#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 5.07 -0.01 3.17 -1.09 -1.26 -5.06 121.20 122.02 2frm s ILE 18 Ca 0.00 1.08 0.01 0.00 -2.23 0.00 0.00 60.65 59.51 2frm s ILE 18 Cb 0.00 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 2frm s ILE 18 CO 0.00 0.37 -0.05 -1.61 -1.23 0.00 0.00 174.94 172.43 2frm s GLU 19 N 0.22 0.48 0.37 2.79 2.02 -1.26 -5.12 118.70 118.21 2frm s GLU 19 Ca 0.28 -0.15 -0.28 0.00 0.02 0.00 0.00 54.97 54.84 2frm s GLU 19 Cb -0.16 -0.48 -0.11 0.00 0.10 0.00 0.00 34.13 33.47 2frm s GLU 19 CO 0.13 0.06 1.50 1.03 0.02 0.00 0.00 175.26 178.01 2frm s ARG 20 N 0.13 4.09 0.58 1.61 0.52 -1.26 -4.92 118.95 119.70 2frm s ARG 20 Ca -0.01 2.60 -0.19 0.00 -0.52 0.00 0.00 55.73 57.60 2frm s ARG 20 Cb -0.05 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 2frm s ARG 20 CO -0.00 -0.56 1.20 1.03 0.02 0.00 0.00 175.30 176.98 2frm s ARG 21 N -2.02 3.08 -0.08 3.54 1.81 -1.26 -4.86 118.95 119.15 2frm s ARG 21 Ca 0.54 1.80 0.01 0.00 -1.72 0.00 0.00 55.73 56.36 2frm s ARG 21 Cb -0.47 -1.97 0.02 0.00 -0.45 0.00 0.00 34.95 32.08 2frm s ARG 21 CO 0.63 -1.12 -0.08 0.21 -0.68 0.00 0.00 175.30 174.26 2frm s LYS 22 N -3.28 1.41 -0.15 3.54 2.20 -1.26 -0.98 119.74 121.21 2frm s LYS 22 Ca 0.76 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 56.11 2frm s LYS 22 Cb -0.30 -1.33 0.00 0.00 -1.51 0.00 0.00 37.83 34.70 2frm s LYS 22 CO 0.32 -0.11 -0.18 0.42 -0.36 0.00 0.00 175.35 175.45 2frm s ILE 23 N 1.13 2.43 -0.20 5.43 1.01 -0.35 -0.46 121.20 130.20 2frm s ILE 23 Ca -0.06 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 2frm s ILE 23 Cb -0.14 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2frm s ILE 23 CO -0.01 0.53 0.07 0.00 0.00 0.00 0.00 174.94 175.52 2frm s ALA 24 N 0.83 3.34 -0.29 9.38 0.00 -0.06 -1.57 121.76 133.39 2frm s ALA 24 Ca -0.06 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 2frm s ALA 24 Cb -0.15 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.01 2frm s ALA 24 CO -0.01 -0.02 0.06 0.08 0.00 0.00 0.00 175.76 175.87 2frm s VAL 25 N 0.75 3.77 -0.41 0.00 1.01 0.10 -0.53 120.40 125.09 2frm s VAL 25 Ca 0.04 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 2frm s VAL 25 Cb -0.13 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2frm s VAL 25 CO 0.02 0.07 0.69 -0.63 0.00 0.00 0.00 175.10 175.25 2frm s ILE 26 N 1.46 4.80 0.00 2.22 -1.09 0.10 -0.95 121.20 127.74 2frm s ILE 26 Ca 0.02 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 2frm s ILE 26 Cb -0.17 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 2frm s ILE 26 CO 0.01 -0.51 0.00 0.61 -1.23 0.00 0.00 174.94 173.82 2frm n GLY 27 N 4.85 2.31 1.52 6.18 0.00 0.99 -0.60 105.19 120.44 2frm n GLY 27 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2frm n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2frm n SER 28 N 0.00 4.04 -2.46 1.61 2.88 -1.25 -4.07 113.62 114.37 2frm n SER 28 Ca 0.00 -2.72 0.00 0.00 -1.33 0.00 0.00 58.87 54.82 2frm n SER 28 Cb 0.00 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 2frm n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2frm n GLY 29 N 0.21 -2.29 0.23 0.46 0.00 -1.26 -4.53 105.19 98.01 2frm n GLY 29 Ca 0.23 -1.47 -0.04 0.00 0.00 0.00 0.00 46.02 44.74 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 0.66 -0.20 1.61 4.20 -1.98 -0.85 115.11 118.55 2frm h GLN 30 Ca 0.00 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 2frm h GLN 30 Cb 0.00 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2frm h GLN 30 CO 0.00 0.44 0.00 0.82 -0.67 0.00 0.00 178.83 179.42 2frm h ILE 31 N 0.68 1.25 -0.51 2.54 2.04 -1.92 -2.63 117.51 118.97 2frm h ILE 31 Ca 0.24 -0.85 0.05 0.00 1.00 0.00 0.00 64.86 65.30 2frm h ILE 31 Cb 0.05 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 2frm h ILE 31 CO -0.12 0.26 0.24 1.23 0.00 0.00 0.00 178.15 179.76 2frm h GLY 32 N 0.11 0.70 0.85 5.37 0.00 -1.65 -1.17 103.07 107.29 2frm h GLY 32 Ca 0.06 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.25 2frm h GLY 32 CO 0.01 0.08 0.07 -1.33 0.00 0.00 0.00 176.54 175.37 2frm h GLY 33 N 0.46 0.23 1.97 4.60 0.00 -1.10 -2.09 103.07 107.14 2frm h GLY 33 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 2frm h GLY 33 CO -0.18 0.03 -0.27 3.43 0.00 0.00 0.00 176.54 179.55 2frm h ASN 35 N 0.16 0.04 0.23 0.19 -0.26 -1.17 -1.29 115.58 113.48 2frm h ASN 35 Ca 0.08 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 2frm h ASN 35 Cb 0.05 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 2frm h ASN 35 CO -0.08 0.31 -0.11 0.40 -1.06 0.00 0.00 177.43 176.89 2frm h ILE 36 N 0.04 0.84 -0.82 2.81 2.04 -0.80 -0.97 117.51 120.65 2frm h ILE 36 Ca 0.00 -0.45 0.14 0.00 1.00 0.00 0.00 64.86 65.55 2frm h ILE 36 Cb 0.50 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.59 2frm h ILE 36 CO 0.04 0.10 0.40 0.00 0.00 0.00 0.00 178.15 178.69 2frm h ALA 37 N 0.17 1.21 0.09 1.87 0.00 -1.11 0.17 119.26 121.66 2frm h ALA 37 Ca -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2frm h ALA 37 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2frm h ALA 37 CO 0.05 -0.11 -0.04 -0.92 0.00 0.00 0.00 179.25 178.23 2frm h TYR 38 N 0.58 -0.11 -0.14 0.00 3.20 -1.02 -1.10 116.97 118.38 2frm h TYR 38 Ca 0.44 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.30 2frm h TYR 38 Cb 0.63 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2frm h TYR 38 CO -0.11 -0.01 0.03 0.82 -1.64 0.00 0.00 178.16 177.24 2frm h ILE 39 N -0.18 1.21 -0.24 1.81 1.08 -0.56 0.14 117.51 120.77 2frm h ILE 39 Ca -0.01 -0.68 0.04 0.00 -0.39 0.00 0.00 64.86 63.82 2frm h ILE 39 Cb 0.15 1.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 2frm h ILE 39 CO 0.02 0.20 -0.01 0.58 -0.69 0.00 0.00 178.15 178.25 2frm h VAL 40 N 0.01 0.82 -0.39 1.67 2.07 -0.67 -0.25 116.25 119.51 2frm h VAL 40 Ca 0.04 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 2frm h VAL 40 Cb 0.29 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2frm h VAL 40 CO 0.00 0.01 0.13 1.23 0.02 0.00 0.00 177.57 178.97 2frm h GLY 41 N 0.06 0.65 0.72 2.17 0.00 -1.13 -1.31 103.07 104.22 2frm h GLY 41 Ca 0.11 -0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.15 2frm h GLY 41 CO -0.20 0.35 0.61 1.70 0.00 0.00 0.00 176.54 179.01 2frm h LYS 42 N 0.49 1.01 -0.00 4.80 3.64 -0.17 -0.71 116.57 125.62 2frm h LYS 42 Ca 0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2frm h LYS 42 Cb 0.24 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2frm h LYS 42 CO -0.01 0.67 -0.17 -0.25 -2.27 0.00 0.00 179.45 177.42 2frm n ASP 43 N -4.52 0.38 -3.13 4.20 8.00 -0.15 -4.80 116.55 116.52 2frm n ASP 43 Ca 0.16 -0.25 -0.23 0.00 0.71 0.00 0.00 54.79 55.18 2frm n ASP 43 Cb 0.25 -0.10 0.03 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.20 -5.68 0.16 -2.24 5.15 -0.27 -4.88 115.26 106.29 2frm n ASN 44 Ca 0.11 -0.33 0.02 0.00 -0.60 0.00 0.00 54.58 53.78 2frm n ASN 44 Cb 0.31 -4.60 0.23 0.00 -0.53 0.00 0.00 39.78 35.19 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 -1.40 0.00 -7.46 1.20 5.85 -1.69 -3.48 115.31 108.33 2frm h LEU 45 Ca -0.52 0.00 0.38 0.00 0.84 0.00 0.00 57.88 58.58 2frm h LEU 45 Cb 1.35 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.27 2frm h LEU 45 CO 0.57 0.51 0.96 0.00 -0.34 0.00 0.00 178.44 180.14 2frm s ALA 46 N -3.53 -2.54 0.40 1.25 0.00 -1.26 -4.70 121.76 111.38 2frm s ALA 46 Ca -0.00 0.55 -0.15 0.00 0.00 0.00 0.00 51.96 52.36 2frm s ALA 46 Cb 0.11 0.56 -0.08 0.00 0.00 0.00 0.00 23.12 23.71 2frm s ALA 46 CO 0.73 -1.11 0.83 -0.51 0.00 0.00 0.00 175.76 175.70 2frm s ASP 47 N -3.39 6.70 -0.02 0.00 1.11 -0.15 -4.54 116.67 116.37 2frm s ASP 47 Ca 0.22 1.36 0.06 0.00 0.18 0.00 0.00 52.55 54.37 2frm s ASP 47 Cb 0.04 -2.41 -0.02 0.00 1.07 0.00 0.00 42.92 41.60 2frm s ASP 47 CO -0.04 -0.36 -0.22 -0.69 1.18 0.00 0.00 175.17 175.04 2frm s VAL 49 N -2.25 1.74 -0.24 -1.27 1.01 0.82 -1.21 120.40 119.01 2frm s VAL 49 Ca 0.55 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2frm s VAL 49 Cb -0.10 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.87 2frm s VAL 49 CO 0.23 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 175.02 2frm s VAL 50 N -0.43 2.32 -0.45 2.92 1.01 -0.61 -1.64 120.40 123.52 2frm s VAL 50 Ca 0.06 -1.35 -0.16 0.00 0.00 0.00 0.00 61.98 60.53 2frm s VAL 50 Cb -0.09 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.09 2frm s VAL 50 CO -0.00 0.14 0.41 -0.22 0.00 0.00 0.00 175.10 175.43 2frm s LEU 51 N 1.19 5.22 -0.11 3.92 0.20 0.34 -0.72 118.68 128.73 2frm s LEU 51 Ca -0.04 -1.00 -0.06 0.00 0.69 0.00 0.00 54.13 53.72 2frm s LEU 51 Cb -0.18 -2.26 -0.04 0.00 -0.43 0.00 0.00 46.19 43.28 2frm s LEU 51 CO -0.07 -0.61 0.12 0.12 -0.29 0.00 0.00 176.35 175.63 2frm s PHE 52 N 1.90 3.54 -0.29 5.38 5.36 -0.13 -1.31 117.98 132.43 2frm s PHE 52 Ca 0.08 0.48 -0.24 0.00 -0.96 0.00 0.00 56.93 56.29 2frm s PHE 52 Cb -0.20 -1.92 0.14 0.00 -0.34 0.00 0.00 43.02 40.70 2frm s PHE 52 CO 0.10 0.70 1.13 0.34 -1.46 0.00 0.00 175.22 176.03 2frm s ASP 53 N -1.03 -0.35 0.27 6.13 2.15 -0.72 -0.01 116.67 123.10 2frm s ASP 53 Ca 0.15 0.66 0.03 0.00 0.43 0.00 0.00 52.55 53.82 2frm s ASP 53 Cb -0.12 0.74 0.37 0.00 -0.30 0.00 0.00 42.92 43.61 2frm s ASP 53 CO 0.04 -0.11 1.68 0.40 -0.17 0.00 0.00 175.17 177.00 2frm h ILE 54 N 3.68 1.29 -1.65 4.11 2.04 -1.90 -3.37 117.51 121.70 2frm h ILE 54 Ca -0.28 -1.43 -0.70 0.00 1.00 0.00 0.00 64.86 63.45 2frm h ILE 54 Cb 1.18 1.51 0.04 0.00 -0.74 0.00 0.00 36.82 38.81 2frm h ILE 54 CO 0.14 0.45 0.66 0.00 0.00 0.00 0.00 178.15 179.39 2frm n ALA 55 N -2.49 -0.56 -2.25 1.87 0.00 -1.26 -4.88 120.51 110.94 2frm n ALA 55 Ca -0.01 0.46 -0.41 0.00 0.00 0.00 0.00 53.44 53.47 2frm n ALA 55 Cb 0.46 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.72 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 1.80 4.61 0.00 0.00 2.12 -1.26 -4.12 118.70 121.85 2frm s GLU 56 Ca 0.90 1.58 0.00 0.00 0.36 0.00 0.00 54.97 57.81 2frm s GLU 56 Cb -0.99 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.06 2frm s GLU 56 CO 0.54 0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.75 2frm n GLY 57 N 2.36 2.03 0.47 -1.50 0.00 -1.26 -4.86 105.19 102.42 2frm n GLY 57 Ca 0.04 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 0.01 -0.61 -0.61 1.08 -1.97 -1.55 117.51 113.85 2frm h ILE 58 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 2frm h ILE 58 Cb 0.00 0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 33.72 2frm h ILE 58 CO 0.00 0.00 0.41 1.55 -0.69 0.00 0.00 178.15 179.42 2frm h PRO 59 N -0.57 0.77 -0.44 2.37 0.13 -1.89 -2.24 132.00 130.12 2frm h PRO 59 Ca 0.04 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 64.98 2frm h PRO 59 Cb 0.68 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 2frm h PRO 59 CO -0.45 0.51 -0.26 -0.56 -0.23 0.00 0.00 178.00 177.01 2frm h GLN 60 N 0.79 0.96 0.20 0.86 -0.00 -1.76 -1.46 115.11 114.70 2frm h GLN 60 Ca 0.23 -0.44 -0.01 0.00 -0.00 0.00 0.00 58.65 58.43 2frm h GLN 60 Cb -0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.44 2frm h GLN 60 CO -0.06 1.11 -0.10 0.78 -0.00 0.00 0.00 178.83 180.56 2frm h GLY 61 N 0.80 -0.29 1.01 0.06 0.00 -0.87 0.52 103.07 104.30 2frm h GLY 61 Ca 0.09 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 2frm h GLY 61 CO 0.07 -0.10 0.33 0.50 0.00 0.00 0.00 176.54 177.34 2frm h LYS 62 N -0.33 1.00 -0.67 4.80 1.57 -1.47 0.25 116.57 121.72 2frm h LYS 62 Ca -0.03 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 2frm h LYS 62 Cb 0.25 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2frm h LYS 62 CO 0.05 0.79 0.21 0.00 -0.57 0.00 0.00 179.45 179.92 2frm h ALA 63 N 1.16 1.11 -0.26 3.86 0.00 -0.97 0.44 119.26 124.60 2frm h ALA 63 Ca 0.24 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2frm h ALA 63 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2frm h ALA 63 CO -0.03 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.76 2frm h LEU 64 N 0.98 0.45 0.16 0.00 4.07 0.59 0.14 115.31 121.70 2frm h LEU 64 Ca 0.22 -0.31 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 2frm h LEU 64 Cb 0.28 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2frm h LEU 64 CO -0.01 0.65 -0.08 -0.78 -1.08 0.00 0.00 178.44 177.14 2frm h ASP 65 N 0.24 -0.18 -0.87 -0.43 3.58 0.01 -2.32 116.42 116.45 2frm h ASP 65 Ca 0.07 -0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.49 2frm h ASP 65 Cb 0.42 0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.46 2frm h ASP 65 CO 0.01 -0.05 0.56 0.40 -2.88 0.00 0.00 179.24 177.28 2frm h ILE 66 N -0.30 1.15 -0.84 2.25 2.04 -0.10 -2.06 117.51 119.66 2frm h ILE 66 Ca -0.02 -0.38 0.11 0.00 1.00 0.00 0.00 64.86 65.57 2frm h ILE 66 Cb 0.23 -0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.19 2frm h ILE 66 CO 0.04 0.20 0.47 0.74 0.00 0.00 0.00 178.15 179.59 2frm h THR 67 N 1.10 0.86 -0.09 -0.27 2.02 -0.43 -1.26 112.91 114.83 2frm h THR 67 Ca 0.34 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.27 2frm h THR 67 Cb -0.01 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2frm h THR 67 CO -0.11 0.14 0.06 0.45 0.37 0.00 0.00 175.52 176.43 2frm h HIS 68 N 0.75 0.11 0.00 3.16 3.86 -0.82 -2.35 115.15 119.86 2frm h HIS 68 Ca 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 2frm h HIS 68 Cb 0.44 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.87 2frm h HIS 68 CO -0.07 0.07 -0.01 0.66 0.86 0.00 0.00 177.93 179.44 2frm h SER 69 N 0.12 0.00 -0.58 2.45 4.64 -1.18 -3.36 113.55 115.64 2frm h SER 69 Ca 0.04 -0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.46 2frm h SER 69 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 2frm h SER 69 CO -0.01 0.00 0.13 0.24 -0.87 0.00 0.00 176.83 176.32 2frm h MET 70 N 0.00 0.26 -0.30 4.77 2.86 -1.26 0.84 114.93 122.10 2frm h MET 70 Ca 0.00 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2frm h MET 70 Cb 0.90 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 2frm h MET 70 CO 0.00 0.17 0.06 -0.24 1.06 0.00 0.00 176.91 177.96 2frm h VAL 71 N 0.27 1.15 -0.72 -2.22 3.04 -1.73 0.36 116.25 116.40 2frm h VAL 71 Ca 0.30 -0.54 -0.02 0.00 -1.01 0.00 0.00 66.70 65.42 2frm h VAL 71 Cb 0.43 0.87 -0.03 0.00 -2.01 0.00 0.00 31.29 30.55 2frm h VAL 71 CO -0.38 0.19 0.35 0.24 -1.01 0.00 0.00 177.57 176.97 2frm h MET 72 N 0.42 1.01 -0.01 4.17 2.07 -1.07 -1.79 114.93 119.73 2frm h MET 72 Ca 0.10 -0.13 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 2frm h MET 72 Cb 0.19 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 2frm h MET 72 CO -0.00 0.77 -0.05 1.19 1.07 0.00 0.00 176.91 179.89 2frm n PHE 73 N -4.34 0.00 -1.93 -0.22 3.72 -0.63 -4.93 117.46 109.13 2frm n PHE 73 Ca 0.07 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.36 2frm n PHE 73 Cb 0.13 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 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 1.22 0.31 3.73 1.37 0.00 -0.27 -5.02 105.19 106.53 2frm n GLY 73 Ca 0.17 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.64 5.39 -0.08 1.61 0.15 -0.04 -5.00 113.70 113.09 2frm s SER 74 Ca 0.00 0.06 0.15 0.00 0.70 0.00 0.00 55.95 56.86 2frm s SER 74 Cb 0.00 -1.47 0.50 0.00 -1.71 0.00 0.00 66.02 63.33 2frm s SER 74 CO 0.00 0.27 1.42 0.35 1.20 0.00 0.00 173.24 176.48 2frm n THR 75 N 1.23 1.60 -1.93 6.45 -2.24 -1.26 -4.19 114.28 113.94 2frm n THR 75 Ca -0.13 -1.30 -0.41 0.00 -2.27 0.00 0.00 64.05 59.93 2frm n THR 75 Cb 0.53 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.93 2frm n THR 75 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2frm s SER 76 N -1.24 6.52 -0.09 3.42 0.01 -1.26 -5.00 113.70 116.06 2frm s SER 76 Ca 0.37 2.90 -0.13 0.00 1.31 0.00 0.00 55.95 60.41 2frm s SER 76 Cb 0.25 -2.66 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 2frm s SER 76 CO 0.17 -0.74 0.31 -0.54 0.41 0.00 0.00 173.24 172.84 2frm s LYS 77 N -1.87 3.93 -0.15 12.44 1.02 -1.26 -4.97 119.74 128.88 2frm s LYS 77 Ca 0.52 0.17 -0.01 0.00 0.02 0.00 0.00 55.97 56.67 2frm s LYS 77 Cb -0.44 -3.29 0.04 0.00 -0.52 0.00 0.00 37.83 33.63 2frm s LYS 77 CO 0.58 0.54 -0.02 0.08 -0.92 0.00 0.00 175.35 175.61 2frm s VAL 78 N -0.48 0.80 0.21 3.17 1.01 -1.26 -0.13 120.40 123.72 2frm s VAL 78 Ca 0.19 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.82 2frm s VAL 78 Cb -0.14 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2frm s VAL 78 CO 0.08 0.06 -0.20 0.27 0.00 0.00 0.00 175.10 175.31 2frm s ILE 79 N 1.76 2.14 0.04 2.22 -4.36 -0.65 -4.62 121.20 117.73 2frm s ILE 79 Ca 0.01 -2.12 0.03 0.00 -0.26 0.00 0.00 60.65 58.31 2frm s ILE 79 Cb -0.15 -2.08 -0.04 0.00 1.25 0.00 0.00 42.46 41.45 2frm s ILE 79 CO -0.07 -0.32 -0.02 -0.83 0.24 0.00 0.00 174.94 173.94 2frm s GLY 80 N -2.98 1.87 0.27 6.27 0.00 -1.26 -0.50 107.32 110.98 2frm s GLY 80 Ca 0.22 -1.05 -0.21 0.00 0.00 0.00 0.00 44.72 43.68 2frm s GLY 80 CO 0.10 -0.97 0.70 -1.08 0.00 0.00 0.00 173.10 171.86 2frm s THR 81 N -1.17 0.00 -0.02 0.90 -1.32 -0.43 -4.71 115.64 108.89 2frm s THR 81 Ca 0.22 -0.90 0.06 0.00 -1.21 0.00 0.00 61.69 59.85 2frm s THR 81 Cb -0.11 -1.90 0.09 0.00 -1.51 0.00 0.00 72.50 69.07 2frm s THR 81 CO 0.13 -0.00 1.04 -0.46 -2.21 0.00 0.00 174.62 173.12 2frm n ASN 83 N -0.45 0.47 -3.99 8.08 6.94 -1.26 -1.76 115.26 123.29 2frm n ASN 83 Ca -0.05 -2.19 -0.30 0.00 -0.02 0.00 0.00 54.58 52.01 2frm n ASN 83 Cb 0.60 -0.25 -0.16 0.00 -2.36 0.00 0.00 39.78 37.61 2frm n ASN 83 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2frm s ASP 84 N -1.41 3.46 0.64 0.53 3.68 -1.26 -4.90 116.67 117.40 2frm s ASP 84 Ca 0.09 -0.93 0.31 0.00 2.13 0.00 0.00 52.55 54.15 2frm s ASP 84 Cb 0.09 -1.23 1.68 0.00 -1.45 0.00 0.00 42.92 42.01 2frm s ASP 84 CO -0.01 -0.16 1.99 1.88 0.13 0.00 0.00 175.17 179.00 2frm h TYR 85 N 7.97 0.00 0.00 -5.34 0.99 -1.98 -0.49 116.97 118.12 2frm h TYR 85 Ca -0.26 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.46 2frm h TYR 85 Cb 1.09 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.82 2frm h TYR 85 CO 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 178.16 178.65 2frm h ALA 86 N 1.50 1.98 0.00 3.88 0.00 -1.95 -1.55 119.26 123.11 2frm h ALA 86 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2frm h ALA 86 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2frm h ALA 86 CO -0.00 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.02 2frm n ASP 87 N -4.52 0.10 -1.45 0.00 8.00 -0.19 -2.21 116.55 116.28 2frm n ASP 87 Ca -0.03 0.53 0.09 0.00 0.71 0.00 0.00 54.79 56.09 2frm n ASP 87 Cb 0.10 -0.55 0.32 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.62 1.57 -1.73 0.53 -5.35 -0.58 -4.96 119.36 107.23 2frm n ILE 88 Ca 0.03 -1.05 -0.42 0.00 -0.27 0.00 0.00 62.75 61.04 2frm n ILE 88 Cb 0.17 0.13 -0.02 0.00 -1.74 0.00 0.00 39.64 38.17 2frm n ILE 88 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2frm n SER 89 N 1.07 3.78 -0.12 7.28 2.88 -0.94 -2.40 113.62 125.17 2frm n SER 89 Ca 0.23 1.12 -0.02 0.00 -1.33 0.00 0.00 58.87 58.88 2frm n SER 89 Cb 0.79 -1.57 -0.01 0.00 -0.75 0.00 0.00 64.21 62.68 2frm n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2frm n GLY 90 N 2.66 0.52 3.74 0.46 0.00 -0.81 -5.00 105.19 106.76 2frm n GLY 90 Ca 0.11 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 2frm n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2frm s SER 91 N -2.65 6.87 0.02 1.61 0.01 -1.01 -4.73 113.70 113.83 2frm s SER 91 Ca 0.00 2.45 -0.06 0.00 1.31 0.00 0.00 55.95 59.65 2frm s SER 91 Cb 0.00 -2.62 -0.29 0.00 0.21 0.00 0.00 66.02 63.32 2frm s SER 91 CO 0.00 -0.53 0.92 0.44 0.41 0.00 0.00 173.24 174.48 2frm h ASP 92 N 5.11 0.48 -4.20 2.44 3.32 -1.13 -3.33 116.42 119.11 2frm h ASP 92 Ca -0.45 -0.61 -0.36 0.00 0.02 0.00 0.00 57.03 55.63 2frm h ASP 92 Cb 1.22 -0.16 -0.26 0.00 0.22 0.00 0.00 39.33 40.34 2frm h ASP 92 CO 0.76 1.50 -0.77 -0.69 -1.72 0.00 0.00 179.24 178.32 2frm s VAL 93 N -2.62 0.67 -0.12 -1.35 1.01 -1.02 -0.98 120.40 115.99 2frm s VAL 93 Ca -0.09 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2frm s VAL 93 Cb 0.06 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.85 2frm s VAL 93 CO 0.87 0.02 -0.10 -0.69 0.00 0.00 0.00 175.10 175.20 2frm s VAL 94 N -0.55 1.21 -0.21 2.92 1.01 -0.09 -0.88 120.40 123.80 2frm s VAL 94 Ca -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 2frm s VAL 94 Cb -0.05 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 2frm s VAL 94 CO 0.00 0.40 -0.05 -0.63 0.00 0.00 0.00 175.10 174.82 2frm s ILE 95 N 1.56 3.41 -0.36 2.22 1.01 0.31 -0.81 121.20 128.53 2frm s ILE 95 Ca 0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 2frm s ILE 95 Cb -0.13 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.82 2frm s ILE 95 CO -0.08 0.43 0.20 -0.63 0.00 0.00 0.00 174.94 174.86 2frm s ILE 96 N 1.33 4.59 -0.07 2.92 1.01 0.28 0.03 121.20 131.29 2frm s ILE 96 Ca 0.04 -0.77 0.11 0.00 0.00 0.00 0.00 60.65 60.02 2frm s ILE 96 Cb -0.14 -3.52 -0.16 0.00 0.01 0.00 0.00 42.46 38.65 2frm s ILE 96 CO -0.02 -0.18 0.26 0.35 0.00 0.00 0.00 174.94 175.35 2frm n THR 97 N 5.00 0.00 -1.40 2.92 -2.24 0.23 -0.58 114.28 118.20 2frm n THR 97 Ca -0.12 -0.24 -0.50 0.00 -2.27 0.00 0.00 64.05 60.92 2frm n THR 97 Cb 0.47 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.57 -4.29 6.98 0.00 -0.74 -4.85 120.51 116.39 2frm n ALA 98 Ca -0.01 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 2frm n ALA 98 Cb 0.26 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.27 2frm n ALA 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2frm n SER 99 N 9.84 1.21 -4.61 0.00 7.64 -1.26 -4.93 113.62 121.51 2frm n SER 99 Ca 0.52 -2.75 -0.56 0.00 1.01 0.00 0.00 58.87 57.08 2frm n SER 99 Cb 0.12 0.82 -0.07 0.00 -1.01 0.00 0.00 64.21 64.07 2frm n SER 99 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2frm n ILE 100 N -0.75 0.06 0.27 0.44 -5.35 -1.26 -4.79 119.36 107.99 2frm n ILE 100 Ca -0.05 -0.01 0.17 0.00 -0.27 0.00 0.00 62.75 62.59 2frm n ILE 100 Cb 0.49 -0.68 0.81 0.00 -1.74 0.00 0.00 39.64 38.52 2frm n ILE 100 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 2frm h PRO 103 N 4.76 0.00 -6.01 6.28 0.11 -2.01 -3.41 132.00 131.71 2frm h PRO 103 Ca -0.48 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.02 2frm h PRO 103 Cb 1.36 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.42 2frm h PRO 103 CO 0.80 0.00 -0.34 0.20 -0.21 0.00 0.00 178.00 178.45 2frm s GLY 103 N -3.81 2.27 -0.25 -0.55 0.00 -1.26 -5.05 107.32 98.67 2frm s GLY 103 Ca -0.04 -0.54 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 2frm s GLY 103 CO 0.35 -0.38 1.27 0.50 0.00 0.00 0.00 173.10 174.84 2frm s ARG 103 N -2.05 4.05 0.10 2.90 3.00 -1.26 -4.96 118.95 120.72 2frm s ARG 103 Ca 0.32 1.41 -0.35 0.00 0.00 0.00 0.00 55.73 57.11 2frm s ARG 103 Cb -0.13 -3.82 -0.15 0.00 0.00 0.00 0.00 34.95 30.84 2frm s ARG 103 CO 0.19 -0.94 1.49 -2.30 0.00 0.00 0.00 175.30 173.74 2frm n PRO 105 N 7.00 1.64 0.01 3.54 -0.02 -1.26 -4.87 135.00 141.03 2frm n PRO 105 Ca 0.14 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 2frm n PRO 105 Cb 0.46 -2.30 -0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2frm n PRO 105 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2frm n LYS 105 N 3.23 0.17 -2.50 -0.52 4.01 -1.26 -4.83 118.16 116.45 2frm n LYS 105 Ca 0.18 -0.02 -0.03 0.00 -0.51 0.00 0.00 58.31 57.94 2frm n LYS 105 Cb 0.24 -1.54 -0.02 0.00 -0.51 0.00 0.00 35.03 33.20 2frm n LYS 105 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2frm n ASP 106 N -1.75 -4.65 0.00 4.39 10.43 -1.26 -4.99 116.55 118.72 2frm n ASP 106 Ca 0.03 1.50 0.00 0.00 2.57 0.00 0.00 54.79 58.89 2frm n ASP 106 Cb 0.39 -4.60 0.00 0.00 1.84 0.00 0.00 41.12 38.75 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 1.88 0.00 0.00 -2.24 2.03 -1.26 -5.04 116.55 111.93 2frm n ASP 107 Ca -0.18 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.26 2frm n ASP 107 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 -5.18 116.66 111.40 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 0.34 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.75 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 0.81 -4.59 2.89 3.41 -1.26 -5.09 113.62 109.79 2frm n SER 110 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 2frm n SER 110 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 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 4.19 1.96 -0.76 4.33 2.02 -1.26 -4.81 118.70 124.36 2frm s GLU 111 Ca 0.00 -2.16 -0.26 0.00 0.02 0.00 0.00 54.97 52.58 2frm s GLU 111 Cb 0.00 -1.41 -0.11 0.00 0.10 0.00 0.00 34.13 32.72 2frm s GLU 111 CO 0.00 -0.18 2.31 -1.17 0.02 0.00 0.00 175.26 176.24 2frm s LEU 112 N -3.71 3.00 0.00 1.80 1.98 -1.26 -4.82 118.68 115.68 2frm s LEU 112 Ca 0.27 0.07 0.00 0.00 -2.89 0.00 0.00 54.13 51.58 2frm s LEU 112 Cb 0.07 -2.54 0.00 0.00 0.66 0.00 0.00 46.19 44.38 2frm s LEU 112 CO 0.14 -3.50 0.68 -0.11 -1.89 0.00 0.00 176.35 171.67 2frm n LEU 113 N 17.28 0.00 -0.26 -0.68 0.00 -1.26 -0.57 117.00 131.51 2frm n LEU 113 Ca 0.43 0.68 0.21 0.00 0.00 0.00 0.00 56.01 57.33 2frm n LEU 113 Cb 0.46 -0.22 0.52 0.00 0.00 0.00 0.00 43.42 44.18 2frm n LEU 113 CO 0.58 -0.22 1.23 -0.26 0.00 0.00 0.00 177.39 178.71 2frm h PHE 114 N 0.00 0.53 -0.14 1.96 0.04 -1.99 -1.10 116.94 116.25 2frm h PHE 114 Ca 0.00 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 2frm h PHE 114 Cb 0.00 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 2frm h PHE 114 CO -0.42 0.12 0.07 0.78 -0.60 0.00 0.00 178.31 178.26 2frm h GLY 115 N 0.38 0.21 1.21 -1.45 0.00 -1.28 -1.90 103.07 100.23 2frm h GLY 115 Ca 0.50 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 2frm h GLY 115 CO -0.19 0.09 0.15 3.43 0.00 0.00 0.00 176.54 180.02 2frm h ASN 116 N 0.10 0.92 -0.58 0.19 2.35 0.38 -2.55 115.58 116.40 2frm h ASN 116 Ca 0.05 -0.18 0.07 0.00 -0.55 0.00 0.00 56.30 55.69 2frm h ASN 116 Cb 0.10 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.17 2frm h ASN 116 CO -0.01 0.89 0.26 0.00 -1.65 0.00 0.00 177.43 176.93 2frm h ALA 117 N 1.22 0.75 -0.51 -0.83 0.00 -1.06 -0.51 119.26 118.32 2frm h ALA 117 Ca 0.20 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.25 2frm h ALA 117 Cb 0.34 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2frm h ALA 117 CO 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 179.25 179.21 2frm h ARG 118 N 0.48 0.20 0.22 0.00 2.47 -0.93 -0.70 114.38 116.12 2frm h ARG 118 Ca 0.27 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2frm h ARG 118 Cb 0.26 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 2frm h ARG 118 CO -0.23 0.13 -0.16 0.82 0.56 0.00 0.00 179.97 181.09 2frm h ILE 119 N 0.20 0.66 -0.60 2.04 1.08 -0.98 -2.49 117.51 117.43 2frm h ILE 119 Ca 0.26 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.76 2frm h ILE 119 Cb 0.37 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.74 2frm h ILE 119 CO -0.36 0.00 0.36 -0.07 -0.69 0.00 0.00 178.15 177.39 2frm h LEU 120 N -0.38 0.59 -0.82 1.44 3.38 -0.74 -1.92 115.31 116.87 2frm h LEU 120 Ca -0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2frm h LEU 120 Cb 0.33 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 2frm h LEU 120 CO 0.00 0.41 0.50 0.44 0.09 0.00 0.00 178.44 179.89 2frm h ASP 121 N 0.72 0.78 -0.46 -0.43 3.45 -1.04 0.58 116.42 120.02 2frm h ASP 121 Ca 0.24 0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.68 2frm h ASP 121 Cb 0.02 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 2frm h ASP 121 CO -0.10 0.50 0.14 -1.28 -1.57 0.00 0.00 179.24 176.93 2frm h SER 122 N 0.92 0.67 -0.22 6.45 0.87 -0.97 -2.23 113.55 119.04 2frm h SER 122 Ca 0.36 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 2frm h SER 122 Cb 0.17 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2frm h SER 122 CO -0.17 0.70 -0.10 0.58 -0.53 0.00 0.00 176.83 177.31 2frm h VAL 123 N 0.61 1.30 -0.97 2.23 2.07 -0.71 -2.87 116.25 117.92 2frm h VAL 123 Ca 0.15 -1.16 0.17 0.00 0.82 0.00 0.00 66.70 66.67 2frm h VAL 123 Cb 0.27 1.61 -0.10 0.00 -1.52 0.00 0.00 31.29 31.55 2frm h VAL 123 CO -0.00 0.36 0.57 0.00 0.02 0.00 0.00 177.57 178.51 2frm h ALA 124 N 0.71 1.55 -0.44 1.67 0.00 0.30 0.25 119.26 123.31 2frm h ALA 124 Ca 0.05 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2frm h ALA 124 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2frm h ALA 124 CO 0.03 -0.01 -0.18 0.93 0.00 0.00 0.00 179.25 180.03 2frm h GLU 125 N 0.77 0.84 -0.43 0.00 4.39 -1.30 -1.98 114.58 116.88 2frm h GLU 125 Ca 0.54 -0.32 -0.14 0.00 0.34 0.00 0.00 59.36 59.77 2frm h GLU 125 Cb 0.76 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2frm h GLU 125 CO -0.36 0.95 -0.30 0.78 -1.16 0.00 0.00 179.01 178.93 2frm h GLY 126 N 0.96 1.02 1.01 -3.84 0.00 -0.58 -2.77 103.07 98.87 2frm h GLY 126 Ca 0.11 -0.97 -0.10 0.00 0.00 0.00 0.00 47.33 46.37 2frm h GLY 126 CO 0.05 0.88 -0.13 -2.08 0.00 0.00 0.00 176.54 175.26 2frm h VAL 127 N 0.79 1.28 0.00 4.60 2.07 -0.52 0.17 116.25 124.63 2frm h VAL 127 Ca 0.09 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 2frm h VAL 127 Cb 0.88 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2frm h VAL 127 CO 0.08 0.42 -0.06 0.07 0.02 0.00 0.00 177.57 178.10 2frm h LYS 128 N 0.65 0.00 0.13 1.57 2.10 -1.38 0.31 116.57 119.95 2frm h LYS 128 Ca 0.10 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.40 2frm h LYS 128 Cb 0.67 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.99 2frm h LYS 128 CO 0.05 0.06 -1.86 -0.22 -2.00 0.00 0.00 179.45 175.48 2frm h LYS 129 N 0.00 0.27 0.00 0.07 3.64 -1.38 -3.40 116.57 115.77 2frm h LYS 129 Ca -0.00 -0.47 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 2frm h LYS 129 Cb 0.72 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2frm h LYS 129 CO 0.01 1.17 -1.69 0.66 -2.27 0.00 0.00 179.45 177.33 2frm n TYR 130 N -3.47 0.00 -2.75 1.91 4.01 0.58 -4.88 117.16 112.57 2frm n TYR 130 Ca -0.27 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.39 2frm n TYR 130 Cb 1.06 -0.36 0.06 0.00 -0.31 0.00 0.00 39.34 39.78 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 3.86 0.00 -0.25 0.00 0.11 -1.44 -2.73 132.00 131.54 2frm h PRO 132 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2frm h PRO 132 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2frm h PRO 132 CO 0.29 0.04 0.00 0.09 -0.21 0.00 0.00 178.00 178.21 2frm n ASN 132 N -3.21 2.21 -4.81 -2.05 3.02 -1.26 -4.90 115.26 104.26 2frm n ASN 132 Ca -0.01 -1.82 -0.33 0.00 -0.03 0.00 0.00 54.58 52.39 2frm n ASN 132 Cb 0.24 -0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 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 -1.67 2.88 -0.13 5.41 0.00 -1.03 -4.93 121.76 122.28 2frm s ALA 133 Ca 0.33 0.41 -0.20 0.00 0.00 0.00 0.00 51.96 52.51 2frm s ALA 133 Cb 0.18 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2frm s ALA 133 CO 0.27 -0.44 0.57 0.12 0.00 0.00 0.00 175.76 176.28 2frm s PHE 134 N -2.32 3.48 -0.20 0.00 5.36 -0.15 -4.92 117.98 119.23 2frm s PHE 134 Ca 0.63 0.96 -0.04 0.00 -0.96 0.00 0.00 56.93 57.53 2frm s PHE 134 Cb -0.14 -2.68 -0.01 0.00 -0.34 0.00 0.00 43.02 39.85 2frm s PHE 134 CO 0.28 0.04 -0.05 0.08 -1.46 0.00 0.00 175.22 174.12 2frm s VAL 135 N 1.07 3.46 -0.24 3.12 1.01 0.46 -0.92 120.40 128.36 2frm s VAL 135 Ca 0.29 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2frm s VAL 135 Cb -0.16 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2frm s VAL 135 CO 0.12 0.44 -0.02 -0.63 0.00 0.00 0.00 175.10 175.01 2frm s ILE 136 N 1.19 3.40 -0.06 2.22 1.01 0.01 -0.79 121.20 128.18 2frm s ILE 136 Ca 0.02 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 2frm s ILE 136 Cb -0.14 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 2frm s ILE 136 CO -0.01 0.30 0.20 0.00 0.00 0.00 0.00 174.94 175.43 2frm n ILE 138 N 1.58 0.10 -3.69 0.00 5.41 0.25 -0.25 119.36 122.77 2frm n ILE 138 Ca -0.16 -4.32 -0.12 0.00 1.00 0.00 0.00 62.75 59.15 2frm n ILE 138 Cb 0.54 -1.99 -0.13 0.00 -0.71 0.00 0.00 39.64 37.35 2frm n ILE 138 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2frm s THR 139 N -1.50 -0.26 0.23 1.39 -4.23 -1.26 -4.53 115.64 105.48 2frm s THR 139 Ca 0.36 0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 61.00 2frm s THR 139 Cb 0.16 -0.45 -0.07 0.00 1.34 0.00 0.00 72.50 73.49 2frm s THR 139 CO -0.09 0.09 0.53 0.20 -0.54 0.00 0.00 174.62 174.81 2frm s ASN 140 N 1.92 6.57 -0.03 3.99 0.01 -1.26 -2.64 114.94 123.50 2frm s ASN 140 Ca -0.04 0.84 -0.30 0.00 -0.71 0.00 0.00 52.86 52.65 2frm s ASN 140 Cb -0.11 -2.19 -0.05 0.00 0.41 0.00 0.00 41.25 39.30 2frm s ASN 140 CO -0.09 -0.08 1.49 -2.84 -1.51 0.00 0.00 177.10 174.06 2frm s PRO 141 N -2.93 4.23 0.00 -0.60 0.02 -1.26 -4.39 135.00 130.07 2frm s PRO 141 Ca 0.46 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.51 2frm s PRO 141 Cb -0.11 -3.73 0.00 0.00 0.02 0.00 0.00 34.50 30.68 2frm s PRO 141 CO 0.23 -0.69 1.00 -0.11 -0.33 0.00 0.00 177.00 177.10 2frm n LEU 142 N 6.12 0.00 -0.33 -5.54 7.94 -1.08 -0.81 117.00 123.30 2frm n LEU 142 Ca 0.15 1.00 0.15 0.00 -1.11 0.00 0.00 56.01 56.19 2frm n LEU 142 Cb 0.43 -0.50 0.37 0.00 0.53 0.00 0.00 43.42 44.26 2frm n LEU 142 CO 0.60 -0.50 1.20 0.44 -1.11 0.00 0.00 177.39 178.02 2frm h ASP 143 N 0.00 0.69 -0.23 1.96 3.32 -1.89 0.13 116.42 120.39 2frm h ASP 143 Ca 0.00 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 2frm h ASP 143 Cb 0.00 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2frm h ASP 143 CO 0.00 0.25 -0.34 0.58 -1.72 0.00 0.00 179.24 178.01 2frm h VAL 144 N 0.67 1.32 -0.54 -1.35 2.07 -1.83 -2.25 116.25 114.34 2frm h VAL 144 Ca 0.55 -1.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.43 2frm h VAL 144 Cb 0.99 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 2frm h VAL 144 CO -0.33 0.48 -0.08 0.24 0.02 0.00 0.00 177.57 177.90 2frm h MET 145 N 0.35 0.99 0.11 1.57 2.86 0.34 -1.62 114.93 119.54 2frm h MET 145 Ca 0.02 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 2frm h MET 145 Cb 0.92 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2frm h MET 145 CO 0.08 1.03 -0.05 0.28 1.06 0.00 0.00 176.91 179.30 2frm h VAL 146 N 0.89 0.95 -0.80 -2.22 2.07 -0.83 -0.04 116.25 116.28 2frm h VAL 146 Ca 0.15 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.54 2frm h VAL 146 Cb 0.63 1.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 2frm h VAL 146 CO 0.04 0.06 0.42 -1.28 0.02 0.00 0.00 177.57 176.83 2frm h SER 147 N -0.26 0.56 -0.55 0.57 0.87 -1.31 -0.76 113.55 112.68 2frm h SER 147 Ca -0.02 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2frm h SER 147 Cb 0.21 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2frm h SER 147 CO 0.03 0.29 0.32 -0.74 -0.53 0.00 0.00 176.83 176.20 2frm h HIS 148 N 0.68 0.73 -0.45 2.24 6.17 -0.87 -1.93 115.15 121.73 2frm h HIS 148 Ca 0.40 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.47 2frm h HIS 148 Cb 0.46 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 30.13 2frm h HIS 148 CO -0.09 0.52 0.26 0.35 0.71 0.00 0.00 177.93 179.68 2frm h PHE 149 N 0.73 0.59 -0.66 5.26 3.57 0.43 -2.04 116.94 124.82 2frm h PHE 149 Ca 0.19 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.73 2frm h PHE 149 Cb 0.01 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.51 2frm h PHE 149 CO -0.02 0.42 0.39 0.37 -2.23 0.00 0.00 178.31 177.24 2frm h GLN 150 N 0.59 0.74 0.23 1.11 -0.00 -1.17 -0.19 115.11 116.42 2frm h GLN 150 Ca 0.16 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.76 2frm h GLN 150 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.31 2frm h GLN 150 CO -0.03 0.49 -0.16 0.87 0.00 0.00 0.00 178.83 180.00 2frm h LYS 151 N 0.76 -0.38 0.00 1.69 1.57 -0.90 0.19 116.57 119.50 2frm h LYS 151 Ca 0.27 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.96 2frm h LYS 151 Cb 0.07 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2frm h LYS 151 CO -0.13 -0.25 -0.56 -0.39 -0.57 0.00 0.00 179.45 177.55 2frm h VAL 152 N -0.39 0.99 0.00 0.50 -1.51 -1.28 -3.25 116.25 111.30 2frm h VAL 152 Ca -0.02 -2.33 -0.20 0.00 -1.23 0.00 0.00 66.70 62.93 2frm h VAL 152 Cb 0.34 2.44 -0.03 0.00 -2.13 0.00 0.00 31.29 31.90 2frm h VAL 152 CO 0.01 0.55 -1.27 0.77 -1.23 0.00 0.00 177.57 176.40 2frm h SER 153 N 0.00 0.00 -0.07 4.19 4.64 -1.04 -3.47 113.55 117.81 2frm h SER 153 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2frm h SER 153 Cb 1.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 2frm h SER 153 CO 0.07 0.76 -0.03 0.61 -0.87 0.00 0.00 176.83 177.38 2frm n GLY 154 N 1.40 0.46 3.78 -0.77 0.00 0.68 -4.84 105.19 105.89 2frm n GLY 154 Ca -0.08 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.31 3.40 0.34 0.99 1.02 -1.24 -4.94 118.68 117.94 2frm s LEU 155 Ca 0.00 1.97 -0.27 0.00 0.02 0.00 0.00 54.13 55.85 2frm s LEU 155 Cb 0.00 -4.55 -0.12 0.00 0.02 0.00 0.00 46.19 41.54 2frm s LEU 155 CO 0.00 -1.57 1.13 -2.65 0.02 0.00 0.00 176.35 173.28 2frm n PRO 156 N -2.38 1.68 -0.33 1.29 -0.02 -1.26 -4.83 135.00 129.15 2frm n PRO 156 Ca 0.10 0.59 0.06 0.00 -2.02 0.00 0.00 63.50 62.24 2frm n PRO 156 Cb 0.52 -2.10 0.26 0.00 -0.02 0.00 0.00 33.50 32.16 2frm n PRO 156 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2frm h HIS 157 N 2.12 1.07 0.00 6.00 3.86 -1.93 0.46 115.15 126.73 2frm h HIS 157 Ca -0.43 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 2frm h HIS 157 Cb 1.32 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 29.44 2frm h HIS 157 CO 0.48 0.48 0.00 0.27 0.86 0.00 0.00 177.93 180.02 2frm n ASN 158 N -4.55 0.00 -0.90 2.45 6.94 -1.26 -2.62 115.26 115.31 2frm n ASN 158 Ca 0.17 0.30 0.09 0.00 -0.02 0.00 0.00 54.58 55.12 2frm n ASN 158 Cb 0.31 -0.39 0.17 0.00 -2.36 0.00 0.00 39.78 37.50 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 -1.39 2.19 -4.62 -3.83 4.76 0.15 -0.92 118.16 114.49 2frm n LYS 159 Ca 0.05 -2.02 -0.24 0.00 -2.87 0.00 0.00 58.31 53.23 2frm n LYS 159 Cb 0.12 -1.40 -0.16 0.00 -1.84 0.00 0.00 35.03 31.75 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 -1.27 1.16 0.30 -0.18 1.01 -1.08 -0.40 120.40 119.94 2frm s VAL 160 Ca 0.30 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 2frm s VAL 160 Cb 0.18 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.54 2frm s VAL 160 CO 0.25 0.35 0.59 0.00 0.00 0.00 0.00 175.10 176.29 2frm s GLY 162 N -3.05 1.37 -0.36 0.00 0.00 0.75 -0.44 107.32 105.59 2frm s GLY 162 Ca 0.20 -1.29 -0.17 0.00 0.00 0.00 0.00 44.72 43.47 2frm s GLY 162 CO 0.11 -1.23 0.43 -0.29 0.00 0.00 0.00 173.10 172.13 2frm s MET 163 N -1.60 3.53 0.43 2.90 1.75 0.65 -1.24 119.30 125.72 2frm s MET 163 Ca 0.11 -0.36 0.00 0.00 -1.25 0.00 0.00 55.69 54.19 2frm s MET 163 Cb -0.10 -3.83 0.00 0.00 2.84 0.00 0.00 34.83 33.75 2frm s MET 163 CO 0.04 -0.61 0.00 0.00 -0.65 0.00 0.00 175.02 173.79 2frm n ALA 164 N 5.56 0.68 -0.29 4.11 0.00 -1.26 -4.78 120.51 124.53 2frm n ALA 164 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.45 2frm n ALA 164 Cb 0.49 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.14 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 0.98 1.03 0.00 0.00 -1.84 -0.23 103.07 103.01 2frm h GLY 165 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 2frm h GLY 165 CO 0.00 -0.36 0.48 -2.08 0.00 0.00 0.00 176.54 174.58 2frm h VAL 166 N 0.08 1.26 0.32 4.60 2.07 -1.68 0.89 116.25 123.78 2frm h VAL 166 Ca 0.48 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2frm h VAL 166 Cb 0.88 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2frm h VAL 166 CO -0.75 0.29 -0.15 0.25 0.02 0.00 0.00 177.57 177.23 2frm h LEU 167 N 1.24 -0.36 -1.02 2.57 5.85 -1.43 -0.16 115.31 122.01 2frm h LEU 167 Ca 0.31 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2frm h LEU 167 Cb 0.03 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2frm h LEU 167 CO -0.05 -0.05 0.46 0.44 -0.34 0.00 0.00 178.44 178.90 2frm h ASP 168 N -0.69 1.02 -0.02 1.25 3.32 -0.96 -1.47 116.42 118.88 2frm h ASP 168 Ca -0.04 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 2frm h ASP 168 Cb 0.48 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2frm h ASP 168 CO 0.07 0.82 -0.31 0.28 -1.72 0.00 0.00 179.24 178.37 2frm h SER 169 N 1.15 0.49 -0.42 6.45 0.02 0.84 -0.73 113.55 121.36 2frm h SER 169 Ca 0.29 -0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 60.93 2frm h SER 169 Cb 0.02 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2frm h SER 169 CO -0.05 0.78 -0.23 0.28 -1.14 0.00 0.00 176.83 176.48 2frm h SER 170 N 0.41 0.92 -0.37 3.07 0.02 -0.40 0.13 113.55 117.33 2frm h SER 170 Ca 0.05 -0.41 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 2frm h SER 170 Cb 0.76 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2frm h SER 170 CO 0.06 1.13 0.09 0.03 -1.14 0.00 0.00 176.83 177.00 2frm h ARG 171 N 0.71 0.60 0.05 3.45 3.08 -1.13 -0.42 114.38 120.73 2frm h ARG 171 Ca 0.09 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2frm h ARG 171 Cb 0.80 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 2frm h ARG 171 CO 0.07 0.64 -0.23 0.35 -1.07 0.00 0.00 179.97 179.73 2frm h PHE 172 N 0.46 -0.60 -0.74 3.04 3.57 -0.93 -0.33 116.94 121.41 2frm h PHE 172 Ca 0.12 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2frm h PHE 172 Cb 0.31 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 2frm h PHE 172 CO 0.02 -0.32 0.47 0.00 -2.23 0.00 0.00 178.31 176.25 2frm h ARG 173 N -0.39 0.90 0.00 1.11 3.08 -0.60 -2.16 114.38 116.32 2frm h ARG 173 Ca 0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2frm h ARG 173 Cb 0.44 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2frm h ARG 173 CO -0.17 0.59 -0.00 1.15 -1.07 0.00 0.00 179.97 180.47 2frm h THR 174 N 0.92 1.03 -0.57 2.04 2.02 -0.59 -0.19 112.91 117.58 2frm h THR 174 Ca 0.29 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 2frm h THR 174 Cb -0.01 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 2frm h THR 174 CO -0.10 0.03 0.34 -0.26 0.37 0.00 0.00 175.52 175.89 2frm h PHE 175 N -0.05 0.75 -0.20 3.16 0.04 -0.85 0.81 116.94 120.61 2frm h PHE 175 Ca -0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 2frm h PHE 175 Cb 0.04 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 2frm h PHE 175 CO -0.06 0.51 -0.47 0.82 -0.60 0.00 0.00 178.31 178.51 2frm h ILE 176 N 0.79 1.31 -0.52 -0.55 2.04 -1.07 -2.64 117.51 116.87 2frm h ILE 176 Ca 0.21 -1.67 -0.12 0.00 1.00 0.00 0.00 64.86 64.28 2frm h ILE 176 Cb -0.02 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2frm h ILE 176 CO -0.04 0.52 -0.15 0.00 0.00 0.00 0.00 178.15 178.48 2frm h ALA 177 N 1.09 0.75 -0.64 1.87 0.00 0.06 -2.53 119.26 119.86 2frm h ALA 177 Ca 0.02 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2frm h ALA 177 Cb 0.97 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2frm h ALA 177 CO 0.09 0.67 0.22 1.96 0.00 0.00 0.00 179.25 182.19 2frm h GLN 178 N 0.89 0.98 -0.77 0.00 4.20 -0.82 0.18 115.11 119.77 2frm h GLN 178 Ca 0.13 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 2frm h GLN 178 Cb 0.72 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 2frm h GLN 178 CO 0.06 0.85 0.30 1.25 -0.67 0.00 0.00 178.83 180.62 2frm h HIS 179 N 0.91 1.17 0.00 2.96 2.76 -1.34 -3.01 115.15 118.60 2frm h HIS 179 Ca 0.21 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2frm h HIS 179 Cb 0.26 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.87 2frm h HIS 179 CO 0.02 0.89 -0.57 1.19 -1.30 0.00 0.00 177.93 178.16 2frm n PHE 180 N -4.30 0.21 -2.60 5.26 3.72 -0.96 -4.97 117.46 113.81 2frm n PHE 180 Ca 0.07 0.06 -0.06 0.00 -0.05 0.00 0.00 57.45 57.47 2frm n PHE 180 Cb 0.19 -0.41 0.03 0.00 -0.94 0.00 0.00 39.48 38.34 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 1.43 0.31 3.13 1.37 0.00 0.52 -5.06 105.19 106.90 2frm n GLY 181 Ca 0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.11 0.26 0.00 1.61 -7.23 -0.53 -5.04 120.40 106.36 2frm s VAL 182 Ca 0.07 -1.87 -0.33 0.00 -1.81 0.00 0.00 61.98 58.04 2frm s VAL 182 Cb -0.03 -1.78 -0.12 0.00 0.56 0.00 0.00 36.38 35.01 2frm s VAL 182 CO 0.23 -0.75 1.81 -3.20 -0.31 0.00 0.00 175.10 172.89 2frm n ASN 183 N -0.01 3.49 0.11 4.85 5.15 -1.26 -4.56 115.26 123.04 2frm n ASN 183 Ca -0.10 0.99 0.07 0.00 -0.60 0.00 0.00 54.58 54.94 2frm n ASN 183 Cb 0.62 -1.42 0.54 0.00 -0.53 0.00 0.00 39.78 38.99 2frm n ASN 183 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2frm h ALA 184 N 8.50 1.89 -0.06 5.20 0.00 -1.91 -0.72 119.26 132.17 2frm h ALA 184 Ca -0.48 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2frm h ALA 184 Cb 1.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2frm h ALA 184 CO 0.93 0.09 0.11 0.77 0.00 0.00 0.00 179.25 181.15 2frm h SER 185 N 0.27 0.00 -0.56 0.00 0.02 -1.94 0.25 113.55 111.60 2frm h SER 185 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2frm h SER 185 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2frm h SER 185 CO -0.02 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.14 2frm n ASP 186 N -3.47 3.01 -4.60 3.07 8.00 -0.28 -4.85 116.55 117.44 2frm n ASP 186 Ca -0.01 -2.00 -0.34 0.00 0.71 0.00 0.00 54.79 53.14 2frm n ASP 186 Cb 0.19 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 40.81 2frm n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2frm s VAL 187 N -1.26 4.35 -0.20 2.53 1.01 0.89 -4.46 120.40 123.26 2frm s VAL 187 Ca 0.38 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 2frm s VAL 187 Cb 0.20 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2frm s VAL 187 CO 0.25 0.51 0.00 -0.55 0.00 0.00 0.00 175.10 175.32 2frm s SER 188 N 0.03 4.86 -0.29 3.32 0.15 0.11 -4.96 113.70 116.91 2frm s SER 188 Ca 0.03 -0.19 -0.14 0.00 0.70 0.00 0.00 55.95 56.35 2frm s SER 188 Cb -0.13 -1.83 0.13 0.00 -1.71 0.00 0.00 66.02 62.48 2frm s SER 188 CO 0.02 0.07 0.81 0.00 1.20 0.00 0.00 173.24 175.34 2frm s ALA 189 N 0.97 -2.19 0.07 5.45 0.00 -1.26 -0.15 121.76 124.65 2frm s ALA 189 Ca 0.02 2.28 0.08 0.00 0.00 0.00 0.00 51.96 54.34 2frm s ALA 189 Cb -0.14 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 2frm s ALA 189 CO 0.02 -0.63 -0.21 -0.80 0.00 0.00 0.00 175.76 174.14 2frm s ASN 190 N 2.06 3.63 -0.16 0.00 0.01 -1.26 -4.62 114.94 114.60 2frm s ASN 190 Ca -0.07 -0.52 -0.00 0.00 -0.71 0.00 0.00 52.86 51.55 2frm s ASN 190 Cb -0.07 -0.49 -0.00 0.00 0.41 0.00 0.00 41.25 41.10 2frm s ASN 190 CO -0.18 0.23 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.81 2frm s VAL 191 N -0.96 2.73 0.51 1.60 1.01 -1.26 -1.33 120.40 122.70 2frm s VAL 191 Ca 0.15 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2frm s VAL 191 Cb -0.10 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 2frm s VAL 191 CO 0.06 0.51 0.02 0.27 0.00 0.00 0.00 175.10 175.95 2frm s ILE 192 N 0.87 1.01 0.00 2.22 -4.36 -0.54 -4.70 121.20 115.71 2frm s ILE 192 Ca -0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 2frm s ILE 192 Cb -0.15 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.44 2frm s ILE 192 CO -0.01 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.78 2frm n GLY 193 N -1.24 -1.61 0.00 6.27 0.00 -0.10 0.20 105.19 108.72 2frm n GLY 193 Ca -0.18 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 0.89 3.75 -0.02 0.00 -0.81 -2.83 105.19 106.17 2frm n GLY 194 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2frm n GLY 194 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2frm s HIS 195 N 2.98 2.06 0.00 1.61 3.76 -1.26 -3.56 115.29 120.88 2frm s HIS 195 Ca 0.00 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 2frm s HIS 195 Cb 0.00 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.95 2frm s HIS 195 CO 0.00 0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 2frm n GLY 196 N -1.28 3.61 0.02 -2.22 0.00 -1.26 0.85 105.19 104.91 2frm n GLY 196 Ca -0.11 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2frm n GLY 196 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2frm n ASP 197 N 5.89 0.16 0.07 1.61 8.00 -1.26 -2.80 116.55 128.22 2frm n ASP 197 Ca 0.00 0.11 0.13 0.00 0.71 0.00 0.00 54.79 55.74 2frm n ASP 197 Cb 0.00 -0.27 0.45 0.00 -0.02 0.00 0.00 41.12 41.28 2frm n ASP 197 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2frm n GLY 198 N 1.44 -1.63 3.73 0.44 0.00 0.25 -4.78 105.19 104.63 2frm n GLY 198 Ca 0.09 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.07 4.35 -0.54 1.61 0.00 -1.03 -1.93 119.30 118.69 2frm s MET 199 Ca 0.11 2.08 0.04 0.00 0.00 0.00 0.00 55.69 57.93 2frm s MET 199 Cb 0.14 -3.21 0.14 0.00 0.00 0.00 0.00 34.83 31.91 2frm s MET 199 CO 0.59 -0.35 0.31 0.08 0.00 0.00 0.00 175.02 175.65 2frm s VAL 200 N 0.54 2.30 -0.38 10.11 1.01 0.13 -4.92 120.40 129.19 2frm s VAL 200 Ca 0.60 -3.35 -0.28 0.00 0.00 0.00 0.00 61.98 58.95 2frm s VAL 200 Cb -0.37 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 2frm s VAL 200 CO 0.35 -0.89 1.61 -2.16 0.00 0.00 0.00 175.10 174.01 2frm s PRO 201 N -0.41 3.43 -0.81 2.72 0.04 -1.26 -1.46 135.00 137.24 2frm s PRO 201 Ca 0.20 1.16 -0.25 0.00 0.04 0.00 0.00 61.00 62.14 2frm s PRO 201 Cb -0.19 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2frm s PRO 201 CO -0.05 -1.75 1.62 0.00 0.04 0.00 0.00 177.00 176.87 2frm s ALA 202 N 6.25 2.35 0.44 8.56 0.00 -0.44 -4.86 121.76 134.05 2frm s ALA 202 Ca 0.70 -1.44 0.19 0.00 0.00 0.00 0.00 51.96 51.41 2frm s ALA 202 Cb -0.18 -4.41 1.14 0.00 0.00 0.00 0.00 23.12 19.67 2frm s ALA 202 CO 0.33 -3.87 1.88 1.79 0.00 0.00 0.00 175.76 175.89 2frm h THR 203 N 6.72 0.70 0.00 0.00 1.35 -1.91 0.17 112.91 119.93 2frm h THR 203 Ca -0.07 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2frm h THR 203 Cb 1.06 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2frm h THR 203 CO 1.29 0.06 0.00 -1.20 -0.25 0.00 0.00 175.52 175.42 2frm n SER 204 N -4.47 0.00 -0.59 5.36 7.64 -1.26 -1.83 113.62 118.47 2frm n SER 204 Ca 0.17 -0.50 0.11 0.00 1.01 0.00 0.00 58.87 59.66 2frm n SER 204 Cb 0.68 -0.10 0.02 0.00 -1.01 0.00 0.00 64.21 63.79 2frm n SER 204 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2frm n SER 205 N -1.10 2.22 -4.72 6.43 3.41 0.59 -4.87 113.62 115.57 2frm n SER 205 Ca 0.16 -1.61 -0.42 0.00 -0.26 0.00 0.00 58.87 56.74 2frm n SER 205 Cb 0.12 0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 2frm n SER 205 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2frm s VAL 206 N -2.32 4.16 -0.05 -3.33 1.01 -0.76 -4.15 120.40 114.96 2frm s VAL 206 Ca 0.20 1.60 -0.09 0.00 0.00 0.00 0.00 61.98 63.69 2frm s VAL 206 Cb 0.18 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2frm s VAL 206 CO 0.50 0.15 0.22 -0.55 0.00 0.00 0.00 175.10 175.42 2frm s SER 207 N 0.83 -0.15 -0.10 3.32 0.15 0.79 -3.25 113.70 115.29 2frm s SER 207 Ca 0.56 0.19 0.19 0.00 0.70 0.00 0.00 55.95 57.58 2frm s SER 207 Cb -0.28 0.36 0.43 0.00 -1.71 0.00 0.00 66.02 64.82 2frm s SER 207 CO 0.30 -0.24 1.19 0.52 1.20 0.00 0.00 173.24 176.22 2frm n VAL 208 N 2.19 1.05 0.00 4.45 0.31 -1.26 0.06 118.33 125.13 2frm n VAL 208 Ca -0.17 -2.09 0.00 0.00 -0.01 0.00 0.00 64.34 62.07 2frm n VAL 208 Cb 0.57 0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 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 -0.26 0.00 3.57 2.92 0.00 -1.26 -4.79 105.19 105.37 2frm n GLY 209 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 5.12 0.71 1.61 1.01 -1.26 -5.07 120.40 122.52 2frm s VAL 209 Ca 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.18 2frm s VAL 209 Cb 0.00 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.58 2frm s VAL 209 CO 0.00 -0.04 1.20 -2.84 0.00 0.00 0.00 175.10 173.42 2frm s PRO 209 N 2.17 2.26 0.30 2.72 0.02 -1.26 -4.47 135.00 136.73 2frm s PRO 209 Ca 0.15 1.74 -0.01 0.00 0.02 0.00 0.00 61.00 62.90 2frm s PRO 209 Cb -0.16 -1.85 0.45 0.00 0.02 0.00 0.00 34.50 32.96 2frm s PRO 209 CO 0.11 -1.74 1.93 1.25 -0.33 0.00 0.00 177.00 178.22 2frm h LEU 210 N -0.17 0.87 -1.83 -5.54 5.85 -1.85 -1.38 115.31 111.25 2frm h LEU 210 Ca -0.48 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 2frm h LEU 210 Cb 1.29 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 2frm h LEU 210 CO 0.50 0.69 -0.05 0.77 -0.34 0.00 0.00 178.44 180.02 2frm h SER 210 N 0.98 0.03 1.09 1.25 4.64 -1.91 -1.07 113.55 118.57 2frm h SER 210 Ca 0.25 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.44 2frm h SER 210 Cb 0.02 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 2frm h SER 210 CO -0.04 0.09 -0.59 -1.28 -0.87 0.00 0.00 176.83 174.14 2frm h SER 211 N 0.04 0.00 0.32 4.97 0.87 -1.61 -3.10 113.55 115.04 2frm h SER 211 Ca 0.01 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.37 2frm h SER 211 Cb 0.12 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2frm h SER 211 CO 0.01 0.59 -0.80 -0.26 -0.53 0.00 0.00 176.83 175.83 2frm h PHE 212 N 0.00 0.53 0.04 2.24 0.05 -0.92 -2.44 116.94 116.44 2frm h PHE 212 Ca -0.01 -0.25 0.01 0.00 3.82 0.00 0.00 57.97 61.54 2frm h PHE 212 Cb 1.29 -0.07 -0.02 0.00 2.00 0.00 0.00 35.95 39.15 2frm h PHE 212 CO 0.00 1.03 -0.11 0.82 -0.18 0.00 0.00 178.31 179.87 2frm h ILE 213 N 0.24 0.73 -0.84 -0.55 1.08 -1.37 -0.23 117.51 116.56 2frm h ILE 213 Ca -0.05 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.53 2frm h ILE 213 Cb 1.40 0.73 -0.08 0.00 -3.07 0.00 0.00 36.82 35.80 2frm h ILE 213 CO 0.14 0.00 0.47 0.11 -0.69 0.00 0.00 178.15 178.17 2frm h LYS 214 N -0.21 0.73 0.00 2.37 1.57 -1.50 0.14 116.57 119.67 2frm h LYS 214 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2frm h LYS 214 Cb 0.24 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2frm h LYS 214 CO -0.08 0.48 0.00 1.04 -0.57 0.00 0.00 179.45 180.32 2frm n GLN 215 N -4.77 0.39 -2.03 3.15 6.02 -0.83 -4.88 117.38 114.43 2frm n GLN 215 Ca 0.15 0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 57.07 2frm n GLN 215 Cb 0.32 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.07 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 0.74 0.19 0.07 1.08 0.00 0.50 -4.89 105.19 102.88 2frm n GLY 216 Ca 0.12 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.58 0.83 -3.51 0.99 4.77 -0.32 -4.94 117.00 113.24 2frm n LEU 218 Ca -0.13 -0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 55.48 2frm n LEU 218 Cb 0.55 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 2frm n LEU 218 CO 0.16 0.19 0.57 -0.51 -1.33 0.00 0.00 177.39 176.47 2frm s ILE 219 N -2.89 0.00 0.35 -0.08 2.07 -1.24 -5.00 121.20 114.41 2frm s ILE 219 Ca 0.13 0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.45 2frm s ILE 219 Cb 0.17 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.71 2frm s ILE 219 CO 0.71 0.00 0.04 0.42 -1.91 0.00 0.00 174.94 174.20 2frm s THR 220 N -2.01 2.63 0.38 4.00 -4.23 -1.26 -4.09 115.64 111.05 2frm s THR 220 Ca -0.03 -1.92 0.07 0.00 -1.18 0.00 0.00 61.69 58.62 2frm s THR 220 Cb -0.00 -2.84 0.19 0.00 1.34 0.00 0.00 72.50 71.19 2frm s THR 220 CO -0.00 -0.18 1.95 -0.61 -0.54 0.00 0.00 174.62 175.24 2frm h GLN 221 N 1.75 0.44 -0.11 3.99 5.75 -1.99 -2.13 115.11 122.81 2frm h GLN 221 Ca -0.43 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.02 2frm h GLN 221 Cb 1.25 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.70 2frm h GLN 221 CO 0.67 0.44 -0.03 0.93 -2.65 0.00 0.00 178.83 178.19 2frm h GLU 222 N 0.44 -0.00 -0.88 1.69 3.07 -1.99 -0.71 114.58 116.20 2frm h GLU 222 Ca 0.10 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 2frm h GLU 222 Cb 0.22 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.09 2frm h GLU 222 CO 0.00 -0.00 0.47 1.96 -1.40 0.00 0.00 179.01 180.04 2frm h GLN 223 N -0.00 1.22 -0.54 2.33 4.20 -1.84 -1.92 115.11 118.56 2frm h GLN 223 Ca 0.05 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 2frm h GLN 223 Cb 0.08 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 2frm h GLN 223 CO -0.11 0.90 0.22 0.82 -0.67 0.00 0.00 178.83 179.99 2frm h ILE 225 N 1.23 1.22 -0.58 2.54 2.04 -1.01 -1.14 117.51 121.80 2frm h ILE 225 Ca 0.31 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 2frm h ILE 225 Cb 0.04 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2frm h ILE 225 CO -0.05 0.25 0.19 0.44 0.00 0.00 0.00 178.15 178.99 2frm h ASP 226 N 0.73 0.80 -0.55 1.72 3.32 -0.81 -1.20 116.42 120.42 2frm h ASP 226 Ca 0.18 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 2frm h ASP 226 Cb 0.18 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2frm h ASP 226 CO -0.02 0.75 -0.11 -0.08 -1.72 0.00 0.00 179.24 178.06 2frm h GLU 227 N 0.85 1.04 -0.58 3.56 4.57 -0.95 -1.45 114.58 121.62 2frm h GLU 227 Ca 0.19 -0.39 -0.07 0.00 -1.18 0.00 0.00 59.36 57.92 2frm h GLU 227 Cb 0.23 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2frm h GLU 227 CO -0.01 1.08 0.09 0.82 -1.18 0.00 0.00 179.01 179.81 2frm h ILE 228 N 0.92 1.26 -0.43 2.32 2.04 -0.76 0.08 117.51 122.95 2frm h ILE 228 Ca 0.14 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2frm h ILE 228 Cb 0.68 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2frm h ILE 228 CO 0.05 0.36 0.28 0.58 0.00 0.00 0.00 178.15 179.42 2frm h VAL 229 N 0.87 1.10 -0.57 1.67 2.07 -1.00 -1.18 116.25 119.21 2frm h VAL 229 Ca 0.18 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 2frm h VAL 229 Cb 0.43 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2frm h VAL 229 CO 0.01 0.10 0.08 0.00 0.02 0.00 0.00 177.57 177.78 2frm h HIS 231 N 0.85 1.15 -0.62 0.00 6.17 -0.46 -0.90 115.15 121.33 2frm h HIS 231 Ca 0.17 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.25 2frm h HIS 231 Cb 0.44 -0.37 -0.03 0.00 2.52 0.00 0.00 27.41 29.97 2frm h HIS 231 CO 0.03 0.56 0.26 1.15 0.71 0.00 0.00 177.93 180.65 2frm h THR 232 N 1.10 1.23 -0.04 6.26 2.02 -0.93 0.45 112.91 122.99 2frm h THR 232 Ca 0.44 -0.70 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 2frm h THR 232 Cb 0.25 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2frm h THR 232 CO -0.19 0.28 -0.41 0.03 0.37 0.00 0.00 175.52 175.60 2frm h ARG 233 N 0.87 0.09 0.00 6.66 3.08 -1.15 -3.25 114.38 120.67 2frm h ARG 233 Ca 0.21 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 2frm h ARG 233 Cb 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2frm h ARG 233 CO -0.02 0.49 -1.44 -0.89 -1.07 0.00 0.00 179.97 177.03 2frm n ILE 234 N -4.04 0.71 -0.25 2.04 2.08 -0.42 -4.60 119.36 114.89 2frm n ILE 234 Ca -0.02 -0.60 -0.04 0.00 0.56 0.00 0.00 62.75 62.65 2frm n ILE 234 Cb 0.45 -0.40 -0.02 0.00 -0.75 0.00 0.00 39.64 38.93 2frm n ILE 234 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2frm n ALA 235 N -2.30 -0.22 -0.32 -1.39 0.00 0.15 0.56 120.51 116.98 2frm n ALA 235 Ca -0.06 0.57 0.21 0.00 0.00 0.00 0.00 53.44 54.16 2frm n ALA 235 Cb 0.69 -0.19 0.42 0.00 0.00 0.00 0.00 19.45 20.37 2frm n ALA 235 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2frm h TRP 236 N 0.00 0.68 -0.22 0.00 0.09 -1.82 0.21 115.95 114.88 2frm h TRP 236 Ca 0.16 0.04 -0.14 0.00 0.09 0.00 0.00 58.89 59.05 2frm h TRP 236 Cb 0.31 -0.14 0.00 0.00 0.08 0.00 0.00 29.16 29.41 2frm h TRP 236 CO -0.58 -0.25 -0.39 -0.22 0.09 0.00 0.00 178.44 177.09 2frm h LYS 237 N 0.22 0.66 -0.77 0.12 3.11 -0.21 -0.28 116.57 119.42 2frm h LYS 237 Ca 0.69 -0.41 0.09 0.00 -2.81 0.00 0.00 60.65 58.21 2frm h LYS 237 Cb 1.56 0.05 -0.07 0.00 -1.00 0.00 0.00 32.23 32.76 2frm h LYS 237 CO -0.67 1.03 0.42 1.49 -2.81 0.00 0.00 179.45 178.92 2frm h GLU 238 N 0.36 0.70 -0.05 1.90 4.81 -0.31 0.30 114.58 122.29 2frm h GLU 238 Ca 0.01 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2frm h GLU 238 Cb 0.99 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2frm h GLU 238 CO 0.09 0.46 -0.10 0.28 -0.73 0.00 0.00 179.01 179.01 2frm h VAL 239 N 0.72 1.43 -0.59 0.32 2.07 -0.98 -3.18 116.25 116.03 2frm h VAL 239 Ca 0.37 -1.42 0.04 0.00 0.82 0.00 0.00 66.70 66.51 2frm h VAL 239 Cb 0.35 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 2frm h VAL 239 CO -0.25 0.39 0.34 0.00 0.02 0.00 0.00 177.57 178.07 2frm h ALA 240 N 0.47 0.77 -0.97 1.67 0.00 -0.68 -0.87 119.26 119.65 2frm h ALA 240 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2frm h ALA 240 Cb 0.68 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2frm h ALA 240 CO 0.02 0.04 0.63 -0.44 0.00 0.00 0.00 179.25 179.50 2frm h ASP 240 N 0.66 1.12 0.14 0.00 3.32 -1.04 0.29 116.42 120.91 2frm h ASP 240 Ca 0.25 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.09 2frm h ASP 240 Cb 0.09 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 2frm h ASP 240 CO -0.13 0.82 -0.65 0.78 -1.72 0.00 0.00 179.24 178.33 2frm h ASN 241 N 1.32 0.56 0.39 6.45 -0.26 -1.44 -3.01 115.58 119.58 2frm h ASN 241 Ca 0.35 -0.33 -0.15 0.00 -0.56 0.00 0.00 56.30 55.61 2frm h ASN 241 Cb -0.14 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 36.95 2frm h ASN 241 CO -0.07 1.06 -0.61 -0.07 -1.06 0.00 0.00 177.43 176.67 2frm h LEU 242 N 0.35 0.25 0.00 1.61 3.38 -0.72 -3.46 115.31 116.72 2frm h LEU 242 Ca -0.02 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2frm h LEU 242 Cb 1.22 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2frm h LEU 242 CO 0.12 0.80 0.00 0.29 0.09 0.00 0.00 178.44 179.74 2frm n LYS 243 N -3.86 0.00 -0.13 1.13 5.02 0.99 -4.43 118.16 116.87 2frm n LYS 243 Ca -0.02 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.08 2frm n LYS 243 Cb 0.62 -2.69 -0.12 0.00 -0.02 0.00 0.00 35.03 32.82 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 -0.67 1.47 -2.99 -0.18 -2.24 -1.26 -5.03 114.28 103.38 2frm n THR 243 Ca 0.00 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2frm n THR 243 Cb 0.00 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 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 2.20 4.34 3.85 3.38 0.00 -1.26 -4.72 105.19 112.97 2frm n GLY 244 Ca -0.46 -1.31 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.70 2.32 0.49 2.61 -4.23 -1.26 -4.52 115.64 109.34 2frm s THR 245 Ca 0.00 -1.47 -0.21 0.00 -1.18 0.00 0.00 61.69 58.83 2frm s THR 245 Cb 0.00 -2.79 -0.10 0.00 1.34 0.00 0.00 72.50 70.95 2frm s THR 245 CO 0.00 0.00 0.75 0.00 -0.54 0.00 0.00 174.62 174.83 2frm n ALA 246 N -1.52 -0.60 0.00 3.99 0.00 -1.26 -4.91 120.51 116.20 2frm n ALA 246 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2frm n ALA 246 Cb 0.63 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.12 0.00 -0.01 0.00 0.18 -1.26 -4.78 117.16 110.17 2frm n TYR 247 Ca 0.11 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.76 2frm n TYR 247 Cb 0.43 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.29 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 -0.02 -0.32 -3.48 -1.00 -1.92 -2.71 116.94 107.48 2frm h PHE 248 Ca 0.00 -0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.60 2frm h PHE 248 Cb 0.00 0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.57 2frm h PHE 248 CO 0.00 0.49 -0.49 0.00 -1.61 0.00 0.00 178.31 176.70 2frm h ALA 249 N 0.42 0.52 -0.70 2.45 0.00 -1.99 -2.19 119.26 117.76 2frm h ALA 249 Ca -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2frm h ALA 249 Cb 0.52 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2frm h ALA 249 CO 0.00 0.68 0.43 -1.35 0.00 0.00 0.00 179.25 179.02 2frm h PRO 250 N 0.69 0.94 -0.28 0.00 0.11 -1.87 0.14 132.00 131.73 2frm h PRO 250 Ca 0.03 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 2frm h PRO 250 Cb 1.09 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 2frm h PRO 250 CO 0.11 0.64 -0.11 0.00 -0.21 0.00 0.00 178.00 178.44 2frm h ALA 251 N 1.52 0.39 -0.57 -0.75 0.00 -1.42 -2.44 119.26 116.00 2frm h ALA 251 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2frm h ALA 251 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2frm h ALA 251 CO -0.05 0.25 0.31 0.00 0.00 0.00 0.00 179.25 179.76 2frm h ALA 252 N 0.76 0.73 -0.67 0.00 0.00 -0.85 -2.19 119.26 117.03 2frm h ALA 252 Ca 0.07 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2frm h ALA 252 Cb 0.61 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2frm h ALA 252 CO 0.04 0.25 0.37 0.00 0.00 0.00 0.00 179.25 179.90 2frm h ALA 253 N 1.14 0.90 -0.58 0.00 0.00 -0.90 -1.59 119.26 118.23 2frm h ALA 253 Ca 0.20 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2frm h ALA 253 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2frm h ALA 253 CO -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.25 2frm h ALA 254 N 1.36 0.90 -0.44 0.00 0.00 -1.12 -2.44 119.26 117.52 2frm h ALA 254 Ca 0.30 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2frm h ALA 254 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2frm h ALA 254 CO -0.19 0.65 -0.00 0.28 0.00 0.00 0.00 179.25 179.98 2frm h VAL 255 N 0.92 1.23 -0.53 0.00 2.07 -0.81 -0.95 116.25 118.18 2frm h VAL 255 Ca 0.17 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 2frm h VAL 255 Cb 0.54 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2frm h VAL 255 CO 0.03 0.33 0.04 0.11 0.02 0.00 0.00 177.57 178.10 2frm h LYS 256 N 0.68 0.88 -0.33 1.57 1.79 -1.09 0.76 116.57 120.83 2frm h LYS 256 Ca 0.14 -0.23 -0.13 0.00 -2.18 0.00 0.00 60.65 58.25 2frm h LYS 256 Cb 0.42 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2frm h LYS 256 CO 0.02 0.85 -0.32 0.52 -1.08 0.00 0.00 179.45 179.44 2frm h MET 257 N 0.82 0.72 -0.47 3.15 2.86 -0.95 -1.91 114.93 119.15 2frm h MET 257 Ca 0.16 -0.33 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 2frm h MET 257 Cb 0.44 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2frm h MET 257 CO 0.02 0.94 0.02 0.00 1.06 0.00 0.00 176.91 178.94 2frm h ALA 258 N 1.04 0.63 -0.36 6.32 0.00 -0.63 -2.76 119.26 123.50 2frm h ALA 258 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2frm h ALA 258 Cb 0.84 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2frm h ALA 258 CO 0.07 0.41 0.23 0.93 0.00 0.00 0.00 179.25 180.90 2frm h GLU 259 N 0.68 0.47 -0.97 0.00 5.08 -0.75 0.19 114.58 119.27 2frm h GLU 259 Ca 0.14 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 2frm h GLU 259 Cb 0.48 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 2frm h GLU 259 CO 0.02 0.32 0.60 0.00 -1.00 0.00 0.00 179.01 178.94 2frm h ALA 260 N 1.13 1.48 0.17 3.43 0.00 -1.23 0.17 119.26 124.41 2frm h ALA 260 Ca 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2frm h ALA 260 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2frm h ALA 260 CO -0.03 0.15 -0.08 -0.92 0.00 0.00 0.00 179.25 178.37 2frm h TYR 261 N 0.91 -0.21 -0.23 0.00 3.20 -1.15 -0.92 116.97 118.57 2frm h TYR 261 Ca 0.50 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.31 2frm h TYR 261 Cb 0.54 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2frm h TYR 261 CO -0.02 0.22 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.58 2frm h LEU 262 N -0.80 0.34 -2.05 2.82 3.38 -0.68 -2.05 115.31 116.28 2frm h LEU 262 Ca -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2frm h LEU 262 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2frm h LEU 262 CO 0.04 0.47 0.00 0.29 0.09 0.00 0.00 178.44 179.32 2frm n LYS 263 N -4.27 2.32 -3.95 1.13 4.76 0.56 -4.96 118.16 113.75 2frm n LYS 263 Ca 0.00 -2.02 -0.26 0.00 -2.87 0.00 0.00 58.31 53.17 2frm n LYS 263 Cb 0.26 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.95 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 1.19 -0.55 0.20 4.39 2.03 -0.77 -4.87 116.55 118.17 2frm n ASP 264 Ca 0.19 -1.02 0.06 0.00 0.52 0.00 0.00 54.79 54.54 2frm n ASP 264 Cb 0.52 -3.01 0.39 0.00 -0.72 0.00 0.00 41.12 38.31 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 -1.85 0.00 -4.01 -0.67 1.57 -1.33 -3.43 116.57 106.85 2frm h LYS 265 Ca -0.63 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 57.80 2frm h LYS 265 Cb 1.38 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.75 2frm h LYS 265 CO 0.62 0.33 -0.52 1.63 -0.57 0.00 0.00 179.45 180.94 2frm n LYS 266 N -3.60 -4.53 -3.13 3.15 4.01 0.38 -4.96 118.16 109.48 2frm n LYS 266 Ca -0.01 0.76 -0.33 0.00 -0.51 0.00 0.00 58.31 58.22 2frm n LYS 266 Cb 0.46 -5.33 -0.06 0.00 -0.51 0.00 0.00 35.03 29.59 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 -3.11 3.35 -0.34 7.82 0.00 -0.94 -4.73 121.76 123.82 2frm s ALA 267 Ca 0.29 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 2frm s ALA 267 Cb -0.13 -2.77 0.02 0.00 0.00 0.00 0.00 23.12 20.23 2frm s ALA 267 CO 0.36 0.33 1.10 0.08 0.00 0.00 0.00 175.76 177.63 2frm s VAL 268 N -1.88 4.45 -0.26 0.00 1.01 -1.26 -1.12 120.40 121.34 2frm s VAL 268 Ca 0.51 1.65 0.01 0.00 0.00 0.00 0.00 61.98 64.15 2frm s VAL 268 Cb -0.12 -4.43 0.07 0.00 0.00 0.00 0.00 36.38 31.91 2frm s VAL 268 CO 0.18 -0.54 0.00 -0.69 0.00 0.00 0.00 175.10 174.05 2frm s VAL 269 N 3.79 1.40 0.02 2.92 1.01 0.79 -4.92 120.40 125.40 2frm s VAL 269 Ca 0.46 -1.36 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 2frm s VAL 269 Cb -0.12 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2frm s VAL 269 CO 0.18 -0.31 1.29 -2.16 0.00 0.00 0.00 175.10 174.10 2frm s PRO 270 N 1.41 4.35 0.19 2.72 0.04 -1.26 -1.45 135.00 141.00 2frm s PRO 270 Ca 0.00 1.85 -0.24 0.00 0.04 0.00 0.00 61.00 62.66 2frm s PRO 270 Cb -0.18 -3.46 0.05 0.00 0.04 0.00 0.00 34.50 30.94 2frm s PRO 270 CO -0.11 -0.43 0.87 0.00 0.04 0.00 0.00 177.00 177.37 2frm s SER 272 N -2.93 6.36 0.16 0.00 0.15 -0.37 -1.56 113.70 115.51 2frm s SER 272 Ca 0.12 0.55 0.02 0.00 0.70 0.00 0.00 55.95 57.33 2frm s SER 272 Cb -0.03 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.69 2frm s SER 272 CO 0.04 -1.47 -0.01 0.00 1.20 0.00 0.00 173.24 173.00 2frm s ALA 273 N 5.34 1.29 -0.45 5.45 0.00 -0.57 -0.18 121.76 132.64 2frm s ALA 273 Ca 0.55 -1.56 -0.28 0.00 0.00 0.00 0.00 51.96 50.67 2frm s ALA 273 Cb -0.11 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.52 2frm s ALA 273 CO 0.30 -0.31 1.51 0.12 0.00 0.00 0.00 175.76 177.38 2frm s PHE 274 N -3.66 2.21 -0.19 0.00 2.19 -1.26 -1.84 117.98 115.43 2frm s PHE 274 Ca 0.22 0.62 -0.08 0.00 0.33 0.00 0.00 56.93 58.03 2frm s PHE 274 Cb 0.06 -4.28 -0.04 0.00 -1.31 0.00 0.00 43.02 37.44 2frm s PHE 274 CO 0.03 -2.18 0.08 0.00 1.83 0.00 0.00 175.22 174.98 2frm s SER 276 N 0.47 0.02 -1.34 0.00 0.15 -1.26 -0.62 113.70 111.12 2frm s SER 276 Ca 0.04 0.10 -0.04 0.00 0.70 0.00 0.00 55.95 56.75 2frm s SER 276 Cb -0.12 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2frm s SER 276 CO 0.00 -0.13 0.57 0.59 1.20 0.00 0.00 173.24 175.47 2frm n ASN 277 N 4.13 -5.55 -3.84 5.45 4.13 -0.59 -4.94 115.26 114.06 2frm n ASN 277 Ca -0.27 -0.26 -0.12 0.00 1.68 0.00 0.00 54.58 55.61 2frm n ASN 277 Cb 0.51 -4.37 -0.09 0.00 -1.54 0.00 0.00 39.78 34.29 2frm n ASN 277 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 2frm s HIS 278 N -3.11 -0.02 -1.23 3.10 3.76 -1.25 -4.88 115.29 111.66 2frm s HIS 278 Ca 0.28 -0.02 -0.08 0.00 -0.15 0.00 0.00 55.06 55.09 2frm s HIS 278 Cb -0.12 -0.00 0.06 0.00 1.11 0.00 0.00 32.58 33.62 2frm s HIS 278 CO 0.35 -0.33 0.42 0.66 -0.85 0.00 0.00 174.74 174.99 2frm n TYR 279 N 1.35 -1.74 -0.89 1.40 4.02 -1.26 -1.78 117.16 118.26 2frm n TYR 279 Ca -0.22 0.40 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 2frm n TYR 279 Cb 0.56 -2.89 0.00 0.00 -0.02 0.00 0.00 39.34 36.99 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 -1.11 0.18 3.97 2.72 0.00 -1.26 -5.00 105.19 104.69 2frm n GLY 280 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.45 5.04 -0.66 1.61 -7.23 -0.73 -5.02 120.40 111.95 2frm s VAL 281 Ca 0.00 -0.89 0.14 0.00 -1.81 0.00 0.00 61.98 59.42 2frm s VAL 281 Cb 0.00 -3.79 -0.15 0.00 0.56 0.00 0.00 36.38 33.00 2frm s VAL 281 CO 0.00 -0.35 0.60 2.29 -0.31 0.00 0.00 175.10 177.33 2frm n LYS 282 N -1.53 2.31 0.00 4.82 2.85 -1.26 -1.54 118.16 123.81 2frm n LYS 282 Ca -0.07 -0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 2frm n LYS 282 Cb 0.57 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.78 2frm n LYS 282 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2frm n GLY 283 N 1.34 -0.90 3.38 2.58 0.00 -1.04 -4.42 105.19 106.13 2frm n GLY 283 Ca 0.03 0.65 -0.13 0.00 0.00 0.00 0.00 46.02 46.56 2frm n GLY 283 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2frm s ILE 285 N 0.00 0.03 -0.07 -0.61 2.07 0.21 -4.92 121.20 117.92 2frm s ILE 285 Ca 0.00 -0.27 -0.28 0.00 -1.41 0.00 0.00 60.65 58.69 2frm s ILE 285 Cb 0.00 -0.99 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 2frm s ILE 285 CO 0.00 -0.15 0.91 -0.31 -1.91 0.00 0.00 174.94 173.48 2frm s TYR 286 N -2.62 3.57 0.18 3.50 1.51 -1.26 -0.06 117.35 122.17 2frm s TYR 286 Ca -0.04 1.51 -0.21 0.00 -1.01 0.00 0.00 57.07 57.32 2frm s TYR 286 Cb -0.00 -3.06 0.05 0.00 -0.11 0.00 0.00 41.96 38.84 2frm s TYR 286 CO -0.03 -0.08 0.57 0.00 -1.11 0.00 0.00 175.55 174.90 2frm s MET 287 N 1.40 1.33 -0.14 -0.62 0.23 -0.77 -4.83 119.30 115.91 2frm s MET 287 Ca 0.46 -0.65 -0.29 0.00 -1.03 0.00 0.00 55.69 54.18 2frm s MET 287 Cb -0.19 0.56 -0.02 0.00 -1.53 0.00 0.00 34.83 33.65 2frm s MET 287 CO 0.21 -0.58 1.37 0.20 -2.03 0.00 0.00 175.02 174.19 2frm s GLY 288 N -2.80 1.61 0.16 3.16 0.00 -1.13 -1.52 107.32 106.81 2frm s GLY 288 Ca 0.04 0.58 -0.09 0.00 0.00 0.00 0.00 44.72 45.26 2frm s GLY 288 CO -0.08 2.64 0.27 -1.34 0.00 0.00 0.00 173.10 174.59 2frm s VAL 289 N 3.64 0.07 -0.71 1.40 -7.23 -0.60 -0.92 120.40 116.05 2frm s VAL 289 Ca 0.60 -1.40 -0.25 0.00 -1.81 0.00 0.00 61.98 59.12 2frm s VAL 289 Cb -0.25 -1.83 0.05 0.00 0.56 0.00 0.00 36.38 34.91 2frm s VAL 289 CO 0.18 -0.31 1.15 -2.84 -0.31 0.00 0.00 175.10 172.97 2frm s PRO 290 N -3.97 3.16 0.55 4.82 0.02 -1.26 -1.17 135.00 137.15 2frm s PRO 290 Ca 0.17 -0.49 0.02 0.00 0.02 0.00 0.00 61.00 60.72 2frm s PRO 290 Cb 0.03 -4.20 0.04 0.00 0.02 0.00 0.00 34.50 30.39 2frm s PRO 290 CO -0.00 -2.01 0.77 0.95 -0.33 0.00 0.00 177.00 176.38 2frm s THR 291 N 5.05 2.65 -0.26 0.99 -4.23 -0.53 -0.55 115.64 118.76 2frm s THR 291 Ca 0.30 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 60.12 2frm s THR 291 Cb -0.12 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.80 2frm s THR 291 CO 0.13 0.00 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.52 2frm s ILE 292 N -2.76 2.76 -0.13 2.99 -1.09 0.42 -0.15 121.20 123.24 2frm s ILE 292 Ca 0.58 -1.24 -0.05 0.00 -2.23 0.00 0.00 60.65 57.71 2frm s ILE 292 Cb -0.10 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 2frm s ILE 292 CO 0.38 0.08 0.05 -0.63 -1.23 0.00 0.00 174.94 173.59 2frm s ILE 293 N 1.26 4.72 0.00 2.92 1.01 -0.28 -0.16 121.20 130.68 2frm s ILE 293 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2frm s ILE 293 Cb -0.18 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.23 2frm s ILE 293 CO -0.04 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2frm n GLY 294 N 2.73 4.38 0.06 6.18 0.00 0.04 -0.47 105.19 118.11 2frm n GLY 294 Ca -0.18 -1.28 0.06 0.00 0.00 0.00 0.00 46.02 44.62 2frm n GLY 294 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2frm n LYS 295 N 0.00 0.06 -0.78 1.61 0.00 -1.25 -0.97 118.16 116.83 2frm n LYS 295 Ca 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 58.31 58.75 2frm n LYS 295 Cb 0.00 -1.66 0.22 0.00 0.00 0.00 0.00 35.03 33.58 2frm n LYS 295 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2frm n ASN 296 N -1.78 3.02 0.00 3.14 5.15 -1.26 -5.05 115.26 118.48 2frm n ASN 296 Ca 0.01 -3.57 0.00 0.00 -0.60 0.00 0.00 54.58 50.42 2frm n ASN 296 Cb 0.07 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 38.68 2frm n ASN 296 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2frm n GLY 297 N -0.95 0.90 3.62 8.20 0.00 -0.15 -4.61 105.19 112.20 2frm n GLY 297 Ca 0.34 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 3.95 -1.06 1.61 1.01 -0.10 -0.78 120.40 125.02 2frm s VAL 298 Ca 0.00 1.04 0.15 0.00 0.00 0.00 0.00 61.98 63.17 2frm s VAL 298 Cb 0.00 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 2frm s VAL 298 CO 0.00 -0.50 0.74 -0.62 0.00 0.00 0.00 175.10 174.72 2frm n GLU 299 N 7.63 1.86 -3.62 2.72 1.02 0.78 -4.79 120.64 126.24 2frm n GLU 299 Ca 0.16 -0.38 0.01 0.00 -0.02 0.00 0.00 57.16 56.94 2frm n GLU 299 Cb 0.47 -1.24 -0.01 0.00 -0.02 0.00 0.00 31.44 30.64 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 -2.17 -0.06 -0.01 1.62 -1.08 -1.19 -4.96 116.67 108.81 2frm s ASP 301 Ca 0.09 -0.14 0.00 0.00 -0.52 0.00 0.00 52.55 51.99 2frm s ASP 301 Cb 0.12 0.17 0.01 0.00 -1.46 0.00 0.00 42.92 41.76 2frm s ASP 301 CO 0.52 -0.31 -0.00 -0.63 0.52 0.00 0.00 175.17 175.26 2frm s ILE 302 N -2.45 0.11 0.08 4.11 1.01 -1.26 -0.44 121.20 122.37 2frm s ILE 302 Ca 0.14 0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.68 2frm s ILE 302 Cb 0.04 -0.16 -0.06 0.00 0.01 0.00 0.00 42.46 42.29 2frm s ILE 302 CO -0.04 0.08 0.47 -0.76 0.00 0.00 0.00 174.94 174.70 2frm s LEU 303 N 0.49 4.40 -0.40 2.97 1.02 0.29 -4.99 118.68 122.46 2frm s LEU 303 Ca -0.04 1.00 -0.12 0.00 0.02 0.00 0.00 54.13 54.98 2frm s LEU 303 Cb -0.07 -2.96 0.04 0.00 0.02 0.00 0.00 46.19 43.23 2frm s LEU 303 CO -0.01 0.21 0.25 -1.61 0.02 0.00 0.00 176.35 175.21 2frm s GLU 304 N -1.59 2.81 0.35 1.70 2.02 -1.26 -4.44 118.70 118.29 2frm s GLU 304 Ca 0.31 -1.19 -0.15 0.00 0.02 0.00 0.00 54.97 53.97 2frm s GLU 304 Cb -0.16 -3.82 -0.09 0.00 0.10 0.00 0.00 34.13 30.16 2frm s GLU 304 CO 0.17 -0.80 0.77 -0.51 0.02 0.00 0.00 175.26 174.91 2frm s LEU 305 N 1.55 4.01 0.08 1.80 1.02 -1.26 -5.04 118.68 120.84 2frm s LEU 305 Ca 0.03 1.32 -0.30 0.00 0.02 0.00 0.00 54.13 55.19 2frm s LEU 305 Cb -0.21 -4.14 -0.05 0.00 0.02 0.00 0.00 46.19 41.82 2frm s LEU 305 CO 0.06 -0.26 0.97 -1.81 0.02 0.00 0.00 176.35 175.33 2frm s ASP 306 N -2.40 7.46 -0.09 2.29 -0.00 -1.26 -5.03 116.67 117.64 2frm s ASP 306 Ca 0.55 1.76 0.04 0.00 -0.00 0.00 0.00 52.55 54.89 2frm s ASP 306 Cb -0.10 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.24 2frm s ASP 306 CO 0.19 -0.12 -0.22 -0.76 -0.00 0.00 0.00 175.17 174.26 2frm s LEU 307 N 0.29 2.01 0.60 1.23 1.02 -1.26 -4.65 118.68 117.93 2frm s LEU 307 Ca 0.48 -0.50 -0.19 0.00 0.02 0.00 0.00 54.13 53.94 2frm s LEU 307 Cb -0.23 -1.29 -0.03 0.00 0.02 0.00 0.00 46.19 44.66 2frm s LEU 307 CO 0.29 0.15 1.23 0.42 0.02 0.00 0.00 176.35 178.46 2frm s THR 308 N 0.31 2.49 0.54 5.49 -4.23 -1.26 -4.63 115.64 114.35 2frm s THR 308 Ca -0.16 0.31 0.41 0.00 -1.18 0.00 0.00 61.69 61.07 2frm s THR 308 Cb -0.17 -3.12 0.61 0.00 1.34 0.00 0.00 72.50 71.16 2frm s THR 308 CO 0.07 -0.06 1.71 1.55 -0.54 0.00 0.00 174.62 177.35 2frm h PRO 309 N 0.84 0.02 -0.19 3.99 0.13 -1.99 0.39 132.00 135.18 2frm h PRO 309 Ca -0.51 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 2frm h PRO 309 Cb 1.31 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2frm h PRO 309 CO 0.55 0.01 -0.12 1.25 -0.23 0.00 0.00 178.00 179.46 2frm h LEU 310 N 0.02 0.44 -0.66 1.56 5.85 -2.00 -2.76 115.31 117.76 2frm h LEU 310 Ca 0.71 -0.43 -0.10 0.00 0.84 0.00 0.00 57.88 58.90 2frm h LEU 310 Cb 2.80 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 43.69 2frm h LEU 310 CO -0.04 0.78 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.50 2frm h GLU 311 N 0.11 1.03 -0.46 1.25 5.08 -0.58 -1.95 114.58 119.06 2frm h GLU 311 Ca 0.04 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2frm h GLU 311 Cb 0.62 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2frm h GLU 311 CO 0.03 1.02 0.29 0.37 -1.00 0.00 0.00 179.01 179.72 2frm h GLN 312 N 0.94 0.56 -0.30 2.33 4.15 -1.30 0.42 115.11 121.91 2frm h GLN 312 Ca 0.17 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 2frm h GLN 312 Cb 0.56 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2frm h GLN 312 CO 0.03 0.37 0.15 0.87 -1.93 0.00 0.00 178.83 178.32 2frm h LYS 313 N 0.58 0.42 -0.53 1.69 1.57 -1.31 0.58 116.57 119.58 2frm h LYS 313 Ca 0.18 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2frm h LYS 313 Cb -0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2frm h LYS 313 CO -0.06 0.39 0.10 1.25 -0.57 0.00 0.00 179.45 180.56 2frm h LEU 314 N 0.35 0.78 -0.92 2.94 5.85 -0.96 -1.52 115.31 121.82 2frm h LEU 314 Ca 0.10 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 2frm h LEU 314 Cb 0.11 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2frm h LEU 314 CO -0.01 0.79 0.05 0.25 -0.34 0.00 0.00 178.44 179.18 2frm h LEU 315 N 0.79 0.80 -1.25 2.25 5.85 0.24 -2.23 115.31 121.78 2frm h LEU 315 Ca 0.17 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2frm h LEU 315 Cb 0.34 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2frm h LEU 315 CO 0.00 0.84 -0.15 1.23 -0.34 0.00 0.00 178.44 180.03 2frm h GLY 316 N 0.98 0.36 0.99 3.75 0.00 0.03 -1.90 103.07 107.29 2frm h GLY 316 Ca 0.16 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 2frm h GLY 316 CO 0.01 0.22 -0.21 0.83 0.00 0.00 0.00 176.54 177.40 2frm h GLU 317 N 0.32 0.76 -0.18 4.80 5.08 -0.73 -1.52 114.58 123.10 2frm h GLU 317 Ca 0.06 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2frm h GLU 317 Cb 0.45 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2frm h GLU 317 CO 0.03 0.96 0.12 0.77 -1.00 0.00 0.00 179.01 179.89 2frm h SER 318 N 0.54 0.20 -0.09 1.42 0.02 -1.17 -0.44 113.55 114.02 2frm h SER 318 Ca 0.07 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2frm h SER 318 Cb 0.76 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.20 2frm h SER 318 CO 0.06 0.14 -0.22 0.40 -1.14 0.00 0.00 176.83 176.07 2frm h ILE 319 N 0.24 0.46 -0.97 3.27 2.04 -1.25 -1.46 117.51 119.84 2frm h ILE 319 Ca 0.07 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.06 2frm h ILE 319 Cb -0.02 0.46 -0.09 0.00 -0.74 0.00 0.00 36.82 36.44 2frm h ILE 319 CO -0.02 0.00 0.60 -1.13 0.00 0.00 0.00 178.15 177.60 2frm h ASN 320 N -0.30 0.86 -0.44 1.72 -1.24 -0.84 -0.06 115.58 115.27 2frm h ASN 320 Ca 0.09 0.06 -0.04 0.00 0.71 0.00 0.00 56.30 57.11 2frm h ASN 320 Cb 0.43 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 2frm h ASN 320 CO -0.27 0.44 0.13 -0.08 -1.29 0.00 0.00 177.43 176.36 2frm h GLU 321 N 0.92 0.76 0.13 6.67 4.81 -0.17 -1.16 114.58 126.54 2frm h GLU 321 Ca 0.49 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 2frm h GLU 321 Cb 0.54 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2frm h GLU 321 CO -0.28 0.68 -0.06 0.28 -0.73 0.00 0.00 179.01 178.89 2frm h VAL 322 N 0.73 1.01 -0.15 0.32 2.07 -0.06 -1.40 116.25 118.78 2frm h VAL 322 Ca 0.17 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.07 2frm h VAL 322 Cb 0.26 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2frm h VAL 322 CO -0.00 0.15 -0.09 0.78 0.02 0.00 0.00 177.57 178.43 2frm h ASN 323 N -0.50 -0.29 0.37 0.57 2.35 -1.15 -1.04 115.58 115.89 2frm h ASN 323 Ca -0.02 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2frm h ASN 323 Cb 0.39 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.92 2frm h ASN 323 CO 0.03 -0.12 -0.18 0.74 -1.65 0.00 0.00 177.43 176.25 2frm h THR 324 N -0.08 0.65 0.00 2.81 2.02 -1.24 -2.43 112.91 114.63 2frm h THR 324 Ca 0.09 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2frm h THR 324 Cb 0.22 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2frm h THR 324 CO -0.21 0.02 -0.01 0.40 0.37 0.00 0.00 175.52 176.10 2frm h ILE 325 N -0.55 0.78 0.00 3.11 2.04 -1.20 0.67 117.51 122.36 2frm h ILE 325 Ca -0.05 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2frm h ILE 325 Cb 0.41 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2frm h ILE 325 CO 0.08 0.01 0.00 -1.20 0.00 0.00 0.00 178.15 177.04 2frm n SER 326 N -4.20 0.00 0.10 1.72 7.64 -0.40 -1.94 113.62 116.55 2frm n SER 326 Ca -0.03 0.12 0.13 0.00 1.01 0.00 0.00 58.87 60.10 2frm n SER 326 Cb 0.09 -0.36 0.29 0.00 -1.01 0.00 0.00 64.21 63.22 2frm n SER 326 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2frm h LYS 327 N 0.00 0.00 0.00 1.43 1.79 0.82 -3.39 116.57 117.22 2frm h LYS 327 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2frm h LYS 327 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2frm h LYS 327 CO 0.00 0.00 0.00 0.28 -1.08 0.00 0.00 179.45 178.65 2frm n VAL 328 N -2.31 0.00 0.00 0.50 0.31 -0.82 -5.12 118.33 110.90 2frm n VAL 328 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2frm n VAL 328 Cb 0.45 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 2frm n VAL 328 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69