#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2frm s ILE 18 N 0.00 1.73 0.07 1.12 1.01 -1.26 -5.12 121.20 118.75 2frm s ILE 18 Ca 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.81 2frm s ILE 18 Cb 0.00 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 2frm s ILE 18 CO 0.00 0.49 -0.14 -1.61 0.00 0.00 0.00 174.94 173.67 2frm s GLU 19 N -0.08 0.85 0.52 2.79 0.41 -1.26 -5.12 118.70 116.80 2frm s GLU 19 Ca -0.03 -0.94 -0.22 0.00 -0.41 0.00 0.00 54.97 53.37 2frm s GLU 19 Cb -0.12 -0.87 -0.06 0.00 -1.78 0.00 0.00 34.13 31.30 2frm s GLU 19 CO 0.03 0.20 1.25 1.03 -0.49 0.00 0.00 175.26 177.27 2frm s ARG 20 N -1.67 3.36 0.70 1.61 0.52 -1.26 -4.97 118.95 117.25 2frm s ARG 20 Ca -0.01 1.97 -0.14 0.00 -0.52 0.00 0.00 55.73 57.02 2frm s ARG 20 Cb -0.10 -2.26 0.02 0.00 0.52 0.00 0.00 34.95 33.14 2frm s ARG 20 CO 0.02 -0.93 1.12 1.03 0.02 0.00 0.00 175.30 176.56 2frm s ARG 21 N -2.90 2.54 -0.02 3.54 1.81 -1.26 -4.88 118.95 117.77 2frm s ARG 21 Ca 0.69 1.41 0.01 0.00 -1.72 0.00 0.00 55.73 56.12 2frm s ARG 21 Cb -0.34 -1.92 0.02 0.00 -0.45 0.00 0.00 34.95 32.27 2frm s ARG 21 CO 0.39 -1.46 -0.02 0.21 -0.68 0.00 0.00 175.30 173.75 2frm s LYS 22 N -4.24 0.36 -0.10 3.54 2.20 -1.26 -1.32 119.74 118.92 2frm s LYS 22 Ca 0.67 -0.01 0.02 0.00 -0.36 0.00 0.00 55.97 56.29 2frm s LYS 22 Cb -0.21 -0.46 0.01 0.00 -1.51 0.00 0.00 37.83 35.66 2frm s LYS 22 CO 0.45 -0.06 -0.15 0.42 -0.36 0.00 0.00 175.35 175.65 2frm s ILE 23 N 0.66 1.49 -0.21 5.43 1.01 -0.43 -0.71 121.20 128.43 2frm s ILE 23 Ca -0.07 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 2frm s ILE 23 Cb -0.10 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 2frm s ILE 23 CO -0.01 0.44 0.09 0.00 0.00 0.00 0.00 174.94 175.46 2frm s ALA 24 N 0.91 3.39 -0.27 9.38 0.00 0.80 -1.73 121.76 134.24 2frm s ALA 24 Ca -0.08 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 2frm s ALA 24 Cb -0.15 -2.06 -0.00 0.00 0.00 0.00 0.00 23.12 20.90 2frm s ALA 24 CO -0.00 -0.09 0.04 0.08 0.00 0.00 0.00 175.76 175.79 2frm s VAL 25 N 0.87 3.82 -0.43 0.00 1.01 -0.43 0.09 120.40 125.33 2frm s VAL 25 Ca 0.05 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 2frm s VAL 25 Cb -0.13 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.39 2frm s VAL 25 CO 0.03 0.22 0.48 -0.63 0.00 0.00 0.00 175.10 175.20 2frm s ILE 26 N 1.51 5.03 0.00 2.22 -1.09 0.77 -0.83 121.20 128.81 2frm s ILE 26 Ca 0.04 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.16 2frm s ILE 26 Cb -0.16 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2frm s ILE 26 CO 0.01 -0.48 0.00 0.61 -1.23 0.00 0.00 174.94 173.85 2frm n GLY 27 N 5.10 2.35 1.92 6.18 0.00 0.10 -0.15 105.19 120.70 2frm n GLY 27 Ca -0.06 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.76 2frm n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2frm n SER 28 N 0.00 3.67 -3.24 1.61 3.41 -1.24 -4.16 113.62 113.68 2frm n SER 28 Ca 0.00 -3.21 0.00 0.00 -0.26 0.00 0.00 58.87 55.40 2frm n SER 28 Cb 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 2frm n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2frm n GLY 29 N -0.72 -0.71 0.26 5.00 0.00 -1.26 -4.55 105.19 103.22 2frm n GLY 29 Ca 0.45 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 2frm n GLY 29 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2frm h GLN 30 N 0.00 0.92 -0.17 1.61 4.20 -1.99 -1.81 115.11 117.87 2frm h GLN 30 Ca 0.00 -0.46 -0.10 0.00 0.06 0.00 0.00 58.65 58.15 2frm h GLN 30 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2frm h GLN 30 CO 0.00 1.12 -0.26 0.82 -0.67 0.00 0.00 178.83 179.83 2frm h ILE 31 N 0.74 1.35 -0.56 2.54 2.04 -1.92 -3.03 117.51 118.67 2frm h ILE 31 Ca 0.07 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 2frm h ILE 31 Cb 0.91 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.86 2frm h ILE 31 CO 0.08 0.45 0.31 1.23 0.00 0.00 0.00 178.15 180.22 2frm h GLY 32 N 0.13 0.83 0.86 5.37 0.00 -1.72 -1.40 103.07 107.15 2frm h GLY 32 Ca 0.02 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 46.99 2frm h GLY 32 CO 0.06 0.36 0.09 -1.33 0.00 0.00 0.00 176.54 175.72 2frm h GLY 33 N 0.75 0.27 1.40 4.60 0.00 -1.38 -1.71 103.07 107.00 2frm h GLY 33 Ca 0.20 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 2frm h GLY 33 CO -0.03 0.04 0.00 3.43 0.00 0.00 0.00 176.54 179.99 2frm h ASN 35 N 0.20 0.70 -0.11 0.19 -0.26 -1.40 -0.56 115.58 114.34 2frm h ASN 35 Ca 0.09 -0.16 0.01 0.00 -0.56 0.00 0.00 56.30 55.68 2frm h ASN 35 Cb 0.04 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 2frm h ASN 35 CO -0.08 0.77 0.06 0.40 -1.06 0.00 0.00 177.43 177.52 2frm h ILE 36 N 0.69 1.00 -0.44 2.81 2.04 -0.93 0.11 117.51 122.80 2frm h ILE 36 Ca 0.14 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.98 2frm h ILE 36 Cb 0.42 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2frm h ILE 36 CO 0.02 0.02 0.24 0.00 0.00 0.00 0.00 178.15 178.43 2frm h ALA 37 N 1.05 0.56 0.17 1.87 0.00 -0.92 0.47 119.26 122.46 2frm h ALA 37 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2frm h ALA 37 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2frm h ALA 37 CO -0.03 -0.10 -0.29 -0.92 0.00 0.00 0.00 179.25 177.91 2frm h TYR 38 N 0.48 -0.79 -0.18 0.00 3.20 -0.68 -0.54 116.97 118.46 2frm h TYR 38 Ca 0.18 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2frm h TYR 38 Cb 0.06 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2frm h TYR 38 CO -0.09 -0.41 0.08 0.82 -1.64 0.00 0.00 178.16 176.93 2frm h ILE 39 N -0.54 1.14 -0.40 1.81 1.08 -0.49 0.67 117.51 120.77 2frm h ILE 39 Ca 0.02 -0.41 0.06 0.00 -0.39 0.00 0.00 64.86 64.14 2frm h ILE 39 Cb 0.55 1.08 -0.05 0.00 -3.07 0.00 0.00 36.82 35.32 2frm h ILE 39 CO -0.14 0.13 0.08 0.58 -0.69 0.00 0.00 178.15 178.11 2frm h VAL 40 N 0.16 0.79 0.08 1.67 2.07 -0.83 -0.71 116.25 119.47 2frm h VAL 40 Ca 0.06 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2frm h VAL 40 Cb 0.14 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2frm h VAL 40 CO -0.01 0.04 -0.04 1.23 0.02 0.00 0.00 177.57 178.81 2frm h GLY 41 N 0.20 -0.11 0.49 2.17 0.00 -0.88 -1.19 103.07 103.75 2frm h GLY 41 Ca 0.19 0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.67 2frm h GLY 41 CO -0.26 -0.04 0.52 1.70 0.00 0.00 0.00 176.54 178.46 2frm h LYS 42 N -0.12 0.82 -0.00 4.80 3.64 -0.31 -0.29 116.57 125.11 2frm h LYS 42 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2frm h LYS 42 Cb 0.10 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2frm h LYS 42 CO 0.02 0.54 -0.06 -0.25 -2.27 0.00 0.00 179.45 177.43 2frm n ASP 43 N -4.71 0.15 -3.27 4.20 8.00 -0.32 -4.78 116.55 115.82 2frm n ASP 43 Ca 0.15 -0.09 -0.24 0.00 0.71 0.00 0.00 54.79 55.32 2frm n ASP 43 Cb 0.31 -0.25 0.04 0.00 -0.02 0.00 0.00 41.12 41.20 2frm n ASP 43 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2frm n ASN 44 N -1.28 -5.76 0.12 -2.24 5.15 -0.12 -4.87 115.26 106.26 2frm n ASN 44 Ca 0.12 -0.40 -0.02 0.00 -0.60 0.00 0.00 54.58 53.68 2frm n ASN 44 Cb 0.28 -4.63 0.19 0.00 -0.53 0.00 0.00 39.78 35.09 2frm n ASN 44 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2frm h LEU 45 N -1.68 0.13 -7.59 1.20 5.85 -1.52 -3.48 115.31 108.22 2frm h LEU 45 Ca -0.53 -0.07 0.36 0.00 0.84 0.00 0.00 57.88 58.49 2frm h LEU 45 Cb 1.36 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.26 2frm h LEU 45 CO 0.57 0.64 0.92 0.00 -0.34 0.00 0.00 178.44 180.24 2frm s ALA 46 N -3.84 -2.48 0.54 1.25 0.00 -1.26 -4.71 121.76 111.25 2frm s ALA 46 Ca -0.03 0.41 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 2frm s ALA 46 Cb 0.13 0.64 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 2frm s ALA 46 CO 0.77 -1.11 0.93 -0.51 0.00 0.00 0.00 175.76 175.83 2frm s ASP 47 N -3.47 6.33 -0.01 0.00 1.01 -0.43 -4.55 116.67 115.54 2frm s ASP 47 Ca 0.23 1.28 0.03 0.00 0.71 0.00 0.00 52.55 54.80 2frm s ASP 47 Cb 0.03 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.55 2frm s ASP 47 CO -0.03 -0.69 -0.10 -0.69 0.21 0.00 0.00 175.17 173.86 2frm s VAL 49 N -2.88 0.82 -0.24 -1.27 1.01 0.15 -1.32 120.40 116.67 2frm s VAL 49 Ca 0.53 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2frm s VAL 49 Cb -0.11 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.62 2frm s VAL 49 CO 0.45 0.24 -0.11 -0.69 0.00 0.00 0.00 175.10 174.99 2frm s VAL 50 N -0.18 2.38 -0.47 2.92 1.01 -0.71 -1.86 120.40 123.51 2frm s VAL 50 Ca 0.03 -1.29 -0.18 0.00 0.00 0.00 0.00 61.98 60.54 2frm s VAL 50 Cb -0.05 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.12 2frm s VAL 50 CO -0.00 0.17 0.54 -0.22 0.00 0.00 0.00 175.10 175.59 2frm s LEU 51 N 1.22 4.95 -0.10 3.92 0.20 0.69 -1.32 118.68 128.24 2frm s LEU 51 Ca -0.03 -0.81 -0.08 0.00 0.69 0.00 0.00 54.13 53.90 2frm s LEU 51 Cb -0.17 -2.43 -0.04 0.00 -0.43 0.00 0.00 46.19 43.11 2frm s LEU 51 CO -0.07 -0.75 0.18 0.12 -0.29 0.00 0.00 176.35 175.54 2frm s PHE 52 N 2.39 3.61 -0.21 5.38 5.36 -0.01 -0.53 117.98 133.97 2frm s PHE 52 Ca 0.14 0.58 -0.29 0.00 -0.96 0.00 0.00 56.93 56.40 2frm s PHE 52 Cb -0.18 -1.98 0.14 0.00 -0.34 0.00 0.00 43.02 40.66 2frm s PHE 52 CO 0.13 0.72 1.10 0.34 -1.46 0.00 0.00 175.22 176.05 2frm s ASP 53 N -1.10 -0.30 0.14 6.13 2.15 -0.56 0.03 116.67 123.16 2frm s ASP 53 Ca 0.17 0.39 -0.07 0.00 0.43 0.00 0.00 52.55 53.47 2frm s ASP 53 Cb -0.13 0.33 -0.05 0.00 -0.30 0.00 0.00 42.92 42.77 2frm s ASP 53 CO 0.06 -0.23 1.36 0.40 -0.17 0.00 0.00 175.17 176.59 2frm h ILE 54 N 2.67 1.33 -2.34 4.11 2.04 -1.90 -3.36 117.51 120.05 2frm h ILE 54 Ca -0.19 -2.07 -0.61 0.00 1.00 0.00 0.00 64.86 62.99 2frm h ILE 54 Cb 1.17 2.06 0.08 0.00 -0.74 0.00 0.00 36.82 39.40 2frm h ILE 54 CO 0.25 0.64 0.43 0.00 0.00 0.00 0.00 178.15 179.47 2frm n ALA 55 N -2.56 0.18 -2.45 1.87 0.00 -1.26 -4.91 120.51 111.39 2frm n ALA 55 Ca -0.06 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 2frm n ALA 55 Cb 0.73 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 2frm n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2frm s GLU 56 N -0.48 4.54 0.00 0.00 2.12 -1.26 -4.12 118.70 119.50 2frm s GLU 56 Ca 0.70 1.60 0.00 0.00 0.36 0.00 0.00 54.97 57.63 2frm s GLU 56 Cb -0.74 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.27 2frm s GLU 56 CO 0.52 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 2frm n GLY 57 N 2.79 1.17 0.38 -1.50 0.00 -1.26 -4.83 105.19 101.94 2frm n GLY 57 Ca 0.06 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2frm n GLY 57 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2frm h ILE 58 N 0.00 0.00 -0.79 -0.61 1.08 -1.98 0.42 117.51 115.63 2frm h ILE 58 Ca 0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 2frm h ILE 58 Cb 0.00 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.70 2frm h ILE 58 CO 0.00 0.00 0.52 1.55 -0.69 0.00 0.00 178.15 179.53 2frm h PRO 59 N -0.43 0.87 -0.24 2.37 0.13 -1.88 -2.12 132.00 130.70 2frm h PRO 59 Ca 0.03 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 64.96 2frm h PRO 59 Cb 0.53 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 2frm h PRO 59 CO -0.39 0.58 -0.47 -0.56 -0.23 0.00 0.00 178.00 176.93 2frm h GLN 60 N 0.90 0.64 0.08 0.86 -0.00 -1.60 -1.33 115.11 114.67 2frm h GLN 60 Ca 0.33 -0.37 -0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2frm h GLN 60 Cb 0.15 0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.66 2frm h GLN 60 CO -0.11 0.98 -0.04 0.78 -0.00 0.00 0.00 178.83 180.44 2frm h GLY 61 N 0.99 -0.11 1.31 0.06 0.00 0.34 -0.32 103.07 105.34 2frm h GLY 61 Ca 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2frm h GLY 61 CO 0.09 -0.04 0.24 0.50 0.00 0.00 0.00 176.54 177.33 2frm h LYS 62 N -0.28 0.88 -0.39 4.80 1.57 -1.43 -0.87 116.57 120.86 2frm h LYS 62 Ca -0.01 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.53 2frm h LYS 62 Cb 0.24 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2frm h LYS 62 CO 0.02 0.73 -0.17 0.00 -0.57 0.00 0.00 179.45 179.45 2frm h ALA 63 N 1.39 0.98 -0.33 3.86 0.00 -1.02 0.17 119.26 124.31 2frm h ALA 63 Ca 0.21 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2frm h ALA 63 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2frm h ALA 63 CO -0.02 0.60 -0.11 -0.07 0.00 0.00 0.00 179.25 179.66 2frm h LEU 64 N 0.65 0.66 0.05 0.00 4.07 -0.55 -0.06 115.31 120.13 2frm h LEU 64 Ca 0.10 -0.38 -0.00 0.00 0.08 0.00 0.00 57.88 57.68 2frm h LEU 64 Cb 0.65 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2frm h LEU 64 CO 0.05 0.89 -0.02 -0.78 -1.08 0.00 0.00 178.44 177.49 2frm h ASP 65 N 0.43 -0.05 -0.71 -0.43 3.58 -0.95 -2.42 116.42 115.87 2frm h ASP 65 Ca 0.08 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2frm h ASP 65 Cb 0.61 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.64 2frm h ASP 65 CO 0.04 0.08 0.35 0.40 -2.88 0.00 0.00 179.24 177.23 2frm h ILE 66 N -0.19 1.23 -0.65 2.25 2.04 -0.96 -2.02 117.51 119.21 2frm h ILE 66 Ca -0.01 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.27 2frm h ILE 66 Cb 0.16 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 2frm h ILE 66 CO 0.01 0.27 0.43 0.74 0.00 0.00 0.00 178.15 179.60 2frm h THR 67 N 1.03 1.00 0.00 -0.27 2.02 -0.73 -1.18 112.91 114.77 2frm h THR 67 Ca 0.25 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 2frm h THR 67 Cb 0.10 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2frm h THR 67 CO -0.03 0.12 -0.31 0.45 0.37 0.00 0.00 175.52 176.11 2frm h HIS 68 N 0.64 0.00 0.00 3.16 3.86 -0.88 -2.84 115.15 119.09 2frm h HIS 68 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2frm h HIS 68 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2frm h HIS 68 CO -0.00 0.31 -0.39 -1.13 0.86 0.00 0.00 177.93 177.58 2frm n SER 69 N -3.58 0.50 -0.20 2.45 3.41 -0.47 -4.17 113.62 111.56 2frm n SER 69 Ca -0.01 0.12 -0.02 0.00 -0.26 0.00 0.00 58.87 58.70 2frm n SER 69 Cb 0.44 -0.04 0.08 0.00 -0.26 0.00 0.00 64.21 64.43 2frm n SER 69 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2frm h MET 70 N 0.00 0.50 0.00 4.33 2.86 -1.23 -0.34 114.93 121.04 2frm h MET 70 Ca 0.00 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2frm h MET 70 Cb 0.61 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2frm h MET 70 CO 0.00 0.33 -0.22 -0.24 1.06 0.00 0.00 176.91 177.84 2frm h VAL 71 N 0.52 0.96 -0.31 -2.22 3.04 -1.72 0.71 116.25 117.22 2frm h VAL 71 Ca 0.27 -0.81 -0.13 0.00 -1.01 0.00 0.00 66.70 65.03 2frm h VAL 71 Cb 0.24 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.96 2frm h VAL 71 CO -0.22 0.21 -0.34 0.24 -1.01 0.00 0.00 177.57 176.46 2frm h MET 72 N 0.00 0.67 -0.00 4.17 2.07 -1.29 -2.70 114.93 117.84 2frm h MET 72 Ca -0.00 -0.31 0.00 0.00 -2.07 0.00 0.00 59.70 57.31 2frm h MET 72 Cb 0.44 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.16 2frm h MET 72 CO 0.03 0.91 -0.21 1.19 1.07 0.00 0.00 176.91 179.90 2frm n PHE 73 N -4.06 0.00 -1.36 -0.22 3.72 -0.79 -4.93 117.46 109.82 2frm n PHE 73 Ca -0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.37 2frm n PHE 73 Cb 0.49 -0.18 -0.00 0.00 -0.94 0.00 0.00 39.48 38.85 2frm n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2frm n GLY 73 N 1.34 0.44 3.74 1.37 0.00 -0.47 -5.03 105.19 106.58 2frm n GLY 73 Ca 0.12 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 2frm n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2frm s SER 74 N -2.97 5.40 -0.05 1.61 0.15 0.12 -5.00 113.70 112.97 2frm s SER 74 Ca 0.00 0.04 0.17 0.00 0.70 0.00 0.00 55.95 56.86 2frm s SER 74 Cb 0.00 -1.47 0.55 0.00 -1.71 0.00 0.00 66.02 63.39 2frm s SER 74 CO 0.00 0.25 1.46 0.35 1.20 0.00 0.00 173.24 176.51 2frm n THR 75 N 1.12 1.34 -1.74 6.45 -2.24 -1.26 -4.11 114.28 113.84 2frm n THR 75 Ca -0.13 -1.13 -0.41 0.00 -2.27 0.00 0.00 64.05 60.12 2frm n THR 75 Cb 0.52 0.34 0.01 0.00 -2.10 0.00 0.00 70.33 69.10 2frm n THR 75 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2frm n SER 76 N 0.95 3.12 -4.73 3.42 7.64 -1.26 -4.97 113.62 117.78 2frm n SER 76 Ca 0.20 1.13 -0.35 0.00 1.01 0.00 0.00 58.87 60.87 2frm n SER 76 Cb 0.65 -1.57 -0.08 0.00 -1.01 0.00 0.00 64.21 62.20 2frm n SER 76 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2frm s LYS 77 N -2.30 4.07 -0.15 1.43 2.20 -1.26 -4.98 119.74 118.74 2frm s LYS 77 Ca 0.60 -0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.97 2frm s LYS 77 Cb -0.48 -3.36 0.04 0.00 -1.51 0.00 0.00 37.83 32.53 2frm s LYS 77 CO 0.59 0.35 -0.04 0.08 -0.36 0.00 0.00 175.35 175.97 2frm s VAL 78 N 0.21 0.91 0.11 4.02 1.01 -1.26 0.32 120.40 125.72 2frm s VAL 78 Ca 0.08 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.67 2frm s VAL 78 Cb -0.11 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2frm s VAL 78 CO -0.01 0.15 -0.14 0.27 0.00 0.00 0.00 175.10 175.37 2frm s ILE 79 N 1.73 1.28 0.06 2.22 -4.36 -0.78 -4.65 121.20 116.70 2frm s ILE 79 Ca 0.02 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 58.81 2frm s ILE 79 Cb -0.15 -1.43 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 2frm s ILE 79 CO -0.07 -0.37 0.07 -0.83 0.24 0.00 0.00 174.94 173.97 2frm s GLY 80 N -2.29 2.00 0.21 6.27 0.00 -1.26 -0.22 107.32 112.02 2frm s GLY 80 Ca 0.06 -0.99 -0.19 0.00 0.00 0.00 0.00 44.72 43.60 2frm s GLY 80 CO 0.03 -0.95 0.58 -1.08 0.00 0.00 0.00 173.10 171.68 2frm s THR 81 N -1.32 0.01 0.00 0.90 -1.32 0.31 -4.69 115.64 109.53 2frm s THR 81 Ca 0.27 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 2frm s THR 81 Cb -0.12 -1.57 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 2frm s THR 81 CO 0.19 -0.06 0.62 -0.46 -2.21 0.00 0.00 174.62 172.70 2frm n ASN 83 N -0.38 1.09 -4.46 8.08 0.23 -1.26 -1.49 115.26 117.07 2frm n ASN 83 Ca -0.10 -1.37 -0.35 0.00 -0.53 0.00 0.00 54.58 52.23 2frm n ASN 83 Cb 0.62 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.20 2frm n ASN 83 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2frm s ASP 84 N -0.37 4.81 0.53 0.53 3.68 -1.26 -4.89 116.67 119.69 2frm s ASP 84 Ca 0.00 -0.19 0.31 0.00 2.13 0.00 0.00 52.55 54.80 2frm s ASP 84 Cb 0.00 -1.81 1.40 0.00 -1.45 0.00 0.00 42.92 41.06 2frm s ASP 84 CO 0.00 0.09 2.01 1.88 0.13 0.00 0.00 175.17 179.28 2frm h TYR 85 N 7.30 0.00 0.00 -5.34 -1.99 -1.97 -2.33 116.97 112.64 2frm h TYR 85 Ca -0.35 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.38 2frm h TYR 85 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.91 2frm h TYR 85 CO 0.57 0.09 0.00 0.00 -0.00 0.00 0.00 178.16 178.82 2frm h ALA 86 N 1.91 1.00 0.00 3.88 0.00 -1.94 -1.65 119.26 122.45 2frm h ALA 86 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2frm h ALA 86 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2frm h ALA 86 CO 0.01 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 2frm n ASP 87 N -3.00 0.55 -1.16 0.00 8.00 -0.88 -2.87 116.55 117.20 2frm n ASP 87 Ca -0.02 0.57 0.09 0.00 0.71 0.00 0.00 54.79 56.14 2frm n ASP 87 Cb 0.13 -0.71 0.27 0.00 -0.02 0.00 0.00 41.12 40.79 2frm n ASP 87 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2frm n ILE 88 N -2.04 1.00 -1.68 0.53 -5.35 -0.62 -4.97 119.36 106.23 2frm n ILE 88 Ca 0.05 -0.83 -0.40 0.00 -0.27 0.00 0.00 62.75 61.30 2frm n ILE 88 Cb 0.35 0.28 0.03 0.00 -1.74 0.00 0.00 39.64 38.56 2frm n ILE 88 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2frm n SER 89 N 1.10 1.99 -2.32 7.28 3.41 -1.14 -2.12 113.62 121.83 2frm n SER 89 Ca 0.20 0.99 -0.13 0.00 -0.26 0.00 0.00 58.87 59.67 2frm n SER 89 Cb 0.57 -1.47 -0.01 0.00 -0.26 0.00 0.00 64.21 63.03 2frm n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2frm n GLY 90 N 0.96 -0.30 3.73 5.00 0.00 -0.32 -4.92 105.19 109.34 2frm n GLY 90 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2frm n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2frm s SER 91 N -2.04 7.45 0.16 1.61 1.04 -0.90 -4.81 113.70 116.21 2frm s SER 91 Ca 0.00 1.74 -0.04 0.00 0.48 0.00 0.00 55.95 58.13 2frm s SER 91 Cb 0.00 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 2frm s SER 91 CO 0.00 -0.06 1.39 0.44 0.98 0.00 0.00 173.24 175.99 2frm h ASP 92 N 5.61 0.56 -3.96 7.02 3.32 -1.27 -3.38 116.42 124.34 2frm h ASP 92 Ca -0.43 -0.39 -0.42 0.00 0.02 0.00 0.00 57.03 55.81 2frm h ASP 92 Cb 1.21 -0.17 -0.30 0.00 0.22 0.00 0.00 39.33 40.29 2frm h ASP 92 CO 0.72 1.15 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.91 2frm s VAL 93 N -3.57 0.81 -0.16 -1.35 1.01 -0.96 -1.34 120.40 114.84 2frm s VAL 93 Ca -0.06 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2frm s VAL 93 Cb 0.10 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2frm s VAL 93 CO 0.86 0.24 -0.16 -0.69 0.00 0.00 0.00 175.10 175.34 2frm s VAL 94 N -0.04 1.75 -0.25 2.92 1.01 0.05 -0.14 120.40 125.71 2frm s VAL 94 Ca 0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2frm s VAL 94 Cb -0.06 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 2frm s VAL 94 CO 0.00 0.49 -0.00 -0.63 0.00 0.00 0.00 175.10 174.96 2frm s ILE 95 N 1.40 3.57 -0.33 2.22 1.01 0.11 -0.68 121.20 128.50 2frm s ILE 95 Ca 0.05 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 60.00 2frm s ILE 95 Cb -0.13 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2frm s ILE 95 CO -0.11 0.30 0.26 -0.63 0.00 0.00 0.00 174.94 174.76 2frm s ILE 96 N 1.48 5.27 -0.01 2.92 1.01 0.27 -0.17 121.20 131.97 2frm s ILE 96 Ca 0.04 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.65 2frm s ILE 96 Cb -0.15 -3.72 -0.12 0.00 0.01 0.00 0.00 42.46 38.48 2frm s ILE 96 CO -0.01 -0.00 0.16 0.35 0.00 0.00 0.00 174.94 175.44 2frm n THR 97 N 5.13 0.03 -1.60 2.92 -2.24 0.79 -0.73 114.28 118.58 2frm n THR 97 Ca -0.12 -0.18 -0.53 0.00 -2.27 0.00 0.00 64.05 60.95 2frm n THR 97 Cb 0.50 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 2frm n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2frm n ALA 98 N -1.79 -1.05 -3.35 6.98 0.00 -0.47 -4.86 120.51 115.97 2frm n ALA 98 Ca -0.02 0.51 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 2frm n ALA 98 Cb 0.23 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 2frm n ALA 98 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2frm s SER 99 N 0.73 0.09 0.20 0.00 0.01 -1.26 -4.92 113.70 108.56 2frm s SER 99 Ca 0.86 -1.02 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 2frm s SER 99 Cb -0.98 0.67 -0.08 0.00 0.21 0.00 0.00 66.02 65.84 2frm s SER 99 CO 0.49 -1.30 1.18 -0.63 0.41 0.00 0.00 173.24 173.39 2frm s ILE 100 N -3.51 3.55 -1.02 1.44 1.01 -1.26 -4.88 121.20 116.52 2frm s ILE 100 Ca 0.21 1.35 -0.25 0.00 0.00 0.00 0.00 60.65 61.95 2frm s ILE 100 Cb -0.02 -3.86 -0.22 0.00 0.01 0.00 0.00 42.46 38.36 2frm s ILE 100 CO 0.11 0.24 2.07 -2.65 0.00 0.00 0.00 174.94 174.71 2frm n PRO 103 N 2.24 0.10 -3.15 2.79 -0.02 -1.26 -4.68 135.00 131.02 2frm n PRO 103 Ca 0.03 -1.58 0.02 0.00 -2.02 0.00 0.00 63.50 59.95 2frm n PRO 103 Cb 0.45 -3.78 -0.01 0.00 -0.02 0.00 0.00 33.50 30.14 2frm n PRO 103 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2frm s GLY 103 N 8.18 -1.29 0.15 -1.23 0.00 -1.26 -5.13 107.32 106.73 2frm s GLY 103 Ca 0.78 0.50 -0.33 0.00 0.00 0.00 0.00 44.72 45.67 2frm s GLY 103 CO 0.18 3.75 1.68 0.54 0.00 0.00 0.00 173.10 179.24 2frm n ARG 103 N 4.50 2.40 -1.54 2.90 3.00 -1.26 -4.88 116.66 121.78 2frm n ARG 103 Ca 0.09 0.87 -0.46 0.00 -0.01 0.00 0.00 57.85 58.34 2frm n ARG 103 Cb 0.57 -2.68 -0.02 0.00 0.00 0.00 0.00 32.46 30.33 2frm n ARG 103 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2frm n PRO 105 N 4.11 0.95 0.00 5.56 -0.02 -1.26 -4.91 135.00 139.43 2frm n PRO 105 Ca 0.17 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2frm n PRO 105 Cb 0.32 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 2frm n PRO 105 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2frm n LYS 105 N 0.97 0.00 -1.61 -0.52 2.85 -1.26 -5.03 118.16 113.56 2frm n LYS 105 Ca 0.13 -0.37 0.00 0.00 -1.05 0.00 0.00 58.31 57.01 2frm n LYS 105 Cb 0.29 -0.39 0.00 0.00 -0.65 0.00 0.00 35.03 34.27 2frm n LYS 105 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2frm n ASP 106 N 0.00 -7.21 0.00 -5.58 10.43 -1.26 -5.02 116.55 107.91 2frm n ASP 106 Ca 0.00 1.01 0.00 0.00 2.57 0.00 0.00 54.79 58.37 2frm n ASP 106 Cb 0.49 -3.91 0.00 0.00 1.84 0.00 0.00 41.12 39.54 2frm n ASP 106 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2frm n ASP 107 N 1.20 0.00 0.00 -2.24 2.03 -1.26 -4.99 116.55 111.29 2frm n ASP 107 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2frm n ASP 107 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2frm n ASP 107 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2frm n ARG 109 N 0.00 0.00 -0.00 -0.67 1.85 -1.26 -5.15 116.66 111.43 2frm n ARG 109 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2frm n ARG 109 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2frm n ARG 109 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2frm n SER 110 N 0.00 0.00 -4.91 2.89 3.41 -1.26 -4.95 113.62 108.80 2frm n SER 110 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 2frm n SER 110 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2frm n SER 110 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2frm s GLU 111 N -2.00 3.51 -0.39 4.33 2.02 -1.26 -4.98 118.70 119.92 2frm s GLU 111 Ca 0.00 -0.29 -0.40 0.00 0.02 0.00 0.00 54.97 54.30 2frm s GLU 111 Cb 0.00 -2.99 -0.16 0.00 0.10 0.00 0.00 34.13 31.08 2frm s GLU 111 CO 0.00 0.58 2.01 -0.11 0.02 0.00 0.00 175.26 177.76 2frm n LEU 112 N 0.38 1.70 -0.02 1.80 -0.00 -1.26 -4.74 117.00 114.86 2frm n LEU 112 Ca -0.05 0.73 -0.05 0.00 -0.00 0.00 0.00 56.01 56.63 2frm n LEU 112 Cb 0.52 -1.09 -0.03 0.00 -0.00 0.00 0.00 43.42 42.81 2frm n LEU 112 CO 0.49 -0.67 0.50 -0.07 -0.00 0.00 0.00 177.39 177.64 2frm h LEU 113 N 9.40 -0.62 0.00 -1.96 3.38 -1.93 0.52 115.31 124.09 2frm h LEU 113 Ca -0.28 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2frm h LEU 113 Cb 1.35 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2frm h LEU 113 CO 1.02 -0.16 0.09 0.49 0.09 0.00 0.00 178.44 179.98 2frm n PHE 114 N -3.59 0.00 -0.04 1.13 3.01 -1.26 -0.62 117.46 116.09 2frm n PHE 114 Ca -0.02 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.23 2frm n PHE 114 Cb 0.13 -0.37 -0.13 0.00 -0.01 0.00 0.00 39.48 39.10 2frm n PHE 114 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2frm h GLY 115 N 0.00 0.16 2.00 1.37 0.00 -1.27 -3.21 103.07 102.12 2frm h GLY 115 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 2frm h GLY 115 CO 0.00 0.36 -0.62 3.43 0.00 0.00 0.00 176.54 179.70 2frm h ASN 116 N -0.57 0.00 0.23 0.19 -0.26 -0.52 -3.20 115.58 111.45 2frm h ASN 116 Ca -0.30 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.32 2frm h ASN 116 Cb 1.56 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.81 2frm h ASN 116 CO -0.03 0.62 -0.45 0.00 -1.06 0.00 0.00 177.43 176.51 2frm h ALA 117 N 1.38 1.02 -0.02 -0.83 0.00 -1.03 -2.37 119.26 117.41 2frm h ALA 117 Ca -0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2frm h ALA 117 Cb 1.47 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2frm h ALA 117 CO 0.08 0.62 0.01 0.00 0.00 0.00 0.00 179.25 179.97 2frm h ARG 118 N 0.23 0.03 -0.63 0.00 2.47 -1.55 -0.21 114.38 114.72 2frm h ARG 118 Ca 0.02 -0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.79 2frm h ARG 118 Cb 0.89 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.15 2frm h ARG 118 CO 0.07 0.12 0.33 0.82 0.56 0.00 0.00 179.97 181.88 2frm h ILE 119 N -0.08 0.95 -0.49 2.04 2.04 -1.57 -1.04 117.51 119.36 2frm h ILE 119 Ca 0.01 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2frm h ILE 119 Cb 0.11 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 2frm h ILE 119 CO -0.00 0.11 0.31 -0.07 0.00 0.00 0.00 178.15 178.51 2frm h LEU 120 N 0.62 0.57 -0.33 1.44 3.38 -1.07 0.18 115.31 120.10 2frm h LEU 120 Ca 0.28 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.28 2frm h LEU 120 Cb 0.19 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2frm h LEU 120 CO -0.19 0.43 0.02 0.44 0.09 0.00 0.00 178.44 179.23 2frm h ASP 121 N 0.66 -0.08 -0.71 -0.43 3.45 -0.41 1.03 116.42 119.93 2frm h ASP 121 Ca 0.18 0.07 0.02 0.00 0.43 0.00 0.00 57.03 57.73 2frm h ASP 121 Cb -0.06 0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 38.78 2frm h ASP 121 CO -0.04 -0.00 0.45 -1.28 -1.57 0.00 0.00 179.24 176.80 2frm h SER 122 N 0.13 0.76 -0.34 6.45 0.87 -0.51 -0.69 113.55 120.23 2frm h SER 122 Ca 0.16 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.54 2frm h SER 122 Cb 0.20 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2frm h SER 122 CO -0.24 0.54 -0.45 0.58 -0.53 0.00 0.00 176.83 176.72 2frm h VAL 123 N 0.90 1.27 -0.79 2.23 2.07 0.35 -2.84 116.25 119.45 2frm h VAL 123 Ca 0.27 -1.63 0.05 0.00 0.82 0.00 0.00 66.70 66.22 2frm h VAL 123 Cb -0.03 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 2frm h VAL 123 CO -0.09 0.54 0.48 0.00 0.02 0.00 0.00 177.57 178.52 2frm h ALA 124 N 0.73 1.06 -0.62 1.67 0.00 0.16 0.50 119.26 122.74 2frm h ALA 124 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2frm h ALA 124 Cb 1.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2frm h ALA 124 CO 0.11 0.23 0.28 0.93 0.00 0.00 0.00 179.25 180.80 2frm h GLU 125 N 0.90 0.91 -0.62 0.00 4.39 -1.04 -1.15 114.58 117.96 2frm h GLU 125 Ca 0.34 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 2frm h GLU 125 Cb 0.12 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2frm h GLU 125 CO -0.16 0.75 0.19 0.78 -1.16 0.00 0.00 179.01 179.41 2frm h GLY 126 N 0.86 1.04 0.68 -3.84 0.00 -1.11 -2.76 103.07 97.95 2frm h GLY 126 Ca 0.21 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2frm h GLY 126 CO -0.02 0.58 -0.17 -2.08 0.00 0.00 0.00 176.54 174.85 2frm h VAL 127 N 0.89 0.60 0.00 4.60 2.07 -0.61 0.23 116.25 124.04 2frm h VAL 127 Ca 0.20 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2frm h VAL 127 Cb 0.30 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2frm h VAL 127 CO -0.01 0.09 0.00 2.29 0.02 0.00 0.00 177.57 179.97 2frm n LYS 128 N -5.17 0.15 -0.02 1.57 2.85 -0.46 0.37 118.16 117.45 2frm n LYS 128 Ca -0.10 0.52 -0.18 0.00 -1.05 0.00 0.00 58.31 57.49 2frm n LYS 128 Cb 0.27 -1.87 -0.14 0.00 -0.65 0.00 0.00 35.03 32.64 2frm n LYS 128 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2frm n LYS 129 N -2.17 0.72 -0.00 -1.58 4.81 -1.04 -4.41 118.16 114.49 2frm n LYS 129 Ca 0.00 0.25 0.06 0.00 -0.87 0.00 0.00 58.31 57.75 2frm n LYS 129 Cb 0.13 -1.70 -0.08 0.00 0.02 0.00 0.00 35.03 33.39 2frm n LYS 129 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2frm n TYR 130 N -3.36 0.00 -2.78 5.64 4.01 0.06 -4.84 117.16 115.89 2frm n TYR 130 Ca -0.31 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.34 2frm n TYR 130 Cb 1.05 -0.21 0.07 0.00 -0.31 0.00 0.00 39.34 39.94 2frm n TYR 130 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2frm h PRO 132 N 3.28 0.00 -0.02 0.00 0.11 -1.65 -1.57 132.00 132.15 2frm h PRO 132 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2frm h PRO 132 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2frm h PRO 132 CO 0.22 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.10 2frm n ASN 132 N -3.83 1.28 -4.74 -2.05 3.02 -1.26 -4.90 115.26 102.78 2frm n ASN 132 Ca 0.02 -1.44 -0.33 0.00 -0.03 0.00 0.00 54.58 52.79 2frm n ASN 132 Cb 0.34 -0.01 0.08 0.00 -0.61 0.00 0.00 39.78 39.58 2frm n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2frm s ALA 133 N -1.98 2.19 -0.30 5.41 0.00 -0.59 -4.99 121.76 121.49 2frm s ALA 133 Ca 0.39 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 52.89 2frm s ALA 133 Cb 0.21 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 2frm s ALA 133 CO 0.33 -1.74 0.33 0.12 0.00 0.00 0.00 175.76 174.80 2frm s PHE 134 N -2.24 3.23 -0.20 0.00 5.36 -0.45 -4.90 117.98 118.76 2frm s PHE 134 Ca 0.70 0.16 -0.09 0.00 -0.96 0.00 0.00 56.93 56.74 2frm s PHE 134 Cb -0.25 -2.57 -0.05 0.00 -0.34 0.00 0.00 43.02 39.82 2frm s PHE 134 CO 0.46 -0.30 0.11 0.08 -1.46 0.00 0.00 175.22 174.11 2frm s VAL 135 N 1.98 5.15 -0.21 3.12 1.01 -0.16 -0.77 120.40 130.52 2frm s VAL 135 Ca 0.12 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2frm s VAL 135 Cb -0.16 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.89 2frm s VAL 135 CO 0.11 0.43 -0.13 -0.63 0.00 0.00 0.00 175.10 174.87 2frm s ILE 136 N 0.54 2.42 0.04 2.22 1.01 0.14 -1.79 121.20 125.78 2frm s ILE 136 Ca 0.06 -1.03 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 2frm s ILE 136 Cb -0.12 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 2frm s ILE 136 CO 0.00 0.35 0.29 0.00 0.00 0.00 0.00 174.94 175.58 2frm s ILE 138 N -1.40 0.38 0.02 0.00 1.01 0.10 -0.93 121.20 120.37 2frm s ILE 138 Ca 0.31 -2.50 -0.16 0.00 0.00 0.00 0.00 60.65 58.30 2frm s ILE 138 Cb -0.13 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.09 2frm s ILE 138 CO 0.19 -1.18 0.34 -0.89 0.00 0.00 0.00 174.94 173.41 2frm s THR 139 N 0.23 0.06 -0.10 2.92 2.01 -1.26 -4.49 115.64 115.00 2frm s THR 139 Ca 0.30 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.74 2frm s THR 139 Cb -0.02 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 2frm s THR 139 CO -0.15 -0.29 -0.00 0.20 -0.69 0.00 0.00 174.62 173.68 2frm s ASN 140 N -1.75 5.16 -0.22 3.53 0.01 -1.26 -1.04 114.94 119.37 2frm s ASN 140 Ca -0.08 0.09 -0.29 0.00 -0.71 0.00 0.00 52.86 51.86 2frm s ASN 140 Cb -0.02 -1.53 -0.00 0.00 0.41 0.00 0.00 41.25 40.10 2frm s ASN 140 CO 0.00 0.33 1.18 -2.84 -1.51 0.00 0.00 177.10 174.26 2frm s PRO 141 N -0.61 4.19 0.00 -0.60 0.02 -1.26 -4.35 135.00 132.38 2frm s PRO 141 Ca 0.10 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.58 2frm s PRO 141 Cb -0.12 -3.74 0.00 0.00 0.02 0.00 0.00 34.50 30.67 2frm s PRO 141 CO 0.02 -0.75 0.71 -0.11 -0.33 0.00 0.00 177.00 176.54 2frm n LEU 142 N 6.66 0.00 -0.32 -5.54 7.94 -0.20 0.00 117.00 125.54 2frm n LEU 142 Ca 0.13 0.71 0.20 0.00 -1.11 0.00 0.00 56.01 55.94 2frm n LEU 142 Cb 0.46 -0.21 0.41 0.00 0.53 0.00 0.00 43.42 44.61 2frm n LEU 142 CO 0.56 -0.21 1.06 0.44 -1.11 0.00 0.00 177.39 178.13 2frm h ASP 143 N 0.00 0.37 0.29 1.96 3.32 -1.90 0.33 116.42 120.78 2frm h ASP 143 Ca 0.00 0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2frm h ASP 143 Cb 0.00 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2frm h ASP 143 CO 0.00 -0.13 -0.14 0.58 -1.72 0.00 0.00 179.24 177.83 2frm h VAL 144 N 0.31 0.73 -0.84 -1.35 2.07 -1.80 -2.53 116.25 112.84 2frm h VAL 144 Ca 0.67 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2frm h VAL 144 Cb 1.47 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 2frm h VAL 144 CO -0.62 0.11 0.53 0.24 0.02 0.00 0.00 177.57 177.85 2frm h MET 145 N -0.69 1.13 0.03 1.57 2.86 0.13 -0.97 114.93 118.99 2frm h MET 145 Ca -0.04 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2frm h MET 145 Cb 0.48 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2frm h MET 145 CO 0.07 0.77 -0.01 0.28 1.06 0.00 0.00 176.91 179.07 2frm h VAL 146 N 1.15 1.05 -0.73 -2.22 2.07 -0.44 -0.77 116.25 116.37 2frm h VAL 146 Ca 0.31 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.65 2frm h VAL 146 Cb -0.08 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2frm h VAL 146 CO -0.06 0.06 0.42 -1.28 0.02 0.00 0.00 177.57 176.73 2frm h SER 147 N -0.14 0.62 -0.66 0.57 0.87 -1.10 -0.65 113.55 113.06 2frm h SER 147 Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2frm h SER 147 Cb 0.13 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2frm h SER 147 CO 0.01 0.40 0.42 -0.74 -0.53 0.00 0.00 176.83 176.38 2frm h HIS 148 N 0.76 0.85 -0.18 2.24 6.17 -0.80 0.13 115.15 124.32 2frm h HIS 148 Ca 0.33 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.41 2frm h HIS 148 Cb 0.21 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 29.84 2frm h HIS 148 CO -0.07 0.56 0.08 0.35 0.71 0.00 0.00 177.93 179.56 2frm h PHE 149 N 0.90 0.28 0.05 5.26 3.57 -0.31 0.30 116.94 126.99 2frm h PHE 149 Ca 0.24 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.74 2frm h PHE 149 Cb -0.06 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2frm h PHE 149 CO -0.02 0.33 -0.21 0.37 -2.23 0.00 0.00 178.31 176.55 2frm h GLN 150 N 0.15 -0.35 -0.26 1.11 -0.00 -0.78 0.38 115.11 115.37 2frm h GLN 150 Ca 0.06 0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.78 2frm h GLN 150 Cb 0.17 0.08 -0.04 0.00 0.00 0.00 0.00 27.48 27.68 2frm h GLN 150 CO -0.01 -0.23 -0.02 0.87 0.00 0.00 0.00 178.83 179.44 2frm h LYS 151 N -0.36 0.05 0.00 1.69 1.57 -0.53 0.55 116.57 119.54 2frm h LYS 151 Ca 0.04 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 2frm h LYS 151 Cb 0.41 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2frm h LYS 151 CO -0.16 0.04 -0.60 0.28 -0.57 0.00 0.00 179.45 178.44 2frm h VAL 152 N 0.06 1.24 0.09 0.50 2.07 -0.74 -3.27 116.25 116.21 2frm h VAL 152 Ca 0.12 -2.20 -0.30 0.00 0.82 0.00 0.00 66.70 65.15 2frm h VAL 152 Cb 0.17 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2frm h VAL 152 CO -0.22 0.59 -1.53 0.77 0.02 0.00 0.00 177.57 177.20 2frm h SER 153 N 0.00 0.30 -0.57 0.57 4.64 0.02 -3.47 113.55 115.04 2frm h SER 153 Ca -0.01 -0.44 -0.12 0.00 -0.47 0.00 0.00 61.79 60.76 2frm h SER 153 Cb 1.20 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 2frm h SER 153 CO 0.08 1.37 -0.13 0.61 -0.87 0.00 0.00 176.83 177.88 2frm n GLY 154 N 1.64 0.46 3.86 -0.77 0.00 0.19 -4.87 105.19 105.70 2frm n GLY 154 Ca -0.16 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 2frm n GLY 154 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2frm s LEU 155 N -1.52 3.76 0.35 0.99 1.43 -1.24 -4.98 118.68 117.47 2frm s LEU 155 Ca 0.00 1.28 -0.26 0.00 -1.03 0.00 0.00 54.13 54.12 2frm s LEU 155 Cb 0.00 -4.18 -0.12 0.00 0.03 0.00 0.00 46.19 41.92 2frm s LEU 155 CO 0.00 -0.46 1.06 -2.65 0.23 0.00 0.00 176.35 174.53 2frm n PRO 156 N -1.39 1.50 0.30 1.29 -0.02 -1.26 -4.81 135.00 130.61 2frm n PRO 156 Ca 0.04 0.53 0.18 0.00 -2.02 0.00 0.00 63.50 62.22 2frm n PRO 156 Cb 0.54 -2.02 0.92 0.00 -0.02 0.00 0.00 33.50 32.92 2frm n PRO 156 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 2frm h HIS 157 N 1.90 0.00 0.00 6.00 2.07 -1.93 -1.48 115.15 121.71 2frm h HIS 157 Ca -0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.09 2frm h HIS 157 Cb 1.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.31 2frm h HIS 157 CO 0.46 0.04 0.00 0.27 -3.07 0.00 0.00 177.93 175.63 2frm n ASN 158 N -3.34 0.00 -0.83 3.10 6.94 -1.26 -3.06 115.26 116.82 2frm n ASN 158 Ca -0.02 0.23 0.07 0.00 -0.02 0.00 0.00 54.58 54.84 2frm n ASN 158 Cb 0.18 -0.40 0.21 0.00 -2.36 0.00 0.00 39.78 37.40 2frm n ASN 158 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2frm n LYS 159 N -1.40 2.96 -3.98 -3.83 4.76 -0.56 -0.62 118.16 115.48 2frm n LYS 159 Ca 0.09 -2.33 -0.23 0.00 -2.87 0.00 0.00 58.31 52.98 2frm n LYS 159 Cb 0.27 -1.46 -0.17 0.00 -1.84 0.00 0.00 35.03 31.83 2frm n LYS 159 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2frm s VAL 160 N -1.45 0.60 0.32 -0.18 1.01 -1.17 -0.98 120.40 118.54 2frm s VAL 160 Ca 0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 2frm s VAL 160 Cb 0.19 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.91 2frm s VAL 160 CO 0.16 0.27 0.42 0.00 0.00 0.00 0.00 175.10 175.96 2frm s GLY 162 N -3.03 0.93 -0.23 0.00 0.00 0.70 -1.36 107.32 104.34 2frm s GLY 162 Ca 0.29 -1.38 -0.05 0.00 0.00 0.00 0.00 44.72 43.57 2frm s GLY 162 CO 0.20 -1.47 0.01 -0.29 0.00 0.00 0.00 173.10 171.55 2frm s MET 163 N -3.54 3.54 0.15 2.90 1.75 -0.10 -1.69 119.30 122.31 2frm s MET 163 Ca 0.13 -0.55 0.00 0.00 -1.25 0.00 0.00 55.69 54.02 2frm s MET 163 Cb 0.02 -3.15 0.00 0.00 2.84 0.00 0.00 34.83 34.54 2frm s MET 163 CO -0.01 -0.15 0.00 0.00 -0.65 0.00 0.00 175.02 174.21 2frm n ALA 164 N 4.74 0.00 -0.35 4.11 0.00 -1.26 -4.81 120.51 122.94 2frm n ALA 164 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.40 2frm n ALA 164 Cb 0.51 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.30 2frm n ALA 164 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2frm h GLY 165 N 0.00 1.73 0.85 0.00 0.00 -1.85 0.56 103.07 104.35 2frm h GLY 165 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 2frm h GLY 165 CO 0.00 -0.05 -0.08 -2.08 0.00 0.00 0.00 176.54 174.33 2frm h VAL 166 N 0.75 1.29 0.43 4.60 2.07 -1.67 0.37 116.25 124.09 2frm h VAL 166 Ca 0.57 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2frm h VAL 166 Cb 0.91 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2frm h VAL 166 CO -0.37 0.34 -0.28 0.25 0.02 0.00 0.00 177.57 177.54 2frm h LEU 167 N 0.22 -0.70 -0.24 2.57 5.85 -1.64 0.71 115.31 122.09 2frm h LEU 167 Ca 0.06 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2frm h LEU 167 Cb 0.55 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2frm h LEU 167 CO 0.03 -0.43 0.15 0.44 -0.34 0.00 0.00 178.44 178.28 2frm h ASP 168 N -0.68 0.27 -0.33 1.25 3.32 -0.89 -1.59 116.42 117.78 2frm h ASP 168 Ca -0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2frm h ASP 168 Cb 0.57 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2frm h ASP 168 CO 0.04 0.21 0.21 0.28 -1.72 0.00 0.00 179.24 178.27 2frm h SER 169 N 0.31 0.38 -0.26 6.45 0.02 -0.17 0.80 113.55 121.07 2frm h SER 169 Ca 0.09 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 2frm h SER 169 Cb -0.02 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 2frm h SER 169 CO -0.02 0.28 -0.33 0.28 -1.14 0.00 0.00 176.83 175.90 2frm h SER 170 N 0.45 0.75 -0.52 3.07 0.02 -0.24 0.20 113.55 117.27 2frm h SER 170 Ca 0.12 -0.50 -0.07 0.00 -0.84 0.00 0.00 61.79 60.51 2frm h SER 170 Cb -0.04 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 2frm h SER 170 CO -0.03 1.09 0.09 0.03 -1.14 0.00 0.00 176.83 176.88 2frm h ARG 171 N 0.42 0.91 -0.04 3.45 3.08 -0.80 0.12 114.38 121.52 2frm h ARG 171 Ca 0.03 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 2frm h ARG 171 Cb 0.91 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 2frm h ARG 171 CO 0.08 0.85 0.02 0.35 -1.07 0.00 0.00 179.97 180.20 2frm h PHE 172 N 0.87 0.06 -0.53 3.04 3.57 -0.65 -1.64 116.94 121.67 2frm h PHE 172 Ca 0.18 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 2frm h PHE 172 Cb 0.38 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2frm h PHE 172 CO 0.02 0.17 0.12 0.00 -2.23 0.00 0.00 178.31 176.39 2frm h ARG 173 N -0.06 0.81 -0.30 1.11 3.08 -0.23 -2.65 114.38 116.14 2frm h ARG 173 Ca 0.01 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 2frm h ARG 173 Cb 0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2frm h ARG 173 CO -0.00 0.74 0.14 1.15 -1.07 0.00 0.00 179.97 180.92 2frm h THR 174 N 0.78 1.16 -0.13 2.04 2.02 -0.47 0.16 112.91 118.47 2frm h THR 174 Ca 0.17 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 2frm h THR 174 Cb 0.30 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2frm h THR 174 CO -0.00 0.17 -0.36 -0.26 0.37 0.00 0.00 175.52 175.44 2frm h PHE 175 N 0.34 0.32 -0.25 3.16 0.04 -1.18 0.10 116.94 119.47 2frm h PHE 175 Ca 0.10 -0.08 -0.17 0.00 2.80 0.00 0.00 57.97 60.62 2frm h PHE 175 Cb 0.14 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.21 2frm h PHE 175 CO -0.02 0.61 -0.51 0.82 -0.60 0.00 0.00 178.31 178.61 2frm h ILE 176 N 0.24 1.29 -0.36 -0.55 2.04 -1.33 -2.25 117.51 116.58 2frm h ILE 176 Ca 0.03 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.17 2frm h ILE 176 Cb 0.75 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2frm h ILE 176 CO 0.06 0.55 0.19 0.00 0.00 0.00 0.00 178.15 178.95 2frm h ALA 177 N 0.65 0.47 -0.57 1.87 0.00 -0.61 -1.79 119.26 119.27 2frm h ALA 177 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2frm h ALA 177 Cb 1.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2frm h ALA 177 CO 0.11 0.00 0.36 1.96 0.00 0.00 0.00 179.25 181.69 2frm h GLN 178 N 0.46 0.76 0.02 0.00 4.20 -0.75 0.63 115.11 120.42 2frm h GLN 178 Ca 0.13 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2frm h GLN 178 Cb 0.07 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2frm h GLN 178 CO -0.02 0.51 -0.01 1.25 -0.67 0.00 0.00 178.83 179.90 2frm h HIS 179 N 0.78 -0.02 0.00 2.96 2.76 -0.94 -3.15 115.15 117.53 2frm h HIS 179 Ca 0.21 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2frm h HIS 179 Cb -0.06 0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.90 2frm h HIS 179 CO 0.00 0.42 0.00 1.19 -1.30 0.00 0.00 177.93 178.24 2frm n PHE 180 N -4.89 0.24 -2.82 5.26 3.72 -0.72 -4.93 117.46 113.32 2frm n PHE 180 Ca -0.08 0.07 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 2frm n PHE 180 Cb 0.23 -0.62 0.03 0.00 -0.94 0.00 0.00 39.48 38.18 2frm n PHE 180 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2frm n GLY 181 N 1.34 0.11 3.60 1.37 0.00 0.21 -5.04 105.19 106.79 2frm n GLY 181 Ca 0.06 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 2frm n GLY 181 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2frm s VAL 182 N -2.99 1.56 0.03 1.61 -7.23 -0.92 -5.03 120.40 107.43 2frm s VAL 182 Ca 0.22 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.08 2frm s VAL 182 Cb -0.10 -2.76 -0.07 0.00 0.56 0.00 0.00 36.38 34.01 2frm s VAL 182 CO 0.27 0.00 1.65 0.21 -0.31 0.00 0.00 175.10 176.92 2frm s ASN 183 N -3.68 6.63 0.48 4.85 2.47 -1.26 -4.61 114.94 119.83 2frm s ASN 183 Ca 0.29 2.40 0.21 0.00 0.42 0.00 0.00 52.86 56.18 2frm s ASN 183 Cb 0.08 -2.55 1.23 0.00 -1.45 0.00 0.00 41.25 38.56 2frm s ASN 183 CO 0.15 -0.89 1.97 0.00 -3.72 0.00 0.00 177.10 174.60 2frm h ALA 184 N 8.73 2.31 0.00 1.71 0.00 -1.92 0.81 119.26 130.90 2frm h ALA 184 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2frm h ALA 184 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2frm h ALA 184 CO 0.93 -0.47 0.00 0.43 0.00 0.00 0.00 179.25 180.14 2frm n SER 185 N -4.42 0.69 -0.93 0.00 7.64 -1.26 -1.61 113.62 113.72 2frm n SER 185 Ca 0.11 0.69 0.11 0.00 1.01 0.00 0.00 58.87 60.79 2frm n SER 185 Cb 0.55 -0.83 0.27 0.00 -1.01 0.00 0.00 64.21 63.19 2frm n SER 185 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2frm n ASP 186 N -2.29 2.77 -4.58 6.43 8.00 0.28 -4.86 116.55 122.30 2frm n ASP 186 Ca 0.01 -1.91 -0.34 0.00 0.71 0.00 0.00 54.79 53.26 2frm n ASP 186 Cb 0.20 -0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 40.95 2frm n ASP 186 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2frm s VAL 187 N -1.52 4.18 -0.26 2.53 0.11 -0.63 -4.52 120.40 120.29 2frm s VAL 187 Ca 0.36 -0.27 -0.08 0.00 -2.93 0.00 0.00 61.98 59.06 2frm s VAL 187 Cb 0.20 -2.82 -0.03 0.00 -1.53 0.00 0.00 36.38 32.21 2frm s VAL 187 CO 0.28 0.52 0.09 -0.55 -3.33 0.00 0.00 175.10 172.11 2frm s SER 188 N -0.04 5.26 -0.24 3.54 0.15 0.38 -4.96 113.70 117.78 2frm s SER 188 Ca 0.03 -0.22 -0.12 0.00 0.70 0.00 0.00 55.95 56.34 2frm s SER 188 Cb -0.13 -1.95 0.09 0.00 -1.71 0.00 0.00 66.02 62.32 2frm s SER 188 CO 0.02 -0.05 0.57 0.00 1.20 0.00 0.00 173.24 174.98 2frm s ALA 189 N 1.63 -1.59 0.03 5.45 0.00 -1.26 -0.16 121.76 125.86 2frm s ALA 189 Ca 0.06 2.04 0.08 0.00 0.00 0.00 0.00 51.96 54.14 2frm s ALA 189 Cb -0.15 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 2frm s ALA 189 CO 0.05 -0.52 -0.22 -0.80 0.00 0.00 0.00 175.76 174.27 2frm s ASN 190 N 1.98 3.51 -0.09 0.00 0.01 -1.26 -4.68 114.94 114.41 2frm s ASN 190 Ca -0.08 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.64 2frm s ASN 190 Cb -0.08 -0.48 -0.01 0.00 0.41 0.00 0.00 41.25 41.09 2frm s ASN 190 CO -0.17 0.27 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.77 2frm s VAL 191 N -0.83 2.17 0.10 1.60 1.01 -1.26 -1.32 120.40 121.86 2frm s VAL 191 Ca 0.13 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2frm s VAL 191 Cb -0.10 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 2frm s VAL 191 CO 0.03 0.56 0.03 2.30 0.00 0.00 0.00 175.10 178.02 2frm n ILE 192 N 3.31 0.00 -2.83 2.22 -5.35 0.02 -4.76 119.36 111.97 2frm n ILE 192 Ca -0.18 -0.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 2frm n ILE 192 Cb 0.53 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.62 2frm n ILE 192 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2frm n GLY 193 N 1.91 -0.43 0.00 3.28 0.00 -0.51 -0.24 105.19 109.19 2frm n GLY 193 Ca -0.02 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2frm n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2frm n GLY 194 N 0.00 2.82 3.93 -0.02 0.00 -0.99 -1.98 105.19 108.95 2frm n GLY 194 Ca 0.00 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 2frm n GLY 194 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2frm s HIS 195 N 2.62 2.27 0.00 1.61 -3.43 -1.26 -2.83 115.29 114.27 2frm s HIS 195 Ca 0.00 0.39 0.00 0.00 -0.80 0.00 0.00 55.06 54.65 2frm s HIS 195 Cb 0.00 -3.60 0.00 0.00 -1.43 0.00 0.00 32.58 27.55 2frm s HIS 195 CO 0.00 -2.01 0.00 0.41 -2.00 0.00 0.00 174.74 171.14 2frm n GLY 196 N -3.33 1.49 0.23 -1.38 0.00 -1.26 0.13 105.19 101.07 2frm n GLY 196 Ca 0.12 0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.46 2frm n GLY 196 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2frm h ASP 197 N 0.00 0.00 0.92 1.61 3.32 -1.92 -1.05 116.42 119.30 2frm h ASP 197 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2frm h ASP 197 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2frm h ASP 197 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2frm n GLY 198 N -0.17 -1.38 3.77 2.75 0.00 0.36 -4.79 105.19 105.73 2frm n GLY 198 Ca 0.01 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2frm n GLY 198 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2frm s MET 199 N -3.21 4.10 -0.34 1.61 0.00 -0.40 -2.34 119.30 118.71 2frm s MET 199 Ca 0.07 2.35 -0.00 0.00 0.00 0.00 0.00 55.69 58.11 2frm s MET 199 Cb 0.11 -2.91 0.11 0.00 0.00 0.00 0.00 34.83 32.14 2frm s MET 199 CO 0.44 -0.46 0.15 0.08 0.00 0.00 0.00 175.02 175.23 2frm s VAL 200 N -1.17 0.82 -0.61 10.11 1.01 0.66 -4.90 120.40 126.33 2frm s VAL 200 Ca 0.54 -1.65 -0.28 0.00 0.00 0.00 0.00 61.98 60.59 2frm s VAL 200 Cb -0.42 -1.61 0.03 0.00 0.00 0.00 0.00 36.38 34.38 2frm s VAL 200 CO 0.56 -0.77 1.18 -2.16 0.00 0.00 0.00 175.10 173.91 2frm s PRO 201 N 1.29 3.43 -0.81 2.72 0.04 -1.26 -0.80 135.00 139.62 2frm s PRO 201 Ca 0.13 0.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.01 2frm s PRO 201 Cb -0.20 -4.05 -0.11 0.00 0.04 0.00 0.00 34.50 30.18 2frm s PRO 201 CO -0.17 -1.75 2.29 0.00 0.04 0.00 0.00 177.00 177.41 2frm s ALA 202 N 4.98 0.96 -0.72 8.56 0.00 -0.44 -4.75 121.76 130.36 2frm s ALA 202 Ca 0.40 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.42 2frm s ALA 202 Cb -0.08 -4.57 0.15 0.00 0.00 0.00 0.00 23.12 18.63 2frm s ALA 202 CO 0.23 -5.60 1.01 0.25 0.00 0.00 0.00 175.76 171.64 2frm n THR 203 N 8.53 1.54 1.21 0.00 -2.24 -1.26 -0.05 114.28 122.01 2frm n THR 203 Ca 0.45 0.54 0.14 0.00 -2.27 0.00 0.00 64.05 62.90 2frm n THR 203 Cb 0.44 -1.54 0.51 0.00 -2.10 0.00 0.00 70.33 67.65 2frm n THR 203 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2frm n SER 204 N -1.53 0.42 -0.00 3.42 3.41 -1.26 -3.64 113.62 114.43 2frm n SER 204 Ca -0.00 -0.29 0.10 0.00 -0.26 0.00 0.00 58.87 58.42 2frm n SER 204 Cb 0.09 -0.07 -0.13 0.00 -0.26 0.00 0.00 64.21 63.84 2frm n SER 204 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2frm n SER 205 N -1.18 0.71 -4.71 4.04 3.41 0.93 -4.88 113.62 111.93 2frm n SER 205 Ca 0.11 -0.62 -0.42 0.00 -0.26 0.00 0.00 58.87 57.68 2frm n SER 205 Cb 0.31 1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 65.57 2frm n SER 205 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2frm s VAL 206 N -3.08 3.63 -0.02 -3.33 0.11 -1.22 -4.22 120.40 112.28 2frm s VAL 206 Ca 0.02 1.16 -0.17 0.00 -2.93 0.00 0.00 61.98 60.06 2frm s VAL 206 Cb 0.14 -3.75 0.03 0.00 -1.53 0.00 0.00 36.38 31.28 2frm s VAL 206 CO 0.83 0.09 0.37 -0.55 -3.33 0.00 0.00 175.10 172.51 2frm s SER 207 N 1.12 -0.27 -0.18 3.54 0.15 0.78 -2.55 113.70 116.29 2frm s SER 207 Ca 0.62 0.17 0.15 0.00 0.70 0.00 0.00 55.95 57.59 2frm s SER 207 Cb -0.33 0.35 0.44 0.00 -1.71 0.00 0.00 66.02 64.77 2frm s SER 207 CO 0.30 -0.49 1.19 0.52 1.20 0.00 0.00 173.24 175.96 2frm n VAL 208 N 1.16 1.64 0.00 4.45 0.31 -1.26 -0.47 118.33 124.16 2frm n VAL 208 Ca -0.21 -2.90 0.00 0.00 -0.01 0.00 0.00 64.34 61.22 2frm n VAL 208 Cb 0.56 0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 2frm n VAL 208 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2frm n GLY 209 N -0.58 0.00 3.59 2.92 0.00 -1.26 -4.83 105.19 105.02 2frm n GLY 209 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2frm n GLY 209 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2frm s VAL 209 N 0.00 5.01 0.58 1.61 1.01 -1.26 -5.06 120.40 122.29 2frm s VAL 209 Ca 0.00 0.63 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 2frm s VAL 209 Cb 0.00 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2frm s VAL 209 CO 0.00 -0.11 1.26 -2.84 0.00 0.00 0.00 175.10 173.41 2frm s PRO 209 N 2.43 3.03 0.22 2.72 0.02 -1.26 -4.42 135.00 137.74 2frm s PRO 209 Ca 0.21 1.97 -0.07 0.00 0.02 0.00 0.00 61.00 63.13 2frm s PRO 209 Cb -0.15 -2.05 0.34 0.00 0.02 0.00 0.00 34.50 32.66 2frm s PRO 209 CO 0.12 -1.20 1.76 1.25 -0.33 0.00 0.00 177.00 178.60 2frm h LEU 210 N 1.11 0.37 -1.56 -5.54 5.85 -1.81 0.23 115.31 113.95 2frm h LEU 210 Ca -0.51 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.32 2frm h LEU 210 Cb 1.30 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 2frm h LEU 210 CO 0.56 0.20 0.34 0.77 -0.34 0.00 0.00 178.44 179.97 2frm h SER 210 N 0.52 0.49 0.84 1.25 4.64 -1.91 0.34 113.55 119.73 2frm h SER 210 Ca 0.35 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.62 2frm h SER 210 Cb 0.42 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2frm h SER 210 CO -0.30 0.34 -0.22 -1.28 -0.87 0.00 0.00 176.83 174.50 2frm h SER 211 N 0.57 0.00 1.21 4.97 0.87 -1.32 -2.24 113.55 117.62 2frm h SER 211 Ca 0.21 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.61 2frm h SER 211 Cb 0.11 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2frm h SER 211 CO -0.05 0.22 -0.75 -0.26 -0.53 0.00 0.00 176.83 175.45 2frm h PHE 212 N 0.00 0.00 -0.20 2.24 0.05 -0.48 -2.95 116.94 115.60 2frm h PHE 212 Ca -0.00 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 2frm h PHE 212 Cb 0.70 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.64 2frm h PHE 212 CO 0.00 0.75 0.10 0.82 -0.18 0.00 0.00 178.31 179.80 2frm h ILE 213 N 0.00 1.13 0.00 -0.55 1.08 -0.78 -1.58 117.51 116.80 2frm h ILE 213 Ca -0.01 -0.36 -0.07 0.00 -0.39 0.00 0.00 64.86 64.03 2frm h ILE 213 Cb 1.56 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 36.30 2frm h ILE 213 CO 0.10 0.12 -0.32 0.11 -0.69 0.00 0.00 178.15 177.47 2frm h LYS 214 N 0.20 0.00 -0.01 2.37 1.57 -1.55 -2.06 116.57 117.10 2frm h LYS 214 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2frm h LYS 214 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2frm h LYS 214 CO -0.01 0.32 -0.01 1.04 -0.57 0.00 0.00 179.45 180.22 2frm n GLN 215 N -3.73 1.31 -1.04 3.15 6.02 -1.07 -4.90 117.38 117.10 2frm n GLN 215 Ca -0.01 -0.50 -0.02 0.00 -0.01 0.00 0.00 57.00 56.47 2frm n GLN 215 Cb 0.42 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.18 2frm n GLN 215 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2frm n GLY 216 N 1.11 0.40 0.10 1.08 0.00 -0.77 -4.88 105.19 102.23 2frm n GLY 216 Ca 0.21 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2frm n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2frm n LEU 218 N -0.17 0.77 -3.57 0.99 4.77 -0.64 -4.85 117.00 114.29 2frm n LEU 218 Ca -0.02 0.58 -0.16 0.00 -0.03 0.00 0.00 56.01 56.38 2frm n LEU 218 Cb 0.25 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 2frm n LEU 218 CO 0.02 -0.19 0.41 -0.51 -1.33 0.00 0.00 177.39 175.79 2frm s ILE 219 N -3.11 0.00 0.24 -0.08 2.07 -1.20 -5.00 121.20 114.13 2frm s ILE 219 Ca 0.10 -0.02 0.08 0.00 -1.41 0.00 0.00 60.65 59.41 2frm s ILE 219 Cb 0.12 -0.97 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 2frm s ILE 219 CO 0.58 -0.01 0.08 0.42 -1.91 0.00 0.00 174.94 174.11 2frm s THR 220 N -0.64 3.94 0.30 4.00 -4.23 -1.26 -4.09 115.64 113.66 2frm s THR 220 Ca -0.07 -1.60 -0.01 0.00 -1.18 0.00 0.00 61.69 58.83 2frm s THR 220 Cb -0.02 -3.10 0.21 0.00 1.34 0.00 0.00 72.50 70.93 2frm s THR 220 CO 0.07 -0.31 1.90 -0.61 -0.54 0.00 0.00 174.62 175.13 2frm h GLN 221 N 1.87 0.90 -0.81 3.99 5.75 -1.98 -0.98 115.11 123.85 2frm h GLN 221 Ca -0.46 -0.12 0.05 0.00 -0.15 0.00 0.00 58.65 57.96 2frm h GLN 221 Cb 1.24 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 29.57 2frm h GLN 221 CO 0.60 0.70 0.53 1.49 -2.65 0.00 0.00 178.83 179.50 2frm h GLU 222 N 0.90 0.93 -0.34 1.69 4.81 -1.99 0.24 114.58 120.83 2frm h GLU 222 Ca 0.22 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 2frm h GLU 222 Cb 0.09 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2frm h GLU 222 CO -0.03 0.61 -0.33 1.96 -0.73 0.00 0.00 179.01 180.49 2frm h GLN 223 N 0.96 0.82 -0.63 1.92 4.20 -1.63 -1.75 115.11 118.99 2frm h GLN 223 Ca 0.33 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 2frm h GLN 223 Cb 0.11 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 2frm h GLN 223 CO -0.11 1.07 0.24 0.82 -0.67 0.00 0.00 178.83 180.18 2frm h ILE 225 N 0.60 1.22 -0.40 2.54 2.04 -0.05 -1.18 117.51 122.28 2frm h ILE 225 Ca 0.05 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 2frm h ILE 225 Cb 0.91 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2frm h ILE 225 CO 0.08 0.28 -0.05 0.44 0.00 0.00 0.00 178.15 178.91 2frm h ASP 226 N 0.90 0.65 -0.06 1.72 3.32 -0.35 -0.65 116.42 121.95 2frm h ASP 226 Ca 0.21 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2frm h ASP 226 Cb 0.19 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2frm h ASP 226 CO -0.02 0.75 0.01 1.05 -1.72 0.00 0.00 179.24 179.31 2frm h GLU 227 N 0.63 0.09 -0.64 3.56 -0.00 -0.54 -0.58 114.58 117.10 2frm h GLU 227 Ca 0.12 -0.02 0.03 0.00 -0.00 0.00 0.00 59.36 59.49 2frm h GLU 227 Cb 0.47 -0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 29.16 2frm h GLU 227 CO 0.02 0.31 0.39 0.82 -0.00 0.00 0.00 179.01 180.55 2frm h ILE 228 N -0.14 1.06 -0.44 -1.06 2.04 -0.94 0.47 117.51 118.51 2frm h ILE 228 Ca 0.02 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2frm h ILE 228 Cb 0.26 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2frm h ILE 228 CO 0.00 0.14 0.27 0.58 0.00 0.00 0.00 178.15 179.14 2frm h VAL 229 N 0.75 1.13 -0.48 1.67 2.07 -1.02 -0.99 116.25 119.39 2frm h VAL 229 Ca 0.26 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2frm h VAL 229 Cb 0.05 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2frm h VAL 229 CO -0.11 0.13 0.18 0.00 0.02 0.00 0.00 177.57 177.78 2frm h HIS 231 N 0.63 0.13 -1.00 0.00 6.17 0.25 -1.79 115.15 119.54 2frm h HIS 231 Ca 0.16 0.03 0.15 0.00 0.71 0.00 0.00 60.37 61.41 2frm h HIS 231 Cb 0.22 0.01 -0.09 0.00 2.52 0.00 0.00 27.41 30.06 2frm h HIS 231 CO 0.01 0.00 0.62 1.15 0.71 0.00 0.00 177.93 180.42 2frm h THR 232 N 0.21 0.84 -0.01 6.26 2.02 -0.91 0.12 112.91 121.44 2frm h THR 232 Ca 0.21 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.95 2frm h THR 232 Cb 0.27 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 2frm h THR 232 CO -0.28 0.17 -0.62 0.03 0.37 0.00 0.00 175.52 175.19 2frm h ARG 233 N 0.91 0.04 -0.01 6.66 3.08 -1.12 -3.32 114.38 120.63 2frm h ARG 233 Ca 0.53 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.55 2frm h ARG 233 Cb 0.63 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2frm h ARG 233 CO -0.31 0.64 -0.39 0.44 -1.07 0.00 0.00 179.97 179.28 2frm n ILE 234 N -3.82 0.00 -0.42 2.04 -5.35 -0.97 -4.63 119.36 106.22 2frm n ILE 234 Ca -0.01 -0.30 0.34 0.00 -0.27 0.00 0.00 62.75 62.50 2frm n ILE 234 Cb 0.61 1.10 0.62 0.00 -1.74 0.00 0.00 39.64 40.24 2frm n ILE 234 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2frm h ALA 235 N 2.15 2.62 -0.90 -1.28 0.00 -0.86 0.70 119.26 121.69 2frm h ALA 235 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2frm h ALA 235 Cb 0.40 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2frm h ALA 235 CO 0.00 -1.21 0.59 0.11 0.00 0.00 0.00 179.25 178.73 2frm h TRP 236 N 0.14 1.08 0.02 0.00 5.08 -1.83 -1.63 115.95 118.82 2frm h TRP 236 Ca 0.78 0.03 -0.21 0.00 1.08 0.00 0.00 58.89 60.56 2frm h TRP 236 Cb 2.36 -0.36 -0.02 0.00 -3.00 0.00 0.00 29.16 28.14 2frm h TRP 236 CO -0.01 0.62 -0.98 -0.22 -1.28 0.00 0.00 178.44 176.58 2frm h LYS 237 N 1.11 0.10 -0.66 0.12 3.64 0.05 -0.83 116.57 120.10 2frm h LYS 237 Ca 0.36 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2frm h LYS 237 Cb 0.03 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2frm h LYS 237 CO -0.11 0.99 0.42 1.49 -2.27 0.00 0.00 179.45 179.98 2frm h GLU 238 N 0.04 0.87 0.02 1.90 4.81 -0.73 0.22 114.58 121.71 2frm h GLU 238 Ca -0.04 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 2frm h GLU 238 Cb 1.68 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 30.87 2frm h GLU 238 CO 0.14 0.59 -0.29 0.28 -0.73 0.00 0.00 179.01 179.00 2frm h VAL 239 N 0.90 1.59 -0.56 0.32 2.07 -1.21 -3.24 116.25 116.12 2frm h VAL 239 Ca 0.24 -2.12 0.04 0.00 0.82 0.00 0.00 66.70 65.68 2frm h VAL 239 Cb -0.08 2.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 2frm h VAL 239 CO -0.05 0.58 0.32 0.00 0.02 0.00 0.00 177.57 178.43 2frm h ALA 240 N 0.18 0.73 -0.95 1.67 0.00 -0.86 -1.45 119.26 118.58 2frm h ALA 240 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2frm h ALA 240 Cb 1.11 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 2frm h ALA 240 CO 0.06 0.00 0.62 -0.44 0.00 0.00 0.00 179.25 179.49 2frm h ASP 240 N 0.61 0.95 -0.11 0.00 3.32 -0.69 -0.01 116.42 120.49 2frm h ASP 240 Ca 0.24 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 2frm h ASP 240 Cb 0.09 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2frm h ASP 240 CO -0.13 0.59 -0.32 0.78 -1.72 0.00 0.00 179.24 178.44 2frm h ASN 241 N 1.07 0.47 -0.05 6.45 4.21 -1.41 -3.19 115.58 123.13 2frm h ASN 241 Ca 0.42 -0.60 -0.04 0.00 1.21 0.00 0.00 56.30 57.29 2frm h ASN 241 Cb 0.24 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 2frm h ASN 241 CO -0.17 0.99 -0.08 -0.07 -1.29 0.00 0.00 177.43 176.81 2frm h LEU 242 N -0.02 0.27 0.00 1.61 3.38 -0.97 -3.46 115.31 116.12 2frm h LEU 242 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2frm h LEU 242 Cb 0.94 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2frm h LEU 242 CO 0.07 0.38 0.00 0.29 0.09 0.00 0.00 178.44 179.27 2frm n LYS 243 N -4.30 0.00 -1.44 1.13 5.02 -0.05 -4.54 118.16 113.99 2frm n LYS 243 Ca -0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 2frm n LYS 243 Cb 0.24 -0.15 0.10 0.00 -0.02 0.00 0.00 35.03 35.20 2frm n LYS 243 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2frm n THR 243 N 0.00 2.14 0.00 -0.18 -2.24 -1.26 -5.00 114.28 107.74 2frm n THR 243 Ca 0.00 -3.51 0.00 0.00 -2.27 0.00 0.00 64.05 58.27 2frm n THR 243 Cb 0.00 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 2frm n THR 243 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2frm n GLY 244 N -0.80 -0.49 3.83 3.38 0.00 -1.26 -5.06 105.19 104.80 2frm n GLY 244 Ca 0.28 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 2frm n GLY 244 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2frm s THR 245 N -2.00 2.00 0.39 2.61 -4.23 -1.26 -4.57 115.64 108.58 2frm s THR 245 Ca 0.00 -1.59 -0.25 0.00 -1.18 0.00 0.00 61.69 58.68 2frm s THR 245 Cb 0.00 -2.59 -0.12 0.00 1.34 0.00 0.00 72.50 71.14 2frm s THR 245 CO 0.00 0.00 0.90 0.00 -0.54 0.00 0.00 174.62 174.98 2frm n ALA 246 N -1.50 -0.32 0.00 3.99 0.00 -1.26 -4.92 120.51 116.51 2frm n ALA 246 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2frm n ALA 246 Cb 0.64 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2frm n ALA 246 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2frm n TYR 247 N -0.45 0.00 0.09 0.00 0.18 -1.26 -4.74 117.16 110.98 2frm n TYR 247 Ca 0.10 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.75 2frm n TYR 247 Cb 0.38 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.25 2frm n TYR 247 CO 0.00 0.00 0.00 0.74 -2.08 0.00 0.00 176.86 175.52 2frm h PHE 248 N 0.00 -0.19 -0.32 -3.48 -1.00 -1.91 -1.78 116.94 108.27 2frm h PHE 248 Ca 0.00 -0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 2frm h PHE 248 Cb 0.00 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 2frm h PHE 248 CO 0.00 0.09 -0.01 0.00 -1.61 0.00 0.00 178.31 176.78 2frm h ALA 249 N 0.34 0.43 -0.99 2.45 0.00 -2.00 -2.60 119.26 116.89 2frm h ALA 249 Ca -0.02 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.70 2frm h ALA 249 Cb 0.36 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2frm h ALA 249 CO 0.03 0.20 0.64 -1.35 0.00 0.00 0.00 179.25 178.77 2frm h PRO 250 N 0.36 1.15 -0.56 0.00 0.11 -1.85 -0.73 132.00 130.49 2frm h PRO 250 Ca 0.09 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2frm h PRO 250 Cb 0.46 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 2frm h PRO 250 CO 0.02 0.76 0.19 0.00 -0.21 0.00 0.00 178.00 178.76 2frm h ALA 251 N 1.45 0.73 -0.51 -0.75 0.00 -1.22 -2.59 119.26 116.37 2frm h ALA 251 Ca 0.42 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2frm h ALA 251 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2frm h ALA 251 CO -0.16 0.38 0.16 0.00 0.00 0.00 0.00 179.25 179.63 2frm h ALA 252 N 1.05 0.66 -0.88 0.00 0.00 -1.02 -2.33 119.26 116.75 2frm h ALA 252 Ca 0.18 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2frm h ALA 252 Cb 0.26 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2frm h ALA 252 CO -0.01 0.32 0.58 0.00 0.00 0.00 0.00 179.25 180.14 2frm h ALA 253 N 1.02 1.44 -0.33 0.00 0.00 -0.99 -0.40 119.26 120.01 2frm h ALA 253 Ca 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2frm h ALA 253 Cb 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2frm h ALA 253 CO -0.01 0.47 -0.06 0.00 0.00 0.00 0.00 179.25 179.65 2frm h ALA 254 N 1.48 0.45 -0.64 0.00 0.00 -1.23 -2.28 119.26 117.04 2frm h ALA 254 Ca 0.35 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2frm h ALA 254 Cb 0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2frm h ALA 254 CO -0.10 0.27 0.41 0.28 0.00 0.00 0.00 179.25 180.11 2frm h VAL 255 N 0.40 1.12 -0.91 0.00 2.07 -0.83 -0.12 116.25 118.00 2frm h VAL 255 Ca 0.08 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.41 2frm h VAL 255 Cb 0.55 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 2frm h VAL 255 CO 0.03 0.15 0.56 0.11 0.02 0.00 0.00 177.57 178.44 2frm h LYS 256 N 0.82 0.93 -0.27 1.57 1.79 -0.91 0.11 116.57 120.60 2frm h LYS 256 Ca 0.25 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.62 2frm h LYS 256 Cb -0.04 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.39 2frm h LYS 256 CO -0.08 0.62 0.01 0.52 -1.08 0.00 0.00 179.45 179.44 2frm h MET 257 N 0.96 0.47 -0.78 3.15 2.86 -0.64 -1.96 114.93 118.99 2frm h MET 257 Ca 0.42 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 2frm h MET 257 Cb 0.30 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 2frm h MET 257 CO -0.22 0.62 0.44 0.00 1.06 0.00 0.00 176.91 178.81 2frm h ALA 258 N 0.83 1.30 -0.47 6.32 0.00 -0.30 -2.27 119.26 124.68 2frm h ALA 258 Ca 0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2frm h ALA 258 Cb 0.40 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2frm h ALA 258 CO 0.01 0.58 -0.08 0.93 0.00 0.00 0.00 179.25 180.68 2frm h GLU 259 N 1.09 0.84 -0.92 0.00 5.08 -0.66 0.15 114.58 120.15 2frm h GLU 259 Ca 0.28 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2frm h GLU 259 Cb 0.00 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 2frm h GLU 259 CO -0.05 0.89 0.61 0.00 -1.00 0.00 0.00 179.01 179.46 2frm h ALA 260 N 1.14 1.16 0.09 3.43 0.00 -0.80 -0.05 119.26 124.25 2frm h ALA 260 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2frm h ALA 260 Cb 0.58 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2frm h ALA 260 CO 0.04 0.57 -0.05 -0.92 0.00 0.00 0.00 179.25 178.89 2frm h TYR 261 N 1.25 -0.12 -0.72 0.00 3.20 -1.07 -1.92 116.97 117.59 2frm h TYR 261 Ca 0.34 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.29 2frm h TYR 261 Cb -0.14 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 2frm h TYR 261 CO -0.01 0.40 0.47 -0.07 -1.64 0.00 0.00 178.16 177.31 2frm h LEU 262 N -0.88 0.59 -2.23 2.82 3.38 -0.66 -2.17 115.31 116.16 2frm h LEU 262 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2frm h LEU 262 Cb 0.57 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2frm h LEU 262 CO 0.02 0.37 0.00 0.29 0.09 0.00 0.00 178.44 179.21 2frm n LYS 263 N -4.49 2.46 -3.92 1.13 4.76 -0.04 -4.97 118.16 113.09 2frm n LYS 263 Ca 0.11 -2.20 -0.27 0.00 -2.87 0.00 0.00 58.31 53.09 2frm n LYS 263 Cb 0.30 -1.51 -0.00 0.00 -1.84 0.00 0.00 35.03 31.98 2frm n LYS 263 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2frm n ASP 264 N 1.43 -1.76 0.21 4.39 2.03 -0.82 -4.87 116.55 117.16 2frm n ASP 264 Ca 0.19 -0.92 0.05 0.00 0.52 0.00 0.00 54.79 54.62 2frm n ASP 264 Cb 0.60 -3.41 0.46 0.00 -0.72 0.00 0.00 41.12 38.05 2frm n ASP 264 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2frm h LYS 265 N -1.84 0.00 -3.92 -0.67 1.57 -1.54 -3.44 116.57 106.74 2frm h LYS 265 Ca -0.61 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 57.93 2frm h LYS 265 Cb 1.37 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.77 2frm h LYS 265 CO 0.64 0.25 -0.41 1.63 -0.57 0.00 0.00 179.45 180.99 2frm n LYS 266 N -4.20 -4.74 -3.29 3.15 4.01 -0.52 -4.98 118.16 107.58 2frm n LYS 266 Ca -0.02 0.50 -0.32 0.00 -0.51 0.00 0.00 58.31 57.96 2frm n LYS 266 Cb 0.30 -4.53 -0.05 0.00 -0.51 0.00 0.00 35.03 30.24 2frm n LYS 266 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2frm s ALA 267 N -3.19 3.48 -0.45 7.82 0.00 -0.87 -4.75 121.76 123.79 2frm s ALA 267 Ca 0.33 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 2frm s ALA 267 Cb -0.15 -2.55 0.03 0.00 0.00 0.00 0.00 23.12 20.45 2frm s ALA 267 CO 0.44 0.41 1.13 0.08 0.00 0.00 0.00 175.76 177.82 2frm s VAL 268 N -1.92 4.25 -0.23 0.00 1.01 -1.26 -1.06 120.40 121.20 2frm s VAL 268 Ca 0.50 1.31 -0.00 0.00 0.00 0.00 0.00 61.98 63.78 2frm s VAL 268 Cb -0.11 -4.58 0.06 0.00 0.00 0.00 0.00 36.38 31.76 2frm s VAL 268 CO 0.21 -0.93 -0.03 -0.69 0.00 0.00 0.00 175.10 173.66 2frm s VAL 269 N 4.33 1.28 -0.23 2.92 1.01 0.18 -4.94 120.40 124.95 2frm s VAL 269 Ca 0.48 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 2frm s VAL 269 Cb -0.08 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.69 2frm s VAL 269 CO 0.29 -0.14 1.05 -2.16 0.00 0.00 0.00 175.10 174.14 2frm s PRO 270 N 1.51 4.25 0.35 2.72 0.04 -1.26 -1.04 135.00 141.57 2frm s PRO 270 Ca -0.04 1.36 -0.08 0.00 0.04 0.00 0.00 61.00 62.28 2frm s PRO 270 Cb -0.18 -3.65 0.02 0.00 0.04 0.00 0.00 34.50 30.73 2frm s PRO 270 CO -0.07 -0.64 0.58 0.00 0.04 0.00 0.00 177.00 176.91 2frm s SER 272 N -3.16 6.22 0.15 0.00 0.15 -0.68 -1.27 113.70 115.12 2frm s SER 272 Ca 0.25 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.60 2frm s SER 272 Cb -0.02 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2frm s SER 272 CO 0.16 -1.74 -0.13 0.00 1.20 0.00 0.00 173.24 172.73 2frm s ALA 273 N 5.48 1.62 -0.46 5.45 0.00 -0.91 -0.21 121.76 132.73 2frm s ALA 273 Ca 0.36 -1.45 -0.28 0.00 0.00 0.00 0.00 51.96 50.59 2frm s ALA 273 Cb -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2frm s ALA 273 CO 0.17 0.03 1.64 0.12 0.00 0.00 0.00 175.76 177.73 2frm s PHE 274 N -2.72 2.01 -0.14 0.00 2.19 -1.26 -1.93 117.98 116.13 2frm s PHE 274 Ca 0.15 0.64 -0.11 0.00 0.33 0.00 0.00 56.93 57.94 2frm s PHE 274 Cb -0.02 -4.22 -0.05 0.00 -1.31 0.00 0.00 43.02 37.43 2frm s PHE 274 CO 0.03 -2.38 0.21 0.00 1.83 0.00 0.00 175.22 174.91 2frm n SER 276 N 2.88 3.07 -1.65 0.00 3.41 -1.25 -2.41 113.62 117.67 2frm n SER 276 Ca -0.16 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.46 2frm n SER 276 Cb 0.53 0.39 0.07 0.00 -0.26 0.00 0.00 64.21 64.94 2frm n SER 276 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2frm n ASN 277 N -1.28 1.61 -3.96 4.04 6.94 -1.26 -4.27 115.26 117.08 2frm n ASN 277 Ca 0.00 -2.55 -0.09 0.00 -0.02 0.00 0.00 54.58 51.92 2frm n ASN 277 Cb 0.22 -0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 37.15 2frm n ASN 277 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2frm s HIS 278 N -1.79 0.24 -1.55 -2.53 3.76 -1.26 -4.89 115.29 107.28 2frm s HIS 278 Ca 0.35 -0.56 -0.02 0.00 -0.15 0.00 0.00 55.06 54.68 2frm s HIS 278 Cb 0.37 -0.18 0.01 0.00 1.11 0.00 0.00 32.58 33.89 2frm s HIS 278 CO -0.10 -0.32 0.26 0.66 -0.85 0.00 0.00 174.74 174.38 2frm n TYR 279 N 0.91 -1.48 -0.65 1.40 4.02 -1.26 -2.54 117.16 117.56 2frm n TYR 279 Ca -0.20 0.22 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 2frm n TYR 279 Cb 0.58 -3.88 0.00 0.00 -0.02 0.00 0.00 39.34 36.01 2frm n TYR 279 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2frm n GLY 280 N -1.18 0.42 3.96 2.72 0.00 -1.26 -4.98 105.19 104.86 2frm n GLY 280 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 2frm n GLY 280 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2frm s VAL 281 N -2.10 3.95 -0.26 1.61 -7.23 -1.05 -5.06 120.40 110.25 2frm s VAL 281 Ca 0.00 -0.53 -0.14 0.00 -1.81 0.00 0.00 61.98 59.51 2frm s VAL 281 Cb 0.00 -3.45 -0.11 0.00 0.56 0.00 0.00 36.38 33.37 2frm s VAL 281 CO 0.00 -0.31 -0.35 1.17 -0.31 0.00 0.00 175.10 175.30 2frm n LYS 282 N -2.07 0.56 -2.72 4.82 3.00 -1.26 -4.18 118.16 116.32 2frm n LYS 282 Ca 0.02 0.25 -0.04 0.00 -0.00 0.00 0.00 58.31 58.53 2frm n LYS 282 Cb 0.58 -1.45 0.03 0.00 0.00 0.00 0.00 35.03 34.19 2frm n LYS 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2frm n GLY 283 N 1.33 -1.03 3.21 3.14 0.00 -1.21 -3.92 105.19 106.71 2frm n GLY 283 Ca -0.50 0.78 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 2frm n GLY 283 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2frm s ILE 285 N 0.82 0.12 0.18 -0.61 -0.00 -1.01 -4.95 121.20 115.76 2frm s ILE 285 Ca 0.27 -1.02 -0.30 0.00 -0.00 0.00 0.00 60.65 59.61 2frm s ILE 285 Cb 0.09 -1.16 -0.08 0.00 -0.00 0.00 0.00 42.46 41.31 2frm s ILE 285 CO -0.10 -0.56 1.13 -0.31 -0.00 0.00 0.00 174.94 175.10 2frm s TYR 286 N -3.33 3.54 -0.09 1.37 1.51 -1.26 -1.96 117.35 117.13 2frm s TYR 286 Ca 0.01 1.55 -0.30 0.00 -1.01 0.00 0.00 57.07 57.32 2frm s TYR 286 Cb 0.02 -3.32 0.10 0.00 -0.11 0.00 0.00 41.96 38.66 2frm s TYR 286 CO -0.08 -0.77 0.86 0.00 -1.11 0.00 0.00 175.55 174.45 2frm s MET 287 N -0.34 0.80 -0.20 -0.62 0.23 -0.81 -4.89 119.30 113.47 2frm s MET 287 Ca 0.50 0.10 -0.29 0.00 -1.03 0.00 0.00 55.69 54.97 2frm s MET 287 Cb -0.30 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.33 2frm s MET 287 CO 0.35 -0.27 1.95 0.20 -2.03 0.00 0.00 175.02 175.22 2frm s GLY 288 N -1.39 0.89 0.06 3.16 0.00 -0.84 -2.15 107.32 107.06 2frm s GLY 288 Ca -0.04 0.70 -0.04 0.00 0.00 0.00 0.00 44.72 45.34 2frm s GLY 288 CO 0.02 3.45 0.06 -1.34 0.00 0.00 0.00 173.10 175.30 2frm s VAL 289 N 6.64 0.18 -0.72 1.40 -7.23 -0.40 -1.43 120.40 118.85 2frm s VAL 289 Ca 0.88 -1.48 -0.27 0.00 -1.81 0.00 0.00 61.98 59.29 2frm s VAL 289 Cb -0.31 -1.36 0.03 0.00 0.56 0.00 0.00 36.38 35.31 2frm s VAL 289 CO 0.35 -0.82 1.30 -2.84 -0.31 0.00 0.00 175.10 172.78 2frm s PRO 290 N -3.69 3.20 0.40 4.82 0.02 -1.26 -1.73 135.00 136.75 2frm s PRO 290 Ca 0.04 -0.15 0.04 0.00 0.02 0.00 0.00 61.00 60.95 2frm s PRO 290 Cb 0.05 -4.17 -0.00 0.00 0.02 0.00 0.00 34.50 30.40 2frm s PRO 290 CO -0.10 -2.13 0.58 0.95 -0.33 0.00 0.00 177.00 175.98 2frm s THR 291 N 5.82 3.82 -0.25 0.99 -4.23 -0.20 0.68 115.64 122.27 2frm s THR 291 Ca 0.37 -0.78 -0.03 0.00 -1.18 0.00 0.00 61.69 60.07 2frm s THR 291 Cb -0.08 -3.36 0.01 0.00 1.34 0.00 0.00 72.50 70.41 2frm s THR 291 CO 0.16 -0.19 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.39 2frm s ILE 292 N -2.39 3.26 -0.09 2.99 -1.09 -0.07 0.47 121.20 124.29 2frm s ILE 292 Ca 0.48 -0.76 -0.00 0.00 -2.23 0.00 0.00 60.65 58.13 2frm s ILE 292 Cb -0.10 -2.60 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 2frm s ILE 292 CO 0.34 0.26 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.63 2frm s ILE 293 N 1.42 3.76 0.00 2.92 1.01 -0.23 -0.69 121.20 129.39 2frm s ILE 293 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.24 2frm s ILE 293 Cb -0.16 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.74 2frm s ILE 293 CO -0.03 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2frm n GLY 294 N 2.56 4.01 0.40 6.18 0.00 -0.56 -1.44 105.19 116.34 2frm n GLY 294 Ca -0.18 -1.02 0.22 0.00 0.00 0.00 0.00 46.02 45.04 2frm n GLY 294 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2frm h LYS 295 N 0.00 0.00 -0.64 1.61 3.64 -1.78 -0.06 116.57 119.34 2frm h LYS 295 Ca 0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 2frm h LYS 295 Cb 0.00 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.71 2frm h LYS 295 CO 0.00 0.00 0.20 0.09 -2.27 0.00 0.00 179.45 177.47 2frm n ASN 296 N -4.06 4.54 0.00 4.20 3.02 -1.26 -5.03 115.26 116.66 2frm n ASN 296 Ca 0.10 -3.24 0.00 0.00 -0.03 0.00 0.00 54.58 51.41 2frm n ASN 296 Cb 0.68 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2frm n ASN 296 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2frm n GLY 297 N -0.27 0.66 3.62 7.41 0.00 -0.04 -4.58 105.19 111.99 2frm n GLY 297 Ca 0.37 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 2frm n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2frm s VAL 298 N 0.00 3.75 -0.32 1.61 1.01 0.20 -1.50 120.40 125.16 2frm s VAL 298 Ca 0.00 0.83 0.17 0.00 0.00 0.00 0.00 61.98 62.98 2frm s VAL 298 Cb 0.00 -3.81 -0.23 0.00 0.00 0.00 0.00 36.38 32.34 2frm s VAL 298 CO 0.00 -0.37 0.50 -0.62 0.00 0.00 0.00 175.10 174.61 2frm n GLU 299 N 7.73 0.93 -3.76 2.72 1.02 0.13 -4.79 120.64 124.61 2frm n GLU 299 Ca 0.18 -0.09 -0.03 0.00 -0.02 0.00 0.00 57.16 57.20 2frm n GLU 299 Cb 0.46 -1.35 -0.01 0.00 -0.02 0.00 0.00 31.44 30.51 2frm n GLU 299 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2frm s ASP 301 N -3.41 -0.16 -0.04 1.62 -1.08 -1.17 -4.97 116.67 107.46 2frm s ASP 301 Ca -0.01 -0.41 0.00 0.00 -0.52 0.00 0.00 52.55 51.61 2frm s ASP 301 Cb 0.11 0.48 0.03 0.00 -1.46 0.00 0.00 42.92 42.08 2frm s ASP 301 CO 0.69 -0.89 -0.01 -0.63 0.52 0.00 0.00 175.17 174.86 2frm s ILE 302 N -3.20 0.26 0.29 4.11 1.01 -1.26 -0.89 121.20 121.51 2frm s ILE 302 Ca 0.13 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.64 2frm s ILE 302 Cb -0.01 -0.36 -0.09 0.00 0.01 0.00 0.00 42.46 42.01 2frm s ILE 302 CO 0.02 0.18 0.80 -0.76 0.00 0.00 0.00 174.94 175.19 2frm s LEU 303 N 1.21 4.25 -0.36 2.97 1.02 0.21 -4.99 118.68 122.99 2frm s LEU 303 Ca -0.07 1.52 -0.05 0.00 0.02 0.00 0.00 54.13 55.55 2frm s LEU 303 Cb -0.13 -3.88 0.06 0.00 0.02 0.00 0.00 46.19 42.26 2frm s LEU 303 CO -0.02 -0.07 0.14 -0.70 0.02 0.00 0.00 176.35 175.71 2frm s GLU 304 N -2.29 2.46 0.67 1.70 2.12 -1.26 -4.38 118.70 117.71 2frm s GLU 304 Ca 0.49 -1.38 -0.11 0.00 0.36 0.00 0.00 54.97 54.32 2frm s GLU 304 Cb -0.15 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 2frm s GLU 304 CO 0.20 -0.80 1.06 -0.51 -0.54 0.00 0.00 175.26 174.67 2frm s LEU 305 N 1.33 3.07 -0.55 2.70 1.02 -1.26 -5.01 118.68 119.97 2frm s LEU 305 Ca 0.01 1.35 -0.22 0.00 0.02 0.00 0.00 54.13 55.29 2frm s LEU 305 Cb -0.21 -4.27 0.05 0.00 0.02 0.00 0.00 46.19 41.78 2frm s LEU 305 CO 0.00 -1.17 0.83 -1.81 0.02 0.00 0.00 176.35 174.23 2frm s ASP 306 N -4.16 6.27 -0.26 2.29 -0.00 -1.26 -5.02 116.67 114.52 2frm s ASP 306 Ca 0.57 -0.67 -0.11 0.00 -0.00 0.00 0.00 52.55 52.33 2frm s ASP 306 Cb -0.12 -2.38 -0.05 0.00 -0.00 0.00 0.00 42.92 40.37 2frm s ASP 306 CO 0.53 -1.15 0.19 -0.76 -0.00 0.00 0.00 175.17 173.99 2frm s LEU 307 N 3.49 4.07 0.72 1.23 1.02 -1.26 -4.72 118.68 123.23 2frm s LEU 307 Ca 0.23 0.08 -0.16 0.00 0.02 0.00 0.00 54.13 54.31 2frm s LEU 307 Cb -0.16 -2.14 0.03 0.00 0.02 0.00 0.00 46.19 43.94 2frm s LEU 307 CO 0.15 -0.01 1.23 0.42 0.02 0.00 0.00 176.35 178.17 2frm s THR 308 N 1.45 2.15 0.38 5.49 -4.23 -1.26 -4.68 115.64 114.95 2frm s THR 308 Ca 0.08 0.08 0.22 0.00 -1.18 0.00 0.00 61.69 60.89 2frm s THR 308 Cb -0.15 -2.74 0.39 0.00 1.34 0.00 0.00 72.50 71.34 2frm s THR 308 CO 0.08 -0.04 1.62 -0.65 -0.54 0.00 0.00 174.62 175.09 2frm h PRO 309 N -0.17 0.11 -0.20 3.99 0.11 -2.00 0.28 132.00 134.12 2frm h PRO 309 Ca -0.48 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 2frm h PRO 309 Cb 1.31 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2frm h PRO 309 CO 0.50 0.07 -0.45 1.25 -0.21 0.00 0.00 178.00 179.16 2frm h LEU 310 N 0.11 0.55 -1.04 2.35 6.46 -2.00 -2.62 115.31 119.12 2frm h LEU 310 Ca 0.81 -0.26 -0.09 0.00 -0.12 0.00 0.00 57.88 58.23 2frm h LEU 310 Cb 2.20 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.96 2frm h LEU 310 CO -0.62 0.93 -0.23 -0.33 -0.62 0.00 0.00 178.44 177.57 2frm h GLU 311 N 0.41 0.40 -0.27 1.25 5.08 -0.77 -1.98 114.58 118.70 2frm h GLU 311 Ca 0.03 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2frm h GLU 311 Cb 0.96 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2frm h GLU 311 CO 0.08 0.61 0.08 1.96 -1.00 0.00 0.00 179.01 180.74 2frm h GLN 312 N 0.36 0.42 -0.14 2.33 1.08 -1.21 0.16 115.11 118.11 2frm h GLN 312 Ca 0.06 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.19 2frm h GLN 312 Cb 0.61 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 2frm h GLN 312 CO 0.04 0.50 -0.04 0.87 -0.95 0.00 0.00 178.83 179.26 2frm h LYS 313 N 0.27 -0.01 0.06 1.46 1.57 -1.15 1.24 116.57 120.01 2frm h LYS 313 Ca 0.09 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2frm h LYS 313 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2frm h LYS 313 CO -0.00 -0.00 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.72 2frm h LEU 314 N -0.01 -0.21 0.36 2.94 3.38 -1.21 0.48 115.31 121.04 2frm h LEU 314 Ca 0.07 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2frm h LEU 314 Cb 0.11 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2frm h LEU 314 CO -0.15 -0.12 -0.17 0.25 0.09 0.00 0.00 178.44 178.34 2frm h LEU 315 N -0.17 -0.41 -0.64 1.67 5.85 -0.30 0.46 115.31 121.77 2frm h LEU 315 Ca 0.01 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.88 2frm h LEU 315 Cb 0.17 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.21 2frm h LEU 315 CO -0.04 -0.29 0.04 1.23 -0.34 0.00 0.00 178.44 179.04 2frm h GLY 316 N -0.49 0.73 0.84 3.75 0.00 0.18 0.33 103.07 108.40 2frm h GLY 316 Ca -0.05 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.37 2frm h GLY 316 CO 0.08 -0.20 0.42 0.83 0.00 0.00 0.00 176.54 177.68 2frm h GLU 317 N 0.15 0.79 -0.54 4.80 5.08 0.45 -1.63 114.58 123.68 2frm h GLU 317 Ca 0.34 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2frm h GLU 317 Cb 0.56 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2frm h GLU 317 CO -0.52 0.53 0.23 1.03 -1.00 0.00 0.00 179.01 179.27 2frm h SER 318 N 0.82 0.74 -0.97 1.42 0.87 0.15 -2.66 113.55 113.91 2frm h SER 318 Ca 0.28 -0.16 0.10 0.00 -1.23 0.00 0.00 61.79 60.78 2frm h SER 318 Cb 0.05 -0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 61.75 2frm h SER 318 CO -0.12 0.69 0.62 0.40 -0.53 0.00 0.00 176.83 177.89 2frm h ILE 319 N 0.73 0.98 -0.54 2.23 1.08 0.30 -2.58 117.51 119.72 2frm h ILE 319 Ca 0.18 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.26 2frm h ILE 319 Cb 0.18 -0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.78 2frm h ILE 319 CO -0.02 0.19 0.17 0.78 -0.69 0.00 0.00 178.15 178.58 2frm h ASN 320 N 1.02 0.78 0.27 1.72 2.35 -0.97 -2.55 115.58 118.20 2frm h ASN 320 Ca 0.45 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2frm h ASN 320 Cb 0.37 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2frm h ASN 320 CO -0.21 0.78 0.00 -0.08 -1.65 0.00 0.00 177.43 176.27 2frm h GLU 321 N 0.75 0.00 0.06 0.81 4.81 -1.34 -2.22 114.58 117.45 2frm h GLU 321 Ca 0.17 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2frm h GLU 321 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2frm h GLU 321 CO -0.01 0.00 -0.03 0.28 -0.73 0.00 0.00 179.01 178.52 2frm h VAL 322 N 0.00 1.24 -0.34 0.32 2.07 -1.40 -1.17 116.25 116.98 2frm h VAL 322 Ca 0.00 -1.47 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 2frm h VAL 322 Cb 0.14 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2frm h VAL 322 CO 0.00 0.34 0.05 0.78 0.02 0.00 0.00 177.57 178.77 2frm h ASN 323 N -0.79 0.46 0.26 0.57 2.35 -1.47 0.15 115.58 117.11 2frm h ASN 323 Ca -0.01 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2frm h ASN 323 Cb 0.63 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2frm h ASN 323 CO 0.01 0.49 -0.12 0.71 -1.65 0.00 0.00 177.43 176.87 2frm h THR 324 N 0.49 0.00 -0.05 2.81 1.35 -1.47 -3.25 112.91 112.79 2frm h THR 324 Ca 0.11 -0.36 0.01 0.00 -0.55 0.00 0.00 66.41 65.62 2frm h THR 324 Cb 0.24 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.66 2frm h THR 324 CO 0.00 0.00 0.09 0.40 -0.25 0.00 0.00 175.52 175.76 2frm h ILE 325 N -0.71 0.32 0.00 6.82 2.04 -1.23 -2.48 117.51 122.27 2frm h ILE 325 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2frm h ILE 325 Cb 0.26 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2frm h ILE 325 CO 0.06 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 176.67 2frm n SER 326 N -3.54 0.97 -2.10 1.72 3.41 0.54 -3.67 113.62 110.94 2frm n SER 326 Ca -0.02 -0.66 -0.25 0.00 -0.26 0.00 0.00 58.87 57.68 2frm n SER 326 Cb 0.17 -0.17 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 2frm n SER 326 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2frm n LYS 327 N 0.82 2.24 0.00 4.33 4.81 -0.94 -4.31 118.16 125.10 2frm n LYS 327 Ca 0.00 -2.49 0.00 0.00 -0.87 0.00 0.00 58.31 54.95 2frm n LYS 327 Cb 0.16 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.24 2frm n LYS 327 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2frm n VAL 328 N -0.43 0.00 -3.66 3.15 0.31 -1.24 -4.29 118.33 112.17 2frm n VAL 328 Ca 0.48 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.43 2frm n VAL 328 Cb 0.76 -0.09 -0.09 0.00 -0.91 0.00 0.00 33.84 33.51 2frm n VAL 328 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2frm s LEU 329 N -0.90 5.48 0.00 7.52 2.96 -1.26 -4.99 118.68 127.49 2frm s LEU 329 Ca 0.00 -2.51 0.00 0.00 -0.22 0.00 0.00 54.13 51.40 2frm s LEU 329 Cb 0.00 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.78 2frm s LEU 329 CO 0.00 -0.48 0.00 0.47 -1.32 0.00 0.00 176.35 175.02