#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vlf n GLY 2 N 0.00 1.83 4.00 3.03 0.00 -1.26 -5.02 105.19 107.77 1vlf n GLY 2 Ca 0.00 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 1vlf n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vlf s GLU 3 N 0.40 2.28 -0.07 1.61 0.41 -1.26 -4.81 118.70 117.26 1vlf s GLU 3 Ca 0.00 -1.16 -0.18 0.00 -0.41 0.00 0.00 54.97 53.22 1vlf s GLU 3 Cb 0.00 -2.53 -0.05 0.00 -1.78 0.00 0.00 34.13 29.78 1vlf s GLU 3 CO 0.00 -0.89 0.49 0.08 -0.49 0.00 0.00 175.26 174.45 1vlf s VAL 4 N -2.78 5.09 -0.03 2.63 1.01 -1.26 -4.38 120.40 120.68 1vlf s VAL 4 Ca 0.61 1.00 0.06 0.00 0.00 0.00 0.00 61.98 63.65 1vlf s VAL 4 Cb -0.08 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1vlf s VAL 4 CO 0.39 0.40 -0.21 -0.69 0.00 0.00 0.00 175.10 174.99 1vlf s VAL 5 N 0.07 2.45 -0.37 2.92 1.01 0.48 -4.94 120.40 122.02 1vlf s VAL 5 Ca 0.27 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 1vlf s VAL 5 Cb -0.16 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1vlf s VAL 5 CO 0.13 0.57 0.32 -0.60 0.00 0.00 0.00 175.10 175.51 1vlf s ARG 6 N -0.71 3.29 0.56 2.72 3.52 -1.26 -0.69 118.95 126.38 1vlf s ARG 6 Ca 0.11 -0.72 0.05 0.00 -0.13 0.00 0.00 55.73 55.04 1vlf s ARG 6 Cb -0.10 -3.88 0.05 0.00 -1.56 0.00 0.00 34.95 29.45 1vlf s ARG 6 CO -0.00 -0.62 0.44 -0.51 -0.81 0.00 0.00 175.30 173.79 1vlf s LEU 7 N 1.85 2.66 0.11 -0.88 1.43 0.22 -4.89 118.68 119.18 1vlf s LEU 7 Ca 0.08 -1.27 0.08 0.00 -1.03 0.00 0.00 54.13 51.99 1vlf s LEU 7 Cb -0.18 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1vlf s LEU 7 CO 0.11 -1.17 -0.20 0.42 0.23 0.00 0.00 176.35 175.74 1vlf s THR 8 N -2.79 1.67 0.16 5.49 -4.23 -1.26 -0.05 115.64 114.63 1vlf s THR 8 Ca 0.34 -1.56 -0.18 0.00 -1.18 0.00 0.00 61.69 59.11 1vlf s THR 8 Cb -0.03 -1.55 0.06 0.00 1.34 0.00 0.00 72.50 72.33 1vlf s THR 8 CO 0.22 -0.10 0.86 -3.20 -0.54 0.00 0.00 174.62 171.86 1vlf n ASN 9 N 1.02 -1.47 -1.91 3.99 2.85 -0.89 -1.15 115.26 117.69 1vlf n ASN 9 Ca -0.19 -1.78 -0.07 0.00 -0.11 0.00 0.00 54.58 52.43 1vlf n ASN 9 Cb 0.54 2.40 -0.02 0.00 1.24 0.00 0.00 39.78 43.94 1vlf n ASN 9 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1vlf n SER 10 N -1.19 -0.60 -3.39 1.20 2.88 -1.26 -0.92 113.62 110.34 1vlf n SER 10 Ca -0.02 -1.87 -0.04 0.00 -1.33 0.00 0.00 58.87 55.61 1vlf n SER 10 Cb 0.49 1.13 0.01 0.00 -0.75 0.00 0.00 64.21 65.10 1vlf n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1vlf s SER 11 N -1.99 -0.03 0.00 -3.46 1.04 -1.09 -4.79 113.70 103.38 1vlf s SER 11 Ca 0.14 -0.68 0.16 0.00 0.48 0.00 0.00 55.95 56.05 1vlf s SER 11 Cb -0.00 0.54 0.96 0.00 0.10 0.00 0.00 66.02 67.61 1vlf s SER 11 CO 0.10 -1.05 1.38 0.35 0.98 0.00 0.00 173.24 174.99 1vlf n THR 12 N -0.64 0.02 -0.25 2.02 -2.24 -1.26 -1.86 114.28 110.07 1vlf n THR 12 Ca -0.04 0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.78 1vlf n THR 12 Cb 0.60 -0.75 0.08 0.00 -2.10 0.00 0.00 70.33 68.16 1vlf n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vlf n GLY 13 N 0.01 3.24 0.00 3.38 0.00 -1.26 -3.87 105.19 106.69 1vlf n GLY 13 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1vlf n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vlf n GLY 14 N -0.32 2.92 3.75 -0.02 0.00 -0.78 -1.61 105.19 109.13 1vlf n GLY 14 Ca 0.07 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 1vlf n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1vlf s PRO 15 N -3.13 2.51 0.05 1.61 0.02 -1.26 -2.66 135.00 132.15 1vlf s PRO 15 Ca 0.00 1.48 -0.11 0.00 0.02 0.00 0.00 61.00 62.39 1vlf s PRO 15 Cb 0.00 -1.91 0.01 0.00 0.02 0.00 0.00 34.50 32.62 1vlf s PRO 15 CO 0.00 -1.49 0.24 0.14 -0.33 0.00 0.00 177.00 175.56 1vlf s VAL 16 N -2.30 0.11 -0.17 3.83 -7.23 -0.10 -4.46 120.40 110.09 1vlf s VAL 16 Ca 0.68 -0.87 -0.12 0.00 -1.81 0.00 0.00 61.98 59.86 1vlf s VAL 16 Cb -0.23 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 1vlf s VAL 16 CO 0.44 -0.48 0.24 -0.36 -0.31 0.00 0.00 175.10 174.63 1vlf s PHE 17 N -2.87 3.45 -0.21 2.82 2.99 -0.30 -2.10 117.98 121.77 1vlf s PHE 17 Ca -0.03 0.52 -0.02 0.00 0.00 0.00 0.00 56.93 57.41 1vlf s PHE 17 Cb 0.00 -2.28 0.01 0.00 0.00 0.00 0.00 43.02 40.76 1vlf s PHE 17 CO -0.05 0.27 -0.11 0.08 -0.00 0.00 0.00 175.22 175.41 1vlf s VAL 18 N 0.37 2.77 -0.25 -0.44 1.01 0.93 -1.81 120.40 122.98 1vlf s VAL 18 Ca 0.14 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 1vlf s VAL 18 Cb -0.12 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1vlf s VAL 18 CO 0.02 0.44 0.46 -0.31 0.00 0.00 0.00 175.10 175.72 1vlf s TYR 19 N 1.38 3.28 0.05 5.22 1.51 -0.76 0.73 117.35 128.75 1vlf s TYR 19 Ca 0.05 0.57 0.09 0.00 -1.01 0.00 0.00 57.07 56.77 1vlf s TYR 19 Cb -0.14 -2.65 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1vlf s TYR 19 CO -0.07 -0.23 -0.26 0.08 -1.11 0.00 0.00 175.55 173.96 1vlf s VAL 20 N 2.11 2.07 -0.11 0.71 1.01 0.14 -0.07 120.40 126.25 1vlf s VAL 20 Ca 0.19 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.77 1vlf s VAL 20 Cb -0.16 -1.78 0.06 0.00 0.00 0.00 0.00 36.38 34.51 1vlf s VAL 20 CO 0.09 0.34 0.19 -0.75 0.00 0.00 0.00 175.10 174.98 1vlf s LYS 21 N -1.23 0.08 -1.24 2.72 2.20 -0.18 -0.39 119.74 121.70 1vlf s LYS 21 Ca 0.11 0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 56.25 1vlf s LYS 21 Cb -0.10 -0.37 -0.01 0.00 -1.51 0.00 0.00 37.83 35.84 1vlf s LYS 21 CO 0.02 -0.36 0.80 -0.25 -0.36 0.00 0.00 175.35 175.20 1vlf n ASP 22 N 5.33 -2.20 -0.74 1.43 8.00 -1.26 -2.21 116.55 124.90 1vlf n ASP 22 Ca -0.05 -0.78 -0.10 0.00 0.71 0.00 0.00 54.79 54.58 1vlf n ASP 22 Cb 0.50 -4.37 -0.04 0.00 -0.02 0.00 0.00 41.12 37.18 1vlf n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vlf n GLY 23 N -1.44 1.04 3.08 0.44 0.00 -1.26 -4.97 105.19 102.08 1vlf n GLY 23 Ca -0.26 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 1vlf n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vlf s LYS 24 N -2.60 1.26 -0.11 1.61 2.20 -0.94 -4.68 119.74 116.48 1vlf s LYS 24 Ca 0.00 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 1vlf s LYS 24 Cb 0.00 -1.16 -0.02 0.00 -1.51 0.00 0.00 37.83 35.14 1vlf s LYS 24 CO 0.00 0.22 1.13 0.42 -0.36 0.00 0.00 175.35 176.76 1vlf s ILE 25 N -0.05 4.48 -0.18 5.43 1.01 -1.26 -1.01 121.20 129.62 1vlf s ILE 25 Ca -0.00 1.78 -0.18 0.00 0.00 0.00 0.00 60.65 62.25 1vlf s ILE 25 Cb -0.08 -4.14 -0.21 0.00 0.01 0.00 0.00 42.46 38.03 1vlf s ILE 25 CO 0.01 -0.04 0.28 0.40 0.00 0.00 0.00 174.94 175.58 1vlf h ILE 26 N 5.15 0.86 -3.01 2.92 2.04 -0.85 -3.48 117.51 121.13 1vlf h ILE 26 Ca -0.30 -2.23 0.01 0.00 1.00 0.00 0.00 64.86 63.34 1vlf h ILE 26 Cb 1.14 2.33 -0.09 0.00 -0.74 0.00 0.00 36.82 39.45 1vlf h ILE 26 CO 0.90 0.48 0.21 0.00 0.00 0.00 0.00 178.15 179.74 1vlf s ARG 27 N -2.42 1.46 -0.02 2.37 1.70 -1.20 -5.02 118.95 115.82 1vlf s ARG 27 Ca -0.27 -0.67 0.03 0.00 -0.47 0.00 0.00 55.73 54.35 1vlf s ARG 27 Cb 0.06 0.59 0.00 0.00 -0.57 0.00 0.00 34.95 35.03 1vlf s ARG 27 CO 0.65 -0.65 -0.10 -1.64 -1.08 0.00 0.00 175.30 172.47 1vlf s MET 28 N -3.81 1.03 0.18 3.89 -1.94 -1.26 -1.82 119.30 115.56 1vlf s MET 28 Ca 0.05 -0.35 -0.05 0.00 -1.71 0.00 0.00 55.69 53.63 1vlf s MET 28 Cb -0.03 -0.95 -0.03 0.00 2.01 0.00 0.00 34.83 35.83 1vlf s MET 28 CO -0.06 0.15 0.20 0.95 -0.01 0.00 0.00 175.02 176.25 1vlf s THR 29 N 0.10 0.05 1.01 2.05 -4.23 -0.75 -4.96 115.64 108.90 1vlf s THR 29 Ca -0.02 -1.74 -0.12 0.00 -1.18 0.00 0.00 61.69 58.63 1vlf s THR 29 Cb -0.08 -2.17 0.19 0.00 1.34 0.00 0.00 72.50 71.79 1vlf s THR 29 CO 0.00 -0.21 1.09 -2.84 -0.54 0.00 0.00 174.62 172.13 1vlf s PRO 30 N -4.06 0.34 -0.19 3.99 0.02 -1.26 -1.15 135.00 132.69 1vlf s PRO 30 Ca 0.27 0.56 -0.06 0.00 0.02 0.00 0.00 61.00 61.79 1vlf s PRO 30 Cb 0.05 -1.72 -0.03 0.00 0.02 0.00 0.00 34.50 32.82 1vlf s PRO 30 CO 0.06 -2.80 0.02 -1.64 -0.33 0.00 0.00 177.00 172.31 1vlf s MET 31 N -4.92 3.74 0.03 5.54 -1.94 -1.26 -4.46 119.30 116.03 1vlf s MET 31 Ca 0.65 -0.46 -0.20 0.00 -1.71 0.00 0.00 55.69 53.98 1vlf s MET 31 Cb -0.19 -3.12 -0.06 0.00 2.01 0.00 0.00 34.83 33.47 1vlf s MET 31 CO 0.58 0.11 0.57 -0.51 -0.01 0.00 0.00 175.02 175.76 1vlf s ASP 32 N 0.77 7.00 0.37 3.03 1.11 -1.26 -1.57 116.67 126.12 1vlf s ASP 32 Ca 0.01 1.19 -0.15 0.00 0.18 0.00 0.00 52.55 53.78 1vlf s ASP 32 Cb -0.14 -2.35 -0.09 0.00 1.07 0.00 0.00 42.92 41.41 1vlf s ASP 32 CO 0.02 0.20 0.80 -0.36 1.18 0.00 0.00 175.17 177.00 1vlf s PHE 33 N -0.66 3.39 -0.44 4.23 2.99 -0.81 -5.00 117.98 121.69 1vlf s PHE 33 Ca 0.29 1.26 -0.08 0.00 0.00 0.00 0.00 56.93 58.40 1vlf s PHE 33 Cb -0.19 -2.59 0.10 0.00 0.00 0.00 0.00 43.02 40.35 1vlf s PHE 33 CO 0.18 -0.02 0.28 0.34 -0.00 0.00 0.00 175.22 176.00 1vlf s ASP 34 N -2.51 5.61 0.06 1.36 2.15 -1.26 -4.96 116.67 117.12 1vlf s ASP 34 Ca 0.55 -1.73 0.03 0.00 0.43 0.00 0.00 52.55 51.84 1vlf s ASP 34 Cb -0.10 -1.98 0.17 0.00 -0.30 0.00 0.00 42.92 40.71 1vlf s ASP 34 CO 0.21 -0.60 0.98 0.47 -0.17 0.00 0.00 175.17 176.06 1vlf n ASP 35 N 4.87 0.08 0.13 -0.34 8.00 -1.26 0.10 116.55 128.12 1vlf n ASP 35 Ca -0.08 0.43 0.06 0.00 0.71 0.00 0.00 54.79 55.90 1vlf n ASP 35 Cb 0.42 -0.42 0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1vlf n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vlf h ALA 36 N 1.51 0.71 0.00 2.24 0.00 -2.01 -3.39 119.26 118.31 1vlf h ALA 36 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1vlf h ALA 36 Cb 0.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1vlf h ALA 36 CO 0.00 0.41 -0.34 1.33 0.00 0.00 0.00 179.25 180.65 1vlf n VAL 37 N -3.00 0.00 -3.80 0.00 0.24 0.40 -5.04 118.33 107.12 1vlf n VAL 37 Ca -0.01 -0.14 -0.35 0.00 -2.04 0.00 0.00 64.34 61.80 1vlf n VAL 37 Cb 0.67 0.62 -0.09 0.00 -1.47 0.00 0.00 33.84 33.57 1vlf n VAL 37 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1vlf s ASP 38 N -0.96 5.89 0.40 -1.34 1.01 0.11 -4.97 116.67 116.81 1vlf s ASP 38 Ca 0.00 0.10 -0.24 0.00 0.71 0.00 0.00 52.55 53.12 1vlf s ASP 38 Cb 0.00 -2.04 -0.12 0.00 1.01 0.00 0.00 42.92 41.78 1vlf s ASP 38 CO 0.00 0.12 0.85 0.00 0.21 0.00 0.00 175.17 176.35 1vlf n ALA 39 N 3.91 -0.47 -1.22 5.23 0.00 -1.26 -4.58 120.51 122.13 1vlf n ALA 39 Ca -0.16 0.23 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 1vlf n ALA 39 Cb 0.52 -1.97 0.12 0.00 0.00 0.00 0.00 19.45 18.12 1vlf n ALA 39 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vlf n PRO 40 N 0.34 0.35 -2.23 0.00 -0.02 -1.26 -4.95 135.00 127.23 1vlf n PRO 40 Ca 0.10 0.19 -0.26 0.00 -2.02 0.00 0.00 63.50 61.52 1vlf n PRO 40 Cb 0.38 -2.44 0.06 0.00 -0.02 0.00 0.00 33.50 31.49 1vlf n PRO 40 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1vlf s SER 41 N -1.97 4.95 0.81 2.55 0.01 -1.26 -4.16 113.70 114.63 1vlf s SER 41 Ca 0.75 0.50 -0.12 0.00 1.31 0.00 0.00 55.95 58.39 1vlf s SER 41 Cb -0.31 -1.20 0.08 0.00 0.21 0.00 0.00 66.02 64.80 1vlf s SER 41 CO 0.49 -1.51 1.11 -1.66 0.41 0.00 0.00 173.24 172.09 1vlf s TRP 42 N -3.20 2.85 0.02 2.43 1.48 -1.26 -4.93 118.94 116.32 1vlf s TRP 42 Ca 0.59 1.03 0.00 0.00 -1.06 0.00 0.00 56.10 56.66 1vlf s TRP 42 Cb -0.11 -3.21 -0.01 0.00 -1.16 0.00 0.00 33.47 28.98 1vlf s TRP 42 CO 0.45 -1.81 -0.03 0.15 -4.06 0.00 0.00 176.95 171.64 1vlf s LYS 43 N -5.26 0.28 -0.08 3.25 1.02 -1.26 -4.43 119.74 113.26 1vlf s LYS 43 Ca 0.61 -0.46 0.01 0.00 0.02 0.00 0.00 55.97 56.15 1vlf s LYS 43 Cb -0.14 -0.02 0.02 0.00 -0.52 0.00 0.00 37.83 37.18 1vlf s LYS 43 CO 0.53 -0.01 -0.09 0.42 -0.92 0.00 0.00 175.35 175.28 1vlf s ILE 44 N -1.00 0.96 -0.28 2.17 1.01 0.26 -4.97 121.20 119.36 1vlf s ILE 44 Ca -0.10 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 1vlf s ILE 44 Cb -0.07 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 1vlf s ILE 44 CO -0.00 0.33 0.16 -1.61 0.00 0.00 0.00 174.94 173.82 1vlf s GLU 45 N 1.17 3.84 -0.14 2.79 8.01 -1.26 -0.09 118.70 133.01 1vlf s GLU 45 Ca -0.06 -0.39 -0.09 0.00 0.01 0.00 0.00 54.97 54.44 1vlf s GLU 45 Cb -0.14 -3.57 0.05 0.00 -4.31 0.00 0.00 34.13 26.15 1vlf s GLU 45 CO -0.02 -0.20 0.36 0.00 0.01 0.00 0.00 175.26 175.41 1vlf s ALA 46 N 1.72 -0.89 -1.38 5.21 0.00 -0.57 -4.95 121.76 120.90 1vlf s ALA 46 Ca 0.07 1.24 -0.05 0.00 0.00 0.00 0.00 51.96 53.22 1vlf s ALA 46 Cb -0.16 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1vlf s ALA 46 CO 0.09 -0.22 0.43 0.54 0.00 0.00 0.00 175.76 176.61 1vlf n ARG 47 N 3.78 -2.62 -1.17 0.00 1.74 -1.26 -1.43 116.66 115.70 1vlf n ARG 47 Ca -0.20 0.36 -0.06 0.00 -0.77 0.00 0.00 57.85 57.18 1vlf n ARG 47 Cb 0.56 -4.27 -0.03 0.00 -1.02 0.00 0.00 32.46 27.70 1vlf n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vlf n GLY 48 N -2.02 0.74 3.27 -0.13 0.00 -1.26 -5.00 105.19 100.80 1vlf n GLY 48 Ca -0.28 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1vlf n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vlf s LYS 49 N -2.07 1.11 -0.23 1.61 1.02 -0.51 -5.13 119.74 115.54 1vlf s LYS 49 Ca 0.00 -1.42 -0.03 0.00 0.02 0.00 0.00 55.97 54.54 1vlf s LYS 49 Cb 0.00 -0.83 0.01 0.00 -0.52 0.00 0.00 37.83 36.48 1vlf s LYS 49 CO 0.00 0.13 -0.06 0.99 -0.92 0.00 0.00 175.35 175.49 1vlf s THR 50 N -2.87 3.11 -0.18 2.17 2.01 -1.26 -1.51 115.64 117.11 1vlf s THR 50 Ca 0.16 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 1vlf s THR 50 Cb -0.01 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 1vlf s THR 50 CO 0.03 0.35 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.94 1vlf s PHE 51 N 1.41 3.05 -0.03 4.92 0.40 0.87 -4.94 117.98 123.67 1vlf s PHE 51 Ca 0.04 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 55.97 1vlf s PHE 51 Cb -0.15 -2.04 0.01 0.00 0.51 0.00 0.00 43.02 41.35 1vlf s PHE 51 CO -0.04 -0.13 0.11 -0.08 0.70 0.00 0.00 175.22 175.78 1vlf s THR 52 N 0.72 0.02 0.78 0.64 -1.32 -1.26 -0.57 115.64 114.65 1vlf s THR 52 Ca -0.00 -0.16 -0.12 0.00 -1.21 0.00 0.00 61.69 60.20 1vlf s THR 52 Cb -0.14 -0.22 0.06 0.00 -1.51 0.00 0.00 72.50 70.69 1vlf s THR 52 CO 0.02 -0.09 1.10 -2.16 -2.21 0.00 0.00 174.62 171.28 1vlf s PRO 53 N -0.25 2.21 0.46 7.08 0.04 -1.26 -5.03 135.00 138.24 1vlf s PRO 53 Ca -0.03 0.57 -0.23 0.00 0.04 0.00 0.00 61.00 61.35 1vlf s PRO 53 Cb -0.02 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 1vlf s PRO 53 CO 0.00 -1.52 1.18 -2.14 0.04 0.00 0.00 177.00 174.57 1vlf s PRO 54 N -5.22 3.75 -0.81 0.56 0.02 -1.26 -4.88 135.00 127.17 1vlf s PRO 54 Ca 0.60 1.82 -0.07 0.00 0.02 0.00 0.00 61.00 63.37 1vlf s PRO 54 Cb -0.14 -2.43 -0.16 0.00 0.02 0.00 0.00 34.50 31.80 1vlf s PRO 54 CO 0.53 -0.57 3.04 0.54 -0.33 0.00 0.00 177.00 180.21 1vlf n ARG 55 N -0.46 2.66 -3.51 5.54 5.12 -1.26 -4.77 116.66 119.98 1vlf n ARG 55 Ca 0.07 -1.53 -0.10 0.00 -1.93 0.00 0.00 57.85 54.36 1vlf n ARG 55 Cb 0.48 -2.38 -0.03 0.00 -1.16 0.00 0.00 32.46 29.37 1vlf n ARG 55 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1vlf s LYS 56 N 1.86 0.86 0.54 5.56 2.20 -1.26 -1.92 119.74 127.58 1vlf s LYS 56 Ca 0.62 -0.17 0.09 0.00 -0.36 0.00 0.00 55.97 56.15 1vlf s LYS 56 Cb 0.22 0.40 0.07 0.00 -1.51 0.00 0.00 37.83 37.01 1vlf s LYS 56 CO -0.03 -0.35 0.74 0.95 -0.36 0.00 0.00 175.35 176.31 1vlf s THR 57 N -2.57 2.38 0.20 3.43 -4.23 -0.61 -5.00 115.64 109.24 1vlf s THR 57 Ca 0.01 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 1vlf s THR 57 Cb -0.01 -2.41 -0.05 0.00 1.34 0.00 0.00 72.50 71.38 1vlf s THR 57 CO -0.05 0.00 0.04 -0.94 -0.54 0.00 0.00 174.62 173.13 1vlf s SER 58 N -4.58 1.13 0.08 3.99 1.04 -1.26 -4.36 113.70 109.74 1vlf s SER 58 Ca 0.60 -1.25 0.01 0.00 0.48 0.00 0.00 55.95 55.79 1vlf s SER 58 Cb -0.07 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1vlf s SER 58 CO 0.38 -0.64 -0.06 0.27 0.98 0.00 0.00 173.24 174.17 1vlf s ILE 59 N -3.72 0.59 0.55 -1.02 -4.36 -1.26 -4.58 121.20 107.41 1vlf s ILE 59 Ca 0.29 -1.74 -0.05 0.00 -0.26 0.00 0.00 60.65 58.89 1vlf s ILE 59 Cb 0.07 -1.43 -0.00 0.00 1.25 0.00 0.00 42.46 42.34 1vlf s ILE 59 CO 0.07 -0.79 0.86 0.00 0.24 0.00 0.00 174.94 175.32 1vlf s ALA 60 N -3.19 3.36 0.20 2.27 0.00 -0.63 -4.47 121.76 119.29 1vlf s ALA 60 Ca 0.07 -0.67 -0.13 0.00 0.00 0.00 0.00 51.96 51.23 1vlf s ALA 60 Cb 0.02 -2.57 0.22 0.00 0.00 0.00 0.00 23.12 20.80 1vlf s ALA 60 CO -0.04 -0.66 1.67 -1.35 0.00 0.00 0.00 175.76 175.38 1vlf h PRO 61 N -0.04 0.11 0.00 0.00 0.11 -1.92 -1.79 132.00 128.47 1vlf h PRO 61 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1vlf h PRO 61 Cb 1.24 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1vlf h PRO 61 CO 0.61 0.07 -0.03 0.10 -0.21 0.00 0.00 178.00 178.54 1vlf h TYR 62 N 0.11 0.00 0.13 0.65 -0.00 -1.91 -2.07 116.97 113.88 1vlf h TYR 62 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 58.73 58.69 1vlf h TYR 62 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.15 1vlf h TYR 62 CO -0.34 0.03 -1.58 1.15 -0.00 0.00 0.00 178.16 177.42 1vlf h THR 63 N 0.00 1.10 -0.89 -0.90 2.02 -1.68 -2.92 112.91 109.64 1vlf h THR 63 Ca -0.00 -2.73 0.05 0.00 0.77 0.00 0.00 66.41 64.50 1vlf h THR 63 Cb 0.22 2.76 -0.05 0.00 -1.74 0.00 0.00 68.15 69.33 1vlf h THR 63 CO 0.00 0.82 0.58 0.00 0.37 0.00 0.00 175.52 177.30 1vlf h ALA 64 N 0.42 1.48 -0.46 6.16 0.00 -0.81 -2.14 119.26 123.91 1vlf h ALA 64 Ca -0.26 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1vlf h ALA 64 Cb 2.04 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.47 1vlf h ALA 64 CO 0.17 0.41 0.08 0.41 0.00 0.00 0.00 179.25 180.32 1vlf n GLY 65 N -1.40 4.05 0.26 0.00 0.00 -1.05 -4.66 105.19 102.39 1vlf n GLY 65 Ca 0.13 -1.06 0.09 0.00 0.00 0.00 0.00 46.02 45.17 1vlf n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1vlf h PHE 66 N 2.03 0.00 -0.67 1.61 3.57 -1.17 -2.63 116.94 119.67 1vlf h PHE 66 Ca 0.14 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.73 1vlf h PHE 66 Cb 1.82 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.52 1vlf h PHE 66 CO 0.90 0.07 0.45 -0.22 -2.23 0.00 0.00 178.31 177.28 1vlf h LYS 67 N 0.00 0.54 0.00 1.11 3.64 -1.83 0.17 116.57 120.20 1vlf h LYS 67 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1vlf h LYS 67 Cb 0.13 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1vlf h LYS 67 CO 0.01 0.36 0.00 0.66 -2.27 0.00 0.00 179.45 178.21 1vlf h SER 68 N 0.56 0.00 0.17 4.20 4.64 -1.84 -1.96 113.55 119.31 1vlf h SER 68 Ca 0.31 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.27 1vlf h SER 68 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1vlf h SER 68 CO -0.10 0.00 -1.87 0.24 -0.87 0.00 0.00 176.83 174.23 1vlf h MET 69 N 0.00 0.33 -0.09 4.77 2.86 -0.83 -2.94 114.93 119.03 1vlf h MET 69 Ca 0.00 -0.56 0.01 0.00 -2.06 0.00 0.00 59.70 57.09 1vlf h MET 69 Cb 0.35 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1vlf h MET 69 CO 0.00 1.26 0.00 0.82 1.06 0.00 0.00 176.91 180.05 1vlf h ILE 70 N 0.09 0.94 -0.81 -1.22 2.04 -1.03 -2.62 117.51 114.90 1vlf h ILE 70 Ca -0.38 -0.01 -0.46 0.00 1.00 0.00 0.00 64.86 65.01 1vlf h ILE 70 Cb 2.07 0.90 -0.25 0.00 -0.74 0.00 0.00 36.82 38.81 1vlf h ILE 70 CO 0.13 0.01 0.58 -1.22 0.00 0.00 0.00 178.15 177.65 1vlf n TYR 71 N -5.11 2.52 -2.34 1.37 4.01 -0.77 -4.96 117.16 111.89 1vlf n TYR 71 Ca -0.05 -1.88 -0.39 0.00 -0.16 0.00 0.00 57.90 55.42 1vlf n TYR 71 Cb 0.06 -0.94 -0.03 0.00 -0.31 0.00 0.00 39.34 38.12 1vlf n TYR 71 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1vlf s SER 72 N -0.92 6.72 0.00 7.72 0.15 -0.99 -4.92 113.70 121.46 1vlf s SER 72 Ca 0.48 2.34 0.25 0.00 0.70 0.00 0.00 55.95 59.71 1vlf s SER 72 Cb 0.39 -2.62 1.16 0.00 -1.71 0.00 0.00 66.02 63.25 1vlf s SER 72 CO 0.06 -0.54 1.82 -0.90 1.20 0.00 0.00 173.24 174.89 1vlf n ASP 73 N 0.36 0.00 -0.94 5.45 5.75 -1.26 -2.18 116.55 123.72 1vlf n ASP 73 Ca 0.03 0.24 0.11 0.00 -0.01 0.00 0.00 54.79 55.16 1vlf n ASP 73 Cb 0.46 -0.40 0.27 0.00 -1.03 0.00 0.00 41.12 40.41 1vlf n ASP 73 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1vlf n LEU 74 N -1.40 2.81 -4.73 -2.12 4.77 -1.26 -4.91 117.00 110.15 1vlf n LEU 74 Ca 0.09 -1.24 -0.42 0.00 -0.03 0.00 0.00 56.01 54.41 1vlf n LEU 74 Cb 0.25 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1vlf n LEU 74 CO 0.21 0.62 1.15 -0.60 -1.33 0.00 0.00 177.39 177.44 1vlf s ARG 75 N -1.55 4.25 -0.15 3.23 6.06 -0.93 0.08 118.95 129.95 1vlf s ARG 75 Ca 0.36 2.31 -0.29 0.00 -2.50 0.00 0.00 55.73 55.61 1vlf s ARG 75 Cb 0.20 -3.13 -0.05 0.00 0.06 0.00 0.00 34.95 32.03 1vlf s ARG 75 CO 0.29 -0.49 1.85 0.42 -2.50 0.00 0.00 175.30 174.87 1vlf s ILE 76 N 0.46 3.36 0.26 4.11 1.01 -0.72 -4.75 121.20 124.92 1vlf s ILE 76 Ca 0.63 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.70 1vlf s ILE 76 Cb -0.42 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 38.72 1vlf s ILE 76 CO 0.38 -0.14 1.66 1.55 0.00 0.00 0.00 174.94 178.39 1vlf h PRO 77 N 11.67 0.49 -2.14 2.79 0.13 -1.90 -3.44 132.00 139.60 1vlf h PRO 77 Ca -0.40 -0.22 0.22 0.00 -0.87 0.00 0.00 66.00 64.74 1vlf h PRO 77 Cb 1.20 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1vlf h PRO 77 CO 0.97 0.76 0.63 1.52 -0.23 0.00 0.00 178.00 181.65 1vlf s TYR 78 N -4.34 -0.05 0.26 1.56 -0.85 -1.26 -0.91 117.35 111.76 1vlf s TYR 78 Ca -0.07 -0.22 -0.31 0.00 -0.52 0.00 0.00 57.07 55.96 1vlf s TYR 78 Cb 0.13 0.63 -0.12 0.00 0.38 0.00 0.00 41.96 42.97 1vlf s TYR 78 CO 0.80 -0.67 1.54 -2.30 -1.52 0.00 0.00 175.55 173.40 1vlf n PRO 79 N -0.56 2.45 -4.31 -3.49 -0.02 -1.25 -4.64 135.00 123.17 1vlf n PRO 79 Ca -0.05 0.87 -0.23 0.00 -2.02 0.00 0.00 63.50 62.07 1vlf n PRO 79 Cb 0.61 -2.62 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 1vlf n PRO 79 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1vlf s MET 80 N -0.29 1.20 -0.02 -0.52 -1.94 -0.67 -1.60 119.30 115.46 1vlf s MET 80 Ca 0.67 -1.29 0.02 0.00 -1.71 0.00 0.00 55.69 53.39 1vlf s MET 80 Cb -0.56 -1.36 0.00 0.00 2.01 0.00 0.00 34.83 34.92 1vlf s MET 80 CO 0.47 0.30 -0.08 0.21 -0.01 0.00 0.00 175.02 175.91 1vlf s LYS 81 N -2.35 0.83 -0.01 2.03 2.20 0.04 -0.98 119.74 121.50 1vlf s LYS 81 Ca 0.11 -0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.13 1vlf s LYS 81 Cb -0.08 -0.79 -0.06 0.00 -1.51 0.00 0.00 37.83 35.39 1vlf s LYS 81 CO 0.05 0.13 1.55 0.50 -0.36 0.00 0.00 175.35 177.22 1vlf s ARG 82 N 0.07 4.22 0.20 4.03 3.52 0.06 -0.79 118.95 130.26 1vlf s ARG 82 Ca -0.01 2.13 -0.10 0.00 -0.13 0.00 0.00 55.73 57.62 1vlf s ARG 82 Cb -0.07 -3.72 0.23 0.00 -1.56 0.00 0.00 34.95 29.83 1vlf s ARG 82 CO 0.00 -0.72 1.77 0.87 -0.81 0.00 0.00 175.30 176.42 1vlf h LYS 83 N 8.54 0.51 0.00 5.12 1.57 -1.43 -2.10 116.57 128.77 1vlf h LYS 83 Ca -0.39 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1vlf h LYS 83 Cb 1.18 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1vlf h LYS 83 CO 0.93 0.33 0.00 -1.13 -0.57 0.00 0.00 179.45 179.01 1vlf n SER 84 N -4.90 0.00 -4.35 0.86 3.41 -1.26 -4.69 113.62 102.69 1vlf n SER 84 Ca 0.08 -1.34 -0.37 0.00 -0.26 0.00 0.00 58.87 56.97 1vlf n SER 84 Cb 0.21 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.03 1vlf n SER 84 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1vlf s PHE 85 N -2.00 3.12 -0.25 7.33 5.36 -0.79 -4.25 117.98 126.50 1vlf s PHE 85 Ca 0.09 -0.94 0.02 0.00 -0.96 0.00 0.00 56.93 55.14 1vlf s PHE 85 Cb 0.04 -2.23 0.06 0.00 -0.34 0.00 0.00 43.02 40.55 1vlf s PHE 85 CO 0.07 -0.56 -0.08 0.34 -1.46 0.00 0.00 175.22 173.53 1vlf s ASP 86 N 1.50 4.21 0.42 6.13 2.15 -0.80 -4.86 116.67 125.43 1vlf s ASP 86 Ca 0.03 -1.33 0.15 0.00 0.43 0.00 0.00 52.55 51.83 1vlf s ASP 86 Cb -0.17 -1.40 1.03 0.00 -0.30 0.00 0.00 42.92 42.09 1vlf s ASP 86 CO 0.02 -0.22 1.90 -0.65 -0.17 0.00 0.00 175.17 176.05 1vlf h PRO 87 N 7.84 0.44 -0.60 4.34 0.11 -1.96 -1.59 132.00 140.57 1vlf h PRO 87 Ca -0.18 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.80 1vlf h PRO 87 Cb 1.05 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.00 1vlf h PRO 87 CO 0.44 0.29 0.12 0.09 -0.21 0.00 0.00 178.00 178.73 1vlf n ASN 88 N -4.49 4.97 0.00 -2.05 4.13 -1.26 -4.95 115.26 111.61 1vlf n ASN 88 Ca 0.16 -3.12 0.00 0.00 1.68 0.00 0.00 54.58 53.30 1vlf n ASN 88 Cb 0.55 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 1vlf n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vlf n GLY 89 N 0.04 3.23 3.66 7.41 0.00 -0.60 -5.10 105.19 113.83 1vlf n GLY 89 Ca 0.33 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 1vlf n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vlf s GLU 90 N 4.08 4.17 0.30 1.61 0.41 -1.25 -4.84 118.70 123.17 1vlf s GLU 90 Ca 0.00 1.70 0.23 0.00 -0.41 0.00 0.00 54.97 56.48 1vlf s GLU 90 Cb 0.00 -3.82 0.14 0.00 -1.78 0.00 0.00 34.13 28.66 1vlf s GLU 90 CO 0.00 -0.80 1.28 0.00 -0.49 0.00 0.00 175.26 175.24 1vlf h ARG 91 N 8.65 0.00 -6.68 1.61 3.08 -1.83 -2.13 114.38 117.08 1vlf h ARG 91 Ca -0.29 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.24 1vlf h ARG 91 Cb 1.12 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.18 1vlf h ARG 91 CO 0.98 0.00 -0.98 0.09 -1.07 0.00 0.00 179.97 178.99 1vlf n ASN 92 N -2.85 -4.70 -0.01 7.04 3.02 -1.26 -4.45 115.26 112.05 1vlf n ASN 92 Ca 0.02 -1.14 0.05 0.00 -0.03 0.00 0.00 54.58 53.48 1vlf n ASN 92 Cb 0.54 -2.22 0.44 0.00 -0.61 0.00 0.00 39.78 37.93 1vlf n ASN 92 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1vlf h PRO 93 N -1.97 0.50 0.00 3.52 0.11 -1.90 -1.47 132.00 130.80 1vlf h PRO 93 Ca -0.67 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.41 1vlf h PRO 93 Cb 1.38 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1vlf h PRO 93 CO 0.48 0.33 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 1vlf n GLN 94 N -4.48 0.08 -0.08 1.05 0.00 -1.26 -2.13 117.38 110.56 1vlf n GLN 94 Ca 0.04 0.42 0.12 0.00 0.00 0.00 0.00 57.00 57.58 1vlf n GLN 94 Cb 0.11 -1.68 0.25 0.00 0.00 0.00 0.00 30.24 28.92 1vlf n GLN 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1vlf n LEU 95 N -1.83 2.70 -4.72 2.61 4.77 -0.55 -4.84 117.00 115.14 1vlf n LEU 95 Ca 0.02 -1.05 -0.42 0.00 -0.03 0.00 0.00 56.01 54.53 1vlf n LEU 95 Cb 0.13 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1vlf n LEU 95 CO 0.12 0.52 1.17 -0.13 -1.33 0.00 0.00 177.39 177.74 1vlf s ARG 96 N -1.78 4.25 0.00 3.23 0.52 -0.90 -1.33 118.95 122.94 1vlf s ARG 96 Ca 0.34 2.26 0.00 0.00 -0.52 0.00 0.00 55.73 57.81 1vlf s ARG 96 Cb 0.21 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1vlf s ARG 96 CO 0.30 -0.54 0.00 0.41 0.02 0.00 0.00 175.30 175.49 1vlf n GLY 97 N 3.63 0.63 0.37 -3.53 0.00 -1.22 -4.76 105.19 100.31 1vlf n GLY 97 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1vlf n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vlf h ALA 98 N 0.00 1.36 -0.65 4.61 0.00 -1.50 -0.75 119.26 122.33 1vlf h ALA 98 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1vlf h ALA 98 Cb 0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1vlf h ALA 98 CO 0.00 0.55 0.10 0.78 0.00 0.00 0.00 179.25 180.68 1vlf h GLY 99 N 1.25 1.15 1.66 0.00 0.00 -1.82 -2.12 103.07 103.20 1vlf h GLY 99 Ca 0.39 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 1vlf h GLY 99 CO -0.12 0.70 -0.09 -2.00 0.00 0.00 0.00 176.54 175.03 1vlf h LEU 100 N 1.01 0.40 -1.32 3.11 5.85 -1.55 0.39 115.31 123.20 1vlf h LEU 100 Ca 0.20 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1vlf h LEU 100 Cb 0.43 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1vlf h LEU 100 CO 0.01 0.53 0.00 0.28 -0.34 0.00 0.00 178.44 178.93 1vlf h SER 101 N 0.40 0.00 -0.16 1.25 0.02 -0.48 -2.39 113.55 112.19 1vlf h SER 101 Ca 0.08 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1vlf h SER 101 Cb 0.41 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1vlf h SER 101 CO 0.02 0.00 -0.09 2.29 -1.14 0.00 0.00 176.83 177.91 1vlf n LYS 102 N -2.80 1.96 -3.28 3.45 2.85 -0.79 -4.15 118.16 115.40 1vlf n LYS 102 Ca 0.01 -2.91 -0.24 0.00 -1.05 0.00 0.00 58.31 54.12 1vlf n LYS 102 Cb 0.26 -1.70 0.03 0.00 -0.65 0.00 0.00 35.03 32.97 1vlf n LYS 102 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1vlf n GLN 103 N -1.04 -4.86 -2.99 -1.58 3.00 -0.90 -4.93 117.38 104.08 1vlf n GLN 103 Ca 0.22 0.74 -0.16 0.00 -0.01 0.00 0.00 57.00 57.80 1vlf n GLN 103 Cb 0.82 -5.59 -0.02 0.00 0.00 0.00 0.00 30.24 25.46 1vlf n GLN 103 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1vlf n ASP 104 N -2.54 -1.59 -0.10 1.08 2.03 0.13 -4.99 116.55 110.57 1vlf n ASP 104 Ca -0.06 -2.91 -0.06 0.00 0.52 0.00 0.00 54.79 52.28 1vlf n ASP 104 Cb 0.58 0.64 0.01 0.00 -0.72 0.00 0.00 41.12 41.63 1vlf n ASP 104 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1vlf h PRO 105 N 4.36 0.04 -0.25 -0.67 0.11 -1.89 -3.05 132.00 130.64 1vlf h PRO 105 Ca 0.01 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1vlf h PRO 105 Cb 0.97 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1vlf h PRO 105 CO 0.34 0.02 0.13 -1.49 -0.21 0.00 0.00 178.00 176.79 1vlf h TRP 106 N 0.04 0.32 -0.00 0.65 4.06 -1.96 -2.70 115.95 116.36 1vlf h TRP 106 Ca 0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.12 1vlf h TRP 106 Cb 0.24 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.29 1vlf h TRP 106 CO -0.28 0.23 0.11 0.66 -3.56 0.00 0.00 178.44 175.60 1vlf h SER 107 N 0.34 0.00 1.30 -3.49 4.64 -1.92 -1.32 113.55 113.11 1vlf h SER 107 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1vlf h SER 107 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1vlf h SER 107 CO -0.01 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.39 1vlf h ASP 108 N 0.00 0.00 -3.60 4.97 5.19 -1.65 -3.47 116.42 117.86 1vlf h ASP 108 Ca 0.00 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.74 1vlf h ASP 108 Cb 0.22 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 39.54 1vlf h ASP 108 CO -0.00 0.00 -0.81 -0.31 -3.12 0.00 0.00 179.24 175.00 1vlf s TYR 109 N -3.23 2.45 0.16 4.55 1.51 -0.50 -1.04 117.35 121.24 1vlf s TYR 109 Ca 0.07 -0.31 0.09 0.00 -1.01 0.00 0.00 57.07 55.92 1vlf s TYR 109 Cb 0.10 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1vlf s TYR 109 CO 0.55 0.41 -0.21 -1.83 -1.11 0.00 0.00 175.55 173.36 1vlf s GLU 110 N -2.29 1.31 0.25 -0.62 -1.05 0.03 -4.89 118.70 111.44 1vlf s GLU 110 Ca 0.18 -1.38 -0.28 0.00 -0.15 0.00 0.00 54.97 53.34 1vlf s GLU 110 Cb -0.10 -1.50 -0.09 0.00 -0.44 0.00 0.00 34.13 32.00 1vlf s GLU 110 CO 0.10 0.32 0.91 0.50 0.95 0.00 0.00 175.26 178.04 1vlf s ARG 111 N -2.54 4.73 0.05 -4.83 3.52 -1.26 -0.78 118.95 117.85 1vlf s ARG 111 Ca 0.15 1.39 -0.03 0.00 -0.13 0.00 0.00 55.73 57.10 1vlf s ARG 111 Cb -0.07 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 1vlf s ARG 111 CO 0.07 0.46 0.04 0.96 -0.81 0.00 0.00 175.30 176.02 1vlf s ILE 112 N -1.30 0.18 0.81 4.11 -4.36 -0.62 -4.89 121.20 115.12 1vlf s ILE 112 Ca 0.43 -1.49 -0.12 0.00 -0.26 0.00 0.00 60.65 59.21 1vlf s ILE 112 Cb -0.23 -1.29 0.08 0.00 1.25 0.00 0.00 42.46 42.26 1vlf s ILE 112 CO 0.29 -0.82 1.11 -0.94 0.24 0.00 0.00 174.94 174.82 1vlf s SER 113 N -2.68 4.44 0.23 4.36 1.04 -1.26 -3.96 113.70 115.87 1vlf s SER 113 Ca 0.03 1.18 -0.04 0.00 0.48 0.00 0.00 55.95 57.61 1vlf s SER 113 Cb 0.05 -1.88 0.24 0.00 0.10 0.00 0.00 66.02 64.52 1vlf s SER 113 CO -0.09 -1.98 1.68 -0.50 0.98 0.00 0.00 173.24 173.33 1vlf h TRP 114 N -1.10 0.89 -0.50 5.02 4.06 -1.98 -1.40 115.95 120.94 1vlf h TRP 114 Ca -0.47 -0.17 -0.03 0.00 2.06 0.00 0.00 58.89 60.29 1vlf h TRP 114 Cb 1.28 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 29.19 1vlf h TRP 114 CO 0.43 0.87 0.22 0.22 -3.56 0.00 0.00 178.44 176.62 1vlf h ASP 115 N 0.73 0.68 -0.19 -3.49 3.58 -1.99 -1.39 116.42 114.35 1vlf h ASP 115 Ca 0.12 -0.16 -0.17 0.00 0.42 0.00 0.00 57.03 57.25 1vlf h ASP 115 Cb 0.60 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1vlf h ASP 115 CO 0.04 0.65 -0.55 -0.08 -2.88 0.00 0.00 179.24 176.42 1vlf h GLU 116 N 0.67 0.70 -0.47 0.28 4.81 -1.91 -2.53 114.58 116.13 1vlf h GLU 116 Ca 0.17 -0.50 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1vlf h GLU 116 Cb 0.17 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1vlf h GLU 116 CO -0.02 1.12 0.29 0.00 -0.73 0.00 0.00 179.01 179.67 1vlf h ALA 117 N 0.58 0.60 0.00 2.92 0.00 -1.19 -1.65 119.26 120.51 1vlf h ALA 117 Ca -0.02 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1vlf h ALA 117 Cb 1.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1vlf h ALA 117 CO 0.12 0.08 -0.53 1.79 0.00 0.00 0.00 179.25 180.71 1vlf h THR 118 N 0.63 1.34 -0.57 0.00 1.35 -1.31 -2.39 112.91 111.95 1vlf h THR 118 Ca 0.17 -1.84 -0.10 0.00 -0.55 0.00 0.00 66.41 64.09 1vlf h THR 118 Cb -0.02 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 1vlf h THR 118 CO -0.03 0.52 -0.02 0.44 -0.25 0.00 0.00 175.52 176.18 1vlf h ASP 119 N 0.00 1.01 -0.49 5.36 3.32 -1.03 -0.91 116.42 123.68 1vlf h ASP 119 Ca -0.01 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 1vlf h ASP 119 Cb 0.96 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1vlf h ASP 119 CO 0.07 1.08 0.10 0.40 -1.72 0.00 0.00 179.24 179.17 1vlf h ILE 120 N 0.91 1.24 -0.27 0.35 2.04 -1.11 -1.12 117.51 119.55 1vlf h ILE 120 Ca 0.16 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 1vlf h ILE 120 Cb 0.57 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1vlf h ILE 120 CO 0.03 0.31 0.00 0.58 0.00 0.00 0.00 178.15 179.08 1vlf h VAL 121 N 0.67 1.26 -0.74 1.67 2.07 -1.32 -2.59 116.25 117.27 1vlf h VAL 121 Ca 0.15 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1vlf h VAL 121 Cb 0.36 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1vlf h VAL 121 CO 0.01 0.29 0.46 0.58 0.02 0.00 0.00 177.57 178.93 1vlf h VAL 122 N 0.27 1.20 -0.89 2.57 2.07 -1.09 -0.07 116.25 120.32 1vlf h VAL 122 Ca 0.08 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1vlf h VAL 122 Cb 0.42 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1vlf h VAL 122 CO 0.01 0.21 0.55 0.00 0.02 0.00 0.00 177.57 178.36 1vlf h ALA 123 N 1.25 1.30 -0.18 1.67 0.00 -1.12 -0.65 119.26 121.53 1vlf h ALA 123 Ca 0.27 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1vlf h ALA 123 Cb -0.06 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 1vlf h ALA 123 CO -0.05 0.61 -0.15 0.93 0.00 0.00 0.00 179.25 180.59 1vlf h GLU 124 N 1.22 0.42 -0.21 0.00 4.39 -1.02 -1.31 114.58 118.08 1vlf h GLU 124 Ca 0.32 -0.21 0.04 0.00 0.34 0.00 0.00 59.36 59.85 1vlf h GLU 124 Cb -0.08 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 1vlf h GLU 124 CO -0.06 0.77 -0.03 0.82 -1.16 0.00 0.00 179.01 179.34 1vlf h ILE 125 N 0.09 0.82 -0.22 3.13 2.04 -0.66 -0.67 117.51 122.03 1vlf h ILE 125 Ca 0.03 -0.01 -0.14 0.00 1.00 0.00 0.00 64.86 65.74 1vlf h ILE 125 Cb 0.68 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1vlf h ILE 125 CO 0.04 0.00 -0.44 0.78 0.00 0.00 0.00 178.15 178.53 1vlf h ASN 126 N 0.03 0.59 -0.27 1.72 2.35 -1.15 -0.98 115.58 117.86 1vlf h ASN 126 Ca 0.10 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1vlf h ASN 126 Cb 0.14 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1vlf h ASN 126 CO -0.19 0.95 0.11 -0.09 -1.65 0.00 0.00 177.43 176.56 1vlf h ARG 127 N 0.44 0.40 -0.38 0.81 2.43 -0.93 -2.61 114.38 114.54 1vlf h ARG 127 Ca 0.03 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1vlf h ARG 127 Cb 0.95 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1vlf h ARG 127 CO 0.08 0.43 -0.11 0.82 -1.51 0.00 0.00 179.97 179.68 1vlf h ILE 128 N 0.29 1.28 -0.87 1.20 2.04 -1.04 -2.45 117.51 117.96 1vlf h ILE 128 Ca 0.09 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 1vlf h ILE 128 Cb 0.17 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1vlf h ILE 128 CO -0.01 0.40 0.48 0.11 0.00 0.00 0.00 178.15 179.13 1vlf h LYS 129 N 0.55 1.20 0.00 2.37 1.57 -1.16 0.38 116.57 121.49 1vlf h LYS 129 Ca 0.09 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1vlf h LYS 129 Cb 0.64 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1vlf h LYS 129 CO 0.04 0.87 0.00 0.45 -0.57 0.00 0.00 179.45 180.25 1vlf h HIS 130 N 1.21 0.00 0.00 -1.35 3.86 -1.44 -0.87 115.15 116.56 1vlf h HIS 130 Ca 0.31 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 59.15 1vlf h HIS 130 Cb 0.02 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.42 1vlf h HIS 130 CO 0.01 0.00 -2.39 0.00 0.86 0.00 0.00 177.93 176.41 1vlf n ALA 131 N -2.04 1.49 0.00 2.45 0.00 -0.93 -4.78 120.51 116.71 1vlf n ALA 131 Ca 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1vlf n ALA 131 Cb 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1vlf n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vlf n TYR 132 N -2.92 0.00 0.00 0.00 4.01 0.13 -5.09 117.16 113.29 1vlf n TYR 132 Ca -0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 1vlf n TYR 132 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 1vlf n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vlf n GLY 133 N 1.59 1.89 0.37 2.72 0.00 -0.33 -4.54 105.19 106.89 1vlf n GLY 133 Ca 0.00 -1.95 0.19 0.00 0.00 0.00 0.00 46.02 44.26 1vlf n GLY 133 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1vlf h PRO 134 N 0.00 0.00 0.00 1.61 0.11 -1.86 -2.04 132.00 129.83 1vlf h PRO 134 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1vlf h PRO 134 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1vlf h PRO 134 CO 0.00 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.45 1vlf h SER 135 N 0.00 0.00 0.63 -2.05 4.64 -1.87 -2.33 113.55 112.57 1vlf h SER 135 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1vlf h SER 135 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1vlf h SER 135 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1vlf n ALA 136 N -2.00 1.97 -3.19 5.18 0.00 -0.77 -4.20 120.51 117.51 1vlf n ALA 136 Ca 0.00 -0.08 -0.46 0.00 0.00 0.00 0.00 53.44 52.91 1vlf n ALA 136 Cb 0.24 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 1vlf n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vlf s ILE 137 N -2.90 5.20 0.27 0.00 1.01 -0.88 -0.31 121.20 123.60 1vlf s ILE 137 Ca 0.12 -1.37 -0.19 0.00 0.00 0.00 0.00 60.65 59.21 1vlf s ILE 137 Cb 0.14 -4.30 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 1vlf s ILE 137 CO 0.36 -0.81 0.77 -0.22 0.00 0.00 0.00 174.94 175.03 1vlf s LEU 138 N 1.66 4.24 -0.07 2.97 2.96 0.30 -0.59 118.68 130.15 1vlf s LEU 138 Ca 0.04 1.44 -0.27 0.00 -0.22 0.00 0.00 54.13 55.12 1vlf s LEU 138 Cb -0.28 -3.83 0.06 0.00 0.50 0.00 0.00 46.19 42.64 1vlf s LEU 138 CO 0.04 -0.07 0.61 -0.55 -1.32 0.00 0.00 176.35 175.06 1vlf s SER 139 N -1.85 -0.58 -0.29 3.68 0.15 -0.51 -0.10 113.70 114.21 1vlf s SER 139 Ca 0.48 0.69 -0.18 0.00 0.70 0.00 0.00 55.95 57.64 1vlf s SER 139 Cb -0.15 0.62 0.13 0.00 -1.71 0.00 0.00 66.02 64.91 1vlf s SER 139 CO 0.20 -0.52 0.93 0.28 1.20 0.00 0.00 173.24 175.33 1vlf s THR 140 N -0.98 0.00 0.00 6.45 -1.32 -1.15 -2.25 115.64 116.39 1vlf s THR 140 Ca -0.10 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1vlf s THR 140 Cb -0.02 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1vlf s THR 140 CO 0.08 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.68 1vlf n PRO 141 N 3.50 3.51 -4.29 7.08 -0.04 -1.26 -2.53 135.00 140.96 1vlf n PRO 141 Ca -0.18 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 1vlf n PRO 141 Cb 0.57 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.95 1vlf n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vlf s SER 142 N -1.00 1.76 0.19 3.54 0.15 -1.25 -4.79 113.70 112.29 1vlf s SER 142 Ca 0.00 -1.77 -0.13 0.00 0.70 0.00 0.00 55.95 54.76 1vlf s SER 142 Cb 0.00 0.56 0.10 0.00 -1.71 0.00 0.00 66.02 64.97 1vlf s SER 142 CO 0.00 -1.06 1.86 0.28 1.20 0.00 0.00 173.24 175.51 1vlf h SER 143 N 2.11 0.71 -1.76 5.45 0.02 -2.00 -3.45 113.55 114.64 1vlf h SER 143 Ca -0.25 -0.02 -0.52 0.00 -0.84 0.00 0.00 61.79 60.16 1vlf h SER 143 Cb 1.23 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 63.54 1vlf h SER 143 CO 0.37 0.51 -0.47 -1.00 -1.14 0.00 0.00 176.83 175.10 1vlf s HIS 144 N -6.15 2.76 0.18 3.45 3.76 -1.26 -5.10 115.29 112.93 1vlf s HIS 144 Ca -0.13 -0.40 -0.22 0.00 -0.15 0.00 0.00 55.06 54.15 1vlf s HIS 144 Cb 0.13 -1.84 0.06 0.00 1.11 0.00 0.00 32.58 32.04 1vlf s HIS 144 CO 0.76 0.17 0.61 -1.58 -0.85 0.00 0.00 174.74 173.85 1vlf s HIS 145 N -2.42 -0.48 0.46 1.40 5.04 -1.26 -5.06 115.29 112.97 1vlf s HIS 145 Ca 0.41 0.23 -0.24 0.00 -1.54 0.00 0.00 55.06 53.93 1vlf s HIS 145 Cb -0.03 0.57 -0.09 0.00 0.04 0.00 0.00 32.58 33.07 1vlf s HIS 145 CO 0.25 -0.90 1.17 -1.33 -2.34 0.00 0.00 174.74 171.59 1vlf n MET 146 N -0.39 1.62 -2.13 2.88 2.81 -1.26 -4.85 117.12 115.80 1vlf n MET 146 Ca -0.15 0.58 -0.39 0.00 -1.81 0.00 0.00 57.70 55.93 1vlf n MET 146 Cb 0.64 -2.29 -0.01 0.00 -0.71 0.00 0.00 33.22 30.86 1vlf n MET 146 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1vlf s TRP 147 N -1.27 2.87 0.00 2.03 -0.11 -1.26 -4.76 118.94 116.45 1vlf s TRP 147 Ca 0.65 1.47 0.00 0.00 1.22 0.00 0.00 56.10 59.43 1vlf s TRP 147 Cb -0.50 -3.56 0.00 0.00 -1.50 0.00 0.00 33.47 27.91 1vlf s TRP 147 CO 0.55 -1.83 0.00 0.41 -4.62 0.00 0.00 176.95 171.46 1vlf n GLY 148 N 0.64 3.37 0.25 5.86 0.00 -1.26 -4.77 105.19 109.28 1vlf n GLY 148 Ca 0.05 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 1vlf n GLY 148 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1vlf h ASN 149 N 0.00 0.75 -0.47 1.61 4.21 -1.57 -1.09 115.58 119.03 1vlf h ASN 149 Ca 0.00 -0.16 -0.13 0.00 1.21 0.00 0.00 56.30 57.22 1vlf h ASN 149 Cb 0.00 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 36.99 1vlf h ASN 149 CO 0.00 0.71 -0.22 0.58 -1.29 0.00 0.00 177.43 177.21 1vlf h VAL 150 N 0.75 1.27 -0.01 2.81 2.07 -1.95 -3.12 116.25 118.08 1vlf h VAL 150 Ca 0.19 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1vlf h VAL 150 Cb 0.18 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1vlf h VAL 150 CO -0.02 0.48 -0.16 0.61 0.02 0.00 0.00 177.57 178.50 1vlf n GLY 151 N -0.11 -0.61 3.68 2.17 0.00 -1.20 -3.20 105.19 105.92 1vlf n GLY 151 Ca 0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1vlf n GLY 151 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1vlf n TYR 152 N -0.60 1.10 0.27 1.61 9.36 -0.42 -4.49 117.16 124.00 1vlf n TYR 152 Ca 0.14 0.40 0.10 0.00 3.32 0.00 0.00 57.90 61.87 1vlf n TYR 152 Cb 0.32 -2.07 0.72 0.00 -0.63 0.00 0.00 39.34 37.68 1vlf n TYR 152 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1vlf h ARG 153 N -1.20 0.00 0.00 2.98 0.11 -1.90 0.00 114.38 114.37 1vlf h ARG 153 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1vlf h ARG 153 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1vlf h ARG 153 CO 0.44 0.01 0.00 0.45 0.10 0.00 0.00 179.97 180.97 1vlf h HIS 154 N 0.00 0.00 0.00 4.08 3.86 -1.90 -2.94 115.15 118.25 1vlf h HIS 154 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1vlf h HIS 154 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1vlf h HIS 154 CO 0.00 0.00 0.00 0.45 0.86 0.00 0.00 177.93 179.24 1vlf n SER 155 N -2.34 0.00 0.13 2.45 2.88 -0.09 -4.51 113.62 112.14 1vlf n SER 155 Ca 0.04 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.44 1vlf n SER 155 Cb 0.33 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.71 1vlf n SER 155 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1vlf h THR 156 N 0.00 0.85 -0.15 2.46 2.02 -1.31 -1.56 112.91 115.21 1vlf h THR 156 Ca 0.00 -0.26 0.05 0.00 0.77 0.00 0.00 66.41 66.97 1vlf h THR 156 Cb 0.00 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 1vlf h THR 156 CO 0.00 0.06 -0.19 0.22 0.37 0.00 0.00 175.52 175.98 1vlf h TYR 157 N -0.40 -0.50 -0.52 3.16 3.20 -1.69 -2.36 116.97 117.86 1vlf h TYR 157 Ca -0.03 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1vlf h TYR 157 Cb 0.31 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1vlf h TYR 157 CO -0.03 -0.27 0.10 0.74 -1.64 0.00 0.00 178.16 177.07 1vlf h PHE 158 N -0.23 0.90 -0.75 -3.82 0.05 -1.55 0.38 116.94 111.92 1vlf h PHE 158 Ca 0.11 -0.12 0.09 0.00 3.82 0.00 0.00 57.97 61.87 1vlf h PHE 158 Cb 0.39 -0.25 -0.07 0.00 2.00 0.00 0.00 35.95 38.02 1vlf h PHE 158 CO -0.31 0.80 0.39 -0.09 -0.18 0.00 0.00 178.31 178.93 1vlf h ARG 159 N 0.74 0.65 0.03 1.51 2.43 -0.99 -0.55 114.38 118.19 1vlf h ARG 159 Ca 0.16 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1vlf h ARG 159 Cb 0.38 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1vlf h ARG 159 CO 0.01 0.43 -0.01 0.35 -1.51 0.00 0.00 179.97 179.23 1vlf h PHE 160 N 0.67 -0.03 -0.87 2.20 3.57 -1.29 -3.31 116.94 117.87 1vlf h PHE 160 Ca 0.37 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.95 1vlf h PHE 160 Cb 0.37 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 1vlf h PHE 160 CO -0.09 0.69 0.57 0.52 -2.23 0.00 0.00 178.31 177.76 1vlf h MET 161 N -0.88 0.88 0.00 1.11 2.86 -0.81 -0.89 114.93 117.21 1vlf h MET 161 Ca -0.00 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1vlf h MET 161 Cb 0.73 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1vlf h MET 161 CO 0.01 0.58 -0.12 -0.91 1.06 0.00 0.00 176.91 177.53 1vlf h ASN 162 N 0.91 0.00 0.27 1.22 -0.26 -1.23 -0.58 115.58 115.91 1vlf h ASN 162 Ca 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.13 1vlf h ASN 162 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1vlf h ASN 162 CO -0.16 0.12 -0.34 0.23 -1.06 0.00 0.00 177.43 176.22 1vlf n MET 163 N -3.85 0.67 -0.03 0.81 2.81 -0.37 -4.55 117.12 112.60 1vlf n MET 163 Ca -0.02 -0.41 -0.08 0.00 -1.81 0.00 0.00 57.70 55.38 1vlf n MET 163 Cb 0.22 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 1vlf n MET 163 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1vlf n MET 164 N -0.81 0.23 0.00 0.03 0.00 -0.66 -5.11 117.12 110.81 1vlf n MET 164 Ca 0.10 0.10 0.00 0.00 -0.00 0.00 0.00 57.70 57.90 1vlf n MET 164 Cb 0.35 -0.90 0.00 0.00 0.00 0.00 0.00 33.22 32.67 1vlf n MET 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vlf n GLY 165 N 2.49 2.69 3.60 -5.12 0.00 -0.32 -4.92 105.19 103.61 1vlf n GLY 165 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1vlf n GLY 165 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1vlf s PHE 166 N 4.01 -0.03 -0.27 1.61 -0.12 -1.25 -4.80 117.98 117.12 1vlf s PHE 166 Ca 0.00 -0.00 -0.12 0.00 -0.05 0.00 0.00 56.93 56.76 1vlf s PHE 166 Cb 0.00 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 1vlf s PHE 166 CO 0.00 -0.11 0.25 0.99 -0.05 0.00 0.00 175.22 176.30 1vlf s THR 167 N -2.19 5.27 0.01 -4.49 2.01 0.24 -4.40 115.64 112.08 1vlf s THR 167 Ca 0.13 0.31 -0.18 0.00 0.31 0.00 0.00 61.69 62.26 1vlf s THR 167 Cb 0.03 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 1vlf s THR 167 CO -0.05 0.22 0.52 -0.47 -0.69 0.00 0.00 174.62 174.15 1vlf s TYR 168 N 1.82 3.72 -1.16 4.92 5.04 -1.26 -1.42 117.35 129.02 1vlf s TYR 168 Ca 0.10 1.13 -0.13 0.00 -2.44 0.00 0.00 57.07 55.73 1vlf s TYR 168 Cb -0.16 -2.47 0.20 0.00 0.35 0.00 0.00 41.96 39.88 1vlf s TYR 168 CO 0.10 0.50 1.32 0.00 -1.34 0.00 0.00 175.55 176.12 1vlf s ALA 169 N -0.66 4.16 0.43 3.97 0.00 -0.95 -1.42 121.76 127.28 1vlf s ALA 169 Ca 0.27 -3.45 -0.24 0.00 0.00 0.00 0.00 51.96 48.54 1vlf s ALA 169 Cb -0.18 -3.96 -0.10 0.00 0.00 0.00 0.00 23.12 18.88 1vlf s ALA 169 CO 0.16 -2.62 1.11 -3.47 0.00 0.00 0.00 175.76 170.93 1vlf n ASP 170 N 4.89 1.74 -4.74 0.00 -0.08 -0.57 -4.26 116.55 113.53 1vlf n ASP 170 Ca 0.32 1.05 -0.41 0.00 -1.51 0.00 0.00 54.79 54.25 1vlf n ASP 170 Cb 0.42 -1.41 -0.05 0.00 2.34 0.00 0.00 41.12 42.42 1vlf n ASP 170 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1vlf s HIS 171 N -1.25 3.85 0.57 -0.67 3.76 -1.26 -1.46 115.29 118.84 1vlf s HIS 171 Ca 0.63 1.77 -0.18 0.00 -0.15 0.00 0.00 55.06 57.14 1vlf s HIS 171 Cb -0.53 -2.98 -0.04 0.00 1.11 0.00 0.00 32.58 30.13 1vlf s HIS 171 CO 0.57 0.31 1.09 0.54 -0.85 0.00 0.00 174.74 176.40 1vlf s ASN 172 N -0.40 5.70 -1.21 1.40 4.22 -1.26 -3.45 114.94 119.93 1vlf s ASN 172 Ca 0.43 2.02 -0.13 0.00 -2.14 0.00 0.00 52.86 53.04 1vlf s ASN 172 Cb -0.24 -2.56 -0.06 0.00 1.28 0.00 0.00 41.25 39.67 1vlf s ASN 172 CO 0.29 -1.23 2.31 -0.81 -2.04 0.00 0.00 177.10 175.63 1vlf n PRO 173 N -1.66 2.57 -0.31 3.55 -0.04 -1.26 -4.76 135.00 133.09 1vlf n PRO 173 Ca 0.10 -2.05 -0.02 0.00 -0.04 0.00 0.00 63.50 61.50 1vlf n PRO 173 Cb 0.52 -2.88 0.04 0.00 -0.04 0.00 0.00 33.50 31.14 1vlf n PRO 173 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1vlf h ASP 174 N 6.27 -1.23 -0.41 3.54 3.04 -1.98 0.20 116.42 125.83 1vlf h ASP 174 Ca 0.59 0.27 -0.01 0.00 -3.24 0.00 0.00 57.03 54.65 1vlf h ASP 174 Cb 0.44 0.66 -0.02 0.00 -1.04 0.00 0.00 39.33 39.37 1vlf h ASP 174 CO 1.78 -0.29 0.23 0.28 -2.04 0.00 0.00 179.24 179.19 1vlf h SER 175 N -0.06 0.54 0.00 4.15 0.02 -2.00 -3.25 113.55 112.96 1vlf h SER 175 Ca 0.32 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1vlf h SER 175 Cb 0.59 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1vlf h SER 175 CO -0.87 0.45 -1.05 0.79 -1.14 0.00 0.00 176.83 175.01 1vlf n TRP 176 N -4.41 0.00 0.00 3.45 8.01 -0.43 -4.52 117.44 119.54 1vlf n TRP 176 Ca 0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 1vlf n TRP 176 Cb 0.11 -0.07 0.00 0.00 -2.01 0.00 0.00 31.31 29.34 1vlf n TRP 176 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1vlf n GLU 177 N -1.56 0.00 -0.33 -0.99 -0.58 0.56 0.54 120.64 118.28 1vlf n GLU 177 Ca 0.03 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1vlf n GLU 177 Cb 0.33 0.00 0.13 0.00 -0.57 0.00 0.00 31.44 31.33 1vlf n GLU 177 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1vlf h GLY 178 N 0.00 1.34 1.47 0.62 0.00 -0.57 0.16 103.07 106.10 1vlf h GLY 178 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.75 1vlf h GLY 178 CO 0.00 0.35 -0.43 1.49 0.00 0.00 0.00 176.54 177.95 1vlf h TRP 179 N 1.11 0.70 0.20 5.60 4.06 -0.17 0.31 115.95 127.76 1vlf h TRP 179 Ca 0.37 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 61.10 1vlf h TRP 179 Cb 0.06 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.08 1vlf h TRP 179 CO -0.02 0.91 -0.10 1.25 -3.56 0.00 0.00 178.44 176.93 1vlf h HIS 180 N 0.47 -0.25 0.00 0.49 2.76 -0.76 0.24 115.15 118.11 1vlf h HIS 180 Ca 0.03 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1vlf h HIS 180 Cb 0.95 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.99 1vlf h HIS 180 CO 0.04 0.14 -0.21 0.91 -1.30 0.00 0.00 177.93 177.51 1vlf n TRP 181 N -4.96 0.25 0.06 5.26 7.02 -0.00 -4.17 117.44 120.89 1vlf n TRP 181 Ca -0.07 0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1vlf n TRP 181 Cb 0.25 -0.54 0.00 0.00 -2.42 0.00 0.00 31.31 28.60 1vlf n TRP 181 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vlf n GLY 182 N 1.44 -0.07 0.36 6.99 0.00 -0.02 -4.83 105.19 109.07 1vlf n GLY 182 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1vlf n GLY 182 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vlf h GLY 183 N 0.00 0.80 0.53 -0.02 0.00 -0.72 -2.45 103.07 101.20 1vlf h GLY 183 Ca 0.00 -0.22 0.13 0.00 0.00 0.00 0.00 47.33 47.24 1vlf h GLY 183 CO 0.00 0.11 0.60 1.98 0.00 0.00 0.00 176.54 179.22 1vlf h MET 184 N 0.52 0.81 0.00 4.80 -1.53 -0.69 -0.13 114.93 118.71 1vlf h MET 184 Ca 0.34 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.56 1vlf h MET 184 Cb 0.62 -0.18 0.00 0.00 -0.55 0.00 0.00 31.60 31.49 1vlf h MET 184 CO -0.12 0.53 0.00 0.45 0.14 0.00 0.00 176.91 177.92 1vlf h HIS 185 N 0.83 0.00 0.12 1.39 3.86 -1.73 0.16 115.15 119.78 1vlf h HIS 185 Ca 0.46 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 59.31 1vlf h HIS 185 Cb 0.59 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 1vlf h HIS 185 CO -0.00 0.00 -2.02 -0.12 0.86 0.00 0.00 177.93 176.65 1vlf n MET 186 N -2.87 0.75 0.00 2.45 0.00 -0.14 -4.60 117.12 112.71 1vlf n MET 186 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.98 1vlf n MET 186 Cb 0.36 -1.70 0.00 0.00 0.00 0.00 0.00 33.22 31.88 1vlf n MET 186 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 175.97 173.30 1vlf n TRP 187 N -3.46 0.00 0.00 1.12 4.27 -0.71 -0.44 117.44 118.23 1vlf n TRP 187 Ca -0.32 -0.09 0.00 0.00 -3.89 0.00 0.00 57.50 53.20 1vlf n TRP 187 Cb 1.05 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.99 1vlf n TRP 187 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1vlf n GLY 188 N -0.09 1.54 3.36 -1.67 0.00 0.57 -4.38 105.19 104.52 1vlf n GLY 188 Ca 0.00 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 1vlf n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vlf n PHE 189 N 11.90 -2.05 -0.26 1.61 3.01 -1.26 -4.23 117.46 126.19 1vlf n PHE 189 Ca 0.00 0.62 0.07 0.00 1.01 0.00 0.00 57.45 59.15 1vlf n PHE 189 Cb 0.00 -3.89 0.32 0.00 -0.01 0.00 0.00 39.48 35.90 1vlf n PHE 189 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1vlf h SER 190 N -1.48 0.75 0.40 4.37 4.64 -1.90 -0.27 113.55 120.05 1vlf h SER 190 Ca -0.51 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1vlf h SER 190 Cb 1.34 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1vlf h SER 190 CO 0.58 0.45 0.00 -2.67 -0.87 0.00 0.00 176.83 174.31 1vlf n TRP 191 N -4.51 0.25 -0.31 4.77 2.14 -1.10 -0.40 117.44 118.27 1vlf n TRP 191 Ca 0.14 0.11 0.04 0.00 2.07 0.00 0.00 57.50 59.86 1vlf n TRP 191 Cb 0.30 -0.67 0.10 0.00 -0.81 0.00 0.00 31.31 30.23 1vlf n TRP 191 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1vlf n ARG 192 N -1.73 2.72 -3.11 -2.67 1.74 -0.27 -4.35 116.66 108.99 1vlf n ARG 192 Ca 0.02 -1.98 -0.22 0.00 -0.77 0.00 0.00 57.85 54.89 1vlf n ARG 192 Cb 0.13 -1.25 0.02 0.00 -1.02 0.00 0.00 32.46 30.34 1vlf n ARG 192 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1vlf n LEU 193 N -0.28 -2.25 0.00 0.55 4.77 0.47 -2.48 117.00 117.79 1vlf n LEU 193 Ca 0.08 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1vlf n LEU 193 Cb 0.43 -2.67 0.00 0.00 -2.33 0.00 0.00 43.42 38.86 1vlf n LEU 193 CO 0.05 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1vlf n GLY 194 N -1.38 2.84 3.83 -0.72 0.00 -0.27 -2.55 105.19 106.94 1vlf n GLY 194 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1vlf n GLY 194 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vlf s ASN 195 N -1.28 6.80 0.57 1.61 0.01 -1.03 -4.71 114.94 116.92 1vlf s ASN 195 Ca 0.00 1.57 -0.09 0.00 -0.71 0.00 0.00 52.86 53.63 1vlf s ASN 195 Cb 0.00 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 1vlf s ASN 195 CO 0.00 -0.41 0.95 -2.16 -1.51 0.00 0.00 177.10 173.97 1vlf s PRO 196 N -3.45 3.58 0.74 -0.60 0.04 -1.26 -4.71 135.00 129.34 1vlf s PRO 196 Ca 0.60 0.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 1vlf s PRO 196 Cb -0.09 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1vlf s PRO 196 CO 0.20 -0.45 1.07 -1.83 0.04 0.00 0.00 177.00 176.03 1vlf s GLU 197 N -5.03 2.58 -0.00 4.56 -1.05 -1.26 -4.93 118.70 113.56 1vlf s GLU 197 Ca 0.52 0.88 0.01 0.00 -0.15 0.00 0.00 54.97 56.23 1vlf s GLU 197 Cb -0.11 -1.96 0.01 0.00 -0.44 0.00 0.00 34.13 31.64 1vlf s GLU 197 CO 0.51 -1.33 0.66 1.04 0.95 0.00 0.00 175.26 177.09 1vlf n GLN 198 N -3.28 0.46 -1.58 -4.83 1.13 -1.26 -4.82 117.38 103.20 1vlf n GLN 198 Ca 0.07 -0.78 -0.46 0.00 -1.94 0.00 0.00 57.00 53.90 1vlf n GLN 198 Cb 0.54 -0.60 -0.02 0.00 0.11 0.00 0.00 30.24 30.27 1vlf n GLN 198 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1vlf n TYR 199 N -0.11 1.20 -2.05 1.08 4.02 -1.26 -3.04 117.16 117.00 1vlf n TYR 199 Ca 0.00 0.70 -0.11 0.00 -0.01 0.00 0.00 57.90 58.49 1vlf n TYR 199 Cb 0.50 -2.25 -0.02 0.00 -0.02 0.00 0.00 39.34 37.55 1vlf n TYR 199 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1vlf n ASP 200 N 1.53 -3.38 0.16 7.72 10.43 -1.25 -1.66 116.55 130.10 1vlf n ASP 200 Ca 0.12 0.24 0.05 0.00 2.57 0.00 0.00 54.79 57.77 1vlf n ASP 200 Cb 0.29 -3.00 0.12 0.00 1.84 0.00 0.00 41.12 40.37 1vlf n ASP 200 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1vlf h LEU 201 N 0.00 0.00 -0.07 0.64 3.38 -1.44 -3.31 115.31 114.50 1vlf h LEU 201 Ca -0.25 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1vlf h LEU 201 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1vlf h LEU 201 CO 0.32 0.41 0.00 0.25 0.09 0.00 0.00 178.44 179.52 1vlf h LEU 202 N 0.00 -0.02 -1.01 1.67 5.85 -1.56 0.13 115.31 120.37 1vlf h LEU 202 Ca -0.00 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1vlf h LEU 202 Cb 1.23 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1vlf h LEU 202 CO 0.05 0.00 0.05 -0.08 -0.34 0.00 0.00 178.44 178.12 1vlf h GLU 203 N 0.03 0.76 -0.44 1.25 4.81 -1.78 -0.82 114.58 118.39 1vlf h GLU 203 Ca 0.03 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1vlf h GLU 203 Cb 0.03 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1vlf h GLU 203 CO -0.05 0.73 0.23 0.22 -0.73 0.00 0.00 179.01 179.41 1vlf h ASP 204 N 0.72 0.56 -0.37 1.04 -0.00 -1.50 -1.74 116.42 115.11 1vlf h ASP 204 Ca 0.15 -0.10 -0.09 0.00 -0.00 0.00 0.00 57.03 56.98 1vlf h ASP 204 Cb 0.37 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.55 1vlf h ASP 204 CO 0.01 0.50 -0.12 1.23 -0.00 0.00 0.00 179.24 180.86 1vlf h GLY 205 N 0.57 0.80 1.87 -0.78 0.00 -0.44 0.33 103.07 105.42 1vlf h GLY 205 Ca 0.15 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1vlf h GLY 205 CO -0.02 0.63 -0.04 1.41 0.00 0.00 0.00 176.54 178.51 1vlf h LEU 206 N 0.54 0.15 0.01 3.11 3.38 -1.05 0.71 115.31 122.17 1vlf h LEU 206 Ca 0.09 -0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.77 1vlf h LEU 206 Cb 0.65 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1vlf h LEU 206 CO 0.04 0.23 -1.54 0.11 0.09 0.00 0.00 178.44 177.38 1vlf h LYS 207 N 0.17 0.01 0.00 1.13 1.57 -1.13 -3.43 116.57 114.89 1vlf h LYS 207 Ca 0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1vlf h LYS 207 Cb 0.19 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1vlf h LYS 207 CO 0.01 0.65 -0.44 0.72 -0.57 0.00 0.00 179.45 179.82 1vlf n HIS 208 N -3.14 0.00 -1.88 -1.35 8.25 0.09 -4.86 115.22 112.33 1vlf n HIS 208 Ca -0.13 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.92 1vlf n HIS 208 Cb 1.02 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.12 1vlf n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vlf s ALA 209 N -1.28 3.65 0.00 -1.41 0.00 0.23 -4.69 121.76 118.25 1vlf s ALA 209 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1vlf s ALA 209 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1vlf s ALA 209 CO 0.00 -0.90 0.00 0.39 0.00 0.00 0.00 175.76 175.25 1vlf n GLU 210 N 1.64 2.59 -3.65 0.00 1.02 -0.31 -4.79 120.64 117.14 1vlf n GLU 210 Ca 0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 1vlf n GLU 210 Cb 0.39 -0.93 -0.08 0.00 -0.02 0.00 0.00 31.44 30.81 1vlf n GLU 210 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1vlf s MET 211 N -1.81 0.81 -0.07 3.49 0.00 -0.93 -2.28 119.30 118.51 1vlf s MET 211 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 55.69 56.01 1vlf s MET 211 Cb 0.00 0.38 0.02 0.00 0.00 0.00 0.00 34.83 35.23 1vlf s MET 211 CO 0.00 -0.20 -0.09 0.42 0.00 0.00 0.00 175.02 175.15 1vlf s ILE 212 N -0.71 0.95 -0.45 10.11 1.01 -0.02 -1.36 121.20 130.73 1vlf s ILE 212 Ca -0.08 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 1vlf s ILE 212 Cb -0.03 -0.91 0.09 0.00 0.01 0.00 0.00 42.46 41.62 1vlf s ILE 212 CO 0.05 0.32 0.32 -0.69 0.00 0.00 0.00 174.94 174.94 1vlf s VAL 213 N 0.91 4.44 -0.66 2.92 1.01 -0.39 -1.53 120.40 127.10 1vlf s VAL 213 Ca -0.10 -1.45 -0.25 0.00 0.00 0.00 0.00 61.98 60.18 1vlf s VAL 213 Cb -0.15 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.51 1vlf s VAL 213 CO 0.01 -0.61 1.11 -0.36 0.00 0.00 0.00 175.10 175.26 1vlf s PHE 214 N 1.45 2.53 -0.30 5.22 0.08 0.73 -0.36 117.98 127.33 1vlf s PHE 214 Ca 0.04 -0.16 -0.08 0.00 0.12 0.00 0.00 56.93 56.85 1vlf s PHE 214 Cb -0.24 -4.42 0.00 0.00 -0.57 0.00 0.00 43.02 37.79 1vlf s PHE 214 CO 0.02 -1.77 0.10 -0.46 -0.10 0.00 0.00 175.22 173.02 1vlf s TRP 215 N 4.81 3.16 -1.45 0.36 -0.11 -0.38 -1.18 118.94 124.15 1vlf s TRP 215 Ca 0.31 -0.85 -0.11 0.00 1.22 0.00 0.00 56.10 56.67 1vlf s TRP 215 Cb -0.12 -2.29 0.05 0.00 -1.50 0.00 0.00 33.47 29.62 1vlf s TRP 215 CO 0.15 -0.54 1.05 0.45 -4.62 0.00 0.00 176.95 173.44 1vlf n SER 216 N 4.90 -5.13 -3.89 5.86 2.88 -0.57 -1.45 113.62 116.22 1vlf n SER 216 Ca -0.14 -0.69 -0.24 0.00 -1.33 0.00 0.00 58.87 56.47 1vlf n SER 216 Cb 0.48 -4.37 -0.17 0.00 -0.75 0.00 0.00 64.21 59.41 1vlf n SER 216 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1vlf s SER 217 N -3.40 1.65 -0.50 -3.46 0.15 -1.26 -3.52 113.70 103.35 1vlf s SER 217 Ca 0.58 -0.21 0.07 0.00 0.70 0.00 0.00 55.95 57.09 1vlf s SER 217 Cb -0.28 -0.65 0.24 0.00 -1.71 0.00 0.00 66.02 63.63 1vlf s SER 217 CO 0.79 -0.09 0.58 -0.67 1.20 0.00 0.00 173.24 175.05 1vlf n ASP 218 N 4.54 1.54 -0.25 5.45 -0.08 -1.26 -4.90 116.55 121.59 1vlf n ASP 218 Ca -0.16 -2.96 0.05 0.00 -1.51 0.00 0.00 54.79 50.20 1vlf n ASP 218 Cb 0.51 -0.65 0.15 0.00 2.34 0.00 0.00 41.12 43.47 1vlf n ASP 218 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1vlf h PRO 219 N 4.27 0.10 -0.76 -0.67 0.11 -1.91 -1.38 132.00 131.77 1vlf h PRO 219 Ca 0.14 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.33 1vlf h PRO 219 Cb 0.80 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.81 1vlf h PRO 219 CO 0.60 0.07 0.41 0.93 -0.21 0.00 0.00 178.00 179.80 1vlf h GLU 220 N 0.10 0.67 0.22 1.05 4.39 -1.94 1.16 114.58 120.23 1vlf h GLU 220 Ca 0.40 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 1vlf h GLU 220 Cb 0.70 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1vlf h GLU 220 CO -0.65 0.45 -0.10 1.15 -1.16 0.00 0.00 179.01 178.69 1vlf h THR 221 N 0.69 0.56 0.00 1.13 2.02 -1.68 -3.38 112.91 112.26 1vlf h THR 221 Ca 0.37 -0.99 -0.21 0.00 0.77 0.00 0.00 66.41 66.35 1vlf h THR 221 Cb 0.36 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1vlf h THR 221 CO -0.25 0.15 -1.06 0.78 0.37 0.00 0.00 175.52 175.51 1vlf h ASN 222 N -0.96 0.00 -0.77 4.18 2.35 -1.26 -3.48 115.58 115.65 1vlf h ASN 222 Ca -0.03 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.47 1vlf h ASN 222 Cb 0.47 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.74 1vlf h ASN 222 CO 0.05 0.90 -0.22 -1.54 -1.65 0.00 0.00 177.43 174.97 1vlf n SER 223 N -3.26 -4.85 0.00 5.81 3.41 0.40 -2.72 113.62 112.41 1vlf n SER 223 Ca -0.03 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1vlf n SER 223 Cb 0.92 -3.85 0.00 0.00 -0.26 0.00 0.00 64.21 61.02 1vlf n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vlf n GLY 224 N 0.06 1.89 3.65 5.00 0.00 -1.25 -4.34 105.19 110.18 1vlf n GLY 224 Ca -0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 1vlf n GLY 224 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vlf s ILE 225 N 0.00 0.00 0.00 -0.61 2.07 -1.10 -4.70 121.20 116.85 1vlf s ILE 225 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1vlf s ILE 225 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1vlf s ILE 225 CO 0.00 0.00 0.00 -1.22 -1.91 0.00 0.00 174.94 171.81 1vlf n TYR 226 N 1.91 0.00 -1.33 3.50 0.53 -1.25 -4.86 117.16 115.66 1vlf n TYR 226 Ca -0.12 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.60 1vlf n TYR 226 Cb 0.57 -1.84 0.18 0.00 -1.03 0.00 0.00 39.34 37.23 1vlf n TYR 226 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1vlf n ALA 227 N 1.00 5.12 -0.01 -0.72 0.00 -1.26 -3.88 120.51 120.76 1vlf n ALA 227 Ca 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 53.44 50.42 1vlf n ALA 227 Cb 0.35 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1vlf n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vlf n GLY 228 N -1.14 2.03 1.75 0.00 0.00 -1.26 -1.50 105.19 105.07 1vlf n GLY 228 Ca 0.49 0.42 -0.07 0.00 0.00 0.00 0.00 46.02 46.87 1vlf n GLY 228 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vlf n PHE 229 N 9.11 1.32 -0.19 1.61 3.01 -1.26 -4.64 117.46 126.42 1vlf n PHE 229 Ca 0.00 -1.77 0.07 0.00 1.01 0.00 0.00 57.45 56.77 1vlf n PHE 229 Cb 0.00 -0.27 0.36 0.00 -0.01 0.00 0.00 39.48 39.56 1vlf n PHE 229 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1vlf h GLU 230 N 1.79 0.72 -0.01 -1.08 4.39 -1.59 -2.78 114.58 116.03 1vlf h GLU 230 Ca 0.08 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1vlf h GLU 230 Cb 1.39 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1vlf h GLU 230 CO 0.34 0.48 -0.08 -1.13 -1.16 0.00 0.00 179.01 177.46 1vlf n SER 231 N -4.49 0.84 -0.10 1.42 3.41 -1.26 -4.32 113.62 109.12 1vlf n SER 231 Ca 0.12 -1.02 -0.06 0.00 -0.26 0.00 0.00 58.87 57.65 1vlf n SER 231 Cb 0.26 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 1vlf n SER 231 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1vlf h ASN 232 N 1.19 -0.40 0.10 4.04 -0.73 -1.88 -1.90 115.58 115.99 1vlf h ASN 232 Ca 0.00 0.12 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 1vlf h ASN 232 Cb 0.37 0.25 -0.00 0.00 0.27 0.00 0.00 38.32 39.20 1vlf h ASN 232 CO 0.00 -0.14 -0.09 -0.29 -0.37 0.00 0.00 177.43 176.53 1vlf h ILE 233 N -0.03 1.05 -0.46 2.57 2.10 -1.82 -2.65 117.51 118.27 1vlf h ILE 233 Ca 0.17 -0.32 -0.09 0.00 1.08 0.00 0.00 64.86 65.71 1vlf h ILE 233 Cb 0.30 1.17 -0.02 0.00 -1.09 0.00 0.00 36.82 37.19 1vlf h ILE 233 CO -0.39 0.09 -0.05 0.03 -1.08 0.00 0.00 178.15 176.76 1vlf h ARG 234 N 0.00 0.84 0.00 2.19 3.08 -1.62 -0.86 114.38 118.01 1vlf h ARG 234 Ca -0.00 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 1vlf h ARG 234 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1vlf h ARG 234 CO 0.01 0.92 -0.38 0.00 -1.07 0.00 0.00 179.97 179.45 1vlf h ARG 235 N 0.68 0.00 -0.41 0.04 3.08 -1.37 -1.67 114.38 114.73 1vlf h ARG 235 Ca 0.12 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 1vlf h ARG 235 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1vlf h ARG 235 CO 0.03 0.38 0.06 0.37 -1.07 0.00 0.00 179.97 179.74 1vlf h GLN 236 N 0.00 0.68 -0.23 0.04 5.75 -1.09 0.15 115.11 120.41 1vlf h GLN 236 Ca -0.00 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1vlf h GLN 236 Cb 0.84 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 1vlf h GLN 236 CO 0.05 0.73 0.11 -1.49 -2.65 0.00 0.00 178.83 175.57 1vlf h TRP 237 N 0.54 0.33 -0.41 3.99 6.55 -0.76 -0.09 115.95 126.10 1vlf h TRP 237 Ca 0.12 -0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.96 1vlf h TRP 237 Cb 0.38 -0.10 -0.02 0.00 -0.86 0.00 0.00 29.16 28.55 1vlf h TRP 237 CO 0.03 0.33 0.26 -0.07 -1.05 0.00 0.00 178.44 177.93 1vlf h LEU 238 N 0.23 0.43 -0.61 -4.49 3.38 -1.14 -0.72 115.31 112.40 1vlf h LEU 238 Ca 0.08 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1vlf h LEU 238 Cb 0.13 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1vlf h LEU 238 CO -0.01 0.31 0.38 0.50 0.09 0.00 0.00 178.44 179.72 1vlf h LYS 239 N 0.52 0.73 0.00 1.13 3.64 -0.50 -0.82 116.57 121.28 1vlf h LYS 239 Ca 0.16 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1vlf h LYS 239 Cb -0.03 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1vlf h LYS 239 CO -0.05 0.48 0.00 -0.44 -2.27 0.00 0.00 179.45 177.17 1vlf h ASP 240 N 0.75 0.00 0.37 4.20 3.32 -0.51 -1.79 116.42 122.76 1vlf h ASP 240 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1vlf h ASP 240 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1vlf h ASP 240 CO -0.09 0.00 -0.18 0.18 -1.72 0.00 0.00 179.24 177.42 1vlf n LEU 241 N -2.57 0.62 0.00 1.55 4.77 -0.32 -4.92 117.00 116.13 1vlf n LEU 241 Ca 0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1vlf n LEU 241 Cb 0.26 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1vlf n LEU 241 CO 0.23 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1vlf n GLY 242 N 1.33 0.84 3.71 -0.72 0.00 -0.67 -5.06 105.19 104.61 1vlf n GLY 242 Ca 0.13 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1vlf n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vlf s VAL 243 N -2.00 4.42 0.13 1.61 1.01 -0.79 -4.94 120.40 119.85 1vlf s VAL 243 Ca 0.00 1.74 -0.24 0.00 0.00 0.00 0.00 61.98 63.48 1vlf s VAL 243 Cb 0.00 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 1vlf s VAL 243 CO 0.00 0.12 0.73 -1.81 0.00 0.00 0.00 175.10 174.14 1vlf s ASP 244 N 1.07 7.30 -0.22 3.32 1.01 -0.97 -4.54 116.67 123.64 1vlf s ASP 244 Ca 0.55 1.53 -0.02 0.00 0.71 0.00 0.00 52.55 55.32 1vlf s ASP 244 Cb -0.25 -2.46 0.01 0.00 1.01 0.00 0.00 42.92 41.22 1vlf s ASP 244 CO 0.28 0.20 -0.08 -0.36 0.21 0.00 0.00 175.17 175.42 1vlf s PHE 245 N -0.99 2.95 -0.13 4.23 2.99 -1.26 -0.84 117.98 124.92 1vlf s PHE 245 Ca 0.35 -1.22 -0.01 0.00 0.00 0.00 0.00 56.93 56.05 1vlf s PHE 245 Cb -0.22 -2.06 -0.02 0.00 0.00 0.00 0.00 43.02 40.72 1vlf s PHE 245 CO 0.24 -0.64 -0.11 0.08 -0.00 0.00 0.00 175.22 174.79 1vlf s VAL 246 N 1.41 3.25 -0.12 -0.44 1.01 -0.58 -0.78 120.40 124.14 1vlf s VAL 246 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1vlf s VAL 246 Cb -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1vlf s VAL 246 CO -0.05 0.52 -0.13 -0.36 0.00 0.00 0.00 175.10 175.07 1vlf s PHE 247 N 0.33 2.81 -0.28 5.22 0.40 0.57 -0.19 117.98 126.84 1vlf s PHE 247 Ca -0.09 -0.60 0.03 0.00 -0.60 0.00 0.00 56.93 55.67 1vlf s PHE 247 Cb -0.15 -1.83 0.07 0.00 0.51 0.00 0.00 43.02 41.62 1vlf s PHE 247 CO 0.05 -0.18 -0.07 0.42 0.70 0.00 0.00 175.22 176.14 1vlf s ILE 248 N 0.26 2.15 -0.28 0.64 1.01 -0.33 0.54 121.20 125.19 1vlf s ILE 248 Ca -0.09 -1.77 -0.18 0.00 0.00 0.00 0.00 60.65 58.61 1vlf s ILE 248 Cb -0.15 -2.34 0.10 0.00 0.01 0.00 0.00 42.46 40.08 1vlf s ILE 248 CO 0.05 -0.16 0.82 -0.62 0.00 0.00 0.00 174.94 175.03 1vlf s ASP 249 N 1.08 -0.73 0.44 3.58 -1.08 -0.24 -1.52 116.67 118.20 1vlf s ASP 249 Ca -0.05 1.23 0.18 0.00 -0.52 0.00 0.00 52.55 53.39 1vlf s ASP 249 Cb -0.20 1.29 1.11 0.00 -1.46 0.00 0.00 42.92 43.66 1vlf s ASP 249 CO -0.06 -0.20 1.92 -0.65 0.52 0.00 0.00 175.17 176.71 1vlf h PRO 250 N 6.10 0.34 -5.69 4.34 0.11 -1.78 -3.35 132.00 132.06 1vlf h PRO 250 Ca -0.29 -0.02 -0.66 0.00 0.11 0.00 0.00 66.00 65.14 1vlf h PRO 250 Cb 1.20 -0.08 -0.18 0.00 0.11 0.00 0.00 31.00 32.05 1vlf h PRO 250 CO 0.15 0.22 -0.65 -1.58 -0.21 0.00 0.00 178.00 175.93 1vlf s HIS 251 N -5.35 3.08 -0.96 0.65 5.65 -1.26 -3.99 115.29 113.11 1vlf s HIS 251 Ca -0.07 -0.03 -0.24 0.00 0.25 0.00 0.00 55.06 54.96 1vlf s HIS 251 Cb 0.21 -1.86 -0.02 0.00 -1.18 0.00 0.00 32.58 29.73 1vlf s HIS 251 CO 0.76 0.23 1.78 1.41 -0.65 0.00 0.00 174.74 178.28 1vlf s MET 252 N -0.30 2.91 1.26 2.88 1.75 -0.49 -4.93 119.30 122.38 1vlf s MET 252 Ca 0.06 -0.62 -0.17 0.00 -1.25 0.00 0.00 55.69 53.70 1vlf s MET 252 Cb -0.12 -5.17 0.31 0.00 2.84 0.00 0.00 34.83 32.69 1vlf s MET 252 CO 0.02 -3.01 1.00 0.54 -0.65 0.00 0.00 175.02 172.92 1vlf s ASN 253 N 6.93 0.23 0.46 1.11 2.20 -1.26 -4.61 114.94 120.00 1vlf s ASN 253 Ca 0.62 1.14 0.17 0.00 -0.94 0.00 0.00 52.86 53.85 1vlf s ASN 253 Cb -0.04 -1.72 1.09 0.00 -2.00 0.00 0.00 41.25 38.58 1vlf s ASN 253 CO -0.03 -4.61 2.00 0.45 -2.94 0.00 0.00 177.10 171.97 1vlf h HIS 254 N -2.90 0.00 -0.06 1.54 3.86 -1.94 -0.11 115.15 115.53 1vlf h HIS 254 Ca -0.53 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.43 1vlf h HIS 254 Cb 1.34 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.82 1vlf h HIS 254 CO -1.30 0.19 -0.92 1.15 0.86 0.00 0.00 177.93 177.91 1vlf h THR 255 N 0.00 1.29 -0.60 2.45 2.02 -1.91 -2.99 112.91 113.17 1vlf h THR 255 Ca -0.00 -2.14 -0.08 0.00 0.77 0.00 0.00 66.41 64.95 1vlf h THR 255 Cb 0.36 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1vlf h THR 255 CO 0.02 0.67 0.06 0.00 0.37 0.00 0.00 175.52 176.65 1vlf h ALA 256 N 0.50 0.80 0.00 6.16 0.00 -1.76 -0.15 119.26 124.82 1vlf h ALA 256 Ca -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1vlf h ALA 256 Cb 1.56 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1vlf h ALA 256 CO 0.18 0.59 -0.05 0.00 0.00 0.00 0.00 179.25 179.97 1vlf h ARG 257 N 0.92 0.00 0.02 0.00 3.08 -1.06 -0.33 114.38 117.02 1vlf h ARG 257 Ca 0.18 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.96 1vlf h ARG 257 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1vlf h ARG 257 CO 0.02 0.05 -1.46 -0.11 -1.07 0.00 0.00 179.97 177.40 1vlf n LEU 258 N -3.76 2.01 -0.04 3.04 7.94 -0.87 -4.78 117.00 120.55 1vlf n LEU 258 Ca -0.02 0.38 0.01 0.00 -1.11 0.00 0.00 56.01 55.26 1vlf n LEU 258 Cb 0.15 -0.99 0.01 0.00 0.53 0.00 0.00 43.42 43.12 1vlf n LEU 258 CO 0.28 0.40 0.38 1.33 -1.11 0.00 0.00 177.39 178.67 1vlf n VAL 259 N -4.24 0.56 -1.95 1.96 0.24 -0.12 -5.09 118.33 109.68 1vlf n VAL 259 Ca -0.33 -0.59 -0.41 0.00 -2.04 0.00 0.00 64.34 60.97 1vlf n VAL 259 Cb 0.76 0.67 -0.02 0.00 -1.47 0.00 0.00 33.84 33.78 1vlf n VAL 259 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vlf s ALA 260 N -0.63 3.66 -0.11 2.33 0.00 -0.14 -4.71 121.76 122.16 1vlf s ALA 260 Ca 0.02 1.39 0.21 0.00 0.00 0.00 0.00 51.96 53.58 1vlf s ALA 260 Cb 0.02 -3.58 -0.23 0.00 0.00 0.00 0.00 23.12 19.33 1vlf s ALA 260 CO 0.00 -0.80 0.58 -0.25 0.00 0.00 0.00 175.76 175.29 1vlf n ASP 261 N 2.32 0.30 -3.63 0.00 9.92 0.04 -4.95 116.55 120.55 1vlf n ASP 261 Ca 0.07 0.12 -0.12 0.00 -0.53 0.00 0.00 54.79 54.33 1vlf n ASP 261 Cb 0.40 1.26 -0.07 0.00 -0.64 0.00 0.00 41.12 42.06 1vlf n ASP 261 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1vlf s LYS 262 N -3.24 0.71 -0.07 -1.24 2.47 -1.17 -5.02 119.74 112.17 1vlf s LYS 262 Ca -0.06 0.80 0.02 0.00 -1.56 0.00 0.00 55.97 55.17 1vlf s LYS 262 Cb 0.11 0.34 0.01 0.00 -1.46 0.00 0.00 37.83 36.84 1vlf s LYS 262 CO 0.86 -0.09 -0.12 -0.46 0.16 0.00 0.00 175.35 175.70 1vlf s TRP 263 N 0.23 1.45 -0.09 4.03 -0.00 -1.26 -0.32 118.94 122.98 1vlf s TRP 263 Ca 0.01 -0.54 -0.01 0.00 -0.00 0.00 0.00 56.10 55.56 1vlf s TRP 263 Cb -0.05 -1.07 -0.03 0.00 -0.00 0.00 0.00 33.47 32.32 1vlf s TRP 263 CO -0.02 -0.29 -0.05 -0.06 -0.00 0.00 0.00 176.95 176.54 1vlf s PHE 264 N 0.72 3.00 -0.62 5.86 0.40 0.19 -4.98 117.98 122.56 1vlf s PHE 264 Ca -0.14 -0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.20 1vlf s PHE 264 Cb -0.16 -1.79 0.16 0.00 0.51 0.00 0.00 43.02 41.74 1vlf s PHE 264 CO 0.03 0.26 0.41 0.45 0.70 0.00 0.00 175.22 177.07 1vlf s SER 265 N -0.51 4.35 0.54 1.36 0.15 -1.26 -1.08 113.70 117.26 1vlf s SER 265 Ca 0.08 -3.50 -0.18 0.00 0.70 0.00 0.00 55.95 53.04 1vlf s SER 265 Cb -0.12 -1.50 -0.06 0.00 -1.71 0.00 0.00 66.02 62.63 1vlf s SER 265 CO 0.02 -0.14 1.06 -2.16 1.20 0.00 0.00 173.24 173.22 1vlf s PRO 266 N -0.93 3.52 0.67 5.44 0.04 -1.26 -4.68 135.00 137.80 1vlf s PRO 266 Ca 0.23 1.35 -0.16 0.00 0.04 0.00 0.00 61.00 62.47 1vlf s PRO 266 Cb -0.11 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1vlf s PRO 266 CO -0.12 -0.66 1.15 0.15 0.04 0.00 0.00 177.00 177.56 1vlf s LYS 267 N -3.55 2.65 0.47 4.56 1.02 -0.52 -4.18 119.74 120.18 1vlf s LYS 267 Ca 0.67 1.57 -0.24 0.00 0.02 0.00 0.00 55.97 57.99 1vlf s LYS 267 Cb -0.18 -1.92 -0.08 0.00 -0.52 0.00 0.00 37.83 35.13 1vlf s LYS 267 CO 0.28 -1.40 1.20 0.44 -0.92 0.00 0.00 175.35 174.95 1vlf n ILE 268 N -2.34 2.90 -1.30 2.17 -5.35 -1.26 -2.57 119.36 111.61 1vlf n ILE 268 Ca 0.12 -0.50 -0.10 0.00 -0.27 0.00 0.00 62.75 62.00 1vlf n ILE 268 Cb 0.51 -1.46 -0.04 0.00 -1.74 0.00 0.00 39.64 36.91 1vlf n ILE 268 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vlf n GLY 269 N 0.93 1.12 0.01 3.28 0.00 -1.26 -4.63 105.19 104.63 1vlf n GLY 269 Ca 0.09 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.82 1vlf n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vlf n THR 270 N -2.55 1.05 -0.25 2.61 -2.24 -1.06 -4.33 114.28 107.52 1vlf n THR 270 Ca -0.10 -1.09 -0.03 0.00 -2.27 0.00 0.00 64.05 60.56 1vlf n THR 270 Cb 0.41 0.44 0.09 0.00 -2.10 0.00 0.00 70.33 69.18 1vlf n THR 270 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1vlf h ASP 271 N 0.00 0.67 0.13 3.42 5.19 -1.90 -1.85 116.42 122.08 1vlf h ASP 271 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1vlf h ASP 271 Cb 0.56 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1vlf h ASP 271 CO 0.00 0.46 0.00 1.12 -3.12 0.00 0.00 179.24 177.70 1vlf h HIS 272 N 0.81 0.00 -0.55 4.55 2.07 -1.87 0.79 115.15 120.95 1vlf h HIS 272 Ca 0.29 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.70 1vlf h HIS 272 Cb 0.08 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.04 1vlf h HIS 272 CO -0.05 0.00 -0.11 0.00 -3.07 0.00 0.00 177.93 174.70 1vlf h ALA 273 N 2.01 0.75 -0.34 6.11 0.00 -1.69 -0.76 119.26 125.33 1vlf h ALA 273 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1vlf h ALA 273 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1vlf h ALA 273 CO 0.00 0.67 -0.14 -0.07 0.00 0.00 0.00 179.25 179.71 1vlf h LEU 274 N 0.92 0.71 -0.91 0.00 3.38 -0.92 -1.74 115.31 116.75 1vlf h LEU 274 Ca 0.14 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1vlf h LEU 274 Cb 0.68 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1vlf h LEU 274 CO 0.05 0.95 0.00 0.77 0.09 0.00 0.00 178.44 180.30 1vlf h SER 275 N 0.48 0.77 -0.06 -0.43 4.64 -1.34 0.32 113.55 117.92 1vlf h SER 275 Ca 0.08 -0.19 -0.10 0.00 -0.47 0.00 0.00 61.79 61.12 1vlf h SER 275 Cb 0.66 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1vlf h SER 275 CO 0.04 0.83 -0.25 -0.26 -0.87 0.00 0.00 176.83 176.33 1vlf h PHE 276 N 0.75 0.56 -0.05 4.77 -1.00 -1.04 -1.14 116.94 119.78 1vlf h PHE 276 Ca 0.15 -0.12 -0.17 0.00 2.81 0.00 0.00 57.97 60.64 1vlf h PHE 276 Cb 0.45 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1vlf h PHE 276 CO 0.02 0.71 -0.71 0.00 -1.61 0.00 0.00 178.31 176.72 1vlf h ALA 277 N 1.29 0.69 -0.26 2.45 0.00 -0.80 0.11 119.26 122.74 1vlf h ALA 277 Ca 0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 1vlf h ALA 277 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1vlf h ALA 277 CO 0.05 0.79 -0.19 0.82 0.00 0.00 0.00 179.25 180.72 1vlf h ILE 278 N 0.18 1.31 -0.65 0.00 2.04 -0.71 -1.81 117.51 117.87 1vlf h ILE 278 Ca -0.02 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.46 1vlf h ILE 278 Cb 1.27 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1vlf h ILE 278 CO 0.11 0.42 0.19 0.00 0.00 0.00 0.00 178.15 178.87 1vlf h ALA 279 N 0.71 1.11 -0.48 1.87 0.00 -1.13 -2.04 119.26 119.30 1vlf h ALA 279 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1vlf h ALA 279 Cb 0.73 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1vlf h ALA 279 CO 0.05 0.61 0.31 -0.92 0.00 0.00 0.00 179.25 179.29 1vlf h TYR 280 N 0.97 0.58 -0.41 0.00 3.20 -0.79 -0.93 116.97 119.59 1vlf h TYR 280 Ca 0.21 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1vlf h TYR 280 Cb 0.29 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1vlf h TYR 280 CO 0.02 0.35 0.26 1.15 -1.64 0.00 0.00 178.16 178.31 1vlf h THR 281 N 0.62 1.11 -0.76 1.81 2.02 -0.93 -0.93 112.91 115.86 1vlf h THR 281 Ca 0.18 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1vlf h THR 281 Cb -0.04 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1vlf h THR 281 CO -0.06 0.11 0.27 -0.50 0.37 0.00 0.00 175.52 175.72 1vlf h TRP 282 N 0.55 1.17 -0.32 3.16 6.55 -1.04 -0.57 115.95 125.45 1vlf h TRP 282 Ca 0.15 -0.10 -0.06 0.00 0.95 0.00 0.00 58.89 59.84 1vlf h TRP 282 Cb -0.04 -0.35 -0.01 0.00 -0.86 0.00 0.00 29.16 27.90 1vlf h TRP 282 CO -0.04 0.90 -0.01 -0.07 -1.05 0.00 0.00 178.44 178.17 1vlf h LEU 283 N 1.11 0.57 -1.14 -4.49 3.38 -0.88 0.33 115.31 114.19 1vlf h LEU 283 Ca 0.25 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1vlf h LEU 283 Cb 0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1vlf h LEU 283 CO -0.02 0.75 -0.10 0.11 0.09 0.00 0.00 178.44 179.27 1vlf h LYS 284 N 0.38 0.48 -0.49 1.13 1.79 -0.97 -3.00 116.57 115.88 1vlf h LYS 284 Ca 0.09 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1vlf h LYS 284 Cb 0.47 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1vlf h LYS 284 CO 0.02 0.58 0.00 0.39 -1.08 0.00 0.00 179.45 179.36 1vlf n GLU 285 N -4.22 2.54 -3.61 3.15 1.02 -0.24 -4.96 120.64 114.32 1vlf n GLU 285 Ca 0.01 -2.33 -0.27 0.00 -0.02 0.00 0.00 57.16 54.55 1vlf n GLU 285 Cb 0.30 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1vlf n GLU 285 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1vlf n ASP 286 N 1.34 -3.90 -3.89 1.62 9.92 0.98 -4.89 116.55 117.73 1vlf n ASP 286 Ca 0.19 -0.57 -0.40 0.00 -0.53 0.00 0.00 54.79 53.49 1vlf n ASP 286 Cb 0.56 -3.19 -0.01 0.00 -0.64 0.00 0.00 41.12 37.84 1vlf n ASP 286 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1vlf n SER 287 N -2.45 5.88 -3.60 -2.24 3.41 -0.22 -4.97 113.62 109.43 1vlf n SER 287 Ca 0.01 -3.42 -0.07 0.00 -0.26 0.00 0.00 58.87 55.13 1vlf n SER 287 Cb 0.53 -1.15 -0.01 0.00 -0.26 0.00 0.00 64.21 63.32 1vlf n SER 287 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1vlf s TYR 288 N -2.71 -0.10 -1.16 7.33 1.13 -1.26 -4.78 117.35 115.80 1vlf s TYR 288 Ca 0.33 -0.41 -0.20 0.00 -1.41 0.00 0.00 57.07 55.38 1vlf s TYR 288 Cb 0.07 0.74 0.07 0.00 -1.10 0.00 0.00 41.96 41.74 1vlf s TYR 288 CO 0.08 -1.30 1.56 0.34 -2.51 0.00 0.00 175.55 173.72 1vlf s ASP 289 N -2.97 6.71 0.23 -0.18 -1.08 0.13 -4.83 116.67 114.67 1vlf s ASP 289 Ca 0.12 -2.07 -0.08 0.00 -0.52 0.00 0.00 52.55 50.00 1vlf s ASP 289 Cb -0.05 -2.55 0.22 0.00 -1.46 0.00 0.00 42.92 39.07 1vlf s ASP 289 CO 0.08 -1.27 1.89 0.11 0.52 0.00 0.00 175.17 176.50 1vlf h LYS 290 N 8.51 1.09 -0.39 4.34 1.57 -1.95 -1.52 116.57 128.21 1vlf h LYS 290 Ca 0.32 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1vlf h LYS 290 Cb 0.94 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1vlf h LYS 290 CO 1.41 0.72 0.24 0.93 -0.57 0.00 0.00 179.45 182.18 1vlf h GLU 291 N 1.12 0.53 -0.03 3.15 3.07 -1.98 -0.07 114.58 120.37 1vlf h GLU 291 Ca 0.32 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 1vlf h GLU 291 Cb -0.08 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.71 1vlf h GLU 291 CO -0.08 0.39 0.01 -0.92 -1.40 0.00 0.00 179.01 177.01 1vlf h TYR 292 N 0.52 0.02 -0.71 4.33 3.20 -1.89 -2.66 116.97 119.79 1vlf h TYR 292 Ca 0.14 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1vlf h TYR 292 Cb -0.01 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1vlf h TYR 292 CO -0.04 0.01 0.34 0.28 -1.64 0.00 0.00 178.16 177.11 1vlf h VAL 293 N 0.03 1.23 0.00 1.81 2.07 -1.07 0.31 116.25 120.64 1vlf h VAL 293 Ca 0.01 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1vlf h VAL 293 Cb 0.00 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1vlf h VAL 293 CO -0.01 0.28 -0.05 0.00 0.02 0.00 0.00 177.57 177.80 1vlf h ALA 294 N 1.16 1.88 0.01 1.67 0.00 -0.87 -1.66 119.26 121.45 1vlf h ALA 294 Ca 0.24 -0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.76 1vlf h ALA 294 Cb 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1vlf h ALA 294 CO -0.03 0.06 -2.19 0.00 0.00 0.00 0.00 179.25 177.10 1vlf n ALA 295 N -2.52 1.47 -0.11 0.00 0.00 -0.90 -4.62 120.51 113.83 1vlf n ALA 295 Ca -0.03 -1.12 0.05 0.00 0.00 0.00 0.00 53.44 52.34 1vlf n ALA 295 Cb 0.13 -0.39 0.13 0.00 0.00 0.00 0.00 19.45 19.33 1vlf n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vlf n ASN 296 N -2.91 2.78 -4.31 0.00 3.02 0.11 -4.99 115.26 108.95 1vlf n ASN 296 Ca -0.29 -1.95 -0.28 0.00 -0.03 0.00 0.00 54.58 52.03 1vlf n ASN 296 Cb 1.11 -0.20 -0.14 0.00 -0.61 0.00 0.00 39.78 39.94 1vlf n ASN 296 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vlf s ALA 297 N -0.99 2.06 -0.10 5.41 0.00 -0.63 -0.91 121.76 126.60 1vlf s ALA 297 Ca 0.21 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.97 1vlf s ALA 297 Cb 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1vlf s ALA 297 CO 0.15 0.47 -0.23 -1.58 0.00 0.00 0.00 175.76 174.57 1vlf s HIS 298 N -0.90 2.43 -0.31 0.00 2.46 0.92 -4.66 115.29 115.24 1vlf s HIS 298 Ca 0.10 -0.99 0.00 0.00 0.47 0.00 0.00 55.06 54.64 1vlf s HIS 298 Cb -0.10 -1.64 0.00 0.00 -0.13 0.00 0.00 32.58 30.72 1vlf s HIS 298 CO 0.03 -0.41 0.00 0.41 -2.47 0.00 0.00 174.74 172.30 1vlf n GLY 299 N 3.56 0.61 0.27 1.59 0.00 -1.26 -1.13 105.19 108.83 1vlf n GLY 299 Ca -0.19 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.12 1vlf n GLY 299 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1vlf h PHE 300 N 0.00 0.67 -0.26 1.61 3.57 -1.92 -2.29 116.94 118.32 1vlf h PHE 300 Ca -0.06 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 1vlf h PHE 300 Cb 0.24 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1vlf h PHE 300 CO 0.11 0.69 0.16 0.93 -2.23 0.00 0.00 178.31 177.97 1vlf h GLU 301 N 0.58 0.35 -0.58 1.11 3.07 -1.96 0.26 114.58 117.41 1vlf h GLU 301 Ca 0.11 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.84 1vlf h GLU 301 Cb 0.49 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1vlf h GLU 301 CO 0.03 0.27 -0.02 0.93 -1.40 0.00 0.00 179.01 178.81 1vlf h GLU 302 N 0.34 1.02 -0.53 2.33 3.07 -1.96 -2.44 114.58 116.39 1vlf h GLU 302 Ca 0.09 -0.32 -0.05 0.00 -0.50 0.00 0.00 59.36 58.58 1vlf h GLU 302 Cb 0.00 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1vlf h GLU 302 CO -0.02 1.01 0.14 2.35 -1.40 0.00 0.00 179.01 181.09 1vlf h TRP 303 N 0.93 0.89 -0.70 4.33 7.01 -1.03 -2.17 115.95 125.21 1vlf h TRP 303 Ca 0.16 -0.10 0.04 0.00 2.11 0.00 0.00 58.89 61.10 1vlf h TRP 303 Cb 0.57 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 27.33 1vlf h TRP 303 CO 0.04 0.77 0.42 0.00 -2.79 0.00 0.00 178.44 176.88 1vlf h ALA 304 N 1.02 0.92 -0.29 2.65 0.00 -0.30 -0.54 119.26 122.71 1vlf h ALA 304 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1vlf h ALA 304 Cb 0.32 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1vlf h ALA 304 CO -0.00 0.17 0.03 -0.44 0.00 0.00 0.00 179.25 179.01 1vlf h ASP 305 N 0.81 0.39 -0.11 0.00 3.32 -1.13 -0.58 116.42 119.13 1vlf h ASP 305 Ca 0.29 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1vlf h ASP 305 Cb 0.07 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1vlf h ASP 305 CO -0.13 0.44 -0.00 0.22 -1.72 0.00 0.00 179.24 178.04 1vlf h TYR 306 N 0.42 0.22 -0.66 4.55 3.20 -0.57 -0.50 116.97 123.63 1vlf h TYR 306 Ca 0.10 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1vlf h TYR 306 Cb 0.23 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1vlf h TYR 306 CO 0.01 0.46 0.40 0.28 -1.64 0.00 0.00 178.16 177.66 1vlf h VAL 307 N -0.08 1.19 0.00 1.81 2.07 -0.67 -1.12 116.25 119.44 1vlf h VAL 307 Ca 0.03 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1vlf h VAL 307 Cb 0.37 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1vlf h VAL 307 CO 0.01 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.97 1vlf n LEU 308 N -4.40 0.00 0.00 2.57 4.77 -0.27 -1.92 117.00 117.75 1vlf n LEU 308 Ca 0.07 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1vlf n LEU 308 Cb 0.07 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1vlf n LEU 308 CO 0.37 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1vlf n GLY 309 N 0.62 0.57 0.17 -0.72 0.00 -0.42 -4.36 105.19 101.05 1vlf n GLY 309 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1vlf n GLY 309 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vlf h LYS 310 N 1.44 0.00 0.03 1.61 1.57 -1.30 -0.92 116.57 119.00 1vlf h LYS 310 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1vlf h LYS 310 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1vlf h LYS 310 CO 0.00 0.47 -1.93 0.25 -0.57 0.00 0.00 179.45 177.67 1vlf n THR 311 N -3.83 1.61 0.01 -0.16 -2.24 -1.24 -4.46 114.28 103.98 1vlf n THR 311 Ca -0.01 -0.76 0.03 0.00 -2.27 0.00 0.00 64.05 61.04 1vlf n THR 311 Cb 0.51 -1.14 0.07 0.00 -2.10 0.00 0.00 70.33 67.68 1vlf n THR 311 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1vlf n ASP 312 N -3.12 2.25 -0.18 3.42 3.85 -1.25 -4.98 116.55 116.54 1vlf n ASP 312 Ca -0.25 -1.77 -0.02 0.00 -0.71 0.00 0.00 54.79 52.04 1vlf n ASP 312 Cb 1.06 -0.10 -0.01 0.00 -1.35 0.00 0.00 41.12 40.73 1vlf n ASP 312 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vlf n GLY 313 N 0.19 0.44 2.85 6.12 0.00 -0.36 -4.97 105.19 109.47 1vlf n GLY 313 Ca 0.06 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1vlf n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vlf s THR 314 N -1.66 1.61 0.23 2.61 2.01 -1.19 -5.00 115.64 114.24 1vlf s THR 314 Ca 0.00 -2.09 -0.31 0.00 0.31 0.00 0.00 61.69 59.61 1vlf s THR 314 Cb 0.00 -2.18 -0.10 0.00 0.01 0.00 0.00 72.50 70.23 1vlf s THR 314 CO 0.00 -0.69 1.52 -2.84 -0.69 0.00 0.00 174.62 171.91 1vlf s PRO 315 N 1.00 4.22 -1.44 4.92 0.02 -1.26 -3.97 135.00 138.49 1vlf s PRO 315 Ca 0.12 2.38 -0.10 0.00 0.02 0.00 0.00 61.00 63.42 1vlf s PRO 315 Cb -0.20 -3.11 0.05 0.00 0.02 0.00 0.00 34.50 31.26 1vlf s PRO 315 CO -0.13 -0.53 2.41 1.63 -0.33 0.00 0.00 177.00 180.05 1vlf n LYS 316 N 2.88 3.65 -1.58 5.54 4.76 -0.81 -4.85 118.16 127.75 1vlf n LYS 316 Ca 0.10 -2.87 -0.29 0.00 -2.87 0.00 0.00 58.31 52.37 1vlf n LYS 316 Cb 0.39 -2.92 0.10 0.00 -1.84 0.00 0.00 35.03 30.76 1vlf n LYS 316 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1vlf s THR 317 N 1.34 2.68 0.35 -0.18 -4.23 -1.26 -3.80 115.64 110.53 1vlf s THR 317 Ca 0.54 0.22 0.16 0.00 -1.18 0.00 0.00 61.69 61.43 1vlf s THR 317 Cb 0.15 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 71.14 1vlf s THR 317 CO -0.06 -0.29 1.86 0.00 -0.54 0.00 0.00 174.62 175.59 1vlf h GLU 319 N 0.00 0.80 -0.39 0.00 3.07 -1.93 -0.49 114.58 115.64 1vlf h GLU 319 Ca -0.00 -0.46 -0.02 0.00 -0.50 0.00 0.00 59.36 58.38 1vlf h GLU 319 Cb 0.62 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 1vlf h GLU 319 CO 0.04 1.09 0.17 2.35 -1.40 0.00 0.00 179.01 181.26 1vlf h TRP 320 N 0.57 0.58 -0.79 4.33 7.01 -1.75 -1.75 115.95 124.14 1vlf h TRP 320 Ca 0.04 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 1vlf h TRP 320 Cb 0.99 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.84 1vlf h TRP 320 CO 0.07 0.50 0.47 0.00 -2.79 0.00 0.00 178.44 176.70 1vlf h ALA 321 N 1.02 1.35 -0.69 2.65 0.00 -0.92 -2.02 119.26 120.66 1vlf h ALA 321 Ca 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1vlf h ALA 321 Cb 0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1vlf h ALA 321 CO -0.01 0.56 0.24 1.49 0.00 0.00 0.00 179.25 181.53 1vlf h GLU 322 N 1.09 1.05 -0.42 0.00 4.81 -0.71 0.49 114.58 120.89 1vlf h GLU 322 Ca 0.28 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1vlf h GLU 322 Cb -0.04 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1vlf h GLU 322 CO -0.05 0.89 0.18 1.49 -0.73 0.00 0.00 179.01 180.78 1vlf h GLU 323 N 0.99 0.59 0.00 1.92 4.81 -0.63 0.24 114.58 122.50 1vlf h GLU 323 Ca 0.22 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1vlf h GLU 323 Cb 0.26 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1vlf h GLU 323 CO -0.01 0.48 -0.00 0.93 -0.73 0.00 0.00 179.01 179.68 1vlf h GLU 324 N 0.59 -0.00 0.00 1.92 4.39 -0.98 -3.41 114.58 117.09 1vlf h GLU 324 Ca 0.15 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.68 1vlf h GLU 324 Cb 0.10 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1vlf h GLU 324 CO -0.02 0.90 -1.64 -1.13 -1.16 0.00 0.00 179.01 175.97 1vlf n SER 325 N -4.65 0.60 0.00 1.42 3.41 0.12 -4.77 113.62 109.75 1vlf n SER 325 Ca -0.10 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1vlf n SER 325 Cb 0.44 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 1vlf n SER 325 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vlf n GLY 326 N 1.42 0.83 3.70 5.00 0.00 0.84 -1.44 105.19 115.54 1vlf n GLY 326 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1vlf n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vlf s VAL 327 N -2.81 5.05 0.13 1.61 1.01 -1.26 -5.01 120.40 119.12 1vlf s VAL 327 Ca 0.00 1.29 -0.35 0.00 0.00 0.00 0.00 61.98 62.93 1vlf s VAL 327 Cb 0.00 -3.98 -0.16 0.00 0.00 0.00 0.00 36.38 32.24 1vlf s VAL 327 CO 0.00 0.21 1.30 -2.65 0.00 0.00 0.00 175.10 173.96 1vlf n PRO 328 N 4.21 1.26 -0.36 2.72 -0.02 -1.26 -4.09 135.00 137.47 1vlf n PRO 328 Ca -0.02 0.45 0.03 0.00 -2.02 0.00 0.00 63.50 61.95 1vlf n PRO 328 Cb 0.51 -2.06 0.19 0.00 -0.02 0.00 0.00 33.50 32.12 1vlf n PRO 328 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vlf h ALA 329 N 4.25 1.43 -0.82 3.55 0.00 -1.93 -2.41 119.26 123.33 1vlf h ALA 329 Ca -0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1vlf h ALA 329 Cb 1.33 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1vlf h ALA 329 CO 0.76 0.41 0.44 0.00 0.00 0.00 0.00 179.25 180.86 1vlf h GLU 331 N 1.14 0.43 -0.07 0.00 5.08 -1.82 -0.38 114.58 118.96 1vlf h GLU 331 Ca 0.29 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1vlf h GLU 331 Cb 0.04 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1vlf h GLU 331 CO -0.05 0.94 0.03 0.82 -1.00 0.00 0.00 179.01 179.76 1vlf h ILE 332 N 0.31 1.14 -0.73 3.13 2.04 -1.19 -0.52 117.51 121.69 1vlf h ILE 332 Ca -0.02 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1vlf h ILE 332 Cb 1.21 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 1vlf h ILE 332 CO 0.11 0.12 0.29 -0.09 0.00 0.00 0.00 178.15 178.59 1vlf h ARG 333 N -0.04 1.08 -0.74 2.37 2.43 -1.26 -0.68 114.38 117.53 1vlf h ARG 333 Ca 0.02 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 1vlf h ARG 333 Cb 0.16 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1vlf h ARG 333 CO -0.00 0.87 0.29 0.00 -1.51 0.00 0.00 179.97 179.62 1vlf h ALA 334 N 1.26 0.97 -0.16 2.80 0.00 -0.81 -1.01 119.26 122.30 1vlf h ALA 334 Ca 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1vlf h ALA 334 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1vlf h ALA 334 CO -0.02 0.60 0.04 1.25 0.00 0.00 0.00 179.25 181.12 1vlf h LEU 335 N 1.07 0.25 -0.20 0.00 5.85 -0.63 -1.86 115.31 119.79 1vlf h LEU 335 Ca 0.25 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1vlf h LEU 335 Cb 0.22 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1vlf h LEU 335 CO -0.02 0.41 -0.19 0.00 -0.34 0.00 0.00 178.44 178.30 1vlf h ALA 336 N 0.85 -0.07 -0.82 1.25 0.00 -0.79 0.29 119.26 119.98 1vlf h ALA 336 Ca 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1vlf h ALA 336 Cb 0.26 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1vlf h ALA 336 CO 0.00 -0.62 0.47 0.00 0.00 0.00 0.00 179.25 179.09 1vlf h ARG 337 N -0.21 1.13 -0.43 0.00 3.08 -1.13 -1.36 114.38 115.46 1vlf h ARG 337 Ca 0.12 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1vlf h ARG 337 Cb 0.39 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1vlf h ARG 337 CO -0.33 0.82 -0.26 0.37 -1.07 0.00 0.00 179.97 179.50 1vlf h GLN 338 N 1.13 0.94 -0.56 0.04 5.75 -0.81 -2.62 115.11 118.98 1vlf h GLN 338 Ca 0.29 -0.44 0.03 0.00 -0.15 0.00 0.00 58.65 58.39 1vlf h GLN 338 Cb 0.00 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 1vlf h GLN 338 CO -0.05 1.10 0.33 2.35 -2.65 0.00 0.00 178.83 179.90 1vlf h TRP 339 N 0.78 0.61 -0.47 3.99 2.91 -0.13 -1.60 115.95 122.03 1vlf h TRP 339 Ca 0.09 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.04 1vlf h TRP 339 Cb 0.84 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 29.28 1vlf h TRP 339 CO 0.06 0.33 -0.08 0.00 -1.03 0.00 0.00 178.44 177.71 1vlf h ALA 340 N 1.27 0.96 0.00 2.65 0.00 -1.12 -3.28 119.26 119.73 1vlf h ALA 340 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1vlf h ALA 340 Cb 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1vlf h ALA 340 CO -0.12 0.62 -0.80 1.57 0.00 0.00 0.00 179.25 180.51 1vlf h LYS 341 N 0.77 0.00 -6.21 0.00 2.10 -1.22 -3.48 116.57 108.53 1vlf h LYS 341 Ca 0.13 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.24 1vlf h LYS 341 Cb 0.58 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.85 1vlf h LYS 341 CO 0.04 0.00 -0.56 0.15 -2.00 0.00 0.00 179.45 177.07 1vlf s LYS 342 N -3.25 2.80 -0.56 0.07 -0.14 -0.62 -5.03 119.74 113.01 1vlf s LYS 342 Ca 0.03 -1.05 -0.27 0.00 -1.36 0.00 0.00 55.97 53.32 1vlf s LYS 342 Cb 0.12 -2.52 -0.01 0.00 -1.68 0.00 0.00 37.83 33.74 1vlf s LYS 342 CO 0.76 0.42 1.66 -0.80 -0.76 0.00 0.00 175.35 176.63 1vlf s ASN 343 N -3.55 5.72 -0.11 2.83 0.01 -1.26 -4.84 114.94 113.74 1vlf s ASN 343 Ca 0.32 0.42 0.01 0.00 -0.71 0.00 0.00 52.86 52.90 1vlf s ASN 343 Cb -0.08 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.02 1vlf s ASN 343 CO 0.23 -2.01 -0.15 -0.89 -1.51 0.00 0.00 177.10 172.77 1vlf s THR 344 N 7.48 2.88 -0.12 1.60 2.01 -1.01 -1.17 115.64 127.31 1vlf s THR 344 Ca 0.62 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 1vlf s THR 344 Cb -0.13 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1vlf s THR 344 CO 0.24 0.54 0.06 -0.31 -0.69 0.00 0.00 174.62 174.46 1vlf s TYR 345 N 0.13 3.33 -0.41 4.92 1.51 -0.47 -3.89 117.35 122.48 1vlf s TYR 345 Ca -0.08 0.28 -0.17 0.00 -1.01 0.00 0.00 57.07 56.10 1vlf s TYR 345 Cb -0.15 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.82 1vlf s TYR 345 CO 0.05 0.50 0.40 -1.17 -1.11 0.00 0.00 175.55 174.22 1vlf s LEU 346 N -0.69 4.85 -1.19 -1.29 2.96 -0.46 -1.26 118.68 121.60 1vlf s LEU 346 Ca 0.12 -0.65 -0.10 0.00 -0.22 0.00 0.00 54.13 53.28 1vlf s LEU 346 Cb -0.12 -2.34 0.22 0.00 0.50 0.00 0.00 46.19 44.45 1vlf s LEU 346 CO 0.02 -0.52 1.51 0.00 -1.32 0.00 0.00 176.35 176.04 1vlf n ALA 347 N 5.49 4.63 -2.61 5.97 0.00 0.51 -0.74 120.51 133.76 1vlf n ALA 347 Ca -0.08 -4.46 -0.43 0.00 0.00 0.00 0.00 53.44 48.47 1vlf n ALA 347 Cb 0.48 -2.77 -0.04 0.00 0.00 0.00 0.00 19.45 17.12 1vlf n ALA 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vlf s ALA 348 N -0.22 3.43 0.00 0.00 0.00 -1.26 -1.25 121.76 122.45 1vlf s ALA 348 Ca 0.37 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1vlf s ALA 348 Cb 0.01 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1vlf s ALA 348 CO 0.01 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 174.62 1vlf n GLY 349 N 4.32 -2.22 0.22 0.00 0.00 -0.53 -0.34 105.19 106.64 1vlf n GLY 349 Ca 0.07 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.73 1vlf n GLY 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vlf h GLY 350 N 0.00 0.00 0.28 -0.02 0.00 -1.71 -3.33 103.07 98.28 1vlf h GLY 350 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1vlf h GLY 350 CO 0.00 0.00 -2.08 -0.10 0.00 0.00 0.00 176.54 174.36 1vlf n LEU 351 N -3.10 0.24 0.00 3.11 7.94 -1.26 -3.95 117.00 119.98 1vlf n LEU 351 Ca 0.04 0.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1vlf n LEU 351 Cb 0.52 0.30 0.00 0.00 0.53 0.00 0.00 43.42 44.76 1vlf n LEU 351 CO 0.34 0.34 0.00 0.61 -1.11 0.00 0.00 177.39 177.56 1vlf n GLY 352 N 1.58 0.77 0.00 -3.96 0.00 -1.25 -4.53 105.19 97.80 1vlf n GLY 352 Ca -0.22 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1vlf n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vlf n GLY 353 N 0.00 -0.06 7.00 -0.02 0.00 0.54 -4.19 105.19 108.46 1vlf n GLY 353 Ca 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.74 1vlf n GLY 353 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1vlf n TRP 354 N -0.55 -0.29 0.00 1.61 8.01 -1.26 -3.67 117.44 121.28 1vlf n TRP 354 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1vlf n TRP 354 Cb 0.00 0.09 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 1vlf n TRP 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1vlf n GLY 355 N 0.00 2.93 0.34 6.99 0.00 -1.26 -4.08 105.19 110.11 1vlf n GLY 355 Ca 0.00 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.69 1vlf n GLY 355 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vlf h GLY 356 N 0.00 0.33 2.00 -0.02 0.00 -1.95 -0.19 103.07 103.25 1vlf h GLY 356 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1vlf h GLY 356 CO 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 176.54 176.57 1vlf h ALA 357 N 1.76 1.56 0.00 3.60 0.00 -1.89 -2.37 119.26 121.92 1vlf h ALA 357 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1vlf h ALA 357 Cb 0.52 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1vlf h ALA 357 CO -0.04 0.05 -0.06 0.00 0.00 0.00 0.00 179.25 179.19 1vlf n ARG 359 N -3.14 3.29 -4.03 0.00 1.85 -0.89 0.09 116.66 113.82 1vlf n ARG 359 Ca 0.02 -4.66 -0.10 0.00 -1.00 0.00 0.00 57.85 52.11 1vlf n ARG 359 Cb 0.43 -2.34 -0.06 0.00 -1.05 0.00 0.00 32.46 29.44 1vlf n ARG 359 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vlf s ALA 360 N -2.74 0.07 0.61 2.89 0.00 -1.24 -1.27 121.76 120.08 1vlf s ALA 360 Ca 0.38 -1.07 0.41 0.00 0.00 0.00 0.00 51.96 51.68 1vlf s ALA 360 Cb 0.13 1.12 2.24 0.00 0.00 0.00 0.00 23.12 26.61 1vlf s ALA 360 CO 0.01 -0.81 2.32 0.66 0.00 0.00 0.00 175.76 177.94 1vlf h SER 361 N 2.28 0.00 -0.45 0.00 4.64 -1.85 -0.09 113.55 118.08 1vlf h SER 361 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1vlf h SER 361 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1vlf h SER 361 CO 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.35 1vlf n HIS 362 N -3.24 0.83 -0.33 4.77 1.44 -1.26 -4.54 115.22 112.89 1vlf n HIS 362 Ca -0.03 -0.59 0.10 0.00 -2.01 0.00 0.00 57.72 55.20 1vlf n HIS 362 Cb 0.09 -0.12 0.28 0.00 0.12 0.00 0.00 29.99 30.36 1vlf n HIS 362 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 1vlf h GLY 363 N 2.74 1.61 0.94 -1.39 0.00 -1.06 -1.23 103.07 104.67 1vlf h GLY 363 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1vlf h GLY 363 CO 0.09 -0.05 0.14 -2.22 0.00 0.00 0.00 176.54 174.49 1vlf h ILE 364 N 0.70 1.21 0.00 2.60 2.04 -1.81 -2.15 117.51 120.10 1vlf h ILE 364 Ca 0.53 -0.66 -0.13 0.00 1.00 0.00 0.00 64.86 65.60 1vlf h ILE 364 Cb 0.79 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1vlf h ILE 364 CO -0.38 0.24 -0.61 -0.33 0.00 0.00 0.00 178.15 177.07 1vlf h GLU 365 N 0.50 0.00 -0.13 2.37 4.39 -1.82 -2.17 114.58 117.72 1vlf h GLU 365 Ca 0.13 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1vlf h GLU 365 Cb 0.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1vlf h GLU 365 CO -0.01 0.61 -0.01 2.35 -1.16 0.00 0.00 179.01 180.79 1vlf h TRP 366 N 0.00 0.26 -0.37 4.33 7.01 -1.12 0.41 115.95 126.47 1vlf h TRP 366 Ca -0.01 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.95 1vlf h TRP 366 Cb 1.30 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 28.27 1vlf h TRP 366 CO 0.00 0.50 0.24 0.00 -2.79 0.00 0.00 178.44 176.39 1vlf h ALA 367 N 0.73 0.47 -0.01 2.65 0.00 -1.39 -0.51 119.26 121.19 1vlf h ALA 367 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1vlf h ALA 367 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1vlf h ALA 367 CO 0.01 -0.06 -0.32 0.00 0.00 0.00 0.00 179.25 178.87 1vlf h ARG 368 N 0.50 0.02 -0.39 0.00 3.08 -1.35 -2.03 114.38 114.21 1vlf h ARG 368 Ca 0.14 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 1vlf h ARG 368 Cb -0.05 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1vlf h ARG 368 CO -0.03 0.34 -0.35 0.78 -1.07 0.00 0.00 179.97 179.65 1vlf h GLY 369 N 0.98 0.99 1.23 0.04 0.00 -0.25 1.00 103.07 107.06 1vlf h GLY 369 Ca -0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 47.33 46.30 1vlf h GLY 369 CO 0.04 0.88 0.13 -0.33 0.00 0.00 0.00 176.54 177.26 1vlf h MET 370 N 0.75 0.96 -0.39 4.80 2.86 -0.68 -0.91 114.93 122.32 1vlf h MET 370 Ca 0.07 -0.22 -0.14 0.00 -2.06 0.00 0.00 59.70 57.36 1vlf h MET 370 Cb 0.93 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1vlf h MET 370 CO 0.09 0.86 -0.29 0.82 1.06 0.00 0.00 176.91 179.44 1vlf h ILE 371 N 0.91 1.28 -0.26 -1.22 2.04 -1.19 -1.71 117.51 117.37 1vlf h ILE 371 Ca 0.19 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1vlf h ILE 371 Cb 0.35 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1vlf h ILE 371 CO 0.00 0.49 0.17 0.00 0.00 0.00 0.00 178.15 178.81 1vlf h ALA 372 N 0.79 0.33 -0.22 1.87 0.00 -0.37 -0.58 119.26 121.07 1vlf h ALA 372 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1vlf h ALA 372 Cb 0.87 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1vlf h ALA 372 CO 0.08 -0.21 0.04 -0.07 0.00 0.00 0.00 179.25 179.09 1vlf h LEU 373 N 0.34 0.35 -1.29 0.00 4.07 -1.14 -1.30 115.31 116.34 1vlf h LEU 373 Ca 0.10 -0.25 -0.05 0.00 0.08 0.00 0.00 57.88 57.76 1vlf h LEU 373 Cb -0.03 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 1vlf h LEU 373 CO -0.03 0.51 -0.01 0.00 -1.08 0.00 0.00 178.44 177.83 1vlf h ALA 374 N 0.85 1.42 -0.22 1.53 0.00 -1.21 -2.67 119.26 118.96 1vlf h ALA 374 Ca 0.07 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1vlf h ALA 374 Cb 0.31 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1vlf h ALA 374 CO 0.00 0.41 -0.25 1.15 0.00 0.00 0.00 179.25 180.56 1vlf h THR 375 N 0.45 1.33 0.00 0.00 2.02 -0.94 -1.27 112.91 114.49 1vlf h THR 375 Ca 0.10 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 1vlf h THR 375 Cb 0.31 1.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1vlf h THR 375 CO 0.01 0.44 -0.08 0.24 0.37 0.00 0.00 175.52 176.50 1vlf h MET 376 N 0.24 0.00 -0.40 6.66 2.07 -1.00 -1.33 114.93 121.17 1vlf h MET 376 Ca 0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 1vlf h MET 376 Cb 0.82 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.55 1vlf h MET 376 CO 0.06 0.08 0.00 1.04 1.07 0.00 0.00 176.91 179.16 1vlf n GLN 377 N -3.96 2.17 -2.45 1.72 1.13 -1.03 -0.70 117.38 114.25 1vlf n GLN 377 Ca -0.02 -1.78 -0.06 0.00 -1.94 0.00 0.00 57.00 53.19 1vlf n GLN 377 Cb 0.17 -1.43 0.03 0.00 0.11 0.00 0.00 30.24 29.12 1vlf n GLN 377 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vlf n GLY 378 N 1.33 0.17 3.63 1.08 0.00 -0.50 -4.79 105.19 106.11 1vlf n GLY 378 Ca 0.18 -0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 1vlf n GLY 378 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1vlf n MET 379 N -2.07 1.62 0.00 1.61 0.00 -0.50 -2.57 117.12 115.22 1vlf n MET 379 Ca -0.09 0.57 0.00 0.00 0.00 0.00 0.00 57.70 58.18 1vlf n MET 379 Cb 0.56 -2.07 0.00 0.00 0.00 0.00 0.00 33.22 31.71 1vlf n MET 379 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vlf n GLY 380 N 1.44 1.80 3.88 3.17 0.00 -0.24 -4.49 105.19 110.75 1vlf n GLY 380 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1vlf n GLY 380 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vlf s LYS 381 N -0.08 3.72 0.04 1.61 -2.85 -1.06 -3.79 119.74 117.33 1vlf s LYS 381 Ca 0.00 0.51 -0.35 0.00 -1.00 0.00 0.00 55.97 55.13 1vlf s LYS 381 Cb 0.00 -2.31 -0.14 0.00 -2.06 0.00 0.00 37.83 33.32 1vlf s LYS 381 CO 0.00 -0.18 1.67 -2.30 0.10 0.00 0.00 175.35 174.63 1vlf n PRO 382 N -1.77 1.98 -0.59 1.78 -0.02 -1.26 -1.72 135.00 133.40 1vlf n PRO 382 Ca 0.03 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1vlf n PRO 382 Cb 0.54 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1vlf n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vlf n GLY 383 N 3.70 0.76 3.01 -1.23 0.00 -1.26 -5.02 105.19 105.15 1vlf n GLY 383 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 1vlf n GLY 383 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vlf s SER 384 N -2.64 0.29 0.05 1.61 0.15 -0.70 -2.42 113.70 110.04 1vlf s SER 384 Ca 0.00 0.46 -0.27 0.00 0.70 0.00 0.00 55.95 56.84 1vlf s SER 384 Cb 0.00 0.97 0.10 0.00 -1.71 0.00 0.00 66.02 65.38 1vlf s SER 384 CO 0.00 -0.27 1.19 0.21 1.20 0.00 0.00 173.24 175.57 1vlf s ASN 385 N 2.50 -0.04 -0.30 5.45 3.84 -1.25 -1.08 114.94 124.06 1vlf s ASN 385 Ca 0.05 -0.31 -0.15 0.00 0.21 0.00 0.00 52.86 52.66 1vlf s ASN 385 Cb -0.14 0.27 -0.03 0.00 -0.55 0.00 0.00 41.25 40.81 1vlf s ASN 385 CO -0.13 -0.52 0.37 -0.32 -2.79 0.00 0.00 177.10 173.71 1vlf s MET 386 N -2.35 3.82 -0.18 0.43 -2.45 -1.26 -1.35 119.30 115.95 1vlf s MET 386 Ca 0.20 -0.15 -0.09 0.00 -1.25 0.00 0.00 55.69 54.40 1vlf s MET 386 Cb 0.01 -3.72 0.07 0.00 1.25 0.00 0.00 34.83 32.44 1vlf s MET 386 CO -0.00 -0.39 0.42 -0.46 1.05 0.00 0.00 175.02 175.64 1vlf s TRP 387 N 2.07 -0.68 -2.06 4.11 -0.00 0.08 -4.88 118.94 117.57 1vlf s TRP 387 Ca 0.14 1.39 0.23 0.00 -0.00 0.00 0.00 56.10 57.86 1vlf s TRP 387 Cb -0.16 0.29 0.62 0.00 -0.00 0.00 0.00 33.47 34.22 1vlf s TRP 387 CO 0.11 -0.39 1.52 0.43 -0.00 0.00 0.00 176.95 178.62 1vlf n SER 388 N 4.60 3.85 0.00 5.86 7.64 -1.26 -2.90 113.62 131.42 1vlf n SER 388 Ca -0.19 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.69 1vlf n SER 388 Cb 0.54 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1vlf n SER 388 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1vlf n THR 389 N 1.62 0.00 -0.04 0.44 -2.24 -1.26 -4.82 114.28 107.98 1vlf n THR 389 Ca 0.24 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1vlf n THR 389 Cb 0.61 -0.36 -0.14 0.00 -2.10 0.00 0.00 70.33 68.35 1vlf n THR 389 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vlf n THR 390 N -2.09 1.59 -3.54 4.28 -2.24 -1.26 -4.90 114.28 106.12 1vlf n THR 390 Ca 0.00 -0.77 -0.05 0.00 -2.27 0.00 0.00 64.05 60.96 1vlf n THR 390 Cb 0.06 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1vlf n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vlf n GLN 391 N -3.08 1.32 -0.52 -0.78 6.02 -1.26 -4.20 117.38 114.89 1vlf n GLN 391 Ca -0.25 -0.63 0.00 0.00 -0.01 0.00 0.00 57.00 56.11 1vlf n GLN 391 Cb 1.07 0.06 0.00 0.00 1.02 0.00 0.00 30.24 32.39 1vlf n GLN 391 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vlf n GLY 392 N 3.77 0.75 3.75 1.08 0.00 -1.21 -4.36 105.19 108.97 1vlf n GLY 392 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1vlf n GLY 392 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vlf s VAL 393 N -2.33 2.92 -0.79 1.61 1.01 -1.18 -1.82 120.40 119.83 1vlf s VAL 393 Ca 0.00 0.80 -0.06 0.00 0.00 0.00 0.00 61.98 62.72 1vlf s VAL 393 Cb 0.00 -3.51 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 1vlf s VAL 393 CO 0.00 0.14 2.56 -0.81 0.00 0.00 0.00 175.10 176.99 1vlf n PRO 394 N 2.09 2.29 -1.95 2.72 -0.04 -1.26 -4.66 135.00 134.19 1vlf n PRO 394 Ca 0.05 -1.40 -0.29 0.00 -0.04 0.00 0.00 63.50 61.82 1vlf n PRO 394 Cb 0.42 -2.34 0.09 0.00 -0.04 0.00 0.00 33.50 31.62 1vlf n PRO 394 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vlf s LEU 395 N 0.08 2.55 -0.89 1.53 1.43 -1.26 -4.80 118.68 117.32 1vlf s LEU 395 Ca 0.50 0.72 -0.25 0.00 -1.03 0.00 0.00 54.13 54.08 1vlf s LEU 395 Cb 0.17 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 43.16 1vlf s LEU 395 CO -0.03 -1.88 1.66 -0.62 0.23 0.00 0.00 176.35 175.71 1vlf s ASP 396 N -4.58 5.80 0.40 2.29 3.68 -1.26 -4.79 116.67 118.21 1vlf s ASP 396 Ca 0.62 -0.80 0.28 0.00 2.13 0.00 0.00 52.55 54.78 1vlf s ASP 396 Cb -0.11 -2.56 1.36 0.00 -1.45 0.00 0.00 42.92 40.16 1vlf s ASP 396 CO 0.48 -2.11 1.85 1.88 0.13 0.00 0.00 175.17 177.40 1vlf h TYR 397 N 11.05 0.00 0.00 -5.34 0.99 -1.96 -2.62 116.97 119.09 1vlf h TYR 397 Ca 0.04 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.68 1vlf h TYR 397 Cb 1.03 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.75 1vlf h TYR 397 CO 1.21 0.00 -0.80 0.93 -0.00 0.00 0.00 178.16 179.49 1vlf h GLU 398 N 0.00 0.00 -6.64 4.88 5.08 -2.01 -3.45 114.58 112.44 1vlf h GLU 398 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1vlf h GLU 398 Cb 0.21 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.49 1vlf h GLU 398 CO 0.00 0.27 0.64 0.12 -1.00 0.00 0.00 179.01 179.04 1vlf s PHE 399 N -3.06 3.30 -0.22 4.33 5.36 -0.99 -4.99 117.98 121.70 1vlf s PHE 399 Ca 0.01 1.21 -0.05 0.00 -0.96 0.00 0.00 56.93 57.14 1vlf s PHE 399 Cb 0.08 -3.57 -0.02 0.00 -0.34 0.00 0.00 43.02 39.17 1vlf s PHE 399 CO 0.76 -1.81 0.01 -0.47 -1.46 0.00 0.00 175.22 172.25 1vlf s TYR 400 N 0.34 3.02 -0.09 10.12 5.04 -1.26 -5.03 117.35 129.49 1vlf s TYR 400 Ca 0.58 -0.64 -0.04 0.00 -2.44 0.00 0.00 57.07 54.53 1vlf s TYR 400 Cb -0.35 -2.14 0.05 0.00 0.35 0.00 0.00 41.96 39.86 1vlf s TYR 400 CO 0.36 -0.41 0.17 0.12 -1.34 0.00 0.00 175.55 174.46 1vlf s PHE 401 N 1.40 -0.21 0.53 4.97 5.36 -1.26 -1.63 117.98 127.14 1vlf s PHE 401 Ca 0.05 0.64 -0.22 0.00 -0.96 0.00 0.00 56.93 56.44 1vlf s PHE 401 Cb -0.15 -0.18 -0.05 0.00 -0.34 0.00 0.00 43.02 42.30 1vlf s PHE 401 CO 0.00 -0.26 1.32 -2.14 -1.46 0.00 0.00 175.22 172.68 1vlf s PRO 402 N 2.04 3.23 0.47 10.12 0.02 -1.26 -5.05 135.00 144.56 1vlf s PRO 402 Ca -0.00 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.18 1vlf s PRO 402 Cb -0.12 -2.26 0.01 0.00 0.02 0.00 0.00 34.50 32.15 1vlf s PRO 402 CO -0.06 -1.09 0.67 0.20 -0.33 0.00 0.00 177.00 176.39 1vlf s GLY 403 N -1.05 1.70 0.50 0.52 0.00 -1.26 -4.79 107.32 102.94 1vlf s GLY 403 Ca 0.71 -1.27 0.16 0.00 0.00 0.00 0.00 44.72 44.32 1vlf s GLY 403 CO 0.45 -1.06 2.10 0.10 0.00 0.00 0.00 173.10 174.68 1vlf h TYR 404 N 0.37 0.00 0.00 1.90 -0.00 -1.40 -2.16 116.97 115.67 1vlf h TYR 404 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 1vlf h TYR 404 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.00 1vlf h TYR 404 CO 0.41 0.06 0.00 0.00 -0.00 0.00 0.00 178.16 178.64 1vlf n ALA 405 N -2.52 1.69 1.51 0.10 0.00 -0.63 -2.82 120.51 117.84 1vlf n ALA 405 Ca -0.03 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.39 1vlf n ALA 405 Cb 0.14 -1.21 0.10 0.00 0.00 0.00 0.00 19.45 18.49 1vlf n ALA 405 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vlf n GLU 406 N -1.37 1.36 0.00 0.00 1.02 -0.81 0.03 120.64 120.87 1vlf n GLU 406 Ca 0.05 -0.56 0.00 0.00 -0.02 0.00 0.00 57.16 56.63 1vlf n GLU 406 Cb 0.12 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1vlf n GLU 406 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vlf n GLY 407 N 0.76 3.27 7.00 0.62 0.00 -1.13 -2.67 105.19 113.05 1vlf n GLY 407 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1vlf n GLY 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vlf n GLY 408 N -2.00 3.37 0.49 -0.02 0.00 -1.26 -1.48 105.19 104.28 1vlf n GLY 408 Ca 0.00 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.40 1vlf n GLY 408 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vlf n ILE 409 N 0.00 0.01 0.09 -0.61 -5.35 -1.26 -4.14 119.36 108.11 1vlf n ILE 409 Ca 0.00 -0.26 -0.22 0.00 -0.27 0.00 0.00 62.75 62.01 1vlf n ILE 409 Cb 0.00 0.50 -0.15 0.00 -1.74 0.00 0.00 39.64 38.25 1vlf n ILE 409 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1vlf h SER 410 N 2.36 0.63 -0.64 7.28 4.64 -1.33 -3.43 113.55 123.05 1vlf h SER 410 Ca 0.00 -0.82 -0.27 0.00 -0.47 0.00 0.00 61.79 60.22 1vlf h SER 410 Cb 0.50 -0.20 -0.11 0.00 -0.31 0.00 0.00 62.40 62.28 1vlf h SER 410 CO 0.00 1.68 -0.25 0.61 -0.87 0.00 0.00 176.83 178.00 1vlf n GLY 411 N 1.77 1.39 3.56 -0.77 0.00 -1.25 0.34 105.19 110.24 1vlf n GLY 411 Ca -0.20 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 1vlf n GLY 411 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vlf s ASP 412 N -2.74 5.48 0.00 1.61 -1.08 -1.26 -4.67 116.67 114.00 1vlf s ASP 412 Ca 0.00 0.58 0.24 0.00 -0.52 0.00 0.00 52.55 52.85 1vlf s ASP 412 Cb 0.00 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 40.07 1vlf s ASP 412 CO 0.00 -2.16 1.79 0.00 0.52 0.00 0.00 175.17 175.31 1vlf n GLU 414 N -1.37 0.97 -0.06 0.00 2.13 -1.26 -4.49 120.64 116.56 1vlf n GLU 414 Ca 0.09 -0.09 0.04 0.00 0.66 0.00 0.00 57.16 57.87 1vlf n GLU 414 Cb 0.23 -1.36 0.07 0.00 0.27 0.00 0.00 31.44 30.64 1vlf n GLU 414 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1vlf n ASN 415 N -2.24 2.12 -3.38 4.31 3.02 -1.23 -5.01 115.26 112.85 1vlf n ASN 415 Ca -0.11 -1.62 -0.18 0.00 -0.03 0.00 0.00 54.58 52.64 1vlf n ASN 415 Cb 0.63 -0.07 -0.07 0.00 -0.61 0.00 0.00 39.78 39.66 1vlf n ASN 415 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1vlf s SER 416 N -0.82 1.36 -0.21 6.41 1.04 -0.96 -5.02 113.70 115.49 1vlf s SER 416 Ca 0.13 -1.66 0.10 0.00 0.48 0.00 0.00 55.95 55.01 1vlf s SER 416 Cb 0.08 0.57 0.66 0.00 0.10 0.00 0.00 66.02 67.43 1vlf s SER 416 CO 0.11 -1.11 1.54 0.00 0.98 0.00 0.00 173.24 174.76 1vlf n ALA 417 N -0.58 3.78 -0.24 5.32 0.00 0.10 -4.51 120.51 124.38 1vlf n ALA 417 Ca 0.05 -1.64 0.07 0.00 0.00 0.00 0.00 53.44 51.92 1vlf n ALA 417 Cb 0.62 -1.13 0.32 0.00 0.00 0.00 0.00 19.45 19.26 1vlf n ALA 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vlf h ALA 418 N 3.39 1.66 -0.10 0.00 0.00 -1.69 -2.67 119.26 119.85 1vlf h ALA 418 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1vlf h ALA 418 Cb 1.79 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1vlf h ALA 418 CO 0.45 0.19 0.10 0.78 0.00 0.00 0.00 179.25 180.78 1vlf h GLY 419 N 0.84 0.00 0.82 0.00 0.00 -1.79 -1.02 103.07 101.91 1vlf h GLY 419 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1vlf h GLY 419 CO -0.14 0.00 -0.19 -2.75 0.00 0.00 0.00 176.54 173.46 1vlf h PHE 420 N 0.00 -0.49 0.00 5.60 3.57 -1.84 -3.46 116.94 120.31 1vlf h PHE 420 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1vlf h PHE 420 Cb 0.25 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1vlf h PHE 420 CO 0.00 -0.20 0.00 1.17 -2.23 0.00 0.00 178.31 177.05 1vlf n LYS 421 N -5.24 0.00 -0.10 1.11 4.81 -1.18 -4.98 118.16 112.57 1vlf n LYS 421 Ca -0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.26 1vlf n LYS 421 Cb 0.27 -0.19 0.00 0.00 0.02 0.00 0.00 35.03 35.13 1vlf n LYS 421 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1vlf h PHE 422 N 0.00 0.34 -0.95 5.64 3.57 -1.82 -2.75 116.94 120.97 1vlf h PHE 422 Ca 0.00 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.66 1vlf h PHE 422 Cb 0.00 -0.10 -0.09 0.00 2.79 0.00 0.00 35.95 38.54 1vlf h PHE 422 CO 0.00 0.19 0.56 0.00 -2.23 0.00 0.00 178.31 176.83 1vlf h ALA 423 N 1.17 1.49 0.00 2.41 0.00 -1.45 0.36 119.26 123.23 1vlf h ALA 423 Ca 0.14 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1vlf h ALA 423 Cb 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1vlf h ALA 423 CO -0.09 0.03 -0.05 -1.49 0.00 0.00 0.00 179.25 177.66 1vlf h TRP 424 N 0.80 0.00 0.05 0.00 -0.00 -1.70 -2.04 115.95 113.06 1vlf h TRP 424 Ca 0.51 0.00 -0.38 0.00 -0.00 0.00 0.00 58.89 59.02 1vlf h TRP 424 Cb 0.68 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.79 1vlf h TRP 424 CO -0.03 0.05 -2.28 0.54 -0.00 0.00 0.00 178.44 176.72 1vlf n ARG 425 N -3.24 0.69 -0.00 0.49 1.74 0.49 -4.57 116.66 112.27 1vlf n ARG 425 Ca -0.01 0.19 -0.11 0.00 -0.77 0.00 0.00 57.85 57.15 1vlf n ARG 425 Cb 0.24 -1.60 0.03 0.00 -1.02 0.00 0.00 32.46 30.11 1vlf n ARG 425 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1vlf h MET 426 N 0.03 0.59 -6.41 5.56 4.05 -0.34 -3.45 114.93 114.96 1vlf h MET 426 Ca -0.51 -0.40 -0.67 0.00 -0.28 0.00 0.00 59.70 57.84 1vlf h MET 426 Cb 1.96 0.06 -0.16 0.00 -0.80 0.00 0.00 31.60 32.66 1vlf h MET 426 CO -0.01 1.02 -0.72 -0.06 0.23 0.00 0.00 176.91 177.36 1vlf s PHE 427 N -3.92 2.82 -0.56 1.39 0.40 -0.78 -4.98 117.98 112.35 1vlf s PHE 427 Ca -0.08 -0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.21 1vlf s PHE 427 Cb 0.11 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 42.13 1vlf s PHE 427 CO 0.85 0.39 0.58 -0.40 0.70 0.00 0.00 175.22 177.34 1vlf n ASP 428 N 1.16 1.21 -1.90 1.36 5.68 -1.25 -4.75 116.55 118.07 1vlf n ASP 428 Ca -0.14 -1.10 -0.19 0.00 -0.50 0.00 0.00 54.79 52.86 1vlf n ASP 428 Cb 0.52 0.18 -0.03 0.00 -1.14 0.00 0.00 41.12 40.65 1vlf n ASP 428 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vlf n GLY 429 N 0.43 0.31 1.82 6.12 0.00 -1.25 -4.78 105.19 107.84 1vlf n GLY 429 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1vlf n GLY 429 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vlf n LYS 430 N -2.68 0.00 -0.01 1.61 5.02 -1.26 -4.99 118.16 115.85 1vlf n LYS 430 Ca -0.21 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.09 1vlf n LYS 430 Cb 0.65 -0.09 -0.04 0.00 -0.02 0.00 0.00 35.03 35.53 1vlf n LYS 430 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1vlf n THR 431 N -3.18 0.07 -4.31 -0.18 -2.24 -1.26 -5.02 114.28 98.17 1vlf n THR 431 Ca 0.00 -0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 61.45 1vlf n THR 431 Cb 0.03 0.09 -0.16 0.00 -2.10 0.00 0.00 70.33 68.20 1vlf n THR 431 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1vlf s THR 432 N -2.28 0.68 0.11 4.28 -1.32 -1.26 -5.08 115.64 110.76 1vlf s THR 432 Ca -0.02 -0.29 0.07 0.00 -1.21 0.00 0.00 61.69 60.24 1vlf s THR 432 Cb 0.03 -0.62 -0.04 0.00 -1.51 0.00 0.00 72.50 70.36 1vlf s THR 432 CO 0.20 0.22 -0.17 -0.36 -2.21 0.00 0.00 174.62 172.30 1vlf s PHE 433 N 0.32 1.54 0.93 9.09 0.40 -1.26 -3.75 117.98 125.26 1vlf s PHE 433 Ca -0.05 -0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 55.68 1vlf s PHE 433 Cb -0.09 -0.82 0.15 0.00 0.51 0.00 0.00 43.02 42.77 1vlf s PHE 433 CO 0.00 0.18 1.11 -2.14 0.70 0.00 0.00 175.22 175.08 1vlf s PRO 434 N -2.30 0.96 -0.53 0.24 0.02 -1.26 -5.00 135.00 127.12 1vlf s PRO 434 Ca 0.07 0.43 0.04 0.00 0.02 0.00 0.00 61.00 61.56 1vlf s PRO 434 Cb -0.07 -1.81 0.15 0.00 0.02 0.00 0.00 34.50 32.79 1vlf s PRO 434 CO 0.04 -2.35 0.33 0.45 -0.33 0.00 0.00 177.00 175.14 1vlf s SER 435 N -3.78 3.94 0.61 2.53 0.15 0.15 -5.01 113.70 112.30 1vlf s SER 435 Ca 0.64 -3.13 -0.14 0.00 0.70 0.00 0.00 55.95 54.03 1vlf s SER 435 Cb -0.16 -1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 62.81 1vlf s SER 435 CO 0.55 -0.19 1.04 -2.84 1.20 0.00 0.00 173.24 173.00 1vlf s PRO 436 N -0.37 3.37 -0.13 5.44 0.02 -1.26 -4.52 135.00 137.55 1vlf s PRO 436 Ca 0.21 1.00 0.02 0.00 0.02 0.00 0.00 61.00 62.25 1vlf s PRO 436 Cb -0.16 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.32 1vlf s PRO 436 CO -0.07 -0.75 -0.18 0.45 -0.33 0.00 0.00 177.00 176.12 1vlf s SER 437 N -3.40 2.78 0.00 2.53 0.15 -1.26 -4.70 113.70 109.80 1vlf s SER 437 Ca 0.59 -0.52 0.17 0.00 0.70 0.00 0.00 55.95 56.90 1vlf s SER 437 Cb -0.13 -1.27 0.49 0.00 -1.71 0.00 0.00 66.02 63.40 1vlf s SER 437 CO 0.44 0.03 1.41 -0.46 1.20 0.00 0.00 173.24 175.86 1vlf n ASN 438 N 4.24 2.75 -0.05 5.45 6.94 -1.26 -4.16 115.26 129.17 1vlf n ASN 438 Ca -0.19 -1.97 -0.08 0.00 -0.02 0.00 0.00 54.58 52.32 1vlf n ASN 438 Cb 0.51 -0.31 -0.05 0.00 -2.36 0.00 0.00 39.78 37.57 1vlf n ASN 438 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1vlf n LEU 439 N 1.00 2.52 -3.77 -4.53 4.77 -1.26 -4.68 117.00 111.05 1vlf n LEU 439 Ca 0.18 -0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.72 1vlf n LEU 439 Cb 0.45 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1vlf n LEU 439 CO 0.12 0.58 2.40 -3.20 -1.33 0.00 0.00 177.39 175.96 1vlf n ASN 440 N -2.95 4.47 -3.79 -1.43 5.15 -1.26 -1.78 115.26 113.66 1vlf n ASN 440 Ca -0.19 -2.95 -0.10 0.00 -0.60 0.00 0.00 54.58 50.74 1vlf n ASN 440 Cb 0.69 -1.58 -0.06 0.00 -0.53 0.00 0.00 39.78 38.30 1vlf n ASN 440 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1vlf s THR 441 N 1.98 0.09 0.32 -0.44 -1.32 -1.26 -4.86 115.64 110.14 1vlf s THR 441 Ca 0.44 -0.98 0.05 0.00 -1.21 0.00 0.00 61.69 59.99 1vlf s THR 441 Cb 0.12 -1.43 0.30 0.00 -1.51 0.00 0.00 72.50 69.99 1vlf s THR 441 CO -0.05 -0.40 1.85 0.28 -2.21 0.00 0.00 174.62 174.10 1vlf h SER 442 N 2.51 0.79 0.33 8.08 0.02 -1.98 0.34 113.55 123.64 1vlf h SER 442 Ca -0.33 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1vlf h SER 442 Cb 1.23 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1vlf h SER 442 CO 0.49 0.41 -0.04 0.00 -1.14 0.00 0.00 176.83 176.55 1vlf n ALA 443 N -2.39 2.64 -1.93 3.77 0.00 -1.26 -4.77 120.51 116.57 1vlf n ALA 443 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1vlf n ALA 443 Cb 0.41 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1vlf n ALA 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vlf n GLY 444 N 1.21 0.70 2.85 0.00 0.00 0.11 -5.03 105.19 105.03 1vlf n GLY 444 Ca 0.17 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1vlf n GLY 444 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vlf s GLN 445 N 3.84 0.01 0.19 1.61 0.74 -0.74 -4.84 119.66 120.47 1vlf s GLN 445 Ca 0.00 0.18 -0.13 0.00 0.05 0.00 0.00 55.36 55.46 1vlf s GLN 445 Cb 0.00 -0.15 0.01 0.00 1.10 0.00 0.00 33.01 33.97 1vlf s GLN 445 CO 0.00 -0.11 0.40 -3.38 -0.55 0.00 0.00 175.29 171.64 1vlf s HIS 446 N 0.74 0.19 0.07 1.67 -3.43 -1.26 -4.08 115.29 109.20 1vlf s HIS 446 Ca -0.06 -0.55 0.02 0.00 -0.80 0.00 0.00 55.06 53.67 1vlf s HIS 446 Cb -0.08 0.15 -0.03 0.00 -1.43 0.00 0.00 32.58 31.18 1vlf s HIS 446 CO -0.03 -0.83 -0.08 0.96 -2.00 0.00 0.00 174.74 172.77 1vlf s ILE 447 N -3.94 0.69 0.15 -5.38 -4.36 -0.50 -4.90 121.20 102.96 1vlf s ILE 447 Ca 0.15 -1.50 -0.30 0.00 -0.26 0.00 0.00 60.65 58.74 1vlf s ILE 447 Cb 0.01 -1.15 -0.08 0.00 1.25 0.00 0.00 42.46 42.50 1vlf s ILE 447 CO -0.00 -0.59 1.22 -2.84 0.24 0.00 0.00 174.94 172.97 1vlf s PRO 448 N -2.62 4.46 0.30 0.37 0.02 -1.26 -1.51 135.00 134.77 1vlf s PRO 448 Ca 0.01 1.87 0.03 0.00 0.02 0.00 0.00 61.00 62.93 1vlf s PRO 448 Cb -0.03 -3.26 0.60 0.00 0.02 0.00 0.00 34.50 31.83 1vlf s PRO 448 CO -0.01 -0.15 1.86 -0.09 -0.33 0.00 0.00 177.00 178.27 1vlf h ARG 449 N 5.70 0.92 0.00 5.54 2.43 -1.43 -0.28 114.38 127.25 1vlf h ARG 449 Ca -0.44 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1vlf h ARG 449 Cb 1.21 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1vlf h ARG 449 CO 0.77 0.61 0.00 1.28 -1.51 0.00 0.00 179.97 181.12 1vlf n LEU 450 N -4.58 0.64 -0.25 3.80 4.77 -1.26 -3.09 117.00 117.03 1vlf n LEU 450 Ca 0.18 0.69 0.07 0.00 -0.03 0.00 0.00 56.01 56.92 1vlf n LEU 450 Cb 0.35 -0.65 0.11 0.00 -2.33 0.00 0.00 43.42 40.90 1vlf n LEU 450 CO 0.29 -0.67 0.47 0.29 -1.33 0.00 0.00 177.39 176.44 1vlf n LYS 451 N -2.24 0.99 -0.23 3.23 4.76 -0.15 -4.78 118.16 119.74 1vlf n LYS 451 Ca 0.01 -2.28 0.00 0.00 -2.87 0.00 0.00 58.31 53.17 1vlf n LYS 451 Cb 0.17 -1.25 0.12 0.00 -1.84 0.00 0.00 35.03 32.23 1vlf n LYS 451 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1vlf h ILE 452 N 1.81 0.85 -0.64 -0.18 2.04 -1.39 -1.91 117.51 118.09 1vlf h ILE 452 Ca -0.01 -0.19 0.07 0.00 1.00 0.00 0.00 64.86 65.73 1vlf h ILE 452 Cb 1.11 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 1vlf h ILE 452 CO 0.00 0.10 0.32 -0.65 0.00 0.00 0.00 178.15 177.93 1vlf h PRO 453 N 0.56 0.56 -0.43 2.37 0.11 -1.86 -1.04 132.00 132.27 1vlf h PRO 453 Ca 0.32 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.29 1vlf h PRO 453 Cb 0.33 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1vlf h PRO 453 CO -0.26 0.37 -0.16 0.93 -0.21 0.00 0.00 178.00 178.68 1vlf h GLU 454 N 0.58 0.82 -0.37 1.05 3.07 -1.80 -0.56 114.58 117.36 1vlf h GLU 454 Ca 0.30 -0.30 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1vlf h GLU 454 Cb 0.27 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1vlf h GLU 454 CO -0.23 0.92 0.05 0.00 -1.40 0.00 0.00 179.01 178.36 1vlf h ILE 456 N 0.46 1.04 0.05 0.00 2.04 -1.09 0.15 117.51 120.16 1vlf h ILE 456 Ca 0.11 -0.79 -0.23 0.00 1.00 0.00 0.00 64.86 64.95 1vlf h ILE 456 Cb 0.37 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1vlf h ILE 456 CO 0.01 0.18 -1.08 0.24 0.00 0.00 0.00 178.15 177.51 1vlf h MET 457 N -0.55 0.15 0.00 2.37 2.86 -1.14 -3.34 114.93 115.28 1vlf h MET 457 Ca -0.02 -0.23 -0.11 0.00 -2.06 0.00 0.00 59.70 57.28 1vlf h MET 457 Cb 0.43 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1vlf h MET 457 CO 0.03 1.08 -1.50 0.41 1.06 0.00 0.00 176.91 177.99 1vlf n GLY 458 N 1.33 -1.22 2.39 8.32 0.00 0.20 -4.97 105.19 111.24 1vlf n GLY 458 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1vlf n GLY 458 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vlf n GLY 459 N 1.34 0.33 3.49 -0.02 0.00 0.51 -4.96 105.19 105.87 1vlf n GLY 459 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1vlf n GLY 459 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vlf s LYS 460 N -0.71 1.00 -0.24 1.61 2.20 -1.25 -4.36 119.74 117.99 1vlf s LYS 460 Ca 0.00 -0.20 -0.34 0.00 -0.36 0.00 0.00 55.97 55.07 1vlf s LYS 460 Cb 0.00 0.46 0.16 0.00 -1.51 0.00 0.00 37.83 36.94 1vlf s LYS 460 CO 0.00 -0.40 1.28 0.12 -0.36 0.00 0.00 175.35 175.98 1vlf s PHE 461 N -2.72 -0.09 -0.02 4.03 5.36 -0.54 -4.48 117.98 119.51 1vlf s PHE 461 Ca -0.00 0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 56.05 1vlf s PHE 461 Cb -0.01 0.50 0.01 0.00 -0.34 0.00 0.00 43.02 43.19 1vlf s PHE 461 CO -0.05 -0.12 0.06 -1.14 -1.46 0.00 0.00 175.22 172.50 1vlf s GLN 462 N -1.80 0.05 0.38 10.12 -0.44 -1.26 0.04 119.66 126.75 1vlf s GLN 462 Ca 0.09 0.12 -0.10 0.00 -2.50 0.00 0.00 55.36 52.97 1vlf s GLN 462 Cb -0.01 -0.03 0.04 0.00 -1.64 0.00 0.00 33.01 31.37 1vlf s GLN 462 CO -0.05 -0.05 0.68 -2.67 0.50 0.00 0.00 175.29 173.70 1vlf n TRP 463 N 3.34 -2.03 -4.70 1.67 2.14 -0.22 -5.00 117.44 112.64 1vlf n TRP 463 Ca -0.16 -2.06 -0.34 0.00 2.07 0.00 0.00 57.50 57.01 1vlf n TRP 463 Cb 0.57 0.79 -0.12 0.00 -0.81 0.00 0.00 31.31 31.74 1vlf n TRP 463 CO 0.00 0.00 0.00 -1.12 2.07 0.00 0.00 177.69 178.64 1vlf s SER 464 N -3.12 4.47 0.18 -0.67 0.01 -1.26 -0.59 113.70 112.73 1vlf s SER 464 Ca 0.21 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1vlf s SER 464 Cb -0.03 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.10 1vlf s SER 464 CO 0.15 0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.77 1vlf n GLY 465 N 2.28 -2.98 3.06 3.44 0.00 0.30 -4.69 105.19 106.59 1vlf n GLY 465 Ca -0.18 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 1vlf n GLY 465 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vlf s LYS 466 N -3.81 2.09 3.89 1.61 2.20 -1.26 -4.89 119.74 119.57 1vlf s LYS 466 Ca 0.00 -1.43 0.00 0.00 -0.36 0.00 0.00 55.97 54.18 1vlf s LYS 466 Cb 0.00 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 1vlf s LYS 466 CO 0.00 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 1vlf n GLY 467 N 4.41 3.03 3.56 5.54 0.00 -1.26 -3.93 105.19 116.54 1vlf n GLY 467 Ca -0.11 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1vlf n GLY 467 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vlf s PHE 468 N 0.00 2.60 -1.24 1.61 0.40 -1.22 -4.43 117.98 115.70 1vlf s PHE 468 Ca 0.00 0.21 -0.06 0.00 -0.60 0.00 0.00 56.93 56.48 1vlf s PHE 468 Cb 0.00 -4.42 0.19 0.00 0.51 0.00 0.00 43.02 39.29 1vlf s PHE 468 CO 0.00 -1.61 2.03 0.00 0.70 0.00 0.00 175.22 176.33 1vlf n ALA 469 N 8.33 6.02 1.64 5.36 0.00 -1.25 -4.73 120.51 135.88 1vlf n ALA 469 Ca 0.06 -4.33 0.15 0.00 0.00 0.00 0.00 53.44 49.31 1vlf n ALA 469 Cb 0.48 -2.71 0.64 0.00 0.00 0.00 0.00 19.45 17.87 1vlf n ALA 469 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vlf n GLY 470 N 1.80 -0.29 0.26 0.00 0.00 -1.26 -4.30 105.19 101.40 1vlf n GLY 470 Ca 0.48 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 1vlf n GLY 470 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vlf h GLY 471 N 4.90 0.93 -2.88 -0.02 0.00 -1.85 -2.91 103.07 101.24 1vlf h GLY 471 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1vlf h GLY 471 CO 0.00 0.50 0.23 -0.35 0.00 0.00 0.00 176.54 176.92 1vlf s ASP 472 N -6.12 -0.51 0.22 0.19 2.15 -1.26 -4.87 116.67 106.47 1vlf s ASP 472 Ca -0.13 -0.09 -0.08 0.00 0.43 0.00 0.00 52.55 52.69 1vlf s ASP 472 Cb 0.12 0.60 0.36 0.00 -0.30 0.00 0.00 42.92 43.70 1vlf s ASP 472 CO 0.80 -1.00 1.70 0.40 -0.17 0.00 0.00 175.17 176.90 1vlf h ILE 473 N 2.00 0.61 -0.12 4.11 2.04 -1.90 -2.64 117.51 121.61 1vlf h ILE 473 Ca -0.31 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1vlf h ILE 473 Cb 1.30 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1vlf h ILE 473 CO 0.35 0.05 0.00 -1.20 0.00 0.00 0.00 178.15 177.36 1vlf n SER 474 N -5.12 1.30 0.05 1.72 7.64 -1.26 -4.15 113.62 113.80 1vlf n SER 474 Ca 0.11 -1.63 0.02 0.00 1.01 0.00 0.00 58.87 58.39 1vlf n SER 474 Cb 0.37 -0.08 0.39 0.00 -1.01 0.00 0.00 64.21 63.88 1vlf n SER 474 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1vlf h HIS 475 N 1.75 0.43 0.00 1.43 3.86 -1.76 -1.62 115.15 119.24 1vlf h HIS 475 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1vlf h HIS 475 Cb 0.38 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1vlf h HIS 475 CO 0.08 0.38 0.00 0.00 0.86 0.00 0.00 177.93 179.25 1vlf n GLN 476 N -4.37 0.01 0.03 2.45 10.64 -1.26 -2.42 117.38 122.46 1vlf n GLN 476 Ca 0.01 0.30 0.12 0.00 -1.83 0.00 0.00 57.00 55.60 1vlf n GLN 476 Cb 0.17 -1.52 0.16 0.00 -0.86 0.00 0.00 30.24 28.19 1vlf n GLN 476 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1vlf n LEU 477 N -1.54 0.62 -4.77 2.61 4.77 -0.61 -2.11 117.00 115.96 1vlf n LEU 477 Ca 0.03 0.10 -0.40 0.00 -0.03 0.00 0.00 56.01 55.71 1vlf n LEU 477 Cb 0.15 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1vlf n LEU 477 CO 0.12 0.02 1.09 -2.28 -1.33 0.00 0.00 177.39 175.02 1vlf s HIS 478 N -3.12 2.59 -0.07 -1.77 2.46 -1.02 -4.70 115.29 109.66 1vlf s HIS 478 Ca 0.07 1.23 -0.13 0.00 0.47 0.00 0.00 55.06 56.70 1vlf s HIS 478 Cb 0.15 -3.95 -0.05 0.00 -0.13 0.00 0.00 32.58 28.60 1vlf s HIS 478 CO 0.73 -2.85 0.32 -0.65 -2.47 0.00 0.00 174.74 169.82 1vlf s GLN 479 N -2.20 3.90 0.16 2.88 -1.52 -1.26 -0.53 119.66 121.08 1vlf s GLN 479 Ca 0.55 0.21 0.05 0.00 -1.95 0.00 0.00 55.36 54.22 1vlf s GLN 479 Cb -0.45 -3.27 -0.04 0.00 -0.22 0.00 0.00 33.01 29.03 1vlf s GLN 479 CO 0.59 0.59 -0.11 0.71 -0.25 0.00 0.00 175.29 176.82 1vlf s TYR 480 N -0.64 1.37 0.05 0.91 1.51 0.25 -4.96 117.35 115.84 1vlf s TYR 480 Ca 0.20 -0.71 -0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1vlf s TYR 480 Cb -0.15 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 40.99 1vlf s TYR 480 CO 0.09 0.15 -0.00 -1.83 -1.11 0.00 0.00 175.55 172.84 1vlf s GLU 481 N -3.69 0.59 -0.03 -0.62 -1.05 -1.26 -1.06 118.70 111.57 1vlf s GLU 481 Ca 0.18 -1.08 0.01 0.00 -0.15 0.00 0.00 54.97 53.92 1vlf s GLU 481 Cb 0.02 0.21 0.02 0.00 -0.44 0.00 0.00 34.13 33.94 1vlf s GLU 481 CO 0.02 -0.12 -0.02 -0.47 0.95 0.00 0.00 175.26 175.62 1vlf s TYR 482 N -3.49 0.53 0.45 4.83 5.04 0.11 -2.91 117.35 121.90 1vlf s TYR 482 Ca 0.03 -0.10 -0.23 0.00 -2.44 0.00 0.00 57.07 54.33 1vlf s TYR 482 Cb 0.05 -0.52 -0.08 0.00 0.35 0.00 0.00 41.96 41.76 1vlf s TYR 482 CO -0.08 -0.15 1.12 -1.25 -1.34 0.00 0.00 175.55 173.85 1vlf s PRO 483 N 0.88 3.86 0.58 4.97 0.04 -1.26 -1.47 135.00 142.60 1vlf s PRO 483 Ca -0.10 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.40 1vlf s PRO 483 Cb -0.13 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1vlf s PRO 483 CO -0.01 -0.44 1.20 0.00 0.04 0.00 0.00 177.00 177.80 1vlf s ALA 484 N -1.63 2.59 -0.22 8.56 0.00 -1.15 -4.86 121.76 125.06 1vlf s ALA 484 Ca 0.63 1.00 -0.40 0.00 0.00 0.00 0.00 51.96 53.19 1vlf s ALA 484 Cb -0.25 -3.44 -0.16 0.00 0.00 0.00 0.00 23.12 19.26 1vlf s ALA 484 CO 0.31 -1.11 1.63 -2.30 0.00 0.00 0.00 175.76 174.29 1vlf n PRO 485 N -1.49 1.00 0.00 0.00 -0.02 -1.26 -1.02 135.00 132.21 1vlf n PRO 485 Ca 0.13 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1vlf n PRO 485 Cb 0.50 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1vlf n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vlf n GLY 486 N 3.74 3.11 3.93 -1.23 0.00 -1.26 -5.02 105.19 108.46 1vlf n GLY 486 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 1vlf n GLY 486 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vlf s TYR 487 N -1.50 3.13 0.20 1.61 1.51 -0.19 -5.09 117.35 117.01 1vlf s TYR 487 Ca 0.00 0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 56.50 1vlf s TYR 487 Cb 0.00 -2.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.04 1vlf s TYR 487 CO 0.00 -0.88 0.40 0.45 -1.11 0.00 0.00 175.55 174.41 1vlf s SER 488 N -4.35 6.40 0.79 2.29 0.15 -1.26 -4.67 113.70 113.05 1vlf s SER 488 Ca 0.55 0.45 -0.11 0.00 0.70 0.00 0.00 55.95 57.53 1vlf s SER 488 Cb -0.10 -2.03 0.06 0.00 -1.71 0.00 0.00 66.02 62.24 1vlf s SER 488 CO 0.43 -0.04 1.09 -0.54 1.20 0.00 0.00 173.24 175.38 1vlf s LYS 489 N -3.24 2.14 0.26 5.44 1.02 -1.26 -4.36 119.74 119.75 1vlf s LYS 489 Ca 0.39 0.93 -0.30 0.00 0.02 0.00 0.00 55.97 57.01 1vlf s LYS 489 Cb -0.11 -1.90 -0.10 0.00 -0.52 0.00 0.00 37.83 35.20 1vlf s LYS 489 CO 0.28 -1.65 1.32 0.42 -0.92 0.00 0.00 175.35 174.80 1vlf s ILE 490 N -3.00 2.94 0.00 2.17 -1.09 -1.26 -4.37 121.20 116.59 1vlf s ILE 490 Ca 0.61 0.84 0.00 0.00 -2.23 0.00 0.00 60.65 59.87 1vlf s ILE 490 Cb -0.16 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1vlf s ILE 490 CO 0.56 0.16 0.00 0.29 -1.23 0.00 0.00 174.94 174.72 1vlf n LYS 491 N 1.77 2.77 -4.29 2.79 4.76 0.58 -4.75 118.16 121.79 1vlf n LYS 491 Ca 0.03 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.27 1vlf n LYS 491 Cb 0.42 -0.90 -0.13 0.00 -1.84 0.00 0.00 35.03 32.58 1vlf n LYS 491 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1vlf s MET 492 N -1.76 0.95 -0.15 1.97 1.75 -0.88 -0.82 119.30 120.35 1vlf s MET 492 Ca 0.00 -0.92 -0.01 0.00 -1.25 0.00 0.00 55.69 53.51 1vlf s MET 492 Cb 0.00 -1.01 0.04 0.00 2.84 0.00 0.00 34.83 36.70 1vlf s MET 492 CO 0.00 0.24 -0.05 0.12 -0.65 0.00 0.00 175.02 174.67 1vlf s PHE 493 N -1.08 1.60 -0.48 4.11 5.99 -0.03 -0.54 117.98 127.56 1vlf s PHE 493 Ca 0.01 -0.96 -0.11 0.00 0.00 0.00 0.00 56.93 55.87 1vlf s PHE 493 Cb -0.09 -1.27 0.11 0.00 0.00 0.00 0.00 43.02 41.77 1vlf s PHE 493 CO 0.02 -0.58 0.36 -0.46 -0.00 0.00 0.00 175.22 174.56 1vlf s TRP 494 N 1.67 3.38 -0.02 10.12 -0.11 0.85 -0.80 118.94 134.03 1vlf s TRP 494 Ca 0.02 -1.69 -0.17 0.00 1.22 0.00 0.00 56.10 55.48 1vlf s TRP 494 Cb -0.15 -3.47 -0.05 0.00 -1.50 0.00 0.00 33.47 28.30 1vlf s TRP 494 CO -0.08 -0.97 0.46 0.15 -4.62 0.00 0.00 176.95 171.89 1vlf s LYS 495 N 1.42 4.11 -0.37 5.86 1.02 0.21 -2.95 119.74 129.04 1vlf s LYS 495 Ca 0.05 0.49 -0.02 0.00 0.02 0.00 0.00 55.97 56.51 1vlf s LYS 495 Cb -0.26 -3.29 0.09 0.00 -0.52 0.00 0.00 37.83 33.85 1vlf s LYS 495 CO 0.01 0.52 0.12 -0.47 -0.92 0.00 0.00 175.35 174.61 1vlf s TYR 496 N -0.59 3.51 0.00 3.18 5.04 -1.05 0.08 117.35 127.52 1vlf s TYR 496 Ca 0.25 -2.31 0.00 0.00 -2.44 0.00 0.00 57.07 52.57 1vlf s TYR 496 Cb -0.17 -2.83 0.00 0.00 0.35 0.00 0.00 41.96 39.31 1vlf s TYR 496 CO 0.14 -0.91 0.00 0.41 -1.34 0.00 0.00 175.55 173.84 1vlf n GLY 497 N 4.56 -0.80 2.72 8.97 0.00 -0.48 -3.95 105.19 116.20 1vlf n GLY 497 Ca -0.05 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.19 1vlf n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vlf n GLY 498 N -0.82 0.67 0.72 -0.02 0.00 -1.26 -4.82 105.19 99.65 1vlf n GLY 498 Ca 0.00 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1vlf n GLY 498 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vlf n PRO 499 N 0.08 1.81 0.03 1.61 -0.04 -1.26 -0.74 135.00 136.49 1vlf n PRO 499 Ca 0.02 -1.44 0.21 0.00 -0.04 0.00 0.00 63.50 62.25 1vlf n PRO 499 Cb 0.74 -1.47 0.72 0.00 -0.04 0.00 0.00 33.50 33.45 1vlf n PRO 499 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vlf h HIS 500 N 3.52 0.00 0.00 0.54 3.86 -1.96 0.65 115.15 121.76 1vlf h HIS 500 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1vlf h HIS 500 Cb 0.84 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.30 1vlf h HIS 500 CO 0.00 0.00 -0.15 -0.07 0.86 0.00 0.00 177.93 178.57 1vlf h LEU 501 N 0.00 0.00 -0.09 2.43 3.38 -1.89 -2.20 115.31 116.94 1vlf h LEU 501 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1vlf h LEU 501 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1vlf h LEU 501 CO -0.00 0.15 -0.64 0.61 0.09 0.00 0.00 178.44 178.65 1vlf n GLY 502 N -0.49 -0.33 0.00 0.83 0.00 0.14 -4.53 105.19 100.81 1vlf n GLY 502 Ca -0.01 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.61 1vlf n GLY 502 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vlf n THR 503 N -1.22 0.00 -0.38 2.61 -2.24 -0.74 -1.85 114.28 110.46 1vlf n THR 503 Ca 0.03 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1vlf n THR 503 Cb 0.23 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1vlf n THR 503 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1vlf n MET 504 N -1.40 3.53 -4.79 -0.78 2.81 -0.84 -4.96 117.12 110.68 1vlf n MET 504 Ca -0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 1vlf n MET 504 Cb 0.07 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.43 1vlf n MET 504 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1vlf s THR 505 N 2.43 2.06 -1.06 2.03 -4.23 -1.26 -4.75 115.64 110.86 1vlf s THR 505 Ca 0.00 -1.40 -0.15 0.00 -1.18 0.00 0.00 61.69 58.96 1vlf s THR 505 Cb 0.00 -1.77 0.02 0.00 1.34 0.00 0.00 72.50 72.09 1vlf s THR 505 CO 0.00 0.30 0.27 0.00 -0.54 0.00 0.00 174.62 174.65 1vlf n ALA 506 N 1.68 -2.02 0.01 3.99 0.00 0.46 -4.72 120.51 119.91 1vlf n ALA 506 Ca -0.17 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1vlf n ALA 506 Cb 0.52 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.68 1vlf n ALA 506 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vlf n THR 507 N -3.96 1.79 0.30 0.00 -2.24 -1.04 -2.83 114.28 106.30 1vlf n THR 507 Ca -0.16 0.51 0.16 0.00 -2.27 0.00 0.00 64.05 62.29 1vlf n THR 507 Cb 0.48 -1.51 0.94 0.00 -2.10 0.00 0.00 70.33 68.14 1vlf n THR 507 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1vlf h ASN 508 N 0.00 0.00 0.48 3.42 2.35 -1.85 -0.51 115.58 119.47 1vlf h ASN 508 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1vlf h ASN 508 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1vlf h ASN 508 CO 0.00 0.03 -0.30 0.08 -1.65 0.00 0.00 177.43 175.59 1vlf h ARG 509 N 0.00 0.00 -0.12 0.81 0.11 -1.84 -2.02 114.38 111.32 1vlf h ARG 509 Ca -0.00 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.92 1vlf h ARG 509 Cb 0.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 1vlf h ARG 509 CO 0.00 0.30 -0.61 1.88 0.10 0.00 0.00 179.97 181.65 1vlf h TYR 510 N 0.00 0.50 -0.40 4.08 -1.99 -1.34 -2.62 116.97 115.20 1vlf h TYR 510 Ca -0.00 -0.19 -0.15 0.00 2.00 0.00 0.00 58.73 60.38 1vlf h TYR 510 Cb 0.62 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 1vlf h TYR 510 CO 0.00 0.90 -0.35 0.00 -0.00 0.00 0.00 178.16 178.71 1vlf h ALA 511 N 1.06 0.61 -0.60 3.88 0.00 -1.41 -3.25 119.26 119.54 1vlf h ALA 511 Ca -0.01 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1vlf h ALA 511 Cb 1.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1vlf h ALA 511 CO 0.10 0.68 0.07 0.87 0.00 0.00 0.00 179.25 180.97 1vlf h LYS 512 N 0.78 1.00 -0.10 0.00 1.57 -1.29 -3.19 116.57 115.34 1vlf h LYS 512 Ca 0.07 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1vlf h LYS 512 Cb 0.94 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1vlf h LYS 512 CO 0.09 0.94 0.07 0.00 -0.57 0.00 0.00 179.45 179.98 1vlf h MET 513 N 0.93 0.00 -0.28 3.15 -0.00 -1.50 -2.86 114.93 114.37 1vlf h MET 513 Ca 0.18 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.89 1vlf h MET 513 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.04 1vlf h MET 513 CO 0.02 0.00 0.19 1.88 -0.00 0.00 0.00 176.91 178.99 1vlf h TYR 514 N 0.00 0.33 -0.14 -0.10 -1.99 -1.68 -2.22 116.97 111.17 1vlf h TYR 514 Ca 0.05 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1vlf h TYR 514 Cb 0.19 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1vlf h TYR 514 CO 0.00 0.21 0.00 0.25 -0.00 0.00 0.00 178.16 178.62 1vlf n THR 515 N -4.50 0.18 -2.11 -2.88 -2.24 -1.08 -4.84 114.28 96.81 1vlf n THR 515 Ca 0.01 -0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 1vlf n THR 515 Cb 0.09 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 1vlf n THR 515 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1vlf s HIS 516 N -1.82 3.14 -0.72 4.78 5.04 -0.84 -3.99 115.29 120.89 1vlf s HIS 516 Ca 0.32 1.09 0.14 0.00 -1.54 0.00 0.00 55.06 55.07 1vlf s HIS 516 Cb 0.17 -3.72 0.64 0.00 0.04 0.00 0.00 32.58 29.72 1vlf s HIS 516 CO 0.26 -2.33 1.43 -0.40 -2.34 0.00 0.00 174.74 171.36 1vlf n ASP 517 N 2.66 0.27 0.21 9.88 5.75 -1.26 -2.01 116.55 132.04 1vlf n ASP 517 Ca 0.07 0.59 0.09 0.00 -0.01 0.00 0.00 54.79 55.54 1vlf n ASP 517 Cb 0.41 -0.64 0.30 0.00 -1.03 0.00 0.00 41.12 40.16 1vlf n ASP 517 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1vlf h SER 518 N 0.00 0.00 -2.31 -1.12 4.64 -1.90 -3.40 113.55 109.46 1vlf h SER 518 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1vlf h SER 518 Cb 0.15 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.14 1vlf h SER 518 CO 0.00 0.22 0.97 -0.76 -0.87 0.00 0.00 176.83 176.39 1vlf s LEU 519 N -6.48 3.56 0.30 5.97 1.43 -0.85 -4.57 118.68 118.03 1vlf s LEU 519 Ca 0.03 -0.74 0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1vlf s LEU 519 Cb 0.08 -2.52 0.27 0.00 0.03 0.00 0.00 46.19 44.05 1vlf s LEU 519 CO 0.66 -1.68 1.54 -0.33 0.23 0.00 0.00 176.35 176.76 1vlf h GLU 520 N 9.85 0.00 -2.41 1.70 5.08 -1.20 -3.46 114.58 124.13 1vlf h GLU 520 Ca -0.22 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1vlf h GLU 520 Cb 1.05 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.07 1vlf h GLU 520 CO 1.27 0.51 -0.12 0.12 -1.00 0.00 0.00 179.01 179.78 1vlf s PHE 521 N -3.18 -0.68 -0.09 4.33 5.36 -1.17 -5.04 117.98 117.51 1vlf s PHE 521 Ca 0.02 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 57.52 1vlf s PHE 521 Cb 0.09 0.30 0.02 0.00 -0.34 0.00 0.00 43.02 43.09 1vlf s PHE 521 CO 0.73 -0.35 -0.09 0.08 -1.46 0.00 0.00 175.22 174.14 1vlf s VAL 522 N 0.84 1.02 -0.03 3.12 1.01 -1.26 -0.85 120.40 124.26 1vlf s VAL 522 Ca -0.04 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.68 1vlf s VAL 522 Cb -0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1vlf s VAL 522 CO -0.07 0.35 -0.26 -0.69 0.00 0.00 0.00 175.10 174.44 1vlf s VAL 523 N 1.31 2.07 -0.16 2.92 1.01 0.02 -0.58 120.40 126.97 1vlf s VAL 523 Ca -0.03 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1vlf s VAL 523 Cb -0.14 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.56 1vlf s VAL 523 CO -0.04 0.58 -0.11 -0.55 0.00 0.00 0.00 175.10 174.98 1vlf s SER 524 N -0.56 2.90 -0.46 3.32 0.15 -0.14 0.67 113.70 119.58 1vlf s SER 524 Ca 0.08 -0.63 -0.11 0.00 0.70 0.00 0.00 55.95 56.00 1vlf s SER 524 Cb -0.10 -1.13 0.10 0.00 -1.71 0.00 0.00 66.02 63.17 1vlf s SER 524 CO -0.00 -0.11 0.33 -1.58 1.20 0.00 0.00 173.24 173.08 1vlf s GLN 525 N 1.50 2.66 0.30 5.44 0.74 0.11 -0.41 119.66 130.01 1vlf s GLN 525 Ca 0.02 -1.57 0.03 0.00 0.05 0.00 0.00 55.36 53.90 1vlf s GLN 525 Cb -0.14 -3.94 -0.03 0.00 1.10 0.00 0.00 33.01 30.00 1vlf s GLN 525 CO -0.09 -1.08 0.29 -1.12 -0.55 0.00 0.00 175.29 172.74 1vlf s SER 526 N 2.53 1.17 -0.25 6.67 0.01 -0.86 -1.39 113.70 121.58 1vlf s SER 526 Ca 0.04 -1.61 -0.04 0.00 1.31 0.00 0.00 55.95 55.66 1vlf s SER 526 Cb -0.25 0.54 -0.14 0.00 0.21 0.00 0.00 66.02 66.38 1vlf s SER 526 CO 0.02 -1.07 -0.26 -0.38 0.41 0.00 0.00 173.24 171.96 1vlf n ILE 527 N -0.53 1.40 -4.41 1.44 5.41 -1.26 -0.82 119.36 120.58 1vlf n ILE 527 Ca 0.05 -0.47 -0.30 0.00 1.00 0.00 0.00 62.75 63.03 1vlf n ILE 527 Cb 0.63 -1.54 -0.12 0.00 -0.71 0.00 0.00 39.64 37.90 1vlf n ILE 527 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1vlf s TRP 528 N -2.48 2.58 -0.79 1.39 0.51 -1.26 -1.76 118.94 117.12 1vlf s TRP 528 Ca -0.34 -0.24 -0.23 0.00 -2.12 0.00 0.00 56.10 53.17 1vlf s TRP 528 Cb 0.10 -1.40 0.07 0.00 -0.81 0.00 0.00 33.47 31.44 1vlf s TRP 528 CO 0.52 0.35 1.14 0.12 -0.51 0.00 0.00 176.95 178.57 1vlf s PHE 529 N -1.08 2.67 0.22 -1.98 5.36 0.11 -4.79 117.98 118.50 1vlf s PHE 529 Ca 0.17 -0.69 -0.21 0.00 -0.96 0.00 0.00 56.93 55.24 1vlf s PHE 529 Cb -0.11 -4.42 0.07 0.00 -0.34 0.00 0.00 43.02 38.22 1vlf s PHE 529 CO 0.09 -1.74 0.96 -1.83 -1.46 0.00 0.00 175.22 171.24 1vlf s GLU 530 N 4.23 1.49 4.57 10.12 -1.05 -1.26 -4.93 118.70 131.87 1vlf s GLU 530 Ca 0.31 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 1vlf s GLU 530 Cb -0.10 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1vlf s GLU 530 CO 0.03 -0.70 0.00 0.41 0.95 0.00 0.00 175.26 175.96 1vlf n GLY 531 N -0.61 3.39 0.04 -3.83 0.00 -1.18 -1.58 105.19 101.42 1vlf n GLY 531 Ca -0.05 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1vlf n GLY 531 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vlf n GLU 532 N 14.00 0.10 -0.34 1.61 1.02 0.08 -4.17 120.64 132.95 1vlf n GLU 532 Ca 0.00 0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.30 1vlf n GLU 532 Cb 0.00 -1.61 0.25 0.00 -0.02 0.00 0.00 31.44 30.05 1vlf n GLU 532 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1vlf h VAL 533 N 0.00 0.83 0.00 2.62 2.07 -1.51 -2.06 116.25 118.21 1vlf h VAL 533 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1vlf h VAL 533 Cb 0.59 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1vlf h VAL 533 CO 0.00 0.15 0.00 -2.65 0.02 0.00 0.00 177.57 175.09 1vlf n PRO 534 N -4.72 0.40 0.00 1.57 -0.02 -1.26 -2.00 135.00 128.97 1vlf n PRO 534 Ca 0.19 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.75 1vlf n PRO 534 Cb 0.41 -1.14 -0.01 0.00 -0.02 0.00 0.00 33.50 32.74 1vlf n PRO 534 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1vlf n PHE 535 N -0.64 0.00 -2.31 6.00 3.01 -0.77 -3.43 117.46 119.32 1vlf n PHE 535 Ca 0.03 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.17 1vlf n PHE 535 Cb 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.46 1vlf n PHE 535 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vlf s ALA 536 N -2.01 3.04 -0.03 4.37 0.00 -0.85 -4.49 121.76 121.80 1vlf s ALA 536 Ca 0.13 0.17 -0.09 0.00 0.00 0.00 0.00 51.96 52.17 1vlf s ALA 536 Cb 0.13 -3.12 -0.30 0.00 0.00 0.00 0.00 23.12 19.83 1vlf s ALA 536 CO 0.44 -0.33 0.76 -0.44 0.00 0.00 0.00 175.76 176.19 1vlf h ASP 537 N 0.74 0.57 -3.54 0.00 3.32 -1.19 -3.40 116.42 112.92 1vlf h ASP 537 Ca -0.46 -0.81 -0.41 0.00 0.02 0.00 0.00 57.03 55.36 1vlf h ASP 537 Cb 1.19 -0.19 -0.33 0.00 0.22 0.00 0.00 39.33 40.22 1vlf h ASP 537 CO 0.61 1.68 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.40 1vlf s ILE 538 N -2.59 0.61 -0.12 0.35 -1.09 -1.04 -0.76 121.20 116.56 1vlf s ILE 538 Ca -0.13 -0.19 0.02 0.00 -2.23 0.00 0.00 60.65 58.12 1vlf s ILE 538 Cb 0.06 -0.60 -0.00 0.00 -1.58 0.00 0.00 42.46 40.33 1vlf s ILE 538 CO 0.86 0.23 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.98 1vlf s ILE 539 N 0.71 2.46 -0.18 2.92 1.01 -0.16 -0.96 121.20 127.00 1vlf s ILE 539 Ca -0.10 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 1vlf s ILE 539 Cb -0.13 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.35 1vlf s ILE 539 CO 0.01 0.54 -0.11 -0.76 0.00 0.00 0.00 174.94 174.62 1vlf s LEU 540 N 0.45 2.65 -0.30 2.97 1.43 0.45 -1.68 118.68 124.66 1vlf s LEU 540 Ca -0.14 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 1vlf s LEU 540 Cb -0.17 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 1vlf s LEU 540 CO 0.06 0.05 1.35 -2.84 0.23 0.00 0.00 176.35 175.20 1vlf s PRO 541 N 1.03 3.87 0.29 1.29 0.02 -1.26 -2.04 135.00 138.20 1vlf s PRO 541 Ca -0.01 1.27 0.06 0.00 0.02 0.00 0.00 61.00 62.35 1vlf s PRO 541 Cb -0.15 -3.91 -0.03 0.00 0.02 0.00 0.00 34.50 30.44 1vlf s PRO 541 CO -0.02 -1.18 0.33 0.00 -0.33 0.00 0.00 177.00 175.80 1vlf s ALA 542 N 4.57 3.90 0.40 -1.55 0.00 -0.00 -1.90 121.76 127.17 1vlf s ALA 542 Ca 0.59 -1.43 0.08 0.00 0.00 0.00 0.00 51.96 51.19 1vlf s ALA 542 Cb -0.17 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1vlf s ALA 542 CO 0.25 0.12 0.23 0.00 0.00 0.00 0.00 175.76 176.36 1vlf s THR 544 N -2.53 2.03 -1.27 0.00 -4.23 -1.26 -4.83 115.64 103.55 1vlf s THR 544 Ca 0.42 -0.03 0.12 0.00 -1.18 0.00 0.00 61.69 61.02 1vlf s THR 544 Cb 0.01 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 71.02 1vlf s THR 544 CO 0.24 0.00 1.33 -0.46 -0.54 0.00 0.00 174.62 175.19 1vlf n ASN 545 N -3.30 0.00 -0.09 3.99 6.94 -1.26 -1.80 115.26 119.74 1vlf n ASN 545 Ca 0.08 0.26 0.13 0.00 -0.02 0.00 0.00 54.58 55.03 1vlf n ASN 545 Cb 0.61 -0.37 0.44 0.00 -2.36 0.00 0.00 39.78 38.10 1vlf n ASN 545 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1vlf n PHE 546 N -1.37 0.00 -1.01 -2.53 3.01 -1.26 -3.66 117.46 110.64 1vlf n PHE 546 Ca 0.05 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.59 1vlf n PHE 546 Cb 0.11 -0.24 0.27 0.00 -0.01 0.00 0.00 39.48 39.62 1vlf n PHE 546 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1vlf n GLU 547 N -1.14 3.05 -3.75 -1.08 1.02 -0.74 -1.50 120.64 116.49 1vlf n GLU 547 Ca 0.10 -2.89 -0.09 0.00 -0.02 0.00 0.00 57.16 54.26 1vlf n GLU 547 Cb 0.32 -1.89 -0.02 0.00 -0.02 0.00 0.00 31.44 29.83 1vlf n GLU 547 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1vlf s ARG 548 N -2.85 1.59 0.08 3.49 1.70 -1.24 -4.40 118.95 117.33 1vlf s ARG 548 Ca 0.44 -0.87 -0.14 0.00 -0.47 0.00 0.00 55.73 54.68 1vlf s ARG 548 Cb 0.35 0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 35.25 1vlf s ARG 548 CO 0.09 -0.71 0.48 -1.58 -1.08 0.00 0.00 175.30 172.50 1vlf s TRP 549 N -3.88 3.67 0.26 5.89 0.52 -1.26 -3.53 118.94 120.62 1vlf s TRP 549 Ca 0.09 1.03 -0.20 0.00 0.02 0.00 0.00 56.10 57.04 1vlf s TRP 549 Cb -0.04 -2.33 0.07 0.00 -1.15 0.00 0.00 33.47 30.02 1vlf s TRP 549 CO 0.01 0.54 0.95 0.34 0.02 0.00 0.00 176.95 178.81 1vlf s ASP 550 N -1.43 0.01 -0.01 2.95 -1.08 -0.73 -4.78 116.67 111.60 1vlf s ASP 550 Ca 0.31 -0.86 -0.06 0.00 -0.52 0.00 0.00 52.55 51.42 1vlf s ASP 550 Cb -0.16 0.63 0.00 0.00 -1.46 0.00 0.00 42.92 41.94 1vlf s ASP 550 CO 0.17 -1.26 0.12 -0.51 0.52 0.00 0.00 175.17 174.22 1vlf s ILE 551 N -2.20 0.07 0.10 4.11 2.07 -1.26 -0.46 121.20 123.64 1vlf s ILE 551 Ca 0.20 -0.56 -0.26 0.00 -1.41 0.00 0.00 60.65 58.61 1vlf s ILE 551 Cb -0.04 -0.37 0.08 0.00 0.13 0.00 0.00 42.46 42.27 1vlf s ILE 551 CO 0.08 -0.31 1.09 -0.94 -1.91 0.00 0.00 174.94 172.95 1vlf s SER 552 N -1.08 -0.09 0.03 4.50 1.04 -1.05 -1.34 113.70 115.71 1vlf s SER 552 Ca -0.12 -0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.00 1vlf s SER 552 Cb -0.06 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 1vlf s SER 552 CO 0.01 -0.72 -0.20 -0.70 0.98 0.00 0.00 173.24 172.61 1vlf s GLU 553 N -2.69 1.44 -0.44 4.02 2.12 -1.26 -1.15 118.70 120.74 1vlf s GLU 553 Ca 0.16 -0.87 -0.39 0.00 0.36 0.00 0.00 54.97 54.23 1vlf s GLU 553 Cb 0.00 -1.51 -0.15 0.00 0.26 0.00 0.00 34.13 32.73 1vlf s GLU 553 CO 0.01 0.39 2.18 0.34 -0.54 0.00 0.00 175.26 177.65 1vlf n PHE 554 N 2.05 1.36 -1.32 5.30 -0.00 0.17 -1.61 117.46 123.41 1vlf n PHE 554 Ca -0.17 0.51 -0.12 0.00 -0.00 0.00 0.00 57.45 57.68 1vlf n PHE 554 Cb 0.53 -2.42 -0.05 0.00 -0.00 0.00 0.00 39.48 37.55 1vlf n PHE 554 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1vlf n ALA 555 N 8.82 -0.18 -2.64 3.13 0.00 -1.26 -4.73 120.51 123.65 1vlf n ALA 555 Ca 0.48 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.69 1vlf n ALA 555 Cb 0.10 -1.76 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 1vlf n ALA 555 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1vlf s ASN 556 N -2.38 6.28 -0.25 0.00 3.84 -0.63 -4.34 114.94 117.46 1vlf s ASN 556 Ca 0.00 -0.39 -0.13 0.00 0.21 0.00 0.00 52.86 52.56 1vlf s ASN 556 Cb 0.00 -2.50 -0.15 0.00 -0.55 0.00 0.00 41.25 38.05 1vlf s ASN 556 CO 0.00 -1.51 -0.16 0.00 -2.79 0.00 0.00 177.10 172.65 1vlf n SER 558 N -4.10 -1.53 0.00 0.00 2.88 -1.21 -1.61 113.62 108.06 1vlf n SER 558 Ca -0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 1vlf n SER 558 Cb 0.87 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 1vlf n SER 558 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vlf n GLY 559 N 0.00 1.39 0.00 0.46 0.00 -1.26 -1.67 105.19 104.12 1vlf n GLY 559 Ca 0.00 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1vlf n GLY 559 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1vlf n TYR 560 N 0.06 0.00 -3.19 1.61 0.18 -1.26 -3.28 117.16 111.28 1vlf n TYR 560 Ca 0.00 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.56 1vlf n TYR 560 Cb 0.00 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 38.91 1vlf n TYR 560 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 1vlf n ILE 561 N -1.00 0.17 -1.59 -3.48 5.41 -0.67 -4.25 119.36 113.95 1vlf n ILE 561 Ca 0.20 -4.50 -0.53 0.00 1.00 0.00 0.00 62.75 58.92 1vlf n ILE 561 Cb 0.09 -1.30 -0.06 0.00 -0.71 0.00 0.00 39.64 37.66 1vlf n ILE 561 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1vlf n PRO 562 N 0.78 0.99 -3.92 0.38 -0.02 -1.20 -2.24 135.00 129.77 1vlf n PRO 562 Ca 0.24 0.36 -0.30 0.00 -2.02 0.00 0.00 63.50 61.78 1vlf n PRO 562 Cb 0.55 -1.98 0.02 0.00 -0.02 0.00 0.00 33.50 32.07 1vlf n PRO 562 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1vlf n ASP 563 N 2.61 -4.19 0.00 2.55 8.00 -1.26 -4.87 116.55 119.39 1vlf n ASP 563 Ca 0.19 -0.81 0.12 0.00 0.71 0.00 0.00 54.79 55.00 1vlf n ASP 563 Cb 0.17 -3.80 0.69 0.00 -0.02 0.00 0.00 41.12 38.15 1vlf n ASP 563 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1vlf n ASN 564 N -2.85 0.00 0.11 -2.24 2.04 -0.95 -2.63 115.26 108.75 1vlf n ASN 564 Ca -0.00 -0.91 0.10 0.00 -0.44 0.00 0.00 54.58 53.32 1vlf n ASN 564 Cb 0.54 0.00 0.45 0.00 -2.53 0.00 0.00 39.78 38.24 1vlf n ASN 564 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1vlf n TYR 565 N -0.94 0.60 0.95 -2.53 4.11 -1.26 -1.54 117.16 116.54 1vlf n TYR 565 Ca 0.17 0.27 0.02 0.00 -0.00 0.00 0.00 57.90 58.36 1vlf n TYR 565 Cb 0.08 -0.94 0.11 0.00 -0.00 0.00 0.00 39.34 38.59 1vlf n TYR 565 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1vlf n GLN 566 N -2.08 0.47 0.16 -3.48 10.64 -1.08 -1.34 117.38 120.67 1vlf n GLN 566 Ca 0.01 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.25 1vlf n GLN 566 Cb 0.12 -1.12 0.08 0.00 -0.86 0.00 0.00 30.24 28.46 1vlf n GLN 566 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1vlf h LEU 567 N 0.00 0.00-10.29 2.61 3.38 -1.45 -3.13 115.31 106.43 1vlf h LEU 567 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1vlf h LEU 567 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1vlf h LEU 567 CO 0.00 0.25 -0.23 0.00 0.09 0.00 0.00 178.44 178.55 1vlf h ASN 569 N 0.73 0.00 -4.73 0.00 2.35 -1.86 -3.46 115.58 108.60 1vlf h ASN 569 Ca -0.48 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.14 1vlf h ASN 569 Cb 1.24 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.40 1vlf h ASN 569 CO 0.58 0.00 -0.34 -1.00 -1.65 0.00 0.00 177.43 175.02 1vlf s HIS 570 N -3.20 -0.16 -0.30 1.19 3.76 -1.26 -4.85 115.29 110.47 1vlf s HIS 570 Ca 0.08 0.29 -0.23 0.00 -0.15 0.00 0.00 55.06 55.05 1vlf s HIS 570 Cb 0.07 0.07 -0.00 0.00 1.11 0.00 0.00 32.58 33.82 1vlf s HIS 570 CO 0.65 -0.32 0.76 1.03 -0.85 0.00 0.00 174.74 176.01 1vlf s ARG 571 N -1.01 3.97 -0.19 1.40 0.52 -1.26 -4.94 118.95 117.44 1vlf s ARG 571 Ca -0.11 0.56 0.01 0.00 -0.52 0.00 0.00 55.73 55.67 1vlf s ARG 571 Cb -0.05 -3.72 0.03 0.00 0.52 0.00 0.00 34.95 31.73 1vlf s ARG 571 CO 0.03 -0.64 -0.14 0.08 0.02 0.00 0.00 175.30 174.65 1vlf s VAL 572 N 2.87 1.75 -0.24 3.52 1.01 -1.26 -1.45 120.40 126.61 1vlf s VAL 572 Ca 0.31 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1vlf s VAL 572 Cb -0.14 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1vlf s VAL 572 CO 0.12 0.31 0.11 -0.63 0.00 0.00 0.00 175.10 175.01 1vlf s ILE 573 N 1.38 4.84 0.09 2.22 1.01 -0.41 -0.66 121.20 129.66 1vlf s ILE 573 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.72 1vlf s ILE 573 Cb -0.15 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1vlf s ILE 573 CO -0.10 0.35 -0.14 -0.94 0.00 0.00 0.00 174.94 174.12 1vlf s SER 574 N 1.23 1.75 -0.09 3.58 1.04 -0.30 0.09 113.70 121.01 1vlf s SER 574 Ca 0.06 -0.71 -0.26 0.00 0.48 0.00 0.00 55.95 55.52 1vlf s SER 574 Cb -0.14 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 1vlf s SER 574 CO 0.05 -0.13 0.81 -0.22 0.98 0.00 0.00 173.24 174.73 1vlf s LEU 575 N -2.09 4.28 -0.84 2.42 2.96 0.26 -2.52 118.68 123.15 1vlf s LEU 575 Ca 0.03 1.29 -0.17 0.00 -0.22 0.00 0.00 54.13 55.05 1vlf s LEU 575 Cb -0.07 -3.25 0.16 0.00 0.50 0.00 0.00 46.19 43.53 1vlf s LEU 575 CO 0.02 -0.25 0.94 -1.10 -1.32 0.00 0.00 176.35 174.64 1vlf s GLN 576 N 1.35 3.52 0.33 1.98 -0.21 0.40 -3.64 119.66 123.39 1vlf s GLN 576 Ca 0.41 -1.92 -0.28 0.00 0.02 0.00 0.00 55.36 53.59 1vlf s GLN 576 Cb -0.18 -4.65 -0.09 0.00 1.00 0.00 0.00 33.01 29.09 1vlf s GLN 576 CO 0.18 -1.58 1.17 0.00 -2.12 0.00 0.00 175.29 172.94 1vlf s ALA 577 N 1.86 3.34 -0.83 6.09 0.00 -0.30 -1.77 121.76 130.14 1vlf s ALA 577 Ca 0.25 1.00 -0.25 0.00 0.00 0.00 0.00 51.96 52.96 1vlf s ALA 577 Cb -0.09 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1vlf s ALA 577 CO -0.07 -0.40 1.66 0.21 0.00 0.00 0.00 175.76 177.16 1vlf s LYS 578 N -1.84 2.98 0.15 0.00 2.20 -1.23 -4.76 119.74 117.24 1vlf s LYS 578 Ca 0.50 -0.29 -0.12 0.00 -0.36 0.00 0.00 55.97 55.71 1vlf s LYS 578 Cb -0.33 -4.80 0.01 0.00 -1.51 0.00 0.00 37.83 31.21 1vlf s LYS 578 CO 0.43 -2.66 1.58 0.00 -0.36 0.00 0.00 175.35 174.34 1vlf s ILE 580 N -4.89 0.31 0.44 0.00 -4.36 -1.12 -4.83 121.20 106.75 1vlf s ILE 580 Ca -0.12 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.06 1vlf s ILE 580 Cb 0.12 -2.57 -0.10 0.00 1.25 0.00 0.00 42.46 41.16 1vlf s ILE 580 CO 0.84 0.00 0.99 -1.61 0.24 0.00 0.00 174.94 175.40 1vlf s GLU 581 N -4.05 4.10 0.20 0.37 0.41 -1.26 -4.40 118.70 114.05 1vlf s GLU 581 Ca 0.38 1.26 -0.32 0.00 -0.41 0.00 0.00 54.97 55.89 1vlf s GLU 581 Cb 0.07 -2.23 -0.15 0.00 -1.78 0.00 0.00 34.13 30.03 1vlf s GLU 581 CO 0.14 -0.16 1.10 -2.30 -0.49 0.00 0.00 175.26 173.54 1vlf n PRO 582 N -0.61 1.13 -2.42 0.39 -0.02 -1.26 -4.88 135.00 127.33 1vlf n PRO 582 Ca 0.07 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 1vlf n PRO 582 Cb 0.53 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.12 1vlf n PRO 582 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vlf s VAL 583 N -0.40 3.64 0.00 -1.45 1.01 -1.26 -4.76 120.40 117.17 1vlf s VAL 583 Ca 0.70 1.41 0.00 0.00 0.00 0.00 0.00 61.98 64.09 1vlf s VAL 583 Cb -0.83 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 31.65 1vlf s VAL 583 CO 0.54 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.49 1vlf n GLY 584 N 2.07 2.43 2.02 4.51 0.00 -1.26 -2.51 105.19 112.45 1vlf n GLY 584 Ca 0.03 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 1vlf n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vlf n GLU 585 N 11.00 3.22 -1.87 1.61 1.02 -0.09 -4.98 120.64 130.55 1vlf n GLU 585 Ca 0.00 -3.07 -0.31 0.00 -0.02 0.00 0.00 57.16 53.76 1vlf n GLU 585 Cb 0.00 -2.19 0.03 0.00 -0.02 0.00 0.00 31.44 29.26 1vlf n GLU 585 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1vlf s SER 586 N -1.19 5.86 0.14 1.62 1.04 -1.04 -4.78 113.70 115.34 1vlf s SER 586 Ca 0.55 1.29 -0.12 0.00 0.48 0.00 0.00 55.95 58.15 1vlf s SER 586 Cb 0.45 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 64.35 1vlf s SER 586 CO 0.12 -1.10 0.34 0.00 0.98 0.00 0.00 173.24 173.59 1vlf s MET 587 N -5.26 1.11 0.72 4.02 0.23 -0.80 -4.71 119.30 114.61 1vlf s MET 587 Ca 0.56 -0.95 -0.15 0.00 -1.03 0.00 0.00 55.69 54.12 1vlf s MET 587 Cb -0.11 0.42 0.03 0.00 -1.53 0.00 0.00 34.83 33.64 1vlf s MET 587 CO 0.53 -0.42 1.23 -1.54 -2.03 0.00 0.00 175.02 172.79 1vlf s SER 588 N -2.88 4.18 0.36 -1.18 1.04 -1.26 -2.02 113.70 111.93 1vlf s SER 588 Ca 0.09 2.44 0.04 0.00 0.48 0.00 0.00 55.95 59.00 1vlf s SER 588 Cb 0.02 -2.60 0.67 0.00 0.10 0.00 0.00 66.02 64.22 1vlf s SER 588 CO -0.06 -2.28 1.98 0.44 0.98 0.00 0.00 173.24 174.30 1vlf h ASP 589 N -0.18 0.60 -0.49 7.02 3.32 -1.94 -1.58 116.42 123.16 1vlf h ASP 589 Ca -0.48 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.49 1vlf h ASP 589 Cb 1.31 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1vlf h ASP 589 CO 0.50 0.50 0.20 0.22 -1.72 0.00 0.00 179.24 178.94 1vlf h TYR 590 N 0.68 0.75 0.00 4.55 5.03 -1.93 -0.93 116.97 125.11 1vlf h TYR 590 Ca 0.17 -0.05 -0.07 0.00 2.58 0.00 0.00 58.73 61.35 1vlf h TYR 590 Cb 0.05 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.10 1vlf h TYR 590 CO 0.00 0.62 -0.35 0.93 -1.32 0.00 0.00 178.16 178.05 1vlf h GLU 591 N 0.66 0.00 -0.16 1.82 4.39 -1.79 0.51 114.58 120.01 1vlf h GLU 591 Ca 0.16 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 1vlf h GLU 591 Cb 0.19 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1vlf h GLU 591 CO -0.01 0.35 -0.10 0.82 -1.16 0.00 0.00 179.01 178.91 1vlf h ILE 592 N 0.00 1.32 -0.18 3.13 2.04 -0.77 -2.16 117.51 120.90 1vlf h ILE 592 Ca -0.00 -1.17 -0.08 0.00 1.00 0.00 0.00 64.86 64.60 1vlf h ILE 592 Cb 0.64 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1vlf h ILE 592 CO 0.05 0.35 -0.24 1.88 0.00 0.00 0.00 178.15 180.18 1vlf h TYR 593 N 0.01 0.35 -0.30 1.37 0.99 -0.89 -1.63 116.97 116.87 1vlf h TYR 593 Ca 0.03 -0.06 -0.08 0.00 2.00 0.00 0.00 58.73 60.62 1vlf h TYR 593 Cb 0.59 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 38.21 1vlf h TYR 593 CO 0.07 0.54 -0.16 -0.09 -0.00 0.00 0.00 178.16 178.52 1vlf h ARG 594 N 0.29 0.54 -0.21 4.88 2.43 -0.78 0.54 114.38 122.06 1vlf h ARG 594 Ca 0.05 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1vlf h ARG 594 Cb 0.58 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1vlf h ARG 594 CO 0.04 0.68 -0.13 1.25 -1.51 0.00 0.00 179.97 180.31 1vlf h LEU 595 N 0.49 0.48 -0.65 3.80 5.85 -0.86 -1.64 115.31 122.79 1vlf h LEU 595 Ca 0.08 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1vlf h LEU 595 Cb 0.56 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1vlf h LEU 595 CO 0.04 0.80 0.25 -0.26 -0.34 0.00 0.00 178.44 178.92 1vlf h PHE 596 N 0.16 1.00 -0.76 1.25 -1.00 -0.96 -2.10 116.94 114.53 1vlf h PHE 596 Ca 0.04 -0.08 0.06 0.00 2.81 0.00 0.00 57.97 60.80 1vlf h PHE 596 Cb 0.63 -0.30 -0.06 0.00 3.61 0.00 0.00 35.95 39.84 1vlf h PHE 596 CO 0.07 0.79 0.45 0.00 -1.61 0.00 0.00 178.31 178.02 1vlf h ALA 597 N 1.10 1.03 -0.33 2.45 0.00 0.20 0.22 119.26 123.92 1vlf h ALA 597 Ca 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1vlf h ALA 597 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1vlf h ALA 597 CO -0.01 0.18 0.20 -0.22 0.00 0.00 0.00 179.25 179.39 1vlf h LYS 598 N 0.84 0.45 0.00 0.00 3.64 -0.91 0.11 116.57 120.70 1vlf h LYS 598 Ca 0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1vlf h LYS 598 Cb 0.15 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1vlf h LYS 598 CO -0.17 0.35 0.00 1.63 -2.27 0.00 0.00 179.45 178.99 1vlf n LYS 599 N -4.81 0.21 -0.08 1.90 5.02 -0.71 -2.18 118.16 117.50 1vlf n LYS 599 Ca -0.01 0.32 0.12 0.00 -2.02 0.00 0.00 58.31 56.72 1vlf n LYS 599 Cb 0.06 -1.82 0.21 0.00 -0.02 0.00 0.00 35.03 33.46 1vlf n LYS 599 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1vlf n LEU 600 N -2.19 2.93 -2.00 -0.35 4.77 0.68 -4.95 117.00 115.89 1vlf n LEU 600 Ca 0.04 -1.12 -0.16 0.00 -0.03 0.00 0.00 56.01 54.74 1vlf n LEU 600 Cb 0.31 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1vlf n LEU 600 CO 0.24 0.56 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.54 1vlf n ASN 601 N 1.21 -4.80 -0.39 -1.43 5.15 -0.59 -4.90 115.26 109.51 1vlf n ASN 601 Ca 0.17 -0.10 0.04 0.00 -0.60 0.00 0.00 54.58 54.09 1vlf n ASN 601 Cb 0.56 -3.81 0.07 0.00 -0.53 0.00 0.00 39.78 36.06 1vlf n ASN 601 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1vlf n ILE 602 N -4.09 0.85 -0.26 -1.44 -5.35 0.28 -4.89 119.36 104.45 1vlf n ILE 602 Ca -0.14 -1.10 0.01 0.00 -0.27 0.00 0.00 62.75 61.25 1vlf n ILE 602 Cb 0.62 0.20 0.13 0.00 -1.74 0.00 0.00 39.64 38.85 1vlf n ILE 602 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1vlf h GLU 603 N 0.10 0.72 -0.29 6.28 4.81 -1.75 -1.69 114.58 122.75 1vlf h GLU 603 Ca -0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1vlf h GLU 603 Cb 1.25 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1vlf h GLU 603 CO 0.01 0.48 0.15 1.49 -0.73 0.00 0.00 179.01 180.40 1vlf h GLU 604 N 0.74 0.41 -0.61 1.92 4.57 -1.91 -0.31 114.58 119.39 1vlf h GLU 604 Ca 0.35 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.43 1vlf h GLU 604 Cb 0.28 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1vlf h GLU 604 CO -0.22 0.38 0.21 0.52 -1.18 0.00 0.00 179.01 178.72 1vlf h MET 605 N 0.34 0.94 0.24 1.92 2.86 -1.88 0.66 114.93 120.02 1vlf h MET 605 Ca 0.10 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1vlf h MET 605 Cb 0.09 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1vlf h MET 605 CO -0.01 0.82 -0.12 0.35 1.06 0.00 0.00 176.91 179.02 1vlf h PHE 606 N 0.87 -0.30 0.00 -0.22 3.57 -1.17 -3.37 116.94 116.32 1vlf h PHE 606 Ca 0.20 -0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.46 1vlf h PHE 606 Cb 0.26 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1vlf h PHE 606 CO 0.02 0.08 -1.24 0.66 -2.23 0.00 0.00 178.31 175.59 1vlf h SER 607 N -0.88 0.00 -2.11 0.41 4.64 -1.13 -3.47 113.55 111.01 1vlf h SER 607 Ca -0.03 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.87 1vlf h SER 607 Cb 0.51 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.52 1vlf h SER 607 CO 0.05 0.94 -0.47 -0.62 -0.87 0.00 0.00 176.83 175.86 1vlf n GLU 608 N -3.20 -1.56 -1.07 4.77 1.02 0.22 -1.33 120.64 119.48 1vlf n GLU 608 Ca -0.06 1.10 -0.02 0.00 -0.02 0.00 0.00 57.16 58.15 1vlf n GLU 608 Cb 0.96 -5.64 -0.01 0.00 -0.02 0.00 0.00 31.44 26.73 1vlf n GLU 608 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vlf n GLY 609 N -0.76 0.55 3.65 0.62 0.00 -1.26 -5.03 105.19 102.96 1vlf n GLY 609 Ca -0.23 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1vlf n GLY 609 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vlf s LYS 610 N -1.35 2.69 0.67 1.61 1.02 -0.44 -5.11 119.74 118.83 1vlf s LYS 610 Ca 0.00 -0.67 0.04 0.00 0.02 0.00 0.00 55.97 55.36 1vlf s LYS 610 Cb 0.00 -2.60 0.12 0.00 -0.52 0.00 0.00 37.83 34.82 1vlf s LYS 610 CO 0.00 0.61 0.93 0.16 -0.92 0.00 0.00 175.35 176.13 1vlf s ASP 611 N -1.57 4.58 0.21 2.83 1.47 -1.26 -4.87 116.67 118.05 1vlf s ASP 611 Ca 0.19 -0.60 -0.10 0.00 1.18 0.00 0.00 52.55 53.22 1vlf s ASP 611 Cb -0.11 0.20 0.27 0.00 -0.34 0.00 0.00 42.92 42.94 1vlf s ASP 611 CO 0.10 -1.71 1.75 -0.33 0.68 0.00 0.00 175.17 175.66 1vlf h GLU 612 N -0.28 0.41 -0.53 2.11 5.08 -1.99 -1.87 114.58 117.50 1vlf h GLU 612 Ca -0.33 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1vlf h GLU 612 Cb 1.27 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1vlf h GLU 612 CO 0.39 0.27 0.24 1.25 -1.00 0.00 0.00 179.01 180.17 1vlf h LEU 613 N 0.42 0.66 -0.53 1.33 5.85 -1.95 -0.77 115.31 120.33 1vlf h LEU 613 Ca 0.30 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 1vlf h LEU 613 Cb 0.36 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1vlf h LEU 613 CO -0.30 0.57 0.02 0.00 -0.34 0.00 0.00 178.44 178.40 1vlf h ALA 614 N 1.53 0.71 -0.58 1.25 0.00 -1.73 -2.11 119.26 118.33 1vlf h ALA 614 Ca 0.18 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1vlf h ALA 614 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1vlf h ALA 614 CO -0.02 0.51 0.06 -1.49 0.00 0.00 0.00 179.25 178.30 1vlf h TRP 615 N 0.79 1.01 -0.83 0.00 4.06 -0.77 -2.46 115.95 117.75 1vlf h TRP 615 Ca 0.15 -0.14 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 1vlf h TRP 615 Cb 0.50 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 28.34 1vlf h TRP 615 CO 0.04 0.88 0.50 0.00 -3.56 0.00 0.00 178.44 176.29 1vlf h GLU 617 N 1.15 0.99 -0.47 0.00 4.81 -1.20 0.24 114.58 120.10 1vlf h GLU 617 Ca 0.30 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1vlf h GLU 617 Cb -0.03 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1vlf h GLU 617 CO -0.05 1.00 0.10 0.37 -0.73 0.00 0.00 179.01 179.69 1vlf h GLN 618 N 0.87 0.77 -0.11 1.92 4.15 -1.03 -1.97 115.11 119.70 1vlf h GLN 618 Ca 0.15 -0.20 0.01 0.00 0.77 0.00 0.00 58.65 59.39 1vlf h GLN 618 Cb 0.57 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1vlf h GLN 618 CO 0.03 0.77 0.03 -0.92 -1.93 0.00 0.00 178.83 176.82 1vlf h TYR 619 N 0.65 0.06 -0.61 3.99 3.20 -0.38 -2.63 116.97 121.24 1vlf h TYR 619 Ca 0.15 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.11 1vlf h TYR 619 Cb 0.36 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.55 1vlf h TYR 619 CO 0.02 0.03 0.24 0.35 -1.64 0.00 0.00 178.16 177.16 1vlf h PHE 620 N 0.09 0.42 0.00 -3.82 3.57 -0.34 -1.16 116.94 115.71 1vlf h PHE 620 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1vlf h PHE 620 Cb 0.03 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1vlf h PHE 620 CO -0.11 0.12 0.00 0.09 -2.23 0.00 0.00 178.31 176.18 1vlf n ASN 621 N -4.98 0.47 -0.50 0.41 3.02 -0.76 -2.13 115.26 110.79 1vlf n ASN 621 Ca 0.09 0.61 0.13 0.00 -0.03 0.00 0.00 54.58 55.38 1vlf n ASN 621 Cb 0.26 -0.71 0.48 0.00 -0.61 0.00 0.00 39.78 39.20 1vlf n ASN 621 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vlf n ALA 622 N -1.69 2.56 -3.47 5.41 0.00 -0.44 -4.90 120.51 117.98 1vlf n ALA 622 Ca 0.03 -0.47 -0.06 0.00 0.00 0.00 0.00 53.44 52.93 1vlf n ALA 622 Cb 0.22 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1vlf n ALA 622 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vlf n THR 623 N 0.22 0.00 1.24 0.00 -2.24 -0.91 -4.73 114.28 107.87 1vlf n THR 623 Ca 0.18 -0.49 0.13 0.00 -2.27 0.00 0.00 64.05 61.61 1vlf n THR 623 Cb 0.35 -0.49 0.47 0.00 -2.10 0.00 0.00 70.33 68.55 1vlf n THR 623 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1vlf n ASP 624 N -2.14 0.61 -0.28 3.42 10.43 -0.65 -4.30 116.55 123.63 1vlf n ASP 624 Ca 0.00 -0.51 0.08 0.00 2.57 0.00 0.00 54.79 56.94 1vlf n ASP 624 Cb 0.14 0.02 0.24 0.00 1.84 0.00 0.00 41.12 43.36 1vlf n ASP 624 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 1vlf h MET 625 N 0.60 0.45 0.00 -1.24 2.86 -1.79 -0.90 114.93 114.91 1vlf h MET 625 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1vlf h MET 625 Cb 0.45 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1vlf h MET 625 CO 0.00 0.30 0.21 -2.30 1.06 0.00 0.00 176.91 176.17 1vlf n PRO 626 N -5.00 0.04 0.10 -0.22 -0.02 -1.25 -0.03 135.00 128.62 1vlf n PRO 626 Ca 0.18 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 1vlf n PRO 626 Cb 0.50 -1.82 0.42 0.00 -0.02 0.00 0.00 33.50 32.58 1vlf n PRO 626 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vlf n LYS 627 N -1.60 0.24 -0.03 -0.52 5.02 -0.34 -4.03 118.16 116.89 1vlf n LYS 627 Ca -0.00 0.21 -0.04 0.00 -2.02 0.00 0.00 58.31 56.45 1vlf n LYS 627 Cb 0.21 -1.79 -0.04 0.00 -0.02 0.00 0.00 35.03 33.40 1vlf n LYS 627 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1vlf n TYR 628 N -2.21 0.00 -3.47 2.13 4.02 0.96 -5.09 117.16 113.50 1vlf n TYR 628 Ca 0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.81 1vlf n TYR 628 Cb 0.42 -0.28 -0.04 0.00 -0.02 0.00 0.00 39.34 39.42 1vlf n TYR 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vlf s MET 629 N -2.14 1.19 0.88 -0.72 0.23 -0.96 -5.12 119.30 112.66 1vlf s MET 629 Ca -0.07 -0.25 -0.13 0.00 -1.03 0.00 0.00 55.69 54.21 1vlf s MET 629 Cb 0.02 0.55 0.12 0.00 -1.53 0.00 0.00 34.83 33.99 1vlf s MET 629 CO 0.19 -0.47 1.16 0.95 -2.03 0.00 0.00 175.02 174.82 1vlf s THR 630 N -2.91 1.99 0.15 3.16 -4.23 -1.26 -3.89 115.64 108.66 1vlf s THR 630 Ca -0.03 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.33 1vlf s THR 630 Cb -0.01 -2.86 0.03 0.00 1.34 0.00 0.00 72.50 71.00 1vlf s THR 630 CO -0.05 0.00 1.79 -0.25 -0.54 0.00 0.00 174.62 175.56 1vlf h TRP 631 N -1.35 0.58 -0.43 3.99 2.91 -1.97 -1.56 115.95 118.12 1vlf h TRP 631 Ca -0.48 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 59.59 1vlf h TRP 631 Cb 1.32 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.73 1vlf h TRP 631 CO 0.16 0.41 0.16 -0.44 -1.03 0.00 0.00 178.44 177.70 1vlf h ASP 632 N 0.59 0.16 -0.53 2.65 3.45 -1.99 0.24 116.42 121.00 1vlf h ASP 632 Ca 0.16 0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.63 1vlf h ASP 632 Cb -0.01 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.77 1vlf h ASP 632 CO -0.03 0.13 0.18 -0.33 -1.57 0.00 0.00 179.24 177.62 1vlf h GLU 633 N 0.32 0.82 -0.39 3.56 5.08 -1.88 -1.14 114.58 120.95 1vlf h GLU 633 Ca 0.20 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1vlf h GLU 633 Cb 0.19 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1vlf h GLU 633 CO -0.21 0.74 0.05 0.35 -1.00 0.00 0.00 179.01 178.95 1vlf h PHE 634 N 0.73 0.70 -0.62 4.33 3.57 -0.84 -0.39 116.94 124.42 1vlf h PHE 634 Ca 0.17 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1vlf h PHE 634 Cb 0.25 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 1vlf h PHE 634 CO 0.01 0.70 0.34 0.35 -2.23 0.00 0.00 178.31 177.48 1vlf h PHE 635 N 0.50 0.62 -0.57 0.41 3.57 -0.35 0.25 116.94 121.37 1vlf h PHE 635 Ca 0.12 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1vlf h PHE 635 Cb 0.39 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1vlf h PHE 635 CO 0.03 0.30 -0.01 -0.22 -2.23 0.00 0.00 178.31 176.18 1vlf h LYS 636 N 0.63 1.01 -0.10 1.11 3.64 -0.92 -3.21 116.57 118.72 1vlf h LYS 636 Ca 0.28 -0.32 -0.21 0.00 -1.27 0.00 0.00 60.65 59.12 1vlf h LYS 636 Cb 0.17 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1vlf h LYS 636 CO -0.17 1.00 -0.75 -0.22 -2.27 0.00 0.00 179.45 177.04 1vlf h LYS 637 N 0.89 0.69 0.00 1.90 3.64 -0.57 -3.48 116.57 119.64 1vlf h LYS 637 Ca 0.16 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1vlf h LYS 637 Cb 0.56 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1vlf h LYS 637 CO 0.03 1.21 0.00 0.41 -2.27 0.00 0.00 179.45 178.84 1vlf n GLY 638 N 0.81 2.85 3.38 5.01 0.00 0.85 -4.98 105.19 113.12 1vlf n GLY 638 Ca -0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1vlf n GLY 638 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1vlf s TYR 639 N -2.14 -0.41 -0.02 1.61 -0.85 -1.26 0.89 117.35 115.18 1vlf s TYR 639 Ca 0.00 0.53 0.01 0.00 -0.52 0.00 0.00 57.07 57.09 1vlf s TYR 639 Cb 0.00 0.30 0.01 0.00 0.38 0.00 0.00 41.96 42.65 1vlf s TYR 639 CO 0.00 -0.59 -0.03 0.12 -1.52 0.00 0.00 175.55 173.54 1vlf s PHE 640 N -2.03 0.44 -0.38 -3.49 5.36 0.11 -4.99 117.98 113.00 1vlf s PHE 640 Ca -0.08 -0.07 -0.14 0.00 -0.96 0.00 0.00 56.93 55.69 1vlf s PHE 640 Cb -0.01 -0.40 0.01 0.00 -0.34 0.00 0.00 43.02 42.27 1vlf s PHE 640 CO 0.01 -0.10 0.27 0.08 -1.46 0.00 0.00 175.22 174.02 1vlf s VAL 641 N 0.57 5.18 0.28 3.12 1.01 -1.26 -1.29 120.40 128.01 1vlf s VAL 641 Ca -0.06 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 1vlf s VAL 641 Cb -0.09 -3.80 -0.12 0.00 0.00 0.00 0.00 36.38 32.37 1vlf s VAL 641 CO -0.01 -0.19 1.60 0.52 0.00 0.00 0.00 175.10 177.02 1vlf n VAL 642 N 5.12 0.94 -1.09 2.92 0.31 -0.53 -4.31 118.33 121.69 1vlf n VAL 642 Ca -0.12 -0.24 -0.32 0.00 -0.01 0.00 0.00 64.34 63.66 1vlf n VAL 642 Cb 0.48 -1.94 0.12 0.00 -0.91 0.00 0.00 33.84 31.58 1vlf n VAL 642 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1vlf s PRO 643 N -0.38 1.79 0.48 5.55 0.02 -1.26 -4.68 135.00 136.51 1vlf s PRO 643 Ca 0.65 1.41 -0.19 0.00 0.02 0.00 0.00 61.00 62.88 1vlf s PRO 643 Cb -0.50 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.10 1vlf s PRO 643 CO 0.47 -2.03 0.99 0.34 -0.33 0.00 0.00 177.00 176.44 1vlf s ASP 644 N -2.88 6.60 -0.58 2.53 3.68 -1.26 -4.61 116.67 120.15 1vlf s ASP 644 Ca 0.65 1.75 0.06 0.00 2.13 0.00 0.00 52.55 57.14 1vlf s ASP 644 Cb -0.21 -2.54 0.24 0.00 -1.45 0.00 0.00 42.92 38.96 1vlf s ASP 644 CO 0.54 -0.60 0.64 -3.20 0.13 0.00 0.00 175.17 172.69 1vlf n ASN 645 N -1.04 2.58 0.11 -0.34 5.15 -1.26 -4.96 115.26 115.50 1vlf n ASN 645 Ca 0.08 -3.18 0.06 0.00 -0.60 0.00 0.00 54.58 50.94 1vlf n ASN 645 Cb 0.53 -0.67 0.29 0.00 -0.53 0.00 0.00 39.78 39.41 1vlf n ASN 645 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1vlf n PRO 646 N 1.23 0.07 -0.07 1.20 -0.02 -1.26 -2.92 135.00 133.23 1vlf n PRO 646 Ca 0.27 0.52 -0.04 0.00 -2.02 0.00 0.00 63.50 62.23 1vlf n PRO 646 Cb 0.44 -1.91 -0.16 0.00 -0.02 0.00 0.00 33.50 31.84 1vlf n PRO 646 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1vlf n ASN 647 N -1.88 0.15 -4.52 2.55 3.02 -1.26 -4.99 115.26 108.33 1vlf n ASN 647 Ca -0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 1vlf n ASN 647 Cb 0.19 1.27 0.01 0.00 -0.61 0.00 0.00 39.78 40.64 1vlf n ASN 647 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1vlf n ARG 648 N -2.59 0.83 -2.29 3.52 1.85 -1.15 -4.86 116.66 111.98 1vlf n ARG 648 Ca -0.24 0.30 -0.41 0.00 -1.00 0.00 0.00 57.85 56.51 1vlf n ARG 648 Cb 0.97 -1.73 -0.03 0.00 -1.05 0.00 0.00 32.46 30.62 1vlf n ARG 648 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1vlf s LYS 649 N -1.83 4.47 0.00 2.89 -2.85 -1.26 -4.98 119.74 116.18 1vlf s LYS 649 Ca 0.64 2.00 -0.28 0.00 -1.00 0.00 0.00 55.97 57.33 1vlf s LYS 649 Cb -0.57 -3.16 -0.04 0.00 -2.06 0.00 0.00 37.83 32.00 1vlf s LYS 649 CO 0.57 -0.06 0.89 0.15 0.10 0.00 0.00 175.35 176.99 1vlf s LYS 650 N -1.04 4.54 -0.41 1.78 -0.14 -1.26 -5.01 119.74 118.20 1vlf s LYS 650 Ca 0.50 1.26 0.02 0.00 -1.36 0.00 0.00 55.97 56.39 1vlf s LYS 650 Cb -0.35 -3.44 0.13 0.00 -1.68 0.00 0.00 37.83 32.49 1vlf s LYS 650 CO 0.43 0.03 0.21 0.95 -0.76 0.00 0.00 175.35 176.22 1vlf s THR 651 N 0.76 1.24 0.34 2.17 -4.23 -1.26 -5.11 115.64 109.55 1vlf s THR 651 Ca 0.47 -2.31 -0.29 0.00 -1.18 0.00 0.00 61.69 58.38 1vlf s THR 651 Cb -0.20 -1.88 -0.11 0.00 1.34 0.00 0.00 72.50 71.64 1vlf s THR 651 CO 0.25 -0.86 1.43 -0.69 -0.54 0.00 0.00 174.62 174.22 1vlf s VAL 652 N 0.61 2.32 0.09 2.29 1.01 -1.26 -4.43 120.40 121.03 1vlf s VAL 652 Ca 0.16 0.31 -0.37 0.00 0.00 0.00 0.00 61.98 62.09 1vlf s VAL 652 Cb -0.23 -3.20 -0.17 0.00 0.00 0.00 0.00 36.38 32.78 1vlf s VAL 652 CO -0.03 0.07 1.29 0.00 0.00 0.00 0.00 175.10 176.43 1vlf n ALA 653 N 0.88 -1.19 -0.72 5.51 0.00 -0.67 -1.94 120.51 122.39 1vlf n ALA 653 Ca 0.02 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1vlf n ALA 653 Cb 0.40 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1vlf n ALA 653 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vlf n LEU 654 N 2.38 0.99 0.10 0.00 4.77 -1.26 -4.46 117.00 119.52 1vlf n LEU 654 Ca 0.18 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.18 1vlf n LEU 654 Cb 0.19 -1.94 0.36 0.00 -2.33 0.00 0.00 43.42 39.70 1vlf n LEU 654 CO 0.62 -0.72 0.87 -0.09 -1.33 0.00 0.00 177.39 176.74 1vlf h ARG 655 N 0.00 0.28 -0.80 3.23 2.43 -1.48 -0.71 114.38 117.33 1vlf h ARG 655 Ca 0.00 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1vlf h ARG 655 Cb 0.45 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1vlf h ARG 655 CO 0.00 0.42 0.40 0.11 -1.51 0.00 0.00 179.97 179.40 1vlf h TRP 656 N 0.27 1.13 -0.30 2.20 5.08 -1.88 -0.41 115.95 122.03 1vlf h TRP 656 Ca 0.05 -0.04 -0.11 0.00 1.08 0.00 0.00 58.89 59.87 1vlf h TRP 656 Cb 0.41 -0.36 -0.01 0.00 -3.00 0.00 0.00 29.16 26.21 1vlf h TRP 656 CO 0.01 0.81 -0.23 0.35 -1.28 0.00 0.00 178.44 178.09 1vlf h PHE 657 N 1.14 0.82 0.00 0.12 3.57 -1.54 0.13 116.94 121.18 1vlf h PHE 657 Ca 0.28 -0.23 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1vlf h PHE 657 Cb 0.09 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1vlf h PHE 657 CO 0.01 0.96 -0.25 0.00 -2.23 0.00 0.00 178.31 176.80 1vlf h ALA 658 N 0.73 1.59 -0.23 2.41 0.00 -0.81 -2.42 119.26 120.53 1vlf h ALA 658 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1vlf h ALA 658 Cb 0.79 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1vlf h ALA 658 CO 0.06 0.31 0.00 0.39 0.00 0.00 0.00 179.25 180.01 1vlf n GLU 659 N -4.24 2.28 -3.28 0.00 1.02 -0.20 -4.98 120.64 111.24 1vlf n GLU 659 Ca -0.02 -1.90 -0.22 0.00 -0.02 0.00 0.00 57.16 55.00 1vlf n GLU 659 Cb 0.30 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.30 1vlf n GLU 659 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vlf n GLY 660 N 1.38 -0.45 3.68 0.62 0.00 -0.57 -5.02 105.19 104.83 1vlf n GLY 660 Ca 0.17 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 1vlf n GLY 660 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vlf s ARG 661 N -5.96 2.14 0.39 1.61 1.70 -0.07 -4.99 118.95 113.76 1vlf s ARG 661 Ca 0.43 -2.36 -0.27 0.00 -0.47 0.00 0.00 55.73 53.06 1vlf s ARG 661 Cb -0.19 -1.10 -0.10 0.00 -0.57 0.00 0.00 34.95 32.99 1vlf s ARG 661 CO 0.53 -0.47 1.42 -1.21 -1.08 0.00 0.00 175.30 174.49 1vlf s GLU 662 N -3.79 4.01 0.16 3.89 8.01 -1.26 -4.47 118.70 125.24 1vlf s GLU 662 Ca 0.09 2.42 -0.34 0.00 0.01 0.00 0.00 54.97 57.16 1vlf s GLU 662 Cb 0.01 -2.87 -0.14 0.00 -4.31 0.00 0.00 34.13 26.82 1vlf s GLU 662 CO 0.07 -0.55 1.56 1.17 0.01 0.00 0.00 175.26 177.51 1vlf n LYS 663 N 0.29 2.09 0.00 1.61 0.00 -1.00 -4.84 118.16 116.30 1vlf n LYS 663 Ca 0.02 0.75 0.00 0.00 0.00 0.00 0.00 58.31 59.09 1vlf n LYS 663 Cb 0.41 -2.51 0.00 0.00 0.00 0.00 0.00 35.03 32.93 1vlf n LYS 663 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1vlf n ASP 664 N 3.30 0.92 -4.81 3.14 5.75 -1.26 -5.08 116.55 118.51 1vlf n ASP 664 Ca 0.17 -1.40 -0.24 0.00 -0.01 0.00 0.00 54.79 53.31 1vlf n ASP 664 Cb 0.28 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.45 1vlf n ASP 664 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1vlf s THR 665 N -0.40 2.33 -2.00 2.12 -4.23 -1.26 -4.92 115.64 107.28 1vlf s THR 665 Ca 0.00 -0.44 0.15 0.00 -1.18 0.00 0.00 61.69 60.21 1vlf s THR 665 Cb 0.00 -2.88 0.41 0.00 1.34 0.00 0.00 72.50 71.37 1vlf s THR 665 CO 0.00 0.00 1.51 -2.65 -0.54 0.00 0.00 174.62 172.94 1vlf n PRO 666 N -2.81 0.94 -1.55 3.99 -0.02 -1.26 -4.92 135.00 129.37 1vlf n PRO 666 Ca 0.10 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.21 1vlf n PRO 666 Cb 0.60 -1.24 0.06 0.00 -0.02 0.00 0.00 33.50 32.89 1vlf n PRO 666 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1vlf n ASP 667 N -0.74 0.31 -0.15 2.55 2.03 -1.26 -4.87 116.55 114.42 1vlf n ASP 667 Ca 0.11 0.76 0.03 0.00 0.52 0.00 0.00 54.79 56.21 1vlf n ASP 667 Cb 0.05 -1.35 0.15 0.00 -0.72 0.00 0.00 41.12 39.26 1vlf n ASP 667 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1vlf n TRP 668 N -1.88 0.10 -3.83 -0.67 7.02 -1.26 -4.87 117.44 112.04 1vlf n TRP 668 Ca 0.13 -0.05 -0.07 0.00 -1.02 0.00 0.00 57.50 56.50 1vlf n TRP 668 Cb 0.48 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 1vlf n TRP 668 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1vlf s GLY 669 N -1.14 0.10 0.68 6.99 0.00 -1.26 -4.66 107.32 108.03 1vlf s GLY 669 Ca 0.11 -0.45 -0.11 0.00 0.00 0.00 0.00 44.72 44.28 1vlf s GLY 669 CO 0.08 0.08 1.06 2.56 0.00 0.00 0.00 173.10 176.88 1vlf s PRO 670 N -3.01 3.11 0.53 2.90 0.04 -1.26 -5.05 135.00 132.26 1vlf s PRO 670 Ca 0.14 0.80 -0.20 0.00 0.04 0.00 0.00 61.00 61.78 1vlf s PRO 670 Cb -0.05 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1vlf s PRO 670 CO 0.08 -0.93 1.15 1.03 0.04 0.00 0.00 177.00 178.37 1vlf s ARG 671 N -5.14 3.40 0.41 4.56 0.52 -1.26 -4.92 118.95 116.52 1vlf s ARG 671 Ca 0.57 1.67 0.15 0.00 -0.52 0.00 0.00 55.73 57.60 1vlf s ARG 671 Cb -0.13 -2.08 1.01 0.00 0.52 0.00 0.00 34.95 34.27 1vlf s ARG 671 CO 0.54 -0.82 1.89 -0.07 0.02 0.00 0.00 175.30 176.85 1vlf h LEU 672 N 1.34 0.46 -0.38 2.53 3.38 -1.98 -0.20 115.31 120.46 1vlf h LEU 672 Ca -0.50 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1vlf h LEU 672 Cb 1.26 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1vlf h LEU 672 CO 0.57 0.22 0.00 -0.46 0.09 0.00 0.00 178.44 178.86 1vlf n ASN 673 N -4.51 0.48 -1.50 -0.43 0.23 -1.26 -2.46 115.26 105.81 1vlf n ASN 673 Ca 0.17 0.60 0.09 0.00 -0.53 0.00 0.00 54.58 54.91 1vlf n ASN 673 Cb 0.57 -0.71 0.34 0.00 -2.08 0.00 0.00 39.78 37.90 1vlf n ASN 673 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1vlf n ASN 674 N -2.01 4.44 -4.15 0.53 5.03 -0.09 -4.93 115.26 114.09 1vlf n ASN 674 Ca 0.03 -2.37 -0.10 0.00 0.87 0.00 0.00 54.58 53.02 1vlf n ASN 674 Cb 0.25 -0.55 -0.10 0.00 -1.02 0.00 0.00 39.78 38.36 1vlf n ASN 674 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1vlf s GLN 675 N -1.75 0.85 -0.25 3.52 -0.21 -1.03 -4.27 119.66 116.52 1vlf s GLN 675 Ca 0.48 -1.38 -0.04 0.00 0.02 0.00 0.00 55.36 54.44 1vlf s GLN 675 Cb 0.30 0.12 0.01 0.00 1.00 0.00 0.00 33.01 34.45 1vlf s GLN 675 CO 0.24 -0.18 -0.02 0.08 -2.12 0.00 0.00 175.29 173.29 1vlf s VAL 676 N -3.92 3.31 -1.46 1.09 1.01 -1.24 -4.52 120.40 114.67 1vlf s VAL 676 Ca 0.18 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1vlf s VAL 676 Cb 0.07 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.86 1vlf s VAL 676 CO -0.02 0.25 0.77 0.00 0.00 0.00 0.00 175.10 176.10 1vlf n ARG 678 N -4.30 -2.32 -4.30 0.00 1.85 -1.26 -4.81 116.66 101.51 1vlf n ARG 678 Ca -0.04 0.29 -0.21 0.00 -1.00 0.00 0.00 57.85 56.89 1vlf n ARG 678 Cb 0.57 -4.75 -0.11 0.00 -1.05 0.00 0.00 32.46 27.12 1vlf n ARG 678 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1vlf s LYS 679 N -7.01 1.19 0.00 2.89 1.02 -0.92 -2.37 119.74 114.54 1vlf s LYS 679 Ca 0.58 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1vlf s LYS 679 Cb -0.32 -1.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.76 1vlf s LYS 679 CO 0.96 0.25 0.00 0.41 -0.92 0.00 0.00 175.35 176.05 1vlf n GLY 680 N 0.44 -1.23 3.92 -3.33 0.00 -1.26 -3.61 105.19 100.13 1vlf n GLY 680 Ca -0.14 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 1vlf n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vlf s LEU 681 N -3.63 2.66 0.40 0.99 1.43 0.59 -4.91 118.68 116.21 1vlf s LEU 681 Ca 0.00 0.43 0.29 0.00 -1.03 0.00 0.00 54.13 53.82 1vlf s LEU 681 Cb 0.00 -2.69 1.18 0.00 0.03 0.00 0.00 46.19 44.71 1vlf s LEU 681 CO 0.00 -2.33 1.85 -0.61 0.23 0.00 0.00 176.35 175.49 1vlf h GLN 682 N -1.32 0.00 -7.25 1.70 4.15 -1.76 -3.36 115.11 107.26 1vlf h GLN 682 Ca -0.45 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.45 1vlf h GLN 682 Cb 1.27 0.00 0.18 0.00 0.21 0.00 0.00 27.48 29.15 1vlf h GLN 682 CO 0.49 0.00 0.28 0.95 -1.93 0.00 0.00 178.83 178.62 1vlf s THR 683 N -3.49 2.24 0.19 2.39 -4.23 -1.26 -4.86 115.64 106.61 1vlf s THR 683 Ca 0.03 0.09 -0.18 0.00 -1.18 0.00 0.00 61.69 60.44 1vlf s THR 683 Cb 0.09 -2.31 0.14 0.00 1.34 0.00 0.00 72.50 71.77 1vlf s THR 683 CO 0.47 -0.09 1.62 0.74 -0.54 0.00 0.00 174.62 176.81 1vlf h THR 684 N -1.39 0.34 0.00 3.99 2.02 -1.90 -0.62 112.91 115.35 1vlf h THR 684 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1vlf h THR 684 Cb 1.27 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1vlf h THR 684 CO 0.45 0.00 0.00 0.71 0.37 0.00 0.00 175.52 177.05 1vlf h THR 685 N -0.11 0.00 0.00 3.16 1.35 -1.91 -3.47 112.91 111.94 1vlf h THR 685 Ca 0.23 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1vlf h THR 685 Cb 0.47 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1vlf h THR 685 CO -0.57 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.31 1vlf n GLY 686 N 0.70 0.76 3.72 5.82 0.00 -0.24 -4.91 105.19 111.03 1vlf n GLY 686 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1vlf n GLY 686 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vlf s LYS 687 N -0.10 2.12 -0.20 1.61 1.02 -1.26 -0.30 119.74 122.62 1vlf s LYS 687 Ca 0.00 -2.13 -0.29 0.00 0.02 0.00 0.00 55.97 53.56 1vlf s LYS 687 Cb 0.00 -1.72 -0.01 0.00 -0.52 0.00 0.00 37.83 35.58 1vlf s LYS 687 CO 0.00 -0.21 1.27 0.08 -0.92 0.00 0.00 175.35 175.57 1vlf s VAL 688 N -2.74 4.26 -0.54 3.17 1.01 -0.09 -4.75 120.40 120.72 1vlf s VAL 688 Ca 0.27 1.50 -0.16 0.00 0.00 0.00 0.00 61.98 63.59 1vlf s VAL 688 Cb 0.05 -4.04 0.13 0.00 0.00 0.00 0.00 36.38 32.51 1vlf s VAL 688 CO 0.15 -0.22 0.50 -1.61 0.00 0.00 0.00 175.10 173.93 1vlf s GLU 689 N 3.65 2.99 0.49 2.72 2.02 0.42 -0.06 118.70 130.93 1vlf s GLU 689 Ca 0.55 -1.67 0.24 0.00 0.02 0.00 0.00 54.97 54.11 1vlf s GLU 689 Cb -0.20 -4.29 1.26 0.00 0.10 0.00 0.00 34.13 31.00 1vlf s GLU 689 CO 0.16 -1.32 2.00 0.74 0.02 0.00 0.00 175.26 176.86 1vlf h PHE 690 N 8.90 0.00 -3.66 1.61 -1.00 -1.42 -3.24 116.94 118.13 1vlf h PHE 690 Ca -0.30 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 59.81 1vlf h PHE 690 Cb 1.10 0.00 -0.39 0.00 3.61 0.00 0.00 35.95 40.27 1vlf h PHE 690 CO 0.73 0.17 -0.69 0.42 -1.61 0.00 0.00 178.31 177.33 1vlf s ILE 691 N -4.13 2.49 -0.02 -0.55 1.01 -1.24 -1.58 121.20 117.19 1vlf s ILE 691 Ca -0.02 -2.24 -0.30 0.00 0.00 0.00 0.00 60.65 58.09 1vlf s ILE 691 Cb 0.13 -2.79 -0.06 0.00 0.01 0.00 0.00 42.46 39.75 1vlf s ILE 691 CO 0.61 -0.59 1.70 0.00 0.00 0.00 0.00 174.94 176.67 1vlf s ALA 692 N 0.96 3.62 0.25 9.38 0.00 -0.09 -4.86 121.76 131.02 1vlf s ALA 692 Ca 0.09 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 53.06 1vlf s ALA 692 Cb -0.20 -3.75 0.32 0.00 0.00 0.00 0.00 23.12 19.49 1vlf s ALA 692 CO -0.07 -1.38 1.75 1.79 0.00 0.00 0.00 175.76 177.85 1vlf h THR 693 N 5.47 1.25 -0.17 0.00 1.35 -1.90 -0.85 112.91 118.06 1vlf h THR 693 Ca -0.41 -1.04 -0.01 0.00 -0.55 0.00 0.00 66.41 64.41 1vlf h THR 693 Cb 1.19 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 1vlf h THR 693 CO 0.95 0.36 0.08 0.77 -0.25 0.00 0.00 175.52 177.43 1vlf h SER 694 N 0.74 0.22 0.47 5.36 4.64 -1.91 -1.34 113.55 121.73 1vlf h SER 694 Ca 0.14 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 1vlf h SER 694 Cb 0.48 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1vlf h SER 694 CO 0.02 0.28 -0.48 -0.07 -0.87 0.00 0.00 176.83 175.71 1vlf h LEU 695 N 0.14 0.01 -0.57 5.97 3.38 -1.88 -1.45 115.31 120.90 1vlf h LEU 695 Ca 0.06 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1vlf h LEU 695 Cb 0.12 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1vlf h LEU 695 CO -0.01 0.49 -0.01 0.50 0.09 0.00 0.00 178.44 179.50 1vlf h LYS 696 N 0.01 1.01 -0.26 1.13 3.64 -0.89 0.69 116.57 121.91 1vlf h LYS 696 Ca -0.00 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1vlf h LYS 696 Cb 0.85 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1vlf h LYS 696 CO 0.06 1.01 0.14 -0.91 -2.27 0.00 0.00 179.45 177.48 1vlf h ASN 697 N 0.90 0.32 -0.20 4.20 -0.26 -0.96 -1.23 115.58 118.35 1vlf h ASN 697 Ca 0.16 -0.09 0.04 0.00 -0.56 0.00 0.00 56.30 55.84 1vlf h ASN 697 Cb 0.56 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.70 1vlf h ASN 697 CO 0.03 0.32 -0.02 0.15 -1.06 0.00 0.00 177.43 176.85 1vlf h PHE 698 N 0.30 -0.05 -0.10 1.19 3.57 -0.86 -0.77 116.94 120.21 1vlf h PHE 698 Ca 0.09 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 1vlf h PHE 698 Cb 0.08 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1vlf h PHE 698 CO -0.03 -0.06 -0.37 1.05 -2.23 0.00 0.00 178.31 176.68 1vlf h GLU 699 N 0.04 0.21 0.00 1.11 4.11 -0.76 -2.31 114.58 116.97 1vlf h GLU 699 Ca 0.10 -0.09 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 1vlf h GLU 699 Cb 0.13 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1vlf h GLU 699 CO -0.18 0.55 -0.01 0.93 0.07 0.00 0.00 179.01 180.36 1vlf h GLU 700 N 0.18 0.00 -0.04 1.06 5.08 -0.71 -1.83 114.58 118.32 1vlf h GLU 700 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1vlf h GLU 700 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1vlf h GLU 700 CO 0.06 0.01 0.00 1.04 -1.00 0.00 0.00 179.01 179.12 1vlf n GLN 701 N -3.11 1.21 0.00 2.33 6.02 -0.34 -4.87 117.38 118.61 1vlf n GLN 701 Ca 0.02 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 1vlf n GLN 701 Cb 0.39 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1vlf n GLN 701 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vlf n GLY 702 N 0.92 0.47 3.17 1.08 0.00 -0.69 -5.02 105.19 105.12 1vlf n GLY 702 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1vlf n GLY 702 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vlf n TYR 703 N -1.91 3.95 -2.41 1.61 4.02 -0.95 -4.99 117.16 116.49 1vlf n TYR 703 Ca 0.00 -3.08 -0.42 0.00 -0.01 0.00 0.00 57.90 54.39 1vlf n TYR 703 Cb 0.00 -2.06 -0.03 0.00 -0.02 0.00 0.00 39.34 37.23 1vlf n TYR 703 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1vlf s ILE 704 N 0.93 4.01 -0.29 -0.72 -1.09 -1.26 -4.16 121.20 118.62 1vlf s ILE 704 Ca 0.41 1.43 -0.03 0.00 -2.23 0.00 0.00 60.65 60.23 1vlf s ILE 704 Cb 0.03 -3.92 0.11 0.00 -1.58 0.00 0.00 42.46 37.11 1vlf s ILE 704 CO 0.00 0.10 0.19 -0.62 -1.23 0.00 0.00 174.94 173.38 1vlf s ASP 705 N 1.13 2.89 0.35 3.58 -1.08 -1.26 -5.00 116.67 117.27 1vlf s ASP 705 Ca 0.59 -1.10 0.08 0.00 -0.52 0.00 0.00 52.55 51.59 1vlf s ASP 705 Cb -0.29 -0.05 0.78 0.00 -1.46 0.00 0.00 42.92 41.89 1vlf s ASP 705 CO 0.28 -0.42 1.87 -0.08 0.52 0.00 0.00 175.17 177.34 1vlf h GLU 706 N 8.36 0.71 -0.67 4.34 4.81 -2.02 -2.21 114.58 127.91 1vlf h GLU 706 Ca -0.18 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1vlf h GLU 706 Cb 1.03 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1vlf h GLU 706 CO 0.40 0.47 0.00 0.72 -0.73 0.00 0.00 179.01 179.88 1vlf n HIS 707 N -4.56 0.90 -2.84 0.92 8.25 -1.26 -4.20 115.22 112.42 1vlf n HIS 707 Ca 0.17 -0.33 -0.11 0.00 -0.26 0.00 0.00 57.72 57.19 1vlf n HIS 707 Cb 0.44 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.36 1vlf n HIS 707 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1vlf n ARG 708 N 0.40 0.82 -2.04 -0.41 0.63 -0.83 -4.78 116.66 110.44 1vlf n ARG 708 Ca 0.14 -2.10 -0.34 0.00 -0.92 0.00 0.00 57.85 54.63 1vlf n ARG 708 Cb 0.61 -1.36 0.02 0.00 0.45 0.00 0.00 32.46 32.18 1vlf n ARG 708 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1vlf s PRO 709 N 0.15 3.16 0.36 -0.14 0.04 -1.24 -4.75 135.00 132.58 1vlf s PRO 709 Ca 0.31 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1vlf s PRO 709 Cb 0.24 -2.00 0.67 0.00 0.04 0.00 0.00 34.50 33.45 1vlf s PRO 709 CO -0.18 -0.97 1.95 0.66 0.04 0.00 0.00 177.00 178.49 1vlf h SER 710 N 0.62 0.55 -2.96 6.66 4.64 -1.90 -3.41 113.55 117.74 1vlf h SER 710 Ca -0.48 -0.06 -0.62 0.00 -0.47 0.00 0.00 61.79 60.16 1vlf h SER 710 Cb 1.24 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 63.13 1vlf h SER 710 CO 0.56 0.51 -0.28 -0.32 -0.87 0.00 0.00 176.83 176.43 1vlf s MET 711 N -5.26 3.85 -0.23 4.77 -2.45 -1.26 -0.92 119.30 117.80 1vlf s MET 711 Ca -0.08 0.25 -0.29 0.00 -1.25 0.00 0.00 55.69 54.32 1vlf s MET 711 Cb 0.16 -3.24 -0.03 0.00 1.25 0.00 0.00 34.83 32.97 1vlf s MET 711 CO 0.76 0.65 1.78 -1.58 1.05 0.00 0.00 175.02 177.67 1vlf s HIS 712 N -0.84 1.83 0.31 4.11 2.46 -0.61 -4.95 115.29 117.59 1vlf s HIS 712 Ca 0.21 0.48 0.05 0.00 0.47 0.00 0.00 55.06 56.27 1vlf s HIS 712 Cb -0.15 -4.05 -0.03 0.00 -0.13 0.00 0.00 32.58 28.22 1vlf s HIS 712 CO 0.10 -3.30 0.22 0.95 -2.47 0.00 0.00 174.74 170.23 1vlf s THR 713 N 6.06 0.12 -1.03 0.89 -4.23 -1.26 -5.02 115.64 111.16 1vlf s THR 713 Ca 0.79 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 59.11 1vlf s THR 713 Cb -0.27 -2.49 0.11 0.00 1.34 0.00 0.00 72.50 71.20 1vlf s THR 713 CO 0.32 0.00 1.32 -0.47 -0.54 0.00 0.00 174.62 175.25 1vlf s TYR 714 N -3.58 2.97 -0.30 3.99 5.04 -1.26 -4.92 117.35 119.29 1vlf s TYR 714 Ca 0.38 -1.35 -0.22 0.00 -2.44 0.00 0.00 57.07 53.44 1vlf s TYR 714 Cb 0.04 -4.45 -0.00 0.00 0.35 0.00 0.00 41.96 37.89 1vlf s TYR 714 CO 0.22 -1.64 0.71 0.08 -1.34 0.00 0.00 175.55 173.58 1vlf s VAL 715 N 3.34 4.87 0.29 3.14 1.01 -1.26 -5.01 120.40 126.78 1vlf s VAL 715 Ca 0.40 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 1vlf s VAL 715 Cb -0.02 -4.07 -0.12 0.00 0.00 0.00 0.00 36.38 32.17 1vlf s VAL 715 CO -0.07 -0.19 1.55 -2.65 0.00 0.00 0.00 175.10 173.75 1vlf n PRO 716 N 6.04 2.56 -1.84 2.72 -0.02 -1.26 -4.88 135.00 138.31 1vlf n PRO 716 Ca 0.01 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 1vlf n PRO 716 Cb 0.48 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 1vlf n PRO 716 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vlf s ALA 717 N -0.06 3.76 -1.06 3.55 0.00 -1.26 -4.86 121.76 121.84 1vlf s ALA 717 Ca 0.64 1.36 0.08 0.00 0.00 0.00 0.00 51.96 54.04 1vlf s ALA 717 Cb -0.53 -3.70 0.33 0.00 0.00 0.00 0.00 23.12 19.22 1vlf s ALA 717 CO 0.49 -1.04 1.22 -2.67 0.00 0.00 0.00 175.76 173.76 1vlf n TRP 718 N 5.05 0.00 -3.29 0.00 4.27 -1.26 -3.10 117.44 119.10 1vlf n TRP 718 Ca 0.16 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.52 1vlf n TRP 718 Cb 0.39 -0.47 -0.08 0.00 -1.36 0.00 0.00 31.31 29.79 1vlf n TRP 718 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 1vlf n GLU 719 N -1.47 1.46 -4.31 -2.67 4.07 -1.26 -4.56 120.64 111.90 1vlf n GLU 719 Ca 0.02 -3.83 -0.16 0.00 -0.06 0.00 0.00 57.16 53.13 1vlf n GLU 719 Cb 0.08 -1.66 -0.10 0.00 -0.06 0.00 0.00 31.44 29.71 1vlf n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1vlf s SER 720 N -1.70 2.01 0.39 4.31 1.04 -1.18 -4.45 113.70 114.12 1vlf s SER 720 Ca 0.37 -1.10 0.13 0.00 0.48 0.00 0.00 55.95 55.83 1vlf s SER 720 Cb 0.16 -0.04 0.79 0.00 0.10 0.00 0.00 66.02 67.03 1vlf s SER 720 CO -0.07 -0.37 1.87 1.56 0.98 0.00 0.00 173.24 177.21 1vlf h GLN 721 N 2.60 0.03 -0.01 4.02 4.20 -1.91 -2.45 115.11 121.58 1vlf h GLN 721 Ca -0.38 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1vlf h GLN 721 Cb 1.21 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1vlf h GLN 721 CO 0.64 0.33 -0.44 0.36 -0.67 0.00 0.00 178.83 179.05 1vlf n LYS 722 N -4.17 1.65 -0.00 1.46 2.85 -1.26 -4.59 118.16 114.10 1vlf n LYS 722 Ca -0.02 -0.66 0.01 0.00 -1.05 0.00 0.00 58.31 56.60 1vlf n LYS 722 Cb 0.36 -1.29 -0.02 0.00 -0.65 0.00 0.00 35.03 33.43 1vlf n LYS 722 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1vlf n HIS 723 N -0.38 0.00 -3.29 5.58 8.25 -1.23 -5.03 115.22 119.12 1vlf n HIS 723 Ca 0.06 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.14 1vlf n HIS 723 Cb 0.33 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.35 1vlf n HIS 723 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1vlf s SER 724 N -1.88 6.84 0.56 0.41 0.15 -0.92 -4.93 113.70 113.92 1vlf s SER 724 Ca -0.00 1.00 0.28 0.00 0.70 0.00 0.00 55.95 57.93 1vlf s SER 724 Cb 0.01 -2.32 1.68 0.00 -1.71 0.00 0.00 66.02 63.69 1vlf s SER 724 CO 0.09 0.10 2.19 -0.65 1.20 0.00 0.00 173.24 176.17 1vlf h PRO 725 N 5.92 0.00 0.00 5.44 0.11 -1.88 -1.87 132.00 139.72 1vlf h PRO 725 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1vlf h PRO 725 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1vlf h PRO 725 CO 0.71 0.04 -0.12 1.25 -0.21 0.00 0.00 178.00 179.67 1vlf h LEU 726 N 0.00 0.00 -2.70 2.35 5.85 -1.92 -3.26 115.31 115.63 1vlf h LEU 726 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1vlf h LEU 726 Cb 0.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1vlf h LEU 726 CO 0.01 0.12 -0.01 0.00 -0.34 0.00 0.00 178.44 178.22 1vlf h ALA 727 N 1.88 1.17 0.00 1.25 0.00 -1.51 -1.04 119.26 121.02 1vlf h ALA 727 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1vlf h ALA 727 Cb 0.65 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1vlf h ALA 727 CO 0.02 0.01 -0.57 -0.39 0.00 0.00 0.00 179.25 178.32 1vlf h VAL 728 N 0.00 1.23 0.03 0.00 -1.51 -1.77 -2.96 116.25 111.27 1vlf h VAL 728 Ca -0.00 -2.07 -0.36 0.00 -1.23 0.00 0.00 66.70 63.04 1vlf h VAL 728 Cb 0.05 2.17 -0.05 0.00 -2.13 0.00 0.00 31.29 31.33 1vlf h VAL 728 CO 0.00 0.55 -2.20 0.29 -1.23 0.00 0.00 177.57 174.98 1vlf n LYS 729 N -3.60 0.68 -3.85 5.19 5.02 -0.94 -4.71 118.16 115.95 1vlf n LYS 729 Ca -0.00 0.16 -0.29 0.00 -2.02 0.00 0.00 58.31 56.16 1vlf n LYS 729 Cb 0.63 -1.61 -0.13 0.00 -0.02 0.00 0.00 35.03 33.89 1vlf n LYS 729 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1vlf s TYR 730 N -2.54 2.95 0.12 2.13 2.02 -0.44 -4.81 117.35 116.79 1vlf s TYR 730 Ca -0.20 -3.04 0.28 0.00 -0.37 0.00 0.00 57.07 53.74 1vlf s TYR 730 Cb 0.07 -2.48 1.09 0.00 -0.40 0.00 0.00 41.96 40.25 1vlf s TYR 730 CO 0.74 -0.69 1.89 -1.00 -1.57 0.00 0.00 175.55 174.93 1vlf h PRO 731 N 6.11 0.00 -6.00 -1.71 0.13 -1.54 -3.36 132.00 125.63 1vlf h PRO 731 Ca 0.03 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.60 1vlf h PRO 731 Cb 0.85 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.93 1vlf h PRO 731 CO 0.64 0.13 0.07 -0.51 -0.23 0.00 0.00 178.00 178.10 1vlf s LEU 732 N -6.58 4.31 -0.20 1.56 1.43 -0.64 -4.92 118.68 113.64 1vlf s LEU 732 Ca 0.01 1.15 -0.18 0.00 -1.03 0.00 0.00 54.13 54.08 1vlf s LEU 732 Cb 0.10 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 1vlf s LEU 732 CO 0.60 -0.11 0.51 -0.83 0.23 0.00 0.00 176.35 176.75 1vlf s GLY 733 N 0.79 2.05 -0.07 -3.19 0.00 -0.48 -0.50 107.32 105.93 1vlf s GLY 733 Ca 0.36 -0.43 0.02 0.00 0.00 0.00 0.00 44.72 44.68 1vlf s GLY 733 CO 0.17 1.08 -0.13 -0.29 0.00 0.00 0.00 173.10 173.93 1vlf s MET 734 N 1.67 2.71 0.01 2.90 1.75 0.14 -0.76 119.30 127.73 1vlf s MET 734 Ca 0.23 -0.67 0.09 0.00 -1.25 0.00 0.00 55.69 54.09 1vlf s MET 734 Cb -0.15 -2.46 -0.02 0.00 2.84 0.00 0.00 34.83 35.03 1vlf s MET 734 CO 0.09 0.55 -0.26 -0.48 -0.65 0.00 0.00 175.02 174.28 1vlf s LEU 735 N -0.54 2.11 -0.46 4.11 2.34 -1.02 -2.27 118.68 122.94 1vlf s LEU 735 Ca 0.07 -0.53 0.06 0.00 0.06 0.00 0.00 54.13 53.79 1vlf s LEU 735 Cb -0.12 -1.29 0.20 0.00 -0.56 0.00 0.00 46.19 44.43 1vlf s LEU 735 CO 0.02 0.28 0.46 -1.54 -1.06 0.00 0.00 176.35 174.51 1vlf n SER 736 N 2.10 0.59 -2.98 1.48 3.41 -1.26 -2.71 113.62 114.25 1vlf n SER 736 Ca -0.16 -2.69 -0.13 0.00 -0.26 0.00 0.00 58.87 55.63 1vlf n SER 736 Cb 0.52 -0.62 0.11 0.00 -0.26 0.00 0.00 64.21 63.96 1vlf n SER 736 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1vlf n PRO 737 N 2.06 -2.19 -2.41 4.33 -0.02 -1.26 -3.61 135.00 131.90 1vlf n PRO 737 Ca 0.26 -0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 60.63 1vlf n PRO 737 Cb 0.47 -0.70 -0.04 0.00 -0.02 0.00 0.00 33.50 33.21 1vlf n PRO 737 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1vlf s HIS 738 N -1.75 3.47 0.13 6.00 3.76 -1.26 -1.00 115.29 124.64 1vlf s HIS 738 Ca 0.29 1.53 -0.34 0.00 -0.15 0.00 0.00 55.06 56.39 1vlf s HIS 738 Cb -0.03 -3.38 -0.14 0.00 1.11 0.00 0.00 32.58 30.13 1vlf s HIS 738 CO 0.23 -0.97 1.58 -0.35 -0.85 0.00 0.00 174.74 174.38 1vlf n PRO 739 N 1.98 2.03 -0.19 8.40 -0.04 -1.26 -4.86 135.00 141.06 1vlf n PRO 739 Ca 0.02 0.73 -0.08 0.00 -0.04 0.00 0.00 63.50 64.14 1vlf n PRO 739 Cb 0.45 -2.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.43 1vlf n PRO 739 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1vlf h ARG 740 N 6.09 0.82 -0.64 0.54 9.65 -1.93 -3.26 114.38 125.64 1vlf h ARG 740 Ca -0.46 -0.14 -0.33 0.00 -1.10 0.00 0.00 59.98 57.95 1vlf h ARG 740 Cb 1.26 -0.14 -0.20 0.00 -1.39 0.00 0.00 29.97 29.51 1vlf h ARG 740 CO 0.88 0.70 0.25 1.19 2.80 0.00 0.00 179.97 185.79 1vlf n PHE 741 N -4.52 1.99 -3.52 2.20 3.01 -1.26 -4.85 117.46 110.50 1vlf n PHE 741 Ca 0.03 -1.72 -0.17 0.00 1.01 0.00 0.00 57.45 56.60 1vlf n PHE 741 Cb 0.15 -0.70 -0.06 0.00 -0.01 0.00 0.00 39.48 38.86 1vlf n PHE 741 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1vlf s SER 742 N -1.99 -0.62 -0.90 4.37 0.15 -1.23 -4.28 113.70 109.21 1vlf s SER 742 Ca 0.50 0.64 -0.17 0.00 0.70 0.00 0.00 55.95 57.63 1vlf s SER 742 Cb 0.44 0.52 0.17 0.00 -1.71 0.00 0.00 66.02 65.43 1vlf s SER 742 CO 0.05 -0.60 0.99 -0.32 1.20 0.00 0.00 173.24 174.56 1vlf s MET 743 N -1.32 3.62 5.64 5.44 1.75 -1.07 -4.50 119.30 128.86 1vlf s MET 743 Ca -0.09 -2.07 0.00 0.00 -1.25 0.00 0.00 55.69 52.28 1vlf s MET 743 Cb -0.00 -4.72 0.00 0.00 2.84 0.00 0.00 34.83 32.95 1vlf s MET 743 CO 0.08 -1.57 0.00 0.72 -0.65 0.00 0.00 175.02 173.59 1vlf n HIS 744 N 5.46 0.00 0.60 4.11 8.25 -1.26 -0.74 115.22 131.64 1vlf n HIS 744 Ca 0.20 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.78 1vlf n HIS 744 Cb 0.48 0.00 0.45 0.00 1.12 0.00 0.00 29.99 32.05 1vlf n HIS 744 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1vlf n THR 745 N 0.00 0.64 -2.63 1.59 -2.24 -1.21 -4.47 114.28 105.96 1vlf n THR 745 Ca 0.00 0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 1vlf n THR 745 Cb 0.00 -0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 67.39 1vlf n THR 745 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1vlf s MET 746 N -3.13 3.99 0.00 -0.78 -1.94 0.08 -3.36 119.30 114.16 1vlf s MET 746 Ca 0.08 -2.05 0.00 0.00 -1.71 0.00 0.00 55.69 52.01 1vlf s MET 746 Cb 0.12 -5.48 0.00 0.00 2.01 0.00 0.00 34.83 31.48 1vlf s MET 746 CO 0.45 -2.20 0.00 0.41 -0.01 0.00 0.00 175.02 173.67 1vlf n GLY 747 N 5.27 1.84 3.82 -0.03 0.00 -1.26 -2.59 105.19 112.24 1vlf n GLY 747 Ca 0.47 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 1vlf n GLY 747 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vlf s ASP 748 N 0.00 5.99 0.96 1.61 2.15 -1.21 -4.65 116.67 121.51 1vlf s ASP 748 Ca 0.00 1.71 0.00 0.00 0.43 0.00 0.00 52.55 54.69 1vlf s ASP 748 Cb 0.00 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1vlf s ASP 748 CO 0.00 -1.02 0.00 0.61 -0.17 0.00 0.00 175.17 174.59 1vlf n GLY 749 N -1.33 0.97 2.72 2.66 0.00 -1.26 -4.72 105.19 104.24 1vlf n GLY 749 Ca 0.08 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.40 1vlf n GLY 749 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vlf n LYS 750 N 0.00 -1.80 -2.75 1.61 5.02 -1.26 -1.44 118.16 117.53 1vlf n LYS 750 Ca 0.00 0.65 -0.22 0.00 -2.02 0.00 0.00 58.31 56.73 1vlf n LYS 750 Cb 0.00 -4.94 0.02 0.00 -0.02 0.00 0.00 35.03 30.09 1vlf n LYS 750 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1vlf n ASN 751 N -0.70 -6.01 -4.82 4.39 5.15 -1.26 -4.33 115.26 107.67 1vlf n ASN 751 Ca -0.06 -0.17 -0.29 0.00 -0.60 0.00 0.00 54.58 53.46 1vlf n ASN 751 Cb 0.49 -4.92 0.11 0.00 -0.53 0.00 0.00 39.78 34.93 1vlf n ASN 751 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1vlf s SER 752 N -2.41 4.04 0.46 1.20 1.04 -0.52 -4.94 113.70 112.56 1vlf s SER 752 Ca 0.17 0.83 0.25 0.00 0.48 0.00 0.00 55.95 57.68 1vlf s SER 752 Cb -0.08 -1.33 1.02 0.00 0.10 0.00 0.00 66.02 65.73 1vlf s SER 752 CO 0.21 -2.21 1.87 1.88 0.98 0.00 0.00 173.24 175.97 1vlf h TYR 753 N -1.26 0.00 0.00 5.02 0.05 -1.88 -2.99 116.97 115.91 1vlf h TYR 753 Ca -0.48 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.29 1vlf h TYR 753 Cb 1.33 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.07 1vlf h TYR 753 CO 0.22 0.19 -0.06 0.52 -1.05 0.00 0.00 178.16 177.98 1vlf h MET 754 N 0.00 0.00 0.00 4.88 2.86 -1.88 -1.87 114.93 118.92 1vlf h MET 754 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1vlf h MET 754 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1vlf h MET 754 CO 0.02 0.06 0.00 0.09 1.06 0.00 0.00 176.91 178.14 1vlf n ASN 755 N -3.51 0.39 -0.68 1.22 3.02 -1.13 -1.70 115.26 112.87 1vlf n ASN 755 Ca -0.02 0.60 0.13 0.00 -0.03 0.00 0.00 54.58 55.26 1vlf n ASN 755 Cb 0.17 -0.68 0.32 0.00 -0.61 0.00 0.00 39.78 38.98 1vlf n ASN 755 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1vlf n TYR 756 N -1.94 0.00 -2.33 3.10 4.02 -0.70 -4.47 117.16 114.84 1vlf n TYR 756 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1vlf n TYR 756 Cb 0.18 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 1vlf n TYR 756 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1vlf s ILE 757 N -2.04 3.91 0.23 -0.72 1.01 -0.69 -4.93 121.20 117.97 1vlf s ILE 757 Ca 0.32 1.31 -0.09 0.00 0.00 0.00 0.00 60.65 62.19 1vlf s ILE 757 Cb 0.20 -3.84 0.27 0.00 0.01 0.00 0.00 42.46 39.11 1vlf s ILE 757 CO 0.34 0.03 1.63 0.11 0.00 0.00 0.00 174.94 177.05 1vlf h LYS 758 N 7.37 0.06 -0.77 2.79 1.57 -1.89 -1.59 116.57 124.10 1vlf h LYS 758 Ca -0.38 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 1vlf h LYS 758 Cb 1.19 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1vlf h LYS 758 CO 0.87 0.04 0.04 -3.47 -0.57 0.00 0.00 179.45 176.36 1vlf n ASP 759 N -5.39 3.82 -0.03 0.86 2.03 -1.26 -4.24 116.55 112.35 1vlf n ASP 759 Ca 0.12 -2.60 -0.07 0.00 0.52 0.00 0.00 54.79 52.75 1vlf n ASP 759 Cb 0.42 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 40.18 1vlf n ASP 759 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1vlf n HIS 760 N 0.29 0.00 -4.03 -0.67 -0.00 -0.61 -4.98 115.22 105.22 1vlf n HIS 760 Ca 0.19 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.29 1vlf n HIS 760 Cb 0.86 -0.30 -0.11 0.00 -0.12 0.00 0.00 29.99 30.33 1vlf n HIS 760 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1vlf s ARG 761 N -2.42 0.46 -0.13 1.57 0.52 -1.17 -3.94 118.95 113.83 1vlf s ARG 761 Ca -0.16 -0.90 0.02 0.00 -0.52 0.00 0.00 55.73 54.17 1vlf s ARG 761 Cb 0.03 0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.65 1vlf s ARG 761 CO 0.22 -0.07 -0.20 0.08 0.02 0.00 0.00 175.30 175.35 1vlf s VAL 762 N -2.61 1.87 -0.02 3.52 1.01 -0.10 -4.63 120.40 119.44 1vlf s VAL 762 Ca -0.05 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 60.78 1vlf s VAL 762 Cb -0.02 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1vlf s VAL 762 CO -0.05 0.51 0.91 -0.70 0.00 0.00 0.00 175.10 175.77 1vlf s GLU 763 N 0.92 4.52 -0.10 2.72 2.12 -1.26 -0.01 118.70 127.62 1vlf s GLU 763 Ca -0.06 1.28 -0.03 0.00 0.36 0.00 0.00 54.97 56.52 1vlf s GLU 763 Cb -0.15 -3.46 0.05 0.00 0.26 0.00 0.00 34.13 30.82 1vlf s GLU 763 CO -0.03 -0.04 0.10 0.08 -0.54 0.00 0.00 175.26 174.83 1vlf s VAL 764 N 1.01 -0.14 -1.45 3.70 1.01 0.12 -4.85 120.40 119.80 1vlf s VAL 764 Ca 0.48 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.60 1vlf s VAL 764 Cb -0.20 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1vlf s VAL 764 CO 0.25 -0.00 0.64 0.47 0.00 0.00 0.00 175.10 176.45 1vlf n ASP 765 N 5.30 -5.92 0.00 3.32 8.00 -1.26 -2.40 116.55 123.59 1vlf n ASP 765 Ca -0.05 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1vlf n ASP 765 Cb 0.50 -4.72 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 1vlf n ASP 765 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vlf n GLY 766 N -1.54 0.64 3.10 0.44 0.00 -1.26 -5.04 105.19 101.53 1vlf n GLY 766 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1vlf n GLY 766 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vlf s TYR 767 N -2.26 1.51 -0.45 1.61 5.04 -1.01 -5.11 117.35 116.67 1vlf s TYR 767 Ca 0.00 -0.41 -0.18 0.00 -2.44 0.00 0.00 57.07 54.04 1vlf s TYR 767 Cb 0.00 -1.02 0.04 0.00 0.35 0.00 0.00 41.96 41.33 1vlf s TYR 767 CO 0.00 -0.14 0.53 0.15 -1.34 0.00 0.00 175.55 174.76 1vlf s LYS 768 N 0.04 3.13 0.22 4.97 1.02 -1.26 0.10 119.74 127.96 1vlf s LYS 768 Ca -0.03 -0.75 -0.12 0.00 0.02 0.00 0.00 55.97 55.10 1vlf s LYS 768 Cb -0.10 -4.01 -0.07 0.00 -0.52 0.00 0.00 37.83 33.12 1vlf s LYS 768 CO 0.01 -1.01 0.57 0.71 -0.92 0.00 0.00 175.35 174.72 1vlf s TYR 769 N 2.40 3.47 0.65 3.18 1.51 0.99 -4.75 117.35 124.79 1vlf s TYR 769 Ca 0.15 0.96 -0.16 0.00 -1.01 0.00 0.00 57.07 57.01 1vlf s TYR 769 Cb -0.17 -2.32 -0.01 0.00 -0.11 0.00 0.00 41.96 39.35 1vlf s TYR 769 CO 0.14 0.30 1.13 -0.46 -1.11 0.00 0.00 175.55 175.55 1vlf s TRP 770 N -1.73 2.54 -0.04 2.71 -0.11 -1.26 -0.92 118.94 120.12 1vlf s TRP 770 Ca 0.45 1.56 -0.03 0.00 1.22 0.00 0.00 56.10 59.30 1vlf s TRP 770 Cb -0.12 -3.25 -0.04 0.00 -1.50 0.00 0.00 33.47 28.56 1vlf s TRP 770 CO 0.20 -1.82 0.15 0.42 -4.62 0.00 0.00 176.95 171.27 1vlf s ILE 771 N -2.16 5.26 -0.08 5.86 1.01 -1.25 -0.55 121.20 129.29 1vlf s ILE 771 Ca 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.22 1vlf s ILE 771 Cb -0.23 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1vlf s ILE 771 CO 0.39 0.41 -0.06 -0.32 0.00 0.00 0.00 174.94 175.36 1vlf s MET 772 N -1.65 1.20 -0.08 2.79 -2.45 -0.82 -4.44 119.30 113.85 1vlf s MET 772 Ca 0.23 -0.17 -0.20 0.00 -1.25 0.00 0.00 55.69 54.30 1vlf s MET 772 Cb -0.12 -1.25 -0.04 0.00 1.25 0.00 0.00 34.83 34.67 1vlf s MET 772 CO 0.14 -0.18 0.57 1.03 1.05 0.00 0.00 175.02 177.64 1vlf s ARG 773 N 1.38 4.37 -0.02 4.11 0.52 0.15 -1.00 118.95 128.46 1vlf s ARG 773 Ca -0.02 0.64 0.04 0.00 -0.52 0.00 0.00 55.73 55.86 1vlf s ARG 773 Cb -0.14 -3.43 -0.00 0.00 0.52 0.00 0.00 34.95 31.90 1vlf s ARG 773 CO -0.03 0.16 -0.13 0.08 0.02 0.00 0.00 175.30 175.39 1vlf s VAL 774 N 0.56 1.05 0.31 3.52 1.01 -0.49 -1.81 120.40 124.56 1vlf s VAL 774 Ca 0.31 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1vlf s VAL 774 Cb -0.16 -0.90 -0.10 0.00 0.00 0.00 0.00 36.38 35.21 1vlf s VAL 774 CO 0.14 0.31 1.31 0.21 0.00 0.00 0.00 175.10 177.07 1vlf s ASN 775 N -0.08 6.79 0.30 3.32 3.84 -1.26 -0.67 114.94 127.19 1vlf s ASN 775 Ca 0.01 2.65 0.04 0.00 0.21 0.00 0.00 52.86 55.77 1vlf s ASN 775 Cb -0.08 -2.64 0.77 0.00 -0.55 0.00 0.00 41.25 38.76 1vlf s ASN 775 CO 0.00 -0.53 1.66 0.77 -2.79 0.00 0.00 177.10 176.21 1vlf h SER 776 N 3.67 0.15 -0.65 -4.21 4.64 -1.79 -0.86 113.55 114.49 1vlf h SER 776 Ca -0.48 0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1vlf h SER 776 Cb 1.22 0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 63.50 1vlf h SER 776 CO 0.67 -0.12 0.32 0.40 -0.87 0.00 0.00 176.83 177.23 1vlf h ILE 777 N 0.26 1.22 -0.15 0.95 2.04 -1.90 0.21 117.51 120.14 1vlf h ILE 777 Ca 0.58 -0.60 -0.16 0.00 1.00 0.00 0.00 64.86 65.69 1vlf h ILE 777 Cb 1.19 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1vlf h ILE 777 CO -0.62 0.25 -0.57 0.44 0.00 0.00 0.00 178.15 177.65 1vlf h ASP 778 N 0.89 0.51 -0.14 1.72 3.32 -1.58 -2.35 116.42 118.79 1vlf h ASP 778 Ca 0.22 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1vlf h ASP 778 Cb 0.10 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1vlf h ASP 778 CO -0.03 0.97 -0.02 0.00 -1.72 0.00 0.00 179.24 178.44 1vlf h ALA 779 N 1.04 0.19 -0.08 3.45 0.00 -0.96 -3.03 119.26 119.87 1vlf h ALA 779 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1vlf h ALA 779 Cb 1.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1vlf h ALA 779 CO 0.10 -0.07 0.02 1.49 0.00 0.00 0.00 179.25 180.79 1vlf h GLU 780 N -0.03 0.06 0.00 0.00 4.22 -0.96 0.27 114.58 118.14 1vlf h GLU 780 Ca 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1vlf h GLU 780 Cb 0.43 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1vlf h GLU 780 CO 0.01 0.04 0.21 0.00 -2.18 0.00 0.00 179.01 177.09 1vlf h ALA 781 N 1.05 1.20 -0.13 2.92 0.00 -1.43 0.26 119.26 123.13 1vlf h ALA 781 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1vlf h ALA 781 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1vlf h ALA 781 CO -0.03 -0.20 0.00 0.54 0.00 0.00 0.00 179.25 179.55 1vlf n ARG 782 N -2.80 1.52 -1.54 0.00 1.74 -0.56 -4.98 116.66 110.05 1vlf n ARG 782 Ca -0.02 -1.44 -0.10 0.00 -0.77 0.00 0.00 57.85 55.52 1vlf n ARG 782 Cb 0.26 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 1vlf n ARG 782 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vlf n GLY 783 N 0.34 0.81 3.70 -0.13 0.00 0.08 -4.68 105.19 105.32 1vlf n GLY 783 Ca 0.07 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1vlf n GLY 783 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vlf s ILE 784 N -2.40 5.15 0.17 -0.61 1.01 0.82 -4.99 121.20 120.35 1vlf s ILE 784 Ca 0.00 1.01 0.08 0.00 0.00 0.00 0.00 60.65 61.74 1vlf s ILE 784 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1vlf s ILE 784 CO 0.00 0.28 -0.06 -0.54 0.00 0.00 0.00 174.94 174.62 1vlf s LYS 785 N 0.93 2.21 -0.06 2.79 1.02 -1.26 -4.22 119.74 121.14 1vlf s LYS 785 Ca 0.27 -1.17 -0.37 0.00 0.02 0.00 0.00 55.97 54.72 1vlf s LYS 785 Cb -0.15 -2.26 -0.15 0.00 -0.52 0.00 0.00 37.83 34.75 1vlf s LYS 785 CO 0.11 0.45 1.63 -1.71 -0.92 0.00 0.00 175.35 174.91 1vlf n ASN 786 N 0.06 2.51 0.00 2.83 4.05 -1.26 -1.09 115.26 122.36 1vlf n ASN 786 Ca -0.11 1.07 0.00 0.00 0.45 0.00 0.00 54.58 55.99 1vlf n ASN 786 Cb 0.55 -1.25 0.00 0.00 1.23 0.00 0.00 39.78 40.31 1vlf n ASN 786 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vlf n GLY 787 N 3.63 0.86 3.77 8.20 0.00 0.39 -5.01 105.19 117.05 1vlf n GLY 787 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1vlf n GLY 787 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vlf s ASP 788 N -2.20 5.81 -0.12 1.61 1.01 -0.25 -4.58 116.67 117.95 1vlf s ASP 788 Ca 0.00 2.19 -0.25 0.00 0.71 0.00 0.00 52.55 55.20 1vlf s ASP 788 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1vlf s ASP 788 CO 0.00 -1.16 0.81 -0.76 0.21 0.00 0.00 175.17 174.28 1vlf s LEU 789 N -3.66 4.23 0.36 1.23 1.43 -1.26 -0.42 118.68 120.59 1vlf s LEU 789 Ca 0.71 1.23 0.09 0.00 -1.03 0.00 0.00 54.13 55.13 1vlf s LEU 789 Cb -0.25 -3.23 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 1vlf s LEU 789 CO 0.28 -0.31 -0.06 0.27 0.23 0.00 0.00 176.35 176.76 1vlf s ILE 790 N 1.67 2.13 -0.20 -0.59 -4.36 0.11 -1.61 121.20 118.35 1vlf s ILE 790 Ca 0.40 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.65 1vlf s ILE 790 Cb -0.17 -2.73 0.03 0.00 1.25 0.00 0.00 42.46 40.84 1vlf s ILE 790 CO 0.16 -0.15 -0.17 -0.60 0.24 0.00 0.00 174.94 174.41 1vlf s ARG 791 N -3.65 2.83 -0.15 0.37 3.52 0.20 -1.11 118.95 120.97 1vlf s ARG 791 Ca 0.33 -0.94 -0.07 0.00 -0.13 0.00 0.00 55.73 54.91 1vlf s ARG 791 Cb 0.05 -2.67 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 1vlf s ARG 791 CO 0.17 -0.29 0.10 0.00 -0.81 0.00 0.00 175.30 174.47 1vlf s ALA 792 N 1.26 3.65 0.25 6.12 0.00 -0.50 -1.79 121.76 130.75 1vlf s ALA 792 Ca 0.02 -0.70 -0.20 0.00 0.00 0.00 0.00 51.96 51.09 1vlf s ALA 792 Cb -0.15 -1.96 0.02 0.00 0.00 0.00 0.00 23.12 21.03 1vlf s ALA 792 CO -0.11 0.38 0.65 1.52 0.00 0.00 0.00 175.76 178.21 1vlf s TYR 793 N -0.29 -0.15 0.00 0.00 -0.85 -0.12 -0.99 117.35 114.96 1vlf s TYR 793 Ca 0.10 -0.26 0.00 0.00 -0.52 0.00 0.00 57.07 56.39 1vlf s TYR 793 Cb -0.12 0.58 0.00 0.00 0.38 0.00 0.00 41.96 42.81 1vlf s TYR 793 CO 0.01 -1.12 0.00 0.27 -1.52 0.00 0.00 175.55 173.19 1vlf n ASN 794 N -0.43 0.00 0.27 -0.18 0.23 -1.02 -1.51 115.26 112.63 1vlf n ASN 794 Ca -0.06 -0.51 0.10 0.00 -0.53 0.00 0.00 54.58 53.59 1vlf n ASN 794 Cb 0.60 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 39.02 1vlf n ASN 794 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1vlf h ASP 795 N 0.00 0.00 1.28 0.53 3.32 -1.95 -3.03 116.42 116.57 1vlf h ASP 795 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1vlf h ASP 795 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1vlf h ASP 795 CO 0.00 0.03 -0.38 0.03 -1.72 0.00 0.00 179.24 177.20 1vlf h ARG 796 N 0.00 0.00 0.00 3.56 3.08 -1.90 -3.50 114.38 115.63 1vlf h ARG 796 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vlf h ARG 796 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1vlf h ARG 796 CO 0.00 0.38 0.00 0.41 -1.07 0.00 0.00 179.97 179.69 1vlf n GLY 797 N 0.79 -1.56 3.08 0.04 0.00 -1.15 -4.79 105.19 101.60 1vlf n GLY 797 Ca 0.01 -1.20 -0.18 0.00 0.00 0.00 0.00 46.02 44.66 1vlf n GLY 797 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vlf s SER 798 N -3.46 1.24 -0.04 1.61 0.01 -1.26 -2.44 113.70 109.37 1vlf s SER 798 Ca 0.00 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.90 1vlf s SER 798 Cb 0.00 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.18 1vlf s SER 798 CO 0.00 0.01 -0.02 -0.69 0.41 0.00 0.00 173.24 172.94 1vlf s VAL 799 N -0.73 0.37 -0.15 3.43 1.01 -0.16 -2.10 120.40 122.07 1vlf s VAL 799 Ca -0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 1vlf s VAL 799 Cb -0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1vlf s VAL 799 CO 0.01 0.19 0.53 -0.63 0.00 0.00 0.00 175.10 175.19 1vlf s ILE 800 N 0.97 5.13 0.17 2.22 1.09 0.33 -1.41 121.20 129.70 1vlf s ILE 800 Ca -0.10 1.02 0.00 0.00 -1.10 0.00 0.00 60.65 60.47 1vlf s ILE 800 Cb -0.14 -3.86 -0.04 0.00 -1.06 0.00 0.00 42.46 37.36 1vlf s ILE 800 CO -0.01 0.25 0.05 -0.76 -0.10 0.00 0.00 174.94 174.37 1vlf s LEU 801 N 1.09 1.82 -0.20 2.97 1.43 -0.27 -4.52 118.68 121.00 1vlf s LEU 801 Ca 0.27 -1.23 -0.14 0.00 -1.03 0.00 0.00 54.13 51.99 1vlf s LEU 801 Cb -0.15 0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.18 1vlf s LEU 801 CO 0.11 -0.69 0.30 0.00 0.23 0.00 0.00 176.35 176.31 1vlf s ALA 802 N -3.90 3.58 0.15 4.21 0.00 0.29 0.06 121.76 126.15 1vlf s ALA 802 Ca 0.27 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 1vlf s ALA 802 Cb 0.07 -2.48 -0.07 0.00 0.00 0.00 0.00 23.12 20.64 1vlf s ALA 802 CO 0.05 -0.15 0.99 0.00 0.00 0.00 0.00 175.76 176.65 1vlf s ALA 803 N 0.98 3.29 -0.33 0.00 0.00 0.44 -1.94 121.76 124.20 1vlf s ALA 803 Ca 0.15 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1vlf s ALA 803 Cb -0.14 -3.28 0.10 0.00 0.00 0.00 0.00 23.12 19.80 1vlf s ALA 803 CO 0.06 -0.02 0.05 -1.14 0.00 0.00 0.00 175.76 174.71 1vlf s GLN 804 N -0.31 1.32 0.13 0.00 0.74 -0.17 -0.46 119.66 120.90 1vlf s GLN 804 Ca 0.46 -1.63 -0.31 0.00 0.05 0.00 0.00 55.36 53.94 1vlf s GLN 804 Cb -0.25 -2.87 -0.07 0.00 1.10 0.00 0.00 33.01 30.91 1vlf s GLN 804 CO 0.31 -0.93 1.27 0.08 -0.55 0.00 0.00 175.29 175.48 1vlf s VAL 805 N 1.10 3.57 0.28 1.34 1.01 -1.26 -1.39 120.40 125.05 1vlf s VAL 805 Ca 0.09 1.19 -0.08 0.00 0.00 0.00 0.00 61.98 63.19 1vlf s VAL 805 Cb -0.19 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1vlf s VAL 805 CO -0.12 0.13 0.43 0.28 0.00 0.00 0.00 175.10 175.82 1vlf s THR 806 N 0.66 0.00 -1.36 3.92 -1.32 0.16 -4.90 115.64 112.80 1vlf s THR 806 Ca 0.59 -1.55 0.11 0.00 -1.21 0.00 0.00 61.69 59.62 1vlf s THR 806 Cb -0.34 -2.41 0.11 0.00 -1.51 0.00 0.00 72.50 68.35 1vlf s THR 806 CO 0.33 0.00 0.89 -0.62 -2.21 0.00 0.00 174.62 173.00 1vlf n GLU 807 N -0.43 0.73 0.00 7.08 -0.58 -1.26 -2.17 120.64 124.02 1vlf n GLU 807 Ca -0.00 -1.24 0.00 0.00 -0.42 0.00 0.00 57.16 55.50 1vlf n GLU 807 Cb 0.62 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 1vlf n GLU 807 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vlf s LEU 809 N 0.00 0.65 0.32 0.00 1.43 -1.26 -1.40 118.68 118.41 1vlf s LEU 809 Ca 0.00 0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 53.38 1vlf s LEU 809 Cb 0.00 1.28 -0.10 0.00 0.03 0.00 0.00 46.19 47.40 1vlf s LEU 809 CO 0.00 -0.22 1.29 -1.58 0.23 0.00 0.00 176.35 176.07 1vlf s GLN 810 N -0.22 4.39 0.21 1.70 0.74 -1.26 -4.74 119.66 120.48 1vlf s GLN 810 Ca -0.04 2.16 -0.32 0.00 0.05 0.00 0.00 55.36 57.21 1vlf s GLN 810 Cb -0.03 -3.09 -0.15 0.00 1.10 0.00 0.00 33.01 30.84 1vlf s GLN 810 CO 0.02 -0.15 1.26 -2.30 -0.55 0.00 0.00 175.29 173.57 1vlf n PRO 811 N 1.00 1.54 0.00 1.67 -0.02 -1.26 -1.31 135.00 136.62 1vlf n PRO 811 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1vlf n PRO 811 Cb 0.42 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1vlf n PRO 811 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vlf n GLY 812 N 2.04 0.85 3.51 -1.23 0.00 -1.26 -5.06 105.19 104.03 1vlf n GLY 812 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1vlf n GLY 812 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vlf s THR 813 N -2.18 3.56 0.18 2.61 2.01 -0.42 -1.38 115.64 120.01 1vlf s THR 813 Ca 0.00 -0.51 0.11 0.00 0.31 0.00 0.00 61.69 61.60 1vlf s THR 813 Cb 0.00 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1vlf s THR 813 CO 0.00 0.56 -0.23 0.68 -0.69 0.00 0.00 174.62 174.94 1vlf s VAL 814 N -0.26 2.19 -0.04 3.82 -7.23 0.06 -4.30 120.40 114.65 1vlf s VAL 814 Ca 0.03 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.26 1vlf s VAL 814 Cb -0.13 -2.02 0.02 0.00 0.56 0.00 0.00 36.38 34.81 1vlf s VAL 814 CO 0.03 -0.13 -0.04 -2.28 -0.31 0.00 0.00 175.10 172.36 1vlf s HIS 815 N -1.65 0.68 -0.20 2.82 5.04 -0.75 -2.44 115.29 118.78 1vlf s HIS 815 Ca 0.18 -0.17 -0.07 0.00 -1.54 0.00 0.00 55.06 53.46 1vlf s HIS 815 Cb -0.08 -0.59 0.09 0.00 0.04 0.00 0.00 32.58 32.04 1vlf s HIS 815 CO 0.08 -0.15 0.42 0.45 -2.34 0.00 0.00 174.74 173.20 1vlf s SER 816 N 0.75 -0.30 0.56 9.88 0.15 -1.10 0.34 113.70 123.98 1vlf s SER 816 Ca -0.10 0.99 -0.21 0.00 0.70 0.00 0.00 55.95 57.33 1vlf s SER 816 Cb -0.13 1.27 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 1vlf s SER 816 CO 0.00 -0.23 1.33 -0.31 1.20 0.00 0.00 173.24 175.23 1vlf s TYR 817 N 2.44 2.28 0.05 3.44 4.12 -1.26 -4.03 117.35 124.39 1vlf s TYR 817 Ca -0.03 1.41 -0.00 0.00 0.02 0.00 0.00 57.07 58.47 1vlf s TYR 817 Cb -0.11 -3.74 0.01 0.00 -1.52 0.00 0.00 41.96 36.59 1vlf s TYR 817 CO -0.13 -2.80 0.07 -0.85 0.02 0.00 0.00 175.55 171.86 1vlf n GLU 818 N -1.19 0.37 -1.26 -0.62 -0.00 -0.17 -4.67 120.64 113.10 1vlf n GLU 818 Ca 0.11 -0.15 -0.08 0.00 -0.00 0.00 0.00 57.16 57.05 1vlf n GLU 818 Cb 0.46 -0.05 -0.03 0.00 -0.00 0.00 0.00 31.44 31.81 1vlf n GLU 818 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1vlf n SER 819 N -3.01 -3.87 -4.69 -1.84 7.64 -0.77 -4.12 113.62 102.97 1vlf n SER 819 Ca 0.01 0.18 -0.44 0.00 1.01 0.00 0.00 58.87 59.63 1vlf n SER 819 Cb 0.04 -2.09 -0.03 0.00 -1.01 0.00 0.00 64.21 61.12 1vlf n SER 819 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vlf h ALA 821 N 4.84 0.59 -2.92 0.00 0.00 -1.84 -3.38 119.26 116.55 1vlf h ALA 821 Ca -0.45 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.82 1vlf h ALA 821 Cb 1.26 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 1vlf h ALA 821 CO 0.80 0.00 -0.50 0.08 0.00 0.00 0.00 179.25 179.63 1vlf s VAL 822 N -3.22 5.31 -0.32 0.00 1.01 -1.26 -3.10 120.40 118.82 1vlf s VAL 822 Ca 0.05 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 1vlf s VAL 822 Cb 0.12 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 33.00 1vlf s VAL 822 CO 0.73 0.26 0.06 -0.47 0.00 0.00 0.00 175.10 175.68 1vlf s TYR 823 N 1.68 3.23 -0.48 5.22 5.04 -1.26 -4.03 117.35 126.74 1vlf s TYR 823 Ca 0.08 -1.48 0.04 0.00 -2.44 0.00 0.00 57.07 53.26 1vlf s TYR 823 Cb -0.16 -2.21 0.17 0.00 0.35 0.00 0.00 41.96 40.11 1vlf s TYR 823 CO 0.10 -0.73 0.37 0.34 -1.34 0.00 0.00 175.55 174.29 1vlf s ASP 824 N 1.37 2.33 0.41 4.32 2.15 -1.26 -4.77 116.67 121.23 1vlf s ASP 824 Ca -0.02 -3.20 -0.26 0.00 0.43 0.00 0.00 52.55 49.50 1vlf s ASP 824 Cb -0.19 -0.73 -0.09 0.00 -0.30 0.00 0.00 42.92 41.62 1vlf s ASP 824 CO 0.01 -0.16 1.29 -2.16 -0.17 0.00 0.00 175.17 173.98 1vlf s PRO 825 N -0.24 3.96 0.38 4.34 0.04 -1.26 -1.98 135.00 140.23 1vlf s PRO 825 Ca 0.30 2.13 0.23 0.00 0.04 0.00 0.00 61.00 63.70 1vlf s PRO 825 Cb -0.00 -2.74 0.33 0.00 0.04 0.00 0.00 34.50 32.13 1vlf s PRO 825 CO -0.18 -0.49 1.53 -0.07 0.04 0.00 0.00 177.00 177.83 1vlf h LEU 826 N 2.65 0.00 0.00 -3.56 3.38 -1.19 -3.43 115.31 113.15 1vlf h LEU 826 Ca -0.50 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1vlf h LEU 826 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1vlf h LEU 826 CO 0.62 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.77 1vlf n GLY 827 N 1.14 5.46 3.75 0.83 0.00 -1.26 -4.94 105.19 110.17 1vlf n GLY 827 Ca 0.03 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 1vlf n GLY 827 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vlf s THR 828 N 2.35 2.31 0.29 2.61 2.01 -1.26 -4.48 115.64 119.47 1vlf s THR 828 Ca 0.00 0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 1vlf s THR 828 Cb 0.00 -3.17 -0.12 0.00 0.01 0.00 0.00 72.50 69.22 1vlf s THR 828 CO 0.00 0.04 1.46 0.00 -0.69 0.00 0.00 174.62 175.44 1vlf n ALA 829 N 2.10 1.81 -0.74 7.40 0.00 -1.26 -1.58 120.51 128.24 1vlf n ALA 829 Ca 0.07 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1vlf n ALA 829 Cb 0.39 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1vlf n ALA 829 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vlf n GLY 830 N 1.70 0.69 0.00 0.00 0.00 -1.26 -4.75 105.19 101.56 1vlf n GLY 830 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1vlf n GLY 830 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vlf n LYS 831 N -2.00 -0.65 -4.31 1.61 5.02 -0.61 -4.82 118.16 112.40 1vlf n LYS 831 Ca 0.00 -0.34 -0.19 0.00 -2.02 0.00 0.00 58.31 55.75 1vlf n LYS 831 Cb 0.00 -0.84 -0.08 0.00 -0.02 0.00 0.00 35.03 34.09 1vlf n LYS 831 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1vlf s SER 832 N -0.01 1.66 0.47 4.39 1.04 -1.06 -1.98 113.70 118.22 1vlf s SER 832 Ca 0.00 -1.71 -0.23 0.00 0.48 0.00 0.00 55.95 54.49 1vlf s SER 832 Cb 0.00 0.53 -0.07 0.00 0.10 0.00 0.00 66.02 66.58 1vlf s SER 832 CO 0.00 -1.02 1.23 0.00 0.98 0.00 0.00 173.24 174.43 1vlf s ALA 833 N -3.49 2.99 -0.03 5.32 0.00 -0.40 -4.69 121.76 121.45 1vlf s ALA 833 Ca 0.38 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.43 1vlf s ALA 833 Cb 0.03 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1vlf s ALA 833 CO 0.24 -0.84 -0.07 0.34 0.00 0.00 0.00 175.76 175.44 1vlf s ASP 834 N -1.16 4.64 0.00 0.00 2.15 -0.89 -0.65 116.67 120.75 1vlf s ASP 834 Ca 0.64 -0.08 0.09 0.00 0.43 0.00 0.00 52.55 53.63 1vlf s ASP 834 Cb -0.33 -1.13 0.13 0.00 -0.30 0.00 0.00 42.92 41.29 1vlf s ASP 834 CO 0.40 0.33 0.91 -2.11 -0.17 0.00 0.00 175.17 174.53 1vlf n ARG 835 N 1.91 1.08 -0.12 4.34 1.85 -0.84 -0.51 116.66 124.38 1vlf n ARG 835 Ca -0.17 -1.32 -0.09 0.00 -1.00 0.00 0.00 57.85 55.27 1vlf n ARG 835 Cb 0.53 -1.18 0.05 0.00 -1.05 0.00 0.00 32.46 30.80 1vlf n ARG 835 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1vlf h GLY 836 N 1.69 0.95 0.00 2.89 0.00 -1.74 -3.42 103.07 103.44 1vlf h GLY 836 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1vlf h GLY 836 CO 0.00 0.76 0.00 0.61 0.00 0.00 0.00 176.54 177.91 1vlf n GLY 837 N -0.17 1.88 3.58 4.60 0.00 -1.26 -4.34 105.19 109.48 1vlf n GLY 837 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1vlf n GLY 837 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vlf h ILE 839 N 5.98 0.87 0.00 0.00 1.08 -1.88 -1.81 117.51 121.75 1vlf h ILE 839 Ca 0.31 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.74 1vlf h ILE 839 Cb 0.91 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.40 1vlf h ILE 839 CO 1.33 0.02 0.00 0.59 -0.69 0.00 0.00 178.15 179.41 1vlf n ASN 840 N -4.46 0.00 0.20 1.72 3.02 -1.26 -0.85 115.26 113.63 1vlf n ASN 840 Ca 0.06 0.01 0.05 0.00 -0.03 0.00 0.00 54.58 54.67 1vlf n ASN 840 Cb 0.36 -0.17 0.41 0.00 -0.61 0.00 0.00 39.78 39.77 1vlf n ASN 840 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1vlf h ILE 841 N 0.00 1.07 0.00 2.41 2.04 -1.56 -1.51 117.51 119.96 1vlf h ILE 841 Ca 0.00 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1vlf h ILE 841 Cb 0.04 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1vlf h ILE 841 CO 0.00 0.34 -0.94 0.18 0.00 0.00 0.00 178.15 177.73 1vlf n LEU 842 N -3.88 0.63 -4.80 1.44 4.77 -0.03 -4.13 117.00 111.00 1vlf n LEU 842 Ca -0.01 -0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.62 1vlf n LEU 842 Cb 0.41 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1vlf n LEU 842 CO 0.37 0.04 0.70 0.42 -1.33 0.00 0.00 177.39 177.60 1vlf s THR 843 N -3.17 3.91 0.19 -5.08 -4.23 -1.19 -4.80 115.64 101.27 1vlf s THR 843 Ca 0.05 1.31 -0.30 0.00 -1.18 0.00 0.00 61.69 61.56 1vlf s THR 843 Cb 0.14 -3.60 -0.09 0.00 1.34 0.00 0.00 72.50 70.29 1vlf s THR 843 CO 0.79 -0.14 1.38 -2.16 -0.54 0.00 0.00 174.62 173.95 1vlf s PRO 844 N -2.88 4.33 0.00 3.99 0.04 -1.26 -0.40 135.00 138.81 1vlf s PRO 844 Ca 0.62 2.14 0.26 0.00 0.04 0.00 0.00 61.00 64.06 1vlf s PRO 844 Cb -0.17 -3.18 0.73 0.00 0.04 0.00 0.00 34.50 31.92 1vlf s PRO 844 CO 0.21 -0.37 1.56 -0.40 0.04 0.00 0.00 177.00 178.04 1vlf n ASP 845 N 3.00 1.67 -4.75 6.66 3.85 -1.26 -4.50 116.55 121.22 1vlf n ASP 845 Ca 0.08 -1.42 -0.41 0.00 -0.71 0.00 0.00 54.79 52.33 1vlf n ASP 845 Cb 0.42 0.08 -0.02 0.00 -1.35 0.00 0.00 41.12 40.24 1vlf n ASP 845 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1vlf s ARG 846 N -2.18 4.32 0.62 0.11 3.52 -1.26 -4.97 118.95 119.12 1vlf s ARG 846 Ca 0.31 2.22 -0.18 0.00 -0.13 0.00 0.00 55.73 57.95 1vlf s ARG 846 Cb 0.20 -3.11 -0.02 0.00 -1.56 0.00 0.00 34.95 30.46 1vlf s ARG 846 CO 0.40 -0.31 1.23 0.71 -0.81 0.00 0.00 175.30 176.52 1vlf s TYR 847 N -0.34 2.28 0.35 5.12 4.12 -1.26 -4.39 117.35 123.22 1vlf s TYR 847 Ca 0.55 1.52 0.13 0.00 0.02 0.00 0.00 57.07 59.29 1vlf s TYR 847 Cb -0.40 -3.52 0.97 0.00 -1.52 0.00 0.00 41.96 37.49 1vlf s TYR 847 CO 0.45 -2.42 1.74 0.82 0.02 0.00 0.00 175.55 176.16 1vlf h ILE 848 N 0.65 0.51 -3.82 2.71 2.04 -1.34 -3.43 117.51 114.84 1vlf h ILE 848 Ca -0.50 -0.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.03 1vlf h ILE 848 Cb 1.31 -0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 1vlf h ILE 848 CO 0.54 0.09 -0.12 -0.94 0.00 0.00 0.00 178.15 177.73 1vlf s SER 849 N -5.19 0.40 0.27 1.72 1.04 -1.08 -4.94 113.70 105.92 1vlf s SER 849 Ca -0.10 -1.23 -0.01 0.00 0.48 0.00 0.00 55.95 55.09 1vlf s SER 849 Cb 0.27 0.65 0.48 0.00 0.10 0.00 0.00 66.02 67.52 1vlf s SER 849 CO 0.80 -1.28 1.85 0.50 0.98 0.00 0.00 173.24 176.09 1vlf h LYS 850 N 2.16 1.04 0.00 4.02 3.64 -1.92 -3.16 116.57 122.35 1vlf h LYS 850 Ca -0.28 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1vlf h LYS 850 Cb 1.25 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1vlf h LYS 850 CO 0.38 0.69 -0.46 0.66 -2.27 0.00 0.00 179.45 178.44 1vlf n TYR 851 N -4.57 0.00 -2.88 1.91 4.01 -1.26 -4.78 117.16 109.59 1vlf n TYR 851 Ca 0.17 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.48 1vlf n TYR 851 Cb 0.28 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.27 1vlf n TYR 851 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vlf s ALA 852 N -1.78 3.48 -1.30 -0.72 0.00 -1.20 -4.64 121.76 115.59 1vlf s ALA 852 Ca 0.02 -2.90 -0.09 0.00 0.00 0.00 0.00 51.96 49.00 1vlf s ALA 852 Cb 0.05 -4.15 -0.11 0.00 0.00 0.00 0.00 23.12 18.92 1vlf s ALA 852 CO 0.30 -3.00 2.91 0.00 0.00 0.00 0.00 175.76 175.97 1vlf s GLY 854 N 2.33 2.49 0.19 0.00 0.00 -1.26 -4.91 107.32 106.16 1vlf s GLY 854 Ca 0.65 -2.12 -0.24 0.00 0.00 0.00 0.00 44.72 43.01 1vlf s GLY 854 CO -0.05 -2.05 0.77 -3.16 0.00 0.00 0.00 173.10 168.62 1vlf s MET 855 N -3.79 4.48 -0.29 2.90 0.23 -1.26 -2.13 119.30 119.44 1vlf s MET 855 Ca 0.35 1.09 0.08 0.00 -1.03 0.00 0.00 55.69 56.18 1vlf s MET 855 Cb 0.08 -3.12 0.45 0.00 -1.53 0.00 0.00 34.83 30.71 1vlf s MET 855 CO 0.19 0.50 1.29 0.00 -2.03 0.00 0.00 175.02 174.96 1vlf n ALA 856 N 1.27 4.57 -0.25 3.16 0.00 -1.26 -3.88 120.51 124.13 1vlf n ALA 856 Ca -0.04 -3.53 0.06 0.00 0.00 0.00 0.00 53.44 49.92 1vlf n ALA 856 Cb 0.49 -0.47 0.18 0.00 0.00 0.00 0.00 19.45 19.65 1vlf n ALA 856 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1vlf h ASN 857 N 1.63 -0.14 0.00 0.00 4.21 -1.73 -3.15 115.58 116.40 1vlf h ASN 857 Ca 0.25 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.93 1vlf h ASN 857 Cb 1.34 0.26 0.00 0.00 -1.12 0.00 0.00 38.32 38.80 1vlf h ASN 857 CO 0.52 -0.11 0.00 0.59 -1.29 0.00 0.00 177.43 177.14 1vlf n ASN 858 N -5.24 0.11 -3.77 5.81 3.02 -0.40 -4.08 115.26 110.72 1vlf n ASN 858 Ca 0.14 -1.08 -0.30 0.00 -0.03 0.00 0.00 54.58 53.31 1vlf n ASN 858 Cb 0.48 -0.06 -0.15 0.00 -0.61 0.00 0.00 39.78 39.45 1vlf n ASN 858 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1vlf s THR 859 N -1.80 1.07 -0.03 3.41 -4.23 -1.19 -4.35 115.64 108.51 1vlf s THR 859 Ca 0.00 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1vlf s THR 859 Cb 0.00 -1.80 0.03 0.00 1.34 0.00 0.00 72.50 72.06 1vlf s THR 859 CO 0.00 -0.68 -0.01 0.00 -0.54 0.00 0.00 174.62 173.39 1vlf s ALA 860 N 1.48 0.38 -0.15 3.99 0.00 -0.96 -4.63 121.76 121.87 1vlf s ALA 860 Ca 0.10 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.03 1vlf s ALA 860 Cb -0.18 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1vlf s ALA 860 CO -0.22 -0.06 0.35 -0.51 0.00 0.00 0.00 175.76 175.32 1vlf s LEU 861 N 0.98 4.25 0.32 0.00 1.43 -1.26 0.27 118.68 124.66 1vlf s LEU 861 Ca -0.10 0.59 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 1vlf s LEU 861 Cb -0.14 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 1vlf s LEU 861 CO -0.01 0.06 0.30 0.68 0.23 0.00 0.00 176.35 177.61 1vlf s VAL 862 N 0.57 0.00 0.01 -1.59 -7.23 0.35 -4.78 120.40 107.72 1vlf s VAL 862 Ca 0.19 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1vlf s VAL 862 Cb -0.14 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 1vlf s VAL 862 CO 0.06 0.00 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.11 1vlf s GLU 863 N -3.44 0.32 0.11 4.82 2.56 -0.57 -1.61 118.70 120.89 1vlf s GLU 863 Ca 0.39 -0.31 0.06 0.00 0.00 0.00 0.00 54.97 55.11 1vlf s GLU 863 Cb 0.02 -0.22 -0.04 0.00 2.00 0.00 0.00 34.13 35.90 1vlf s GLU 863 CO 0.25 0.05 -0.16 0.96 -0.56 0.00 0.00 175.26 175.80 1vlf s ILE 864 N -0.52 1.40 0.16 -3.70 -4.36 -1.26 -0.94 121.20 111.99 1vlf s ILE 864 Ca -0.03 -1.63 -0.21 0.00 -0.26 0.00 0.00 60.65 58.52 1vlf s ILE 864 Cb -0.04 -1.48 0.06 0.00 1.25 0.00 0.00 42.46 42.25 1vlf s ILE 864 CO -0.00 -0.31 0.56 -1.83 0.24 0.00 0.00 174.94 173.60 1vlf s GLU 865 N -2.37 1.27 0.34 0.37 -1.05 -0.74 -4.97 118.70 111.56 1vlf s GLU 865 Ca 0.07 -0.57 -0.29 0.00 -0.15 0.00 0.00 54.97 54.03 1vlf s GLU 865 Cb -0.07 0.56 -0.11 0.00 -0.44 0.00 0.00 34.13 34.08 1vlf s GLU 865 CO 0.03 -0.55 1.43 0.15 0.95 0.00 0.00 175.26 177.28 1vlf s LYS 866 N -3.78 4.21 0.05 -4.83 1.02 -1.26 0.62 119.74 115.77 1vlf s LYS 866 Ca 0.02 2.43 -0.30 0.00 0.02 0.00 0.00 55.97 58.14 1vlf s LYS 866 Cb -0.01 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.23 1vlf s LYS 866 CO -0.11 -0.41 1.15 -0.46 -0.92 0.00 0.00 175.35 174.60 1vlf s TRP 867 N -0.91 3.49 -2.01 3.18 -0.00 -0.63 -4.63 118.94 117.43 1vlf s TRP 867 Ca 0.53 1.39 0.27 0.00 -0.00 0.00 0.00 56.10 58.29 1vlf s TRP 867 Cb -0.44 -3.36 0.91 0.00 -0.00 0.00 0.00 33.47 30.59 1vlf s TRP 867 CO 0.56 -1.01 1.66 -0.40 -0.00 0.00 0.00 176.95 177.76 1vlf n ASP 868 N 3.88 1.13 0.00 5.86 5.75 -1.26 -4.94 116.55 126.97 1vlf n ASP 868 Ca 0.08 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.79 1vlf n ASP 868 Cb 0.47 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1vlf n ASP 868 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vlf n GLY 869 N 1.27 0.27 3.79 6.12 0.00 -1.26 -5.07 105.19 110.32 1vlf n GLY 869 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1vlf n GLY 869 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vlf s ASP 870 N -2.32 5.71 0.09 1.61 3.68 -1.26 -4.96 116.67 119.22 1vlf s ASP 870 Ca 0.00 1.88 0.25 0.00 2.13 0.00 0.00 52.55 56.82 1vlf s ASP 870 Cb 0.00 -2.54 0.58 0.00 -1.45 0.00 0.00 42.92 39.51 1vlf s ASP 870 CO 0.00 -1.22 1.50 2.29 0.13 0.00 0.00 175.17 177.88 1vlf n LYS 871 N -1.95 0.18 -3.65 4.34 2.85 -1.26 -4.97 118.16 113.70 1vlf n LYS 871 Ca 0.09 0.08 -0.25 0.00 -1.05 0.00 0.00 58.31 57.18 1vlf n LYS 871 Cb 0.53 -1.64 0.02 0.00 -0.65 0.00 0.00 35.03 33.29 1vlf n LYS 871 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1vlf n TYR 872 N -1.91 -2.10 -2.82 5.58 4.02 -1.26 -1.27 117.16 117.39 1vlf n TYR 872 Ca 0.05 0.67 -0.44 0.00 -0.01 0.00 0.00 57.90 58.17 1vlf n TYR 872 Cb 0.40 -3.26 0.00 0.00 -0.02 0.00 0.00 39.34 36.46 1vlf n TYR 872 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1vlf n GLU 873 N -3.28 3.44 -0.63 -0.72 2.13 -1.26 -3.32 120.64 117.00 1vlf n GLU 873 Ca -0.16 -3.80 0.03 0.00 0.66 0.00 0.00 57.16 53.90 1vlf n GLU 873 Cb 0.61 -3.00 0.04 0.00 0.27 0.00 0.00 31.44 29.36 1vlf n GLU 873 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1vlf n ILE 874 N 4.27 0.50 0.11 6.31 -5.35 -0.99 -4.95 119.36 119.26 1vlf n ILE 874 Ca 0.37 -0.84 0.01 0.00 -0.27 0.00 0.00 62.75 62.03 1vlf n ILE 874 Cb 0.41 0.42 0.01 0.00 -1.74 0.00 0.00 39.64 38.74 1vlf n ILE 874 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57