#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frf s PRO 8 N 0.00 4.13 -0.28 -2.82 0.02 -1.26 -4.97 135.00 129.81 1frf s PRO 8 Ca 0.00 2.57 -0.17 0.00 0.02 0.00 0.00 61.00 63.43 1frf s PRO 8 Cb 0.00 -3.06 0.10 0.00 0.02 0.00 0.00 34.50 31.56 1frf s PRO 8 CO 0.00 -0.68 0.77 -1.14 -0.33 0.00 0.00 177.00 175.61 1frf s GLN 9 N 0.38 0.63 0.55 5.54 0.74 -1.26 -3.94 119.66 122.31 1frf s GLN 9 Ca 0.69 1.07 -0.09 0.00 0.05 0.00 0.00 55.36 57.08 1frf s GLN 9 Cb -0.48 0.14 0.13 0.00 1.10 0.00 0.00 33.01 33.89 1frf s GLN 9 CO 0.39 -0.13 0.75 -1.13 -0.55 0.00 0.00 175.29 174.62 1frf n SER 10 N 4.04 0.09 -0.65 6.67 3.41 0.87 -4.84 113.62 123.21 1frf n SER 10 Ca -0.19 -1.29 0.07 0.00 -0.26 0.00 0.00 58.87 57.19 1frf n SER 10 Cb 0.58 -0.57 0.11 0.00 -0.26 0.00 0.00 64.21 64.07 1frf n SER 10 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1frf n THR 11 N -3.01 0.39 -1.66 6.66 -2.24 -1.26 -2.93 114.28 110.23 1frf n THR 11 Ca 0.09 -0.69 -0.55 0.00 -2.27 0.00 0.00 64.05 60.63 1frf n THR 11 Cb 0.33 0.99 -0.07 0.00 -2.10 0.00 0.00 70.33 69.48 1frf n THR 11 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1frf n PHE 12 N 0.78 1.82 -4.53 4.78 -0.00 -1.26 -3.62 117.46 115.43 1frf n PHE 12 Ca 0.11 0.58 -0.27 0.00 -0.00 0.00 0.00 57.45 57.86 1frf n PHE 12 Cb 0.40 -2.40 -0.17 0.00 -0.00 0.00 0.00 39.48 37.31 1frf n PHE 12 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 1frf s THR 13 N 2.22 1.39 0.00 -2.13 -1.32 -1.25 -0.29 115.64 114.26 1frf s THR 13 Ca 0.92 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 1frf s THR 13 Cb -1.02 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 68.70 1frf s THR 13 CO 0.57 0.42 0.00 0.61 -2.21 0.00 0.00 174.62 174.01 1frf n GLY 14 N 4.06 1.74 3.85 6.08 0.00 -0.01 -4.98 105.19 115.93 1frf n GLY 14 Ca -0.20 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 1frf n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1frf s PRO 15 N -1.52 3.91 0.01 1.61 0.04 -1.26 -0.34 135.00 137.45 1frf s PRO 15 Ca 0.00 0.40 0.04 0.00 0.04 0.00 0.00 61.00 61.47 1frf s PRO 15 Cb 0.00 -2.87 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 1frf s PRO 15 CO 0.00 0.45 -0.12 0.42 0.04 0.00 0.00 177.00 177.78 1frf s ILE 16 N -1.55 0.97 -0.02 0.56 1.01 -0.80 -4.95 121.20 116.42 1frf s ILE 16 Ca 0.40 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1frf s ILE 16 Cb -0.14 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.50 1frf s ILE 16 CO 0.20 0.14 -0.05 0.54 0.00 0.00 0.00 174.94 175.76 1frf s VAL 17 N -0.53 0.49 -0.32 2.92 0.11 -1.26 -1.44 120.40 120.38 1frf s VAL 17 Ca 0.03 -0.18 -0.02 0.00 -2.93 0.00 0.00 61.98 58.87 1frf s VAL 17 Cb -0.06 -0.48 0.06 0.00 -1.53 0.00 0.00 36.38 34.37 1frf s VAL 17 CO 0.00 0.18 0.04 -0.69 -3.33 0.00 0.00 175.10 171.30 1frf s VAL 18 N 0.41 3.13 -0.18 2.04 1.01 -0.01 -4.97 120.40 121.81 1frf s VAL 18 Ca -0.05 -1.43 -0.05 0.00 0.00 0.00 0.00 61.98 60.45 1frf s VAL 18 Cb -0.09 -2.84 0.09 0.00 0.00 0.00 0.00 36.38 33.55 1frf s VAL 18 CO -0.00 -0.19 0.32 -0.62 0.00 0.00 0.00 175.10 174.61 1frf s ASP 19 N 1.33 0.34 0.56 3.32 -1.08 -1.26 -1.62 116.67 118.26 1frf s ASP 19 Ca -0.03 0.48 -0.14 0.00 -0.52 0.00 0.00 52.55 52.34 1frf s ASP 19 Cb -0.20 0.91 -0.06 0.00 -1.46 0.00 0.00 42.92 42.11 1frf s ASP 19 CO -0.01 -0.27 0.99 -2.16 0.52 0.00 0.00 175.17 174.25 1frf s PRO 20 N 2.48 3.78 -0.37 4.34 0.04 -1.26 -5.10 135.00 138.91 1frf s PRO 20 Ca 0.04 0.83 -0.20 0.00 0.04 0.00 0.00 61.00 61.70 1frf s PRO 20 Cb -0.13 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.29 1frf s PRO 20 CO -0.12 -0.39 0.64 0.42 0.04 0.00 0.00 177.00 177.58 1frf s ILE 21 N -2.87 4.88 0.50 0.56 -1.09 -0.83 -5.04 121.20 117.31 1frf s ILE 21 Ca 0.57 0.52 0.03 0.00 -2.23 0.00 0.00 60.65 59.54 1frf s ILE 21 Cb -0.10 -4.09 0.02 0.00 -1.58 0.00 0.00 42.46 36.70 1frf s ILE 21 CO 0.42 -0.35 0.70 0.42 -1.23 0.00 0.00 174.94 174.89 1frf s THR 22 N 2.73 2.92 -1.36 2.92 -4.23 -1.26 -4.49 115.64 112.87 1frf s THR 22 Ca 0.24 -0.76 -0.09 0.00 -1.18 0.00 0.00 61.69 59.91 1frf s THR 22 Cb -0.14 -3.05 0.01 0.00 1.34 0.00 0.00 72.50 70.65 1frf s THR 22 CO 0.15 -0.03 1.17 0.54 -0.54 0.00 0.00 174.62 175.91 1frf n ARG 23 N -2.16 -7.79 -4.13 3.99 1.74 -1.26 -5.00 116.66 102.06 1frf n ARG 23 Ca 0.07 0.82 -0.12 0.00 -0.77 0.00 0.00 57.85 57.85 1frf n ARG 23 Cb 0.59 -5.87 -0.07 0.00 -1.02 0.00 0.00 32.46 26.09 1frf n ARG 23 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1frf s ILE 24 N -3.32 0.00 -0.11 0.55 -4.36 -1.26 -4.73 121.20 107.97 1frf s ILE 24 Ca 0.55 -1.75 -0.05 0.00 -0.26 0.00 0.00 60.65 59.14 1frf s ILE 24 Cb -0.24 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.00 1frf s ILE 24 CO 0.73 0.00 0.09 -0.70 0.24 0.00 0.00 174.94 175.31 1frf s GLU 25 N -3.88 3.30 0.19 0.37 -6.30 -1.04 -4.99 118.70 106.34 1frf s GLU 25 Ca 0.33 -0.23 0.00 0.00 -2.50 0.00 0.00 54.97 52.57 1frf s GLU 25 Cb 0.03 -3.06 0.00 0.00 0.00 0.00 0.00 34.13 31.10 1frf s GLU 25 CO 0.14 0.74 0.00 0.41 0.02 0.00 0.00 175.26 176.57 1frf n GLY 26 N 2.07 -2.70 3.39 -1.50 0.00 -1.26 -1.20 105.19 103.99 1frf n GLY 26 Ca -0.19 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 1frf n GLY 26 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1frf s HIS 27 N -0.71 3.25 -0.07 1.61 3.76 -1.26 -4.83 115.29 117.04 1frf s HIS 27 Ca 0.00 -0.90 0.03 0.00 -0.15 0.00 0.00 55.06 54.04 1frf s HIS 27 Cb 0.00 -2.50 0.01 0.00 1.11 0.00 0.00 32.58 31.20 1frf s HIS 27 CO 0.00 -0.65 -0.14 -1.17 -0.85 0.00 0.00 174.74 171.93 1frf s LEU 28 N 1.58 1.73 -0.17 0.89 2.96 -1.26 -0.41 118.68 124.00 1frf s LEU 28 Ca 0.03 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1frf s LEU 28 Cb -0.19 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.55 1frf s LEU 28 CO 0.07 0.06 -0.04 -0.60 -1.32 0.00 0.00 176.35 174.52 1frf s ARG 29 N 0.58 3.59 -0.11 1.98 3.52 0.59 -1.97 118.95 127.13 1frf s ARG 29 Ca -0.15 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 1frf s ARG 29 Cb -0.16 -2.93 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1frf s ARG 29 CO 0.05 0.13 -0.16 0.42 -0.81 0.00 0.00 175.30 174.93 1frf s ILE 30 N 0.65 2.82 -0.13 4.11 -1.09 -0.64 -0.82 121.20 126.10 1frf s ILE 30 Ca -0.02 -0.76 -0.00 0.00 -2.23 0.00 0.00 60.65 57.63 1frf s ILE 30 Cb -0.14 -2.15 0.03 0.00 -1.58 0.00 0.00 42.46 38.62 1frf s ILE 30 CO 0.02 0.54 -0.07 0.00 -1.23 0.00 0.00 174.94 174.21 1frf s MET 31 N 0.14 1.53 0.25 2.79 0.23 -0.94 -0.83 119.30 122.46 1frf s MET 31 Ca -0.08 -0.33 0.09 0.00 -1.03 0.00 0.00 55.69 54.34 1frf s MET 31 Cb -0.15 -1.72 -0.05 0.00 -1.53 0.00 0.00 34.83 31.38 1frf s MET 31 CO 0.05 -0.31 -0.16 0.14 -2.03 0.00 0.00 175.02 172.72 1frf s VAL 32 N 1.68 2.04 -0.15 5.16 -7.23 -0.52 0.05 120.40 121.43 1frf s VAL 32 Ca 0.04 -2.28 -0.00 0.00 -1.81 0.00 0.00 61.98 57.92 1frf s VAL 32 Cb -0.13 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 1frf s VAL 32 CO -0.08 -0.48 -0.13 -1.61 -0.31 0.00 0.00 175.10 172.49 1frf s GLU 33 N -3.60 3.29 -0.15 4.82 0.41 -0.54 -1.91 118.70 121.03 1frf s GLU 33 Ca 0.26 -0.71 -0.03 0.00 -0.41 0.00 0.00 54.97 54.08 1frf s GLU 33 Cb -0.02 -2.68 -0.03 0.00 -1.78 0.00 0.00 34.13 29.63 1frf s GLU 33 CO 0.11 0.06 -0.04 0.08 -0.49 0.00 0.00 175.26 174.97 1frf s VAL 34 N 0.74 3.85 -0.17 2.63 1.01 0.54 -0.44 120.40 128.57 1frf s VAL 34 Ca -0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1frf s VAL 34 Cb -0.15 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1frf s VAL 34 CO 0.01 0.50 -0.11 -0.70 0.00 0.00 0.00 175.10 174.81 1frf s GLU 35 N 0.29 3.34 -1.72 2.72 -6.30 -0.01 -0.83 118.70 116.20 1frf s GLU 35 Ca -0.04 -0.68 -0.13 0.00 -2.50 0.00 0.00 54.97 51.62 1frf s GLU 35 Cb -0.14 -2.76 0.13 0.00 0.00 0.00 0.00 34.13 31.36 1frf s GLU 35 CO 0.03 0.03 0.33 0.09 0.02 0.00 0.00 175.26 175.76 1frf n ASN 36 N 4.07 -0.56 0.00 -1.70 5.03 -0.87 -0.62 115.26 120.60 1frf n ASN 36 Ca -0.18 -1.25 0.00 0.00 0.87 0.00 0.00 54.58 54.01 1frf n ASN 36 Cb 0.52 -1.58 0.00 0.00 -1.02 0.00 0.00 39.78 37.70 1frf n ASN 36 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1frf n GLY 37 N -1.74 0.73 3.18 7.41 0.00 0.60 -4.35 105.19 111.00 1frf n GLY 37 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 1frf n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1frf s LYS 38 N -0.10 1.65 0.09 1.61 1.02 0.20 0.56 119.74 124.78 1frf s LYS 38 Ca 0.00 -0.66 -0.31 0.00 0.02 0.00 0.00 55.97 55.02 1frf s LYS 38 Cb 0.00 -1.53 -0.07 0.00 -0.52 0.00 0.00 37.83 35.71 1frf s LYS 38 CO 0.00 0.35 1.34 0.08 -0.92 0.00 0.00 175.35 176.20 1frf s VAL 39 N -0.28 3.53 -0.03 3.17 1.01 0.14 -0.83 120.40 127.11 1frf s VAL 39 Ca 0.03 1.09 0.16 0.00 0.00 0.00 0.00 61.98 63.26 1frf s VAL 39 Cb -0.09 -3.70 -0.25 0.00 0.00 0.00 0.00 36.38 32.35 1frf s VAL 39 CO 0.00 0.08 0.34 2.29 0.00 0.00 0.00 175.10 177.82 1frf n LYS 40 N 4.02 0.52 -3.56 2.72 2.85 0.42 0.58 118.16 125.71 1frf n LYS 40 Ca 0.11 -0.14 -0.15 0.00 -1.05 0.00 0.00 58.31 57.08 1frf n LYS 40 Cb 0.43 -1.38 -0.05 0.00 -0.65 0.00 0.00 35.03 33.38 1frf n LYS 40 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1frf s ASP 41 N -3.89 -0.50 0.06 -5.58 2.15 -1.20 -4.91 116.67 102.80 1frf s ASP 41 Ca -0.06 0.30 -0.06 0.00 0.43 0.00 0.00 52.55 53.16 1frf s ASP 41 Cb 0.10 0.50 -0.01 0.00 -0.30 0.00 0.00 42.92 43.21 1frf s ASP 41 CO 0.67 -0.70 0.12 0.00 -0.17 0.00 0.00 175.17 175.09 1frf s ALA 42 N -2.17 -0.05 -0.03 3.66 0.00 -1.26 -1.46 121.76 120.45 1frf s ALA 42 Ca -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1frf s ALA 42 Cb -0.01 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.48 1frf s ALA 42 CO 0.01 -0.41 -0.00 -1.58 0.00 0.00 0.00 175.76 173.78 1frf s TRP 43 N -3.34 0.30 -0.46 0.00 0.51 0.11 -4.91 118.94 111.15 1frf s TRP 43 Ca 0.01 -0.00 -0.10 0.00 -2.12 0.00 0.00 56.10 53.89 1frf s TRP 43 Cb 0.03 -0.38 0.10 0.00 -0.81 0.00 0.00 33.47 32.41 1frf s TRP 43 CO -0.08 -0.11 0.33 0.45 -0.51 0.00 0.00 176.95 177.02 1frf s SER 44 N 0.90 5.75 -0.48 2.95 0.15 -1.26 -2.21 113.70 119.50 1frf s SER 44 Ca -0.09 -1.69 -0.14 0.00 0.70 0.00 0.00 55.95 54.73 1frf s SER 44 Cb -0.12 -2.03 0.09 0.00 -1.71 0.00 0.00 66.02 62.24 1frf s SER 44 CO -0.02 -0.64 0.39 -0.55 1.20 0.00 0.00 173.24 173.62 1frf s SER 45 N 2.52 6.02 -0.10 5.45 0.15 -0.00 -4.41 113.70 123.32 1frf s SER 45 Ca 0.04 -1.52 -0.29 0.00 0.70 0.00 0.00 55.95 54.89 1frf s SER 45 Cb -0.25 -2.14 -0.01 0.00 -1.71 0.00 0.00 66.02 61.91 1frf s SER 45 CO 0.01 -0.68 0.97 -0.44 1.20 0.00 0.00 173.24 174.31 1frf s SER 46 N 2.73 7.21 0.00 5.45 0.01 -1.25 -0.30 113.70 127.55 1frf s SER 46 Ca 0.04 1.48 0.25 0.00 1.31 0.00 0.00 55.95 59.03 1frf s SER 46 Cb -0.25 -2.54 0.51 0.00 0.21 0.00 0.00 66.02 63.94 1frf s SER 46 CO 0.04 -0.41 1.41 0.00 0.41 0.00 0.00 173.24 174.69 1frf n GLN 47 N 4.88 0.90 -4.44 12.44 1.13 0.45 -2.82 117.38 129.92 1frf n GLN 47 Ca 0.08 -0.61 -0.20 0.00 -1.94 0.00 0.00 57.00 54.32 1frf n GLN 47 Cb 0.49 -1.49 -0.15 0.00 0.11 0.00 0.00 30.24 29.20 1frf n GLN 47 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1frf s LEU 48 N -2.52 1.88 -0.08 1.08 2.96 -1.26 -5.02 118.68 115.72 1frf s LEU 48 Ca 0.22 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1frf s LEU 48 Cb 0.19 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.29 1frf s LEU 48 CO 0.55 0.09 -0.20 0.12 -1.32 0.00 0.00 176.35 175.59 1frf s PHE 49 N 0.03 2.60 -0.13 5.38 5.36 -1.26 -4.84 117.98 125.11 1frf s PHE 49 Ca -0.01 -0.64 -0.06 0.00 -0.96 0.00 0.00 56.93 55.26 1frf s PHE 49 Cb -0.07 -1.68 -0.06 0.00 -0.34 0.00 0.00 43.02 40.87 1frf s PHE 49 CO 0.00 -0.17 -0.17 0.54 -1.46 0.00 0.00 175.22 173.97 1frf n ARG 50 N 3.06 0.28 0.00 10.12 1.74 -1.26 -5.10 116.66 125.50 1frf n ARG 50 Ca -0.18 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1frf n ARG 50 Cb 0.52 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1frf n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1frf n GLY 51 N 2.21 2.09 5.37 -0.13 0.00 -1.21 -5.00 105.19 108.51 1frf n GLY 51 Ca -0.26 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1frf n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1frf n LEU 52 N 0.00 0.00 -0.30 0.99 4.32 -1.22 -2.69 117.00 118.10 1frf n LEU 52 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.06 1frf n LEU 52 Cb 0.00 0.00 0.22 0.00 -1.62 0.00 0.00 43.42 42.02 1frf n LEU 52 CO 0.00 0.00 1.12 -0.33 -1.22 0.00 0.00 177.39 176.96 1frf h GLU 53 N 0.00 0.65 0.05 3.23 5.08 -1.82 0.56 114.58 122.33 1frf h GLU 53 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1frf h GLU 53 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1frf h GLU 53 CO 0.00 0.43 -0.03 0.82 -1.00 0.00 0.00 179.01 179.23 1frf h ILE 54 N 0.67 1.24 -0.41 3.13 2.04 -1.82 -3.12 117.51 119.24 1frf h ILE 54 Ca 0.46 -1.04 0.12 0.00 1.00 0.00 0.00 64.86 65.40 1frf h ILE 54 Cb 0.62 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 1frf h ILE 54 CO -0.34 0.26 0.34 0.40 0.00 0.00 0.00 178.15 178.80 1frf h ILE 55 N -0.54 0.62 0.00 -0.67 2.04 -1.58 -1.89 117.51 115.48 1frf h ILE 55 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1frf h ILE 55 Cb 0.48 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1frf h ILE 55 CO 0.01 0.00 -0.27 -0.07 0.00 0.00 0.00 178.15 177.82 1frf h LEU 56 N 0.00 0.00 -9.61 1.44 3.38 -0.85 -3.46 115.31 106.21 1frf h LEU 56 Ca 0.19 -0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.64 1frf h LEU 56 Cb 0.87 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.67 1frf h LEU 56 CO -0.00 0.00 1.05 -0.75 0.09 0.00 0.00 178.44 178.83 1frf s LYS 57 N -3.25 4.13 0.00 1.13 2.20 -0.71 -2.05 119.74 121.19 1frf s LYS 57 Ca 0.05 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 1frf s LYS 57 Cb 0.06 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 1frf s LYS 57 CO 0.70 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 1frf n GLY 58 N 4.07 1.33 3.93 5.54 0.00 0.30 -4.97 105.19 115.39 1frf n GLY 58 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1frf n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1frf s ARG 59 N -0.39 2.46 -0.00 1.61 0.52 -0.87 -4.44 118.95 117.83 1frf s ARG 59 Ca 0.00 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 54.73 1frf s ARG 59 Cb 0.00 -2.21 -0.06 0.00 0.52 0.00 0.00 34.95 33.20 1frf s ARG 59 CO 0.00 -1.04 1.51 0.34 0.02 0.00 0.00 175.30 176.13 1frf s ASP 60 N -4.44 6.75 0.32 0.23 2.15 -1.26 -0.69 116.67 119.73 1frf s ASP 60 Ca 0.58 2.21 0.09 0.00 0.43 0.00 0.00 52.55 55.86 1frf s ASP 60 Cb -0.11 -2.55 0.90 0.00 -0.30 0.00 0.00 42.92 40.86 1frf s ASP 60 CO 0.45 -0.81 1.69 -0.65 -0.17 0.00 0.00 175.17 175.68 1frf h PRO 61 N 8.33 0.40 -0.05 4.34 0.11 -1.90 -0.41 132.00 142.83 1frf h PRO 61 Ca -0.39 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.71 1frf h PRO 61 Cb 1.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1frf h PRO 61 CO 0.92 0.27 0.05 0.00 -0.21 0.00 0.00 178.00 179.03 1frf h ARG 62 N 0.41 0.00 0.00 1.05 3.08 -1.95 -2.19 114.38 114.78 1frf h ARG 62 Ca 0.65 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.69 1frf h ARG 62 Cb 1.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.38 1frf h ARG 62 CO -0.55 0.00 -0.06 -0.44 -1.07 0.00 0.00 179.97 177.85 1frf h ASP 63 N 0.00 0.00 -0.51 7.04 3.32 -1.45 -3.39 116.42 121.42 1frf h ASP 63 Ca 0.02 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.17 1frf h ASP 63 Cb 0.12 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.59 1frf h ASP 63 CO -0.00 0.04 0.01 0.00 -1.72 0.00 0.00 179.24 177.58 1frf h ALA 64 N 1.96 0.49 -0.87 3.45 0.00 -1.41 -2.26 119.26 120.62 1frf h ALA 64 Ca -0.00 0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.27 1frf h ALA 64 Cb 1.03 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1frf h ALA 64 CO 0.01 -0.38 0.59 -0.56 0.00 0.00 0.00 179.25 178.91 1frf h GLN 65 N 0.13 0.29 -0.08 0.00 3.07 -1.79 -0.47 115.11 116.25 1frf h GLN 65 Ca 0.26 -0.02 -0.21 0.00 0.09 0.00 0.00 58.65 58.77 1frf h GLN 65 Cb 0.39 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.88 1frf h GLN 65 CO -0.42 0.19 -0.80 0.45 0.09 0.00 0.00 178.83 178.35 1frf h HIS 66 N 0.29 0.73 0.05 0.06 3.86 -1.70 -2.24 115.15 116.21 1frf h HIS 66 Ca 0.44 -0.34 -0.19 0.00 -1.16 0.00 0.00 60.37 59.13 1frf h HIS 66 Cb 1.27 -0.11 0.02 0.00 1.06 0.00 0.00 27.41 29.65 1frf h HIS 66 CO -0.00 1.13 -0.76 0.74 0.86 0.00 0.00 177.93 179.90 1frf h PHE 67 N 0.35 0.67 0.00 2.45 -1.00 -1.20 -3.32 116.94 114.89 1frf h PHE 67 Ca -0.05 -0.40 -0.11 0.00 2.81 0.00 0.00 57.97 60.22 1frf h PHE 67 Cb 1.40 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.88 1frf h PHE 67 CO 0.06 1.24 -0.51 1.79 -1.61 0.00 0.00 178.31 179.28 1frf h THR 68 N -0.09 1.32 0.00 -1.55 1.35 -1.23 -2.60 112.91 110.10 1frf h THR 68 Ca -0.11 -1.79 -0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1frf h THR 68 Cb 1.49 1.98 -0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1frf h THR 68 CO 0.15 0.50 -0.01 -0.61 -0.25 0.00 0.00 175.52 175.30 1frf h GLN 69 N 0.00 0.00 -0.01 4.72 4.15 -1.50 -1.25 115.11 121.22 1frf h GLN 69 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1frf h GLN 69 Cb 0.94 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.63 1frf h GLN 69 CO 0.07 0.01 -0.01 0.54 -1.93 0.00 0.00 178.83 177.50 1frf n ARG 70 N -3.22 1.17 0.24 1.69 3.00 -0.98 -3.22 116.66 115.35 1frf n ARG 70 Ca -0.03 -0.33 0.09 0.00 -0.01 0.00 0.00 57.85 57.58 1frf n ARG 70 Cb 0.10 -1.49 0.62 0.00 0.00 0.00 0.00 32.46 31.69 1frf n ARG 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1frf h ALA 71 N 4.07 1.48 -2.11 7.54 0.00 -1.36 -3.43 119.26 125.45 1frf h ALA 71 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1frf h ALA 71 Cb 0.19 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.76 1frf h ALA 71 CO 0.00 0.19 0.09 0.00 0.00 0.00 0.00 179.25 179.53 1frf n GLY 73 N 1.78 -0.11 0.08 0.00 0.00 -1.26 -3.93 105.19 101.75 1frf n GLY 73 Ca -0.17 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1frf n GLY 73 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1frf h VAL 74 N 1.27 0.31 0.00 1.61 2.07 -1.95 -3.35 116.25 116.21 1frf h VAL 74 Ca 0.00 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1frf h VAL 74 Cb 0.44 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1frf h VAL 74 CO 0.00 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1frf n THR 76 N 0.01 0.32 0.00 0.00 -2.24 -1.25 -2.73 114.28 108.39 1frf n THR 76 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1frf n THR 76 Cb 0.08 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1frf n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1frf n TYR 77 N -0.47 0.00 -0.34 4.78 9.36 -1.26 -4.71 117.16 124.52 1frf n TYR 77 Ca 0.05 0.00 0.23 0.00 3.32 0.00 0.00 57.90 61.50 1frf n TYR 77 Cb 0.19 0.00 0.46 0.00 -0.63 0.00 0.00 39.34 39.36 1frf n TYR 77 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1frf h VAL 78 N 0.00 0.35 -0.02 2.97 -1.51 -1.91 0.53 116.25 116.66 1frf h VAL 78 Ca 0.00 -0.13 -0.17 0.00 -1.23 0.00 0.00 66.70 65.17 1frf h VAL 78 Cb 0.00 -0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 29.09 1frf h VAL 78 CO 0.00 0.07 -0.77 0.45 -1.23 0.00 0.00 177.57 176.09 1frf h HIS 79 N 0.37 0.21 -0.16 5.19 3.86 -1.84 0.20 115.15 122.97 1frf h HIS 79 Ca 0.72 -0.10 -0.14 0.00 -1.16 0.00 0.00 60.37 59.69 1frf h HIS 79 Cb 1.61 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 30.04 1frf h HIS 79 CO -0.01 0.86 -0.48 0.00 0.86 0.00 0.00 177.93 179.16 1frf h ALA 80 N 1.11 0.87 0.23 2.45 0.00 -0.34 -0.28 119.26 123.30 1frf h ALA 80 Ca -0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1frf h ALA 80 Cb 1.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1frf h ALA 80 CO 0.11 0.66 -0.11 1.25 0.00 0.00 0.00 179.25 181.16 1frf h LEU 81 N 0.34 -0.27 -0.90 0.00 5.85 -0.17 0.45 115.31 120.61 1frf h LEU 81 Ca 0.02 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.56 1frf h LEU 81 Cb 0.97 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 1frf h LEU 81 CO 0.08 0.17 0.56 0.00 -0.34 0.00 0.00 178.44 178.92 1frf h ALA 82 N -0.20 1.26 -0.45 1.25 0.00 -0.57 0.12 119.26 120.68 1frf h ALA 82 Ca -0.03 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1frf h ALA 82 Cb 0.51 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1frf h ALA 82 CO 0.05 0.28 -0.23 0.77 0.00 0.00 0.00 179.25 180.12 1frf h SER 83 N 0.99 0.98 -0.55 0.00 0.02 -1.03 -0.97 113.55 112.99 1frf h SER 83 Ca 0.40 -0.41 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1frf h SER 83 Cb 0.24 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1frf h SER 83 CO -0.19 1.17 0.18 0.28 -1.14 0.00 0.00 176.83 177.12 1frf h SER 84 N 0.79 0.81 -0.10 3.07 0.02 0.34 -1.67 113.55 116.80 1frf h SER 84 Ca 0.10 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 1frf h SER 84 Cb 0.81 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1frf h SER 84 CO 0.07 0.80 -0.09 0.03 -1.14 0.00 0.00 176.83 176.50 1frf h ARG 85 N 0.77 0.40 -0.10 3.45 3.08 -0.75 -0.36 114.38 120.88 1frf h ARG 85 Ca 0.18 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1frf h ARG 85 Cb 0.28 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1frf h ARG 85 CO -0.01 0.50 -0.01 0.00 -1.07 0.00 0.00 179.97 179.38 1frf h VAL 87 N -0.12 1.47 -0.34 0.00 2.07 -1.20 -1.62 116.25 116.50 1frf h VAL 87 Ca 0.03 -2.35 -0.04 0.00 0.82 0.00 0.00 66.70 65.15 1frf h VAL 87 Cb 0.40 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1frf h VAL 87 CO 0.01 0.67 0.03 0.44 0.02 0.00 0.00 177.57 178.74 1frf h ASP 88 N 0.00 0.48 0.29 0.57 3.45 -1.07 0.65 116.42 120.79 1frf h ASP 88 Ca -0.01 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.36 1frf h ASP 88 Cb 1.22 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 1frf h ASP 88 CO 0.09 0.52 -0.14 -0.78 -1.57 0.00 0.00 179.24 177.36 1frf h ASP 89 N 0.50 -0.33 -0.89 6.45 -0.00 -0.78 0.27 116.42 121.63 1frf h ASP 89 Ca 0.11 -0.19 0.09 0.00 -0.00 0.00 0.00 57.03 57.04 1frf h ASP 89 Cb 0.28 0.08 -0.06 0.00 -0.00 0.00 0.00 39.33 39.63 1frf h ASP 89 CO 0.00 0.14 0.58 0.00 -0.00 0.00 0.00 179.24 179.97 1frf h ALA 90 N -0.58 1.60 0.00 -0.78 0.00 -1.21 -0.36 119.26 117.93 1frf h ALA 90 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1frf h ALA 90 Cb 0.50 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1frf h ALA 90 CO 0.07 0.24 -0.02 0.28 0.00 0.00 0.00 179.25 179.81 1frf h VAL 91 N 0.93 0.04 -4.29 0.00 2.07 -0.90 -3.41 116.25 110.69 1frf h VAL 91 Ca 0.40 -0.87 -0.24 0.00 0.82 0.00 0.00 66.70 66.81 1frf h VAL 91 Cb 0.33 1.84 0.10 0.00 -1.52 0.00 0.00 31.29 32.04 1frf h VAL 91 CO -0.16 0.02 -0.48 0.29 0.02 0.00 0.00 177.57 177.26 1frf n LYS 92 N -3.11 -4.83 -4.25 1.57 4.76 -0.10 -4.63 118.16 107.57 1frf n LYS 92 Ca 0.03 0.55 -0.35 0.00 -2.87 0.00 0.00 58.31 55.67 1frf n LYS 92 Cb 0.46 -4.73 -0.09 0.00 -1.84 0.00 0.00 35.03 28.83 1frf n LYS 92 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1frf s VAL 93 N -3.22 4.56 -0.53 -0.18 0.11 -0.13 -5.03 120.40 115.97 1frf s VAL 93 Ca 0.20 -0.15 -0.09 0.00 -2.93 0.00 0.00 61.98 59.01 1frf s VAL 93 Cb -0.09 -2.95 0.14 0.00 -1.53 0.00 0.00 36.38 31.95 1frf s VAL 93 CO 0.48 0.59 0.40 -0.55 -3.33 0.00 0.00 175.10 172.69 1frf s SER 94 N -0.76 5.75 0.50 3.54 0.15 -1.26 -4.69 113.70 116.92 1frf s SER 94 Ca 0.12 -2.12 -0.22 0.00 0.70 0.00 0.00 55.95 54.43 1frf s SER 94 Cb -0.12 -2.01 -0.08 0.00 -1.71 0.00 0.00 66.02 62.10 1frf s SER 94 CO 0.02 -0.64 0.97 2.30 1.20 0.00 0.00 173.24 177.09 1frf n ILE 95 N 4.62 2.86 -1.07 6.45 -5.35 -1.26 -4.84 119.36 120.76 1frf n ILE 95 Ca -0.04 -0.50 -0.30 0.00 -0.27 0.00 0.00 62.75 61.64 1frf n ILE 95 Cb 0.41 -1.14 0.13 0.00 -1.74 0.00 0.00 39.64 37.30 1frf n ILE 95 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1frf s PRO 96 N -2.29 1.48 0.24 6.28 0.04 -1.26 -4.84 135.00 134.66 1frf s PRO 96 Ca 0.68 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.79 1frf s PRO 96 Cb -0.49 -1.81 0.44 0.00 0.04 0.00 0.00 34.50 32.68 1frf s PRO 96 CO 0.53 -2.17 1.67 0.00 0.04 0.00 0.00 177.00 177.07 1frf h ALA 97 N -1.51 0.88 0.00 8.56 0.00 -1.92 -1.59 119.26 123.68 1frf h ALA 97 Ca -0.46 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1frf h ALA 97 Cb 1.26 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1frf h ALA 97 CO 0.50 -0.37 -0.29 -0.91 0.00 0.00 0.00 179.25 178.18 1frf h ASN 98 N 0.21 0.00 -0.16 0.00 2.35 -1.93 -1.85 115.58 114.20 1frf h ASN 98 Ca 0.41 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.10 1frf h ASN 98 Cb 0.70 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 1frf h ASN 98 CO -0.55 0.29 -0.13 0.00 -1.65 0.00 0.00 177.43 175.39 1frf h ALA 99 N 1.71 0.23 -0.11 -0.83 0.00 -1.54 -0.73 119.26 117.99 1frf h ALA 99 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1frf h ALA 99 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1frf h ALA 99 CO 0.04 0.09 0.07 -0.09 0.00 0.00 0.00 179.25 179.36 1frf h ARG 100 N 0.02 0.14 -0.60 0.00 2.43 -1.21 0.13 114.38 115.29 1frf h ARG 100 Ca 0.03 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1frf h ARG 100 Cb 0.64 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 1frf h ARG 100 CO 0.03 0.09 0.37 0.52 -1.51 0.00 0.00 179.97 179.48 1frf h MET 101 N 0.14 0.71 -0.18 0.20 2.86 -1.31 0.18 114.93 117.53 1frf h MET 101 Ca 0.04 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1frf h MET 101 Cb -0.01 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 1frf h MET 101 CO -0.01 0.47 -0.59 1.98 1.06 0.00 0.00 176.91 179.81 1frf h MET 102 N 0.73 0.59 -0.33 1.72 1.85 -0.91 -0.69 114.93 117.90 1frf h MET 102 Ca 0.24 -0.40 -0.18 0.00 -0.61 0.00 0.00 59.70 58.76 1frf h MET 102 Cb 0.01 0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.10 1frf h MET 102 CO -0.10 1.01 -0.48 0.00 -0.40 0.00 0.00 176.91 176.94 1frf h ARG 103 N 0.44 0.90 -0.09 0.39 3.08 -0.53 -1.62 114.38 116.96 1frf h ARG 103 Ca -0.00 -0.53 -0.16 0.00 0.07 0.00 0.00 59.98 59.36 1frf h ARG 103 Cb 1.16 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1frf h ARG 103 CO 0.11 1.17 -0.64 -0.91 -1.07 0.00 0.00 179.97 178.64 1frf h ASN 104 N 0.71 0.37 -0.35 7.04 -0.26 -0.95 -2.82 115.58 119.32 1frf h ASN 104 Ca 0.03 -0.22 -0.13 0.00 -0.56 0.00 0.00 56.30 55.42 1frf h ASN 104 Cb 1.09 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.23 1frf h ASN 104 CO 0.11 0.91 -0.30 -0.07 -1.06 0.00 0.00 177.43 177.02 1frf h LEU 105 N 0.23 0.87 -0.84 1.61 3.38 -1.03 -2.27 115.31 117.26 1frf h LEU 105 Ca -0.01 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1frf h LEU 105 Cb 1.17 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 1frf h LEU 105 CO 0.10 1.14 0.42 0.58 0.09 0.00 0.00 178.44 180.78 1frf h VAL 106 N 0.61 1.25 -0.56 1.22 2.07 -1.26 -1.60 116.25 117.97 1frf h VAL 106 Ca 0.06 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1frf h VAL 106 Cb 0.88 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1frf h VAL 106 CO 0.08 0.30 0.28 -0.03 0.02 0.00 0.00 177.57 178.22 1frf h MET 107 N 1.18 0.78 -0.48 1.57 1.85 -1.33 -0.45 114.93 118.05 1frf h MET 107 Ca 0.29 -0.09 -0.08 0.00 -0.61 0.00 0.00 59.70 59.21 1frf h MET 107 Cb 0.09 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 31.95 1frf h MET 107 CO -0.04 0.60 -0.02 0.00 -0.40 0.00 0.00 176.91 177.05 1frf h ALA 108 N 1.53 0.65 -0.73 0.39 0.00 -0.87 0.38 119.26 120.61 1frf h ALA 108 Ca 0.20 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1frf h ALA 108 Cb 0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1frf h ALA 108 CO -0.03 0.48 0.48 0.77 0.00 0.00 0.00 179.25 180.95 1frf h SER 109 N 0.72 0.81 -0.31 0.00 0.02 -0.32 -1.07 113.55 113.41 1frf h SER 109 Ca 0.13 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1frf h SER 109 Cb 0.54 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1frf h SER 109 CO 0.03 0.58 -0.13 -0.61 -1.14 0.00 0.00 176.83 175.57 1frf h GLN 110 N 0.96 0.64 -0.30 3.45 5.75 -0.67 -1.82 115.11 123.11 1frf h GLN 110 Ca 0.27 -0.27 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1frf h GLN 110 Cb -0.07 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 1frf h GLN 110 CO -0.06 0.85 0.09 1.88 -2.65 0.00 0.00 178.83 178.93 1frf h TYR 111 N 0.40 0.16 0.30 3.99 -1.99 -0.16 0.34 116.97 120.01 1frf h TYR 111 Ca 0.07 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 1frf h TYR 111 Cb 0.64 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 39.32 1frf h TYR 111 CO 0.06 0.06 -0.46 -0.07 -0.00 0.00 0.00 178.16 177.74 1frf h LEU 112 N 0.21 -1.33 -0.46 3.88 4.07 -1.11 -1.67 115.31 118.91 1frf h LEU 112 Ca 0.14 0.12 0.01 0.00 0.08 0.00 0.00 57.88 58.23 1frf h LEU 112 Cb 0.12 0.46 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 1frf h LEU 112 CO -0.16 -0.56 0.29 -0.74 -1.08 0.00 0.00 178.44 176.20 1frf h HIS 113 N -0.81 0.55 0.02 1.13 2.76 -1.18 -2.98 115.15 114.64 1frf h HIS 113 Ca -0.03 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1frf h HIS 113 Cb 0.74 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.51 1frf h HIS 113 CO -0.32 0.34 -0.01 0.22 -1.30 0.00 0.00 177.93 176.86 1frf h ASP 114 N 0.60 -0.02 0.92 3.26 -0.00 -0.84 -2.74 116.42 117.60 1frf h ASP 114 Ca 0.17 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.03 57.13 1frf h ASP 114 Cb -0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.28 1frf h ASP 114 CO -0.05 -0.00 -0.29 0.45 -0.00 0.00 0.00 179.24 179.34 1frf h HIS 115 N -0.04 0.00 0.16 0.28 3.86 -1.32 -1.38 115.15 116.71 1frf h HIS 115 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1frf h HIS 115 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1frf h HIS 115 CO -0.07 0.29 -0.08 1.25 0.86 0.00 0.00 177.93 180.18 1frf h LEU 116 N 0.00 -0.19 -0.40 2.43 5.85 -1.48 -2.04 115.31 119.48 1frf h LEU 116 Ca -0.00 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.37 1frf h LEU 116 Cb 0.83 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1frf h LEU 116 CO 0.04 0.33 0.26 0.58 -0.34 0.00 0.00 178.44 179.31 1frf h VAL 117 N -0.79 1.10 -0.45 1.05 2.07 -1.51 -2.00 116.25 115.72 1frf h VAL 117 Ca -0.02 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1frf h VAL 117 Cb 0.53 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1frf h VAL 117 CO 0.04 0.10 0.28 -0.74 0.02 0.00 0.00 177.57 177.26 1frf h HIS 118 N 0.54 0.59 -0.04 1.57 -0.00 -1.30 0.23 115.15 116.74 1frf h HIS 118 Ca 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1frf h HIS 118 Cb -0.06 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 27.16 1frf h HIS 118 CO -0.05 0.40 0.01 0.35 -0.00 0.00 0.00 177.93 178.64 1frf h PHE 119 N 0.60 0.06 0.06 5.26 3.57 -1.21 0.31 116.94 125.58 1frf h PHE 119 Ca 0.16 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1frf h PHE 119 Cb -0.02 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1frf h PHE 119 CO -0.03 0.28 -0.03 1.88 -2.23 0.00 0.00 178.31 178.18 1frf h TYR 120 N -0.17 -0.07 0.00 0.41 -1.99 -1.24 0.32 116.97 114.23 1frf h TYR 120 Ca 0.01 -0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.65 1frf h TYR 120 Cb 0.25 0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 1frf h TYR 120 CO 0.01 0.41 -0.60 0.45 -0.00 0.00 0.00 178.16 178.43 1frf h HIS 121 N -0.96 0.00 0.00 4.88 3.86 -0.72 -3.33 115.15 118.88 1frf h HIS 121 Ca -0.01 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.88 1frf h HIS 121 Cb 0.51 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.93 1frf h HIS 121 CO 0.12 0.37 -2.13 1.28 0.86 0.00 0.00 177.93 178.43 1frf n LEU 122 N -3.09 2.30 -0.11 2.43 4.32 -1.06 -4.87 117.00 116.91 1frf n LEU 122 Ca 0.00 0.06 -0.25 0.00 -0.02 0.00 0.00 56.01 55.80 1frf n LEU 122 Cb 0.70 -0.65 -0.11 0.00 -1.62 0.00 0.00 43.42 41.73 1frf n LEU 122 CO 0.40 0.65 -1.16 1.57 -1.22 0.00 0.00 177.39 177.63 1frf n HIS 123 N -3.46 0.36 -0.27 -1.77 -0.00 0.11 -4.64 115.22 105.55 1frf n HIS 123 Ca -0.37 0.13 0.05 0.00 0.46 0.00 0.00 57.72 57.99 1frf n HIS 123 Cb 0.83 -1.04 0.12 0.00 -0.12 0.00 0.00 29.99 29.78 1frf n HIS 123 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1frf n ALA 124 N -3.74 0.20 0.00 1.57 0.00 0.11 -0.20 120.51 118.46 1frf n ALA 124 Ca -0.46 0.82 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1frf n ALA 124 Cb 0.88 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1frf n ALA 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1frf n LEU 125 N -5.20 0.00 0.12 0.00 4.32 -1.26 -0.51 117.00 114.47 1frf n LEU 125 Ca 0.13 0.34 0.08 0.00 -0.02 0.00 0.00 56.01 56.54 1frf n LEU 125 Cb 0.40 -0.34 0.02 0.00 -1.62 0.00 0.00 43.42 41.88 1frf n LEU 125 CO -0.09 -0.34 0.17 0.44 -1.22 0.00 0.00 177.39 176.35 1frf h ASP 126 N 0.00 0.00 0.00 -1.43 3.32 -0.90 -3.39 116.42 114.02 1frf h ASP 126 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1frf h ASP 126 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1frf h ASP 126 CO 0.00 0.16 -1.29 0.79 -1.72 0.00 0.00 179.24 177.18 1frf n TRP 127 N -2.86 0.00 -3.49 4.55 7.02 0.34 -4.93 117.44 118.07 1frf n TRP 127 Ca -0.01 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.09 1frf n TRP 127 Cb 0.62 -0.21 -0.06 0.00 -2.42 0.00 0.00 31.31 29.24 1frf n TRP 127 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1frf s VAL 128 N -2.10 5.08 -0.51 -0.99 1.01 -0.33 -4.54 120.40 118.02 1frf s VAL 128 Ca -0.03 0.82 -0.12 0.00 0.00 0.00 0.00 61.98 62.65 1frf s VAL 128 Cb 0.01 -3.71 0.13 0.00 0.00 0.00 0.00 36.38 32.81 1frf s VAL 128 CO 0.16 0.53 0.42 -0.62 0.00 0.00 0.00 175.10 175.60 1frf s ASP 129 N -0.75 5.91 0.41 3.32 3.68 -1.26 -4.63 116.67 123.34 1frf s ASP 129 Ca 0.23 -1.92 0.07 0.00 2.13 0.00 0.00 52.55 53.07 1frf s ASP 129 Cb -0.16 -2.09 0.85 0.00 -1.45 0.00 0.00 42.92 40.07 1frf s ASP 129 CO 0.12 -0.74 2.05 0.58 0.13 0.00 0.00 175.17 177.30 1frf h VAL 130 N 5.98 1.11 0.00 1.11 2.07 -1.93 -2.40 116.25 122.19 1frf h VAL 130 Ca -0.23 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 1frf h VAL 130 Cb 1.08 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1frf h VAL 130 CO 0.92 0.11 -0.34 0.71 0.02 0.00 0.00 177.57 178.99 1frf h THR 131 N 0.53 1.14 0.00 2.57 1.35 -1.93 -1.98 112.91 114.59 1frf h THR 131 Ca 0.14 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1frf h THR 131 Cb -0.03 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1frf h THR 131 CO -0.03 0.33 0.00 0.00 -0.25 0.00 0.00 175.52 175.58 1frf n ALA 132 N -2.43 2.16 0.29 6.62 0.00 -0.91 -2.00 120.51 124.26 1frf n ALA 132 Ca -0.02 -0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.52 1frf n ALA 132 Cb 0.40 -1.42 0.58 0.00 0.00 0.00 0.00 19.45 19.01 1frf n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1frf h ALA 133 N 2.78 1.00 0.00 0.00 0.00 -1.33 -2.35 119.26 119.36 1frf h ALA 133 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1frf h ALA 133 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1frf h ALA 133 CO 0.00 0.00 -0.30 -0.07 0.00 0.00 0.00 179.25 178.88 1frf h LEU 134 N 0.00 0.00 0.00 0.00 3.38 -1.51 -3.22 115.31 113.96 1frf h LEU 134 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1frf h LEU 134 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1frf h LEU 134 CO 0.00 0.30 -0.61 0.11 0.09 0.00 0.00 178.44 178.33 1frf h LYS 135 N 0.00 0.00 -6.93 1.13 1.57 -1.56 -3.47 116.57 107.30 1frf h LYS 135 Ca -0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1frf h LYS 135 Cb 0.89 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.21 1frf h LYS 135 CO 0.04 0.00 0.40 0.00 -0.57 0.00 0.00 179.45 179.32 1frf s ALA 136 N -3.23 3.14 -0.13 3.86 0.00 -1.22 -5.01 121.76 119.18 1frf s ALA 136 Ca 0.05 0.67 -0.21 0.00 0.00 0.00 0.00 51.96 52.47 1frf s ALA 136 Cb 0.11 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1frf s ALA 136 CO 0.73 -0.11 0.62 0.34 0.00 0.00 0.00 175.76 177.33 1frf s ASP 137 N -1.52 6.80 0.23 0.00 -1.08 -1.26 -4.98 116.67 114.86 1frf s ASP 137 Ca 0.55 0.96 -0.06 0.00 -0.52 0.00 0.00 52.55 53.49 1frf s ASP 137 Cb -0.22 -2.36 0.37 0.00 -1.46 0.00 0.00 42.92 39.26 1frf s ASP 137 CO 0.28 -0.14 1.78 -0.65 0.52 0.00 0.00 175.17 176.96 1frf h PRO 138 N 7.01 0.64 -0.64 4.34 0.11 -1.94 -0.16 132.00 141.35 1frf h PRO 138 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1frf h PRO 138 Cb 1.17 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1frf h PRO 138 CO 0.76 0.42 0.40 -0.91 -0.21 0.00 0.00 178.00 178.47 1frf h ASN 139 N 0.65 0.76 -0.13 -2.05 2.35 -1.94 0.15 115.58 115.38 1frf h ASN 139 Ca 0.38 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.95 1frf h ASN 139 Cb 0.40 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1frf h ASN 139 CO -0.27 0.57 -0.37 0.50 -1.65 0.00 0.00 177.43 176.21 1frf h LYS 140 N 0.87 0.64 -0.03 0.81 1.63 -1.89 -2.88 116.57 115.72 1frf h LYS 140 Ca 0.23 -0.31 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1frf h LYS 140 Cb -0.06 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1frf h LYS 140 CO -0.05 0.91 0.01 0.00 -3.45 0.00 0.00 179.45 176.87 1frf h ALA 141 N 1.06 0.04 -0.13 5.00 0.00 -0.49 -2.92 119.26 121.82 1frf h ALA 141 Ca 0.05 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1frf h ALA 141 Cb 0.88 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1frf h ALA 141 CO 0.08 -0.35 0.10 0.00 0.00 0.00 0.00 179.25 179.08 1frf h ALA 142 N 0.80 2.09 -0.14 0.00 0.00 -0.68 0.13 119.26 121.46 1frf h ALA 142 Ca 0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1frf h ALA 142 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1frf h ALA 142 CO -0.00 -0.17 -0.31 -0.22 0.00 0.00 0.00 179.25 178.56 1frf h LYS 143 N 0.00 0.45 -0.39 0.00 3.64 -1.42 -0.61 116.57 118.24 1frf h LYS 143 Ca 0.06 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 1frf h LYS 143 Cb 0.26 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1frf h LYS 143 CO -0.00 0.91 0.10 1.25 -2.27 0.00 0.00 179.45 179.44 1frf h LEU 144 N 0.06 0.59 -1.12 5.20 6.46 -1.07 -0.30 115.31 125.13 1frf h LEU 144 Ca 0.00 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1frf h LEU 144 Cb 0.91 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.64 1frf h LEU 144 CO 0.07 0.66 0.57 0.00 -0.62 0.00 0.00 178.44 179.11 1frf h ALA 145 N 0.95 1.35 0.00 1.25 0.00 -0.77 0.14 119.26 122.19 1frf h ALA 145 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1frf h ALA 145 Cb 0.29 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1frf h ALA 145 CO -0.00 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1frf h ALA 146 N 1.43 1.00 0.01 0.00 0.00 -0.45 0.81 119.26 122.06 1frf h ALA 146 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.89 1frf h ALA 146 Cb -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1frf h ALA 146 CO -0.07 0.00 -2.13 -1.13 0.00 0.00 0.00 179.25 175.92 1frf n SER 147 N -2.86 0.54 -0.04 0.00 3.41 -0.13 -4.63 113.62 109.91 1frf n SER 147 Ca 0.01 0.15 0.02 0.00 -0.26 0.00 0.00 58.87 58.79 1frf n SER 147 Cb 0.31 0.44 -0.15 0.00 -0.26 0.00 0.00 64.21 64.55 1frf n SER 147 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1frf n ILE 148 N -2.92 0.54 -4.32 -1.33 -5.35 0.31 -5.04 119.36 101.25 1frf n ILE 148 Ca -0.28 -0.58 -0.29 0.00 -0.27 0.00 0.00 62.75 61.33 1frf n ILE 148 Cb 1.11 -0.19 -0.05 0.00 -1.74 0.00 0.00 39.64 38.76 1frf n ILE 148 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1frf s ASP 149 N -4.66 4.35 0.55 7.28 1.11 0.27 -4.92 116.67 120.65 1frf s ASP 149 Ca -0.08 -1.37 -0.20 0.00 0.18 0.00 0.00 52.55 51.08 1frf s ASP 149 Cb 0.09 0.20 -0.05 0.00 1.07 0.00 0.00 42.92 44.24 1frf s ASP 149 CO 0.78 -0.84 1.22 -0.89 1.18 0.00 0.00 175.17 176.62 1frf s THR 150 N -2.77 2.65 -0.28 -1.27 2.01 -1.26 -4.72 115.64 110.01 1frf s THR 150 Ca 0.25 0.44 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 1frf s THR 150 Cb 0.01 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 1frf s THR 150 CO 0.14 -0.05 1.56 0.00 -0.69 0.00 0.00 174.62 175.58 1frf s ALA 151 N -1.53 3.19 0.02 7.40 0.00 -1.26 -4.90 121.76 124.67 1frf s ALA 151 Ca 0.73 0.28 0.03 0.00 0.00 0.00 0.00 51.96 53.00 1frf s ALA 151 Cb -0.32 -3.88 -0.02 0.00 0.00 0.00 0.00 23.12 18.91 1frf s ALA 151 CO 0.36 -2.10 -0.10 -0.98 0.00 0.00 0.00 175.76 172.94 1frf s ARG 152 N 4.79 0.70 0.52 0.00 1.70 -1.26 -5.00 118.95 120.40 1frf s ARG 152 Ca 0.69 -0.56 0.20 0.00 -0.47 0.00 0.00 55.73 55.58 1frf s ARG 152 Cb -0.21 -0.63 1.35 0.00 -0.57 0.00 0.00 34.95 34.88 1frf s ARG 152 CO 0.29 0.16 2.13 0.00 -1.08 0.00 0.00 175.30 176.80 1frf h THR 153 N 4.68 0.89 0.00 4.99 1.03 -2.01 -1.77 112.91 120.72 1frf h THR 153 Ca -0.34 -0.20 -0.01 0.00 -0.01 0.00 0.00 66.41 65.85 1frf h THR 153 Cb 1.19 1.11 -0.00 0.00 -1.07 0.00 0.00 68.15 69.38 1frf h THR 153 CO 0.45 0.05 -0.05 1.23 -0.01 0.00 0.00 175.52 177.20 1frf h GLY 154 N 0.20 0.00 -3.31 2.99 0.00 -1.98 -2.69 103.07 98.27 1frf h GLY 154 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1frf h GLY 154 CO 0.01 0.00 0.13 0.70 0.00 0.00 0.00 176.54 177.37 1frf n ASN 155 N -3.20 4.77 -4.78 0.19 5.03 -0.66 -4.47 115.26 112.14 1frf n ASN 155 Ca -0.00 -2.93 -0.29 0.00 0.87 0.00 0.00 54.58 52.22 1frf n ASN 155 Cb 0.27 -0.69 0.13 0.00 -1.02 0.00 0.00 39.78 38.47 1frf n ASN 155 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1frf s SER 156 N -0.73 3.68 0.15 6.41 1.04 -1.02 -4.55 113.70 118.69 1frf s SER 156 Ca 0.47 1.10 -0.15 0.00 0.48 0.00 0.00 55.95 57.86 1frf s SER 156 Cb 0.37 -1.73 0.03 0.00 0.10 0.00 0.00 66.02 64.79 1frf s SER 156 CO 0.13 -2.46 1.74 1.05 0.98 0.00 0.00 173.24 174.68 1frf h GLU 157 N -1.43 0.68 -0.00 4.02 4.11 -1.91 -0.66 114.58 119.38 1frf h GLU 157 Ca -0.50 -0.10 -0.16 0.00 0.07 0.00 0.00 59.36 58.68 1frf h GLU 157 Cb 1.31 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1frf h GLU 157 CO 0.60 0.56 -0.74 1.57 0.07 0.00 0.00 179.01 181.08 1frf h LYS 158 N 0.62 0.03 -0.09 1.06 2.10 -1.93 -0.12 116.57 118.24 1frf h LYS 158 Ca 0.16 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.73 1frf h LYS 158 Cb 0.11 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1frf h LYS 158 CO -0.02 0.76 -0.17 0.00 -2.00 0.00 0.00 179.45 178.02 1frf h ALA 159 N 1.24 0.13 -0.64 0.07 0.00 -1.82 -2.26 119.26 115.98 1frf h ALA 159 Ca -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1frf h ALA 159 Cb 1.31 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1frf h ALA 159 CO 0.10 0.05 0.30 -0.07 0.00 0.00 0.00 179.25 179.63 1frf h LEU 160 N -0.20 0.84 -0.34 0.00 3.38 -1.10 -2.35 115.31 115.55 1frf h LEU 160 Ca 0.00 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1frf h LEU 160 Cb 0.75 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1frf h LEU 160 CO 0.04 0.74 0.08 0.50 0.09 0.00 0.00 178.44 179.89 1frf h LYS 161 N 0.88 0.20 -0.61 1.13 3.11 -0.99 -0.08 116.57 120.23 1frf h LYS 161 Ca 0.22 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 58.02 1frf h LYS 161 Cb 0.13 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.28 1frf h LYS 161 CO -0.03 0.13 0.26 0.00 -2.81 0.00 0.00 179.45 177.01 1frf h ALA 162 N 1.24 1.32 0.00 5.00 0.00 -1.21 0.20 119.26 125.81 1frf h ALA 162 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1frf h ALA 162 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1frf h ALA 162 CO -0.19 0.51 -0.00 0.28 0.00 0.00 0.00 179.25 179.85 1frf h VAL 163 N 0.86 1.11 -0.45 0.00 2.07 -0.77 -0.88 116.25 118.19 1frf h VAL 163 Ca 0.21 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1frf h VAL 163 Cb 0.14 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1frf h VAL 163 CO -0.02 0.08 0.24 -0.61 0.02 0.00 0.00 177.57 177.28 1frf h GLN 164 N -0.14 0.62 0.00 1.57 4.15 -0.46 -1.59 115.11 119.26 1frf h GLN 164 Ca -0.00 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.24 1frf h GLN 164 Cb 0.14 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1frf h GLN 164 CO 0.00 0.46 -0.55 -0.44 -1.93 0.00 0.00 178.83 176.37 1frf h ASP 165 N 0.63 0.00 -0.01 -0.69 3.45 -0.29 -1.39 116.42 118.10 1frf h ASP 165 Ca 0.16 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.53 1frf h ASP 165 Cb 0.03 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.81 1frf h ASP 165 CO -0.03 0.55 -0.36 0.50 -1.57 0.00 0.00 179.24 178.33 1frf h LYS 166 N 0.00 0.27 -0.23 3.56 3.64 -0.59 -2.82 116.57 120.40 1frf h LYS 166 Ca -0.01 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.06 1frf h LYS 166 Cb 1.16 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1frf h LYS 166 CO 0.07 0.97 -0.02 1.25 -2.27 0.00 0.00 179.45 179.45 1frf h LEU 167 N -0.33 0.41 -0.21 5.20 7.12 -1.33 -2.16 115.31 124.01 1frf h LEU 167 Ca -0.04 -0.33 0.04 0.00 0.13 0.00 0.00 57.88 57.69 1frf h LEU 167 Cb 1.08 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 41.06 1frf h LEU 167 CO 0.07 0.64 -0.06 0.50 -0.13 0.00 0.00 178.44 179.46 1frf h LYS 168 N 0.17 -0.02 0.24 1.25 3.64 -1.34 0.22 116.57 120.73 1frf h LYS 168 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1frf h LYS 168 Cb 0.44 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1frf h LYS 168 CO 0.01 -0.01 -0.22 0.00 -2.27 0.00 0.00 179.45 176.97 1frf h ALA 169 N 1.19 -0.46 -0.23 5.00 0.00 -1.44 0.18 119.26 123.50 1frf h ALA 169 Ca 0.10 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1frf h ALA 169 Cb 0.18 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1frf h ALA 169 CO -0.23 -0.78 -0.30 0.35 0.00 0.00 0.00 179.25 178.29 1frf h PHE 170 N -0.48 -0.81 -0.18 0.00 3.57 -0.88 -0.91 116.94 117.26 1frf h PHE 170 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1frf h PHE 170 Cb 0.44 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1frf h PHE 170 CO -0.15 -0.37 0.12 0.28 -2.23 0.00 0.00 178.31 175.97 1frf h VAL 171 N -0.31 1.05 0.00 1.41 2.07 -0.39 -0.54 116.25 119.53 1frf h VAL 171 Ca 0.13 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1frf h VAL 171 Cb 0.52 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1frf h VAL 171 CO -0.41 0.05 0.00 -0.62 0.02 0.00 0.00 177.57 176.61 1frf n GLU 172 N -4.96 0.50 0.02 1.57 -0.58 0.61 -1.01 120.64 116.78 1frf n GLU 172 Ca -0.04 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.75 1frf n GLU 172 Cb 0.03 -1.02 -0.10 0.00 -0.57 0.00 0.00 31.44 29.78 1frf n GLU 172 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1frf n SER 173 N -0.52 0.48 0.00 1.62 3.41 -0.21 -4.96 113.62 113.44 1frf n SER 173 Ca 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1frf n SER 173 Cb 0.00 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1frf n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1frf n GLY 174 N 1.36 2.01 3.02 5.00 0.00 -0.18 -4.94 105.19 111.46 1frf n GLY 174 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1frf n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1frf n GLN 175 N -2.00 4.32 0.28 1.61 6.02 -1.26 -4.89 117.38 121.46 1frf n GLN 175 Ca 0.00 -4.55 0.18 0.00 -0.01 0.00 0.00 57.00 52.62 1frf n GLN 175 Cb 0.00 -2.51 0.95 0.00 1.02 0.00 0.00 30.24 29.71 1frf n GLN 175 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1frf h LEU 176 N 5.51 0.00 0.00 1.08 4.07 -1.87 -3.47 115.31 120.62 1frf h LEU 176 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1frf h LEU 176 Cb 0.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1frf h LEU 176 CO 1.28 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 179.25 1frf n GLY 177 N -1.28 4.11 0.14 0.83 0.00 -1.26 -1.57 105.19 106.15 1frf n GLY 177 Ca -0.01 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1frf n GLY 177 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1frf n ILE 178 N 0.00 0.93 1.41 -0.61 -5.35 -1.26 -0.79 119.36 113.69 1frf n ILE 178 Ca 0.00 0.42 0.14 0.00 -0.27 0.00 0.00 62.75 63.03 1frf n ILE 178 Cb 0.00 -1.37 0.47 0.00 -1.74 0.00 0.00 39.64 37.00 1frf n ILE 178 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1frf n PHE 179 N -2.22 0.00 -1.70 4.28 3.72 -0.61 -4.83 117.46 116.10 1frf n PHE 179 Ca 0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1frf n PHE 179 Cb 0.15 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 1frf n PHE 179 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1frf n THR 180 N -0.02 0.17 -0.98 4.37 -1.04 0.03 -1.64 114.28 115.16 1frf n THR 180 Ca 0.17 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1frf n THR 180 Cb 0.36 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 66.94 1frf n THR 180 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1frf n ASN 181 N 4.61 -4.21 -4.55 8.00 3.02 -1.26 -4.97 115.26 115.90 1frf n ASN 181 Ca 0.17 0.00 -0.48 0.00 -0.03 0.00 0.00 54.58 54.24 1frf n ASN 181 Cb 0.34 -2.03 -0.03 0.00 -0.61 0.00 0.00 39.78 37.45 1frf n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1frf n ALA 182 N 1.00 -1.10 0.29 5.41 0.00 -0.65 -4.80 120.51 120.66 1frf n ALA 182 Ca 0.00 0.45 0.18 0.00 0.00 0.00 0.00 53.44 54.07 1frf n ALA 182 Cb 0.24 -1.95 0.97 0.00 0.00 0.00 0.00 19.45 18.72 1frf n ALA 182 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1frf h TYR 183 N 2.58 0.00 -0.03 0.00 0.05 -1.93 -0.44 116.97 117.19 1frf h TYR 183 Ca -0.40 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.38 1frf h TYR 183 Cb 1.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.10 1frf h TYR 183 CO 0.50 0.00 0.00 1.97 -1.05 0.00 0.00 178.16 179.58 1frf n PHE 184 N -2.82 0.01 -2.30 4.88 1.16 -1.26 -4.62 117.46 112.51 1frf n PHE 184 Ca -0.02 -0.01 -0.43 0.00 -1.87 0.00 0.00 57.45 55.12 1frf n PHE 184 Cb 0.14 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.99 1frf n PHE 184 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1frf s LEU 185 N -1.98 4.25 0.00 5.98 1.43 -0.18 -2.57 118.68 125.61 1frf s LEU 185 Ca 0.33 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 1frf s LEU 185 Cb 0.21 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.88 1frf s LEU 185 CO 0.32 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.75 1frf n GLY 186 N 3.69 0.38 0.00 -3.19 0.00 -1.26 -4.87 105.19 99.95 1frf n GLY 186 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1frf n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frf n GLY 187 N -2.00 1.36 3.31 -0.02 0.00 -1.06 -5.08 105.19 101.70 1frf n GLY 187 Ca 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 1frf n GLY 187 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1frf s HIS 188 N -2.11 -0.77 0.65 1.61 5.04 -1.26 -4.86 115.29 113.60 1frf s HIS 188 Ca 0.00 1.52 0.30 0.00 -1.54 0.00 0.00 55.06 55.33 1frf s HIS 188 Cb 0.00 0.34 1.60 0.00 0.04 0.00 0.00 32.58 34.56 1frf s HIS 188 CO 0.00 -0.44 1.92 0.87 -2.34 0.00 0.00 174.74 174.74 1frf h LYS 189 N 7.68 0.00 0.00 2.88 1.57 -1.96 -0.53 116.57 126.22 1frf h LYS 189 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1frf h LYS 189 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1frf h LYS 189 CO 0.19 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 179.01 1frf h ALA 190 N 1.35 0.96 -2.05 3.86 0.00 -1.96 -3.44 119.26 117.99 1frf h ALA 190 Ca 0.03 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.26 1frf h ALA 190 Cb 0.74 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.35 1frf h ALA 190 CO -0.00 0.00 0.12 0.71 0.00 0.00 0.00 179.25 180.08 1frf s TYR 191 N -3.15 3.01 -0.15 0.00 1.51 -0.21 -4.93 117.35 113.44 1frf s TYR 191 Ca 0.09 -0.50 0.20 0.00 -1.01 0.00 0.00 57.07 55.85 1frf s TYR 191 Cb 0.10 -3.63 -0.15 0.00 -0.11 0.00 0.00 41.96 38.17 1frf s TYR 191 CO 0.63 -1.09 0.74 0.66 -1.11 0.00 0.00 175.55 175.39 1frf n TYR 192 N 6.34 0.65 -1.70 2.71 4.01 -1.26 -4.87 117.16 123.04 1frf n TYR 192 Ca -0.06 0.20 -0.42 0.00 -0.16 0.00 0.00 57.90 57.47 1frf n TYR 192 Cb 0.45 -0.89 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 1frf n TYR 192 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1frf n LEU 193 N -2.65 3.81 -4.76 7.72 4.77 -1.26 -4.98 117.00 119.65 1frf n LEU 193 Ca -0.07 1.16 -0.39 0.00 -0.03 0.00 0.00 56.01 56.68 1frf n LEU 193 Cb 0.71 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.24 1frf n LEU 193 CO 0.43 -0.53 0.67 -2.16 -1.33 0.00 0.00 177.39 174.47 1frf s PRO 194 N -2.03 4.76 0.37 3.23 0.04 -1.26 -4.84 135.00 135.26 1frf s PRO 194 Ca 0.58 1.51 0.29 0.00 0.04 0.00 0.00 61.00 63.42 1frf s PRO 194 Cb -0.54 -3.16 1.22 0.00 0.04 0.00 0.00 34.50 32.06 1frf s PRO 194 CO 0.60 0.41 1.22 -2.30 0.04 0.00 0.00 177.00 176.98 1frf n PRO 195 N 1.24 -0.02 -0.12 0.56 -0.02 -1.26 0.12 135.00 135.49 1frf n PRO 195 Ca -0.01 0.94 -0.10 0.00 -2.02 0.00 0.00 63.50 62.32 1frf n PRO 195 Cb 0.47 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 1frf n PRO 195 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1frf h GLU 196 N 0.00 0.55 0.00 -0.52 3.07 -1.91 -0.45 114.58 115.31 1frf h GLU 196 Ca 0.70 -0.11 -0.12 0.00 -0.50 0.00 0.00 59.36 59.33 1frf h GLU 196 Cb 2.41 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 30.22 1frf h GLU 196 CO -0.27 0.56 -0.56 0.28 -1.40 0.00 0.00 179.01 177.61 1frf h VAL 197 N 0.43 1.26 -0.51 3.13 2.07 0.51 -1.77 116.25 121.36 1frf h VAL 197 Ca 0.12 -2.02 -0.10 0.00 0.82 0.00 0.00 66.70 65.52 1frf h VAL 197 Cb 0.23 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1frf h VAL 197 CO -0.01 0.55 -0.08 0.78 0.02 0.00 0.00 177.57 178.84 1frf h ASN 198 N 0.00 0.91 -0.08 0.57 -0.26 -1.15 -1.03 115.58 114.54 1frf h ASN 198 Ca -0.01 -0.27 -0.02 0.00 -0.56 0.00 0.00 56.30 55.44 1frf h ASN 198 Cb 1.09 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 38.10 1frf h ASN 198 CO 0.07 1.01 -0.03 0.25 -1.06 0.00 0.00 177.43 177.67 1frf h LEU 199 N 0.83 0.16 -0.04 1.61 5.85 -0.91 -1.90 115.31 120.91 1frf h LEU 199 Ca 0.14 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1frf h LEU 199 Cb 0.60 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1frf h LEU 199 CO 0.04 0.52 -0.11 0.40 -0.34 0.00 0.00 178.44 178.94 1frf h ILE 200 N -0.20 0.70 -0.56 4.05 2.04 -1.24 -0.01 117.51 122.29 1frf h ILE 200 Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1frf h ILE 200 Cb 0.46 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1frf h ILE 200 CO 0.01 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.53 1frf h ALA 201 N 0.83 0.71 -0.09 1.87 0.00 -1.24 -1.74 119.26 119.60 1frf h ALA 201 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1frf h ALA 201 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1frf h ALA 201 CO -0.14 0.15 -0.19 1.15 0.00 0.00 0.00 179.25 180.22 1frf h THR 202 N 0.76 1.19 -0.29 0.00 2.02 -0.97 0.77 112.91 116.39 1frf h THR 202 Ca 0.21 -0.85 -0.07 0.00 0.77 0.00 0.00 66.41 66.47 1frf h THR 202 Cb -0.09 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1frf h THR 202 CO -0.04 0.26 -0.09 0.00 0.37 0.00 0.00 175.52 176.01 1frf h ALA 203 N 1.67 0.41 0.00 6.16 0.00 -0.43 -2.95 119.26 124.12 1frf h ALA 203 Ca 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1frf h ALA 203 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1frf h ALA 203 CO 0.03 0.24 -0.25 0.45 0.00 0.00 0.00 179.25 179.73 1frf h HIS 204 N 0.34 0.00 -0.03 0.00 3.86 -0.57 -2.29 115.15 116.47 1frf h HIS 204 Ca 0.07 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1frf h HIS 204 Cb 0.58 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 1frf h HIS 204 CO 0.05 0.25 0.00 -0.92 0.86 0.00 0.00 177.93 178.17 1frf h TYR 205 N 0.00 0.05 -0.30 2.45 5.03 -0.80 0.47 116.97 123.87 1frf h TYR 205 Ca -0.00 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.21 1frf h TYR 205 Cb 0.67 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.92 1frf h TYR 205 CO 0.00 0.32 -0.19 -0.07 -1.32 0.00 0.00 178.16 176.90 1frf h LEU 206 N -0.23 0.54 -0.45 2.82 3.38 -1.37 -2.87 115.31 117.14 1frf h LEU 206 Ca 0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1frf h LEU 206 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1frf h LEU 206 CO 0.00 0.74 0.16 -0.33 0.09 0.00 0.00 178.44 179.11 1frf h GLU 207 N 0.50 0.68 0.00 1.13 5.08 -1.28 -2.71 114.58 117.97 1frf h GLU 207 Ca 0.08 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1frf h GLU 207 Cb 0.60 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1frf h GLU 207 CO 0.04 0.64 -0.00 0.00 -1.00 0.00 0.00 179.01 178.69 1frf h ALA 208 N 1.01 1.01 0.00 3.43 0.00 -0.68 -0.18 119.26 123.85 1frf h ALA 208 Ca 0.15 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1frf h ALA 208 Cb 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1frf h ALA 208 CO -0.01 0.00 -0.39 -0.07 0.00 0.00 0.00 179.25 178.78 1frf h LEU 209 N 0.00 0.00 0.08 0.00 3.38 -1.32 -1.23 115.31 116.22 1frf h LEU 209 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1frf h LEU 209 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1frf h LEU 209 CO 0.00 0.39 -2.06 1.41 0.09 0.00 0.00 178.44 178.27 1frf n HIS 210 N -3.80 0.93 -0.12 1.13 8.25 -0.50 -3.98 115.22 117.14 1frf n HIS 210 Ca -0.01 0.22 -0.04 0.00 -0.26 0.00 0.00 57.72 57.63 1frf n HIS 210 Cb 0.46 -1.13 0.17 0.00 1.12 0.00 0.00 29.99 30.61 1frf n HIS 210 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1frf h MET 211 N 0.04 0.81 -0.00 -0.41 1.85 -1.02 -2.44 114.93 113.76 1frf h MET 211 Ca -0.44 -0.20 -0.04 0.00 -0.61 0.00 0.00 59.70 58.41 1frf h MET 211 Cb 2.02 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 33.94 1frf h MET 211 CO 0.05 0.78 -0.20 -0.56 -0.40 0.00 0.00 176.91 176.59 1frf h GLN 212 N 0.76 0.00 0.34 0.39 -0.00 -1.39 -0.82 115.11 114.40 1frf h GLN 212 Ca 0.16 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.79 1frf h GLN 212 Cb 0.39 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.88 1frf h GLN 212 CO 0.01 0.20 -0.16 0.28 -0.00 0.00 0.00 178.83 179.16 1frf h VAL 213 N 0.00 0.67 -0.87 1.86 2.07 -1.57 -1.33 116.25 117.08 1frf h VAL 213 Ca -0.00 -0.42 0.13 0.00 0.82 0.00 0.00 66.70 67.23 1frf h VAL 213 Cb 0.35 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 1frf h VAL 213 CO 0.03 0.08 0.56 0.50 0.02 0.00 0.00 177.57 178.76 1frf h LYS 214 N -0.70 0.68 -0.08 1.57 3.64 -1.30 -1.40 116.57 118.98 1frf h LYS 214 Ca -0.05 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 1frf h LYS 214 Cb 0.49 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1frf h LYS 214 CO 0.08 0.45 -0.62 0.00 -2.27 0.00 0.00 179.45 177.08 1frf h ALA 215 N 1.60 0.78 0.00 5.00 0.00 -0.85 -2.58 119.26 123.21 1frf h ALA 215 Ca 0.43 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1frf h ALA 215 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1frf h ALA 215 CO -0.19 0.73 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1frf n ALA 216 N -2.48 2.25 0.07 0.00 0.00 -0.53 -2.90 120.51 116.92 1frf n ALA 216 Ca -0.03 -0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 1frf n ALA 216 Cb 0.63 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 1frf n ALA 216 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1frf h SER 217 N 0.00 0.34 -0.15 0.00 0.87 -0.93 -2.67 113.55 111.01 1frf h SER 217 Ca 0.00 -0.44 -0.04 0.00 -1.23 0.00 0.00 61.79 60.08 1frf h SER 217 Cb 0.69 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1frf h SER 217 CO 0.00 1.36 -0.06 0.00 -0.53 0.00 0.00 176.83 177.60 1frf h ALA 218 N 0.58 0.21 -0.76 6.23 0.00 -1.46 -3.05 119.26 121.03 1frf h ALA 218 Ca -0.20 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.50 1frf h ALA 218 Cb 1.98 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.67 1frf h ALA 218 CO 0.16 0.00 0.45 1.98 0.00 0.00 0.00 179.25 181.85 1frf h MET 219 N -0.02 0.81 0.00 0.00 -1.53 -1.60 -1.95 114.93 110.64 1frf h MET 219 Ca 0.03 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1frf h MET 219 Cb 0.53 -0.18 -0.00 0.00 -0.55 0.00 0.00 31.60 31.39 1frf h MET 219 CO 0.02 0.53 -0.00 0.00 0.14 0.00 0.00 176.91 177.60 1frf h ALA 220 N 1.37 1.00 0.05 0.39 0.00 -1.37 0.36 119.26 121.06 1frf h ALA 220 Ca 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1frf h ALA 220 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1frf h ALA 220 CO -0.17 0.00 -0.02 0.82 0.00 0.00 0.00 179.25 179.88 1frf h ILE 221 N 0.00 1.10 0.21 0.00 2.04 -1.25 -0.97 117.51 118.64 1frf h ILE 221 Ca -0.00 -0.48 -0.33 0.00 1.00 0.00 0.00 64.86 65.04 1frf h ILE 221 Cb 0.15 1.42 0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1frf h ILE 221 CO 0.00 0.12 -1.52 -0.07 0.00 0.00 0.00 178.15 176.68 1frf h LEU 222 N -0.28 0.70 -1.26 1.44 4.07 -1.59 -3.37 115.31 115.03 1frf h LEU 222 Ca -0.01 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.12 1frf h LEU 222 Cb 0.25 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1frf h LEU 222 CO 0.01 1.66 0.00 0.61 -1.08 0.00 0.00 178.44 179.65 1frf n GLY 223 N 1.72 0.51 3.21 0.83 0.00 0.12 -4.83 105.19 106.75 1frf n GLY 223 Ca -0.18 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1frf n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frf n GLY 224 N 1.14 1.83 0.00 -0.02 0.00 -0.37 -0.52 105.19 107.25 1frf n GLY 224 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1frf n GLY 224 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1frf n LYS 225 N 0.00 0.00 -3.80 1.61 0.00 -1.22 -4.87 118.16 109.88 1frf n LYS 225 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1frf n LYS 225 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 34.88 1frf n LYS 225 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1frf s ASN 226 N 0.00 0.02 0.54 -5.58 3.84 -1.26 -3.01 114.94 109.48 1frf s ASN 226 Ca 0.00 0.07 -0.18 0.00 0.21 0.00 0.00 52.86 52.96 1frf s ASN 226 Cb 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 41.25 40.64 1frf s ASN 226 CO 0.00 -0.09 1.05 -2.84 -2.79 0.00 0.00 177.10 172.44 1frf s PRO 227 N 0.69 3.55 -0.09 0.43 0.02 -1.26 -5.03 135.00 133.32 1frf s PRO 227 Ca -0.06 1.30 -0.03 0.00 0.02 0.00 0.00 61.00 62.24 1frf s PRO 227 Cb -0.08 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1frf s PRO 227 CO -0.02 -0.63 0.10 0.72 -0.33 0.00 0.00 177.00 176.84 1frf n HIS 228 N -1.47 -0.78 -1.70 6.54 8.25 -1.26 -5.02 115.22 119.77 1frf n HIS 228 Ca 0.09 0.32 -0.38 0.00 -0.26 0.00 0.00 57.72 57.50 1frf n HIS 228 Cb 0.53 -2.06 0.06 0.00 1.12 0.00 0.00 29.99 29.63 1frf n HIS 228 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1frf n THR 229 N -0.32 4.22 -3.17 1.59 -2.24 -1.16 -4.68 114.28 108.51 1frf n THR 229 Ca 0.02 -0.50 -0.22 0.00 -2.27 0.00 0.00 64.05 61.08 1frf n THR 229 Cb 0.08 -1.45 -0.05 0.00 -2.10 0.00 0.00 70.33 66.81 1frf n THR 229 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1frf n GLN 230 N -1.34 1.38 0.00 -0.78 7.27 0.32 -4.86 117.38 119.36 1frf n GLN 230 Ca 0.13 -3.67 0.00 0.00 0.07 0.00 0.00 57.00 53.53 1frf n GLN 230 Cb 0.46 -1.70 0.00 0.00 2.41 0.00 0.00 30.24 31.41 1frf n GLN 230 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1frf n PHE 231 N 0.56 0.00 -3.18 3.69 1.16 -1.25 -4.72 117.46 113.72 1frf n PHE 231 Ca 0.25 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.49 1frf n PHE 231 Cb 0.56 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.37 1frf n PHE 231 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1frf s THR 232 N -0.32 4.68 0.04 1.97 -4.23 -1.26 -0.23 115.64 116.29 1frf s THR 232 Ca 0.00 1.05 -0.07 0.00 -1.18 0.00 0.00 61.69 61.49 1frf s THR 232 Cb 0.00 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.08 1frf s THR 232 CO 0.00 0.09 0.13 0.68 -0.54 0.00 0.00 174.62 174.98 1frf s VAL 233 N -1.65 0.13 0.07 2.29 -7.23 -0.67 -4.84 120.40 108.50 1frf s VAL 233 Ca 0.45 -1.08 -0.30 0.00 -1.81 0.00 0.00 61.98 59.24 1frf s VAL 233 Cb -0.14 -0.97 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 1frf s VAL 233 CO 0.20 -0.60 1.90 -0.69 -0.31 0.00 0.00 175.10 175.60 1frf s VAL 234 N -2.79 2.84 0.00 1.32 1.01 -1.26 -1.35 120.40 120.17 1frf s VAL 234 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1frf s VAL 234 Cb -0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1frf s VAL 234 CO -0.05 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1frf n GLY 235 N 4.40 1.78 0.00 4.51 0.00 -1.26 -4.83 105.19 109.79 1frf n GLY 235 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1frf n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frf n GLY 236 N -0.83 -0.37 3.52 -0.02 0.00 -0.46 -2.16 105.19 104.87 1frf n GLY 236 Ca 0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1frf n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1frf n SER 238 N -1.19 0.23 -3.91 0.00 3.41 0.68 -4.04 113.62 108.81 1frf n SER 238 Ca -0.06 -0.44 -0.42 0.00 -0.26 0.00 0.00 58.87 57.69 1frf n SER 238 Cb 0.65 0.93 -0.01 0.00 -0.26 0.00 0.00 64.21 65.52 1frf n SER 238 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1frf n ASN 239 N -0.95 3.82 0.19 4.04 5.15 -1.26 -4.77 115.26 121.48 1frf n ASN 239 Ca 0.00 -2.82 0.08 0.00 -0.60 0.00 0.00 54.58 51.24 1frf n ASN 239 Cb 0.00 -1.59 0.60 0.00 -0.53 0.00 0.00 39.78 38.26 1frf n ASN 239 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1frf h TYR 240 N 6.75 0.10 0.00 1.20 0.05 -1.93 -1.15 116.97 122.00 1frf h TYR 240 Ca 0.51 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.25 1frf h TYR 240 Cb 0.70 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.40 1frf h TYR 240 CO 1.41 0.06 -0.20 0.37 -1.05 0.00 0.00 178.16 178.75 1frf h GLN 241 N 0.11 0.00 0.00 4.88 4.15 -1.97 -2.74 115.11 119.54 1frf h GLN 241 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1frf h GLN 241 Cb 0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1frf h GLN 241 CO -0.01 0.20 0.00 0.41 -1.93 0.00 0.00 178.83 177.50 1frf n GLY 242 N 0.24 -1.07 0.01 2.39 0.00 -0.43 -1.59 105.19 104.74 1frf n GLY 242 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1frf n GLY 242 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1frf n LEU 243 N -1.86 0.39 -4.94 0.99 4.32 -1.03 -4.61 117.00 110.26 1frf n LEU 243 Ca 0.02 0.17 -0.25 0.00 -0.02 0.00 0.00 56.01 55.94 1frf n LEU 243 Cb 0.17 -0.31 0.04 0.00 -1.62 0.00 0.00 43.42 41.70 1frf n LEU 243 CO 0.15 0.07 0.49 0.42 -1.22 0.00 0.00 177.39 177.30 1frf s THR 244 N -3.02 3.02 0.09 -5.08 -4.23 -0.62 -4.26 115.64 101.56 1frf s THR 244 Ca 0.11 -0.29 -0.31 0.00 -1.18 0.00 0.00 61.69 60.02 1frf s THR 244 Cb 0.17 -3.21 -0.14 0.00 1.34 0.00 0.00 72.50 70.67 1frf s THR 244 CO 0.65 -0.19 1.61 0.50 -0.54 0.00 0.00 174.62 176.65 1frf h LYS 245 N -0.19 -0.72 -0.01 3.99 3.64 -1.93 -2.01 116.57 119.34 1frf h LYS 245 Ca -0.44 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1frf h LYS 245 Cb 1.28 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1frf h LYS 245 CO 0.58 -0.48 0.00 -0.44 -2.27 0.00 0.00 179.45 176.84 1frf h ASP 246 N -0.75 0.01 -0.36 4.20 5.19 -1.96 -0.95 116.42 121.81 1frf h ASP 246 Ca -0.03 -0.30 0.02 0.00 -0.62 0.00 0.00 57.03 56.10 1frf h ASP 246 Cb 0.67 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 1frf h ASP 246 CO -0.05 0.31 0.21 -0.65 -3.12 0.00 0.00 179.24 175.94 1frf h PRO 247 N -0.29 0.41 -0.61 3.56 0.11 -1.85 -0.20 132.00 133.13 1frf h PRO 247 Ca 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1frf h PRO 247 Cb 0.31 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 1frf h PRO 247 CO 0.00 0.27 0.28 -0.07 -0.21 0.00 0.00 178.00 178.27 1frf h LEU 248 N 0.42 0.79 -0.34 2.35 3.38 -1.39 0.24 115.31 120.77 1frf h LEU 248 Ca 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1frf h LEU 248 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1frf h LEU 248 CO -0.07 0.68 0.15 0.00 0.09 0.00 0.00 178.44 179.29 1frf h ALA 249 N 1.44 0.44 -0.49 1.53 0.00 -0.22 -0.90 119.26 121.05 1frf h ALA 249 Ca 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1frf h ALA 249 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1frf h ALA 249 CO -0.03 0.01 0.13 -0.97 0.00 0.00 0.00 179.25 178.39 1frf h ASN 250 N 0.41 0.74 0.02 0.00 -1.24 -0.50 -1.46 115.58 113.54 1frf h ASN 250 Ca 0.11 -0.23 0.02 0.00 0.71 0.00 0.00 56.30 56.92 1frf h ASN 250 Cb 0.14 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 38.97 1frf h ASN 250 CO -0.01 0.77 -0.14 0.22 -1.29 0.00 0.00 177.43 176.98 1frf h TYR 251 N 0.67 -0.35 -0.72 0.67 3.20 -0.38 -0.44 116.97 119.62 1frf h TYR 251 Ca 0.16 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.11 1frf h TYR 251 Cb 0.32 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1frf h TYR 251 CO 0.02 -0.20 0.48 1.25 -1.64 0.00 0.00 178.16 178.06 1frf h LEU 252 N -0.24 0.64 0.51 2.82 7.12 -0.92 0.29 115.31 125.54 1frf h LEU 252 Ca 0.04 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 1frf h LEU 252 Cb 0.29 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.29 1frf h LEU 252 CO -0.12 0.41 -0.24 0.00 -0.13 0.00 0.00 178.44 178.35 1frf h ALA 253 N 1.61 -0.68 -0.57 1.25 0.00 -0.59 -2.16 119.26 118.12 1frf h ALA 253 Ca 0.32 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1frf h ALA 253 Cb 0.30 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1frf h ALA 253 CO -0.11 -0.69 0.25 -0.07 0.00 0.00 0.00 179.25 178.64 1frf h LEU 254 N -1.07 0.32 -0.72 0.00 4.07 -0.85 -1.59 115.31 115.47 1frf h LEU 254 Ca -0.07 0.05 0.08 0.00 0.08 0.00 0.00 57.88 58.02 1frf h LEU 254 Cb 0.60 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.27 1frf h LEU 254 CO 0.11 0.21 0.39 0.28 -1.08 0.00 0.00 178.44 178.35 1frf h SER 255 N 0.48 0.54 -0.80 -0.43 0.02 -0.98 -1.03 113.55 111.34 1frf h SER 255 Ca 0.27 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1frf h SER 255 Cb 0.25 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1frf h SER 255 CO -0.23 0.32 0.51 0.11 -1.14 0.00 0.00 176.83 176.41 1frf h LYS 256 N 0.68 1.07 0.00 3.45 1.57 -0.62 -1.09 116.57 121.62 1frf h LYS 256 Ca 0.34 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 1frf h LYS 256 Cb 0.30 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1frf h LYS 256 CO -0.23 0.72 -0.44 1.49 -0.57 0.00 0.00 179.45 180.42 1frf h GLU 257 N 1.09 0.00 -0.00 3.15 4.81 -0.63 -2.11 114.58 120.89 1frf h GLU 257 Ca 0.29 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.33 1frf h GLU 257 Cb -0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1frf h GLU 257 CO -0.06 0.44 -0.86 0.28 -0.73 0.00 0.00 179.01 178.08 1frf h VAL 258 N 0.00 1.47 0.00 0.32 2.07 -0.44 -3.27 116.25 116.40 1frf h VAL 258 Ca -0.00 -2.54 -0.09 0.00 0.82 0.00 0.00 66.70 64.88 1frf h VAL 258 Cb 0.81 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1frf h VAL 258 CO 0.06 0.74 -0.44 0.00 0.02 0.00 0.00 177.57 177.95 1frf h GLN 260 N 0.00 0.50 -0.11 0.00 4.15 -1.44 -2.48 115.11 115.73 1frf h GLN 260 Ca -0.00 -0.19 -0.14 0.00 0.77 0.00 0.00 58.65 59.08 1frf h GLN 260 Cb 1.05 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.72 1frf h GLN 260 CO 0.06 0.72 -0.48 0.35 -1.93 0.00 0.00 178.83 177.55 1frf h PHE 261 N 0.44 0.70 -0.65 3.99 3.57 -1.60 0.10 116.94 123.49 1frf h PHE 261 Ca 0.06 -0.30 0.12 0.00 3.53 0.00 0.00 57.97 61.38 1frf h PHE 261 Cb 0.69 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.23 1frf h PHE 261 CO 0.02 1.07 0.17 0.28 -2.23 0.00 0.00 178.31 177.63 1frf h VAL 262 N 0.13 0.64 0.23 1.41 2.07 -1.35 0.15 116.25 119.52 1frf h VAL 262 Ca -0.03 -0.11 -0.34 0.00 0.82 0.00 0.00 66.70 67.05 1frf h VAL 262 Cb 1.12 0.30 0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1frf h VAL 262 CO 0.10 0.06 -1.54 0.78 0.02 0.00 0.00 177.57 176.99 1frf h ASN 263 N 0.31 0.76 0.91 0.57 2.35 -1.38 0.57 115.58 119.67 1frf h ASN 263 Ca 0.34 -0.93 -0.21 0.00 -0.55 0.00 0.00 56.30 54.95 1frf h ASN 263 Cb 0.52 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1frf h ASN 263 CO -0.41 1.73 -1.01 -0.33 -1.65 0.00 0.00 177.43 175.76 1frf h GLU 264 N 0.10 0.05 0.00 0.81 5.08 -0.63 -3.39 114.58 116.60 1frf h GLU 264 Ca -0.28 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1frf h GLU 264 Cb 2.12 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.40 1frf h GLU 264 CO 0.24 1.01 -0.13 0.00 -1.00 0.00 0.00 179.01 179.13 1frf h TYR 266 N -0.13 -1.05 -0.24 0.00 3.20 -0.90 0.56 116.97 118.42 1frf h TYR 266 Ca 0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1frf h TYR 266 Cb 0.13 0.49 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1frf h TYR 266 CO -0.06 -0.29 0.12 0.82 -1.64 0.00 0.00 178.16 177.11 1frf h ILE 267 N -0.22 1.14 -0.32 1.81 1.08 -1.13 -0.91 117.51 118.96 1frf h ILE 267 Ca 0.05 -0.40 0.04 0.00 -0.39 0.00 0.00 64.86 64.16 1frf h ILE 267 Cb 0.35 0.97 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 1frf h ILE 267 CO -0.38 0.14 0.08 -0.65 -0.69 0.00 0.00 178.15 176.65 1frf h PRO 268 N 0.26 0.20 -0.23 2.37 0.11 -1.71 0.12 132.00 133.12 1frf h PRO 268 Ca 0.08 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.22 1frf h PRO 268 Cb 0.11 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.14 1frf h PRO 268 CO -0.01 0.13 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.47 1frf h ASP 269 N 0.21 -0.10 -0.41 -2.05 3.32 -0.76 0.43 116.42 117.05 1frf h ASP 269 Ca 0.15 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.31 1frf h ASP 269 Cb 0.15 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 1frf h ASP 269 CO -0.18 -0.02 0.13 0.25 -1.72 0.00 0.00 179.24 177.70 1frf h LEU 270 N 0.06 0.12 -0.95 1.55 5.85 -0.71 0.16 115.31 121.38 1frf h LEU 270 Ca 0.11 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1frf h LEU 270 Cb 0.14 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1frf h LEU 270 CO -0.19 0.10 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.70 1frf h LEU 271 N 0.28 0.48 0.69 2.25 3.38 -0.09 -1.48 115.31 120.83 1frf h LEU 271 Ca 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1frf h LEU 271 Cb 0.19 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1frf h LEU 271 CO -0.21 0.72 -0.33 0.00 0.09 0.00 0.00 178.44 178.71 1frf h ALA 272 N 1.32 -0.92 -0.87 1.53 0.00 0.85 -1.48 119.26 119.69 1frf h ALA 272 Ca 0.06 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.88 1frf h ALA 272 Cb 0.65 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1frf h ALA 272 CO 0.05 -0.94 0.56 0.28 0.00 0.00 0.00 179.25 179.20 1frf h VAL 273 N -1.08 0.90 -0.37 0.00 2.07 -0.72 -1.29 116.25 115.75 1frf h VAL 273 Ca -0.09 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 1frf h VAL 273 Cb 0.74 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1frf h VAL 273 CO 0.16 0.14 -0.22 0.00 0.02 0.00 0.00 177.57 177.66 1frf h ALA 274 N 1.59 0.93 -0.06 1.67 0.00 -1.12 -2.45 119.26 119.81 1frf h ALA 274 Ca 0.42 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1frf h ALA 274 Cb 0.57 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1frf h ALA 274 CO -0.18 0.62 0.03 0.78 0.00 0.00 0.00 179.25 180.49 1frf h GLY 275 N 0.98 0.09 1.77 0.00 0.00 -0.13 -2.34 103.07 103.43 1frf h GLY 275 Ca 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1frf h GLY 275 CO 0.05 0.04 -0.17 0.74 0.00 0.00 0.00 176.54 177.21 1frf h PHE 276 N -0.05 0.30 -0.80 5.60 0.04 -1.50 -3.21 116.94 117.33 1frf h PHE 276 Ca 0.02 -0.04 -0.51 0.00 2.80 0.00 0.00 57.97 60.24 1frf h PHE 276 Cb 0.14 -0.08 -0.28 0.00 2.20 0.00 0.00 35.95 37.93 1frf h PHE 276 CO -0.03 0.45 0.29 0.66 -0.60 0.00 0.00 178.31 179.08 1frf n TYR 277 N -4.23 2.62 0.25 -0.55 4.02 -0.93 -4.73 117.16 113.61 1frf n TYR 277 Ca -0.01 -2.30 0.12 0.00 -0.01 0.00 0.00 57.90 55.70 1frf n TYR 277 Cb 0.31 -0.92 0.63 0.00 -0.02 0.00 0.00 39.34 39.34 1frf n TYR 277 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1frf h LYS 278 N 1.59 0.00 0.00 -0.72 1.57 -1.43 0.19 116.57 117.77 1frf h LYS 278 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1frf h LYS 278 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.90 1frf h LYS 278 CO 1.06 0.00 0.00 0.38 -0.57 0.00 0.00 179.45 180.32 1frf h ASP 279 N 0.00 0.00 0.73 0.86 -0.00 -1.88 -0.96 116.42 115.17 1frf h ASP 279 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1frf h ASP 279 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.88 1frf h ASP 279 CO 0.00 0.00 -0.16 0.79 -0.00 0.00 0.00 179.24 179.87 1frf n TRP 280 N -2.53 0.00 0.80 4.15 7.02 0.68 -2.79 117.44 124.77 1frf n TRP 280 Ca 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.59 1frf n TRP 280 Cb 0.19 -0.37 0.47 0.00 -2.42 0.00 0.00 31.31 29.18 1frf n TRP 280 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1frf n GLY 281 N 1.45 -1.14 0.13 6.99 0.00 -0.37 -2.25 105.19 110.00 1frf n GLY 281 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1frf n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frf n GLY 282 N 0.60 3.02 3.35 -0.02 0.00 -1.12 -4.62 105.19 106.40 1frf n GLY 282 Ca 0.07 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1frf n GLY 282 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1frf s ILE 283 N -1.08 2.38 -0.78 -0.61 1.01 -1.11 -4.85 121.20 116.16 1frf s ILE 283 Ca 0.06 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 1frf s ILE 283 Cb 0.04 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1frf s ILE 283 CO 0.03 0.58 0.66 0.61 0.00 0.00 0.00 174.94 176.82 1frf n GLY 284 N 2.61 -0.05 3.96 6.18 0.00 -1.25 -0.87 105.19 115.77 1frf n GLY 284 Ca -0.17 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1frf n GLY 284 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1frf s GLY 285 N -3.69 1.47 0.33 -0.02 0.00 -1.25 -3.67 107.32 100.49 1frf s GLY 285 Ca 0.09 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1frf s GLY 285 CO 0.46 -1.04 0.13 -1.59 0.00 0.00 0.00 173.10 171.06 1frf s THR 286 N -2.33 0.56 -0.14 0.90 2.01 -1.26 -4.41 115.64 110.97 1frf s THR 286 Ca 0.43 -2.00 -0.11 0.00 0.31 0.00 0.00 61.69 60.32 1frf s THR 286 Cb -0.10 -2.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.82 1frf s THR 286 CO 0.35 0.00 -0.25 -1.20 -0.69 0.00 0.00 174.62 172.83 1frf n SER 287 N -0.94 1.55 -4.76 3.53 7.64 -1.26 -4.94 113.62 114.44 1frf n SER 287 Ca -0.01 0.26 -0.40 0.00 1.01 0.00 0.00 58.87 59.73 1frf n SER 287 Cb 0.65 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 63.19 1frf n SER 287 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1frf s ASN 288 N -6.32 7.34 -0.02 6.43 0.01 -1.23 -4.25 114.94 116.90 1frf s ASN 288 Ca -0.24 1.59 0.03 0.00 -0.71 0.00 0.00 52.86 53.53 1frf s ASN 288 Cb 0.06 -2.49 -0.00 0.00 0.41 0.00 0.00 41.25 39.23 1frf s ASN 288 CO 0.32 0.13 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.64 1frf s TYR 289 N -0.71 0.92 -0.01 2.20 1.51 0.25 0.82 117.35 122.34 1frf s TYR 289 Ca 0.37 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1frf s TYR 289 Cb -0.22 -0.63 -0.00 0.00 -0.11 0.00 0.00 41.96 40.99 1frf s TYR 289 CO 0.25 -0.06 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.40 1frf s LEU 290 N 0.01 1.97 -0.11 -1.29 2.96 -0.67 -0.71 118.68 120.84 1frf s LEU 290 Ca -0.00 -0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.74 1frf s LEU 290 Cb -0.07 -0.31 0.05 0.00 0.50 0.00 0.00 46.19 46.36 1frf s LEU 290 CO 0.00 0.07 0.26 0.00 -1.32 0.00 0.00 176.35 175.36 1frf s ALA 291 N -0.08 -0.61 -1.06 5.97 0.00 -0.36 -4.38 121.76 121.25 1frf s ALA 291 Ca 0.02 1.03 0.25 0.00 0.00 0.00 0.00 51.96 53.25 1frf s ALA 291 Cb -0.03 -0.65 0.47 0.00 0.00 0.00 0.00 23.12 22.91 1frf s ALA 291 CO -0.00 -0.20 1.39 1.19 0.00 0.00 0.00 175.76 178.14 1frf n PHE 292 N 4.16 0.00 -0.16 0.00 0.99 -1.26 -2.09 117.46 119.10 1frf n PHE 292 Ca -0.24 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.22 1frf n PHE 292 Cb 0.53 -0.22 -0.01 0.00 -1.00 0.00 0.00 39.48 38.78 1frf n PHE 292 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1frf n GLY 293 N 1.49 -2.71 3.30 1.37 0.00 -1.26 -4.29 105.19 103.09 1frf n GLY 293 Ca 0.06 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 1frf n GLY 293 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1frf s GLU 294 N -3.15 1.04 -0.65 1.61 2.56 0.80 -3.21 118.70 117.70 1frf s GLU 294 Ca 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 54.97 53.94 1frf s GLU 294 Cb 0.00 0.39 -0.02 0.00 2.00 0.00 0.00 34.13 36.49 1frf s GLU 294 CO 0.00 -0.37 0.55 1.19 -0.56 0.00 0.00 175.26 176.07 1frf n PHE 295 N -0.16 -1.36 -2.47 5.30 0.99 -1.26 -0.80 117.46 117.68 1frf n PHE 295 Ca -0.12 0.52 -0.32 0.00 -0.00 0.00 0.00 57.45 57.54 1frf n PHE 295 Cb 0.63 -3.60 -0.03 0.00 -1.00 0.00 0.00 39.48 35.48 1frf n PHE 295 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1frf s ALA 296 N -3.22 3.13 -0.93 4.37 0.00 -1.26 0.01 121.76 123.87 1frf s ALA 296 Ca 0.15 0.07 0.22 0.00 0.00 0.00 0.00 51.96 52.40 1frf s ALA 296 Cb -0.02 -3.02 -0.07 0.00 0.00 0.00 0.00 23.12 20.01 1frf s ALA 296 CO 0.43 -0.21 0.99 0.25 0.00 0.00 0.00 175.76 177.22 1frf n THR 297 N -1.59 0.01 -3.43 0.00 -2.24 -1.10 -4.63 114.28 101.30 1frf n THR 297 Ca 0.06 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.53 1frf n THR 297 Cb 0.54 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.41 1frf n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1frf s ASP 298 N -3.13 2.46 -0.28 3.42 3.68 -1.26 -4.97 116.67 116.58 1frf s ASP 298 Ca 0.08 -2.26 0.01 0.00 2.13 0.00 0.00 52.55 52.51 1frf s ASP 298 Cb 0.16 -0.27 0.32 0.00 -1.45 0.00 0.00 42.92 41.69 1frf s ASP 298 CO 0.83 -0.28 1.67 0.47 0.13 0.00 0.00 175.17 178.00 1frf n ASP 299 N 3.86 4.46 0.00 -0.34 8.00 -1.26 -3.38 116.55 127.89 1frf n ASP 299 Ca 0.15 -2.97 0.15 0.00 0.71 0.00 0.00 54.79 52.83 1frf n ASP 299 Cb 0.40 -0.80 0.77 0.00 -0.02 0.00 0.00 41.12 41.47 1frf n ASP 299 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1frf n SER 300 N -0.21 0.00 -3.60 -2.24 3.41 -1.26 -4.86 113.62 104.86 1frf n SER 300 Ca 0.33 -0.20 -0.03 0.00 -0.26 0.00 0.00 58.87 58.71 1frf n SER 300 Cb 0.96 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.63 1frf n SER 300 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1frf s SER 301 N -2.53 -0.14 0.29 4.04 1.04 -1.26 -4.86 113.70 110.27 1frf s SER 301 Ca 0.30 -0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.64 1frf s SER 301 Cb 0.20 0.20 0.42 0.00 0.10 0.00 0.00 66.02 66.94 1frf s SER 301 CO 0.45 -0.33 1.96 -0.65 0.98 0.00 0.00 173.24 175.65 1frf h PRO 302 N 2.00 1.10 -0.26 4.02 0.11 -1.91 0.11 132.00 137.17 1frf h PRO 302 Ca -0.17 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 65.84 1frf h PRO 302 Cb 1.19 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1frf h PRO 302 CO 0.25 0.74 0.05 0.93 -0.21 0.00 0.00 178.00 179.77 1frf h GLU 303 N 1.13 0.42 0.00 1.05 3.07 -1.96 -0.72 114.58 117.57 1frf h GLU 303 Ca 0.30 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1frf h GLU 303 Cb -0.11 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.75 1frf h GLU 303 CO -0.06 0.53 -0.01 0.87 -1.40 0.00 0.00 179.01 178.94 1frf h LYS 304 N 0.24 0.00 0.05 2.33 1.57 -1.65 -1.79 116.57 117.32 1frf h LYS 304 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1frf h LYS 304 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1frf h LYS 304 CO 0.00 0.01 -0.03 1.25 -0.57 0.00 0.00 179.45 180.12 1frf h HIS 305 N 0.00 -0.07 -0.49 -1.35 2.76 -0.16 -1.96 115.15 113.88 1frf h HIS 305 Ca -0.00 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 1frf h HIS 305 Cb 0.41 0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.32 1frf h HIS 305 CO 0.00 0.53 0.11 -0.07 -1.30 0.00 0.00 177.93 177.20 1frf h LEU 306 N -0.91 0.03 -0.26 0.26 3.38 -0.99 -1.59 115.31 115.23 1frf h LEU 306 Ca -0.01 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1frf h LEU 306 Cb 0.63 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1frf h LEU 306 CO 0.01 0.04 -0.53 0.00 0.09 0.00 0.00 178.44 178.06 1frf h ALA 307 N 1.38 0.42 -0.14 1.53 0.00 -1.43 -3.34 119.26 117.67 1frf h ALA 307 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1frf h ALA 307 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1frf h ALA 307 CO -0.31 0.62 0.00 0.25 0.00 0.00 0.00 179.25 179.81 1frf n THR 308 N -4.06 0.17 -1.75 0.00 -2.24 -0.74 -4.96 114.28 100.71 1frf n THR 308 Ca -0.05 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 1frf n THR 308 Cb 0.62 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 1frf n THR 308 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1frf s SER 309 N -1.76 6.46 0.35 3.42 0.01 -0.63 -2.72 113.70 118.84 1frf s SER 309 Ca 0.34 2.69 0.03 0.00 1.31 0.00 0.00 55.95 60.31 1frf s SER 309 Cb 0.20 -2.56 0.65 0.00 0.21 0.00 0.00 66.02 64.52 1frf s SER 309 CO 0.30 -0.99 2.01 1.56 0.41 0.00 0.00 173.24 176.52 1frf h GLN 310 N 8.96 0.80 -4.06 12.44 4.20 -0.12 -2.80 115.11 134.52 1frf h GLN 310 Ca -0.46 -0.05 -0.76 0.00 0.06 0.00 0.00 58.65 57.44 1frf h GLN 310 Cb 1.22 -0.18 -0.25 0.00 0.30 0.00 0.00 27.48 28.57 1frf h GLN 310 CO 0.94 0.54 -0.19 -0.06 -0.67 0.00 0.00 178.83 179.40 1frf s PHE 311 N -5.68 3.35 1.02 2.96 0.40 0.02 -5.00 117.98 115.04 1frf s PHE 311 Ca -0.10 -1.46 -0.13 0.00 -0.60 0.00 0.00 56.93 54.64 1frf s PHE 311 Cb 0.17 -3.77 0.14 0.00 0.51 0.00 0.00 43.02 40.07 1frf s PHE 311 CO 0.76 -1.01 0.70 -0.35 0.70 0.00 0.00 175.22 176.02 1frf n PRO 312 N 5.01 -1.03 -3.88 0.24 -0.04 -1.06 -0.14 135.00 134.10 1frf n PRO 312 Ca -0.09 -0.26 -0.21 0.00 -0.04 0.00 0.00 63.50 62.90 1frf n PRO 312 Cb 0.41 -2.06 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 1frf n PRO 312 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1frf s SER 313 N -2.27 6.30 0.00 3.54 0.01 -1.26 -4.10 113.70 115.93 1frf s SER 313 Ca 0.62 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.99 1frf s SER 313 Cb -0.21 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1frf s SER 313 CO 0.64 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.79 1frf n GLY 314 N -1.47 2.57 2.73 3.44 0.00 -0.89 -4.93 105.19 106.64 1frf n GLY 314 Ca -0.08 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 1frf n GLY 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1frf s VAL 315 N -2.00 0.41 -0.24 1.61 0.11 -0.47 -1.22 120.40 118.59 1frf s VAL 315 Ca 0.00 -0.32 -0.10 0.00 -2.93 0.00 0.00 61.98 58.63 1frf s VAL 315 Cb 0.00 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1frf s VAL 315 CO 0.00 -0.09 0.15 -0.63 -3.33 0.00 0.00 175.10 171.21 1frf s ILE 316 N 1.92 5.26 0.19 7.04 1.01 0.11 -1.19 121.20 135.55 1frf s ILE 316 Ca 0.01 0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.89 1frf s ILE 316 Cb -0.16 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1frf s ILE 316 CO -0.07 0.34 -0.06 -0.89 0.00 0.00 0.00 174.94 174.26 1frf s THR 317 N 1.13 3.35 0.00 2.92 2.01 -1.26 -0.58 115.64 123.21 1frf s THR 317 Ca 0.07 -1.66 0.00 0.00 0.31 0.00 0.00 61.69 60.42 1frf s THR 317 Cb -0.14 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.68 1frf s THR 317 CO 0.05 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.43 1frf n GLY 318 N -0.16 2.24 1.79 4.40 0.00 -1.26 -1.67 105.19 110.53 1frf n GLY 318 Ca -0.10 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 1frf n GLY 318 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1frf n ARG 319 N 9.34 1.72 -2.14 1.61 1.74 -1.26 -3.48 116.66 124.19 1frf n ARG 319 Ca 0.00 -3.24 -0.36 0.00 -0.77 0.00 0.00 57.85 53.48 1frf n ARG 319 Cb 0.00 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 1frf n ARG 319 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1frf s ASP 320 N -3.17 5.42 0.00 0.55 -1.08 -0.67 -4.79 116.67 112.94 1frf s ASP 320 Ca 0.37 -0.08 0.29 0.00 -0.52 0.00 0.00 52.55 52.61 1frf s ASP 320 Cb 0.37 -2.54 1.60 0.00 -1.46 0.00 0.00 42.92 40.88 1frf s ASP 320 CO -0.06 -2.34 2.04 0.18 0.52 0.00 0.00 175.17 175.51 1frf n LEU 321 N 12.37 0.35 0.02 -1.34 4.77 -1.26 -3.17 117.00 128.74 1frf n LEU 321 Ca 0.23 -0.12 0.11 0.00 -0.03 0.00 0.00 56.01 56.20 1frf n LEU 321 Cb 0.50 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.64 1frf n LEU 321 CO 0.68 0.06 0.08 0.61 -1.33 0.00 0.00 177.39 177.49 1frf n GLY 322 N 1.01 -1.20 2.73 -0.72 0.00 -1.26 -4.63 105.19 101.13 1frf n GLY 322 Ca 0.21 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1frf n GLY 322 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1frf s LYS 323 N -3.14 1.73 -0.59 1.61 1.02 -1.19 -5.05 119.74 114.13 1frf s LYS 323 Ca 0.05 -2.63 -0.22 0.00 0.02 0.00 0.00 55.97 53.20 1frf s LYS 323 Cb 0.15 -2.64 0.06 0.00 -0.52 0.00 0.00 37.83 34.88 1frf s LYS 323 CO 0.79 -1.26 0.87 0.08 -0.92 0.00 0.00 175.35 174.91 1frf s VAL 324 N -0.50 4.50 0.91 3.17 1.01 -1.26 -4.55 120.40 123.67 1frf s VAL 324 Ca 0.24 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 1frf s VAL 324 Cb -0.10 -4.54 0.15 0.00 0.00 0.00 0.00 36.38 31.88 1frf s VAL 324 CO -0.11 -1.19 1.20 -1.81 0.00 0.00 0.00 175.10 173.19 1frf s ASP 325 N 3.21 3.57 0.15 3.32 -0.00 -0.33 -4.78 116.67 121.81 1frf s ASP 325 Ca 0.22 0.67 -0.07 0.00 -0.00 0.00 0.00 52.55 53.37 1frf s ASP 325 Cb -0.17 -1.04 -0.06 0.00 -0.00 0.00 0.00 42.92 41.66 1frf s ASP 325 CO 0.13 -2.48 0.42 0.20 -0.00 0.00 0.00 175.17 173.44 1frf s ASN 326 N -4.47 6.56 0.00 0.27 0.02 -1.26 -1.37 114.94 114.69 1frf s ASN 326 Ca 0.67 0.71 -0.30 0.00 -1.02 0.00 0.00 52.86 52.92 1frf s ASN 326 Cb -0.10 -2.14 -0.04 0.00 0.02 0.00 0.00 41.25 38.99 1frf s ASN 326 CO 0.52 0.05 1.09 -0.69 0.02 0.00 0.00 177.10 178.09 1frf s VAL 327 N -1.64 4.48 -0.45 1.60 1.01 -1.26 -4.79 120.40 119.35 1frf s VAL 327 Ca 0.41 1.78 -0.10 0.00 0.00 0.00 0.00 61.98 64.06 1frf s VAL 327 Cb -0.12 -4.14 0.10 0.00 0.00 0.00 0.00 36.38 32.22 1frf s VAL 327 CO 0.22 0.10 0.32 -0.62 0.00 0.00 0.00 175.10 175.13 1frf s ASP 328 N 1.10 5.74 0.63 3.32 3.68 -1.26 -4.95 116.67 124.92 1frf s ASP 328 Ca 0.55 -1.70 0.37 0.00 2.13 0.00 0.00 52.55 53.89 1frf s ASP 328 Cb -0.24 -2.02 2.10 0.00 -1.45 0.00 0.00 42.92 41.30 1frf s ASP 328 CO 0.27 -0.64 2.30 -0.07 0.13 0.00 0.00 175.17 177.16 1frf h LEU 329 N 8.48 0.00 -0.05 -1.34 4.07 -1.98 -0.49 115.31 124.01 1frf h LEU 329 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1frf h LEU 329 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1frf h LEU 329 CO 0.83 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.80 1frf n GLY 330 N -1.22 -1.57 0.07 0.83 0.00 -1.26 -3.29 105.19 98.75 1frf n GLY 330 Ca -0.03 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 1frf n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1frf h ALA 331 N 2.69 0.47 -2.74 4.61 0.00 -1.38 -3.47 119.26 119.44 1frf h ALA 331 Ca 0.00 -1.05 -0.55 0.00 0.00 0.00 0.00 54.91 53.31 1frf h ALA 331 Cb 0.60 0.01 0.10 0.00 0.00 0.00 0.00 17.79 18.51 1frf h ALA 331 CO 0.00 1.32 0.71 -0.89 0.00 0.00 0.00 179.25 180.39 1frf n ILE 332 N -3.26 1.73 -3.82 0.00 5.41 -1.21 -4.46 119.36 113.74 1frf n ILE 332 Ca -0.04 -0.43 -0.06 0.00 1.00 0.00 0.00 62.75 63.22 1frf n ILE 332 Cb 0.96 -1.82 -0.01 0.00 -0.71 0.00 0.00 39.64 38.06 1frf n ILE 332 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1frf s TYR 333 N -0.81 -0.11 -0.02 1.39 1.13 -0.84 -4.38 117.35 113.71 1frf s TYR 333 Ca 0.57 -0.34 -0.01 0.00 -1.41 0.00 0.00 57.07 55.88 1frf s TYR 333 Cb -0.52 0.71 0.02 0.00 -1.10 0.00 0.00 41.96 41.07 1frf s TYR 333 CO 0.59 -1.14 0.05 -1.21 -2.51 0.00 0.00 175.55 171.33 1frf s GLU 334 N -3.36 0.01 0.35 -3.49 2.02 0.06 -0.91 118.70 113.39 1frf s GLU 334 Ca 0.13 0.16 0.05 0.00 0.02 0.00 0.00 54.97 55.33 1frf s GLU 334 Cb -0.04 -0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.05 1frf s GLU 334 CO 0.06 -0.10 0.51 -0.51 0.02 0.00 0.00 175.26 175.24 1frf s ASP 335 N 0.65 5.96 -0.03 -0.19 1.11 -0.36 -2.06 116.67 121.75 1frf s ASP 335 Ca -0.05 -0.06 0.05 0.00 0.18 0.00 0.00 52.55 52.67 1frf s ASP 335 Cb -0.07 -1.34 0.08 0.00 1.07 0.00 0.00 42.92 42.65 1frf s ASP 335 CO -0.02 -0.47 0.95 1.33 1.18 0.00 0.00 175.17 178.14 1frf n VAL 336 N -1.73 0.61 -0.25 -1.27 0.24 -1.26 -1.05 118.33 113.62 1frf n VAL 336 Ca -0.00 -0.71 -0.04 0.00 -2.04 0.00 0.00 64.34 61.55 1frf n VAL 336 Cb 0.58 0.39 0.07 0.00 -1.47 0.00 0.00 33.84 33.41 1frf n VAL 336 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1frf h LYS 337 N 0.00 0.88 -0.51 7.34 3.64 -1.89 -2.67 116.57 123.36 1frf h LYS 337 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1frf h LYS 337 Cb 1.13 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1frf h LYS 337 CO 0.00 0.58 0.00 0.66 -2.27 0.00 0.00 179.45 178.42 1frf n TYR 338 N -4.63 0.92 -3.74 1.91 4.01 -1.25 -4.65 117.16 109.73 1frf n TYR 338 Ca 0.07 -0.58 -0.20 0.00 -0.16 0.00 0.00 57.90 57.03 1frf n TYR 338 Cb 0.06 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 38.95 1frf n TYR 338 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1frf s SER 339 N -1.10 5.74 -1.47 7.72 0.01 -1.01 -0.39 113.70 123.20 1frf s SER 339 Ca 0.39 -0.26 -0.08 0.00 1.31 0.00 0.00 55.95 57.31 1frf s SER 339 Cb 0.24 -1.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.20 1frf s SER 339 CO 0.21 -0.30 2.75 0.79 0.41 0.00 0.00 173.24 177.10 1frf n TRP 340 N -1.46 2.44 -4.22 2.43 8.01 0.12 -4.74 117.44 120.02 1frf n TRP 340 Ca -0.03 -2.96 -0.13 0.00 -1.31 0.00 0.00 57.50 53.08 1frf n TRP 340 Cb 0.58 -2.22 -0.10 0.00 -2.01 0.00 0.00 31.31 27.57 1frf n TRP 340 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1frf s TYR 341 N 0.82 1.11 0.61 -5.99 2.02 -1.22 -0.64 117.35 114.06 1frf s TYR 341 Ca 0.64 -0.91 -0.19 0.00 -0.37 0.00 0.00 57.07 56.24 1frf s TYR 341 Cb 0.19 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 41.10 1frf s TYR 341 CO -0.07 -0.11 1.17 0.00 -1.57 0.00 0.00 175.55 174.97 1frf n ALA 342 N -0.16 0.82 -1.28 3.71 0.00 0.26 -4.65 120.51 119.21 1frf n ALA 342 Ca -0.10 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 1frf n ALA 342 Cb 0.62 -2.24 0.12 0.00 0.00 0.00 0.00 19.45 17.94 1frf n ALA 342 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1frf s PRO 343 N -3.05 1.58 0.00 0.00 0.04 -1.26 -3.91 135.00 128.39 1frf s PRO 343 Ca 0.78 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1frf s PRO 343 Cb -0.40 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1frf s PRO 343 CO 0.44 -2.03 0.00 0.41 0.04 0.00 0.00 177.00 175.86 1frf n GLY 344 N -1.32 3.42 1.95 0.56 0.00 -1.26 -4.93 105.19 103.61 1frf n GLY 344 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1frf n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frf n GLY 345 N -1.95 3.71 3.72 -0.02 0.00 -1.25 -4.95 105.19 104.45 1frf n GLY 345 Ca 0.00 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 1frf n GLY 345 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1frf s ASP 346 N -0.89 7.03 0.00 1.61 1.11 -1.26 -3.99 116.67 120.28 1frf s ASP 346 Ca 0.49 1.24 0.00 0.00 0.18 0.00 0.00 52.55 54.46 1frf s ASP 346 Cb 0.40 -2.42 0.00 0.00 1.07 0.00 0.00 42.92 41.97 1frf s ASP 346 CO 0.11 -0.10 0.00 0.61 1.18 0.00 0.00 175.17 176.97 1frf n GLY 347 N 2.99 1.10 3.77 0.21 0.00 -0.91 -4.92 105.19 107.42 1frf n GLY 347 Ca -0.01 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 1frf n GLY 347 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1frf s LYS 348 N -1.20 4.42 0.31 1.61 3.01 -0.87 -4.75 119.74 122.27 1frf s LYS 348 Ca 0.00 0.96 -0.24 0.00 -1.01 0.00 0.00 55.97 55.68 1frf s LYS 348 Cb 0.00 -3.31 -0.10 0.00 -1.01 0.00 0.00 37.83 33.42 1frf s LYS 348 CO 0.00 0.45 0.90 -1.58 0.51 0.00 0.00 175.35 175.63 1frf s HIS 349 N -0.59 3.66 0.34 3.18 5.65 -1.26 -0.76 115.29 125.50 1frf s HIS 349 Ca 0.34 1.69 0.11 0.00 0.25 0.00 0.00 55.06 57.46 1frf s HIS 349 Cb -0.21 -2.85 1.04 0.00 -1.18 0.00 0.00 32.58 29.38 1frf s HIS 349 CO 0.22 0.22 1.60 -1.35 -0.65 0.00 0.00 174.74 174.77 1frf h PRO 350 N 3.14 0.07 0.00 2.88 0.11 -1.94 0.55 132.00 136.81 1frf h PRO 350 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1frf h PRO 350 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1frf h PRO 350 CO 0.65 0.04 0.00 1.88 -0.21 0.00 0.00 178.00 180.36 1frf h TYR 351 N 0.07 0.00 -0.01 0.65 0.05 -1.93 -1.34 116.97 114.46 1frf h TYR 351 Ca 0.72 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.50 1frf h TYR 351 Cb 1.70 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.44 1frf h TYR 351 CO -0.20 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 176.66 1frf n ASP 352 N -2.70 2.34 -4.53 3.88 10.43 0.18 -4.94 116.55 121.20 1frf n ASP 352 Ca -0.01 -2.83 -0.35 0.00 2.57 0.00 0.00 54.79 54.17 1frf n ASP 352 Cb 0.11 -0.33 0.10 0.00 1.84 0.00 0.00 41.12 42.84 1frf n ASP 352 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1frf n GLY 353 N -1.17 -1.08 2.72 0.44 0.00 -0.51 -4.71 105.19 100.89 1frf n GLY 353 Ca 0.12 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 1frf n GLY 353 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frf s VAL 354 N -2.05 0.08 -0.50 1.61 1.01 -1.26 -5.03 120.40 114.26 1frf s VAL 354 Ca 0.67 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.93 1frf s VAL 354 Cb -0.31 -0.29 0.13 0.00 0.00 0.00 0.00 36.38 35.92 1frf s VAL 354 CO 0.57 0.20 0.29 -0.89 0.00 0.00 0.00 175.10 175.26 1frf s THR 355 N 1.95 3.22 -0.65 3.92 2.01 -1.26 -5.00 115.64 119.84 1frf s THR 355 Ca 0.03 -2.64 0.03 0.00 0.31 0.00 0.00 61.69 59.42 1frf s THR 355 Cb -0.12 -3.18 0.16 0.00 0.01 0.00 0.00 72.50 69.36 1frf s THR 355 CO -0.04 -0.77 0.44 -0.62 -0.69 0.00 0.00 174.62 172.94 1frf s ASP 356 N 0.95 4.85 0.26 3.53 3.68 -1.26 -4.94 116.67 123.75 1frf s ASP 356 Ca 0.13 -3.38 -0.31 0.00 2.13 0.00 0.00 52.55 51.12 1frf s ASP 356 Cb -0.22 -1.71 -0.12 0.00 -1.45 0.00 0.00 42.92 39.42 1frf s ASP 356 CO -0.04 -0.19 1.62 -0.81 0.13 0.00 0.00 175.17 175.88 1frf n PRO 357 N 2.66 2.65 -3.32 4.34 -0.04 -1.26 -0.57 135.00 139.45 1frf n PRO 357 Ca 0.13 0.95 -0.11 0.00 -0.04 0.00 0.00 63.50 64.42 1frf n PRO 357 Cb 0.35 -2.74 -0.06 0.00 -0.04 0.00 0.00 33.50 31.00 1frf n PRO 357 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1frf s LYS 358 N 0.04 0.54 0.53 0.54 2.20 0.18 -4.70 119.74 119.08 1frf s LYS 358 Ca 0.68 -0.32 -0.18 0.00 -0.36 0.00 0.00 55.97 55.78 1frf s LYS 358 Cb -0.52 -0.44 -0.06 0.00 -1.51 0.00 0.00 37.83 35.29 1frf s LYS 358 CO 0.44 -1.12 1.05 -0.47 -0.36 0.00 0.00 175.35 174.89 1frf s TYR 359 N 2.01 2.98 0.00 4.03 6.14 -1.26 -3.42 117.35 127.83 1frf s TYR 359 Ca 0.13 1.55 0.00 0.00 0.64 0.00 0.00 57.07 59.39 1frf s TYR 359 Cb -0.13 -3.06 0.00 0.00 0.42 0.00 0.00 41.96 39.20 1frf s TYR 359 CO -0.17 -0.99 0.00 0.25 0.64 0.00 0.00 175.55 175.28 1frf n THR 360 N -1.41 0.00 -4.01 4.34 -2.24 -1.26 -5.05 114.28 104.65 1frf n THR 360 Ca 0.09 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.78 1frf n THR 360 Cb 0.53 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 1frf n THR 360 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1frf s LYS 361 N 0.36 1.54 0.22 -0.78 -2.85 -1.26 -5.13 119.74 111.82 1frf s LYS 361 Ca 0.00 -1.27 -0.30 0.00 -1.00 0.00 0.00 55.97 53.40 1frf s LYS 361 Cb 0.00 0.46 -0.09 0.00 -2.06 0.00 0.00 37.83 36.15 1frf s LYS 361 CO 0.00 -0.64 1.18 -0.51 0.10 0.00 0.00 175.35 175.49 1frf s LEU 362 N -3.03 4.47 -1.06 2.77 1.43 -1.26 -3.84 118.68 118.16 1frf s LEU 362 Ca 0.23 2.27 -0.11 0.00 -1.03 0.00 0.00 54.13 55.50 1frf s LEU 362 Cb -0.00 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 1frf s LEU 362 CO 0.09 -0.33 0.86 0.47 0.23 0.00 0.00 176.35 177.67 1frf n ASP 363 N 2.10 -6.27 0.01 2.29 10.43 -1.26 -4.94 116.55 118.91 1frf n ASP 363 Ca 0.03 -0.78 -0.13 0.00 2.57 0.00 0.00 54.79 56.48 1frf n ASP 363 Cb 0.44 -4.57 -0.14 0.00 1.84 0.00 0.00 41.12 38.70 1frf n ASP 363 CO 0.00 0.00 0.00 -0.78 -1.07 0.00 0.00 177.20 175.35 1frf h ASP 364 N -1.26 0.17 0.00 -2.24 -0.00 -1.69 -3.48 116.42 107.93 1frf h ASP 364 Ca -0.60 -0.33 0.00 0.00 -0.00 0.00 0.00 57.03 56.10 1frf h ASP 364 Cb 1.31 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 40.58 1frf h ASP 364 CO 0.45 1.29 0.00 0.29 -0.00 0.00 0.00 179.24 181.27 1frf n LYS 365 N -3.25 0.00 0.05 0.28 5.02 -1.26 -4.43 118.16 114.57 1frf n LYS 365 Ca -0.19 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.08 1frf n LYS 365 Cb 1.04 -0.06 -0.08 0.00 -0.02 0.00 0.00 35.03 35.92 1frf n LYS 365 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1frf h ASP 366 N 0.00 0.00 -2.27 4.39 3.45 -1.92 -3.43 116.42 116.64 1frf h ASP 366 Ca 0.00 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.13 1frf h ASP 366 Cb 0.00 0.00 -0.34 0.00 -0.56 0.00 0.00 39.33 38.43 1frf h ASP 366 CO 0.00 0.69 -0.63 -1.00 -1.57 0.00 0.00 179.24 176.73 1frf s HIS 367 N -2.85 -0.39 -0.02 4.55 3.76 -1.26 -3.91 115.29 115.17 1frf s HIS 367 Ca -0.01 -0.04 0.04 0.00 -0.15 0.00 0.00 55.06 54.90 1frf s HIS 367 Cb 0.08 -0.43 0.06 0.00 1.11 0.00 0.00 32.58 33.41 1frf s HIS 367 CO 0.80 -0.82 1.03 2.48 -0.85 0.00 0.00 174.74 177.39 1frf n TYR 368 N 5.31 0.00 -3.55 1.40 0.18 0.48 -3.97 117.16 117.02 1frf n TYR 368 Ca -0.03 -0.19 -0.16 0.00 1.88 0.00 0.00 57.90 59.39 1frf n TYR 368 Cb 0.47 -0.07 -0.06 0.00 -0.38 0.00 0.00 39.34 39.30 1frf n TYR 368 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1frf s SER 369 N -1.36 -0.63 0.00 9.48 0.15 -1.20 -3.96 113.70 116.17 1frf s SER 369 Ca 0.06 0.79 0.28 0.00 0.70 0.00 0.00 55.95 57.78 1frf s SER 369 Cb 0.06 0.65 1.04 0.00 -1.71 0.00 0.00 66.02 66.06 1frf s SER 369 CO 0.00 -0.51 1.74 0.79 1.20 0.00 0.00 173.24 176.46 1frf n TRP 370 N 1.18 0.00 -3.48 3.44 7.02 -1.13 0.14 117.44 124.61 1frf n TRP 370 Ca -0.17 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 55.99 1frf n TRP 370 Cb 0.57 -0.08 -0.05 0.00 -2.42 0.00 0.00 31.31 29.33 1frf n TRP 370 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1frf s MET 371 N -2.27 3.75 0.69 -0.99 -1.94 -1.26 -4.75 119.30 112.53 1frf s MET 371 Ca 0.32 0.18 -0.04 0.00 -1.71 0.00 0.00 55.69 54.44 1frf s MET 371 Cb 0.20 -2.70 0.09 0.00 2.01 0.00 0.00 34.83 34.43 1frf s MET 371 CO 0.43 0.35 0.97 0.15 -0.01 0.00 0.00 175.02 176.92 1frf s LYS 372 N -2.79 1.99 -0.68 2.03 1.02 -1.26 -4.53 119.74 115.51 1frf s LYS 372 Ca 0.46 -0.66 -0.05 0.00 0.02 0.00 0.00 55.97 55.74 1frf s LYS 372 Cb -0.11 -2.27 0.18 0.00 -0.52 0.00 0.00 37.83 35.10 1frf s LYS 372 CO 0.22 -1.27 0.52 0.00 -0.92 0.00 0.00 175.35 173.90 1frf s ALA 373 N -3.15 3.71 0.01 5.17 0.00 -0.21 -4.35 121.76 122.94 1frf s ALA 373 Ca 0.62 -3.32 -0.30 0.00 0.00 0.00 0.00 51.96 48.97 1frf s ALA 373 Cb -0.08 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.14 1frf s ALA 373 CO 0.44 -2.15 1.48 -2.14 0.00 0.00 0.00 175.76 173.39 1frf s PRO 374 N -0.10 4.25 0.13 0.00 0.02 -1.26 -1.22 135.00 136.82 1frf s PRO 374 Ca 0.18 2.07 0.09 0.00 0.02 0.00 0.00 61.00 63.35 1frf s PRO 374 Cb -0.18 -3.62 -0.04 0.00 0.02 0.00 0.00 34.50 30.69 1frf s PRO 374 CO -0.05 -0.64 -0.20 1.03 -0.33 0.00 0.00 177.00 176.81 1frf s ARG 375 N 2.62 1.22 0.00 5.54 1.81 -0.09 -4.65 118.95 125.40 1frf s ARG 375 Ca 0.67 -1.28 0.00 0.00 -1.72 0.00 0.00 55.73 53.39 1frf s ARG 375 Cb -0.33 -1.42 0.00 0.00 -0.45 0.00 0.00 34.95 32.75 1frf s ARG 375 CO 0.28 0.31 0.00 0.98 -0.68 0.00 0.00 175.30 176.19 1frf n TYR 376 N 0.74 0.00 -1.91 -0.53 9.36 -0.08 -1.99 117.16 122.74 1frf n TYR 376 Ca -0.17 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.77 1frf n TYR 376 Cb 0.55 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.29 1frf n TYR 376 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1frf n LYS 377 N -0.45 3.31 0.00 2.98 5.02 -1.26 -4.12 118.16 123.64 1frf n LYS 377 Ca 0.00 -3.96 0.00 0.00 -2.02 0.00 0.00 58.31 52.33 1frf n LYS 377 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.73 1frf n LYS 377 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1frf n GLY 378 N -0.72 0.88 3.53 0.72 0.00 -1.26 -5.11 105.19 103.24 1frf n GLY 378 Ca 0.49 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.24 1frf n GLY 378 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1frf s LYS 379 N -0.41 1.91 0.40 1.61 -2.85 -1.26 -5.03 119.74 114.11 1frf s LYS 379 Ca 0.00 -1.37 -0.24 0.00 -1.00 0.00 0.00 55.97 53.37 1frf s LYS 379 Cb 0.00 -2.06 -0.09 0.00 -2.06 0.00 0.00 37.83 33.62 1frf s LYS 379 CO 0.00 0.42 1.01 0.00 0.10 0.00 0.00 175.35 176.88 1frf s ALA 380 N -1.77 3.08 -0.04 0.59 0.00 -1.26 -0.90 121.76 121.46 1frf s ALA 380 Ca 0.24 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.84 1frf s ALA 380 Cb -0.08 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1frf s ALA 380 CO 0.14 -0.10 -0.11 -1.64 0.00 0.00 0.00 175.76 174.05 1frf s MET 381 N -2.59 1.30 -0.07 0.00 1.00 -1.26 -4.55 119.30 113.13 1frf s MET 381 Ca 0.58 -0.36 -0.19 0.00 0.00 0.00 0.00 55.69 55.71 1frf s MET 381 Cb -0.19 -1.15 -0.05 0.00 0.00 0.00 0.00 34.83 33.45 1frf s MET 381 CO 0.24 0.09 0.54 -2.00 0.00 0.00 0.00 175.02 173.88 1frf s GLU 382 N 0.39 4.32 0.22 2.03 2.12 0.24 -4.29 118.70 123.73 1frf s GLU 382 Ca -0.08 0.59 0.11 0.00 0.36 0.00 0.00 54.97 55.95 1frf s GLU 382 Cb -0.12 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 1frf s GLU 382 CO 0.02 0.24 -0.20 0.14 -0.54 0.00 0.00 175.26 174.92 1frf s VAL 383 N 0.30 2.22 -0.37 3.70 -7.23 -1.26 -1.67 120.40 116.09 1frf s VAL 383 Ca 0.29 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1frf s VAL 383 Cb -0.16 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1frf s VAL 383 CO 0.13 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 1frf n GLY 384 N -0.16 0.46 0.24 2.32 0.00 -1.17 -4.58 105.19 102.28 1frf n GLY 384 Ca -0.09 -2.27 -0.00 0.00 0.00 0.00 0.00 46.02 43.66 1frf n GLY 384 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1frf h PRO 385 N 3.56 0.04 -0.61 1.61 0.13 -1.83 -0.56 132.00 134.34 1frf h PRO 385 Ca 0.00 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1frf h PRO 385 Cb 0.00 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.09 1frf h PRO 385 CO 0.00 0.02 0.31 1.25 -0.23 0.00 0.00 178.00 179.35 1frf h LEU 386 N 0.04 0.78 -0.09 1.56 5.85 -1.88 0.55 115.31 122.11 1frf h LEU 386 Ca 0.31 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1frf h LEU 386 Cb 0.48 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1frf h LEU 386 CO -0.60 0.68 0.06 0.00 -0.34 0.00 0.00 178.44 178.24 1frf h ALA 387 N 1.13 0.12 -0.14 1.25 0.00 -1.67 -0.67 119.26 119.28 1frf h ALA 387 Ca 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1frf h ALA 387 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1frf h ALA 387 CO -0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 179.25 178.83 1frf h ARG 388 N 0.11 0.03 -0.06 0.00 3.08 -0.91 -0.56 114.38 116.08 1frf h ARG 388 Ca 0.03 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1frf h ARG 388 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1frf h ARG 388 CO -0.01 0.02 0.03 1.15 -1.07 0.00 0.00 179.97 180.10 1frf h THR 389 N 0.03 1.01 0.56 2.04 2.02 -0.74 0.17 112.91 118.00 1frf h THR 389 Ca 0.07 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1frf h THR 389 Cb 0.09 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1frf h THR 389 CO -0.13 0.01 -0.31 -0.26 0.37 0.00 0.00 175.52 175.21 1frf h PHE 390 N 0.07 -0.80 -0.48 3.16 0.05 -0.99 0.73 116.94 118.67 1frf h PHE 390 Ca 0.02 -0.01 0.03 0.00 3.82 0.00 0.00 57.97 61.83 1frf h PHE 390 Cb -0.00 0.28 -0.04 0.00 2.00 0.00 0.00 35.95 38.19 1frf h PHE 390 CO -0.08 -0.48 0.27 0.82 -0.18 0.00 0.00 178.31 178.66 1frf h ILE 391 N -0.81 1.01 -0.62 -0.55 2.04 -1.07 0.23 117.51 117.73 1frf h ILE 391 Ca -0.07 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1frf h ILE 391 Cb 0.64 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1frf h ILE 391 CO 0.10 0.10 0.22 0.00 0.00 0.00 0.00 178.15 178.57 1frf h ALA 392 N 1.24 0.81 0.03 1.87 0.00 -0.57 -2.01 119.26 120.63 1frf h ALA 392 Ca 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1frf h ALA 392 Cb 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1frf h ALA 392 CO -0.12 0.46 -0.01 -0.92 0.00 0.00 0.00 179.25 178.66 1frf h TYR 393 N 0.88 -0.04 -0.63 0.00 3.20 -0.64 -0.82 116.97 118.92 1frf h TYR 393 Ca 0.20 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.26 1frf h TYR 393 Cb 0.25 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1frf h TYR 393 CO 0.02 0.28 0.50 0.00 -1.64 0.00 0.00 178.16 177.32 1frf h ALA 394 N 0.60 2.52 -0.01 1.82 0.00 -0.73 0.20 119.26 123.67 1frf h ALA 394 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1frf h ALA 394 Cb 0.33 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1frf h ALA 394 CO 0.01 -0.83 -0.24 1.63 0.00 0.00 0.00 179.25 179.82 1frf n LYS 395 N -4.14 0.90 -1.64 0.00 5.02 -0.78 -4.94 118.16 112.57 1frf n LYS 395 Ca 0.12 -0.53 -0.00 0.00 -2.02 0.00 0.00 58.31 55.88 1frf n LYS 395 Cb 0.75 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.27 1frf n LYS 395 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1frf n GLY 396 N 1.33 0.37 3.61 0.72 0.00 0.71 -4.96 105.19 106.98 1frf n GLY 396 Ca 0.13 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 1frf n GLY 396 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1frf s GLN 397 N -3.29 3.36 0.05 1.61 -0.44 -0.33 -4.86 119.66 115.75 1frf s GLN 397 Ca 0.00 1.82 -0.10 0.00 -2.50 0.00 0.00 55.36 54.59 1frf s GLN 397 Cb 0.00 -4.26 -0.02 0.00 -1.64 0.00 0.00 33.01 27.09 1frf s GLN 397 CO 0.00 -1.83 0.97 -2.30 0.50 0.00 0.00 175.29 172.63 1frf n PRO 398 N 8.42 -0.14 -0.20 1.67 -0.02 -1.26 -1.51 135.00 141.96 1frf n PRO 398 Ca 0.25 0.96 -0.00 0.00 -2.02 0.00 0.00 63.50 62.69 1frf n PRO 398 Cb 0.45 -1.43 0.07 0.00 -0.02 0.00 0.00 33.50 32.58 1frf n PRO 398 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1frf h ASP 399 N 0.00 -0.46 -0.77 2.55 3.32 -1.98 -0.18 116.42 118.89 1frf h ASP 399 Ca 0.05 0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1frf h ASP 399 Cb 0.13 0.34 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1frf h ASP 399 CO -0.29 -0.17 0.38 -0.26 -1.72 0.00 0.00 179.24 177.17 1frf h PHE 400 N 0.04 1.11 0.21 4.55 0.04 -1.69 -2.11 116.94 119.08 1frf h PHE 400 Ca 0.30 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 1frf h PHE 400 Cb 0.48 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1frf h PHE 400 CO -0.45 0.81 -0.10 0.87 -0.60 0.00 0.00 178.31 178.83 1frf h LYS 401 N 1.11 -0.27 0.18 1.51 1.57 0.02 0.14 116.57 120.84 1frf h LYS 401 Ca 0.27 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1frf h LYS 401 Cb 0.11 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1frf h LYS 401 CO -0.04 -0.11 -0.47 0.87 -0.57 0.00 0.00 179.45 179.14 1frf h LYS 402 N -0.37 -0.69 -0.21 3.15 1.57 -1.00 -0.64 116.57 118.38 1frf h LYS 402 Ca -0.03 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1frf h LYS 402 Cb 0.28 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1frf h LYS 402 CO 0.05 -0.46 0.11 0.28 -0.57 0.00 0.00 179.45 178.86 1frf h VAL 403 N -0.72 1.12 -0.74 0.50 2.07 -1.37 -0.19 116.25 116.92 1frf h VAL 403 Ca -0.02 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1frf h VAL 403 Cb 0.69 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1frf h VAL 403 CO -0.21 0.11 0.49 0.58 0.02 0.00 0.00 177.57 178.56 1frf h VAL 404 N 0.23 1.19 -0.09 2.57 2.07 -0.58 -0.82 116.25 120.82 1frf h VAL 404 Ca 0.07 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1frf h VAL 404 Cb 0.08 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1frf h VAL 404 CO -0.01 0.19 -0.44 0.44 0.02 0.00 0.00 177.57 177.77 1frf h ASP 405 N 1.00 0.22 -0.67 0.57 3.32 -0.97 0.44 116.42 120.33 1frf h ASP 405 Ca 0.27 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 1frf h ASP 405 Cb -0.11 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1frf h ASP 405 CO -0.06 0.64 0.10 -0.03 -1.72 0.00 0.00 179.24 178.17 1frf h MET 406 N 0.17 1.12 0.18 3.56 1.85 -0.39 -0.42 114.93 121.00 1frf h MET 406 Ca 0.01 -0.31 -0.01 0.00 -0.61 0.00 0.00 59.70 58.79 1frf h MET 406 Cb 0.85 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.75 1frf h MET 406 CO 0.07 1.03 -0.09 0.28 -0.40 0.00 0.00 176.91 177.80 1frf h VAL 407 N 1.04 0.70 -0.99 -5.77 2.07 -0.80 -0.64 116.25 111.86 1frf h VAL 407 Ca 0.20 -1.09 0.22 0.00 0.82 0.00 0.00 66.70 66.85 1frf h VAL 407 Cb 0.46 1.19 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 1frf h VAL 407 CO 0.01 0.19 0.62 -0.07 0.02 0.00 0.00 177.57 178.35 1frf h LEU 408 N -0.92 0.59 0.40 2.57 4.07 -0.15 -0.98 115.31 120.90 1frf h LEU 408 Ca -0.02 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 1frf h LEU 408 Cb 0.49 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1frf h LEU 408 CO 0.04 0.18 -0.19 1.23 -1.08 0.00 0.00 178.44 178.62 1frf h GLY 409 N 0.56 -0.56 0.75 0.83 0.00 -1.06 -0.37 103.07 103.22 1frf h GLY 409 Ca 0.56 0.21 0.15 0.00 0.00 0.00 0.00 47.33 48.25 1frf h GLY 409 CO -0.31 -0.20 0.48 1.70 0.00 0.00 0.00 176.54 178.21 1frf h LYS 410 N -0.99 0.00 0.00 4.80 1.63 -0.81 0.31 116.57 121.51 1frf h LYS 410 Ca -0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1frf h LYS 410 Cb 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1frf h LYS 410 CO 0.09 0.00 -0.84 1.28 -3.45 0.00 0.00 179.45 176.53 1frf n LEU 411 N -3.85 0.64 -3.86 5.20 4.32 -0.40 -4.97 117.00 114.08 1frf n LEU 411 Ca 0.09 0.06 -0.30 0.00 -0.02 0.00 0.00 56.01 55.85 1frf n LEU 411 Cb 0.69 -0.14 0.02 0.00 -1.62 0.00 0.00 43.42 42.37 1frf n LEU 411 CO 0.30 0.02 0.08 -0.24 -1.22 0.00 0.00 177.39 176.33 1frf n SER 412 N -1.97 -4.65 -4.60 -1.43 2.88 0.11 -4.98 113.62 98.97 1frf n SER 412 Ca 0.03 -0.74 -0.25 0.00 -1.33 0.00 0.00 58.87 56.58 1frf n SER 412 Cb 0.43 -3.73 -0.09 0.00 -0.75 0.00 0.00 64.21 60.07 1frf n SER 412 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1frf s VAL 413 N -3.25 2.56 0.00 2.46 -7.23 -1.00 -5.05 120.40 108.89 1frf s VAL 413 Ca 0.64 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1frf s VAL 413 Cb -0.32 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 33.89 1frf s VAL 413 CO 0.79 -0.22 0.00 -2.65 -0.31 0.00 0.00 175.10 172.71 1frf n PRO 414 N -0.89 0.00 0.00 4.82 -0.02 -1.26 -4.67 135.00 132.97 1frf n PRO 414 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1frf n PRO 414 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.10 1frf n PRO 414 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1frf n ALA 415 N -3.00 0.00 0.28 3.55 0.00 -1.26 -4.76 120.51 115.32 1frf n ALA 415 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1frf n ALA 415 Cb 0.00 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.26 1frf n ALA 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1frf h THR 416 N 0.00 0.21 0.00 0.00 1.03 -1.99 -1.66 112.91 110.50 1frf h THR 416 Ca 0.00 -0.45 -0.02 0.00 -0.01 0.00 0.00 66.41 65.93 1frf h THR 416 Cb 0.00 1.36 -0.00 0.00 -1.07 0.00 0.00 68.15 68.44 1frf h THR 416 CO 0.00 0.05 -0.12 0.00 -0.01 0.00 0.00 175.52 175.45 1frf h ALA 417 N 1.95 1.04 0.00 0.00 0.00 -1.86 -2.68 119.26 117.71 1frf h ALA 417 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1frf h ALA 417 Cb 0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1frf h ALA 417 CO 0.01 0.15 -0.16 -0.07 0.00 0.00 0.00 179.25 179.17 1frf h LEU 418 N 0.00 0.00 -6.77 0.00 3.38 -1.56 -3.37 115.31 106.99 1frf h LEU 418 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1frf h LEU 418 Cb 0.60 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.37 1frf h LEU 418 CO 0.02 0.16 2.12 1.41 0.09 0.00 0.00 178.44 182.23 1frf n HIS 419 N -3.45 2.20 -3.93 1.13 8.25 -1.01 -3.60 115.22 114.82 1frf n HIS 419 Ca -0.01 -1.84 0.01 0.00 -0.26 0.00 0.00 57.72 55.63 1frf n HIS 419 Cb 0.33 -1.95 0.01 0.00 1.12 0.00 0.00 29.99 29.50 1frf n HIS 419 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1frf n SER 420 N 8.72 -0.77 -0.02 0.41 3.41 -1.26 -3.80 113.62 120.31 1frf n SER 420 Ca 0.49 -1.19 -0.14 0.00 -0.26 0.00 0.00 58.87 57.77 1frf n SER 420 Cb 0.42 1.20 -0.02 0.00 -0.26 0.00 0.00 64.21 65.55 1frf n SER 420 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1frf h THR 421 N 1.62 1.30 -0.77 6.66 2.02 -1.07 0.73 112.91 123.40 1frf h THR 421 Ca -0.13 -1.90 -0.03 0.00 0.77 0.00 0.00 66.41 65.11 1frf h THR 421 Cb 0.73 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 1frf h THR 421 CO 0.19 0.60 0.36 0.25 0.37 0.00 0.00 175.52 177.29 1frf h LEU 422 N 0.50 1.01 0.07 2.58 7.12 -1.67 -1.80 115.31 123.12 1frf h LEU 422 Ca -0.02 -0.14 -0.00 0.00 0.13 0.00 0.00 57.88 57.85 1frf h LEU 422 Cb 1.26 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 1frf h LEU 422 CO 0.13 0.87 -0.03 1.23 -0.13 0.00 0.00 178.44 180.50 1frf h GLY 423 N 1.08 -0.10 0.57 3.75 0.00 -1.44 -1.90 103.07 105.04 1frf h GLY 423 Ca 0.26 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.71 1frf h GLY 423 CO -0.03 -0.04 0.49 -0.09 0.00 0.00 0.00 176.54 176.87 1frf h ARG 424 N -0.26 0.81 -0.48 4.80 2.43 -0.75 -0.17 114.38 120.77 1frf h ARG 424 Ca -0.01 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1frf h ARG 424 Cb 0.22 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1frf h ARG 424 CO 0.02 0.53 0.10 1.15 -1.51 0.00 0.00 179.97 180.26 1frf h THR 425 N 0.83 1.24 -0.23 0.20 2.02 -1.12 -2.86 112.91 113.00 1frf h THR 425 Ca 0.39 -0.86 -0.19 0.00 0.77 0.00 0.00 66.41 66.52 1frf h THR 425 Cb 0.31 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1frf h THR 425 CO -0.23 0.31 -0.61 0.00 0.37 0.00 0.00 175.52 175.36 1frf h ALA 426 N 0.97 0.49 -0.69 6.16 0.00 -0.89 -3.20 119.26 122.11 1frf h ALA 426 Ca 0.15 -0.54 0.09 0.00 0.00 0.00 0.00 54.91 54.61 1frf h ALA 426 Cb 0.35 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1frf h ALA 426 CO 0.00 0.69 0.35 0.00 0.00 0.00 0.00 179.25 180.29 1frf h ALA 427 N 0.74 0.95 -0.98 0.00 0.00 -0.96 0.36 119.26 119.37 1frf h ALA 427 Ca -0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1frf h ALA 427 Cb 1.20 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1frf h ALA 427 CO 0.13 -0.05 0.63 -0.09 0.00 0.00 0.00 179.25 179.87 1frf h ARG 428 N 0.60 1.11 -0.01 0.00 2.43 -1.50 -1.06 114.38 115.96 1frf h ARG 428 Ca 0.34 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1frf h ARG 428 Cb 0.34 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1frf h ARG 428 CO -0.26 0.74 -0.01 0.78 -1.51 0.00 0.00 179.97 179.71 1frf h GLY 429 N 1.15 0.02 -0.33 2.80 0.00 -1.04 -2.77 103.07 102.89 1frf h GLY 429 Ca 0.42 -0.02 0.20 0.00 0.00 0.00 0.00 47.33 47.92 1frf h GLY 429 CO -0.17 0.02 0.14 -2.22 0.00 0.00 0.00 176.54 174.31 1frf h ILE 430 N -0.55 0.37 0.00 2.60 2.04 0.07 0.25 117.51 122.29 1frf h ILE 430 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1frf h ILE 430 Cb 0.59 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1frf h ILE 430 CO 0.00 0.03 0.00 1.05 0.00 0.00 0.00 178.15 179.24 1frf h GLU 431 N 0.19 0.00 -0.40 2.37 4.11 -1.24 -2.50 114.58 117.11 1frf h GLU 431 Ca 0.47 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.80 1frf h GLU 431 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1frf h GLU 431 CO -0.63 0.00 -0.16 1.15 0.07 0.00 0.00 179.01 179.45 1frf h THR 432 N 0.00 1.28 -0.64 -1.06 2.02 -0.26 0.17 112.91 114.43 1frf h THR 432 Ca 0.00 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 1frf h THR 432 Cb 0.95 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 1frf h THR 432 CO 0.00 0.43 0.37 0.00 0.37 0.00 0.00 175.52 176.68 1frf h ALA 433 N 0.82 1.44 -0.02 6.16 0.00 -1.07 -0.47 119.26 126.12 1frf h ALA 433 Ca 0.09 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1frf h ALA 433 Cb 0.70 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1frf h ALA 433 CO 0.05 0.47 -0.41 0.82 0.00 0.00 0.00 179.25 180.18 1frf h ILE 434 N 0.89 1.46 -0.73 0.00 2.04 -0.96 -1.20 117.51 119.00 1frf h ILE 434 Ca 0.23 -1.94 0.03 0.00 1.00 0.00 0.00 64.86 64.18 1frf h ILE 434 Cb -0.00 2.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1frf h ILE 434 CO -0.04 0.55 0.48 0.58 0.00 0.00 0.00 178.15 179.72 1frf h VAL 435 N -0.24 1.11 -0.33 1.67 2.07 -0.46 0.17 116.25 120.24 1frf h VAL 435 Ca -0.05 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1frf h VAL 435 Cb 1.12 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1frf h VAL 435 CO 0.08 0.16 -0.08 0.00 0.02 0.00 0.00 177.57 177.75 1frf h ALA 437 N 1.41 1.44 -0.00 0.00 0.00 0.59 -3.21 119.26 119.47 1frf h ALA 437 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1frf h ALA 437 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1frf h ALA 437 CO 0.02 0.28 -0.80 0.09 0.00 0.00 0.00 179.25 178.85 1frf n ASN 438 N -3.99 1.01 0.11 0.00 4.13 -0.73 -4.70 115.26 111.09 1frf n ASN 438 Ca -0.02 -0.89 -0.14 0.00 1.68 0.00 0.00 54.58 55.21 1frf n ASN 438 Cb 0.30 0.74 -0.07 0.00 -1.54 0.00 0.00 39.78 39.21 1frf n ASN 438 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 1frf h MET 439 N 0.34 -0.61 -0.48 3.52 2.86 -1.50 -1.96 114.93 117.11 1frf h MET 439 Ca 0.00 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.77 1frf h MET 439 Cb 0.53 0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.25 1frf h MET 439 CO 0.00 -0.41 -0.02 1.49 1.06 0.00 0.00 176.91 179.03 1frf h GLU 440 N -0.63 0.09 0.31 1.72 4.81 -1.84 0.82 114.58 119.85 1frf h GLU 440 Ca 0.03 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1frf h GLU 440 Cb 0.67 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1frf h GLU 440 CO -0.24 0.06 -0.31 -0.22 -0.73 0.00 0.00 179.01 177.56 1frf h LYS 441 N 0.09 -0.59 -0.84 1.92 3.64 -1.83 -1.10 116.57 117.84 1frf h LYS 441 Ca 0.24 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.82 1frf h LYS 441 Cb 0.36 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.21 1frf h LYS 441 CO -0.42 -0.40 0.40 -1.49 -2.27 0.00 0.00 179.45 175.28 1frf h TRP 442 N -0.62 0.70 -0.52 1.91 6.55 -1.05 -1.30 115.95 121.61 1frf h TRP 442 Ca -0.04 0.04 -0.05 0.00 0.95 0.00 0.00 58.89 59.79 1frf h TRP 442 Cb 0.53 -0.18 -0.02 0.00 -0.86 0.00 0.00 29.16 28.63 1frf h TRP 442 CO -0.18 0.11 0.13 0.82 -1.05 0.00 0.00 178.44 178.27 1frf h ILE 443 N 0.54 1.24 -0.58 1.49 2.04 -0.73 -2.90 117.51 118.60 1frf h ILE 443 Ca 0.48 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 1frf h ILE 443 Cb 0.75 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1frf h ILE 443 CO -0.41 0.31 0.13 0.50 0.00 0.00 0.00 178.15 178.68 1frf h LYS 444 N 0.72 0.91 0.17 2.37 1.63 -0.08 0.13 116.57 122.43 1frf h LYS 444 Ca 0.16 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1frf h LYS 444 Cb 0.32 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1frf h LYS 444 CO 0.00 0.82 -0.11 1.49 -3.45 0.00 0.00 179.45 178.20 1frf h GLU 445 N 0.87 -0.27 0.00 1.90 4.81 -1.30 0.15 114.58 120.74 1frf h GLU 445 Ca 0.19 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1frf h GLU 445 Cb 0.33 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1frf h GLU 445 CO 0.00 -0.18 -0.38 1.98 -0.73 0.00 0.00 179.01 179.70 1frf h MET 446 N -0.28 0.00 -0.25 1.92 4.05 -1.27 0.70 114.93 119.80 1frf h MET 446 Ca -0.01 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.26 1frf h MET 446 Cb 0.24 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1frf h MET 446 CO 0.01 0.38 -0.45 0.00 0.23 0.00 0.00 176.91 177.07 1frf h ALA 447 N 1.62 0.74 0.04 0.39 0.00 -0.44 -1.08 119.26 120.53 1frf h ALA 447 Ca -0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 1frf h ALA 447 Cb 0.84 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.55 1frf h ALA 447 CO 0.05 0.67 -0.98 -0.44 0.00 0.00 0.00 179.25 178.55 1frf h ASP 448 N 0.51 0.79 0.15 0.00 3.45 -0.34 -2.90 116.42 118.08 1frf h ASP 448 Ca 0.03 -0.78 -0.01 0.00 0.43 0.00 0.00 57.03 56.71 1frf h ASP 448 Cb 0.99 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 1frf h ASP 448 CO 0.09 1.48 -0.07 -1.28 -1.57 0.00 0.00 179.24 177.89 1frf h SER 449 N 0.20 -0.17 -0.51 6.45 0.87 -0.87 -2.80 113.55 116.72 1frf h SER 449 Ca -0.13 -0.15 0.10 0.00 -1.23 0.00 0.00 61.79 60.37 1frf h SER 449 Cb 1.66 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 63.58 1frf h SER 449 CO 0.19 0.06 0.03 1.23 -0.53 0.00 0.00 176.83 177.80 1frf h GLY 450 N -0.39 0.55 1.11 5.77 0.00 -1.29 -0.67 103.07 108.15 1frf h GLY 450 Ca -0.02 0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.42 1frf h GLY 450 CO 0.03 -0.13 0.43 0.00 0.00 0.00 0.00 176.54 176.87 1frf h ALA 451 N 1.44 1.81 0.22 3.60 0.00 -1.46 -2.91 119.26 121.97 1frf h ALA 451 Ca 0.26 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.84 1frf h ALA 451 Cb 0.39 -0.15 0.04 0.00 0.00 0.00 0.00 17.79 18.06 1frf h ALA 451 CO -0.41 0.08 -1.37 -0.22 0.00 0.00 0.00 179.25 177.33 1frf h LYS 452 N 0.61 0.53 -1.99 0.00 1.63 -0.90 -3.46 116.57 112.99 1frf h LYS 452 Ca 0.28 -0.88 0.03 0.00 -0.85 0.00 0.00 60.65 59.24 1frf h LYS 452 Cb 0.32 0.32 -0.22 0.00 -0.60 0.00 0.00 32.23 32.05 1frf h LYS 452 CO -0.09 1.42 -0.21 0.34 -3.45 0.00 0.00 179.45 177.45 1frf s ASP 453 N -7.50 -0.92 -0.01 4.20 3.68 -0.43 -5.07 116.67 110.62 1frf s ASP 453 Ca -0.10 1.31 0.07 0.00 2.13 0.00 0.00 52.55 55.96 1frf s ASP 453 Cb 0.04 2.03 0.22 0.00 -1.45 0.00 0.00 42.92 43.76 1frf s ASP 453 CO 0.93 -0.23 1.13 -0.46 0.13 0.00 0.00 175.17 176.67 1frf n ASN 454 N 5.43 1.46 -4.56 -0.34 6.94 -1.16 -4.10 115.26 118.94 1frf n ASN 454 Ca -0.10 -2.05 -0.57 0.00 -0.02 0.00 0.00 54.58 51.85 1frf n ASN 454 Cb 0.49 -0.22 -0.08 0.00 -2.36 0.00 0.00 39.78 37.61 1frf n ASN 454 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1frf n THR 455 N 0.19 0.20 0.01 5.53 -1.04 -1.26 -4.84 114.28 113.06 1frf n THR 455 Ca 0.08 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1frf n THR 455 Cb 0.26 -1.16 -0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1frf n THR 455 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1frf n LEU 456 N 6.94 0.01 -3.80 -4.42 4.77 -1.26 -4.35 117.00 114.89 1frf n LEU 456 Ca 0.36 -0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 56.07 1frf n LEU 456 Cb 0.11 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.05 1frf n LEU 456 CO 0.82 0.00 -0.33 0.00 -1.33 0.00 0.00 177.39 176.55 1frf s ALA 458 N 0.75 3.65 0.25 0.00 0.00 -0.92 -4.94 121.76 120.55 1frf s ALA 458 Ca -0.06 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 50.89 1frf s ALA 458 Cb -0.09 -2.19 -0.08 0.00 0.00 0.00 0.00 23.12 20.76 1frf s ALA 458 CO -0.02 -0.03 0.74 0.15 0.00 0.00 0.00 175.76 176.60 1frf s LYS 459 N -4.28 4.23 0.29 0.00 1.02 -1.26 -4.70 119.74 115.05 1frf s LYS 459 Ca 0.41 0.87 -0.09 0.00 0.02 0.00 0.00 55.97 57.18 1frf s LYS 459 Cb -0.10 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1frf s LYS 459 CO 0.36 0.35 0.50 1.67 -0.92 0.00 0.00 175.35 177.31 1frf s TRP 460 N -1.61 0.59 -0.04 3.18 1.48 -1.26 -4.91 118.94 116.37 1frf s TRP 460 Ca 0.45 -0.94 -0.03 0.00 -1.06 0.00 0.00 56.10 54.53 1frf s TRP 460 Cb -0.16 0.15 0.02 0.00 -1.16 0.00 0.00 33.47 32.31 1frf s TRP 460 CO 0.20 -1.09 0.09 -1.83 -4.06 0.00 0.00 176.95 170.27 1frf s GLU 461 N -3.53 0.09 -0.04 3.25 -1.05 -1.26 -5.13 118.70 111.03 1frf s GLU 461 Ca 0.25 0.17 -0.30 0.00 -0.15 0.00 0.00 54.97 54.94 1frf s GLU 461 Cb -0.01 -0.01 -0.05 0.00 -0.44 0.00 0.00 34.13 33.62 1frf s GLU 461 CO 0.13 -0.05 1.51 -1.64 0.95 0.00 0.00 175.26 176.15 1frf s MET 462 N 0.32 4.23 0.37 -4.83 -1.94 -1.26 -4.87 119.30 111.32 1frf s MET 462 Ca -0.02 2.04 -0.19 0.00 -1.71 0.00 0.00 55.69 55.81 1frf s MET 462 Cb -0.03 -3.77 -0.10 0.00 2.01 0.00 0.00 34.83 32.94 1frf s MET 462 CO -0.01 -0.72 0.85 -2.14 -0.01 0.00 0.00 175.02 172.99 1frf s PRO 463 N 3.25 4.16 -0.02 2.03 0.02 -1.26 -5.01 135.00 138.16 1frf s PRO 463 Ca 0.67 0.94 -0.23 0.00 0.02 0.00 0.00 61.00 62.40 1frf s PRO 463 Cb -0.31 -2.34 -0.16 0.00 0.02 0.00 0.00 34.50 31.70 1frf s PRO 463 CO 0.26 0.08 1.09 1.49 -0.33 0.00 0.00 177.00 179.59 1frf h GLU 464 N 2.17 -0.29 -6.14 5.54 4.22 -1.93 -3.32 114.58 114.83 1frf h GLU 464 Ca -0.48 0.02 -0.59 0.00 0.08 0.00 0.00 59.36 58.38 1frf h GLU 464 Cb 1.18 0.07 -0.26 0.00 0.50 0.00 0.00 28.75 30.23 1frf h GLU 464 CO 0.63 0.09 -0.85 -1.21 -2.18 0.00 0.00 179.01 175.49 1frf s GLU 465 N -4.13 1.46 -0.07 1.92 2.02 -1.26 -0.84 118.70 117.80 1frf s GLU 465 Ca -0.14 -0.94 -0.31 0.00 0.02 0.00 0.00 54.97 53.61 1frf s GLU 465 Cb 0.01 -1.56 0.12 0.00 0.10 0.00 0.00 34.13 32.80 1frf s GLU 465 CO 0.53 0.40 1.36 -1.12 0.02 0.00 0.00 175.26 176.45 1frf s SER 466 N -1.11 -0.01 -0.09 -0.19 0.01 -0.15 -4.96 113.70 107.20 1frf s SER 466 Ca 0.08 -0.07 -0.27 0.00 1.31 0.00 0.00 55.95 56.99 1frf s SER 466 Cb -0.09 0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.27 1frf s SER 466 CO 0.02 -0.12 0.63 -1.59 0.41 0.00 0.00 173.24 172.59 1frf s LYS 467 N -2.07 0.95 0.25 12.44 -2.85 -1.26 0.26 119.74 127.46 1frf s LYS 467 Ca 0.24 0.35 -0.18 0.00 -1.00 0.00 0.00 55.97 55.39 1frf s LYS 467 Cb 0.03 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.26 1frf s LYS 467 CO -0.04 -0.26 0.59 0.20 0.10 0.00 0.00 175.35 175.94 1frf s GLY 468 N -0.87 0.11 -0.01 0.59 0.00 -0.04 -3.97 107.32 103.13 1frf s GLY 468 Ca -0.09 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.17 1frf s GLY 468 CO 0.07 -0.30 -0.02 0.54 0.00 0.00 0.00 173.10 173.39 1frf s VAL 469 N -3.94 0.22 -0.24 1.40 0.11 -1.25 0.29 120.40 116.98 1frf s VAL 469 Ca 0.14 -0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 59.08 1frf s VAL 469 Cb -0.03 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 1frf s VAL 469 CO 0.05 0.09 -0.00 -0.83 -3.33 0.00 0.00 175.10 171.08 1frf s GLY 470 N 0.27 1.67 0.02 6.54 0.00 0.29 -4.23 107.32 111.88 1frf s GLY 470 Ca -0.02 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 43.50 1frf s GLY 470 CO -0.01 0.49 0.02 1.08 0.00 0.00 0.00 173.10 174.68 1frf s LEU 471 N 1.50 3.57 -0.08 0.66 1.43 -1.26 -1.48 118.68 123.02 1frf s LEU 471 Ca 0.05 -0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 1frf s LEU 471 Cb -0.15 -2.12 0.10 0.00 0.03 0.00 0.00 46.19 44.05 1frf s LEU 471 CO -0.01 0.25 0.84 0.00 0.23 0.00 0.00 176.35 177.66 1frf s ALA 472 N -1.17 -1.84 -0.59 4.21 0.00 -0.35 -4.90 121.76 117.12 1frf s ALA 472 Ca 0.22 1.37 0.01 0.00 0.00 0.00 0.00 51.96 53.56 1frf s ALA 472 Cb -0.12 -0.23 0.15 0.00 0.00 0.00 0.00 23.12 22.92 1frf s ALA 472 CO 0.13 -0.39 0.37 -0.51 0.00 0.00 0.00 175.76 175.36 1frf s ASP 473 N -1.35 4.80 1.19 0.00 1.11 -1.20 -0.86 116.67 120.36 1frf s ASP 473 Ca -0.05 -3.00 -0.17 0.00 0.18 0.00 0.00 52.55 49.51 1frf s ASP 473 Cb -0.00 -1.75 0.28 0.00 1.07 0.00 0.00 42.92 42.52 1frf s ASP 473 CO 0.03 -0.29 1.06 0.00 1.18 0.00 0.00 175.17 177.16 1frf s ALA 474 N -0.28 0.24 0.63 5.23 0.00 -0.70 -4.78 121.76 122.10 1frf s ALA 474 Ca 0.18 -0.65 0.28 0.00 0.00 0.00 0.00 51.96 51.77 1frf s ALA 474 Cb -0.22 -3.01 1.49 0.00 0.00 0.00 0.00 23.12 21.38 1frf s ALA 474 CO -0.02 -3.65 1.87 -1.35 0.00 0.00 0.00 175.76 172.61 1frf h PRO 475 N -2.58 0.00 -0.01 0.00 0.11 -1.93 -1.86 132.00 125.72 1frf h PRO 475 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1frf h PRO 475 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1frf h PRO 475 CO 0.42 0.00 -0.29 0.54 -0.21 0.00 0.00 178.00 178.47 1frf n ARG 476 N -3.28 1.65 0.00 1.05 1.74 -1.26 -4.33 116.66 112.23 1frf n ARG 476 Ca 0.03 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 1frf n ARG 476 Cb 0.55 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 1frf n ARG 476 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1frf n GLY 477 N 1.11 0.85 3.56 -0.13 0.00 -0.70 -3.06 105.19 106.82 1frf n GLY 477 Ca 0.07 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 1frf n GLY 477 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1frf s SER 478 N -4.00 4.59 -0.15 1.61 0.15 -1.26 -1.73 113.70 112.91 1frf s SER 478 Ca 0.00 1.22 -0.03 0.00 0.70 0.00 0.00 55.95 57.84 1frf s SER 478 Cb 0.00 -2.50 -0.02 0.00 -1.71 0.00 0.00 66.02 61.78 1frf s SER 478 CO 0.00 -2.74 -0.05 -0.22 1.20 0.00 0.00 173.24 171.43 1frf s LEU 479 N 11.60 3.15 -0.02 3.45 2.96 -0.04 -2.97 118.68 136.81 1frf s LEU 479 Ca 0.98 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 1frf s LEU 479 Cb -0.20 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1frf s LEU 479 CO 0.27 0.17 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.52 1frf s SER 480 N 0.37 0.39 -0.20 3.68 1.04 -0.93 -1.21 113.70 116.85 1frf s SER 480 Ca -0.05 -0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 1frf s SER 480 Cb -0.14 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 65.82 1frf s SER 480 CO 0.03 -0.05 -0.14 -1.00 0.98 0.00 0.00 173.24 173.06 1frf s HIS 481 N 0.65 2.87 -0.12 5.02 3.76 -0.55 -1.89 115.29 125.02 1frf s HIS 481 Ca -0.06 -1.43 -0.03 0.00 -0.15 0.00 0.00 55.06 53.39 1frf s HIS 481 Cb -0.09 -1.99 -0.03 0.00 1.11 0.00 0.00 32.58 31.57 1frf s HIS 481 CO -0.01 -0.72 -0.03 -1.58 -0.85 0.00 0.00 174.74 171.55 1frf s TRP 482 N 1.35 3.06 0.05 1.40 0.52 0.12 -0.55 118.94 124.90 1frf s TRP 482 Ca 0.05 -0.08 0.04 0.00 0.02 0.00 0.00 56.10 56.13 1frf s TRP 482 Cb -0.14 -1.87 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 1frf s TRP 482 CO -0.09 0.18 -0.12 -1.50 0.02 0.00 0.00 176.95 175.44 1frf s ILE 483 N -0.19 0.93 -0.26 2.03 2.07 0.14 -1.17 121.20 124.74 1frf s ILE 483 Ca 0.04 -1.13 0.01 0.00 -1.41 0.00 0.00 60.65 58.15 1frf s ILE 483 Cb -0.13 -0.90 0.07 0.00 0.13 0.00 0.00 42.46 41.64 1frf s ILE 483 CO 0.02 -0.20 0.00 -0.13 -1.91 0.00 0.00 174.94 172.72 1frf s ARG 484 N -1.50 1.34 -0.08 3.50 1.81 -0.55 -0.86 118.95 122.61 1frf s ARG 484 Ca -0.03 -1.11 -0.18 0.00 -1.72 0.00 0.00 55.73 52.69 1frf s ARG 484 Cb -0.09 -2.53 -0.05 0.00 -0.45 0.00 0.00 34.95 31.83 1frf s ARG 484 CO 0.01 -0.74 0.47 0.42 -0.68 0.00 0.00 175.30 174.78 1frf s ILE 485 N 1.39 5.13 -0.10 1.52 1.01 0.14 -1.19 121.20 129.10 1frf s ILE 485 Ca 0.01 0.95 -0.05 0.00 0.00 0.00 0.00 60.65 61.55 1frf s ILE 485 Cb -0.18 -3.80 0.04 0.00 0.01 0.00 0.00 42.46 38.53 1frf s ILE 485 CO -0.11 0.39 0.24 -0.75 0.00 0.00 0.00 174.94 174.71 1frf s LYS 486 N 0.20 0.20 -0.22 2.79 2.36 -0.07 -0.98 119.74 124.03 1frf s LYS 486 Ca 0.26 0.50 0.00 0.00 -2.55 0.00 0.00 55.97 54.18 1frf s LYS 486 Cb -0.16 -0.11 0.00 0.00 -1.05 0.00 0.00 37.83 36.52 1frf s LYS 486 CO 0.11 -0.15 0.00 0.41 1.55 0.00 0.00 175.35 177.27 1frf n GLY 487 N 4.12 0.51 2.15 5.54 0.00 -0.02 -1.55 105.19 115.94 1frf n GLY 487 Ca -0.24 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 1frf n GLY 487 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1frf n LYS 488 N -2.02 -0.34 -4.46 1.61 4.81 -0.37 -4.98 118.16 112.41 1frf n LYS 488 Ca -0.02 0.53 -0.23 0.00 -0.87 0.00 0.00 58.31 57.72 1frf n LYS 488 Cb 0.18 -4.13 -0.09 0.00 0.02 0.00 0.00 35.03 31.01 1frf n LYS 488 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1frf s LYS 489 N -1.92 1.79 -0.37 1.64 -0.14 -0.59 -4.53 119.74 115.61 1frf s LYS 489 Ca 0.00 -2.05 -0.28 0.00 -1.36 0.00 0.00 55.97 52.27 1frf s LYS 489 Cb 0.00 -0.54 0.02 0.00 -1.68 0.00 0.00 37.83 35.63 1frf s LYS 489 CO 0.00 -0.41 1.06 0.42 -0.76 0.00 0.00 175.35 175.66 1frf s ILE 490 N -3.33 4.45 -0.16 2.17 1.01 0.14 -0.89 121.20 124.58 1frf s ILE 490 Ca 0.29 1.51 -0.02 0.00 0.00 0.00 0.00 60.65 62.43 1frf s ILE 490 Cb 0.04 -4.45 -0.23 0.00 0.01 0.00 0.00 42.46 37.84 1frf s ILE 490 CO 0.15 -0.62 0.19 -0.67 0.00 0.00 0.00 174.94 173.99 1frf n ASP 491 N 7.09 1.93 -3.71 3.58 2.03 -0.33 0.11 116.55 127.24 1frf n ASP 491 Ca 0.11 0.11 -0.12 0.00 0.52 0.00 0.00 54.79 55.40 1frf n ASP 491 Cb 0.48 -0.61 -0.10 0.00 -0.72 0.00 0.00 41.12 40.17 1frf n ASP 491 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1frf s ASN 492 N -6.77 -0.49 -0.18 1.67 2.47 -1.13 -4.81 114.94 105.70 1frf s ASN 492 Ca -0.25 0.91 -0.05 0.00 0.42 0.00 0.00 52.86 53.89 1frf s ASN 492 Cb 0.07 0.89 0.07 0.00 -1.45 0.00 0.00 41.25 40.83 1frf s ASN 492 CO 0.72 -0.16 0.12 0.12 -3.72 0.00 0.00 177.10 174.18 1frf s PHE 493 N 0.53 0.09 -0.07 0.43 2.19 -1.26 -1.48 117.98 118.41 1frf s PHE 493 Ca -0.02 -0.21 0.05 0.00 0.33 0.00 0.00 56.93 57.08 1frf s PHE 493 Cb -0.04 -0.62 -0.01 0.00 -1.31 0.00 0.00 43.02 41.04 1frf s PHE 493 CO -0.03 -0.54 -0.24 -0.65 1.83 0.00 0.00 175.22 175.59 1frf s GLN 494 N 2.18 2.62 -0.09 10.12 -1.52 -0.32 -4.64 119.66 128.01 1frf s GLN 494 Ca 0.03 -0.87 0.01 0.00 -1.95 0.00 0.00 55.36 52.58 1frf s GLN 494 Cb -0.16 -2.14 -0.03 0.00 -0.22 0.00 0.00 33.01 30.46 1frf s GLN 494 CO -0.10 0.31 -0.10 -0.51 -0.25 0.00 0.00 175.29 174.64 1frf s LEU 495 N -0.00 2.98 -0.32 2.90 1.43 -1.26 -0.70 118.68 123.70 1frf s LEU 495 Ca -0.08 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1frf s LEU 495 Cb -0.15 -1.65 0.09 0.00 0.03 0.00 0.00 46.19 44.51 1frf s LEU 495 CO 0.05 0.29 0.04 -0.69 0.23 0.00 0.00 176.35 176.27 1frf s VAL 496 N -0.39 1.88 0.08 -1.59 1.01 -0.79 -5.05 120.40 115.55 1frf s VAL 496 Ca 0.05 -1.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.07 1frf s VAL 496 Cb -0.12 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1frf s VAL 496 CO 0.02 -0.52 0.24 -0.69 0.00 0.00 0.00 175.10 174.15 1frf s VAL 497 N 1.13 5.35 0.26 2.92 1.01 -1.26 -2.19 120.40 127.62 1frf s VAL 497 Ca 0.07 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 1frf s VAL 497 Cb -0.19 -3.64 0.37 0.00 0.00 0.00 0.00 36.38 32.93 1frf s VAL 497 CO -0.11 0.11 1.56 -0.65 0.00 0.00 0.00 175.10 176.00 1frf h PRO 498 N 2.97 -0.00 0.00 2.72 0.11 -1.80 0.46 132.00 136.46 1frf h PRO 498 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1frf h PRO 498 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1frf h PRO 498 CO 0.75 -0.00 -0.04 0.77 -0.21 0.00 0.00 178.00 179.27 1frf h SER 499 N -0.00 0.00 -0.05 -2.05 0.02 -1.84 -1.47 113.55 108.16 1frf h SER 499 Ca 0.43 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.21 1frf h SER 499 Cb 0.67 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 1frf h SER 499 CO -1.01 0.04 -0.54 0.74 -1.14 0.00 0.00 176.83 174.92 1frf h THR 500 N 0.00 1.31 0.45 -2.27 2.02 -0.34 0.17 112.91 114.25 1frf h THR 500 Ca -0.00 -1.77 -0.02 0.00 0.77 0.00 0.00 66.41 65.39 1frf h THR 500 Cb 0.37 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1frf h THR 500 CO 0.00 0.56 -0.21 -0.50 0.37 0.00 0.00 175.52 175.74 1frf h TRP 501 N 0.49 -0.56 -0.37 3.16 4.06 -1.04 -2.08 115.95 119.62 1frf h TRP 501 Ca 0.01 -0.01 -0.16 0.00 2.06 0.00 0.00 58.89 60.79 1frf h TRP 501 Cb 1.09 0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 29.43 1frf h TRP 501 CO 0.05 -0.24 -0.38 -0.91 -3.56 0.00 0.00 178.44 173.40 1frf h ASN 502 N -0.86 0.98 -0.18 -3.49 2.35 -1.43 -3.38 115.58 109.59 1frf h ASN 502 Ca -0.06 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 1frf h ASN 502 Cb 0.57 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1frf h ASN 502 CO 0.10 1.25 0.00 0.18 -1.65 0.00 0.00 177.43 177.31 1frf n LEU 503 N -4.08 2.38 -4.61 1.61 4.32 0.58 -0.99 117.00 116.20 1frf n LEU 503 Ca -0.03 -1.81 -0.29 0.00 -0.02 0.00 0.00 56.01 53.86 1frf n LEU 503 Cb 0.54 -0.12 0.21 0.00 -1.62 0.00 0.00 43.42 42.44 1frf n LEU 503 CO 0.48 0.58 0.61 -0.83 -1.22 0.00 0.00 177.39 177.02 1frf s GLY 504 N -0.92 1.56 0.00 -0.72 0.00 -0.78 -4.80 107.32 101.66 1frf s GLY 504 Ca 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1frf s GLY 504 CO 0.09 0.19 0.00 -1.55 0.00 0.00 0.00 173.10 171.83 1frf n PRO 505 N -4.50 2.30 -2.52 2.90 -0.04 -1.26 -4.45 135.00 127.43 1frf n PRO 505 Ca 0.07 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.21 1frf n PRO 505 Cb 0.58 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.99 1frf n PRO 505 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1frf s ARG 506 N 0.00 4.01 0.44 0.54 0.52 -1.26 -3.99 118.95 119.21 1frf s ARG 506 Ca 0.00 0.98 -0.07 0.00 -0.52 0.00 0.00 55.73 56.12 1frf s ARG 506 Cb 0.00 -2.16 0.10 0.00 0.52 0.00 0.00 34.95 33.42 1frf s ARG 506 CO 0.00 -0.20 0.56 0.41 0.02 0.00 0.00 175.30 176.08 1frf n GLY 507 N -1.33 -1.51 0.14 -3.53 0.00 -0.84 -4.17 105.19 93.95 1frf n GLY 507 Ca 0.07 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.56 1frf n GLY 507 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1frf h PRO 508 N 0.00 0.00 -0.01 1.61 0.13 -1.93 -1.77 132.00 130.04 1frf h PRO 508 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1frf h PRO 508 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1frf h PRO 508 CO 0.13 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 178.94 1frf n GLN 509 N -2.37 1.04 -0.96 0.86 6.02 -1.26 -4.85 117.38 115.86 1frf n GLN 509 Ca 0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1frf n GLN 509 Cb 0.30 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.23 1frf n GLN 509 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1frf n GLY 510 N 0.85 0.51 3.70 1.08 0.00 -0.66 -4.97 105.19 105.68 1frf n GLY 510 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1frf n GLY 510 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1frf s ASP 511 N -2.25 7.13 0.91 1.61 3.84 -1.26 -4.80 116.67 121.86 1frf s ASP 511 Ca 0.00 1.80 -0.10 0.00 -0.00 0.00 0.00 52.55 54.24 1frf s ASP 511 Cb 0.00 -2.56 0.15 0.00 -1.38 0.00 0.00 42.92 39.12 1frf s ASP 511 CO 0.00 -0.49 1.15 0.29 -0.00 0.00 0.00 175.17 176.12 1frf n LYS 512 N 4.68 -0.43 -2.51 2.11 5.02 -1.26 -1.99 118.16 123.79 1frf n LYS 512 Ca 0.09 -0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.09 1frf n LYS 512 Cb 0.47 -2.38 0.10 0.00 -0.02 0.00 0.00 35.03 33.19 1frf n LYS 512 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1frf s SER 513 N -2.60 4.49 0.20 4.39 1.04 -1.26 -4.79 113.70 115.16 1frf s SER 513 Ca 0.67 -0.16 -0.11 0.00 0.48 0.00 0.00 55.95 56.83 1frf s SER 513 Cb -0.23 -0.32 0.22 0.00 0.10 0.00 0.00 66.02 65.78 1frf s SER 513 CO 0.58 -1.75 1.75 -0.65 0.98 0.00 0.00 173.24 174.14 1frf h PRO 514 N -0.50 0.37 -0.48 4.02 0.11 -1.72 -1.62 132.00 132.19 1frf h PRO 514 Ca -0.39 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 1frf h PRO 514 Cb 1.28 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1frf h PRO 514 CO 0.45 0.25 0.11 -0.24 -0.21 0.00 0.00 178.00 178.36 1frf h VAL 515 N 0.38 1.24 -0.44 3.15 3.04 -1.40 0.62 116.25 122.84 1frf h VAL 515 Ca 0.27 -0.84 -0.03 0.00 -1.01 0.00 0.00 66.70 65.10 1frf h VAL 515 Cb 0.31 0.87 -0.02 0.00 -2.01 0.00 0.00 31.29 30.44 1frf h VAL 515 CO -0.27 0.30 0.16 -0.33 -1.01 0.00 0.00 177.57 176.42 1frf h GLU 516 N 0.65 0.63 -0.09 4.17 5.08 -1.77 -1.28 114.58 121.96 1frf h GLU 516 Ca 0.15 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 1frf h GLU 516 Cb 0.33 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1frf h GLU 516 CO 0.00 0.53 -0.69 1.49 -1.00 0.00 0.00 179.01 179.35 1frf h GLU 517 N 0.63 0.63 0.00 2.33 4.57 -0.94 -3.23 114.58 118.57 1frf h GLU 517 Ca 0.15 -0.56 -0.04 0.00 -1.18 0.00 0.00 59.36 57.74 1frf h GLU 517 Cb 0.15 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1frf h GLU 517 CO -0.01 1.17 -0.17 0.00 -1.18 0.00 0.00 179.01 178.82 1frf h ALA 518 N 0.47 1.26 0.00 2.92 0.00 -0.60 -2.88 119.26 120.43 1frf h ALA 518 Ca -0.06 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1frf h ALA 518 Cb 1.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1frf h ALA 518 CO 0.14 0.21 -0.61 -0.07 0.00 0.00 0.00 179.25 178.92 1frf h LEU 519 N 0.00 0.00 -9.52 0.00 3.38 -1.26 -3.31 115.31 104.60 1frf h LEU 519 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1frf h LEU 519 Cb 0.45 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.23 1frf h LEU 519 CO 0.02 0.61 0.89 -0.63 0.09 0.00 0.00 178.44 179.43 1frf s ILE 520 N -3.22 2.96 0.00 1.22 -1.09 -1.09 -2.10 121.20 117.89 1frf s ILE 520 Ca 0.01 0.59 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 1frf s ILE 520 Cb 0.10 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 1frf s ILE 520 CO 0.75 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 175.10 1frf n GLY 521 N 3.79 0.71 3.70 6.18 0.00 0.20 -4.74 105.19 115.03 1frf n GLY 521 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1frf n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1frf s THR 522 N -2.34 4.13 0.02 2.61 2.01 -0.89 -4.65 115.64 116.53 1frf s THR 522 Ca 0.00 1.49 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 1frf s THR 522 Cb 0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1frf s THR 522 CO 0.00 0.03 0.92 -2.16 -0.69 0.00 0.00 174.62 172.73 1frf s PRO 523 N 1.88 4.57 -0.46 4.92 0.04 -1.26 0.28 135.00 144.97 1frf s PRO 523 Ca 0.58 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 1frf s PRO 523 Cb -0.27 -3.43 0.12 0.00 0.04 0.00 0.00 34.50 30.96 1frf s PRO 523 CO 0.25 0.05 0.27 0.42 0.04 0.00 0.00 177.00 178.03 1frf s ILE 524 N 0.67 3.46 0.30 0.56 -1.09 0.19 -4.69 121.20 120.59 1frf s ILE 524 Ca 0.48 -2.22 -0.00 0.00 -2.23 0.00 0.00 60.65 56.67 1frf s ILE 524 Cb -0.21 -3.34 0.18 0.00 -1.58 0.00 0.00 42.46 37.51 1frf s ILE 524 CO 0.27 -0.74 1.87 0.00 -1.23 0.00 0.00 174.94 175.10 1frf h ALA 525 N 7.87 1.29 -2.05 9.38 0.00 -1.85 0.25 119.26 134.15 1frf h ALA 525 Ca -0.11 -0.17 -0.29 0.00 0.00 0.00 0.00 54.91 54.33 1frf h ALA 525 Cb 1.03 -0.22 -0.32 0.00 0.00 0.00 0.00 17.79 18.28 1frf h ALA 525 CO 0.72 0.51 -0.61 0.34 0.00 0.00 0.00 179.25 180.21 1frf s ASP 526 N -6.57 1.32 0.60 0.00 2.15 -1.26 -3.66 116.67 109.25 1frf s ASP 526 Ca -0.10 -0.61 0.28 0.00 0.43 0.00 0.00 52.55 52.55 1frf s ASP 526 Cb 0.16 0.66 1.41 0.00 -0.30 0.00 0.00 42.92 44.85 1frf s ASP 526 CO 0.79 -0.38 1.81 1.55 -0.17 0.00 0.00 175.17 178.78 1frf h PRO 527 N 8.24 0.00 0.00 4.34 0.13 -2.00 0.76 132.00 143.46 1frf h PRO 527 Ca -0.13 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.84 1frf h PRO 527 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1frf h PRO 527 CO 0.32 0.00 -0.78 -0.22 -0.23 0.00 0.00 178.00 177.09 1frf h LYS 528 N 0.00 0.00 -2.37 0.86 3.11 -1.98 -3.36 116.57 112.83 1frf h LYS 528 Ca 0.22 0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 57.47 1frf h LYS 528 Cb 1.34 0.00 -0.39 0.00 -1.00 0.00 0.00 32.23 32.17 1frf h LYS 528 CO -0.00 0.78 -0.90 0.54 -2.81 0.00 0.00 179.45 177.05 1frf n ARG 529 N -3.57 0.86 -1.06 1.90 1.74 0.24 -5.05 116.66 111.72 1frf n ARG 529 Ca -0.01 -3.58 -0.32 0.00 -0.77 0.00 0.00 57.85 53.18 1frf n ARG 529 Cb 0.76 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 1frf n ARG 529 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1frf n PRO 530 N 2.09 2.55 -0.07 5.56 -0.04 -1.13 -4.59 135.00 139.37 1frf n PRO 530 Ca 0.26 -1.84 0.17 0.00 -0.04 0.00 0.00 63.50 62.05 1frf n PRO 530 Cb 0.46 -2.70 0.59 0.00 -0.04 0.00 0.00 33.50 31.81 1frf n PRO 530 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1frf h VAL 531 N 3.51 0.78 -0.75 0.52 3.04 -1.96 -1.74 116.25 119.65 1frf h VAL 531 Ca 0.60 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 66.21 1frf h VAL 531 Cb 0.31 0.54 -0.04 0.00 -2.01 0.00 0.00 31.29 30.10 1frf h VAL 531 CO 1.66 0.04 0.44 -0.33 -1.01 0.00 0.00 177.57 178.37 1frf h GLU 532 N 0.22 1.03 -0.50 4.17 3.07 -1.86 0.49 114.58 121.21 1frf h GLU 532 Ca 0.30 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1frf h GLU 532 Cb 0.87 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 1frf h GLU 532 CO -0.06 0.74 0.33 0.82 -1.40 0.00 0.00 179.01 179.45 1frf h ILE 533 N 1.03 1.13 -0.39 3.13 2.04 -1.63 -2.58 117.51 120.26 1frf h ILE 533 Ca 0.27 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 1frf h ILE 533 Cb -0.01 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1frf h ILE 533 CO -0.05 0.13 -0.14 -0.07 0.00 0.00 0.00 178.15 178.03 1frf h LEU 534 N 0.68 0.69 -0.09 1.44 4.07 -1.37 -1.86 115.31 118.86 1frf h LEU 534 Ca 0.18 -0.21 0.02 0.00 0.08 0.00 0.00 57.88 57.96 1frf h LEU 534 Cb -0.07 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.46 1frf h LEU 534 CO -0.04 0.85 -0.05 0.03 -1.08 0.00 0.00 178.44 178.15 1frf h ARG 535 N 0.63 -0.04 0.22 1.13 3.08 -0.54 0.31 114.38 119.17 1frf h ARG 535 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1frf h ARG 535 Cb 0.59 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1frf h ARG 535 CO 0.04 -0.03 -0.11 1.15 -1.07 0.00 0.00 179.97 179.95 1frf h THR 536 N -0.05 0.85 -0.70 2.04 2.02 -1.44 -2.46 112.91 113.18 1frf h THR 536 Ca 0.06 -0.51 0.11 0.00 0.77 0.00 0.00 66.41 66.83 1frf h THR 536 Cb 0.13 1.15 -0.08 0.00 -1.74 0.00 0.00 68.15 67.61 1frf h THR 536 CO -0.12 0.11 0.31 0.58 0.37 0.00 0.00 175.52 176.77 1frf h VAL 537 N -0.56 0.77 0.00 3.16 2.07 -1.21 -1.89 116.25 118.58 1frf h VAL 537 Ca -0.03 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1frf h VAL 537 Cb 0.42 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1frf h VAL 537 CO 0.05 0.09 -0.19 0.45 0.02 0.00 0.00 177.57 177.99 1frf h HIS 538 N 0.51 0.00 0.00 1.57 3.86 -0.40 -3.00 115.15 117.68 1frf h HIS 538 Ca 0.36 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.53 1frf h HIS 538 Cb 0.45 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1frf h HIS 538 CO -0.14 0.19 -0.19 0.00 0.86 0.00 0.00 177.93 178.65 1frf h ALA 539 N 1.81 1.66 0.00 2.45 0.00 -0.84 -0.70 119.26 123.63 1frf h ALA 539 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1frf h ALA 539 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1frf h ALA 539 CO 0.03 0.24 0.00 1.19 0.00 0.00 0.00 179.25 180.71 1frf n PHE 540 N -4.27 0.42 -3.40 0.00 3.01 -1.13 -4.56 117.46 107.52 1frf n PHE 540 Ca -0.02 0.13 -0.17 0.00 1.01 0.00 0.00 57.45 58.39 1frf n PHE 540 Cb 0.26 -0.71 0.04 0.00 -0.01 0.00 0.00 39.48 39.05 1frf n PHE 540 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1frf n ASP 541 N -1.85 -6.35 -4.76 4.37 -0.08 -0.27 -4.88 116.55 102.72 1frf n ASP 541 Ca 0.05 -0.67 -0.41 0.00 -1.51 0.00 0.00 54.79 52.26 1frf n ASP 541 Cb 0.34 -4.27 -0.02 0.00 2.34 0.00 0.00 41.12 39.50 1frf n ASP 541 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1frf s PRO 542 N -4.60 4.33 -0.32 -0.67 0.02 -1.26 -4.95 135.00 127.56 1frf s PRO 542 Ca 0.30 2.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.52 1frf s PRO 542 Cb -0.07 -3.09 0.11 0.00 0.02 0.00 0.00 34.50 31.47 1frf s PRO 542 CO 0.80 -0.25 0.15 0.00 -0.33 0.00 0.00 177.00 177.37 1frf h ILE 544 N 5.97 1.21 -0.26 0.00 1.08 -1.48 -0.60 117.51 123.43 1frf h ILE 544 Ca -0.11 -1.44 -0.10 0.00 -0.39 0.00 0.00 64.86 62.83 1frf h ILE 544 Cb 0.99 1.79 -0.00 0.00 -3.07 0.00 0.00 36.82 36.53 1frf h ILE 544 CO 0.40 0.40 -0.23 0.00 -0.69 0.00 0.00 178.15 178.03 1frf h ALA 545 N 1.59 0.38 -0.19 1.87 0.00 -1.81 -0.51 119.26 120.58 1frf h ALA 545 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1frf h ALA 545 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1frf h ALA 545 CO 0.05 0.34 0.10 0.00 0.00 0.00 0.00 179.25 179.74 1frf h GLY 547 N 0.19 0.63 0.60 0.00 0.00 -0.91 -3.36 103.07 100.23 1frf h GLY 547 Ca 0.07 -0.31 -0.35 0.00 0.00 0.00 0.00 47.33 46.74 1frf h GLY 547 CO -0.01 0.29 -1.88 -2.08 0.00 0.00 0.00 176.54 172.87 1frf h VAL 548 N 0.53 0.71 0.00 4.60 2.07 -1.08 -3.42 116.25 119.65 1frf h VAL 548 Ca 0.14 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1frf h VAL 548 Cb 0.11 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1frf h VAL 548 CO -0.02 0.84 0.00 0.00 0.02 0.00 0.00 177.57 178.41