#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aim n PRO 2 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.76 135.00 128.96 2aim n PRO 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2aim n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2aim n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aim n ALA 3 N 0.54 0.00 -3.35 3.55 0.00 -1.26 -4.52 120.51 115.46 2aim n ALA 3 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2aim n ALA 3 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2aim n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aim s ALA 4 N -1.00 -1.16 -0.07 0.00 0.00 -1.26 -0.12 121.76 118.16 2aim s ALA 4 Ca 0.00 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 52.87 2aim s ALA 4 Cb 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.89 2aim s ALA 4 CO 0.00 -0.27 0.14 0.08 0.00 0.00 0.00 175.76 175.71 2aim s VAL 5 N -0.69 -0.08 -0.20 0.00 1.01 -0.39 -3.09 120.40 116.96 2aim s VAL 5 Ca -0.08 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 2aim s VAL 5 Cb -0.03 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.16 2aim s VAL 5 CO 0.04 0.09 -0.04 -0.62 0.00 0.00 0.00 175.10 174.57 2aim s ASP 6 N 1.34 3.22 0.20 3.32 -1.08 -1.26 -1.34 116.67 121.07 2aim s ASP 6 Ca -0.07 -0.88 0.23 0.00 -0.52 0.00 0.00 52.55 51.31 2aim s ASP 6 Cb -0.12 -0.95 0.91 0.00 -1.46 0.00 0.00 42.92 41.30 2aim s ASP 6 CO -0.06 -0.22 1.71 0.79 0.52 0.00 0.00 175.17 177.91 2aim n TRP 7 N 4.83 0.70 -0.20 -5.34 7.02 -0.34 -2.22 117.44 121.89 2aim n TRP 7 Ca -0.11 0.25 -0.08 0.00 -1.02 0.00 0.00 57.50 56.54 2aim n TRP 7 Cb 0.46 -0.91 0.05 0.00 -2.42 0.00 0.00 31.31 28.49 2aim n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2aim h ARG 8 N 0.00 1.04 0.00 -0.99 3.08 -1.94 -1.90 114.38 113.66 2aim h ARG 8 Ca 0.00 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2aim h ARG 8 Cb 0.45 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2aim h ARG 8 CO 0.00 1.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.91 2aim n ALA 9 N -2.48 2.06 -1.02 0.04 0.00 -0.94 -2.05 120.51 116.11 2aim n ALA 9 Ca 0.03 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.42 2aim n ALA 9 Cb 0.34 -1.31 0.30 0.00 0.00 0.00 0.00 19.45 18.78 2aim n ALA 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2aim n ARG 10 N -1.22 3.48 -1.29 0.00 3.00 -0.74 -4.96 116.66 114.93 2aim n ARG 10 Ca 0.10 -3.00 -0.10 0.00 -0.01 0.00 0.00 57.85 54.84 2aim n ARG 10 Cb 0.13 -2.01 -0.04 0.00 0.00 0.00 0.00 32.46 30.53 2aim n ARG 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2aim n GLY 11 N -0.22 0.97 0.84 -0.13 0.00 -0.87 -4.86 105.19 100.91 2aim n GLY 11 Ca 0.27 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.38 2aim n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aim n ALA 12 N 1.19 2.47 -3.14 4.61 0.00 -1.07 -4.88 120.51 119.68 2aim n ALA 12 Ca -0.10 -0.74 -0.25 0.00 0.00 0.00 0.00 53.44 52.35 2aim n ALA 12 Cb 0.57 -0.98 -0.16 0.00 0.00 0.00 0.00 19.45 18.88 2aim n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2aim s VAL 13 N -1.67 1.28 0.85 0.00 1.01 -1.26 -4.26 120.40 116.36 2aim s VAL 13 Ca 0.35 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 2aim s VAL 13 Cb 0.20 -1.13 0.10 0.00 0.00 0.00 0.00 36.38 35.55 2aim s VAL 13 CO 0.29 0.38 1.15 0.42 0.00 0.00 0.00 175.10 177.34 2aim s THR 14 N 0.30 2.13 0.94 3.92 -4.23 -1.26 -5.01 115.64 112.44 2aim s THR 14 Ca -0.09 0.04 -0.12 0.00 -1.18 0.00 0.00 61.69 60.35 2aim s THR 14 Cb -0.13 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 70.88 2aim s THR 14 CO 0.03 -0.05 0.76 0.00 -0.54 0.00 0.00 174.62 174.81 2aim n ALA 15 N -3.49 -1.80 -2.01 3.99 0.00 -1.26 -4.95 120.51 111.00 2aim n ALA 15 Ca 0.07 -0.61 -0.41 0.00 0.00 0.00 0.00 53.44 52.50 2aim n ALA 15 Cb 0.60 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 2aim n ALA 15 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2aim s VAL 16 N -2.51 3.38 0.44 0.00 1.01 -1.26 -5.05 120.40 116.41 2aim s VAL 16 Ca 0.62 1.17 0.05 0.00 0.00 0.00 0.00 61.98 63.82 2aim s VAL 16 Cb -0.22 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.47 2aim s VAL 16 CO 0.63 0.19 0.44 0.29 0.00 0.00 0.00 175.10 176.66 2aim n LYS 17 N 2.40 0.79 -3.85 2.72 5.02 -1.26 -4.80 118.16 119.18 2aim n LYS 17 Ca 0.05 -2.58 -0.26 0.00 -2.02 0.00 0.00 58.31 53.49 2aim n LYS 17 Cb 0.44 0.09 -0.17 0.00 -0.02 0.00 0.00 35.03 35.37 2aim n LYS 17 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2aim s ASP 18 N -3.63 2.36 0.21 4.39 2.15 -1.26 -2.31 116.67 118.57 2aim s ASP 18 Ca 0.34 -0.44 0.05 0.00 0.43 0.00 0.00 52.55 52.93 2aim s ASP 18 Cb -0.03 -0.75 0.15 0.00 -0.30 0.00 0.00 42.92 41.99 2aim s ASP 18 CO 0.21 -0.18 1.49 0.06 -0.17 0.00 0.00 175.17 176.58 2aim h GLN 19 N 8.20 0.17 0.00 4.34 3.07 -1.58 -3.49 115.11 125.81 2aim h GLN 19 Ca -0.24 -0.15 0.00 0.00 0.09 0.00 0.00 58.65 58.36 2aim h GLN 19 Cb 1.12 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.71 2aim h GLN 19 CO 0.36 0.82 0.00 0.41 0.09 0.00 0.00 178.83 180.52 2aim n GLY 20 N 0.54 0.41 0.00 0.06 0.00 -1.26 -3.38 105.19 101.56 2aim n GLY 20 Ca -0.02 -0.83 0.06 0.00 0.00 0.00 0.00 46.02 45.23 2aim n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2aim n GLN 21 N 0.00 0.19 -3.01 1.61 1.13 0.38 -4.77 117.38 112.91 2aim n GLN 21 Ca 0.00 0.16 -0.37 0.00 -1.94 0.00 0.00 57.00 54.84 2aim n GLN 21 Cb 0.00 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.79 2aim n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2aim n GLY 23 N 0.99 4.69 0.82 0.00 0.00 -0.80 -4.58 105.19 106.32 2aim n GLY 23 Ca -0.03 -1.80 0.06 0.00 0.00 0.00 0.00 46.02 44.25 2aim n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aim n SER 24 N 3.35 3.26 0.02 1.61 3.41 -1.26 -1.78 113.62 122.22 2aim n SER 24 Ca 0.63 -3.23 0.10 0.00 -0.26 0.00 0.00 58.87 56.11 2aim n SER 24 Cb 0.28 -0.55 0.53 0.00 -0.26 0.00 0.00 64.21 64.21 2aim n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aim h TRP 26 N 0.31 1.03 0.06 0.00 5.08 -1.84 -0.69 115.95 119.90 2aim h TRP 26 Ca 0.19 0.03 -0.27 0.00 1.08 0.00 0.00 58.89 59.91 2aim h TRP 26 Cb 0.34 -0.34 0.02 0.00 -3.00 0.00 0.00 29.16 26.18 2aim h TRP 26 CO -0.00 0.57 -1.12 0.00 -1.28 0.00 0.00 178.44 176.61 2aim h ALA 27 N 1.51 0.14 -0.61 0.11 0.00 -1.41 -2.09 119.26 116.91 2aim h ALA 27 Ca 0.36 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2aim h ALA 27 Cb 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2aim h ALA 27 CO -0.12 0.76 0.16 0.74 0.00 0.00 0.00 179.25 180.79 2aim h PHE 28 N 0.27 1.01 0.25 0.00 -1.00 -0.96 -0.58 116.94 115.93 2aim h PHE 28 Ca -0.14 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.51 2aim h PHE 28 Cb 1.78 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 41.05 2aim h PHE 28 CO 0.09 0.85 -0.12 1.03 -1.61 0.00 0.00 178.31 178.55 2aim h SER 29 N 0.88 -0.28 0.28 2.17 0.87 -1.16 0.41 113.55 116.74 2aim h SER 29 Ca 0.19 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2aim h SER 29 Cb 0.34 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2aim h SER 29 CO -0.00 -0.18 -0.14 0.00 -0.53 0.00 0.00 176.83 175.98 2aim h ALA 30 N 0.40 -0.38 -0.54 6.23 0.00 -1.28 -1.74 119.26 121.95 2aim h ALA 30 Ca -0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2aim h ALA 30 Cb 0.27 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2aim h ALA 30 CO 0.06 -0.69 0.20 0.82 0.00 0.00 0.00 179.25 179.63 2aim h ILE 31 N -0.42 1.23 -0.82 0.00 1.08 -1.13 -1.93 117.51 115.51 2aim h ILE 31 Ca -0.04 -0.72 0.06 0.00 -0.39 0.00 0.00 64.86 63.77 2aim h ILE 31 Cb 0.32 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.70 2aim h ILE 31 CO 0.06 0.27 0.50 1.23 -0.69 0.00 0.00 178.15 179.53 2aim h GLY 32 N 0.74 1.22 0.91 5.37 0.00 -0.71 0.41 103.07 111.01 2aim h GLY 32 Ca 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2aim h GLY 32 CO -0.01 0.25 0.10 -0.57 0.00 0.00 0.00 176.54 176.31 2aim h ASN 33 N 0.92 0.35 -0.59 0.19 -0.73 -1.11 -2.66 115.58 111.95 2aim h ASN 33 Ca 0.36 -0.16 0.02 0.00 1.87 0.00 0.00 56.30 58.38 2aim h ASN 33 Cb 0.16 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.63 2aim h ASN 33 CO -0.17 0.42 0.38 0.58 -0.37 0.00 0.00 177.43 178.26 2aim h VAL 34 N 0.26 1.11 -0.89 2.57 2.07 -0.28 -0.92 116.25 120.17 2aim h VAL 34 Ca 0.08 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.44 2aim h VAL 34 Cb 0.18 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 2aim h VAL 34 CO -0.01 0.14 0.54 -0.33 0.02 0.00 0.00 177.57 177.93 2aim h GLU 35 N 0.76 0.87 -0.09 1.57 5.08 -0.91 0.59 114.58 122.44 2aim h GLU 35 Ca 0.23 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 2aim h GLU 35 Cb -0.03 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.02 2aim h GLU 35 CO -0.07 0.58 -0.47 0.00 -1.00 0.00 0.00 179.01 178.04 2aim h GLN 37 N 0.06 0.88 -0.46 0.00 1.08 -0.75 -1.25 115.11 114.67 2aim h GLN 37 Ca -0.03 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2aim h GLN 37 Cb 1.12 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 28.34 2aim h GLN 37 CO 0.10 0.63 0.29 2.35 -0.95 0.00 0.00 178.83 181.25 2aim h TRP 38 N 0.87 0.54 -0.10 2.96 2.91 -0.90 -0.21 115.95 122.02 2aim h TRP 38 Ca 0.23 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.28 2aim h TRP 38 Cb -0.01 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.44 2aim h TRP 38 CO -0.02 0.33 -0.00 0.35 -1.03 0.00 0.00 178.44 178.07 2aim h PHE 39 N 0.58 -0.01 0.00 2.65 3.57 -1.06 -2.50 116.94 120.17 2aim h PHE 39 Ca 0.18 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2aim h PHE 39 Cb -0.03 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 2aim h PHE 39 CO -0.06 -0.02 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.93 2aim h LEU 40 N 0.03 0.00 -0.53 0.59 3.38 -0.88 0.11 115.31 118.01 2aim h LEU 40 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2aim h LEU 40 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2aim h LEU 40 CO -0.08 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.46 2aim n ALA 41 N -2.10 2.46 -1.94 1.53 0.00 -0.12 -4.84 120.51 115.50 2aim n ALA 41 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2aim n ALA 41 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2aim n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aim n GLY 42 N 0.23 0.76 3.28 0.00 0.00 0.33 -5.05 105.19 104.73 2aim n GLY 42 Ca 0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 2aim n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aim s HIS 43 N -2.40 1.70 0.38 1.61 3.76 -0.86 -5.04 115.29 114.44 2aim s HIS 43 Ca 0.00 -0.45 -0.27 0.00 -0.15 0.00 0.00 55.06 54.19 2aim s HIS 43 Cb 0.00 -0.91 -0.09 0.00 1.11 0.00 0.00 32.58 32.69 2aim s HIS 43 CO 0.00 0.21 1.31 -1.25 -0.85 0.00 0.00 174.74 174.16 2aim s PRO 44 N -2.15 4.12 0.02 8.40 0.04 -1.26 -3.88 135.00 140.30 2aim s PRO 44 Ca 0.08 2.20 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 2aim s PRO 44 Cb -0.09 -2.89 -0.08 0.00 0.04 0.00 0.00 34.50 31.49 2aim s PRO 44 CO 0.04 -0.38 1.83 -1.17 0.04 0.00 0.00 177.00 177.37 2aim s LEU 45 N -2.17 4.39 -0.03 -3.56 2.96 -1.26 -4.69 118.68 114.32 2aim s LEU 45 Ca 0.54 2.54 0.05 0.00 -0.22 0.00 0.00 54.13 57.04 2aim s LEU 45 Cb -0.39 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.75 2aim s LEU 45 CO 0.51 -1.00 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.46 2aim s THR 46 N 3.99 1.55 -0.03 3.68 2.01 -1.26 -5.11 115.64 120.47 2aim s THR 46 Ca 0.82 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 2aim s THR 46 Cb -0.40 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2aim s THR 46 CO 0.37 0.44 1.29 0.20 -0.69 0.00 0.00 174.62 176.23 2aim s ASN 47 N -0.27 6.96 0.35 3.53 -0.87 -1.26 -4.83 114.94 118.56 2aim s ASN 47 Ca 0.03 1.95 0.09 0.00 -1.57 0.00 0.00 52.86 53.36 2aim s ASN 47 Cb -0.09 -2.56 -0.05 0.00 -0.02 0.00 0.00 41.25 38.53 2aim s ASN 47 CO 0.01 -0.64 0.07 -0.76 -2.57 0.00 0.00 177.10 173.20 2aim s LEU 48 N 2.27 3.07 -0.35 0.60 1.43 -1.26 -1.64 118.68 122.80 2aim s LEU 48 Ca 0.59 -0.95 -0.20 0.00 -1.03 0.00 0.00 54.13 52.54 2aim s LEU 48 Cb -0.28 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2aim s LEU 48 CO 0.24 -0.29 0.62 -0.55 0.23 0.00 0.00 176.35 176.59 2aim s SER 49 N -3.77 6.41 0.20 2.29 0.15 -0.32 -4.17 113.70 114.49 2aim s SER 49 Ca 0.36 0.13 -0.02 0.00 0.70 0.00 0.00 55.95 57.12 2aim s SER 49 Cb -0.00 -2.32 0.14 0.00 -1.71 0.00 0.00 66.02 62.13 2aim s SER 49 CO 0.21 -0.57 1.52 -0.33 1.20 0.00 0.00 173.24 175.26 2aim h GLU 50 N 8.45 0.52 -0.90 5.44 3.07 -1.88 -3.24 114.58 126.04 2aim h GLU 50 Ca -0.27 -0.32 0.07 0.00 -0.50 0.00 0.00 59.36 58.35 2aim h GLU 50 Cb 1.11 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 29.00 2aim h GLU 50 CO 0.82 0.92 0.58 0.37 -1.40 0.00 0.00 179.01 180.31 2aim h GLN 51 N 0.40 0.97 -0.40 2.33 5.75 -1.88 -0.36 115.11 121.92 2aim h GLN 51 Ca 0.01 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.53 2aim h GLN 51 Cb 1.07 -0.22 -0.07 0.00 1.07 0.00 0.00 27.48 29.33 2aim h GLN 51 CO 0.10 0.64 -0.06 1.98 -2.65 0.00 0.00 178.83 178.84 2aim h MET 52 N 0.99 0.04 0.12 1.69 4.05 -1.82 0.32 114.93 120.33 2aim h MET 52 Ca 0.39 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.81 2aim h MET 52 Cb 0.24 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2aim h MET 52 CO -0.15 0.03 -0.06 -0.07 0.23 0.00 0.00 176.91 176.88 2aim h LEU 53 N 0.04 -0.14 -0.85 3.39 3.38 -1.33 0.11 115.31 119.91 2aim h LEU 53 Ca 0.19 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 58.01 2aim h LEU 53 Cb 0.29 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 2aim h LEU 53 CO -0.38 0.22 0.46 0.58 0.09 0.00 0.00 178.44 179.42 2aim h VAL 54 N -0.53 0.79 0.02 1.22 2.07 -0.78 0.08 116.25 119.13 2aim h VAL 54 Ca -0.02 -0.24 -0.34 0.00 0.82 0.00 0.00 66.70 66.93 2aim h VAL 54 Cb 0.42 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 2aim h VAL 54 CO 0.03 0.13 -2.04 -1.20 0.02 0.00 0.00 177.57 174.51 2aim n SER 55 N -4.81 0.95 -0.07 0.57 7.64 0.07 -4.10 113.62 113.87 2aim n SER 55 Ca 0.16 0.20 -0.04 0.00 1.01 0.00 0.00 58.87 60.20 2aim n SER 55 Cb 0.39 0.08 -0.14 0.00 -1.01 0.00 0.00 64.21 63.52 2aim n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aim s ASP 57 N -4.95 5.92 -0.08 0.00 2.15 -0.00 -4.84 116.67 114.86 2aim s ASP 57 Ca -0.08 0.76 0.16 0.00 0.43 0.00 0.00 52.55 53.81 2aim s ASP 57 Cb 0.07 -2.53 0.59 0.00 -0.30 0.00 0.00 42.92 40.75 2aim s ASP 57 CO 0.75 -1.79 1.48 0.29 -0.17 0.00 0.00 175.17 175.73 2aim n LYS 58 N 8.56 3.13 0.03 4.34 4.01 -1.26 -3.64 118.16 133.33 2aim n LYS 58 Ca 0.18 -2.35 0.02 0.00 -0.51 0.00 0.00 58.31 55.66 2aim n LYS 58 Cb 0.49 -1.74 -0.08 0.00 -0.51 0.00 0.00 35.03 33.19 2aim n LYS 58 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2aim n THR 59 N 0.97 1.01 -2.93 -0.18 -1.04 -1.26 -4.91 114.28 105.94 2aim n THR 59 Ca 0.21 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 2aim n THR 59 Cb 0.72 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 2aim n THR 59 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2aim n ASP 60 N -2.79 0.66 -2.40 8.00 8.00 -1.24 -4.97 116.55 121.80 2aim n ASP 60 Ca -0.09 -0.60 -0.16 0.00 0.71 0.00 0.00 54.79 54.64 2aim n ASP 60 Cb 0.79 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.92 2aim n ASP 60 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2aim n SER 61 N -1.40 3.56 0.00 -2.24 7.64 -0.71 -5.01 113.62 115.46 2aim n SER 61 Ca 0.00 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.73 2aim n SER 61 Cb 0.00 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2aim n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aim n GLY 62 N -0.56 3.11 0.00 0.23 0.00 -1.25 -0.71 105.19 106.01 2aim n GLY 62 Ca 0.29 0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.43 2aim n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aim n SER 64 N -0.66 3.22 0.00 0.00 7.64 0.11 -1.90 113.62 122.03 2aim n SER 64 Ca 0.05 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.95 2aim n SER 64 Cb 0.02 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2aim n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aim n GLY 65 N 1.40 1.12 0.00 0.23 0.00 -0.73 -4.95 105.19 102.25 2aim n GLY 65 Ca 0.17 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2aim n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aim n GLY 66 N -0.19 -1.31 3.05 -0.02 0.00 -1.26 -1.73 105.19 103.72 2aim n GLY 66 Ca 0.00 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 2aim n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aim s LEU 67 N 0.00 2.06 0.15 0.99 1.43 -1.26 -4.71 118.68 117.34 2aim s LEU 67 Ca 0.00 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 2aim s LEU 67 Cb 0.00 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 2aim s LEU 67 CO 0.00 0.07 1.54 0.24 0.23 0.00 0.00 176.35 178.43 2aim h MET 68 N 5.64 0.94 -0.97 1.70 2.86 -1.99 -1.77 114.93 121.35 2aim h MET 68 Ca -0.32 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 56.97 2aim h MET 68 Cb 1.18 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.75 2aim h MET 68 CO 0.48 1.06 0.63 -0.91 1.06 0.00 0.00 176.91 179.23 2aim h ASN 69 N 0.78 1.04 -0.41 1.22 2.35 -1.96 0.29 115.58 118.89 2aim h ASN 69 Ca 0.11 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 2aim h ASN 69 Cb 0.75 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2aim h ASN 69 CO 0.06 0.70 -0.07 0.78 -1.65 0.00 0.00 177.43 177.25 2aim h ASN 70 N 1.19 0.76 -0.69 5.81 2.35 -1.86 -1.80 115.58 121.35 2aim h ASN 70 Ca 0.39 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2aim h ASN 70 Cb 0.05 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.18 2aim h ASN 70 CO -0.13 0.93 0.44 0.00 -1.65 0.00 0.00 177.43 177.02 2aim h ALA 71 N 0.86 0.88 -0.58 -0.83 0.00 -0.64 0.97 119.26 119.92 2aim h ALA 71 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2aim h ALA 71 Cb 0.58 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2aim h ALA 71 CO 0.03 0.25 0.31 0.74 0.00 0.00 0.00 179.25 180.59 2aim h PHE 72 N 0.89 0.80 -0.05 0.00 0.04 -0.67 -1.39 116.94 116.56 2aim h PHE 72 Ca 0.26 -0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.86 2aim h PHE 72 Cb -0.05 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.83 2aim h PHE 72 CO -0.03 0.59 -0.65 0.93 -0.60 0.00 0.00 178.31 178.54 2aim h GLU 73 N 0.79 0.19 -0.36 1.51 4.39 -0.81 -2.69 114.58 117.59 2aim h GLU 73 Ca 0.20 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2aim h GLU 73 Cb 0.05 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2aim h GLU 73 CO -0.03 0.78 0.22 2.35 -1.16 0.00 0.00 179.01 181.17 2aim h TRP 74 N 0.14 0.48 -0.14 4.33 7.01 -0.54 0.26 115.95 127.49 2aim h TRP 74 Ca -0.01 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.03 2aim h TRP 74 Cb 1.17 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 28.03 2aim h TRP 74 CO 0.02 0.33 -0.17 0.82 -2.79 0.00 0.00 178.44 176.66 2aim h ILE 75 N 0.48 0.56 0.34 2.65 2.04 -0.95 0.27 117.51 122.89 2aim h ILE 75 Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 2aim h ILE 75 Cb -0.01 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2aim h ILE 75 CO -0.03 0.00 -0.16 0.58 0.00 0.00 0.00 178.15 178.54 2aim h VAL 76 N -0.21 0.00 -0.16 1.67 2.07 -1.30 0.61 116.25 118.93 2aim h VAL 76 Ca 0.10 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 2aim h VAL 76 Cb 0.35 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2aim h VAL 76 CO -0.26 0.00 -0.18 1.56 0.02 0.00 0.00 177.57 178.71 2aim h GLN 77 N -0.61 0.27 -0.46 1.57 1.08 -0.50 -3.15 115.11 113.31 2aim h GLN 77 Ca -0.05 -0.07 -0.25 0.00 -1.45 0.00 0.00 58.65 56.83 2aim h GLN 77 Cb 0.35 -0.03 -0.15 0.00 -0.05 0.00 0.00 27.48 27.60 2aim h GLN 77 CO 0.08 0.45 0.00 0.39 -0.95 0.00 0.00 178.83 178.80 2aim n GLU 78 N -4.22 1.96 -1.30 1.46 -0.58 0.94 -5.02 120.64 113.88 2aim n GLU 78 Ca -0.01 -3.22 0.04 0.00 -0.42 0.00 0.00 57.16 53.56 2aim n GLU 78 Cb 0.31 -1.89 0.07 0.00 -0.57 0.00 0.00 31.44 29.37 2aim n GLU 78 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2aim n ASN 78 N -1.11 1.27 0.00 1.62 4.13 -1.11 -5.01 115.26 115.05 2aim n ASN 78 Ca 0.38 -2.55 0.00 0.00 1.68 0.00 0.00 54.58 54.08 2aim n ASN 78 Cb 1.10 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.97 2aim n ASN 78 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aim n GLY 78 N -0.00 0.89 3.76 7.41 0.00 0.19 -4.96 105.19 112.48 2aim n GLY 78 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2aim n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aim s ALA 79 N -3.47 3.34 -0.11 4.61 0.00 -1.26 -1.73 121.76 123.14 2aim s ALA 79 Ca 0.00 0.70 -0.00 0.00 0.00 0.00 0.00 51.96 52.66 2aim s ALA 79 Cb 0.00 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.90 2aim s ALA 79 CO 0.00 0.09 -0.08 0.08 0.00 0.00 0.00 175.76 175.84 2aim s VAL 80 N -1.22 1.07 0.61 0.00 1.01 0.66 -4.91 120.40 117.62 2aim s VAL 80 Ca 0.43 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 2aim s VAL 80 Cb -0.27 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2aim s VAL 80 CO 0.34 0.37 1.03 -0.31 0.00 0.00 0.00 175.10 176.53 2aim s TYR 81 N 1.59 3.46 0.41 5.22 2.02 -1.26 -0.13 117.35 128.66 2aim s TYR 81 Ca 0.03 1.37 -0.24 0.00 -0.37 0.00 0.00 57.07 57.86 2aim s TYR 81 Cb -0.13 -2.78 -0.09 0.00 -0.40 0.00 0.00 41.96 38.56 2aim s TYR 81 CO -0.07 -0.74 1.07 0.95 -1.57 0.00 0.00 175.55 175.19 2aim s THR 82 N -2.99 3.61 0.37 -0.71 -4.23 -0.78 -1.17 115.64 109.74 2aim s THR 82 Ca 0.57 1.23 0.06 0.00 -1.18 0.00 0.00 61.69 62.36 2aim s THR 82 Cb -0.12 -3.63 0.28 0.00 1.34 0.00 0.00 72.50 70.38 2aim s THR 82 CO 0.48 0.00 1.99 -0.08 -0.54 0.00 0.00 174.62 176.47 2aim h GLU 83 N 2.43 0.70 -0.53 3.99 4.81 -1.47 -0.67 114.58 123.84 2aim h GLU 83 Ca -0.48 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 2aim h GLU 83 Cb 1.22 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2aim h GLU 83 CO 0.62 0.47 0.16 -0.44 -0.73 0.00 0.00 179.01 179.08 2aim h ASP 84 N 0.72 0.72 0.48 1.04 5.19 -1.92 0.92 116.42 123.58 2aim h ASP 84 Ca 0.27 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2aim h ASP 84 Cb 0.14 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.47 2aim h ASP 84 CO -0.08 0.69 -1.01 -1.54 -3.12 0.00 0.00 179.24 174.18 2aim n SER 85 N -4.30 0.62 -3.28 6.45 3.41 -0.83 -4.42 113.62 111.26 2aim n SER 85 Ca 0.04 -0.16 -0.25 0.00 -0.26 0.00 0.00 58.87 58.23 2aim n SER 85 Cb 0.20 0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 64.82 2aim n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aim n TYR 86 N -2.00 -0.52 -1.71 7.33 4.19 -0.32 -4.56 117.16 119.57 2aim n TYR 86 Ca 0.02 -3.47 -0.35 0.00 3.31 0.00 0.00 57.90 57.41 2aim n TYR 86 Cb 0.44 -0.11 0.06 0.00 0.49 0.00 0.00 39.34 40.23 2aim n TYR 86 CO 0.00 0.00 0.00 -2.14 0.91 0.00 0.00 176.86 175.63 2aim s PRO 87 N -0.71 2.55 0.01 2.98 0.02 0.26 -4.55 135.00 135.57 2aim s PRO 87 Ca 0.34 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 62.86 2aim s PRO 87 Cb 0.12 -1.88 -0.07 0.00 0.02 0.00 0.00 34.50 32.69 2aim s PRO 87 CO -0.14 -1.53 1.68 -0.47 -0.33 0.00 0.00 177.00 176.20 2aim s TYR 88 N -1.78 2.13 -0.35 6.54 5.04 -1.26 -4.83 117.35 122.83 2aim s TYR 88 Ca 0.76 0.21 0.03 0.00 -2.44 0.00 0.00 57.07 55.63 2aim s TYR 88 Cb -0.30 -3.96 0.01 0.00 0.35 0.00 0.00 41.96 38.06 2aim s TYR 88 CO 0.40 -3.98 0.46 0.00 -1.34 0.00 0.00 175.55 171.09 2aim n ALA 89 N 6.43 2.47 -1.93 3.97 0.00 -1.26 -4.99 120.51 125.19 2aim n ALA 89 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2aim n ALA 89 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.75 2aim n ALA 89 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2aim n SER 89 N -0.20 0.00 0.00 0.00 7.64 -1.26 -4.68 113.62 115.12 2aim n SER 89 Ca 0.02 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.45 2aim n SER 89 Cb 0.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2aim n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aim n GLY 89 N 5.00 3.35 0.18 0.23 0.00 -1.25 -4.71 105.19 107.99 2aim n GLY 89 Ca 0.00 -1.02 0.14 0.00 0.00 0.00 0.00 46.02 45.14 2aim n GLY 89 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2aim h GLU 89 N 0.00 0.00 0.00 1.61 4.39 -1.89 0.11 114.58 118.80 2aim h GLU 89 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2aim h GLU 89 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2aim h GLU 89 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2aim n GLY 90 N 0.53 1.29 3.32 -3.84 0.00 -1.26 -4.76 105.19 100.46 2aim n GLY 90 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2aim n GLY 90 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2aim s ILE 91 N -2.00 1.82 -0.34 -0.61 -4.36 -1.26 -4.78 121.20 109.67 2aim s ILE 91 Ca 0.00 -1.77 -0.08 0.00 -0.26 0.00 0.00 60.65 58.54 2aim s ILE 91 Cb 0.00 -1.75 0.03 0.00 1.25 0.00 0.00 42.46 41.99 2aim s ILE 91 CO 0.00 -0.19 0.13 -0.94 0.24 0.00 0.00 174.94 174.18 2aim s SER 92 N -2.35 5.42 0.64 4.36 1.04 -1.26 -4.06 113.70 117.50 2aim s SER 92 Ca 0.12 -1.00 -0.17 0.00 0.48 0.00 0.00 55.95 55.38 2aim s SER 92 Cb -0.08 -1.92 -0.06 0.00 0.10 0.00 0.00 66.02 64.06 2aim s SER 92 CO 0.06 -0.32 0.65 -0.81 0.98 0.00 0.00 173.24 173.80 2aim n PRO 93 N 4.89 0.52 -1.57 4.02 -0.04 -1.26 -4.96 135.00 136.60 2aim n PRO 93 Ca -0.13 0.21 -0.37 0.00 -0.04 0.00 0.00 63.50 63.17 2aim n PRO 93 Cb 0.46 -1.88 0.05 0.00 -0.04 0.00 0.00 33.50 32.10 2aim n PRO 93 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2aim n PRO 94 N -0.60 0.77 -1.84 0.54 -0.04 -1.26 -4.69 135.00 127.88 2aim n PRO 94 Ca 0.12 0.30 -0.42 0.00 -0.04 0.00 0.00 63.50 63.46 2aim n PRO 94 Cb 0.48 -2.10 -0.03 0.00 -0.04 0.00 0.00 33.50 31.82 2aim n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aim s THR 96 N 1.26 3.84 -1.13 0.00 -4.23 -1.26 -5.01 115.64 109.11 2aim s THR 96 Ca 0.73 -0.36 0.28 0.00 -1.18 0.00 0.00 61.69 61.16 2aim s THR 96 Cb -0.46 -2.72 0.23 0.00 1.34 0.00 0.00 72.50 70.88 2aim s THR 96 CO 0.32 0.45 1.78 0.35 -0.54 0.00 0.00 174.62 176.98 2aim n THR 97 N 4.10 0.00 -4.40 3.99 -2.24 -1.26 -4.91 114.28 109.56 2aim n THR 97 Ca -0.17 -0.01 -0.23 0.00 -2.27 0.00 0.00 64.05 61.37 2aim n THR 97 Cb 0.52 -0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 68.45 2aim n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2aim s SER 98 N -2.89 2.26 -0.21 3.42 1.04 -1.26 -4.86 113.70 111.20 2aim s SER 98 Ca 0.16 -1.73 -0.00 0.00 0.48 0.00 0.00 55.95 54.86 2aim s SER 98 Cb 0.19 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.87 2aim s SER 98 CO 0.56 -1.01 0.04 0.61 0.98 0.00 0.00 173.24 174.43 2aim n GLY 99 N -0.78 0.41 3.14 7.32 0.00 -1.26 -5.05 105.19 108.97 2aim n GLY 99 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 2aim n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aim s HIS 100 N -2.40 0.79 -0.01 1.61 4.02 -1.26 -4.82 115.29 113.22 2aim s HIS 100 Ca 0.02 -0.90 0.05 0.00 1.02 0.00 0.00 55.06 55.25 2aim s HIS 100 Cb -0.01 -0.48 -0.03 0.00 -1.02 0.00 0.00 32.58 31.05 2aim s HIS 100 CO 0.03 -0.19 -0.14 0.99 1.02 0.00 0.00 174.74 176.45 2aim s THR 101 N -3.44 3.07 -0.24 1.30 2.01 -1.26 -5.04 115.64 112.03 2aim s THR 101 Ca 0.08 -0.90 -0.27 0.00 0.31 0.00 0.00 61.69 60.91 2aim s THR 101 Cb 0.04 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.30 2aim s THR 101 CO -0.05 0.46 0.97 -0.69 -0.69 0.00 0.00 174.62 174.62 2aim s VAL 102 N -0.85 4.72 -0.11 3.82 1.01 -1.26 -1.86 120.40 125.88 2aim s VAL 102 Ca 0.14 1.85 0.21 0.00 0.00 0.00 0.00 61.98 64.17 2aim s VAL 102 Cb -0.11 -4.25 -0.24 0.00 0.00 0.00 0.00 36.38 31.78 2aim s VAL 102 CO 0.04 -0.17 0.53 0.61 0.00 0.00 0.00 175.10 176.10 2aim n GLY 103 N 3.51 -1.09 3.47 4.51 0.00 0.82 -4.83 105.19 111.58 2aim n GLY 103 Ca 0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 2aim n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aim s ALA 105 N -3.21 -1.71 0.01 4.61 0.00 -0.77 -4.97 121.76 115.71 2aim s ALA 105 Ca -0.07 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.71 2aim s ALA 105 Cb 0.11 0.59 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 2aim s ALA 105 CO 0.86 -0.70 -0.10 0.95 0.00 0.00 0.00 175.76 176.78 2aim s THR 106 N -3.27 0.74 0.22 0.00 -4.23 -1.26 -0.24 115.64 107.60 2aim s THR 106 Ca 0.02 -0.60 0.11 0.00 -1.18 0.00 0.00 61.69 60.05 2aim s THR 106 Cb -0.01 -0.66 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 2aim s THR 106 CO -0.10 0.07 -0.21 0.27 -0.54 0.00 0.00 174.62 174.11 2aim s ILE 107 N -0.50 2.49 -0.45 2.99 -4.36 -0.70 -4.68 121.20 115.99 2aim s ILE 107 Ca 0.01 -2.10 0.13 0.00 -0.26 0.00 0.00 60.65 58.43 2aim s ILE 107 Cb -0.05 -2.23 -0.17 0.00 1.25 0.00 0.00 42.46 41.26 2aim s ILE 107 CO 0.00 -0.20 0.49 0.35 0.24 0.00 0.00 174.94 175.82 2aim n THR 108 N -0.03 0.00 -2.56 8.37 -2.24 0.18 -4.57 114.28 113.42 2aim n THR 108 Ca -0.10 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2aim n THR 108 Cb 0.57 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 2aim n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aim n GLY 109 N 1.44 -0.57 3.41 3.38 0.00 -1.21 -5.01 105.19 106.62 2aim n GLY 109 Ca 0.01 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 2aim n GLY 109 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2aim s HIS 110 N -3.24 -0.45 0.16 1.61 -3.43 -1.26 -1.34 115.29 107.34 2aim s HIS 110 Ca 0.00 0.52 0.10 0.00 -0.80 0.00 0.00 55.06 54.88 2aim s HIS 110 Cb 0.00 0.36 -0.04 0.00 -1.43 0.00 0.00 32.58 31.47 2aim s HIS 110 CO 0.00 -0.65 -0.17 0.14 -2.00 0.00 0.00 174.74 172.06 2aim s VAL 111 N -2.41 2.79 -0.18 -5.38 -7.23 0.11 -4.91 120.40 103.20 2aim s VAL 111 Ca -0.05 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2aim s VAL 111 Cb -0.01 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 2aim s VAL 111 CO -0.01 -0.04 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.04 2aim s GLU 112 N -2.54 3.39 0.47 4.82 2.02 -1.26 -0.78 118.70 124.81 2aim s GLU 112 Ca 0.21 -0.65 -0.10 0.00 0.02 0.00 0.00 54.97 54.45 2aim s GLU 112 Cb -0.09 -2.83 -0.06 0.00 0.10 0.00 0.00 34.13 31.26 2aim s GLU 112 CO 0.12 0.00 0.84 -0.51 0.02 0.00 0.00 175.26 175.73 2aim s LEU 113 N 0.92 3.67 0.73 1.80 1.43 0.72 -4.97 118.68 122.98 2aim s LEU 113 Ca -0.02 1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 54.12 2aim s LEU 113 Cb -0.15 -4.12 0.04 0.00 0.03 0.00 0.00 46.19 42.00 2aim s LEU 113 CO 0.00 -0.53 1.19 -2.84 0.23 0.00 0.00 176.35 174.39 2aim s PRO 114 N -4.28 2.16 -1.41 1.29 0.02 -1.26 -4.54 135.00 126.98 2aim s PRO 114 Ca 0.52 1.68 -0.11 0.00 0.02 0.00 0.00 61.00 63.12 2aim s PRO 114 Cb -0.10 -1.84 0.07 0.00 0.02 0.00 0.00 34.50 32.65 2aim s PRO 114 CO 0.38 -1.80 2.24 1.04 -0.33 0.00 0.00 177.00 178.53 2aim n GLN 115 N -2.79 3.47 -3.65 5.54 6.02 -1.26 -4.64 117.38 120.07 2aim n GLN 115 Ca 0.13 -2.97 -0.05 0.00 -0.01 0.00 0.00 57.00 54.10 2aim n GLN 115 Cb 0.51 -3.00 -0.07 0.00 1.02 0.00 0.00 30.24 28.70 2aim n GLN 115 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2aim s ASP 116 N 1.86 -0.76 0.33 1.08 -1.08 -1.26 -4.91 116.67 111.94 2aim s ASP 116 Ca 0.49 1.32 0.04 0.00 -0.52 0.00 0.00 52.55 53.87 2aim s ASP 116 Cb 0.14 1.84 0.58 0.00 -1.46 0.00 0.00 42.92 44.01 2aim s ASP 116 CO -0.05 -0.22 1.88 -0.33 0.52 0.00 0.00 175.17 176.96 2aim h GLU 117 N 8.01 0.57 -0.33 4.34 5.08 -1.92 0.77 114.58 131.10 2aim h GLU 117 Ca -0.18 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 57.96 2aim h GLU 117 Cb 1.11 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2aim h GLU 117 CO 0.12 0.57 -0.23 0.00 -1.00 0.00 0.00 179.01 178.47 2aim h ALA 118 N 1.49 0.97 0.15 3.43 0.00 -1.97 -0.54 119.26 122.79 2aim h ALA 118 Ca 0.12 -0.36 -0.29 0.00 0.00 0.00 0.00 54.91 54.38 2aim h ALA 118 Cb 0.31 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2aim h ALA 118 CO 0.01 0.60 -1.32 1.96 0.00 0.00 0.00 179.25 180.50 2aim h GLN 119 N 0.57 0.32 -0.62 0.00 4.20 -1.79 -2.08 115.11 115.71 2aim h GLN 119 Ca 0.08 -0.54 -0.01 0.00 0.06 0.00 0.00 58.65 58.24 2aim h GLN 119 Cb 0.71 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 2aim h GLN 119 CO 0.05 1.25 0.35 0.82 -0.67 0.00 0.00 178.83 180.64 2aim h ILE 120 N 0.09 1.19 -0.69 2.54 2.04 -0.77 -2.43 117.51 119.48 2aim h ILE 120 Ca -0.17 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 2aim h ILE 120 Cb 2.01 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 2aim h ILE 120 CO 0.21 0.20 0.24 0.00 0.00 0.00 0.00 178.15 178.81 2aim h ALA 121 N 1.17 1.12 -0.76 1.87 0.00 -1.04 -1.22 119.26 120.40 2aim h ALA 121 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2aim h ALA 121 Cb 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2aim h ALA 121 CO -0.04 0.62 0.47 0.00 0.00 0.00 0.00 179.25 180.30 2aim h ALA 122 N 1.25 0.97 -0.05 0.00 0.00 -1.00 -1.20 119.26 119.23 2aim h ALA 122 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2aim h ALA 122 Cb 0.24 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2aim h ALA 122 CO -0.01 0.43 -0.07 2.35 0.00 0.00 0.00 179.25 181.94 2aim h TRP 123 N 1.04 0.16 -0.98 0.00 7.01 -1.24 -3.17 115.95 118.76 2aim h TRP 123 Ca 0.27 -0.05 0.13 0.00 2.11 0.00 0.00 58.89 61.35 2aim h TRP 123 Cb -0.05 -0.03 -0.09 0.00 -2.10 0.00 0.00 29.16 26.89 2aim h TRP 123 CO -0.01 0.63 0.61 1.25 -2.79 0.00 0.00 178.44 178.12 2aim h LEU 124 N -0.36 0.86 -1.43 0.65 6.46 -1.09 0.15 115.31 120.56 2aim h LEU 124 Ca 0.00 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.90 2aim h LEU 124 Cb 0.61 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 2aim h LEU 124 CO 0.02 0.43 0.46 0.00 -0.62 0.00 0.00 178.44 178.73 2aim h ALA 125 N 1.55 1.77 0.00 1.25 0.00 -1.19 -1.46 119.26 121.19 2aim h ALA 125 Ca 0.50 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.97 2aim h ALA 125 Cb 0.57 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2aim h ALA 125 CO -0.29 0.10 -2.40 0.28 0.00 0.00 0.00 179.25 176.94 2aim n VAL 126 N -4.48 1.53 0.39 0.00 0.31 -0.89 -4.73 118.33 110.46 2aim n VAL 126 Ca 0.11 -0.34 0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2aim n VAL 126 Cb 0.27 -1.92 0.05 0.00 -0.91 0.00 0.00 33.84 31.33 2aim n VAL 126 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2aim n ASN 127 N -4.27 0.68 0.00 4.52 4.13 0.47 -5.08 115.26 115.71 2aim n ASN 127 Ca -0.51 0.07 0.00 0.00 1.68 0.00 0.00 54.58 55.82 2aim n ASN 127 Cb 0.86 0.56 0.00 0.00 -1.54 0.00 0.00 39.78 39.66 2aim n ASN 127 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aim n GLY 128 N 1.29 -0.82 3.73 7.41 0.00 -0.55 -4.92 105.19 111.34 2aim n GLY 128 Ca 0.01 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 2aim n GLY 128 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2aim n PRO 129 N -0.22 2.14 -4.62 1.61 -0.02 -1.26 -4.26 135.00 128.37 2aim n PRO 129 Ca 0.00 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 61.93 2aim n PRO 129 Cb 0.00 -2.48 -0.12 0.00 -0.02 0.00 0.00 33.50 30.87 2aim n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2aim s VAL 130 N -1.17 2.86 -0.02 -1.45 1.01 -1.10 -4.87 120.40 115.65 2aim s VAL 130 Ca 0.59 -1.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 2aim s VAL 130 Cb -0.49 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 2aim s VAL 130 CO 0.59 0.33 0.56 0.00 0.00 0.00 0.00 175.10 176.57 2aim s ALA 131 N -0.95 3.51 0.07 5.51 0.00 0.03 -1.21 121.76 128.73 2aim s ALA 131 Ca 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.10 2aim s ALA 131 Cb -0.11 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 2aim s ALA 131 CO 0.06 0.18 -0.08 0.14 0.00 0.00 0.00 175.76 176.07 2aim s VAL 132 N -0.20 0.67 -0.06 0.00 -7.23 -0.85 -0.86 120.40 111.87 2aim s VAL 132 Ca 0.29 -1.52 -0.03 0.00 -1.81 0.00 0.00 61.98 58.91 2aim s VAL 132 Cb -0.18 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 2aim s VAL 132 CO 0.16 -0.61 0.09 0.00 -0.31 0.00 0.00 175.10 174.43 2aim s ALA 133 N -2.47 3.65 0.04 1.32 0.00 -1.15 -0.93 121.76 122.21 2aim s ALA 133 Ca 0.01 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.15 2aim s ALA 133 Cb -0.03 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 2aim s ALA 133 CO -0.02 0.65 0.08 0.08 0.00 0.00 0.00 175.76 176.55 2aim s VAL 134 N -1.09 0.15 -0.24 0.00 1.01 0.86 -4.47 120.40 116.61 2aim s VAL 134 Ca 0.19 -1.20 -0.23 0.00 0.00 0.00 0.00 61.98 60.73 2aim s VAL 134 Cb -0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 2aim s VAL 134 CO 0.09 -0.66 0.77 -0.62 0.00 0.00 0.00 175.10 174.68 2aim s ASP 135 N -2.29 6.77 -0.02 3.32 -1.08 0.25 -1.04 116.67 122.58 2aim s ASP 135 Ca -0.03 0.95 0.15 0.00 -0.52 0.00 0.00 52.55 53.10 2aim s ASP 135 Cb 0.00 -2.41 0.44 0.00 -1.46 0.00 0.00 42.92 39.49 2aim s ASP 135 CO -0.06 -0.47 1.37 0.00 0.52 0.00 0.00 175.17 176.53 2aim n ALA 136 N 5.89 2.33 -0.33 3.66 0.00 -1.26 -4.73 120.51 126.07 2aim n ALA 136 Ca 0.04 -1.28 0.22 0.00 0.00 0.00 0.00 53.44 52.42 2aim n ALA 136 Cb 0.48 -0.62 0.45 0.00 0.00 0.00 0.00 19.45 19.76 2aim n ALA 136 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2aim h SER 139 N 2.76 0.44 1.93 0.00 0.02 -1.90 -0.48 113.55 116.32 2aim h SER 139 Ca 0.00 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2aim h SER 139 Cb 0.89 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 2aim h SER 139 CO 0.03 -0.14 -0.07 0.28 -1.14 0.00 0.00 176.83 175.80 2aim h SER 140 N 0.31 0.00 0.51 3.07 0.02 -1.87 -3.38 113.55 112.21 2aim h SER 140 Ca 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.66 2aim h SER 140 Cb 1.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.13 2aim h SER 140 CO -0.61 0.02 0.00 0.79 -1.14 0.00 0.00 176.83 175.88 2aim n TRP 141 N -3.08 0.53 0.34 3.45 7.02 -0.19 -1.44 117.44 124.07 2aim n TRP 141 Ca 0.04 0.22 0.15 0.00 -1.02 0.00 0.00 57.50 56.89 2aim n TRP 141 Cb 0.54 -0.86 0.52 0.00 -2.42 0.00 0.00 31.31 29.09 2aim n TRP 141 CO 0.00 0.00 0.00 1.98 -2.02 0.00 0.00 177.69 177.65 2aim h MET 142 N 0.00 0.00 -0.45 -0.99 4.05 -1.75 -2.85 114.93 112.94 2aim h MET 142 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2aim h MET 142 Cb 0.25 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2aim h MET 142 CO 0.00 0.00 0.00 0.25 0.23 0.00 0.00 176.91 177.39 2aim n THR 143 N -2.79 1.73 -2.56 -0.77 -2.24 -0.52 -4.96 114.28 102.17 2aim n THR 143 Ca 0.02 -1.33 -0.43 0.00 -2.27 0.00 0.00 64.05 60.04 2aim n THR 143 Cb 0.34 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 2aim n THR 143 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2aim s TYR 144 N -1.88 3.15 -0.37 4.78 5.04 -1.08 -4.89 117.35 122.11 2aim s TYR 144 Ca 0.41 1.28 0.11 0.00 -2.44 0.00 0.00 57.07 56.43 2aim s TYR 144 Cb 0.27 -3.37 -0.14 0.00 0.35 0.00 0.00 41.96 39.08 2aim s TYR 144 CO 0.18 -1.00 0.40 0.25 -1.34 0.00 0.00 175.55 174.04 2aim n THR 145 N 5.23 0.00 0.00 4.34 -2.24 -1.26 -3.92 114.28 116.44 2aim n THR 145 Ca 0.12 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2aim n THR 145 Cb 0.46 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 2aim n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aim n GLY 146 N 1.44 2.19 0.00 3.38 0.00 -1.26 -4.66 105.19 106.28 2aim n GLY 146 Ca 0.01 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2aim n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aim n GLY 147 N -1.88 -0.77 3.67 -0.02 0.00 -1.26 -4.80 105.19 100.14 2aim n GLY 147 Ca 0.00 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 2aim n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aim s VAL 148 N -1.18 5.30 0.44 1.61 0.11 -1.26 -4.28 120.40 121.14 2aim s VAL 148 Ca 0.00 0.40 0.20 0.00 -2.93 0.00 0.00 61.98 59.64 2aim s VAL 148 Cb 0.00 -3.59 0.39 0.00 -1.53 0.00 0.00 36.38 31.65 2aim s VAL 148 CO 0.00 0.31 1.88 -0.03 -3.33 0.00 0.00 175.10 173.94 2aim h MET 149 N 7.40 0.31 0.00 1.54 4.05 -1.42 -3.47 114.93 123.35 2aim h MET 149 Ca -0.37 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 2aim h MET 149 Cb 1.17 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 2aim h MET 149 CO 0.69 0.21 0.00 0.25 0.23 0.00 0.00 176.91 178.28 2aim n THR 151 N -4.46 0.00 -3.71 -0.77 -2.24 -1.26 -4.76 114.28 97.08 2aim n THR 151 Ca 0.18 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.84 2aim n THR 151 Cb 0.70 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.80 2aim n THR 151 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2aim s SER 152 N -0.51 -0.33 -0.06 3.42 0.15 -1.26 -4.86 113.70 110.24 2aim s SER 152 Ca 0.00 0.68 -0.06 0.00 0.70 0.00 0.00 55.95 57.27 2aim s SER 152 Cb 0.00 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 64.91 2aim s SER 152 CO 0.00 -0.18 0.17 0.00 1.20 0.00 0.00 173.24 174.43 2aim s VAL 154 N 0.14 2.52 -0.48 0.00 1.01 -1.26 -4.35 120.40 117.98 2aim s VAL 154 Ca -0.00 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.17 2aim s VAL 154 Cb -0.02 -3.09 0.22 0.00 0.00 0.00 0.00 36.38 33.50 2aim s VAL 154 CO -0.00 0.00 0.52 -1.20 0.00 0.00 0.00 175.10 174.42 2aim n SER 155 N 5.23 1.05 0.00 3.32 7.64 -1.26 -4.29 113.62 125.31 2aim n SER 155 Ca 0.17 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.22 2aim n SER 155 Cb 0.38 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2aim n SER 155 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2aim n GLU 156 N 1.69 1.08 -3.73 1.43 1.02 -1.26 -4.89 120.64 115.98 2aim n GLU 156 Ca 0.25 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.25 2aim n GLU 156 Cb 0.47 -0.96 -0.15 0.00 -0.02 0.00 0.00 31.44 30.79 2aim n GLU 156 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2aim s GLN 156 N -1.91 0.07 -0.09 3.49 2.00 -1.26 -5.11 119.66 116.86 2aim s GLN 156 Ca 0.00 0.41 -0.30 0.00 -2.00 0.00 0.00 55.36 53.47 2aim s GLN 156 Cb 0.00 -0.20 -0.04 0.00 0.80 0.00 0.00 33.01 33.57 2aim s GLN 156 CO 0.00 -0.20 1.44 -0.51 -0.50 0.00 0.00 175.29 175.52 2aim s LEU 157 N 1.41 4.27 0.00 3.68 1.43 -1.26 -3.94 118.68 124.26 2aim s LEU 157 Ca -0.07 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 2aim s LEU 157 Cb -0.12 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2aim s LEU 157 CO -0.06 -0.81 0.09 -0.90 0.23 0.00 0.00 176.35 174.90 2aim n ASP 158 N 6.52 0.19 -3.89 2.29 5.68 -0.21 -4.90 116.55 122.23 2aim n ASP 158 Ca 0.15 -0.66 -0.11 0.00 -0.50 0.00 0.00 54.79 53.67 2aim n ASP 158 Cb 0.44 0.13 -0.11 0.00 -1.14 0.00 0.00 41.12 40.43 2aim n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 2aim s HIS 159 N -0.13 0.05 -0.15 2.11 5.04 -0.39 -4.92 115.29 116.91 2aim s HIS 159 Ca 0.00 -0.11 -0.03 0.00 -1.54 0.00 0.00 55.06 53.38 2aim s HIS 159 Cb 0.00 -0.06 -0.03 0.00 0.04 0.00 0.00 32.58 32.53 2aim s HIS 159 CO 0.00 -0.16 -0.04 0.20 -2.34 0.00 0.00 174.74 172.39 2aim s GLY 160 N -0.85 1.71 0.21 1.59 0.00 -1.26 -0.10 107.32 108.61 2aim s GLY 160 Ca -0.09 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 43.85 2aim s GLY 160 CO 0.00 -0.12 0.16 3.33 0.00 0.00 0.00 173.10 176.47 2aim n VAL 161 N 3.43 0.00 -4.37 1.40 0.24 -0.11 -4.43 118.33 114.50 2aim n VAL 161 Ca -0.17 -1.46 -0.33 0.00 -2.04 0.00 0.00 64.34 60.33 2aim n VAL 161 Cb 0.53 0.70 -0.16 0.00 -1.47 0.00 0.00 33.84 33.43 2aim n VAL 161 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2aim s LEU 162 N 0.00 2.17 -0.36 1.34 0.20 -1.07 -2.00 118.68 118.96 2aim s LEU 162 Ca 0.22 -0.61 -0.26 0.00 0.69 0.00 0.00 54.13 54.17 2aim s LEU 162 Cb 0.01 -1.48 0.01 0.00 -0.43 0.00 0.00 46.19 44.30 2aim s LEU 162 CO 0.16 0.04 0.94 -0.76 -0.29 0.00 0.00 176.35 176.43 2aim s LEU 163 N 1.07 3.99 0.00 -0.68 1.43 -0.35 -0.66 118.68 123.47 2aim s LEU 163 Ca -0.01 0.63 0.17 0.00 -1.03 0.00 0.00 54.13 53.90 2aim s LEU 163 Cb -0.14 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 42.80 2aim s LEU 163 CO -0.07 -0.86 0.91 1.33 0.23 0.00 0.00 176.35 177.89 2aim n VAL 164 N 5.96 0.00 -2.65 -1.59 0.24 0.11 -2.70 118.33 117.70 2aim n VAL 164 Ca 0.08 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2aim n VAL 164 Cb 0.48 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 2aim n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aim n GLY 165 N 1.16 -1.37 3.56 7.63 0.00 -1.19 -1.20 105.19 113.78 2aim n GLY 165 Ca 0.07 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 2aim n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2aim s TYR 166 N -2.80 -0.33 -0.25 1.61 -0.85 -0.45 -1.24 117.35 113.04 2aim s TYR 166 Ca 0.00 0.13 -0.02 0.00 -0.52 0.00 0.00 57.07 56.66 2aim s TYR 166 Cb 0.00 0.57 0.13 0.00 0.38 0.00 0.00 41.96 43.05 2aim s TYR 166 CO 0.00 -0.70 0.36 1.21 -1.52 0.00 0.00 175.55 174.90 2aim s ASN 167 N -2.65 0.51 0.00 -0.18 3.84 -0.29 -1.26 114.94 114.91 2aim s ASN 167 Ca 0.06 -0.01 0.27 0.00 0.21 0.00 0.00 52.86 53.40 2aim s ASN 167 Cb -0.01 0.99 0.91 0.00 -0.55 0.00 0.00 41.25 42.58 2aim s ASN 167 CO -0.07 -0.32 1.66 0.47 -2.79 0.00 0.00 177.10 176.06 2aim n ASP 167 N 5.35 1.63 -2.74 -4.21 8.00 0.83 -1.33 116.55 124.08 2aim n ASP 167 Ca -0.03 -1.49 -0.29 0.00 0.71 0.00 0.00 54.79 53.68 2aim n ASP 167 Cb 0.50 0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.56 2aim n ASP 167 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2aim n SER 167 N 0.22 6.87 0.01 -2.24 7.64 -1.23 -4.69 113.62 120.19 2aim n SER 167 Ca 0.18 -3.05 -0.21 0.00 1.01 0.00 0.00 58.87 56.80 2aim n SER 167 Cb 0.38 -1.31 -0.14 0.00 -1.01 0.00 0.00 64.21 62.13 2aim n SER 167 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aim h ALA 167 N 3.55 0.09 -3.47 -0.43 0.00 -2.06 -3.48 119.26 113.46 2aim h ALA 167 Ca 0.48 -0.94 -0.67 0.00 0.00 0.00 0.00 54.91 53.78 2aim h ALA 167 Cb 0.69 0.35 -0.36 0.00 0.00 0.00 0.00 17.79 18.48 2aim h ALA 167 CO 1.00 0.63 -0.82 0.08 0.00 0.00 0.00 179.25 180.14 2aim s VAL 168 N -2.44 2.18 0.42 0.00 1.01 -1.26 -5.11 120.40 115.21 2aim s VAL 168 Ca -0.19 -1.29 -0.23 0.00 0.00 0.00 0.00 61.98 60.28 2aim s VAL 168 Cb 0.03 -2.11 -0.11 0.00 0.00 0.00 0.00 36.38 34.19 2aim s VAL 168 CO 0.77 0.24 0.82 -0.81 0.00 0.00 0.00 175.10 176.11 2aim n PRO 169 N 4.53 0.99 -4.07 2.72 -0.04 -1.26 -4.90 135.00 132.97 2aim n PRO 169 Ca -0.17 0.36 -0.10 0.00 -0.04 0.00 0.00 63.50 63.54 2aim n PRO 169 Cb 0.46 -1.81 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 2aim n PRO 169 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2aim s TYR 170 N -1.36 0.68 0.04 0.54 -0.85 -0.45 -1.08 117.35 114.87 2aim s TYR 170 Ca 0.64 -1.02 -0.01 0.00 -0.52 0.00 0.00 57.07 56.16 2aim s TYR 170 Cb -0.58 -0.26 -0.04 0.00 0.38 0.00 0.00 41.96 41.46 2aim s TYR 170 CO 0.57 -0.66 0.19 -1.58 -1.52 0.00 0.00 175.55 172.54 2aim s TRP 171 N -4.03 3.50 -0.18 -3.49 0.52 -0.10 -1.13 118.94 114.03 2aim s TRP 171 Ca 0.24 0.27 0.00 0.00 0.02 0.00 0.00 56.10 56.63 2aim s TRP 171 Cb 0.05 -1.77 0.01 0.00 -1.15 0.00 0.00 33.47 30.61 2aim s TRP 171 CO 0.03 0.60 -0.17 -1.50 0.02 0.00 0.00 176.95 175.94 2aim s ILE 172 N -1.43 2.37 -0.14 2.03 1.10 -0.37 -2.29 121.20 122.47 2aim s ILE 172 Ca 0.32 -0.84 -0.00 0.00 -0.51 0.00 0.00 60.65 59.61 2aim s ILE 172 Cb -0.13 -2.01 -0.01 0.00 0.15 0.00 0.00 42.46 40.46 2aim s ILE 172 CO 0.24 0.52 -0.13 -0.63 -2.11 0.00 0.00 174.94 172.82 2aim s ILE 173 N 1.22 2.94 -0.17 2.00 1.01 -0.05 -0.71 121.20 127.43 2aim s ILE 173 Ca 0.03 -0.69 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 2aim s ILE 173 Cb -0.14 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 2aim s ILE 173 CO -0.09 0.52 0.85 -0.75 0.00 0.00 0.00 174.94 175.47 2aim s LYS 174 N 0.54 4.29 0.44 2.79 2.20 0.16 -1.48 119.74 128.69 2aim s LYS 174 Ca -0.09 1.05 0.07 0.00 -0.36 0.00 0.00 55.97 56.64 2aim s LYS 174 Cb -0.16 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.56 2aim s LYS 174 CO 0.04 -0.36 0.33 1.21 -0.36 0.00 0.00 175.35 176.21 2aim s ASN 175 N 1.17 4.78 -0.41 1.43 2.47 -1.07 -2.61 114.94 120.70 2aim s ASN 175 Ca 0.39 -0.94 0.05 0.00 0.42 0.00 0.00 52.86 52.78 2aim s ASN 175 Cb -0.16 -0.34 0.43 0.00 -1.45 0.00 0.00 41.25 39.72 2aim s ASN 175 CO 0.12 -0.71 1.18 -1.54 -3.72 0.00 0.00 177.10 172.42 2aim n SER 176 N -1.50 4.91 -2.23 -4.21 3.41 -1.26 -4.53 113.62 108.21 2aim n SER 176 Ca 0.01 -3.73 -0.23 0.00 -0.26 0.00 0.00 58.87 54.66 2aim n SER 176 Cb 0.63 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 64.15 2aim n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2aim n TRP 177 N -0.56 2.79 -1.35 7.33 8.01 -1.23 -1.35 117.44 131.08 2aim n TRP 177 Ca 0.41 -2.50 0.18 0.00 -1.31 0.00 0.00 57.50 54.29 2aim n TRP 177 Cb 0.74 -0.26 -0.05 0.00 -2.01 0.00 0.00 31.31 29.73 2aim n TRP 177 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2aim n THR 178 N -0.61 0.00 0.60 -0.99 -2.24 -0.98 -3.97 114.28 106.09 2aim n THR 178 Ca 0.39 0.11 0.13 0.00 -2.27 0.00 0.00 64.05 62.41 2aim n THR 178 Cb 0.86 -0.57 0.41 0.00 -2.10 0.00 0.00 70.33 68.94 2aim n THR 178 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2aim n THR 179 N -4.07 0.62 0.42 4.28 -2.24 -1.26 -3.60 114.28 108.43 2aim n THR 179 Ca -0.00 -0.23 0.12 0.00 -2.27 0.00 0.00 64.05 61.67 2aim n THR 179 Cb 0.62 -0.64 0.49 0.00 -2.10 0.00 0.00 70.33 68.69 2aim n THR 179 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2aim h GLN 180 N 0.00 0.00 -6.02 -0.78 1.08 -1.92 -2.41 115.11 105.06 2aim h GLN 180 Ca 0.00 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.58 2aim h GLN 180 Cb 0.70 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.07 2aim h GLN 180 CO 0.00 0.00 -0.54 -0.46 -0.95 0.00 0.00 178.83 176.88 2aim s TRP 181 N -3.31 3.39 0.00 2.96 -0.00 -1.24 -4.94 118.94 115.81 2aim s TRP 181 Ca 0.05 0.18 0.00 0.00 -0.00 0.00 0.00 56.10 56.33 2aim s TRP 181 Cb 0.10 -1.70 0.00 0.00 -0.00 0.00 0.00 33.47 31.86 2aim s TRP 181 CO 0.44 0.56 0.00 0.41 -0.00 0.00 0.00 176.95 178.36 2aim n GLY 182 N 0.31 0.99 3.51 5.86 0.00 -1.25 0.19 105.19 114.81 2aim n GLY 182 Ca -0.06 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 2aim n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aim s GLU 183 N 0.00 3.85 -1.25 1.61 2.02 0.29 -4.34 118.70 120.88 2aim s GLU 183 Ca 0.00 -1.94 -0.06 0.00 0.02 0.00 0.00 54.97 52.99 2aim s GLU 183 Cb 0.00 -5.21 -0.01 0.00 0.10 0.00 0.00 34.13 29.01 2aim s GLU 183 CO 0.00 -1.99 0.71 0.39 0.02 0.00 0.00 175.26 174.40 2aim n GLU 184 N 7.23 -3.46 0.00 1.61 -0.58 -1.24 -1.50 120.64 122.71 2aim n GLU 184 Ca 0.36 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.68 2aim n GLU 184 Cb 0.47 -4.89 0.00 0.00 -0.57 0.00 0.00 31.44 26.45 2aim n GLU 184 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2aim n GLY 185 N -1.62 2.83 3.97 0.62 0.00 0.13 -4.73 105.19 106.39 2aim n GLY 185 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 2aim n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aim s TYR 186 N -2.56 3.45 0.01 1.61 1.51 -0.56 -2.59 117.35 118.22 2aim s TYR 186 Ca 0.00 -0.01 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 2aim s TYR 186 Cb 0.00 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 2aim s TYR 186 CO 0.00 0.43 -0.06 -1.50 -1.11 0.00 0.00 175.55 173.31 2aim s ILE 187 N -1.99 0.41 -0.14 2.71 2.07 -0.55 -0.55 121.20 123.16 2aim s ILE 187 Ca 0.34 -0.54 0.02 0.00 -1.41 0.00 0.00 60.65 59.06 2aim s ILE 187 Cb -0.09 -0.41 0.01 0.00 0.13 0.00 0.00 42.46 42.09 2aim s ILE 187 CO 0.29 -0.09 -0.20 -0.13 -1.91 0.00 0.00 174.94 172.90 2aim s ARG 188 N -0.69 3.07 0.16 3.50 0.52 -1.26 -0.87 118.95 123.39 2aim s ARG 188 Ca -0.03 -0.83 0.08 0.00 -0.52 0.00 0.00 55.73 54.43 2aim s ARG 188 Cb -0.05 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 2aim s ARG 188 CO -0.00 -0.01 -0.18 0.96 0.02 0.00 0.00 175.30 176.09 2aim s ILE 189 N 0.82 1.79 0.27 1.52 -4.36 -0.97 -1.09 121.20 119.18 2aim s ILE 189 Ca -0.07 -1.88 -0.30 0.00 -0.26 0.00 0.00 60.65 58.14 2aim s ILE 189 Cb -0.15 -1.81 -0.11 0.00 1.25 0.00 0.00 42.46 41.64 2aim s ILE 189 CO -0.01 -0.30 1.50 0.00 0.24 0.00 0.00 174.94 176.36 2aim s ALA 190 N -1.99 3.67 -0.10 2.27 0.00 -1.26 -0.92 121.76 123.43 2aim s ALA 190 Ca 0.15 1.43 -0.06 0.00 0.00 0.00 0.00 51.96 53.47 2aim s ALA 190 Cb -0.06 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2aim s ALA 190 CO 0.06 -0.84 0.15 0.21 0.00 0.00 0.00 175.76 175.35 2aim s LYS 191 N -0.46 3.45 0.00 0.00 2.20 -0.24 -4.44 119.74 120.25 2aim s LYS 191 Ca 0.61 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 2aim s LYS 191 Cb -0.44 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 2aim s LYS 191 CO 0.45 0.76 0.00 0.41 -0.36 0.00 0.00 175.35 176.61 2aim n GLY 192 N 1.79 0.78 0.79 5.54 0.00 -1.26 -4.79 105.19 108.04 2aim n GLY 192 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.87 2aim n GLY 192 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aim n SER 193 N 0.00 0.70 -3.97 1.61 3.41 -1.26 -5.01 113.62 109.09 2aim n SER 193 Ca 0.00 -2.25 -0.31 0.00 -0.26 0.00 0.00 58.87 56.05 2aim n SER 193 Cb 0.00 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.66 2aim n SER 193 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2aim n ASN 198 N -0.06 -1.82 -4.71 4.04 5.15 -1.26 -4.87 115.26 111.72 2aim n ASN 198 Ca 0.05 -1.10 -0.42 0.00 -0.60 0.00 0.00 54.58 52.51 2aim n ASN 198 Cb 0.84 -2.67 -0.03 0.00 -0.53 0.00 0.00 39.78 37.39 2aim n ASN 198 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2aim s GLN 199 N -6.70 4.37 -2.15 1.20 -1.52 -1.26 -1.83 119.66 111.77 2aim s GLN 199 Ca 0.19 1.92 0.00 0.00 -1.95 0.00 0.00 55.36 55.51 2aim s GLN 199 Cb -0.08 -3.33 0.00 0.00 -0.22 0.00 0.00 33.01 29.38 2aim s GLN 199 CO 0.91 -0.37 0.00 0.00 -0.25 0.00 0.00 175.29 175.59 2aim n LEU 201 N -2.38 -3.55 0.30 0.00 4.77 -0.76 -0.58 117.00 114.80 2aim n LEU 201 Ca -0.21 -0.56 0.18 0.00 -0.03 0.00 0.00 56.01 55.39 2aim n LEU 201 Cb 0.68 -3.06 0.94 0.00 -2.33 0.00 0.00 43.42 39.65 2aim n LEU 201 CO 0.31 0.60 1.09 1.62 -1.33 0.00 0.00 177.39 179.67 2aim h VAL 202 N -2.54 0.25 -0.00 4.08 3.04 -1.53 -2.65 116.25 116.90 2aim h VAL 202 Ca -0.57 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 2aim h VAL 202 Cb 1.36 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 2aim h VAL 202 CO 0.55 0.03 -0.50 2.29 -1.01 0.00 0.00 177.57 178.93 2aim n LYS 203 N -3.37 0.19 -0.15 4.17 2.85 -1.26 -4.57 118.16 116.02 2aim n LYS 203 Ca -0.02 -0.12 -0.11 0.00 -1.05 0.00 0.00 58.31 57.01 2aim n LYS 203 Cb 0.16 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.03 2aim n LYS 203 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2aim h GLU 204 N 0.29 0.86 -2.47 -1.58 4.39 -1.75 -3.37 114.58 110.96 2aim h GLU 204 Ca 0.00 -0.33 -0.59 0.00 0.34 0.00 0.00 59.36 58.77 2aim h GLU 204 Cb 0.51 -0.05 -0.39 0.00 -0.10 0.00 0.00 28.75 28.72 2aim h GLU 204 CO 0.00 0.97 -0.90 0.39 -1.16 0.00 0.00 179.01 178.31 2aim n GLU 205 N -4.27 0.59 -3.99 2.33 1.02 -1.26 -4.84 120.64 110.22 2aim n GLU 205 Ca -0.00 -3.46 -0.35 0.00 -0.02 0.00 0.00 57.16 53.33 2aim n GLU 205 Cb 0.38 -1.77 -0.11 0.00 -0.02 0.00 0.00 31.44 29.93 2aim n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2aim s ALA 206 N -0.38 3.32 0.26 0.62 0.00 -1.26 -2.94 121.76 121.38 2aim s ALA 206 Ca 0.32 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.37 2aim s ALA 206 Cb 0.04 -1.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 2aim s ALA 206 CO -0.18 0.04 0.40 -1.54 0.00 0.00 0.00 175.76 174.47 2aim s SER 207 N 0.64 0.23 -0.08 0.00 1.04 -0.04 -0.20 113.70 115.29 2aim s SER 207 Ca 0.03 -1.18 -0.20 0.00 0.48 0.00 0.00 55.95 55.08 2aim s SER 207 Cb -0.13 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.59 2aim s SER 207 CO 0.02 -1.12 0.47 -0.55 0.98 0.00 0.00 173.24 173.04 2aim s SER 208 N -3.11 -0.43 0.49 7.02 0.15 0.04 -0.79 113.70 117.07 2aim s SER 208 Ca 0.28 0.56 -0.19 0.00 0.70 0.00 0.00 55.95 57.30 2aim s SER 208 Cb 0.01 0.61 -0.08 0.00 -1.71 0.00 0.00 66.02 64.85 2aim s SER 208 CO 0.13 -0.40 1.01 0.00 1.20 0.00 0.00 173.24 175.18 2aim s ALA 209 N -0.76 2.92 -0.13 5.45 0.00 -1.26 -0.71 121.76 127.27 2aim s ALA 209 Ca -0.08 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2aim s ALA 209 Cb -0.03 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 2aim s ALA 209 CO 0.05 -0.26 -0.14 0.08 0.00 0.00 0.00 175.76 175.49 2aim s VAL 210 N -2.19 3.01 0.01 0.00 1.01 -0.45 -4.84 120.40 116.95 2aim s VAL 210 Ca 0.64 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2aim s VAL 210 Cb -0.14 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2aim s VAL 210 CO 0.22 0.53 -0.10 0.68 0.00 0.00 0.00 175.10 176.43 2aim s VAL 211 N 0.32 3.41 0.00 2.92 -7.23 -1.26 -0.65 120.40 117.90 2aim s VAL 211 Ca -0.11 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 2aim s VAL 211 Cb -0.16 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2aim s VAL 211 CO 0.06 0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.83