#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aim n PRO 2 N 0.00 0.76 -0.24 0.00 -0.01 -1.26 -4.97 135.00 129.28 1aim n PRO 2 Ca 0.00 0.32 -0.08 0.00 -0.01 0.00 0.00 63.50 63.74 1aim n PRO 2 Cb 0.00 -2.46 0.05 0.00 -0.01 0.00 0.00 33.50 31.07 1aim n PRO 2 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1aim h ALA 3 N 0.01 0.93 -2.71 3.55 0.00 -1.99 -3.45 119.26 115.60 1aim h ALA 3 Ca -0.49 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 1aim h ALA 3 Cb 1.33 -0.26 -0.24 0.00 0.00 0.00 0.00 17.79 18.61 1aim h ALA 3 CO 0.50 0.67 -0.24 0.00 0.00 0.00 0.00 179.25 180.18 1aim s ALA 4 N -5.25 -1.04 -0.02 0.00 0.00 -1.26 -0.96 121.76 113.24 1aim s ALA 4 Ca -0.12 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.08 1aim s ALA 4 Cb 0.15 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1aim s ALA 4 CO 0.85 -0.21 -0.02 0.08 0.00 0.00 0.00 175.76 176.46 1aim s VAL 5 N 0.40 0.27 -0.14 0.00 1.01 -0.87 -5.02 120.40 116.05 1aim s VAL 5 Ca -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1aim s VAL 5 Cb -0.04 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 36.12 1aim s VAL 5 CO -0.01 0.11 0.08 -0.62 0.00 0.00 0.00 175.10 174.66 1aim s ASP 6 N 0.38 2.11 0.24 3.32 -1.08 -1.26 -1.84 116.67 118.55 1aim s ASP 6 Ca -0.04 -0.47 0.25 0.00 -0.52 0.00 0.00 52.55 51.78 1aim s ASP 6 Cb -0.07 -0.25 0.90 0.00 -1.46 0.00 0.00 42.92 42.04 1aim s ASP 6 CO -0.01 -0.32 1.75 0.79 0.52 0.00 0.00 175.17 177.90 1aim n TRP 7 N 5.27 0.91 -0.18 -5.34 7.02 -0.79 -2.34 117.44 121.98 1aim n TRP 7 Ca -0.06 0.31 -0.09 0.00 -1.02 0.00 0.00 57.50 56.64 1aim n TRP 7 Cb 0.49 -1.00 0.04 0.00 -2.42 0.00 0.00 31.31 28.42 1aim n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1aim h ARG 8 N 0.00 1.01 0.00 -0.99 3.08 -1.94 -2.14 114.38 113.40 1aim h ARG 8 Ca 0.00 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1aim h ARG 8 Cb 0.56 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1aim h ARG 8 CO 0.00 1.02 0.00 0.00 -1.07 0.00 0.00 179.97 179.92 1aim n ALA 9 N -2.49 2.28 -1.67 0.04 0.00 -0.99 -2.81 120.51 114.87 1aim n ALA 9 Ca 0.02 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1aim n ALA 9 Cb 0.37 -1.01 0.13 0.00 0.00 0.00 0.00 19.45 18.94 1aim n ALA 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1aim n ARG 10 N -0.51 1.01 -1.36 0.00 1.74 -0.82 -4.98 116.66 111.74 1aim n ARG 10 Ca 0.00 -2.58 -0.13 0.00 -0.77 0.00 0.00 57.85 54.38 1aim n ARG 10 Cb 0.00 -1.14 -0.06 0.00 -1.02 0.00 0.00 32.46 30.24 1aim n ARG 10 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aim n GLY 11 N -0.77 1.23 0.26 -0.13 0.00 -1.12 -4.88 105.19 99.78 1aim n GLY 11 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1aim n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aim n ALA 12 N 1.17 3.26 -2.84 4.61 0.00 -1.09 -4.87 120.51 120.75 1aim n ALA 12 Ca -0.13 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.60 1aim n ALA 12 Cb 0.60 -1.06 -0.16 0.00 0.00 0.00 0.00 19.45 18.82 1aim n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1aim s VAL 13 N -2.56 1.53 0.69 0.00 1.01 -1.26 -4.23 120.40 115.58 1aim s VAL 13 Ca 0.22 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1aim s VAL 13 Cb 0.19 -1.31 0.05 0.00 0.00 0.00 0.00 36.38 35.31 1aim s VAL 13 CO 0.56 0.44 1.00 0.42 0.00 0.00 0.00 175.10 177.51 1aim s THR 14 N -0.04 2.50 0.88 3.92 -4.23 -1.26 -5.00 115.64 112.40 1aim s THR 14 Ca -0.03 -0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.14 1aim s THR 14 Cb -0.11 -3.07 0.09 0.00 1.34 0.00 0.00 72.50 70.75 1aim s THR 14 CO 0.02 -0.08 0.98 0.00 -0.54 0.00 0.00 174.62 175.01 1aim n ALA 15 N -2.86 -0.96 -1.92 3.99 0.00 -1.26 -4.97 120.51 112.53 1aim n ALA 15 Ca 0.07 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.63 1aim n ALA 15 Cb 0.60 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 1aim n ALA 15 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1aim s VAL 16 N -2.38 3.37 0.09 0.00 1.01 -1.26 -5.05 120.40 116.17 1aim s VAL 16 Ca 0.67 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.89 1aim s VAL 16 Cb -0.25 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1aim s VAL 16 CO 0.58 0.24 0.05 0.29 0.00 0.00 0.00 175.10 176.25 1aim n LYS 17 N 1.89 1.49 -3.68 2.72 5.02 -1.26 -4.75 118.16 119.60 1aim n LYS 17 Ca 0.02 -0.60 -0.17 0.00 -2.02 0.00 0.00 58.31 55.54 1aim n LYS 17 Cb 0.44 0.10 -0.16 0.00 -0.02 0.00 0.00 35.03 35.38 1aim n LYS 17 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1aim s ASP 18 N -1.53 0.79 0.38 4.39 2.15 -1.26 -2.53 116.67 119.06 1aim s ASP 18 Ca 0.04 0.26 0.26 0.00 0.43 0.00 0.00 52.55 53.53 1aim s ASP 18 Cb -0.00 0.15 0.71 0.00 -0.30 0.00 0.00 42.92 43.48 1aim s ASP 18 CO 0.02 -0.24 1.73 0.06 -0.17 0.00 0.00 175.17 176.58 1aim h GLN 19 N 8.29 0.00 0.00 4.34 3.07 -1.74 -3.49 115.11 125.59 1aim h GLN 19 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.59 1aim h GLN 19 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.68 1aim h GLN 19 CO 0.17 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.50 1aim n GLY 20 N 0.85 1.63 0.08 0.06 0.00 -1.26 -2.83 105.19 103.72 1aim n GLY 20 Ca 0.04 -0.63 0.15 0.00 0.00 0.00 0.00 46.02 45.58 1aim n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1aim n GLN 21 N 9.54 0.94 -3.15 1.61 1.13 0.13 -4.83 117.38 122.74 1aim n GLN 21 Ca 0.00 -0.16 -0.39 0.00 -1.94 0.00 0.00 57.00 54.52 1aim n GLN 21 Cb 0.00 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.79 1aim n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aim n GLY 23 N 1.56 3.96 1.31 0.00 0.00 -0.89 -4.61 105.19 106.51 1aim n GLY 23 Ca -0.08 -1.34 0.08 0.00 0.00 0.00 0.00 46.02 44.68 1aim n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aim n SER 24 N 3.95 4.57 -0.33 1.61 3.41 -1.26 -2.92 113.62 122.65 1aim n SER 24 Ca 0.69 -2.83 0.13 0.00 -0.26 0.00 0.00 58.87 56.60 1aim n SER 24 Cb 0.22 -0.57 0.35 0.00 -0.26 0.00 0.00 64.21 63.95 1aim n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aim h TRP 26 N 0.72 1.04 -0.05 0.00 5.08 -1.85 -0.74 115.95 120.16 1aim h TRP 26 Ca 0.53 0.03 -0.23 0.00 1.08 0.00 0.00 58.89 60.30 1aim h TRP 26 Cb 0.87 -0.33 0.01 0.00 -3.00 0.00 0.00 29.16 26.71 1aim h TRP 26 CO -0.00 0.43 -0.89 0.00 -1.28 0.00 0.00 178.44 176.69 1aim h ALA 27 N 1.55 0.33 -0.46 0.11 0.00 -1.48 -1.95 119.26 117.37 1aim h ALA 27 Ca 0.47 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1aim h ALA 27 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1aim h ALA 27 CO -0.23 0.74 -0.09 0.74 0.00 0.00 0.00 179.25 180.41 1aim h PHE 28 N 0.36 0.97 0.09 0.00 -1.00 -1.18 -1.09 116.94 115.09 1aim h PHE 28 Ca -0.08 -0.20 -0.00 0.00 2.81 0.00 0.00 57.97 60.50 1aim h PHE 28 Cb 1.52 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.84 1aim h PHE 28 CO 0.07 0.95 -0.04 1.03 -1.61 0.00 0.00 178.31 178.71 1aim h SER 29 N 0.71 -0.10 -0.18 2.17 0.87 -1.15 -1.55 113.55 114.31 1aim h SER 29 Ca 0.12 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1aim h SER 29 Cb 0.62 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1aim h SER 29 CO 0.04 -0.03 0.09 0.00 -0.53 0.00 0.00 176.83 176.40 1aim h ALA 30 N 0.74 0.23 -0.48 6.23 0.00 -1.27 -2.85 119.26 121.87 1aim h ALA 30 Ca -0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1aim h ALA 30 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1aim h ALA 30 CO 0.02 -0.21 -0.20 0.82 0.00 0.00 0.00 179.25 179.68 1aim h ILE 31 N 0.17 1.27 -0.99 0.00 1.08 -1.24 -2.32 117.51 115.48 1aim h ILE 31 Ca 0.06 -1.37 0.05 0.00 -0.39 0.00 0.00 64.86 63.22 1aim h ILE 31 Cb 0.11 1.12 -0.06 0.00 -3.07 0.00 0.00 36.82 34.92 1aim h ILE 31 CO -0.01 0.47 0.64 1.23 -0.69 0.00 0.00 178.15 179.79 1aim h GLY 32 N 0.85 1.47 0.93 5.37 0.00 -1.25 -0.11 103.07 110.33 1aim h GLY 32 Ca 0.11 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1aim h GLY 32 CO 0.06 0.37 0.07 -0.57 0.00 0.00 0.00 176.54 176.47 1aim h ASN 33 N 1.20 0.62 -0.50 0.19 -0.73 -1.39 -2.47 115.58 112.50 1aim h ASN 33 Ca 0.41 -0.26 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 1aim h ASN 33 Cb 0.09 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.49 1aim h ASN 33 CO -0.15 0.72 0.26 0.58 -0.37 0.00 0.00 177.43 178.47 1aim h VAL 34 N 0.49 1.18 -0.22 2.57 2.07 -0.67 -1.14 116.25 120.54 1aim h VAL 34 Ca 0.12 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.22 1aim h VAL 34 Cb 0.36 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1aim h VAL 34 CO 0.01 0.19 -0.18 -0.33 0.02 0.00 0.00 177.57 177.29 1aim h GLU 35 N 0.67 -0.17 -0.57 1.57 5.08 -0.96 -0.81 114.58 119.38 1aim h GLU 35 Ca 0.18 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1aim h GLU 35 Cb 0.07 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1aim h GLU 35 CO -0.03 -0.12 0.27 0.00 -1.00 0.00 0.00 179.01 178.14 1aim h GLN 37 N 0.77 0.66 -0.19 0.00 1.08 -0.82 -1.36 115.11 115.25 1aim h GLN 37 Ca 0.19 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1aim h GLN 37 Cb 0.12 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1aim h GLN 37 CO -0.02 0.70 0.08 2.35 -0.95 0.00 0.00 178.83 180.99 1aim h TRP 38 N 0.62 0.28 -0.18 2.96 2.91 -0.95 -1.37 115.95 120.22 1aim h TRP 38 Ca 0.12 -0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.15 1aim h TRP 38 Cb 0.44 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.98 1aim h TRP 38 CO 0.02 0.33 0.01 0.35 -1.03 0.00 0.00 178.44 178.11 1aim h PHE 39 N 0.15 0.00 0.00 2.65 3.57 -1.08 -2.29 116.94 119.95 1aim h PHE 39 Ca 0.06 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1aim h PHE 39 Cb 0.16 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1aim h PHE 39 CO -0.01 -0.02 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.93 1aim h LEU 40 N 0.07 0.00 0.00 0.59 3.38 -1.08 -0.09 115.31 118.17 1aim h LEU 40 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1aim h LEU 40 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1aim h LEU 40 CO -0.14 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.44 1aim n ALA 41 N -2.16 2.37 -0.65 1.53 0.00 -0.53 -4.85 120.51 116.21 1aim n ALA 41 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1aim n ALA 41 Cb 0.20 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1aim n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aim n GLY 42 N 0.45 1.17 3.30 0.00 0.00 -0.06 -5.08 105.19 104.96 1aim n GLY 42 Ca 0.12 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 1aim n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aim s HIS 43 N -2.19 1.53 0.31 1.61 3.76 -1.12 -5.06 115.29 114.14 1aim s HIS 43 Ca 0.00 -0.62 -0.29 0.00 -0.15 0.00 0.00 55.06 54.00 1aim s HIS 43 Cb 0.00 -0.74 -0.12 0.00 1.11 0.00 0.00 32.58 32.83 1aim s HIS 43 CO 0.00 0.24 1.42 -2.30 -0.85 0.00 0.00 174.74 173.25 1aim n PRO 44 N -0.14 2.32 -1.86 8.40 -0.02 -1.26 -4.21 135.00 138.23 1aim n PRO 44 Ca -0.10 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 1aim n PRO 44 Cb 0.60 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1aim n PRO 44 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1aim s LEU 45 N -0.80 4.37 0.01 2.45 2.96 -1.26 -4.66 118.68 121.74 1aim s LEU 45 Ca 0.60 2.46 0.05 0.00 -0.22 0.00 0.00 54.13 57.02 1aim s LEU 45 Cb -0.56 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.58 1aim s LEU 45 CO 0.56 -0.97 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.57 1aim s THR 46 N 3.86 1.31 0.05 3.68 2.01 -1.26 -5.10 115.64 120.19 1aim s THR 46 Ca 0.79 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 1aim s THR 46 Cb -0.38 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 1aim s THR 46 CO 0.35 0.27 1.11 0.20 -0.69 0.00 0.00 174.62 175.85 1aim s ASN 47 N -0.65 7.21 0.33 3.53 0.01 -1.26 -4.82 114.94 119.29 1aim s ASN 47 Ca 0.06 1.89 0.09 0.00 -0.71 0.00 0.00 52.86 54.18 1aim s ASN 47 Cb -0.07 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 38.96 1aim s ASN 47 CO 0.00 -0.37 0.04 -0.76 -1.51 0.00 0.00 177.10 174.51 1aim s LEU 48 N 0.91 3.08 -0.35 0.60 1.43 -1.26 -1.15 118.68 121.93 1aim s LEU 48 Ca 0.55 -0.88 -0.22 0.00 -1.03 0.00 0.00 54.13 52.55 1aim s LEU 48 Cb -0.26 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1aim s LEU 48 CO 0.29 -0.21 0.71 -0.55 0.23 0.00 0.00 176.35 176.82 1aim s SER 49 N -3.74 6.50 0.23 2.29 0.15 -0.05 -4.03 113.70 115.04 1aim s SER 49 Ca 0.35 0.28 0.06 0.00 0.70 0.00 0.00 55.95 57.34 1aim s SER 49 Cb -0.02 -2.36 0.21 0.00 -1.71 0.00 0.00 66.02 62.14 1aim s SER 49 CO 0.20 -0.65 1.53 -0.33 1.20 0.00 0.00 173.24 175.19 1aim h GLU 50 N 8.43 0.16 -0.93 5.44 3.07 -1.88 -3.26 114.58 125.62 1aim h GLU 50 Ca -0.26 -0.13 0.07 0.00 -0.50 0.00 0.00 59.36 58.55 1aim h GLU 50 Cb 1.10 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.97 1aim h GLU 50 CO 0.87 0.77 0.58 0.37 -1.40 0.00 0.00 179.01 180.21 1aim h GLN 51 N 0.11 1.01 -0.65 2.33 5.75 -1.86 -1.44 115.11 120.37 1aim h GLN 51 Ca -0.01 -0.06 0.13 0.00 -0.15 0.00 0.00 58.65 58.56 1aim h GLN 51 Cb 1.20 -0.23 -0.12 0.00 1.07 0.00 0.00 27.48 29.40 1aim h GLN 51 CO 0.10 0.67 -0.16 1.98 -2.65 0.00 0.00 178.83 178.77 1aim h MET 52 N 1.04 -0.00 0.16 1.69 4.05 -1.83 0.21 114.93 120.25 1aim h MET 52 Ca 0.41 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.83 1aim h MET 52 Cb 0.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1aim h MET 52 CO -0.19 -0.00 -0.08 -0.07 0.23 0.00 0.00 176.91 176.80 1aim h LEU 53 N -0.00 -0.18 -0.65 3.39 3.38 -1.51 -0.76 115.31 118.98 1aim h LEU 53 Ca 0.31 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1aim h LEU 53 Cb 0.47 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 1aim h LEU 53 CO -0.67 0.24 0.28 0.58 0.09 0.00 0.00 178.44 178.96 1aim h VAL 54 N -0.64 0.80 0.08 1.22 2.07 -0.79 0.52 116.25 119.51 1aim h VAL 54 Ca -0.02 -0.17 -0.29 0.00 0.82 0.00 0.00 66.70 67.04 1aim h VAL 54 Cb 0.48 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1aim h VAL 54 CO 0.04 0.09 -1.50 0.28 0.02 0.00 0.00 177.57 176.49 1aim h SER 55 N 0.49 0.25 0.00 0.57 0.02 -1.06 -3.38 113.55 110.44 1aim h SER 55 Ca 0.32 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1aim h SER 55 Cb 0.37 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1aim h SER 55 CO -0.29 1.31 -1.76 0.00 -1.14 0.00 0.00 176.83 174.95 1aim s ASP 57 N -3.95 6.60 0.00 0.00 2.15 0.15 -4.80 116.67 116.82 1aim s ASP 57 Ca -0.06 -1.78 0.09 0.00 0.43 0.00 0.00 52.55 51.23 1aim s ASP 57 Cb 0.11 -2.53 0.54 0.00 -0.30 0.00 0.00 42.92 40.74 1aim s ASP 57 CO 0.71 -1.34 1.15 0.29 -0.17 0.00 0.00 175.17 175.81 1aim n LYS 58 N 8.25 0.76 0.00 4.34 4.76 -1.26 -1.82 118.16 133.19 1aim n LYS 58 Ca 0.34 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.90 1aim n LYS 58 Cb 0.50 -1.19 0.22 0.00 -1.84 0.00 0.00 35.03 32.72 1aim n LYS 58 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1aim n THR 59 N -0.69 0.00 -4.66 -0.18 -2.24 -1.26 -4.91 114.28 100.34 1aim n THR 59 Ca 0.07 -0.29 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 1aim n THR 59 Cb 0.03 0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 1aim n THR 59 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1aim s ASP 60 N -2.27 3.62 -0.38 3.42 1.01 -0.75 -4.95 116.67 116.36 1aim s ASP 60 Ca 0.26 -1.65 0.05 0.00 0.71 0.00 0.00 52.55 51.92 1aim s ASP 60 Cb 0.19 0.47 0.46 0.00 1.01 0.00 0.00 42.92 45.05 1aim s ASP 60 CO 0.44 -0.86 1.38 -1.20 0.21 0.00 0.00 175.17 175.15 1aim n SER 61 N -1.26 5.57 0.00 0.27 7.64 -0.44 -4.94 113.62 120.46 1aim n SER 61 Ca -0.14 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 55.98 1aim n SER 61 Cb 0.66 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1aim n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aim n GLY 62 N -0.75 3.50 0.00 0.23 0.00 -1.25 -0.54 105.19 106.38 1aim n GLY 62 Ca 0.48 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.64 1aim n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aim n SER 64 N -0.81 0.87 0.00 0.00 7.64 0.30 -2.09 113.62 119.53 1aim n SER 64 Ca 0.10 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.15 1aim n SER 64 Cb 0.04 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 1aim n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aim n GLY 65 N 1.48 2.14 0.00 0.23 0.00 -1.01 -4.96 105.19 103.07 1aim n GLY 65 Ca 0.04 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1aim n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aim n GLY 66 N -1.50 -1.46 3.04 -0.02 0.00 -1.26 -1.32 105.19 102.66 1aim n GLY 66 Ca 0.00 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 1aim n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aim s LEU 67 N 0.00 1.94 0.22 0.99 1.43 -1.26 -4.76 118.68 117.24 1aim s LEU 67 Ca 0.00 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 52.81 1aim s LEU 67 Cb 0.00 -0.56 0.17 0.00 0.03 0.00 0.00 46.19 45.83 1aim s LEU 67 CO 0.00 0.11 1.86 0.24 0.23 0.00 0.00 176.35 178.79 1aim h MET 68 N 6.06 1.09 -0.42 1.70 2.86 -1.99 -1.60 114.93 122.64 1aim h MET 68 Ca -0.32 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.20 1aim h MET 68 Cb 1.17 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 1aim h MET 68 CO 0.49 0.77 0.16 -0.91 1.06 0.00 0.00 176.91 178.48 1aim h ASN 69 N 1.10 0.53 -0.03 1.22 2.35 -1.96 -1.06 115.58 117.74 1aim h ASN 69 Ca 0.29 -0.06 -0.18 0.00 -0.55 0.00 0.00 56.30 55.81 1aim h ASN 69 Cb -0.05 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1aim h ASN 69 CO -0.05 0.49 -0.60 0.78 -1.65 0.00 0.00 177.43 176.40 1aim h ASN 70 N 0.59 0.71 -0.24 5.81 4.21 -1.72 -2.63 115.58 122.31 1aim h ASN 70 Ca 0.14 -0.40 -0.00 0.00 1.21 0.00 0.00 56.30 57.25 1aim h ASN 70 Cb 0.13 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.11 1aim h ASN 70 CO -0.01 1.15 0.14 0.00 -1.29 0.00 0.00 177.43 177.41 1aim h ALA 71 N 0.86 0.31 -0.35 -0.83 0.00 -0.88 0.33 119.26 118.69 1aim h ALA 71 Ca -0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1aim h ALA 71 Cb 1.17 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1aim h ALA 71 CO 0.12 -0.16 0.07 0.74 0.00 0.00 0.00 179.25 180.02 1aim h PHE 72 N 0.29 0.12 -0.08 0.00 0.04 -1.15 -1.61 116.94 114.54 1aim h PHE 72 Ca 0.09 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.75 1aim h PHE 72 Cb 0.06 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1aim h PHE 72 CO -0.04 0.02 -0.54 0.93 -0.60 0.00 0.00 178.31 178.09 1aim h GLU 73 N 0.19 0.23 -1.00 1.51 4.39 -1.36 -2.60 114.58 115.95 1aim h GLU 73 Ca 0.17 -0.14 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1aim h GLU 73 Cb 0.19 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1aim h GLU 73 CO -0.22 0.71 0.66 2.35 -1.16 0.00 0.00 179.01 181.35 1aim h TRP 74 N 0.18 1.27 0.28 4.33 7.01 -0.51 0.13 115.95 128.63 1aim h TRP 74 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 1aim h TRP 74 Cb 1.01 -0.43 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 1aim h TRP 74 CO 0.02 0.80 -0.18 0.82 -2.79 0.00 0.00 178.44 177.11 1aim h ILE 75 N 1.36 0.62 0.03 2.65 2.04 -0.98 0.14 117.51 123.37 1aim h ILE 75 Ca 0.37 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.22 1aim h ILE 75 Cb -0.14 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1aim h ILE 75 CO -0.08 0.00 -0.01 0.58 0.00 0.00 0.00 178.15 178.64 1aim h VAL 76 N -0.45 1.25 0.11 1.67 2.07 -1.26 -0.56 116.25 119.08 1aim h VAL 76 Ca -0.03 -0.89 -0.27 0.00 0.82 0.00 0.00 66.70 66.33 1aim h VAL 76 Cb 0.38 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1aim h VAL 76 CO 0.02 0.23 -1.25 1.56 0.02 0.00 0.00 177.57 178.15 1aim h GLN 77 N -0.43 0.23 -0.74 1.57 1.08 -0.77 -3.25 115.11 112.81 1aim h GLN 77 Ca -0.00 -0.40 -0.48 0.00 -1.45 0.00 0.00 58.65 56.32 1aim h GLN 77 Cb 0.40 0.15 -0.28 0.00 -0.05 0.00 0.00 27.48 27.70 1aim h GLN 77 CO 0.01 1.17 0.09 0.39 -0.95 0.00 0.00 178.83 179.54 1aim n GLU 78 N -3.50 2.65 -2.64 1.46 -0.58 0.49 -5.01 120.64 113.51 1aim n GLU 78 Ca -0.08 -3.48 -0.01 0.00 -0.42 0.00 0.00 57.16 53.17 1aim n GLU 78 Cb 1.02 -2.14 0.05 0.00 -0.57 0.00 0.00 31.44 29.79 1aim n GLU 78 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1aim n ASN 78 N -0.95 1.66 0.00 1.62 3.02 -1.15 -5.00 115.26 114.46 1aim n ASN 78 Ca 0.49 -2.11 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 1aim n ASN 78 Cb 0.97 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1aim n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aim n GLY 78 N -0.48 2.17 3.75 7.41 0.00 -0.23 -4.98 105.19 112.82 1aim n GLY 78 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1aim n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aim s ALA 79 N -2.78 3.36 -0.12 4.61 0.00 -1.26 -2.55 121.76 123.03 1aim s ALA 79 Ca 0.00 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.74 1aim s ALA 79 Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1aim s ALA 79 CO 0.00 -0.09 -0.14 0.08 0.00 0.00 0.00 175.76 175.61 1aim s VAL 80 N -0.68 1.44 0.54 0.00 1.01 -0.30 -4.94 120.40 117.47 1aim s VAL 80 Ca 0.46 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1aim s VAL 80 Cb -0.29 -1.34 -0.07 0.00 0.00 0.00 0.00 36.38 34.69 1aim s VAL 80 CO 0.35 0.43 1.01 -0.31 0.00 0.00 0.00 175.10 176.59 1aim s TYR 81 N 1.16 3.30 0.58 5.22 2.02 -1.26 -0.62 117.35 127.74 1aim s TYR 81 Ca -0.03 1.48 -0.18 0.00 -0.37 0.00 0.00 57.07 57.97 1aim s TYR 81 Cb -0.14 -2.86 -0.04 0.00 -0.40 0.00 0.00 41.96 38.51 1aim s TYR 81 CO -0.04 -0.60 1.12 0.95 -1.57 0.00 0.00 175.55 175.41 1aim s THR 82 N -2.55 3.21 0.30 -0.71 -4.23 -0.54 -0.88 115.64 110.23 1aim s THR 82 Ca 0.61 0.69 0.01 0.00 -1.18 0.00 0.00 61.69 61.81 1aim s THR 82 Cb -0.12 -3.24 0.14 0.00 1.34 0.00 0.00 72.50 70.63 1aim s THR 82 CO 0.32 -0.23 1.82 -0.08 -0.54 0.00 0.00 174.62 175.92 1aim h GLU 83 N 0.84 0.70 -0.48 3.99 4.81 -1.27 -2.46 114.58 120.70 1aim h GLU 83 Ca -0.49 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 58.62 1aim h GLU 83 Cb 1.26 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1aim h GLU 83 CO 0.56 0.69 0.32 -0.44 -0.73 0.00 0.00 179.01 179.41 1aim h ASP 84 N 0.66 0.43 0.71 1.04 5.19 -1.92 -1.56 116.42 120.97 1aim h ASP 84 Ca 0.14 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1aim h ASP 84 Cb 0.36 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1aim h ASP 84 CO 0.01 0.30 -0.68 -1.54 -3.12 0.00 0.00 179.24 174.20 1aim n SER 85 N -4.48 0.64 -3.24 6.45 3.41 -0.96 -4.44 113.62 111.01 1aim n SER 85 Ca 0.06 -0.01 -0.22 0.00 -0.26 0.00 0.00 58.87 58.43 1aim n SER 85 Cb 0.17 0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 1aim n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aim n TYR 86 N -1.96 -1.58 -1.25 7.33 4.19 -0.83 -4.56 117.16 118.50 1aim n TYR 86 Ca 0.03 -2.87 -0.32 0.00 3.31 0.00 0.00 57.90 58.05 1aim n TYR 86 Cb 0.42 0.52 0.10 0.00 0.49 0.00 0.00 39.34 40.87 1aim n TYR 86 CO 0.00 0.00 0.00 -2.14 0.91 0.00 0.00 176.86 175.63 1aim s PRO 87 N 0.19 2.09 0.18 2.98 0.02 -0.65 -4.55 135.00 135.26 1aim s PRO 87 Ca 0.32 1.34 -0.31 0.00 0.02 0.00 0.00 61.00 62.38 1aim s PRO 87 Cb 0.04 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.60 1aim s PRO 87 CO -0.16 -1.79 1.40 -0.47 -0.33 0.00 0.00 177.00 175.64 1aim s TYR 88 N -2.67 3.17 0.00 6.54 5.04 -1.26 -4.76 117.35 123.42 1aim s TYR 88 Ca 0.64 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 1aim s TYR 88 Cb -0.20 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.39 1aim s TYR 88 CO 0.53 -2.42 0.58 0.00 -1.34 0.00 0.00 175.55 172.90 1aim n ALA 89 N 3.17 1.25 -1.10 3.97 0.00 -1.26 -4.85 120.51 121.68 1aim n ALA 89 Ca 0.09 -0.58 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 1aim n ALA 89 Cb 0.41 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.14 1aim n ALA 89 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1aim n SER 89 N -0.14 4.21 0.20 0.00 7.64 -1.26 -4.66 113.62 119.61 1aim n SER 89 Ca 0.00 -3.25 0.06 0.00 1.01 0.00 0.00 58.87 56.69 1aim n SER 89 Cb 0.38 -0.67 0.55 0.00 -1.01 0.00 0.00 64.21 63.46 1aim n SER 89 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1aim h GLY 89 N 2.19 0.11 0.55 0.23 0.00 -1.82 -0.57 103.07 103.76 1aim h GLY 89 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1aim h GLY 89 CO 0.52 0.05 0.00 1.18 0.00 0.00 0.00 176.54 178.29 1aim n GLU 89 N -4.46 1.02 -0.63 4.80 -0.58 -1.26 -0.69 120.64 118.83 1aim n GLU 89 Ca -0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1aim n GLU 89 Cb 0.14 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1aim n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aim n GLY 90 N 0.80 0.64 3.22 0.62 0.00 -0.22 -4.85 105.19 105.41 1aim n GLY 90 Ca 0.14 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 1aim n GLY 90 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1aim s ILE 91 N -2.00 1.55 -0.29 -0.61 2.07 -1.25 -4.80 121.20 115.87 1aim s ILE 91 Ca 0.00 -1.08 -0.07 0.00 -1.41 0.00 0.00 60.65 58.09 1aim s ILE 91 Cb 0.00 -1.34 0.00 0.00 0.13 0.00 0.00 42.46 41.25 1aim s ILE 91 CO 0.00 0.22 0.08 -0.55 -1.91 0.00 0.00 174.94 172.78 1aim s SER 92 N -1.01 5.11 0.69 4.50 0.15 -1.26 -4.23 113.70 117.65 1aim s SER 92 Ca 0.07 -0.60 -0.14 0.00 0.70 0.00 0.00 55.95 55.97 1aim s SER 92 Cb -0.08 -1.89 0.02 0.00 -1.71 0.00 0.00 66.02 62.36 1aim s SER 92 CO 0.01 -0.16 1.12 -2.84 1.20 0.00 0.00 173.24 172.57 1aim s PRO 93 N 1.52 2.59 0.35 5.44 0.02 -1.26 -4.99 135.00 138.67 1aim s PRO 93 Ca 0.03 1.40 -0.27 0.00 0.02 0.00 0.00 61.00 62.19 1aim s PRO 93 Cb -0.17 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 32.31 1aim s PRO 93 CO 0.03 -1.42 1.07 -0.35 -0.33 0.00 0.00 177.00 176.00 1aim n PRO 94 N -2.68 1.54 -1.76 5.54 -0.04 -1.26 -4.66 135.00 131.69 1aim n PRO 94 Ca 0.11 0.54 -0.41 0.00 -0.04 0.00 0.00 63.50 63.69 1aim n PRO 94 Cb 0.52 -2.03 -0.01 0.00 -0.04 0.00 0.00 33.50 31.94 1aim n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aim s THR 96 N -0.60 3.70 -1.41 0.00 -4.23 -1.26 -5.01 115.64 106.83 1aim s THR 96 Ca 0.58 -0.40 0.25 0.00 -1.18 0.00 0.00 61.69 60.95 1aim s THR 96 Cb -0.49 -2.67 0.11 0.00 1.34 0.00 0.00 72.50 70.79 1aim s THR 96 CO 0.57 0.44 1.43 0.35 -0.54 0.00 0.00 174.62 176.86 1aim n THR 97 N 4.34 0.00 -4.43 3.99 -2.24 -1.26 -4.93 114.28 109.75 1aim n THR 97 Ca -0.18 -0.07 -0.23 0.00 -2.27 0.00 0.00 64.05 61.30 1aim n THR 97 Cb 0.52 0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 69.09 1aim n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1aim s SER 98 N -2.74 2.39 -0.10 3.42 1.04 -1.26 -4.90 113.70 111.54 1aim s SER 98 Ca 0.17 -1.72 0.00 0.00 0.48 0.00 0.00 55.95 54.88 1aim s SER 98 Cb 0.18 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1aim s SER 98 CO 0.62 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1aim n GLY 99 N -0.81 0.42 3.53 7.32 0.00 -1.26 -5.05 105.19 109.34 1aim n GLY 99 Ca -0.01 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 1aim n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aim s HIS 100 N -2.04 1.83 0.01 1.61 4.02 -1.26 -4.88 115.29 114.58 1aim s HIS 100 Ca 0.00 -1.18 0.05 0.00 1.02 0.00 0.00 55.06 54.95 1aim s HIS 100 Cb 0.00 -1.24 -0.02 0.00 -1.02 0.00 0.00 32.58 30.30 1aim s HIS 100 CO 0.00 -0.17 -0.16 0.99 1.02 0.00 0.00 174.74 176.42 1aim s THR 101 N -3.19 1.24 -0.11 1.30 2.01 -1.26 -5.05 115.64 110.58 1aim s THR 101 Ca 0.24 -0.83 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 1aim s THR 101 Cb 0.04 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 1aim s THR 101 CO 0.13 0.23 0.98 -0.69 -0.69 0.00 0.00 174.62 174.58 1aim s VAL 102 N -0.56 4.80 -0.26 3.82 1.01 -1.26 -1.47 120.40 126.48 1aim s VAL 102 Ca 0.05 1.99 0.09 0.00 0.00 0.00 0.00 61.98 64.10 1aim s VAL 102 Cb -0.07 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 31.92 1aim s VAL 102 CO 0.00 0.02 0.30 0.61 0.00 0.00 0.00 175.10 176.03 1aim n GLY 103 N 3.13 -0.02 3.50 4.51 0.00 0.20 -4.79 105.19 111.73 1aim n GLY 103 Ca 0.08 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1aim n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aim s ALA 105 N -2.09 -1.60 0.03 4.61 0.00 -1.07 -4.97 121.76 116.66 1aim s ALA 105 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1aim s ALA 105 Cb 0.06 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 1aim s ALA 105 CO 0.35 -0.80 -0.04 0.95 0.00 0.00 0.00 175.76 176.23 1aim s THR 106 N -3.64 0.21 0.14 0.00 -4.23 -1.26 -1.15 115.64 105.70 1aim s THR 106 Ca 0.03 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.64 1aim s THR 106 Cb -0.02 -0.34 -0.04 0.00 1.34 0.00 0.00 72.50 73.44 1aim s THR 106 CO -0.09 -0.48 -0.12 0.27 -0.54 0.00 0.00 174.62 173.66 1aim s ILE 107 N -1.45 1.23 -0.04 2.99 -4.36 -1.06 -3.58 121.20 114.92 1aim s ILE 107 Ca -0.15 -1.90 0.18 0.00 -0.26 0.00 0.00 60.65 58.52 1aim s ILE 107 Cb -0.10 -1.69 -0.27 0.00 1.25 0.00 0.00 42.46 41.65 1aim s ILE 107 CO -0.01 -0.61 0.35 0.35 0.24 0.00 0.00 174.94 175.26 1aim n THR 108 N 0.12 0.16 -0.76 8.37 -2.24 0.40 -4.68 114.28 115.65 1aim n THR 108 Ca -0.12 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1aim n THR 108 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1aim n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aim n GLY 109 N 1.55 -0.73 3.43 3.38 0.00 -1.21 -4.98 105.19 106.63 1aim n GLY 109 Ca -0.07 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 1aim n GLY 109 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aim s HIS 110 N -3.76 -0.51 0.14 1.61 -0.00 -1.26 -1.10 115.29 110.42 1aim s HIS 110 Ca 0.00 0.62 0.10 0.00 -0.00 0.00 0.00 55.06 55.78 1aim s HIS 110 Cb 0.00 0.40 -0.04 0.00 -0.00 0.00 0.00 32.58 32.94 1aim s HIS 110 CO 0.00 -0.67 -0.21 0.14 -0.00 0.00 0.00 174.74 174.00 1aim s VAL 111 N -2.35 2.61 -0.15 -5.38 -7.23 0.26 -4.92 120.40 103.23 1aim s VAL 111 Ca -0.06 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1aim s VAL 111 Cb -0.01 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 1aim s VAL 111 CO -0.01 0.04 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.12 1aim s GLU 112 N -2.28 3.44 0.41 4.82 2.02 -1.26 -1.48 118.70 124.37 1aim s GLU 112 Ca 0.18 -0.64 -0.04 0.00 0.02 0.00 0.00 54.97 54.48 1aim s GLU 112 Cb -0.10 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 1aim s GLU 112 CO 0.09 0.13 0.69 -0.51 0.02 0.00 0.00 175.26 175.69 1aim s LEU 113 N 0.59 3.81 0.64 1.80 1.43 -0.08 -5.00 118.68 121.87 1aim s LEU 113 Ca -0.06 0.81 -0.18 0.00 -1.03 0.00 0.00 54.13 53.67 1aim s LEU 113 Cb -0.15 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 1aim s LEU 113 CO 0.03 -0.43 1.07 -2.65 0.23 0.00 0.00 176.35 174.60 1aim n PRO 114 N -1.83 0.90 -1.61 1.29 -0.02 -1.26 -4.65 135.00 127.81 1aim n PRO 114 Ca -0.01 0.36 -0.40 0.00 -2.02 0.00 0.00 63.50 61.43 1aim n PRO 114 Cb 0.55 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1aim n PRO 114 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1aim n GLN 115 N -1.45 3.91 -3.59 -0.52 6.02 -1.26 -4.65 117.38 115.83 1aim n GLN 115 Ca 0.15 -2.69 -0.09 0.00 -0.01 0.00 0.00 57.00 54.35 1aim n GLN 115 Cb 0.48 -2.80 -0.09 0.00 1.02 0.00 0.00 30.24 28.85 1aim n GLN 115 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1aim s ASP 116 N 1.63 -0.15 0.30 1.08 -1.08 -1.26 -4.92 116.67 112.27 1aim s ASP 116 Ca 0.62 0.83 0.01 0.00 -0.52 0.00 0.00 52.55 53.48 1aim s ASP 116 Cb 0.17 1.29 0.53 0.00 -1.46 0.00 0.00 42.92 43.45 1aim s ASP 116 CO -0.07 -0.25 1.89 -0.33 0.52 0.00 0.00 175.17 176.93 1aim h GLU 117 N 8.18 1.00 -0.34 4.34 5.08 -1.91 0.41 114.58 131.34 1aim h GLU 117 Ca -0.16 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 1aim h GLU 117 Cb 1.12 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1aim h GLU 117 CO 0.15 0.66 -0.26 0.00 -1.00 0.00 0.00 179.01 178.56 1aim h ALA 118 N 1.51 0.91 -0.10 3.43 0.00 -1.97 -0.71 119.26 122.34 1aim h ALA 118 Ca 0.42 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1aim h ALA 118 Cb 0.28 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1aim h ALA 118 CO -0.18 0.62 -0.64 1.96 0.00 0.00 0.00 179.25 181.01 1aim h GLN 119 N 0.59 0.61 -0.57 0.00 4.20 -1.81 -2.04 115.11 116.09 1aim h GLN 119 Ca 0.08 -0.52 0.05 0.00 0.06 0.00 0.00 58.65 58.32 1aim h GLN 119 Cb 0.76 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.60 1aim h GLN 119 CO 0.06 1.14 0.29 0.82 -0.67 0.00 0.00 178.83 180.48 1aim h ILE 120 N 0.25 0.95 -0.90 2.54 2.04 -0.76 -2.31 117.51 119.31 1aim h ILE 120 Ca -0.05 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1aim h ILE 120 Cb 1.29 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1aim h ILE 120 CO 0.13 0.10 0.49 0.00 0.00 0.00 0.00 178.15 178.88 1aim h ALA 121 N 1.31 1.16 -0.50 1.87 0.00 -1.01 -1.62 119.26 120.46 1aim h ALA 121 Ca 0.26 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1aim h ALA 121 Cb 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1aim h ALA 121 CO -0.18 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.75 1aim h ALA 122 N 1.27 1.06 0.02 0.00 0.00 -0.84 -1.49 119.26 119.27 1aim h ALA 122 Ca 0.32 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1aim h ALA 122 Cb 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1aim h ALA 122 CO -0.05 0.59 -0.01 2.35 0.00 0.00 0.00 179.25 182.13 1aim h TRP 123 N 0.78 -0.02 -0.72 0.00 7.01 -1.19 -3.25 115.95 118.56 1aim h TRP 123 Ca 0.15 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.30 1aim h TRP 123 Cb 0.46 0.01 -0.13 0.00 -2.10 0.00 0.00 29.16 27.40 1aim h TRP 123 CO 0.03 0.59 -0.09 1.25 -2.79 0.00 0.00 178.44 177.42 1aim h LEU 124 N -0.66 -0.51 -1.89 0.65 7.12 -1.19 0.20 115.31 119.02 1aim h LEU 124 Ca -0.00 0.20 0.10 0.00 0.13 0.00 0.00 57.88 58.31 1aim h LEU 124 Cb 0.62 0.39 -0.02 0.00 -0.53 0.00 0.00 40.66 41.12 1aim h LEU 124 CO 0.00 -0.21 0.30 0.00 -0.13 0.00 0.00 178.44 178.41 1aim h ALA 125 N 1.70 2.24 0.00 1.25 0.00 -1.31 0.90 119.26 124.04 1aim h ALA 125 Ca 0.37 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.88 1aim h ALA 125 Cb 0.60 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1aim h ALA 125 CO -0.69 -0.36 -2.38 0.28 0.00 0.00 0.00 179.25 176.11 1aim n VAL 126 N -4.44 1.37 0.49 0.00 0.31 -0.79 -4.74 118.33 110.53 1aim n VAL 126 Ca 0.07 -0.45 0.10 0.00 -0.01 0.00 0.00 64.34 64.05 1aim n VAL 126 Cb 0.42 -1.55 -0.14 0.00 -0.91 0.00 0.00 33.84 31.66 1aim n VAL 126 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1aim n ASN 127 N -3.58 0.58 0.00 4.52 4.13 0.63 -5.10 115.26 116.43 1aim n ASN 127 Ca -0.45 -0.50 0.00 0.00 1.68 0.00 0.00 54.58 55.31 1aim n ASN 127 Cb 0.91 1.47 0.00 0.00 -1.54 0.00 0.00 39.78 40.62 1aim n ASN 127 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1aim n GLY 128 N 1.39 -1.22 3.72 7.41 0.00 0.31 -4.94 105.19 111.87 1aim n GLY 128 Ca 0.00 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 1aim n GLY 128 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aim n PRO 129 N -0.10 2.06 -5.20 1.61 -0.02 -1.26 -4.14 135.00 127.95 1aim n PRO 129 Ca 0.00 0.73 -0.30 0.00 -2.02 0.00 0.00 63.50 61.92 1aim n PRO 129 Cb 0.00 -2.48 -0.16 0.00 -0.02 0.00 0.00 33.50 30.84 1aim n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1aim s VAL 130 N -1.19 1.89 0.19 -1.45 1.01 -0.95 -4.89 120.40 115.00 1aim s VAL 130 Ca 0.61 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1aim s VAL 130 Cb -0.49 -1.57 -0.08 0.00 0.00 0.00 0.00 36.38 34.25 1aim s VAL 130 CO 0.58 0.53 1.05 0.00 0.00 0.00 0.00 175.10 177.26 1aim s ALA 131 N -0.56 3.35 0.03 5.51 0.00 0.23 -1.04 121.76 129.28 1aim s ALA 131 Ca 0.09 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 1aim s ALA 131 Cb -0.09 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1aim s ALA 131 CO -0.01 -0.10 -0.01 0.54 0.00 0.00 0.00 175.76 176.19 1aim s VAL 132 N -0.47 0.15 0.04 0.00 0.11 -0.58 -1.25 120.40 118.41 1aim s VAL 132 Ca 0.47 -1.28 0.04 0.00 -2.93 0.00 0.00 61.98 58.28 1aim s VAL 132 Cb -0.28 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1aim s VAL 132 CO 0.34 -0.70 -0.06 0.00 -3.33 0.00 0.00 175.10 171.35 1aim s ALA 133 N -2.58 3.06 0.17 1.54 0.00 -1.14 -1.11 121.76 121.70 1aim s ALA 133 Ca -0.05 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 1aim s ALA 133 Cb -0.02 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1aim s ALA 133 CO -0.05 0.64 0.18 0.14 0.00 0.00 0.00 175.76 176.67 1aim s VAL 134 N -1.10 0.05 -0.36 0.00 -7.23 0.22 -4.43 120.40 107.55 1aim s VAL 134 Ca 0.20 -1.76 -0.20 0.00 -1.81 0.00 0.00 61.98 58.41 1aim s VAL 134 Cb -0.11 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1aim s VAL 134 CO 0.11 -0.23 0.59 -0.62 -0.31 0.00 0.00 175.10 174.64 1aim s ASP 135 N -3.06 6.38 -0.15 4.85 -1.08 -0.18 -0.74 116.67 122.68 1aim s ASP 135 Ca 0.27 0.06 0.16 0.00 -0.52 0.00 0.00 52.55 52.52 1aim s ASP 135 Cb 0.05 -2.30 0.56 0.00 -1.46 0.00 0.00 42.92 39.77 1aim s ASP 135 CO 0.05 -0.56 1.47 0.00 0.52 0.00 0.00 175.17 176.65 1aim n ALA 136 N 5.93 3.01 -0.23 3.66 0.00 -1.26 -4.70 120.51 126.93 1aim n ALA 136 Ca -0.03 -2.00 0.03 0.00 0.00 0.00 0.00 53.44 51.44 1aim n ALA 136 Cb 0.49 -0.76 0.15 0.00 0.00 0.00 0.00 19.45 19.32 1aim n ALA 136 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1aim h SER 139 N 2.39 0.10 0.69 0.00 0.02 -1.91 -2.26 113.55 112.58 1aim h SER 139 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1aim h SER 139 Cb 1.42 0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1aim h SER 139 CO 0.23 0.04 -0.16 -1.54 -1.14 0.00 0.00 176.83 174.25 1aim n SER 140 N -5.09 0.25 0.18 3.07 3.41 -1.26 -4.23 113.62 109.94 1aim n SER 140 Ca 0.11 0.01 0.13 0.00 -0.26 0.00 0.00 58.87 58.86 1aim n SER 140 Cb 0.37 -0.18 0.61 0.00 -0.26 0.00 0.00 64.21 64.75 1aim n SER 140 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1aim h TRP 141 N 0.13 0.00 0.00 7.33 4.06 -1.74 -1.19 115.95 124.55 1aim h TRP 141 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1aim h TRP 141 Cb 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.61 1aim h TRP 141 CO 0.00 0.00 0.00 -1.33 -3.56 0.00 0.00 178.44 173.55 1aim n MET 142 N -2.40 0.13 -0.15 0.49 2.81 -1.26 -2.05 117.12 114.68 1aim n MET 142 Ca 0.00 0.34 0.12 0.00 -1.81 0.00 0.00 57.70 56.35 1aim n MET 142 Cb 0.15 -1.74 0.20 0.00 -0.71 0.00 0.00 33.22 31.12 1aim n MET 142 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1aim n THR 143 N -1.99 0.40 -2.51 2.03 -2.24 -0.45 -4.95 114.28 104.58 1aim n THR 143 Ca 0.03 -0.69 -0.43 0.00 -2.27 0.00 0.00 64.05 60.69 1aim n THR 143 Cb 0.23 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 1aim n THR 143 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1aim s TYR 144 N -1.60 3.12 -0.10 4.78 5.04 -0.87 -4.87 117.35 122.85 1aim s TYR 144 Ca 0.37 1.23 0.09 0.00 -2.44 0.00 0.00 57.07 56.32 1aim s TYR 144 Cb 0.22 -3.40 -0.13 0.00 0.35 0.00 0.00 41.96 39.01 1aim s TYR 144 CO 0.31 -1.18 0.03 0.25 -1.34 0.00 0.00 175.55 173.62 1aim n THR 145 N 5.03 0.72 0.00 4.34 -2.24 -1.26 -4.07 114.28 116.80 1aim n THR 145 Ca 0.12 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1aim n THR 145 Cb 0.46 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1aim n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aim n GLY 146 N 2.37 0.44 2.39 3.38 0.00 -1.26 -4.53 105.19 107.98 1aim n GLY 146 Ca -0.17 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1aim n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aim n GLY 147 N -0.89 -2.41 3.60 -0.02 0.00 -1.26 -4.77 105.19 99.43 1aim n GLY 147 Ca 0.00 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 1aim n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aim s VAL 148 N -0.38 5.16 -0.42 1.61 1.01 -1.26 -4.27 120.40 121.85 1aim s VAL 148 Ca 0.00 0.53 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 1aim s VAL 148 Cb 0.00 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1aim s VAL 148 CO 0.00 0.11 1.36 -0.32 0.00 0.00 0.00 175.10 176.24 1aim s MET 149 N 2.10 3.61 0.00 2.72 0.00 -0.36 -4.87 119.30 122.50 1aim s MET 149 Ca 0.15 0.88 0.27 0.00 0.00 0.00 0.00 55.69 56.99 1aim s MET 149 Cb -0.16 -4.00 0.85 0.00 0.00 0.00 0.00 34.83 31.52 1aim s MET 149 CO 0.10 -1.52 1.63 0.25 0.00 0.00 0.00 175.02 175.48 1aim n THR 151 N 7.00 0.00 -3.79 10.11 -2.24 -1.26 -1.37 114.28 122.74 1aim n THR 151 Ca 0.16 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 1aim n THR 151 Cb 0.48 0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 68.87 1aim n THR 151 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1aim s SER 152 N -2.52 -0.26 -0.14 3.42 0.01 -1.26 -4.89 113.70 108.07 1aim s SER 152 Ca 0.25 0.50 -0.17 0.00 1.31 0.00 0.00 55.95 57.84 1aim s SER 152 Cb 0.19 0.50 0.04 0.00 0.21 0.00 0.00 66.02 66.96 1aim s SER 152 CO 0.52 -0.09 0.45 0.00 0.41 0.00 0.00 173.24 174.53 1aim s VAL 154 N -0.09 3.32 -0.42 0.00 1.01 -1.26 -4.46 120.40 118.50 1aim s VAL 154 Ca -0.03 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.58 1aim s VAL 154 Cb -0.03 -3.39 0.13 0.00 0.00 0.00 0.00 36.38 33.09 1aim s VAL 154 CO 0.02 -0.02 0.22 -0.44 0.00 0.00 0.00 175.10 174.87 1aim s SER 155 N 2.82 3.66 0.00 3.32 0.01 -1.26 -4.36 113.70 117.89 1aim s SER 155 Ca 0.73 -2.49 0.00 0.00 1.31 0.00 0.00 55.95 55.50 1aim s SER 155 Cb -0.37 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 64.88 1aim s SER 155 CO 0.31 -0.29 0.00 -1.84 0.41 0.00 0.00 173.24 171.84 1aim n GLU 156 N 3.72 1.10 -3.73 12.44 0.28 -1.26 -4.91 120.64 128.27 1aim n GLU 156 Ca 0.08 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.92 1aim n GLU 156 Cb 0.35 -0.25 -0.16 0.00 1.43 0.00 0.00 31.44 32.82 1aim n GLU 156 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1aim s ALA 156 N -0.63 -0.08 0.09 -1.84 0.00 -1.26 -5.12 121.76 112.92 1aim s ALA 156 Ca 0.00 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.13 1aim s ALA 156 Cb 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 1aim s ALA 156 CO 0.00 -0.25 1.34 -0.51 0.00 0.00 0.00 175.76 176.33 1aim s LEU 157 N 1.46 4.37 0.00 0.00 1.43 -1.26 -4.11 118.68 120.57 1aim s LEU 157 Ca -0.05 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 1aim s LEU 157 Cb -0.12 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1aim s LEU 157 CO -0.05 -0.61 0.02 -0.90 0.23 0.00 0.00 176.35 175.05 1aim n ASP 158 N 4.03 0.00 -3.82 2.29 5.68 0.08 -4.91 116.55 119.90 1aim n ASP 158 Ca 0.11 -1.00 -0.12 0.00 -0.50 0.00 0.00 54.79 53.28 1aim n ASP 158 Cb 0.43 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.31 1aim n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1aim s HIS 159 N 0.00 -0.11 -0.09 2.11 5.04 -0.70 -4.92 115.29 116.62 1aim s HIS 159 Ca 0.00 0.21 0.01 0.00 -1.54 0.00 0.00 55.06 53.73 1aim s HIS 159 Cb 0.00 0.03 -0.02 0.00 0.04 0.00 0.00 32.58 32.62 1aim s HIS 159 CO 0.00 -0.25 -0.10 0.20 -2.34 0.00 0.00 174.74 172.25 1aim s GLY 160 N -0.84 1.62 0.23 1.59 0.00 -1.26 -0.61 107.32 108.05 1aim s GLY 160 Ca -0.09 -0.90 0.05 0.00 0.00 0.00 0.00 44.72 43.77 1aim s GLY 160 CO 0.02 -0.50 0.21 3.33 0.00 0.00 0.00 173.10 176.16 1aim n VAL 161 N 2.73 0.00 -4.74 1.40 0.24 -0.27 -4.46 118.33 113.24 1aim n VAL 161 Ca -0.18 -1.65 -0.31 0.00 -2.04 0.00 0.00 64.34 60.17 1aim n VAL 161 Cb 0.53 0.84 -0.17 0.00 -1.47 0.00 0.00 33.84 33.57 1aim n VAL 161 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1aim s LEU 162 N 0.00 1.99 -0.25 1.34 2.96 -1.07 -1.52 118.68 122.13 1aim s LEU 162 Ca 0.27 -0.54 -0.24 0.00 -0.22 0.00 0.00 54.13 53.40 1aim s LEU 162 Cb 0.01 -1.33 -0.00 0.00 0.50 0.00 0.00 46.19 45.37 1aim s LEU 162 CO 0.19 0.08 0.81 -0.22 -1.32 0.00 0.00 176.35 175.89 1aim s LEU 163 N 0.75 4.08 0.00 -0.68 2.96 -0.21 -0.93 118.68 124.64 1aim s LEU 163 Ca -0.10 0.96 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 1aim s LEU 163 Cb -0.16 -3.16 0.06 0.00 0.50 0.00 0.00 46.19 43.43 1aim s LEU 163 CO 0.01 -0.53 0.82 1.33 -1.32 0.00 0.00 176.35 176.66 1aim n VAL 164 N 5.30 0.46 0.00 1.68 0.24 -0.14 -2.25 118.33 123.63 1aim n VAL 164 Ca 0.05 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1aim n VAL 164 Cb 0.48 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 1aim n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aim n GLY 165 N 0.01 -0.84 3.52 7.63 0.00 -1.21 -1.89 105.19 112.41 1aim n GLY 165 Ca 0.03 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1aim n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1aim s TYR 166 N -2.00 -0.25 -0.20 1.61 1.13 -0.76 -0.79 117.35 116.08 1aim s TYR 166 Ca 0.00 -0.07 -0.04 0.00 -1.41 0.00 0.00 57.07 55.56 1aim s TYR 166 Cb 0.00 0.47 0.09 0.00 -1.10 0.00 0.00 41.96 41.43 1aim s TYR 166 CO 0.00 -0.93 0.23 1.21 -2.51 0.00 0.00 175.55 173.55 1aim s ASN 167 N -2.84 1.23 0.00 -0.18 3.84 -0.49 -2.04 114.94 114.46 1aim s ASN 167 Ca 0.07 -0.13 0.25 0.00 0.21 0.00 0.00 52.86 53.25 1aim s ASN 167 Cb -0.01 0.44 0.41 0.00 -0.55 0.00 0.00 41.25 41.53 1aim s ASN 167 CO -0.05 -0.32 1.34 0.47 -2.79 0.00 0.00 177.10 175.76 1aim n ASP 167 N 5.32 1.35 -3.79 -4.21 8.00 -0.14 -2.05 116.55 121.04 1aim n ASP 167 Ca -0.05 -1.08 -0.42 0.00 0.71 0.00 0.00 54.79 53.94 1aim n ASP 167 Cb 0.50 0.32 0.01 0.00 -0.02 0.00 0.00 41.12 41.92 1aim n ASP 167 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1aim n SER 167 N -0.53 6.42 -0.01 -2.24 3.41 -1.25 -4.73 113.62 114.68 1aim n SER 167 Ca 0.10 -3.29 -0.19 0.00 -0.26 0.00 0.00 58.87 55.23 1aim n SER 167 Cb 0.39 -1.35 -0.14 0.00 -0.26 0.00 0.00 64.21 62.86 1aim n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aim h ALA 167 N 5.19 0.04 -3.28 7.33 0.00 -2.06 -3.49 119.26 123.00 1aim h ALA 167 Ca 0.42 -0.78 -0.67 0.00 0.00 0.00 0.00 54.91 53.88 1aim h ALA 167 Cb 0.51 0.23 -0.34 0.00 0.00 0.00 0.00 17.79 18.19 1aim h ALA 167 CO 1.45 0.40 -0.81 0.08 0.00 0.00 0.00 179.25 180.37 1aim s VAL 168 N -2.37 2.37 0.33 0.00 1.01 -1.26 -5.10 120.40 115.38 1aim s VAL 168 Ca -0.18 -1.08 -0.28 0.00 0.00 0.00 0.00 61.98 60.44 1aim s VAL 168 Cb 0.01 -2.14 -0.13 0.00 0.00 0.00 0.00 36.38 34.12 1aim s VAL 168 CO 0.74 0.33 1.17 -0.81 0.00 0.00 0.00 175.10 176.54 1aim n PRO 169 N 4.60 1.80 -4.18 2.72 -0.04 -1.26 -4.91 135.00 133.74 1aim n PRO 169 Ca -0.18 0.63 -0.11 0.00 -0.04 0.00 0.00 63.50 63.80 1aim n PRO 169 Cb 0.48 -2.13 -0.10 0.00 -0.04 0.00 0.00 33.50 31.70 1aim n PRO 169 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1aim s TYR 170 N -1.09 0.94 0.08 0.54 -0.85 -0.87 -1.01 117.35 115.09 1aim s TYR 170 Ca 0.57 -1.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.05 1aim s TYR 170 Cb -0.62 -0.55 -0.04 0.00 0.38 0.00 0.00 41.96 41.13 1aim s TYR 170 CO 0.61 -0.34 0.11 -1.58 -1.52 0.00 0.00 175.55 172.83 1aim s TRP 171 N -3.83 3.26 -0.19 -3.49 0.52 -0.22 -1.39 118.94 113.60 1aim s TRP 171 Ca 0.20 0.12 -0.02 0.00 0.02 0.00 0.00 56.10 56.42 1aim s TRP 171 Cb 0.07 -1.65 -0.00 0.00 -1.15 0.00 0.00 33.47 30.74 1aim s TRP 171 CO 0.00 0.54 -0.11 0.42 0.02 0.00 0.00 176.95 177.82 1aim s ILE 172 N -1.42 2.89 -0.08 2.03 1.01 0.03 -2.71 121.20 122.95 1aim s ILE 172 Ca 0.31 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1aim s ILE 172 Cb -0.12 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.08 1aim s ILE 172 CO 0.23 0.48 -0.18 -0.63 0.00 0.00 0.00 174.94 174.84 1aim s ILE 173 N 1.18 1.57 -0.13 2.92 1.01 0.18 -0.96 121.20 126.97 1aim s ILE 173 Ca 0.02 -0.74 -0.22 0.00 0.00 0.00 0.00 60.65 59.70 1aim s ILE 173 Cb -0.14 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1aim s ILE 173 CO -0.04 0.45 0.68 -0.75 0.00 0.00 0.00 174.94 175.28 1aim s LYS 174 N 0.43 4.34 0.51 2.79 2.20 -0.11 -1.05 119.74 128.86 1aim s LYS 174 Ca -0.15 0.79 0.05 0.00 -0.36 0.00 0.00 55.97 56.30 1aim s LYS 174 Cb -0.16 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1aim s LYS 174 CO 0.06 -0.09 0.25 1.21 -0.36 0.00 0.00 175.35 176.42 1aim s ASN 175 N 0.96 4.45 -0.36 1.43 2.47 -0.99 -2.58 114.94 120.32 1aim s ASN 175 Ca 0.34 -1.32 0.06 0.00 0.42 0.00 0.00 52.86 52.36 1aim s ASN 175 Cb -0.17 0.25 0.44 0.00 -1.45 0.00 0.00 41.25 40.33 1aim s ASN 175 CO 0.14 -0.91 1.15 -1.54 -3.72 0.00 0.00 177.10 172.21 1aim n SER 176 N -1.51 4.74 -2.12 -4.21 3.41 -1.26 -4.50 113.62 108.17 1aim n SER 176 Ca -0.06 -3.70 -0.24 0.00 -0.26 0.00 0.00 58.87 54.61 1aim n SER 176 Cb 0.65 -0.40 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 1aim n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1aim n TRP 177 N -0.59 2.79 -1.04 7.33 8.01 -1.25 -1.91 117.44 130.78 1aim n TRP 177 Ca 0.41 -2.35 0.13 0.00 -1.31 0.00 0.00 57.50 54.38 1aim n TRP 177 Cb 0.82 -0.30 -0.05 0.00 -2.01 0.00 0.00 31.31 29.77 1aim n TRP 177 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1aim n THR 178 N -0.67 0.00 0.28 -0.99 -2.24 -1.05 -4.07 114.28 105.53 1aim n THR 178 Ca 0.42 0.34 0.16 0.00 -2.27 0.00 0.00 64.05 62.70 1aim n THR 178 Cb 0.92 -0.69 0.76 0.00 -2.10 0.00 0.00 70.33 69.22 1aim n THR 178 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1aim h THR 179 N -0.99 0.22 0.00 4.28 1.35 -1.85 -3.05 112.91 112.88 1aim h THR 179 Ca -0.06 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1aim h THR 179 Cb 0.97 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1aim h THR 179 CO 0.03 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 1aim n GLN 180 N -3.27 0.13 -3.97 4.72 1.13 -1.26 -2.43 117.38 112.42 1aim n GLN 180 Ca -0.01 0.19 -0.32 0.00 -1.94 0.00 0.00 57.00 54.91 1aim n GLN 180 Cb 0.26 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.06 1aim n GLN 180 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 1aim s TRP 181 N -2.75 3.44 0.00 1.08 -0.00 -1.15 -4.94 118.94 114.61 1aim s TRP 181 Ca 0.11 0.27 0.00 0.00 -0.00 0.00 0.00 56.10 56.48 1aim s TRP 181 Cb 0.10 -1.77 0.00 0.00 -0.00 0.00 0.00 33.47 31.80 1aim s TRP 181 CO 0.25 0.60 0.00 0.41 -0.00 0.00 0.00 176.95 178.21 1aim n GLY 182 N 0.81 2.14 3.46 5.86 0.00 -1.26 -0.25 105.19 115.95 1aim n GLY 182 Ca -0.10 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 1aim n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aim s GLU 183 N 0.00 3.94 -1.46 1.61 2.02 -0.21 -4.38 118.70 120.23 1aim s GLU 183 Ca 0.00 -2.32 -0.09 0.00 0.02 0.00 0.00 54.97 52.58 1aim s GLU 183 Cb 0.00 -5.03 0.03 0.00 0.10 0.00 0.00 34.13 29.23 1aim s GLU 183 CO 0.00 -1.78 0.88 -1.91 0.02 0.00 0.00 175.26 172.48 1aim n GLU 184 N 5.97 -6.01 -0.04 1.61 4.07 -1.24 -1.41 120.64 123.59 1aim n GLU 184 Ca 0.33 0.78 0.00 0.00 -0.06 0.00 0.00 57.16 58.21 1aim n GLU 184 Cb 0.45 -5.70 0.00 0.00 -0.06 0.00 0.00 31.44 26.12 1aim n GLU 184 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1aim n GLY 185 N -1.70 0.94 3.90 8.31 0.00 0.65 -4.62 105.19 112.67 1aim n GLY 185 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 1aim n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aim s TYR 186 N -2.36 3.24 0.00 1.61 1.51 -0.50 -2.35 117.35 118.50 1aim s TYR 186 Ca 0.00 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 55.98 1aim s TYR 186 Cb 0.00 -1.54 -0.01 0.00 -0.11 0.00 0.00 41.96 40.31 1aim s TYR 186 CO 0.00 0.43 -0.04 -1.50 -1.11 0.00 0.00 175.55 173.33 1aim s ILE 187 N -2.08 0.28 -0.13 2.71 2.07 -0.21 -1.04 121.20 122.79 1aim s ILE 187 Ca 0.35 -0.32 -0.00 0.00 -1.41 0.00 0.00 60.65 59.27 1aim s ILE 187 Cb -0.08 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 1aim s ILE 187 CO 0.27 -0.03 -0.13 -0.13 -1.91 0.00 0.00 174.94 173.01 1aim s ARG 188 N -0.37 3.38 0.14 3.50 0.52 -1.26 -0.65 118.95 124.21 1aim s ARG 188 Ca -0.02 -0.69 0.09 0.00 -0.52 0.00 0.00 55.73 54.59 1aim s ARG 188 Cb -0.03 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 1aim s ARG 188 CO -0.00 0.22 -0.20 0.96 0.02 0.00 0.00 175.30 176.30 1aim s ILE 189 N 0.34 1.82 0.37 1.52 -4.36 -1.10 -1.23 121.20 118.57 1aim s ILE 189 Ca -0.11 -1.78 -0.28 0.00 -0.26 0.00 0.00 60.65 58.22 1aim s ILE 189 Cb -0.16 -1.76 -0.11 0.00 1.25 0.00 0.00 42.46 41.69 1aim s ILE 189 CO 0.06 -0.20 1.49 0.00 0.24 0.00 0.00 174.94 176.54 1aim s ALA 190 N -1.66 3.59 -0.16 2.27 0.00 -0.47 -1.05 121.76 124.28 1aim s ALA 190 Ca 0.12 1.57 -0.06 0.00 0.00 0.00 0.00 51.96 53.59 1aim s ALA 190 Cb -0.08 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1aim s ALA 190 CO 0.06 -1.04 0.04 0.21 0.00 0.00 0.00 175.76 175.03 1aim s LYS 191 N -1.95 3.76 0.00 0.00 2.20 -0.18 -4.40 119.74 119.17 1aim s LYS 191 Ca 0.54 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1aim s LYS 191 Cb -0.46 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1aim s LYS 191 CO 0.62 0.37 0.00 0.41 -0.36 0.00 0.00 175.35 176.38 1aim n GLY 192 N 3.22 1.99 0.09 5.54 0.00 -1.26 -4.72 105.19 110.05 1aim n GLY 192 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.94 1aim n GLY 192 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aim n SER 193 N 0.00 2.38 -3.84 1.61 3.41 -1.26 -5.00 113.62 110.91 1aim n SER 193 Ca 0.00 -3.00 -0.29 0.00 -0.26 0.00 0.00 58.87 55.32 1aim n SER 193 Cb 0.00 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 63.56 1aim n SER 193 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1aim n ASN 198 N -1.33 -2.61 -4.71 4.04 5.15 -1.26 -4.93 115.26 109.62 1aim n ASN 198 Ca 0.15 -1.02 -0.42 0.00 -0.60 0.00 0.00 54.58 52.69 1aim n ASN 198 Cb 0.62 -3.14 -0.03 0.00 -0.53 0.00 0.00 39.78 36.69 1aim n ASN 198 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1aim s GLN 199 N -6.35 4.33 -2.00 1.20 -1.52 -1.26 -2.22 119.66 111.83 1aim s GLN 199 Ca 0.22 2.03 0.00 0.00 -1.95 0.00 0.00 55.36 55.66 1aim s GLN 199 Cb -0.09 -3.31 0.00 0.00 -0.22 0.00 0.00 33.01 29.39 1aim s GLN 199 CO 0.88 -0.44 0.00 0.00 -0.25 0.00 0.00 175.29 175.48 1aim n LEU 201 N -2.44 -2.94 0.26 0.00 4.77 -0.94 -1.01 117.00 114.70 1aim n LEU 201 Ca -0.21 -0.41 0.11 0.00 -0.03 0.00 0.00 56.01 55.47 1aim n LEU 201 Cb 0.66 -2.97 0.71 0.00 -2.33 0.00 0.00 43.42 39.49 1aim n LEU 201 CO 0.30 0.41 1.02 1.62 -1.33 0.00 0.00 177.39 179.40 1aim h VAL 202 N -1.93 0.79 -0.00 4.08 3.04 -1.66 -2.59 116.25 117.98 1aim h VAL 202 Ca -0.55 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 1aim h VAL 202 Cb 1.37 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1aim h VAL 202 CO 0.57 0.07 -0.14 2.29 -1.01 0.00 0.00 177.57 179.35 1aim n LYS 203 N -4.06 0.48 0.01 4.17 2.85 -1.26 -4.47 118.16 115.87 1aim n LYS 203 Ca -0.03 -0.16 -0.15 0.00 -1.05 0.00 0.00 58.31 56.92 1aim n LYS 203 Cb 0.16 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.00 1aim n LYS 203 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1aim h GLU 204 N 0.39 0.66 -2.15 -1.58 4.39 -1.76 -3.38 114.58 111.15 1aim h GLU 204 Ca 0.00 -0.57 -0.57 0.00 0.34 0.00 0.00 59.36 58.56 1aim h GLU 204 Cb 0.40 0.13 -0.39 0.00 -0.10 0.00 0.00 28.75 28.79 1aim h GLU 204 CO 0.00 1.18 -1.04 -1.91 -1.16 0.00 0.00 179.01 176.08 1aim n GLU 205 N -3.89 0.62 -4.26 2.33 4.07 -1.26 -4.87 120.64 113.38 1aim n GLU 205 Ca -0.07 -3.28 -0.34 0.00 -0.06 0.00 0.00 57.16 53.41 1aim n GLU 205 Cb 0.76 -1.42 -0.11 0.00 -0.06 0.00 0.00 31.44 30.61 1aim n GLU 205 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1aim s ALA 206 N -0.81 3.21 0.26 4.31 0.00 -1.26 -2.88 121.76 124.59 1aim s ALA 206 Ca 0.34 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 1aim s ALA 206 Cb 0.12 -1.67 -0.00 0.00 0.00 0.00 0.00 23.12 21.57 1aim s ALA 206 CO -0.14 0.29 0.46 -1.54 0.00 0.00 0.00 175.76 174.83 1aim s SER 207 N 0.07 0.10 -0.05 0.00 1.04 -0.38 -0.90 113.70 113.58 1aim s SER 207 Ca 0.02 -1.07 -0.19 0.00 0.48 0.00 0.00 55.95 55.19 1aim s SER 207 Cb -0.13 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.62 1aim s SER 207 CO 0.02 -1.16 0.43 -0.55 0.98 0.00 0.00 173.24 172.95 1aim s SER 208 N -3.07 -0.36 0.54 7.02 0.15 -0.55 -0.60 113.70 116.83 1aim s SER 208 Ca 0.25 0.40 -0.18 0.00 0.70 0.00 0.00 55.95 57.12 1aim s SER 208 Cb -0.00 0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 64.74 1aim s SER 208 CO 0.11 -0.43 1.05 0.00 1.20 0.00 0.00 173.24 175.17 1aim s ALA 209 N -0.98 2.81 -0.07 5.45 0.00 -1.26 -0.58 121.76 127.13 1aim s ALA 209 Ca -0.10 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.40 1aim s ALA 209 Cb -0.04 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1aim s ALA 209 CO 0.05 -0.55 -0.22 0.14 0.00 0.00 0.00 175.76 175.18 1aim s VAL 210 N -2.21 2.32 0.60 0.00 -7.23 -0.26 -4.82 120.40 108.80 1aim s VAL 210 Ca 0.65 -0.96 -0.07 0.00 -1.81 0.00 0.00 61.98 59.79 1aim s VAL 210 Cb -0.16 -1.88 -0.00 0.00 0.56 0.00 0.00 36.38 34.90 1aim s VAL 210 CO 0.28 0.56 0.93 -0.69 -0.31 0.00 0.00 175.10 175.88 1aim s VAL 211 N -0.08 3.91 0.00 1.32 1.01 -1.26 -0.45 120.40 124.85 1aim s VAL 211 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1aim s VAL 211 Cb -0.14 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1aim s VAL 211 CO 0.04 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.14