 0.41 115.11 120.85 2aur h GLN 143 Ca 0.12 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2aur h GLN 143 Cb 0.53 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2aur h GLN 143 CO 0.03 0.05 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 2aur h ALA 144 N 1.93 1.00 -0.00 3.87 0.00 -0.96 -2.58 119.26 122.52 2aur h ALA 144 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2aur h ALA 144 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2aur h ALA 144 CO -0.01 0.00 -0.64 0.00 0.00 0.00 0.00 179.25 178.61 2aur n ALA 145 N -2.07 3.90 1.33 0.00 0.00 0.11 -4.55 120.51 119.23 2aur n ALA 145 Ca 0.01 -0.45 0.13 0.00 0.00 0.00 0.00 53.44 53.13 2aur n ALA 145 Cb 0.30 -0.99 0.38 0.00 0.00 0.00 0.00 19.45 19.14 2aur n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78