#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vle n GLY 2 N 0.00 2.48 3.99 3.03 0.00 -1.26 -5.03 105.19 108.40 1vle n GLY 2 Ca 0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 1vle n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vle s GLU 3 N -0.38 2.85 0.14 1.61 0.41 -1.26 -4.81 118.70 117.26 1vle s GLU 3 Ca 0.00 -1.23 -0.27 0.00 -0.41 0.00 0.00 54.97 53.06 1vle s GLU 3 Cb 0.00 -2.73 -0.07 0.00 -1.78 0.00 0.00 34.13 29.55 1vle s GLU 3 CO 0.00 -0.20 0.82 0.08 -0.49 0.00 0.00 175.26 175.47 1vle s VAL 4 N -2.33 4.42 -0.01 2.63 1.01 -1.26 -4.45 120.40 120.41 1vle s VAL 4 Ca 0.52 1.79 0.05 0.00 0.00 0.00 0.00 61.98 64.35 1vle s VAL 4 Cb -0.09 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1vle s VAL 4 CO 0.32 0.46 -0.18 -0.69 0.00 0.00 0.00 175.10 175.02 1vle s VAL 5 N -0.77 1.38 -0.27 2.92 1.01 0.58 -4.96 120.40 120.29 1vle s VAL 5 Ca 0.38 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 1vle s VAL 5 Cb -0.23 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1vle s VAL 5 CO 0.27 0.36 0.38 -0.60 0.00 0.00 0.00 175.10 175.51 1vle s ARG 6 N -0.49 4.03 0.47 2.72 3.52 -1.26 -1.12 118.95 126.81 1vle s ARG 6 Ca 0.07 0.06 0.05 0.00 -0.13 0.00 0.00 55.73 55.77 1vle s ARG 6 Cb -0.07 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 1vle s ARG 6 CO -0.00 -0.26 0.11 -0.51 -0.81 0.00 0.00 175.30 173.82 1vle s LEU 7 N 2.03 2.70 0.15 -0.88 1.43 0.66 -4.92 118.68 119.85 1vle s LEU 7 Ca 0.15 -1.38 0.10 0.00 -1.03 0.00 0.00 54.13 51.98 1vle s LEU 7 Cb -0.16 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 1vle s LEU 7 CO 0.10 -0.72 -0.24 0.42 0.23 0.00 0.00 176.35 176.13 1vle s THR 8 N -2.75 2.16 0.12 5.49 -4.23 -1.26 0.31 115.64 115.47 1vle s THR 8 Ca 0.26 -1.81 -0.14 0.00 -1.18 0.00 0.00 61.69 58.81 1vle s THR 8 Cb 0.04 -1.95 0.05 0.00 1.34 0.00 0.00 72.50 71.98 1vle s THR 8 CO 0.14 -0.03 0.69 -3.20 -0.54 0.00 0.00 174.62 171.69 1vle n ASN 9 N 0.71 -1.14 -1.15 3.99 2.85 -0.83 -1.36 115.26 118.34 1vle n ASN 9 Ca -0.16 -1.59 -0.01 0.00 -0.11 0.00 0.00 54.58 52.71 1vle n ASN 9 Cb 0.54 1.85 -0.00 0.00 1.24 0.00 0.00 39.78 43.41 1vle n ASN 9 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1vle n SER 10 N -1.05 -0.11 -3.36 1.20 2.88 -1.26 -0.58 113.62 111.34 1vle n SER 10 Ca -0.01 -1.14 -0.02 0.00 -1.33 0.00 0.00 58.87 56.37 1vle n SER 10 Cb 0.39 0.21 0.02 0.00 -0.75 0.00 0.00 64.21 64.08 1vle n SER 10 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1vle n SER 11 N -1.94 -1.63 0.00 -3.46 3.41 -0.97 -4.80 113.62 104.23 1vle n SER 11 Ca -0.00 -1.79 0.10 0.00 -0.26 0.00 0.00 58.87 56.92 1vle n SER 11 Cb 0.04 2.64 0.58 0.00 -0.26 0.00 0.00 64.21 67.21 1vle n SER 11 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1vle n THR 12 N -0.75 0.00 -0.02 6.66 -2.24 -1.26 -2.04 114.28 114.63 1vle n THR 12 Ca -0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1vle n THR 12 Cb 0.58 -0.46 0.02 0.00 -2.10 0.00 0.00 70.33 68.36 1vle n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vle n GLY 13 N 0.56 2.87 0.00 3.38 0.00 -1.26 -3.94 105.19 106.79 1vle n GLY 13 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1vle n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 14 N -0.37 2.73 3.74 -0.02 0.00 -0.87 -1.38 105.19 109.02 1vle n GLY 14 Ca 0.01 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 1vle n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1vle s PRO 15 N -2.77 1.88 0.01 1.61 0.02 -1.26 -2.30 135.00 132.20 1vle s PRO 15 Ca 0.00 1.24 -0.16 0.00 0.02 0.00 0.00 61.00 62.10 1vle s PRO 15 Cb 0.00 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.70 1vle s PRO 15 CO 0.00 -1.93 0.34 0.14 -0.33 0.00 0.00 177.00 175.22 1vle s VAL 16 N -2.84 0.06 -0.20 3.83 -7.23 0.26 -4.52 120.40 109.76 1vle s VAL 16 Ca 0.63 -0.52 -0.14 0.00 -1.81 0.00 0.00 61.98 60.14 1vle s VAL 16 Cb -0.19 -0.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1vle s VAL 16 CO 0.57 -0.29 0.31 -0.36 -0.31 0.00 0.00 175.10 175.02 1vle s PHE 17 N -1.95 3.38 -0.22 2.82 2.99 -0.82 -1.96 117.98 122.22 1vle s PHE 17 Ca -0.09 0.51 -0.04 0.00 0.00 0.00 0.00 56.93 57.31 1vle s PHE 17 Cb -0.03 -2.41 -0.01 0.00 0.00 0.00 0.00 43.02 40.58 1vle s PHE 17 CO 0.01 0.08 -0.04 0.08 -0.00 0.00 0.00 175.22 175.35 1vle s VAL 18 N 1.00 3.41 -0.32 -0.44 1.01 0.15 -1.92 120.40 123.28 1vle s VAL 18 Ca 0.15 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 1vle s VAL 18 Cb -0.14 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1vle s VAL 18 CO 0.06 0.42 0.58 -0.31 0.00 0.00 0.00 175.10 175.85 1vle s TYR 19 N 1.42 3.19 0.04 5.22 1.51 -0.46 -0.24 117.35 128.03 1vle s TYR 19 Ca 0.05 0.42 0.08 0.00 -1.01 0.00 0.00 57.07 56.61 1vle s TYR 19 Cb -0.14 -2.97 -0.03 0.00 -0.11 0.00 0.00 41.96 38.70 1vle s TYR 19 CO -0.03 -0.50 -0.20 0.08 -1.11 0.00 0.00 175.55 173.79 1vle s VAL 20 N 2.53 2.61 -0.17 0.71 1.01 -0.28 0.80 120.40 127.62 1vle s VAL 20 Ca 0.23 -1.25 -0.07 0.00 0.00 0.00 0.00 61.98 60.89 1vle s VAL 20 Cb -0.15 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.22 1vle s VAL 20 CO 0.13 0.34 0.38 -0.75 0.00 0.00 0.00 175.10 175.20 1vle s LYS 21 N -1.39 0.32 -1.36 2.72 2.20 -0.52 -0.31 119.74 121.39 1vle s LYS 21 Ca 0.14 0.85 -0.05 0.00 -0.36 0.00 0.00 55.97 56.55 1vle s LYS 21 Cb -0.10 0.09 0.03 0.00 -1.51 0.00 0.00 37.83 36.33 1vle s LYS 21 CO 0.04 -0.21 0.87 -0.25 -0.36 0.00 0.00 175.35 175.44 1vle n ASP 22 N 4.80 -2.82 -0.45 1.43 8.00 -1.26 -2.02 116.55 124.23 1vle n ASP 22 Ca -0.16 -0.76 -0.06 0.00 0.71 0.00 0.00 54.79 54.52 1vle n ASP 22 Cb 0.52 -4.23 -0.03 0.00 -0.02 0.00 0.00 41.12 37.36 1vle n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vle n GLY 23 N -1.60 0.75 3.09 0.44 0.00 -1.26 -5.00 105.19 101.60 1vle n GLY 23 Ca -0.17 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 1vle n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vle s LYS 24 N -2.07 1.26 -0.10 1.61 2.20 -0.85 -4.69 119.74 117.10 1vle s LYS 24 Ca 0.00 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 1vle s LYS 24 Cb 0.00 -1.16 -0.03 0.00 -1.51 0.00 0.00 37.83 35.13 1vle s LYS 24 CO 0.00 0.23 1.23 0.42 -0.36 0.00 0.00 175.35 176.88 1vle s ILE 25 N -0.09 4.25 -0.11 5.43 1.01 -1.26 -1.44 121.20 128.99 1vle s ILE 25 Ca 0.01 1.55 -0.10 0.00 0.00 0.00 0.00 60.65 62.11 1vle s ILE 25 Cb -0.08 -4.00 -0.26 0.00 0.01 0.00 0.00 42.46 38.13 1vle s ILE 25 CO 0.00 -0.06 0.42 0.40 0.00 0.00 0.00 174.94 175.71 1vle h ILE 26 N 5.21 0.75 -2.41 2.92 2.04 0.03 -3.49 117.51 122.55 1vle h ILE 26 Ca -0.31 -2.36 0.11 0.00 1.00 0.00 0.00 64.86 63.30 1vle h ILE 26 Cb 1.14 2.55 -0.12 0.00 -0.74 0.00 0.00 36.82 39.64 1vle h ILE 26 CO 0.92 0.82 0.45 0.00 0.00 0.00 0.00 178.15 180.34 1vle s ARG 27 N -2.54 1.03 -0.04 2.37 1.70 -1.20 -5.00 118.95 115.27 1vle s ARG 27 Ca -0.22 -0.46 0.03 0.00 -0.47 0.00 0.00 55.73 54.61 1vle s ARG 27 Cb 0.06 0.42 0.01 0.00 -0.57 0.00 0.00 34.95 34.87 1vle s ARG 27 CO 0.77 -0.46 -0.11 -1.64 -1.08 0.00 0.00 175.30 172.78 1vle s MET 28 N -3.28 1.26 0.14 3.89 -1.94 -1.26 -1.36 119.30 116.76 1vle s MET 28 Ca 0.07 -0.35 -0.01 0.00 -1.71 0.00 0.00 55.69 53.68 1vle s MET 28 Cb -0.01 -1.12 -0.04 0.00 2.01 0.00 0.00 34.83 35.67 1vle s MET 28 CO -0.05 0.09 0.07 0.95 -0.01 0.00 0.00 175.02 176.07 1vle s THR 29 N 0.37 0.08 1.12 2.05 -4.23 -0.81 -4.94 115.64 109.28 1vle s THR 29 Ca -0.07 -1.92 -0.14 0.00 -1.18 0.00 0.00 61.69 58.38 1vle s THR 29 Cb -0.12 -2.13 0.25 0.00 1.34 0.00 0.00 72.50 71.84 1vle s THR 29 CO 0.02 -0.37 1.06 -2.84 -0.54 0.00 0.00 174.62 171.94 1vle s PRO 30 N -4.07 -0.58 -0.16 3.99 0.02 -1.26 -1.95 135.00 130.99 1vle s PRO 30 Ca 0.27 0.53 -0.06 0.00 0.02 0.00 0.00 61.00 61.77 1vle s PRO 30 Cb 0.07 -1.62 -0.04 0.00 0.02 0.00 0.00 34.50 32.94 1vle s PRO 30 CO 0.04 -3.41 0.03 -1.64 -0.33 0.00 0.00 177.00 171.68 1vle s MET 31 N -4.81 3.78 -0.11 5.54 -1.94 -1.26 -4.46 119.30 116.04 1vle s MET 31 Ca 0.67 -0.40 -0.17 0.00 -1.71 0.00 0.00 55.69 54.09 1vle s MET 31 Cb -0.20 -3.08 -0.05 0.00 2.01 0.00 0.00 34.83 33.51 1vle s MET 31 CO 0.60 0.32 0.42 -0.51 -0.01 0.00 0.00 175.02 175.84 1vle s ASP 32 N 0.21 6.64 0.50 3.03 1.01 -1.26 -1.13 116.67 125.67 1vle s ASP 32 Ca 0.02 0.76 -0.17 0.00 0.71 0.00 0.00 52.55 53.87 1vle s ASP 32 Cb -0.13 -2.26 -0.08 0.00 1.01 0.00 0.00 42.92 41.46 1vle s ASP 32 CO 0.01 0.07 0.97 -0.36 0.21 0.00 0.00 175.17 176.08 1vle s PHE 33 N 0.36 3.43 -0.38 4.23 2.99 -1.01 -5.00 117.98 122.60 1vle s PHE 33 Ca 0.23 1.48 -0.05 0.00 0.00 0.00 0.00 56.93 58.59 1vle s PHE 33 Cb -0.15 -2.79 0.08 0.00 0.00 0.00 0.00 43.02 40.16 1vle s PHE 33 CO 0.09 -0.32 0.17 0.34 -0.00 0.00 0.00 175.22 175.49 1vle s ASP 34 N -2.95 5.29 0.67 1.36 -1.08 -1.26 -4.97 116.67 113.73 1vle s ASP 34 Ca 0.59 -1.65 0.40 0.00 -0.52 0.00 0.00 52.55 51.37 1vle s ASP 34 Cb -0.10 -1.85 2.16 0.00 -1.46 0.00 0.00 42.92 41.67 1vle s ASP 34 CO 0.29 -0.47 2.22 0.44 0.52 0.00 0.00 175.17 178.17 1vle h ASP 35 N 8.15 0.00 1.09 -0.34 3.32 -1.96 0.61 116.42 127.29 1vle h ASP 35 Ca -0.18 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 1vle h ASP 35 Cb 1.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1vle h ASP 35 CO 0.67 0.00 -0.21 0.00 -1.72 0.00 0.00 179.24 177.98 1vle h ALA 36 N 1.77 0.98 0.00 3.45 0.00 -2.01 -3.36 119.26 120.08 1vle h ALA 36 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1vle h ALA 36 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1vle h ALA 36 CO -0.00 0.26 -0.10 1.33 0.00 0.00 0.00 179.25 180.74 1vle n VAL 37 N -3.31 0.00 -3.79 0.00 0.24 -0.20 -5.04 118.33 106.23 1vle n VAL 37 Ca 0.01 -0.19 -0.36 0.00 -2.04 0.00 0.00 64.34 61.76 1vle n VAL 37 Cb 0.46 0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 33.57 1vle n VAL 37 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1vle s ASP 38 N -0.57 5.90 0.52 -1.34 1.01 0.20 -4.95 116.67 117.43 1vle s ASP 38 Ca 0.00 0.09 -0.20 0.00 0.71 0.00 0.00 52.55 53.15 1vle s ASP 38 Cb 0.00 -2.04 -0.09 0.00 1.01 0.00 0.00 42.92 41.80 1vle s ASP 38 CO 0.00 0.11 0.78 0.00 0.21 0.00 0.00 175.17 176.27 1vle n ALA 39 N 3.98 -0.47 -1.53 5.23 0.00 -1.26 -4.57 120.51 121.89 1vle n ALA 39 Ca -0.16 0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 1vle n ALA 39 Cb 0.52 -1.97 0.08 0.00 0.00 0.00 0.00 19.45 18.08 1vle n ALA 39 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1vle s PRO 40 N -2.17 2.37 0.88 0.00 0.02 -1.26 -4.95 135.00 129.88 1vle s PRO 40 Ca 0.68 1.87 -0.14 0.00 0.02 0.00 0.00 61.00 63.44 1vle s PRO 40 Cb -0.49 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 32.32 1vle s PRO 40 CO 0.54 -1.69 1.24 -1.12 -0.33 0.00 0.00 177.00 175.64 1vle s SER 41 N -1.76 3.88 0.71 2.53 0.01 -1.26 -4.17 113.70 113.65 1vle s SER 41 Ca 0.78 0.55 -0.09 0.00 1.31 0.00 0.00 55.95 58.50 1vle s SER 41 Cb -0.32 -0.84 0.05 0.00 0.21 0.00 0.00 66.02 65.12 1vle s SER 41 CO 0.42 -2.28 1.05 -1.66 0.41 0.00 0.00 173.24 171.18 1vle s TRP 42 N -3.72 3.04 -0.03 2.43 1.48 -1.26 -4.91 118.94 115.97 1vle s TRP 42 Ca 0.67 0.65 -0.04 0.00 -1.06 0.00 0.00 56.10 56.33 1vle s TRP 42 Cb -0.08 -3.18 0.01 0.00 -1.16 0.00 0.00 33.47 29.06 1vle s TRP 42 CO 0.51 -1.38 0.10 0.15 -4.06 0.00 0.00 176.95 172.27 1vle s LYS 43 N -5.31 0.13 -0.16 3.25 1.02 -1.26 -4.40 119.74 113.00 1vle s LYS 43 Ca 0.59 0.10 0.01 0.00 0.02 0.00 0.00 55.97 56.69 1vle s LYS 43 Cb -0.11 0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.29 1vle s LYS 43 CO 0.47 -0.02 -0.16 0.42 -0.92 0.00 0.00 175.35 175.14 1vle s ILE 44 N -0.04 1.75 -0.15 2.17 1.01 0.62 -4.95 121.20 121.61 1vle s ILE 44 Ca -0.01 -0.77 -0.22 0.00 0.00 0.00 0.00 60.65 59.65 1vle s ILE 44 Cb -0.01 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1vle s ILE 44 CO 0.00 0.47 0.65 -1.61 0.00 0.00 0.00 174.94 174.45 1vle s GLU 45 N 1.41 4.29 -0.21 2.79 8.01 -1.26 -0.77 118.70 132.96 1vle s GLU 45 Ca 0.05 0.71 -0.11 0.00 0.01 0.00 0.00 54.97 55.62 1vle s GLU 45 Cb -0.13 -3.53 0.07 0.00 -4.31 0.00 0.00 34.13 26.23 1vle s GLU 45 CO -0.11 -0.13 0.51 0.00 0.01 0.00 0.00 175.26 175.54 1vle s ALA 46 N 1.50 -1.37 -1.51 5.21 0.00 -0.05 -4.92 121.76 120.63 1vle s ALA 46 Ca 0.32 1.85 -0.10 0.00 0.00 0.00 0.00 51.96 54.03 1vle s ALA 46 Cb -0.16 -1.16 0.07 0.00 0.00 0.00 0.00 23.12 21.87 1vle s ALA 46 CO 0.13 -0.38 0.78 0.54 0.00 0.00 0.00 175.76 176.83 1vle n ARG 47 N 4.44 -4.48 0.00 0.00 1.74 -1.26 -1.22 116.66 115.88 1vle n ARG 47 Ca -0.20 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1vle n ARG 47 Cb 0.56 -5.16 0.00 0.00 -1.02 0.00 0.00 32.46 26.83 1vle n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vle n GLY 48 N -1.66 2.91 3.90 -0.13 0.00 -1.26 -4.99 105.19 103.95 1vle n GLY 48 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1vle n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vle s LYS 49 N 0.00 3.67 -0.23 1.61 1.02 -0.36 -5.08 119.74 120.38 1vle s LYS 49 Ca 0.00 0.08 -0.05 0.00 0.02 0.00 0.00 55.97 56.03 1vle s LYS 49 Cb 0.00 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1vle s LYS 49 CO 0.00 0.22 -0.02 0.99 -0.92 0.00 0.00 175.35 175.62 1vle s THR 50 N -2.04 3.56 -0.19 2.17 2.01 -1.26 -0.87 115.64 119.02 1vle s THR 50 Ca 0.45 -0.43 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 1vle s THR 50 Cb -0.11 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 1vle s THR 50 CO 0.28 0.41 0.01 -0.36 -0.69 0.00 0.00 174.62 174.27 1vle s PHE 51 N 1.51 3.10 -0.06 4.92 0.40 0.05 -4.94 117.98 122.96 1vle s PHE 51 Ca 0.06 -0.25 -0.05 0.00 -0.60 0.00 0.00 56.93 56.09 1vle s PHE 51 Cb -0.14 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.34 1vle s PHE 51 CO -0.02 -0.08 0.16 -0.08 0.70 0.00 0.00 175.22 175.91 1vle s THR 52 N 0.69 -0.00 0.86 0.64 -1.32 -1.26 -0.28 115.64 114.98 1vle s THR 52 Ca 0.01 0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.38 1vle s THR 52 Cb -0.14 -0.23 0.11 0.00 -1.51 0.00 0.00 72.50 70.73 1vle s THR 52 CO 0.02 0.00 1.10 -2.16 -2.21 0.00 0.00 174.62 171.37 1vle s PRO 53 N 0.15 1.53 0.41 7.08 0.04 -1.26 -5.02 135.00 137.93 1vle s PRO 53 Ca -0.01 0.73 -0.25 0.00 0.04 0.00 0.00 61.00 61.52 1vle s PRO 53 Cb -0.02 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 1vle s PRO 53 CO -0.00 -2.03 1.18 -2.14 0.04 0.00 0.00 177.00 174.06 1vle s PRO 54 N -5.03 3.98 -1.48 0.56 0.02 -1.26 -4.88 135.00 126.92 1vle s PRO 54 Ca 0.63 1.86 -0.10 0.00 0.02 0.00 0.00 61.00 63.41 1vle s PRO 54 Cb -0.17 -2.63 -0.07 0.00 0.02 0.00 0.00 34.50 31.66 1vle s PRO 54 CO 0.56 -0.39 2.72 0.54 -0.33 0.00 0.00 177.00 180.09 1vle n ARG 55 N -0.04 3.29 -3.54 5.54 5.12 -1.26 -4.77 116.66 121.00 1vle n ARG 55 Ca 0.05 -2.13 -0.08 0.00 -1.93 0.00 0.00 57.85 53.76 1vle n ARG 55 Cb 0.46 -2.81 -0.03 0.00 -1.16 0.00 0.00 32.46 28.92 1vle n ARG 55 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1vle s LYS 56 N 2.57 0.63 0.53 5.56 2.20 -1.26 -2.40 119.74 127.57 1vle s LYS 56 Ca 0.62 -0.16 0.09 0.00 -0.36 0.00 0.00 55.97 56.16 1vle s LYS 56 Cb 0.16 0.29 0.06 0.00 -1.51 0.00 0.00 37.83 36.83 1vle s LYS 56 CO -0.06 -0.26 0.65 0.95 -0.36 0.00 0.00 175.35 176.28 1vle s THR 57 N -2.49 2.25 0.07 3.43 -4.23 -0.28 -5.00 115.64 109.38 1vle s THR 57 Ca 0.05 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1vle s THR 57 Cb -0.01 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 1vle s THR 57 CO -0.06 0.00 -0.04 -0.94 -0.54 0.00 0.00 174.62 173.04 1vle s SER 58 N -4.50 0.74 0.22 3.99 1.04 -1.26 -4.25 113.70 109.67 1vle s SER 58 Ca 0.55 -1.00 0.05 0.00 0.48 0.00 0.00 55.95 56.03 1vle s SER 58 Cb -0.06 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1vle s SER 58 CO 0.34 -0.55 -0.06 0.27 0.98 0.00 0.00 173.24 174.22 1vle s ILE 59 N -3.81 1.35 0.54 -1.02 -4.36 -1.26 -4.46 121.20 108.18 1vle s ILE 59 Ca 0.09 -2.10 -0.04 0.00 -0.26 0.00 0.00 60.65 58.35 1vle s ILE 59 Cb 0.07 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.58 1vle s ILE 59 CO -0.08 -0.46 0.82 0.00 0.24 0.00 0.00 174.94 175.46 1vle s ALA 60 N -3.21 3.48 0.17 2.27 0.00 -0.48 -4.41 121.76 119.57 1vle s ALA 60 Ca 0.25 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.23 1vle s ALA 60 Cb 0.03 -2.43 0.13 0.00 0.00 0.00 0.00 23.12 20.85 1vle s ALA 60 CO 0.07 -0.65 1.72 -1.35 0.00 0.00 0.00 175.76 175.56 1vle h PRO 61 N 0.04 0.21 0.00 0.00 0.11 -1.92 -1.21 132.00 129.22 1vle h PRO 61 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1vle h PRO 61 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1vle h PRO 61 CO 0.59 0.14 0.00 0.10 -0.21 0.00 0.00 178.00 178.62 1vle h TYR 62 N 0.21 0.00 0.07 0.65 -0.00 -1.90 -1.82 116.97 114.18 1vle h TYR 62 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 58.73 58.60 1vle h TYR 62 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.96 1vle h TYR 62 CO -0.21 0.00 -1.93 2.41 -0.00 0.00 0.00 178.16 178.43 1vle n THR 63 N -2.75 1.70 0.01 -0.90 -1.04 -0.69 -2.75 114.28 107.86 1vle n THR 63 Ca -0.01 -0.71 0.16 0.00 -2.04 0.00 0.00 64.05 61.45 1vle n THR 63 Cb 0.12 -1.44 0.63 0.00 -1.82 0.00 0.00 70.33 67.82 1vle n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vle h ALA 64 N 0.42 2.30 -0.19 2.41 0.00 -0.40 -1.29 119.26 122.50 1vle h ALA 64 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1vle h ALA 64 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1vle h ALA 64 CO 0.08 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.30 1vle n GLY 65 N -1.59 3.78 0.37 0.00 0.00 -1.01 -4.74 105.19 102.00 1vle n GLY 65 Ca 0.08 -0.77 0.20 0.00 0.00 0.00 0.00 46.02 45.53 1vle n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1vle h PHE 66 N 1.24 0.00 -0.64 1.61 3.57 -1.04 -1.89 116.94 119.80 1vle h PHE 66 Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1vle h PHE 66 Cb 1.06 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 1vle h PHE 66 CO 0.26 0.00 0.42 -0.22 -2.23 0.00 0.00 178.31 176.55 1vle h LYS 67 N 0.00 0.53 0.00 1.11 3.64 -1.85 0.14 116.57 120.13 1vle h LYS 67 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1vle h LYS 67 Cb 0.92 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1vle h LYS 67 CO -0.00 0.35 0.00 -1.13 -2.27 0.00 0.00 179.45 176.40 1vle n SER 68 N -4.48 0.05 -0.04 4.20 3.41 -0.71 -1.95 113.62 114.10 1vle n SER 68 Ca 0.10 0.51 -0.08 0.00 -0.26 0.00 0.00 58.87 59.14 1vle n SER 68 Cb 0.31 -0.52 -0.14 0.00 -0.26 0.00 0.00 64.21 63.59 1vle n SER 68 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1vle n MET 69 N -1.55 0.64 -0.01 4.33 2.81 0.46 -3.00 117.12 120.81 1vle n MET 69 Ca 0.04 0.22 -0.13 0.00 -1.81 0.00 0.00 57.70 56.02 1vle n MET 69 Cb 0.18 -1.73 -0.10 0.00 -0.71 0.00 0.00 33.22 30.86 1vle n MET 69 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1vle h ILE 70 N 0.00 1.38 -0.48 2.02 2.04 -1.08 -3.17 117.51 118.22 1vle h ILE 70 Ca -0.34 -1.19 -0.14 0.00 1.00 0.00 0.00 64.86 64.19 1vle h ILE 70 Cb 2.04 2.19 -0.08 0.00 -0.74 0.00 0.00 36.82 40.23 1vle h ILE 70 CO 0.07 0.31 0.18 -1.22 0.00 0.00 0.00 178.15 177.48 1vle n TYR 71 N -4.85 1.60 -1.86 1.37 4.01 -0.91 -4.94 117.16 111.58 1vle n TYR 71 Ca -0.09 -0.84 -0.41 0.00 -0.16 0.00 0.00 57.90 56.40 1vle n TYR 71 Cb 0.26 -0.51 -0.01 0.00 -0.31 0.00 0.00 39.34 38.77 1vle n TYR 71 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1vle s SER 72 N -0.48 6.45 0.00 7.72 0.15 -1.16 -4.89 113.70 121.49 1vle s SER 72 Ca 0.35 2.91 0.30 0.00 0.70 0.00 0.00 55.95 60.21 1vle s SER 72 Cb 0.28 -2.65 1.74 0.00 -1.71 0.00 0.00 66.02 63.69 1vle s SER 72 CO 0.09 -0.83 2.10 -0.90 1.20 0.00 0.00 173.24 174.90 1vle n ASP 73 N 1.50 0.00 -1.16 5.45 5.68 -1.26 -1.93 116.55 124.82 1vle n ASP 73 Ca 0.05 -0.86 0.10 0.00 -0.50 0.00 0.00 54.79 53.59 1vle n ASP 73 Cb 0.39 -0.03 0.27 0.00 -1.14 0.00 0.00 41.12 40.61 1vle n ASP 73 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1vle n LEU 74 N -1.03 3.64 -4.77 -2.12 4.77 -1.26 -4.94 117.00 111.29 1vle n LEU 74 Ca 0.22 -1.90 -0.40 0.00 -0.03 0.00 0.00 56.01 53.90 1vle n LEU 74 Cb 0.11 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1vle n LEU 74 CO 0.17 0.89 0.95 -0.60 -1.33 0.00 0.00 177.39 177.47 1vle s ARG 75 N -1.08 4.11 -0.26 3.23 6.06 -0.81 -0.39 118.95 129.81 1vle s ARG 75 Ca 0.42 2.13 -0.29 0.00 -2.50 0.00 0.00 55.73 55.48 1vle s ARG 75 Cb 0.22 -2.85 -0.02 0.00 0.06 0.00 0.00 34.95 32.36 1vle s ARG 75 CO 0.29 -0.36 1.54 0.42 -2.50 0.00 0.00 175.30 174.69 1vle s ILE 76 N -1.24 3.80 0.18 4.11 1.01 -0.29 -4.70 121.20 124.06 1vle s ILE 76 Ca 0.54 0.89 -0.13 0.00 0.00 0.00 0.00 60.65 61.94 1vle s ILE 76 Cb -0.38 -3.84 0.07 0.00 0.01 0.00 0.00 42.46 38.33 1vle s ILE 76 CO 0.49 -0.38 1.81 -0.65 0.00 0.00 0.00 174.94 176.21 1vle h PRO 77 N 10.55 0.57 -2.26 2.79 0.11 -1.91 -3.43 132.00 138.42 1vle h PRO 77 Ca -0.31 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 65.98 1vle h PRO 77 Cb 1.14 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 1vle h PRO 77 CO 1.02 0.38 0.66 1.52 -0.21 0.00 0.00 178.00 181.36 1vle s TYR 78 N -6.14 0.01 0.33 0.65 -0.85 -1.26 -1.33 117.35 108.76 1vle s TYR 78 Ca -0.13 -0.30 -0.29 0.00 -0.52 0.00 0.00 57.07 55.84 1vle s TYR 78 Cb 0.13 0.64 -0.12 0.00 0.38 0.00 0.00 41.96 42.99 1vle s TYR 78 CO 0.74 -0.69 1.37 -2.30 -1.52 0.00 0.00 175.55 173.15 1vle n PRO 79 N -0.66 2.28 -4.26 -3.49 -0.02 -1.25 -4.63 135.00 122.97 1vle n PRO 79 Ca -0.03 0.80 -0.20 0.00 -2.02 0.00 0.00 63.50 62.05 1vle n PRO 79 Cb 0.60 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.53 1vle n PRO 79 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1vle s MET 80 N -1.66 1.07 -0.01 -0.52 -1.94 -0.19 -2.02 119.30 114.04 1vle s MET 80 Ca 0.57 -1.22 0.02 0.00 -1.71 0.00 0.00 55.69 53.35 1vle s MET 80 Cb -0.55 -1.07 -0.00 0.00 2.01 0.00 0.00 34.83 35.22 1vle s MET 80 CO 0.60 0.22 -0.07 0.21 -0.01 0.00 0.00 175.02 175.97 1vle s LYS 81 N -2.45 0.61 -0.19 2.03 2.20 0.01 -0.58 119.74 121.37 1vle s LYS 81 Ca 0.08 -0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.16 1vle s LYS 81 Cb -0.07 -0.59 -0.02 0.00 -1.51 0.00 0.00 37.83 35.64 1vle s LYS 81 CO 0.04 0.13 1.43 0.50 -0.36 0.00 0.00 175.35 177.08 1vle s ARG 82 N -0.05 4.05 0.25 4.03 3.52 -0.29 -0.82 118.95 129.64 1vle s ARG 82 Ca 0.01 1.67 -0.04 0.00 -0.13 0.00 0.00 55.73 57.24 1vle s ARG 82 Cb -0.04 -3.89 0.48 0.00 -1.56 0.00 0.00 34.95 29.93 1vle s ARG 82 CO -0.00 -0.96 1.71 0.87 -0.81 0.00 0.00 175.30 176.10 1vle h LYS 83 N 9.28 0.34 0.00 5.12 1.57 -1.45 -0.46 116.57 130.97 1vle h LYS 83 Ca -0.30 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1vle h LYS 83 Cb 1.13 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1vle h LYS 83 CO 0.99 0.23 0.00 -1.13 -0.57 0.00 0.00 179.45 178.97 1vle n SER 84 N -5.08 0.00 -4.49 0.86 3.41 -1.26 -4.71 113.62 102.36 1vle n SER 84 Ca 0.15 -1.08 -0.39 0.00 -0.26 0.00 0.00 58.87 57.28 1vle n SER 84 Cb 0.45 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.29 1vle n SER 84 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1vle s PHE 85 N -2.00 3.19 -0.29 7.33 5.36 -0.18 -4.18 117.98 127.22 1vle s PHE 85 Ca 0.21 -0.37 0.03 0.00 -0.96 0.00 0.00 56.93 55.85 1vle s PHE 85 Cb 0.10 -2.39 0.08 0.00 -0.34 0.00 0.00 43.02 40.46 1vle s PHE 85 CO 0.17 -0.39 -0.04 0.34 -1.46 0.00 0.00 175.22 173.84 1vle s ASP 86 N 1.67 4.51 0.28 6.13 -1.08 -0.41 -4.87 116.67 122.89 1vle s ASP 86 Ca 0.05 -1.66 0.02 0.00 -0.52 0.00 0.00 52.55 50.44 1vle s ASP 86 Cb -0.17 -1.53 0.65 0.00 -1.46 0.00 0.00 42.92 40.41 1vle s ASP 86 CO 0.08 -0.27 1.73 -0.65 0.52 0.00 0.00 175.17 176.58 1vle h PRO 87 N 7.73 0.50 -0.77 4.34 0.11 -1.97 -1.52 132.00 140.43 1vle h PRO 87 Ca -0.13 -0.03 -0.32 0.00 0.11 0.00 0.00 66.00 65.63 1vle h PRO 87 Cb 1.03 -0.11 -0.19 0.00 0.11 0.00 0.00 31.00 31.84 1vle h PRO 87 CO 0.48 0.33 0.36 0.09 -0.21 0.00 0.00 178.00 179.05 1vle n ASN 88 N -4.95 4.09 0.00 -2.05 4.13 -1.26 -4.94 115.26 110.27 1vle n ASN 88 Ca 0.20 -3.43 0.00 0.00 1.68 0.00 0.00 54.58 53.03 1vle n ASN 88 Cb 0.56 -0.76 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 1vle n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vle n GLY 89 N -0.68 3.40 3.67 7.41 0.00 -0.57 -5.11 105.19 113.32 1vle n GLY 89 Ca 0.46 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 1vle n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vle s GLU 90 N 4.26 4.27 0.18 1.61 0.41 -1.25 -4.82 118.70 123.36 1vle s GLU 90 Ca 0.00 1.64 0.23 0.00 -0.41 0.00 0.00 54.97 56.43 1vle s GLU 90 Cb 0.00 -3.69 0.08 0.00 -1.78 0.00 0.00 34.13 28.74 1vle s GLU 90 CO 0.00 -0.62 1.11 0.00 -0.49 0.00 0.00 175.26 175.27 1vle h ARG 91 N 7.91 0.00 -6.73 1.61 3.08 -1.82 -1.08 114.38 117.35 1vle h ARG 91 Ca -0.28 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.22 1vle h ARG 91 Cb 1.12 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.18 1vle h ARG 91 CO 0.94 0.00 -0.99 0.09 -1.07 0.00 0.00 179.97 178.94 1vle n ASN 92 N -2.52 -4.53 -0.25 7.04 3.02 -1.26 -4.35 115.26 112.41 1vle n ASN 92 Ca 0.01 -1.20 0.08 0.00 -0.03 0.00 0.00 54.58 53.44 1vle n ASN 92 Cb 0.52 -2.15 0.33 0.00 -0.61 0.00 0.00 39.78 37.87 1vle n ASN 92 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1vle h PRO 93 N -2.33 0.78 0.00 3.52 0.11 -1.90 -0.50 132.00 131.68 1vle h PRO 93 Ca -0.69 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.37 1vle h PRO 93 Cb 1.39 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1vle h PRO 93 CO 0.50 0.52 0.00 0.00 -0.21 0.00 0.00 178.00 178.80 1vle n GLN 94 N -4.52 0.04 -0.27 1.05 0.00 -1.25 -1.77 117.38 110.65 1vle n GLN 94 Ca 0.14 0.32 0.10 0.00 0.00 0.00 0.00 57.00 57.56 1vle n GLN 94 Cb 0.32 -1.50 0.25 0.00 0.00 0.00 0.00 30.24 29.31 1vle n GLN 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1vle n LEU 95 N -1.37 3.53 -4.68 2.61 4.77 -0.20 -4.86 117.00 116.80 1vle n LEU 95 Ca 0.02 -1.84 -0.42 0.00 -0.03 0.00 0.00 56.01 53.74 1vle n LEU 95 Cb 0.04 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1vle n LEU 95 CO 0.04 0.85 1.09 -0.13 -1.33 0.00 0.00 177.39 177.91 1vle s ARG 96 N -1.11 4.28 0.00 3.23 0.52 -0.73 -2.14 118.95 122.99 1vle s ARG 96 Ca 0.39 1.84 0.00 0.00 -0.52 0.00 0.00 55.73 57.44 1vle s ARG 96 Cb 0.21 -3.66 0.00 0.00 0.52 0.00 0.00 34.95 32.02 1vle s ARG 96 CO 0.28 -0.60 0.00 0.41 0.02 0.00 0.00 175.30 175.41 1vle n GLY 97 N 3.61 0.65 0.28 -3.53 0.00 -1.22 -4.73 105.19 100.25 1vle n GLY 97 Ca 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1vle n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vle h ALA 98 N 0.00 1.44 -0.00 4.61 0.00 -1.72 -1.63 119.26 121.95 1vle h ALA 98 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1vle h ALA 98 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1vle h ALA 98 CO 0.00 0.41 0.00 0.78 0.00 0.00 0.00 179.25 180.44 1vle h GLY 99 N 0.78 0.01 0.75 0.00 0.00 -1.83 -2.54 103.07 100.23 1vle h GLY 99 Ca 0.12 -0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.49 1vle h GLY 99 CO 0.00 0.00 0.40 1.41 0.00 0.00 0.00 176.54 178.35 1vle h LEU 100 N -0.05 0.61 -2.73 3.11 -0.00 -1.66 0.22 115.31 114.81 1vle h LEU 100 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1vle h LEU 100 Cb 0.05 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1vle h LEU 100 CO -0.00 0.40 0.06 0.28 -0.00 0.00 0.00 178.44 179.18 1vle h SER 101 N 0.74 0.00 -0.11 -0.43 0.02 -1.00 0.79 113.55 113.57 1vle h SER 101 Ca 0.29 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 1vle h SER 101 Cb 0.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1vle h SER 101 CO -0.16 0.00 -0.17 2.29 -1.14 0.00 0.00 176.83 177.65 1vle n LYS 102 N -3.22 1.73 -3.41 3.45 2.85 -0.41 -4.17 118.16 114.99 1vle n LYS 102 Ca -0.03 -2.97 -0.24 0.00 -1.05 0.00 0.00 58.31 54.03 1vle n LYS 102 Cb 0.13 -1.65 -0.00 0.00 -0.65 0.00 0.00 35.03 32.86 1vle n LYS 102 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1vle n GLN 103 N -1.14 -3.55 -3.10 -1.58 3.00 0.27 -4.89 117.38 106.39 1vle n GLN 103 Ca 0.21 0.50 -0.20 0.00 -0.01 0.00 0.00 57.00 57.50 1vle n GLN 103 Cb 0.77 -5.22 -0.04 0.00 0.00 0.00 0.00 30.24 25.75 1vle n GLN 103 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1vle n ASP 104 N -2.34 -0.84 -0.12 1.08 -0.08 0.65 -4.99 116.55 109.92 1vle n ASP 104 Ca -0.01 -2.79 -0.05 0.00 -1.51 0.00 0.00 54.79 50.43 1vle n ASP 104 Cb 0.54 0.06 0.03 0.00 2.34 0.00 0.00 41.12 44.09 1vle n ASP 104 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1vle h PRO 105 N 4.33 0.20 -0.03 -0.67 0.11 -1.90 -3.00 132.00 131.04 1vle h PRO 105 Ca 0.05 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 1vle h PRO 105 Cb 0.93 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1vle h PRO 105 CO 0.39 0.13 -0.23 -1.49 -0.21 0.00 0.00 178.00 176.59 1vle h TRP 106 N 0.21 0.05 0.00 0.65 4.06 -1.95 -2.88 115.95 116.08 1vle h TRP 106 Ca 0.19 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.13 1vle h TRP 106 Cb 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 1vle h TRP 106 CO -0.20 0.28 0.01 0.66 -3.56 0.00 0.00 178.44 175.63 1vle h SER 107 N 0.04 0.00 1.54 -3.49 4.64 -1.92 -1.29 113.55 113.07 1vle h SER 107 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1vle h SER 107 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1vle h SER 107 CO 0.03 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.43 1vle h ASP 108 N 0.00 0.00 -2.65 4.97 3.32 -1.66 -3.47 116.42 116.93 1vle h ASP 108 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 1vle h ASP 108 Cb 0.01 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.43 1vle h ASP 108 CO 0.00 0.00 -0.72 -0.31 -1.72 0.00 0.00 179.24 176.49 1vle s TYR 109 N -3.28 2.53 0.10 4.55 1.51 -0.49 -1.10 117.35 121.17 1vle s TYR 109 Ca 0.06 -0.26 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 1vle s TYR 109 Cb 0.08 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.72 1vle s TYR 109 CO 0.60 0.58 -0.13 -1.83 -1.11 0.00 0.00 175.55 173.66 1vle s GLU 110 N -3.18 0.92 0.34 -0.62 -1.05 0.00 -4.87 118.70 110.24 1vle s GLU 110 Ca 0.27 -1.14 -0.26 0.00 -0.15 0.00 0.00 54.97 53.70 1vle s GLU 110 Cb -0.07 -0.78 -0.10 0.00 -0.44 0.00 0.00 34.13 32.74 1vle s GLU 110 CO 0.16 0.15 0.96 0.50 0.95 0.00 0.00 175.26 177.98 1vle s ARG 111 N -2.45 4.51 0.09 -4.83 3.52 -1.26 -0.81 118.95 117.72 1vle s ARG 111 Ca 0.05 1.36 -0.07 0.00 -0.13 0.00 0.00 55.73 56.94 1vle s ARG 111 Cb -0.06 -2.74 -0.01 0.00 -1.56 0.00 0.00 34.95 30.58 1vle s ARG 111 CO 0.02 0.20 0.15 0.96 -0.81 0.00 0.00 175.30 175.82 1vle s ILE 112 N -1.64 0.15 0.72 4.11 -4.36 -0.85 -4.87 121.20 114.45 1vle s ILE 112 Ca 0.52 -1.36 -0.11 0.00 -0.26 0.00 0.00 60.65 59.44 1vle s ILE 112 Cb -0.19 -1.46 0.02 0.00 1.25 0.00 0.00 42.46 42.08 1vle s ILE 112 CO 0.24 -0.67 1.07 -0.94 0.24 0.00 0.00 174.94 174.88 1vle s SER 113 N -2.89 5.19 0.19 4.36 1.04 -1.26 -3.96 113.70 116.37 1vle s SER 113 Ca 0.08 1.47 -0.12 0.00 0.48 0.00 0.00 55.95 57.86 1vle s SER 113 Cb 0.05 -2.32 0.10 0.00 0.10 0.00 0.00 66.02 63.96 1vle s SER 113 CO -0.09 -1.54 1.82 -0.50 0.98 0.00 0.00 173.24 173.90 1vle h TRP 114 N -0.79 0.86 -0.26 5.02 4.06 -1.97 -1.45 115.95 121.42 1vle h TRP 114 Ca -0.45 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 60.53 1vle h TRP 114 Cb 1.23 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 29.07 1vle h TRP 114 CO 0.57 0.60 0.03 0.22 -3.56 0.00 0.00 178.44 176.29 1vle h ASP 115 N 0.87 -0.04 0.04 -3.49 3.58 -1.99 -0.69 116.42 114.71 1vle h ASP 115 Ca 0.23 0.05 -0.17 0.00 0.42 0.00 0.00 57.03 57.56 1vle h ASP 115 Cb 0.00 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1vle h ASP 115 CO -0.04 0.01 -0.57 -0.08 -2.88 0.00 0.00 179.24 175.68 1vle h GLU 116 N 0.11 0.55 -0.05 0.28 4.81 -1.91 -1.37 114.58 117.01 1vle h GLU 116 Ca 0.12 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1vle h GLU 116 Cb 0.14 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1vle h GLU 116 CO -0.18 0.97 0.03 0.00 -0.73 0.00 0.00 179.01 179.10 1vle h ALA 117 N 0.95 0.06 -0.04 2.92 0.00 -0.99 -1.31 119.26 120.86 1vle h ALA 117 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1vle h ALA 117 Cb 1.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1vle h ALA 117 CO 0.11 -0.40 -0.41 1.79 0.00 0.00 0.00 179.25 180.33 1vle h THR 118 N 0.01 1.30 -0.52 0.00 1.35 -1.13 -2.14 112.91 111.77 1vle h THR 118 Ca 0.02 -1.45 -0.10 0.00 -0.55 0.00 0.00 66.41 64.33 1vle h THR 118 Cb 0.06 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 1vle h THR 118 CO -0.00 0.42 -0.06 0.44 -0.25 0.00 0.00 175.52 176.07 1vle h ASP 119 N 0.07 0.92 -0.28 5.36 3.32 -0.93 -0.65 116.42 124.23 1vle h ASP 119 Ca 0.00 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 1vle h ASP 119 Cb 0.76 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1vle h ASP 119 CO 0.06 1.01 -0.11 0.40 -1.72 0.00 0.00 179.24 178.88 1vle h ILE 120 N 0.85 1.29 -0.35 0.35 2.04 -0.96 -1.78 117.51 118.95 1vle h ILE 120 Ca 0.15 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 1vle h ILE 120 Cb 0.58 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1vle h ILE 120 CO 0.04 0.37 0.10 0.58 0.00 0.00 0.00 178.15 179.24 1vle h VAL 121 N 0.31 1.22 -0.66 1.67 2.07 -1.29 -2.30 116.25 117.26 1vle h VAL 121 Ca 0.06 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1vle h VAL 121 Cb 0.62 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1vle h VAL 121 CO 0.04 0.24 0.40 0.58 0.02 0.00 0.00 177.57 178.85 1vle h VAL 122 N 0.42 1.04 -0.94 2.57 2.07 -1.09 0.51 116.25 120.83 1vle h VAL 122 Ca 0.11 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1vle h VAL 122 Cb 0.27 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1vle h VAL 122 CO -0.00 0.14 0.59 0.00 0.02 0.00 0.00 177.57 178.32 1vle h ALA 123 N 1.31 1.20 -0.52 1.67 0.00 -1.13 -0.03 119.26 121.76 1vle h ALA 123 Ca 0.28 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1vle h ALA 123 Cb 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1vle h ALA 123 CO -0.14 0.63 -0.15 0.93 0.00 0.00 0.00 179.25 180.52 1vle h GLU 124 N 1.29 1.01 -0.03 0.00 4.39 -0.78 -1.58 114.58 118.88 1vle h GLU 124 Ca 0.34 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1vle h GLU 124 Cb -0.10 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1vle h GLU 124 CO -0.07 1.08 0.01 0.82 -1.16 0.00 0.00 179.01 179.69 1vle h ILE 125 N 0.88 1.16 -0.39 3.13 2.04 -0.28 -2.07 117.51 121.98 1vle h ILE 125 Ca 0.13 -0.47 -0.12 0.00 1.00 0.00 0.00 64.86 65.39 1vle h ILE 125 Cb 0.72 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1vle h ILE 125 CO 0.06 0.13 -0.25 0.78 0.00 0.00 0.00 178.15 178.86 1vle h ASN 126 N -0.14 0.84 -0.16 1.72 2.35 -1.01 -1.15 115.58 118.02 1vle h ASN 126 Ca 0.01 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1vle h ASN 126 Cb 0.20 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1vle h ASN 126 CO -0.00 1.05 0.05 -0.09 -1.65 0.00 0.00 177.43 176.79 1vle h ARG 127 N 0.70 0.25 -0.61 0.81 2.43 -1.29 -2.31 114.38 114.36 1vle h ARG 127 Ca 0.09 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1vle h ARG 127 Cb 0.78 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 1vle h ARG 127 CO 0.06 0.36 0.10 0.82 -1.51 0.00 0.00 179.97 179.80 1vle h ILE 128 N 0.09 1.25 -0.46 1.20 2.04 -1.32 -1.65 117.51 118.65 1vle h ILE 128 Ca 0.05 -0.98 -0.13 0.00 1.00 0.00 0.00 64.86 64.80 1vle h ILE 128 Cb 0.21 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1vle h ILE 128 CO -0.00 0.36 -0.23 0.11 0.00 0.00 0.00 178.15 178.39 1vle h LYS 129 N 0.94 0.96 0.00 2.37 1.57 -1.15 0.59 116.57 121.85 1vle h LYS 129 Ca 0.19 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1vle h LYS 129 Cb 0.40 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1vle h LYS 129 CO 0.01 1.09 0.00 0.45 -0.57 0.00 0.00 179.45 180.42 1vle h HIS 130 N 0.83 0.00 0.00 -1.35 3.86 -1.33 -1.13 115.15 116.03 1vle h HIS 130 Ca 0.10 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.97 1vle h HIS 130 Cb 0.80 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.21 1vle h HIS 130 CO 0.05 0.00 -2.31 0.00 0.86 0.00 0.00 177.93 176.53 1vle n ALA 131 N -1.90 1.51 0.00 2.45 0.00 -0.63 -4.80 120.51 117.14 1vle n ALA 131 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1vle n ALA 131 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1vle n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vle n TYR 132 N -3.10 0.00 0.00 0.00 4.01 0.19 -5.07 117.16 113.19 1vle n TYR 132 Ca -0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 1vle n TYR 132 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 1vle n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vle n GLY 133 N 2.20 2.13 0.37 2.72 0.00 -0.43 -4.58 105.19 107.60 1vle n GLY 133 Ca 0.00 -1.92 0.18 0.00 0.00 0.00 0.00 46.02 44.28 1vle n GLY 133 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1vle h PRO 134 N 0.00 0.54 -0.03 1.61 0.11 -1.85 -1.31 132.00 131.08 1vle h PRO 134 Ca 0.00 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.09 1vle h PRO 134 Cb 0.00 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 1vle h PRO 134 CO 0.00 0.36 0.08 0.66 -0.21 0.00 0.00 178.00 178.89 1vle h SER 135 N 0.56 0.00 0.46 -2.05 4.64 -1.85 -0.29 113.55 115.03 1vle h SER 135 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 1vle h SER 135 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1vle h SER 135 CO -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.57 1vle n ALA 136 N -2.16 2.14 -3.22 5.18 0.00 -0.49 -4.24 120.51 117.71 1vle n ALA 136 Ca -0.02 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 1vle n ALA 136 Cb 0.15 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 1vle n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vle s ILE 137 N -2.63 4.83 0.43 0.00 1.01 -0.12 -0.34 121.20 124.38 1vle s ILE 137 Ca 0.20 -1.41 -0.13 0.00 0.00 0.00 0.00 60.65 59.31 1vle s ILE 137 Cb 0.15 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.53 1vle s ILE 137 CO 0.35 -0.69 0.84 -0.22 0.00 0.00 0.00 174.94 175.21 1vle s LEU 138 N 1.53 3.79 -0.16 2.97 2.96 0.19 -0.51 118.68 129.46 1vle s LEU 138 Ca 0.04 1.29 -0.30 0.00 -0.22 0.00 0.00 54.13 54.94 1vle s LEU 138 Cb -0.26 -4.18 0.12 0.00 0.50 0.00 0.00 46.19 42.37 1vle s LEU 138 CO 0.03 -0.44 0.97 -0.55 -1.32 0.00 0.00 176.35 175.05 1vle s SER 139 N -3.02 -0.40 -0.29 3.68 0.15 -0.65 -0.54 113.70 112.63 1vle s SER 139 Ca 0.54 0.46 -0.24 0.00 0.70 0.00 0.00 55.95 57.41 1vle s SER 139 Cb -0.10 0.36 0.16 0.00 -1.71 0.00 0.00 66.02 64.73 1vle s SER 139 CO 0.29 -0.35 1.24 0.28 1.20 0.00 0.00 173.24 175.91 1vle s THR 140 N -1.03 0.00 0.00 6.45 -1.32 -1.17 -2.39 115.64 116.19 1vle s THR 140 Ca -0.02 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1vle s THR 140 Cb -0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1vle s THR 140 CO 0.02 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.62 1vle n PRO 141 N 2.02 1.41 -4.02 7.08 -0.04 -1.26 -2.36 135.00 137.84 1vle n PRO 141 Ca -0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 1vle n PRO 141 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1vle n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vle s SER 142 N -1.00 0.54 0.23 3.54 0.15 -1.26 -4.82 113.70 111.08 1vle s SER 142 Ca 0.00 -1.31 -0.12 0.00 0.70 0.00 0.00 55.95 55.22 1vle s SER 142 Cb 0.00 0.69 0.29 0.00 -1.71 0.00 0.00 66.02 65.29 1vle s SER 142 CO 0.00 -1.35 1.60 0.28 1.20 0.00 0.00 173.24 174.98 1vle h SER 143 N 2.12 -0.72 -1.85 5.45 0.02 -1.98 -3.43 113.55 113.15 1vle h SER 143 Ca -0.29 0.22 -0.53 0.00 -0.84 0.00 0.00 61.79 60.36 1vle h SER 143 Cb 1.24 0.47 -0.06 0.00 0.14 0.00 0.00 62.40 64.19 1vle h SER 143 CO 0.38 -0.25 -0.50 -1.00 -1.14 0.00 0.00 176.83 174.33 1vle s HIS 144 N -6.23 2.78 0.20 3.45 3.76 -1.26 -5.10 115.29 112.89 1vle s HIS 144 Ca -0.14 -0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 54.26 1vle s HIS 144 Cb 0.21 -1.72 0.01 0.00 1.11 0.00 0.00 32.58 32.20 1vle s HIS 144 CO 0.75 0.27 0.45 -1.58 -0.85 0.00 0.00 174.74 173.77 1vle s HIS 145 N -2.39 0.11 0.32 1.40 2.46 -1.26 -5.07 115.29 110.86 1vle s HIS 145 Ca 0.39 -0.46 -0.29 0.00 0.47 0.00 0.00 55.06 55.17 1vle s HIS 145 Cb -0.04 0.24 -0.11 0.00 -0.13 0.00 0.00 32.58 32.54 1vle s HIS 145 CO 0.24 -0.88 1.54 -1.64 -2.47 0.00 0.00 174.74 171.53 1vle s MET 146 N -3.92 4.13 0.48 2.88 -1.94 -1.26 -4.85 119.30 114.83 1vle s MET 146 Ca 0.14 2.55 -0.24 0.00 -1.71 0.00 0.00 55.69 56.42 1vle s MET 146 Cb 0.00 -3.01 -0.07 0.00 2.01 0.00 0.00 34.83 33.76 1vle s MET 146 CO 0.00 -0.57 1.40 1.87 -0.01 0.00 0.00 175.02 177.71 1vle n TRP 147 N 1.57 2.55 0.00 -0.03 -0.00 -1.26 -4.76 117.44 115.51 1vle n TRP 147 Ca 0.05 0.44 0.00 0.00 -0.00 0.00 0.00 57.50 57.99 1vle n TRP 147 Cb 0.38 -2.43 0.00 0.00 -0.00 0.00 0.00 31.31 29.27 1vle n TRP 147 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1vle n GLY 148 N 0.64 3.40 0.22 5.87 0.00 -1.26 -4.74 105.19 109.33 1vle n GLY 148 Ca 0.07 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 1vle n GLY 148 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1vle h ASN 149 N 0.00 0.69 -0.30 1.61 4.21 -1.54 -1.81 115.58 118.44 1vle h ASN 149 Ca 0.00 -0.32 -0.14 0.00 1.21 0.00 0.00 56.30 57.05 1vle h ASN 149 Cb 0.00 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.00 1vle h ASN 149 CO 0.00 0.84 -0.33 0.58 -1.29 0.00 0.00 177.43 177.22 1vle h VAL 150 N 0.52 1.28 -0.05 2.81 2.07 -1.95 -3.14 116.25 117.80 1vle h VAL 150 Ca 0.11 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1vle h VAL 150 Cb 0.49 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1vle h VAL 150 CO 0.02 0.50 0.00 0.61 0.02 0.00 0.00 177.57 178.72 1vle n GLY 151 N -0.01 0.16 3.74 2.17 0.00 -1.23 -3.08 105.19 106.95 1vle n GLY 151 Ca -0.01 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1vle n GLY 151 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vle s TYR 152 N -1.96 2.29 0.51 1.61 5.04 -0.68 -4.52 117.35 119.64 1vle s TYR 152 Ca 0.36 1.55 0.27 0.00 -2.44 0.00 0.00 57.07 56.81 1vle s TYR 152 Cb 0.20 -3.44 1.37 0.00 0.35 0.00 0.00 41.96 40.44 1vle s TYR 152 CO 0.32 -2.30 1.91 0.07 -1.34 0.00 0.00 175.55 174.21 1vle h ARG 153 N 0.36 0.09 0.00 4.97 0.11 -1.91 0.23 114.38 118.23 1vle h ARG 153 Ca -0.49 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1vle h ARG 153 Cb 1.29 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1vle h ARG 153 CO 0.53 0.06 0.00 0.45 0.10 0.00 0.00 179.97 181.11 1vle h HIS 154 N 0.09 0.00 0.00 4.08 3.86 -1.90 -2.52 115.15 118.76 1vle h HIS 154 Ca 0.39 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 1vle h HIS 154 Cb 1.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.88 1vle h HIS 154 CO -0.00 0.00 0.00 0.45 0.86 0.00 0.00 177.93 179.24 1vle n SER 155 N -2.74 0.00 0.05 2.45 2.88 0.74 -4.51 113.62 112.49 1vle n SER 155 Ca 0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.44 1vle n SER 155 Cb 0.34 -0.22 -0.09 0.00 -0.75 0.00 0.00 64.21 63.49 1vle n SER 155 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1vle h THR 156 N 0.00 1.07 0.13 2.46 2.02 -1.27 -2.09 112.91 115.23 1vle h THR 156 Ca 0.00 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.30 1vle h THR 156 Cb 0.00 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 1vle h THR 156 CO 0.00 0.21 -0.47 0.22 0.37 0.00 0.00 175.52 175.85 1vle h TYR 157 N -0.59 -1.34 -0.69 3.16 3.20 -1.68 -2.44 116.97 116.59 1vle h TYR 157 Ca -0.02 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1vle h TYR 157 Cb 0.47 0.57 -0.04 0.00 1.54 0.00 0.00 36.73 39.26 1vle h TYR 157 CO 0.06 -0.56 0.43 0.74 -1.64 0.00 0.00 178.16 177.19 1vle h PHE 158 N -0.71 0.81 -0.40 -3.82 0.05 -1.56 -0.73 116.94 110.58 1vle h PHE 158 Ca 0.01 0.02 0.07 0.00 3.82 0.00 0.00 57.97 61.89 1vle h PHE 158 Cb 0.73 -0.26 -0.06 0.00 2.00 0.00 0.00 35.95 38.35 1vle h PHE 158 CO -0.40 0.46 0.04 -0.09 -0.18 0.00 0.00 178.31 178.14 1vle h ARG 159 N 0.85 0.15 0.43 1.51 2.43 -1.08 -0.00 114.38 118.66 1vle h ARG 159 Ca 0.28 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1vle h ARG 159 Cb 0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1vle h ARG 159 CO -0.11 0.10 -0.21 0.35 -1.51 0.00 0.00 179.97 178.60 1vle h PHE 160 N 0.15 -0.53 -0.93 2.20 3.57 -1.22 -3.26 116.94 116.92 1vle h PHE 160 Ca 0.20 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.91 1vle h PHE 160 Cb 0.26 0.18 -0.12 0.00 2.79 0.00 0.00 35.95 39.05 1vle h PHE 160 CO -0.23 -0.33 0.46 0.52 -2.23 0.00 0.00 178.31 176.50 1vle h MET 161 N -1.13 0.45 0.00 1.11 2.86 -1.11 0.43 114.93 117.54 1vle h MET 161 Ca -0.06 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1vle h MET 161 Cb 0.44 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1vle h MET 161 CO 0.10 0.30 -0.03 -0.91 1.06 0.00 0.00 176.91 177.42 1vle h ASN 162 N 0.47 0.00 0.28 1.22 -0.26 -1.09 -0.74 115.58 115.45 1vle h ASN 162 Ca 0.59 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.33 1vle h ASN 162 Cb 1.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.37 1vle h ASN 162 CO -0.51 0.03 -0.54 0.23 -1.06 0.00 0.00 177.43 175.59 1vle n MET 163 N -3.49 0.32 -0.03 0.81 2.81 0.15 -4.63 117.12 113.06 1vle n MET 163 Ca -0.02 -0.22 -0.06 0.00 -1.81 0.00 0.00 57.70 55.59 1vle n MET 163 Cb 0.14 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.13 1vle n MET 163 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1vle n MET 164 N -1.15 0.27 0.00 0.03 0.00 -0.41 -5.10 117.12 110.76 1vle n MET 164 Ca 0.07 0.11 0.00 0.00 -0.00 0.00 0.00 57.70 57.88 1vle n MET 164 Cb 0.35 -0.98 0.00 0.00 0.00 0.00 0.00 33.22 32.59 1vle n MET 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vle n GLY 165 N 2.42 2.46 3.78 -5.12 0.00 -0.45 -4.91 105.19 103.38 1vle n GLY 165 Ca -0.10 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.37 1vle n GLY 165 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1vle s PHE 166 N 4.12 -0.00 -0.27 1.61 -0.12 -1.26 -4.82 117.98 117.24 1vle s PHE 166 Ca 0.00 -0.05 -0.06 0.00 -0.05 0.00 0.00 56.93 56.77 1vle s PHE 166 Cb 0.00 0.52 -0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1vle s PHE 166 CO 0.00 -0.12 0.06 0.99 -0.05 0.00 0.00 175.22 176.09 1vle s THR 167 N -2.09 3.97 0.05 -4.49 2.01 0.33 -4.42 115.64 110.99 1vle s THR 167 Ca 0.22 -0.51 -0.21 0.00 0.31 0.00 0.00 61.69 61.51 1vle s THR 167 Cb 0.03 -2.95 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 1vle s THR 167 CO -0.04 0.21 0.61 -0.47 -0.69 0.00 0.00 174.62 174.25 1vle s TYR 168 N 1.53 3.76 -1.02 4.92 5.04 -1.26 -1.64 117.35 128.69 1vle s TYR 168 Ca 0.04 1.29 -0.16 0.00 -2.44 0.00 0.00 57.07 55.81 1vle s TYR 168 Cb -0.16 -2.59 0.17 0.00 0.35 0.00 0.00 41.96 39.73 1vle s TYR 168 CO 0.02 0.46 1.17 0.00 -1.34 0.00 0.00 175.55 175.86 1vle s ALA 169 N -0.66 3.79 0.31 3.97 0.00 -1.00 -1.89 121.76 126.28 1vle s ALA 169 Ca 0.31 -3.13 -0.29 0.00 0.00 0.00 0.00 51.96 48.85 1vle s ALA 169 Cb -0.19 -3.95 -0.12 0.00 0.00 0.00 0.00 23.12 18.85 1vle s ALA 169 CO 0.19 -2.74 1.50 -3.47 0.00 0.00 0.00 175.76 171.24 1vle n ASP 170 N 5.54 3.52 -4.74 0.00 -0.08 -0.44 -4.36 116.55 115.99 1vle n ASP 170 Ca 0.26 1.17 -0.41 0.00 -1.51 0.00 0.00 54.79 54.31 1vle n ASP 170 Cb 0.46 -1.56 -0.04 0.00 2.34 0.00 0.00 41.12 42.32 1vle n ASP 170 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1vle s HIS 171 N -0.40 3.64 0.53 -0.67 3.76 -1.26 -1.51 115.29 119.38 1vle s HIS 171 Ca 0.61 1.67 -0.18 0.00 -0.15 0.00 0.00 55.06 57.01 1vle s HIS 171 Cb -0.53 -3.24 -0.06 0.00 1.11 0.00 0.00 32.58 29.86 1vle s HIS 171 CO 0.54 -0.44 1.05 0.54 -0.85 0.00 0.00 174.74 175.58 1vle s ASN 172 N -0.44 6.11 -1.05 1.40 4.22 -1.26 -3.62 114.94 120.30 1vle s ASN 172 Ca 0.47 1.89 -0.15 0.00 -2.14 0.00 0.00 52.86 52.93 1vle s ASN 172 Cb -0.29 -2.55 -0.08 0.00 1.28 0.00 0.00 41.25 39.61 1vle s ASN 172 CO 0.36 -0.94 2.15 -0.81 -2.04 0.00 0.00 177.10 175.82 1vle n PRO 173 N -1.41 2.19 -0.26 3.55 -0.04 -1.26 -4.72 135.00 133.05 1vle n PRO 173 Ca 0.09 -1.95 -0.04 0.00 -0.04 0.00 0.00 63.50 61.56 1vle n PRO 173 Cb 0.53 -2.87 0.02 0.00 -0.04 0.00 0.00 33.50 31.13 1vle n PRO 173 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1vle h ASP 174 N 6.76 -1.24 -0.91 3.54 3.04 -1.98 0.14 116.42 125.77 1vle h ASP 174 Ca 0.52 0.25 0.10 0.00 -3.24 0.00 0.00 57.03 54.66 1vle h ASP 174 Cb 0.49 0.63 -0.07 0.00 -1.04 0.00 0.00 39.33 39.34 1vle h ASP 174 CO 1.80 -0.30 0.59 0.28 -2.04 0.00 0.00 179.24 179.56 1vle h SER 175 N -0.11 0.82 0.00 4.15 0.02 -2.00 -3.22 113.55 113.21 1vle h SER 175 Ca 0.27 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1vle h SER 175 Cb 0.56 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1vle h SER 175 CO -0.77 0.48 -0.95 0.79 -1.14 0.00 0.00 176.83 175.24 1vle n TRP 176 N -4.54 0.00 0.00 3.45 8.01 -0.46 -4.50 117.44 119.40 1vle n TRP 176 Ca 0.16 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.35 1vle n TRP 176 Cb 0.31 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.59 1vle n TRP 176 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1vle n GLU 177 N -1.49 0.00 -0.30 -0.99 -0.58 0.37 0.27 120.64 117.92 1vle n GLU 177 Ca 0.03 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.87 1vle n GLU 177 Cb 0.31 0.00 0.26 0.00 -0.57 0.00 0.00 31.44 31.43 1vle n GLU 177 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1vle h GLY 178 N 0.00 1.45 1.50 0.62 0.00 -0.17 0.47 103.07 106.94 1vle h GLY 178 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 46.93 1vle h GLY 178 CO 0.00 -0.11 -0.61 1.49 0.00 0.00 0.00 176.54 177.30 1vle h TRP 179 N 0.56 0.67 0.11 5.60 4.06 -0.42 -1.03 115.95 125.48 1vle h TRP 179 Ca 0.50 -0.25 -0.01 0.00 2.06 0.00 0.00 58.89 61.19 1vle h TRP 179 Cb 0.80 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 1vle h TRP 179 CO -0.10 1.00 -0.05 1.25 -3.56 0.00 0.00 178.44 176.97 1vle h HIS 180 N 0.38 -0.13 0.00 0.49 2.76 -0.07 0.20 115.15 118.78 1vle h HIS 180 Ca -0.01 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1vle h HIS 180 Cb 1.17 0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.17 1vle h HIS 180 CO 0.05 0.37 -0.32 0.91 -1.30 0.00 0.00 177.93 177.64 1vle n TRP 181 N -4.88 0.01 0.05 5.26 7.02 0.05 -4.24 117.44 120.70 1vle n TRP 181 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 1vle n TRP 181 Cb 0.28 -0.35 0.00 0.00 -2.42 0.00 0.00 31.31 28.82 1vle n TRP 181 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vle n GLY 182 N 1.50 -0.05 0.33 6.99 0.00 -0.46 -4.82 105.19 108.67 1vle n GLY 182 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1vle n GLY 182 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vle h GLY 183 N 0.00 0.58 0.66 -0.02 0.00 -1.02 -2.28 103.07 101.00 1vle h GLY 183 Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 47.33 47.25 1vle h GLY 183 CO 0.00 0.15 0.57 1.98 0.00 0.00 0.00 176.54 179.24 1vle h MET 184 N 0.48 0.76 0.00 4.80 -1.53 -0.80 0.22 114.93 118.87 1vle h MET 184 Ca 0.22 -0.05 -0.04 0.00 -3.44 0.00 0.00 59.70 56.39 1vle h MET 184 Cb 0.24 -0.17 -0.01 0.00 -0.55 0.00 0.00 31.60 31.11 1vle h MET 184 CO -0.06 0.50 -0.17 0.45 0.14 0.00 0.00 176.91 177.78 1vle h HIS 185 N 0.79 0.00 0.10 1.39 3.86 -1.69 0.93 115.15 120.52 1vle h HIS 185 Ca 0.42 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.30 1vle h HIS 185 Cb 0.53 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1vle h HIS 185 CO -0.00 0.17 -1.81 1.98 0.86 0.00 0.00 177.93 179.13 1vle h MET 186 N 0.00 0.21 0.00 2.45 -1.53 -0.67 -3.42 114.93 111.97 1vle h MET 186 Ca -0.00 -0.36 0.00 0.00 -3.44 0.00 0.00 59.70 55.90 1vle h MET 186 Cb 0.70 0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.88 1vle h MET 186 CO 0.02 1.03 0.00 -2.67 0.14 0.00 0.00 176.91 175.43 1vle n TRP 187 N -3.38 0.00 0.00 1.39 4.27 -0.21 -0.58 117.44 118.93 1vle n TRP 187 Ca -0.24 -0.03 0.00 0.00 -3.89 0.00 0.00 57.50 53.34 1vle n TRP 187 Cb 1.05 -0.00 0.00 0.00 -1.36 0.00 0.00 31.31 31.00 1vle n TRP 187 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1vle n GLY 188 N -0.03 0.45 2.37 -1.67 0.00 0.32 -4.36 105.19 102.27 1vle n GLY 188 Ca 0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 1vle n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vle n PHE 189 N 12.03 -0.77 -0.29 1.61 3.01 -1.26 -4.25 117.46 127.55 1vle n PHE 189 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 1vle n PHE 189 Cb 0.00 -3.55 0.23 0.00 -0.01 0.00 0.00 39.48 36.15 1vle n PHE 189 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1vle h SER 190 N 0.00 0.43 0.08 4.37 4.64 -1.89 0.33 113.55 121.50 1vle h SER 190 Ca -0.43 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1vle h SER 190 Cb 1.31 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1vle h SER 190 CO 0.52 0.15 0.00 -2.67 -0.87 0.00 0.00 176.83 173.96 1vle n TRP 191 N -4.93 0.00 -0.32 4.77 2.14 -1.07 0.72 117.44 118.74 1vle n TRP 191 Ca 0.17 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.77 1vle n TRP 191 Cb 0.47 -0.47 0.04 0.00 -0.81 0.00 0.00 31.31 30.54 1vle n TRP 191 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1vle n ARG 192 N -1.47 2.48 -3.45 -2.67 1.74 0.10 -4.38 116.66 109.02 1vle n ARG 192 Ca 0.01 -1.82 -0.25 0.00 -0.77 0.00 0.00 57.85 55.02 1vle n ARG 192 Cb 0.03 -1.15 0.01 0.00 -1.02 0.00 0.00 32.46 30.33 1vle n ARG 192 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1vle n LEU 193 N -0.78 -2.13 0.00 0.55 4.77 0.22 -2.28 117.00 117.36 1vle n LEU 193 Ca 0.05 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1vle n LEU 193 Cb 0.37 -2.46 0.00 0.00 -2.33 0.00 0.00 43.42 38.99 1vle n LEU 193 CO 0.00 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1vle n GLY 194 N -1.42 2.57 3.85 -0.72 0.00 -0.44 -2.72 105.19 106.32 1vle n GLY 194 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1vle n GLY 194 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vle s ASN 195 N -1.36 6.58 0.42 1.61 0.01 -0.96 -4.73 114.94 116.51 1vle s ASN 195 Ca 0.00 1.44 -0.10 0.00 -0.71 0.00 0.00 52.86 53.49 1vle s ASN 195 Cb 0.00 -2.45 -0.06 0.00 0.41 0.00 0.00 41.25 39.15 1vle s ASN 195 CO 0.00 -0.54 0.78 -2.16 -1.51 0.00 0.00 177.10 173.67 1vle s PRO 196 N -4.05 3.73 1.00 -0.60 0.04 -1.26 -4.73 135.00 129.14 1vle s PRO 196 Ca 0.57 0.43 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 1vle s PRO 196 Cb -0.10 -2.38 0.19 0.00 0.04 0.00 0.00 34.50 32.25 1vle s PRO 196 CO 0.32 -0.08 1.08 -1.83 0.04 0.00 0.00 177.00 176.53 1vle s GLU 197 N -4.04 0.41 0.00 4.56 -1.05 -1.26 -4.91 118.70 112.40 1vle s GLU 197 Ca 0.51 0.68 0.00 0.00 -0.15 0.00 0.00 54.97 56.00 1vle s GLU 197 Cb -0.10 -1.72 0.00 0.00 -0.44 0.00 0.00 34.13 31.87 1vle s GLU 197 CO 0.34 -2.79 0.15 1.04 0.95 0.00 0.00 175.26 174.96 1vle n GLN 198 N -4.24 0.00 -1.46 -4.83 1.13 -1.26 -4.84 117.38 101.88 1vle n GLN 198 Ca 0.05 -0.15 -0.50 0.00 -1.94 0.00 0.00 57.00 54.46 1vle n GLN 198 Cb 0.56 -0.47 -0.04 0.00 0.11 0.00 0.00 30.24 30.40 1vle n GLN 198 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1vle n TYR 199 N 0.00 0.09 -2.78 1.08 4.02 -1.26 -2.80 117.16 115.51 1vle n TYR 199 Ca 0.00 0.93 -0.15 0.00 -0.01 0.00 0.00 57.90 58.67 1vle n TYR 199 Cb 0.33 -2.05 -0.00 0.00 -0.02 0.00 0.00 39.34 37.60 1vle n TYR 199 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1vle n ASP 200 N 1.82 -3.41 0.14 7.72 10.43 -1.24 -1.60 116.55 130.42 1vle n ASP 200 Ca 0.17 0.03 0.09 0.00 2.57 0.00 0.00 54.79 57.65 1vle n ASP 200 Cb 0.23 -2.89 0.05 0.00 1.84 0.00 0.00 41.12 40.35 1vle n ASP 200 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1vle h LEU 201 N -0.34 0.00 0.07 0.64 3.38 -1.40 -3.32 115.31 114.34 1vle h LEU 201 Ca -0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1vle h LEU 201 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1vle h LEU 201 CO 0.36 0.14 -0.03 0.25 0.09 0.00 0.00 178.44 179.26 1vle h LEU 202 N 0.00 -0.08 -0.64 1.67 5.85 -1.61 0.43 115.31 120.93 1vle h LEU 202 Ca -0.02 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 1vle h LEU 202 Cb 1.13 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1vle h LEU 202 CO 0.02 -0.03 0.19 -0.08 -0.34 0.00 0.00 178.44 178.20 1vle h GLU 203 N -0.13 0.99 -0.63 1.25 4.81 -1.78 -0.25 114.58 118.86 1vle h GLU 203 Ca -0.01 -0.22 0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1vle h GLU 203 Cb 0.10 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1vle h GLU 203 CO 0.02 0.88 0.36 0.22 -0.73 0.00 0.00 179.01 179.75 1vle h ASP 204 N 0.92 0.56 -0.28 1.04 1.82 -1.60 -1.64 116.42 117.24 1vle h ASP 204 Ca 0.20 0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.78 1vle h ASP 204 Cb 0.30 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 1vle h ASP 204 CO -0.01 0.38 -0.16 1.23 -1.61 0.00 0.00 179.24 179.08 1vle h GLY 205 N 0.69 0.64 2.00 -0.78 0.00 -0.55 -1.03 103.07 104.04 1vle h GLY 205 Ca 0.27 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1vle h GLY 205 CO -0.14 0.54 -0.04 1.41 0.00 0.00 0.00 176.54 178.30 1vle h LEU 206 N 0.33 0.00 0.08 3.11 3.38 -0.75 0.11 115.31 121.58 1vle h LEU 206 Ca 0.06 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.71 1vle h LEU 206 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1vle h LEU 206 CO 0.04 0.04 -1.73 0.11 0.09 0.00 0.00 178.44 177.00 1vle h LYS 207 N 0.00 0.18 0.00 1.13 1.57 -1.16 -3.44 116.57 114.86 1vle h LYS 207 Ca -0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1vle h LYS 207 Cb 0.08 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1vle h LYS 207 CO 0.01 0.96 -0.31 0.72 -0.57 0.00 0.00 179.45 180.25 1vle n HIS 208 N -3.34 0.00 -1.89 -1.35 8.25 -0.40 -4.86 115.22 111.62 1vle n HIS 208 Ca -0.21 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.83 1vle n HIS 208 Cb 1.05 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.13 1vle n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vle s ALA 209 N -1.33 3.68 0.00 -1.41 0.00 0.37 -4.65 121.76 118.42 1vle s ALA 209 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1vle s ALA 209 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1vle s ALA 209 CO 0.02 -0.88 0.00 0.39 0.00 0.00 0.00 175.76 175.29 1vle n GLU 210 N 2.14 2.01 -3.62 0.00 1.02 -0.44 -4.73 120.64 117.02 1vle n GLU 210 Ca 0.07 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.06 1vle n GLU 210 Cb 0.39 -0.93 -0.07 0.00 -0.02 0.00 0.00 31.44 30.81 1vle n GLU 210 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1vle s MET 211 N -1.77 0.85 -0.10 3.49 0.00 -1.03 -1.95 119.30 118.78 1vle s MET 211 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 55.69 56.48 1vle s MET 211 Cb 0.00 0.41 0.02 0.00 0.00 0.00 0.00 34.83 35.26 1vle s MET 211 CO 0.00 -0.14 -0.13 0.42 0.00 0.00 0.00 175.02 175.17 1vle s ILE 212 N 0.01 1.33 -0.41 10.11 1.01 0.08 -1.82 121.20 131.51 1vle s ILE 212 Ca -0.03 -0.54 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 1vle s ILE 212 Cb -0.04 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.23 1vle s ILE 212 CO 0.03 0.41 0.29 -0.69 0.00 0.00 0.00 174.94 174.98 1vle s VAL 213 N 1.08 5.04 -0.57 2.92 1.01 -0.50 -1.80 120.40 127.59 1vle s VAL 213 Ca -0.05 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 1vle s VAL 213 Cb -0.15 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.44 1vle s VAL 213 CO -0.02 -0.35 0.86 -0.36 0.00 0.00 0.00 175.10 175.23 1vle s PHE 214 N 1.63 2.83 -0.28 5.22 0.08 0.11 0.86 117.98 128.44 1vle s PHE 214 Ca 0.04 -0.34 -0.07 0.00 0.12 0.00 0.00 56.93 56.67 1vle s PHE 214 Cb -0.20 -4.00 -0.00 0.00 -0.57 0.00 0.00 43.02 38.25 1vle s PHE 214 CO 0.08 -1.35 0.08 -0.46 -0.10 0.00 0.00 175.22 173.47 1vle s TRP 215 N 3.58 3.12 -1.48 0.36 -0.11 0.10 -0.61 118.94 123.90 1vle s TRP 215 Ca 0.23 -0.79 -0.12 0.00 1.22 0.00 0.00 56.10 56.65 1vle s TRP 215 Cb -0.16 -2.26 0.06 0.00 -1.50 0.00 0.00 33.47 29.62 1vle s TRP 215 CO 0.14 -0.51 1.00 0.45 -4.62 0.00 0.00 176.95 173.41 1vle n SER 216 N 4.89 -4.75 -3.93 5.86 2.88 -0.37 -1.26 113.62 116.94 1vle n SER 216 Ca -0.15 -0.74 -0.25 0.00 -1.33 0.00 0.00 58.87 56.40 1vle n SER 216 Cb 0.49 -4.13 -0.17 0.00 -0.75 0.00 0.00 64.21 59.66 1vle n SER 216 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1vle s SER 217 N -3.42 1.89 -0.51 -3.46 0.15 -1.26 -3.33 113.70 103.76 1vle s SER 217 Ca 0.59 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 57.02 1vle s SER 217 Cb -0.29 -0.77 0.19 0.00 -1.71 0.00 0.00 66.02 63.45 1vle s SER 217 CO 0.81 -0.07 0.46 -0.67 1.20 0.00 0.00 173.24 174.96 1vle n ASP 218 N 4.52 1.04 -0.28 5.45 -0.08 -1.26 -4.87 116.55 121.07 1vle n ASP 218 Ca -0.17 -2.77 0.08 0.00 -1.51 0.00 0.00 54.79 50.42 1vle n ASP 218 Cb 0.51 -0.64 0.22 0.00 2.34 0.00 0.00 41.12 43.55 1vle n ASP 218 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1vle h PRO 219 N 5.13 0.49 -0.05 -0.67 0.11 -1.90 -2.22 132.00 132.90 1vle h PRO 219 Ca 0.20 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1vle h PRO 219 Cb 0.83 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1vle h PRO 219 CO 0.53 0.32 0.02 0.93 -0.21 0.00 0.00 178.00 179.60 1vle h GLU 220 N 0.50 0.07 0.67 1.05 4.39 -1.94 0.35 114.58 119.67 1vle h GLU 220 Ca 0.46 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.12 1vle h GLU 220 Cb 0.72 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1vle h GLU 220 CO -0.41 0.16 -0.32 1.15 -1.16 0.00 0.00 179.01 178.43 1vle h THR 221 N -0.04 0.19 0.00 1.13 2.02 -1.87 -3.34 112.91 111.00 1vle h THR 221 Ca 0.02 -0.27 -0.20 0.00 0.77 0.00 0.00 66.41 66.73 1vle h THR 221 Cb 0.12 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1vle h THR 221 CO -0.00 0.02 -0.96 0.78 0.37 0.00 0.00 175.52 175.73 1vle h ASN 222 N -1.12 0.00 -0.79 4.18 2.35 -1.50 -3.48 115.58 115.22 1vle h ASN 222 Ca -0.09 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.34 1vle h ASN 222 Cb 0.72 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.97 1vle h ASN 222 CO 0.15 0.94 -0.29 -1.54 -1.65 0.00 0.00 177.43 175.04 1vle n SER 223 N -3.33 -5.48 0.00 5.81 3.41 0.12 -2.57 113.62 111.59 1vle n SER 223 Ca -0.00 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1vle n SER 223 Cb 0.92 -4.45 0.00 0.00 -0.26 0.00 0.00 64.21 60.42 1vle n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vle n GLY 224 N -0.07 2.10 3.65 5.00 0.00 -1.24 -4.30 105.19 110.33 1vle n GLY 224 Ca -0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 1vle n GLY 224 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vle s ILE 225 N 0.00 0.00 -0.43 -0.61 2.07 -1.06 -4.71 121.20 116.45 1vle s ILE 225 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1vle s ILE 225 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1vle s ILE 225 CO 0.00 0.00 0.00 -1.22 -1.91 0.00 0.00 174.94 171.81 1vle n TYR 226 N 1.72 -0.04 -1.34 3.50 0.53 -1.25 -4.85 117.16 115.43 1vle n TYR 226 Ca -0.11 0.00 -0.09 0.00 -1.02 0.00 0.00 57.90 56.68 1vle n TYR 226 Cb 0.57 -2.07 0.20 0.00 -1.03 0.00 0.00 39.34 37.01 1vle n TYR 226 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1vle n ALA 227 N 0.88 4.62 -0.22 -0.72 0.00 -1.26 -4.02 120.51 119.79 1vle n ALA 227 Ca -0.04 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.42 1vle n ALA 227 Cb 0.46 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1vle n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vle n GLY 228 N -1.04 2.25 2.46 0.00 0.00 -1.26 -1.80 105.19 105.81 1vle n GLY 228 Ca 0.40 0.40 -0.11 0.00 0.00 0.00 0.00 46.02 46.71 1vle n GLY 228 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vle n PHE 229 N 8.26 1.97 -0.09 1.61 3.01 -1.26 -4.64 117.46 126.32 1vle n PHE 229 Ca 0.00 -2.22 -0.00 0.00 1.01 0.00 0.00 57.45 56.24 1vle n PHE 229 Cb 0.00 -0.28 0.28 0.00 -0.01 0.00 0.00 39.48 39.47 1vle n PHE 229 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1vle h GLU 230 N 2.43 0.72 -0.01 -1.08 4.39 -1.67 -3.08 114.58 116.29 1vle h GLU 230 Ca 0.10 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1vle h GLU 230 Cb 1.38 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1vle h GLU 230 CO 0.46 0.60 -0.10 -1.13 -1.16 0.00 0.00 179.01 177.68 1vle n SER 231 N -4.35 0.98 -0.32 1.42 3.41 -1.26 -4.32 113.62 109.18 1vle n SER 231 Ca 0.04 -1.06 0.04 0.00 -0.26 0.00 0.00 58.87 57.63 1vle n SER 231 Cb 0.16 0.02 0.19 0.00 -0.26 0.00 0.00 64.21 64.31 1vle n SER 231 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1vle h ASN 232 N 1.38 0.78 0.82 4.04 -0.73 -1.92 -1.94 115.58 118.01 1vle h ASN 232 Ca 0.00 0.04 -0.08 0.00 1.87 0.00 0.00 56.30 58.13 1vle h ASN 232 Cb 0.42 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 1vle h ASN 232 CO 0.00 0.44 -0.40 -0.29 -0.37 0.00 0.00 177.43 176.81 1vle h ILE 233 N 0.88 0.95 -0.34 2.57 2.10 -1.82 -2.77 117.51 119.08 1vle h ILE 233 Ca 0.43 -1.59 -0.05 0.00 1.08 0.00 0.00 64.86 64.72 1vle h ILE 233 Cb 0.37 1.96 -0.01 0.00 -1.09 0.00 0.00 36.82 38.04 1vle h ILE 233 CO -0.24 0.40 0.01 0.03 -1.08 0.00 0.00 178.15 177.27 1vle h ARG 234 N 0.00 0.59 0.00 2.19 3.08 -1.62 0.19 114.38 118.80 1vle h ARG 234 Ca -0.00 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 1vle h ARG 234 Cb 0.92 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1vle h ARG 234 CO 0.05 0.70 -0.31 0.00 -1.07 0.00 0.00 179.97 179.35 1vle h ARG 235 N 0.41 0.00 -0.48 0.04 3.08 -1.49 -1.14 114.38 114.80 1vle h ARG 235 Ca 0.10 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1vle h ARG 235 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1vle h ARG 235 CO 0.01 0.31 -0.10 0.37 -1.07 0.00 0.00 179.97 179.50 1vle h GLN 236 N 0.00 0.92 0.22 0.04 5.75 -1.13 0.18 115.11 121.09 1vle h GLN 236 Ca -0.00 -0.34 -0.01 0.00 -0.15 0.00 0.00 58.65 58.14 1vle h GLN 236 Cb 0.68 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1vle h GLN 236 CO 0.04 1.00 -0.11 -1.49 -2.65 0.00 0.00 178.83 175.62 1vle h TRP 237 N 0.77 -0.27 -0.45 3.99 6.55 -0.24 -0.71 115.95 125.58 1vle h TRP 237 Ca 0.12 -0.01 0.04 0.00 0.95 0.00 0.00 58.89 60.00 1vle h TRP 237 Cb 0.65 0.09 -0.04 0.00 -0.86 0.00 0.00 29.16 29.00 1vle h TRP 237 CO 0.05 -0.13 0.22 -0.07 -1.05 0.00 0.00 178.44 177.46 1vle h LEU 238 N -0.35 0.30 -0.31 -4.49 3.38 -1.11 -1.08 115.31 111.65 1vle h LEU 238 Ca -0.03 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1vle h LEU 238 Cb 0.27 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1vle h LEU 238 CO 0.05 0.22 -0.02 0.50 0.09 0.00 0.00 178.44 179.28 1vle h LYS 239 N 0.43 0.07 0.00 1.13 3.64 -0.44 -0.78 116.57 120.62 1vle h LYS 239 Ca 0.20 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1vle h LYS 239 Cb 0.12 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1vle h LYS 239 CO -0.15 0.04 0.00 -0.44 -2.27 0.00 0.00 179.45 176.64 1vle h ASP 240 N 0.07 0.00 0.17 4.20 3.32 -0.67 -1.48 116.42 122.03 1vle h ASP 240 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1vle h ASP 240 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1vle h ASP 240 CO -0.26 0.00 -0.07 0.18 -1.72 0.00 0.00 179.24 177.36 1vle n LEU 241 N -2.32 0.75 0.00 1.55 4.77 -0.37 -4.91 117.00 116.47 1vle n LEU 241 Ca 0.02 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1vle n LEU 241 Cb 0.26 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1vle n LEU 241 CO 0.22 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1vle n GLY 242 N 1.20 0.81 3.71 -0.72 0.00 -0.56 -5.05 105.19 104.58 1vle n GLY 242 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1vle n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vle s VAL 243 N -2.08 3.93 0.26 1.61 1.01 -0.77 -4.93 120.40 119.44 1vle s VAL 243 Ca 0.00 1.36 -0.26 0.00 0.00 0.00 0.00 61.98 63.08 1vle s VAL 243 Cb 0.00 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 1vle s VAL 243 CO 0.00 0.08 0.89 -1.81 0.00 0.00 0.00 175.10 174.25 1vle s ASP 244 N 1.23 7.39 -0.22 3.32 1.01 -0.82 -4.48 116.67 124.10 1vle s ASP 244 Ca 0.60 1.78 -0.02 0.00 0.71 0.00 0.00 52.55 55.62 1vle s ASP 244 Cb -0.30 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.09 1vle s ASP 244 CO 0.28 0.05 -0.09 -0.36 0.21 0.00 0.00 175.17 175.26 1vle s PHE 245 N -1.42 2.95 -0.10 4.23 2.99 -1.26 -0.74 117.98 124.64 1vle s PHE 245 Ca 0.45 -1.31 0.03 0.00 0.00 0.00 0.00 56.93 56.10 1vle s PHE 245 Cb -0.21 -2.05 -0.01 0.00 0.00 0.00 0.00 43.02 40.76 1vle s PHE 245 CO 0.26 -0.67 -0.20 0.08 -0.00 0.00 0.00 175.22 174.69 1vle s VAL 246 N 1.38 2.42 -0.16 -0.44 1.01 -0.74 0.19 120.40 124.06 1vle s VAL 246 Ca 0.04 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1vle s VAL 246 Cb -0.15 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1vle s VAL 246 CO -0.06 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.06 1vle s PHE 247 N 0.15 2.75 -0.35 5.22 0.40 0.14 0.09 117.98 126.39 1vle s PHE 247 Ca -0.11 -1.25 -0.04 0.00 -0.60 0.00 0.00 56.93 54.93 1vle s PHE 247 Cb -0.16 -1.88 0.06 0.00 0.51 0.00 0.00 43.02 41.55 1vle s PHE 247 CO 0.06 -0.59 0.10 0.42 0.70 0.00 0.00 175.22 175.91 1vle s ILE 248 N 0.95 3.35 -0.28 0.64 1.01 0.22 -0.23 121.20 126.85 1vle s ILE 248 Ca -0.03 -1.50 -0.16 0.00 0.00 0.00 0.00 60.65 58.96 1vle s ILE 248 Cb -0.15 -3.02 0.10 0.00 0.01 0.00 0.00 42.46 39.40 1vle s ILE 248 CO -0.03 -0.30 0.80 -0.62 0.00 0.00 0.00 174.94 174.78 1vle s ASP 249 N 1.50 -0.77 0.51 3.58 -1.08 -0.39 -1.23 116.67 118.78 1vle s ASP 249 Ca -0.00 1.25 0.27 0.00 -0.52 0.00 0.00 52.55 53.54 1vle s ASP 249 Cb -0.21 1.32 1.36 0.00 -1.46 0.00 0.00 42.92 43.93 1vle s ASP 249 CO -0.01 -0.20 1.91 -0.65 0.52 0.00 0.00 175.17 176.74 1vle h PRO 250 N 6.55 0.10 -5.60 4.34 0.11 -1.77 -3.37 132.00 132.37 1vle h PRO 250 Ca -0.29 -0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.16 1vle h PRO 250 Cb 1.21 -0.02 -0.20 0.00 0.11 0.00 0.00 31.00 32.10 1vle h PRO 250 CO 0.17 0.07 -0.66 -1.58 -0.21 0.00 0.00 178.00 175.79 1vle s HIS 251 N -5.10 3.03 -0.99 0.65 5.65 -1.26 -4.01 115.29 113.26 1vle s HIS 251 Ca -0.06 -0.13 -0.24 0.00 0.25 0.00 0.00 55.06 54.88 1vle s HIS 251 Cb 0.21 -1.88 -0.03 0.00 -1.18 0.00 0.00 32.58 29.71 1vle s HIS 251 CO 0.77 0.14 1.84 1.41 -0.65 0.00 0.00 174.74 178.24 1vle s MET 252 N -0.11 2.82 1.26 2.88 1.75 -0.71 -4.92 119.30 122.27 1vle s MET 252 Ca 0.03 -0.68 -0.16 0.00 -1.25 0.00 0.00 55.69 53.63 1vle s MET 252 Cb -0.13 -5.17 0.32 0.00 2.84 0.00 0.00 34.83 32.69 1vle s MET 252 CO 0.02 -3.20 0.99 0.54 -0.65 0.00 0.00 175.02 172.73 1vle s ASN 253 N 7.00 0.16 0.43 1.11 2.20 -1.26 -4.56 114.94 120.03 1vle s ASN 253 Ca 0.64 1.30 0.12 0.00 -0.94 0.00 0.00 52.86 53.98 1vle s ASN 253 Cb -0.04 -1.98 0.94 0.00 -2.00 0.00 0.00 41.25 38.17 1vle s ASN 253 CO 0.00 -4.67 1.99 0.45 -2.94 0.00 0.00 177.10 171.93 1vle h HIS 254 N -2.95 0.14 -0.19 1.54 3.86 -1.95 0.12 115.15 115.72 1vle h HIS 254 Ca -0.57 -0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 58.51 1vle h HIS 254 Cb 1.34 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.77 1vle h HIS 254 CO -0.81 0.24 -0.34 1.15 0.86 0.00 0.00 177.93 179.03 1vle h THR 255 N 0.14 1.34 -0.68 2.45 2.02 -1.90 -2.80 112.91 113.47 1vle h THR 255 Ca 0.03 -1.57 -0.04 0.00 0.77 0.00 0.00 66.41 65.59 1vle h THR 255 Cb 0.26 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1vle h THR 255 CO 0.01 0.48 0.25 0.00 0.37 0.00 0.00 175.52 176.64 1vle h ALA 256 N 0.60 1.16 0.00 6.16 0.00 -1.74 -0.40 119.26 125.03 1vle h ALA 256 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1vle h ALA 256 Cb 0.94 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1vle h ALA 256 CO 0.08 0.60 -0.07 0.00 0.00 0.00 0.00 179.25 179.85 1vle h ARG 257 N 0.99 0.00 0.04 0.00 3.08 -0.71 -1.91 114.38 115.87 1vle h ARG 257 Ca 0.23 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.94 1vle h ARG 257 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1vle h ARG 257 CO -0.02 0.07 -1.88 -0.11 -1.07 0.00 0.00 179.97 176.97 1vle n LEU 258 N -3.59 2.28 -0.07 3.04 7.94 -0.64 -4.80 117.00 121.16 1vle n LEU 258 Ca -0.02 0.27 0.01 0.00 -1.11 0.00 0.00 56.01 55.15 1vle n LEU 258 Cb 0.19 -0.99 0.01 0.00 0.53 0.00 0.00 43.42 43.16 1vle n LEU 258 CO 0.28 0.61 0.34 1.33 -1.11 0.00 0.00 177.39 178.84 1vle n VAL 259 N -3.94 0.41 -1.99 1.96 0.24 -0.26 -5.09 118.33 109.67 1vle n VAL 259 Ca -0.38 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.34 61.07 1vle n VAL 259 Cb 0.88 0.71 -0.02 0.00 -1.47 0.00 0.00 33.84 33.94 1vle n VAL 259 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vle s ALA 260 N -0.48 3.64 -0.13 2.33 0.00 -0.72 -4.67 121.76 121.73 1vle s ALA 260 Ca 0.02 1.35 0.18 0.00 0.00 0.00 0.00 51.96 53.51 1vle s ALA 260 Cb 0.02 -3.57 -0.17 0.00 0.00 0.00 0.00 23.12 19.40 1vle s ALA 260 CO 0.00 -0.77 0.68 -0.25 0.00 0.00 0.00 175.76 175.42 1vle n ASP 261 N 2.31 0.62 -3.60 0.00 10.43 0.13 -4.94 116.55 121.51 1vle n ASP 261 Ca 0.07 0.27 -0.15 0.00 2.57 0.00 0.00 54.79 57.55 1vle n ASP 261 Cb 0.40 0.53 -0.07 0.00 1.84 0.00 0.00 41.12 43.82 1vle n ASP 261 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1vle s LYS 262 N -2.95 0.88 -0.04 -1.24 2.47 -1.12 -5.02 119.74 112.72 1vle s LYS 262 Ca -0.04 0.77 0.04 0.00 -1.56 0.00 0.00 55.97 55.18 1vle s LYS 262 Cb 0.09 0.43 -0.00 0.00 -1.46 0.00 0.00 37.83 36.88 1vle s LYS 262 CO 0.83 -0.16 -0.17 -0.46 0.16 0.00 0.00 175.35 175.54 1vle s TRP 263 N -0.06 1.68 -0.08 4.03 -0.00 -1.26 -0.68 118.94 122.57 1vle s TRP 263 Ca -0.03 -0.45 0.03 0.00 -0.00 0.00 0.00 56.10 55.65 1vle s TRP 263 Cb -0.04 -1.13 -0.02 0.00 -0.00 0.00 0.00 33.47 32.29 1vle s TRP 263 CO 0.03 -0.14 -0.17 -0.06 -0.00 0.00 0.00 176.95 176.61 1vle s PHE 264 N -0.04 2.65 -0.68 5.86 0.40 0.68 -4.98 117.98 121.88 1vle s PHE 264 Ca -0.02 -0.49 0.03 0.00 -0.60 0.00 0.00 56.93 55.86 1vle s PHE 264 Cb -0.11 -1.68 0.17 0.00 0.51 0.00 0.00 43.02 41.90 1vle s PHE 264 CO 0.02 -0.06 0.47 0.45 0.70 0.00 0.00 175.22 176.79 1vle s SER 265 N -0.22 4.87 0.29 1.36 0.15 -1.26 -1.26 113.70 117.64 1vle s SER 265 Ca -0.00 -3.58 -0.29 0.00 0.70 0.00 0.00 55.95 52.77 1vle s SER 265 Cb -0.13 -1.68 -0.10 0.00 -1.71 0.00 0.00 66.02 62.40 1vle s SER 265 CO 0.03 -0.15 1.13 -2.16 1.20 0.00 0.00 173.24 173.29 1vle s PRO 266 N -1.09 4.58 0.71 5.44 0.04 -1.26 -4.70 135.00 138.71 1vle s PRO 266 Ca 0.23 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 1vle s PRO 266 Cb -0.11 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1vle s PRO 266 CO -0.11 0.14 1.01 1.63 0.04 0.00 0.00 177.00 179.70 1vle n LYS 267 N 1.07 0.58 -1.68 4.56 5.02 -0.55 -4.19 118.16 122.97 1vle n LYS 267 Ca -0.01 0.25 -0.41 0.00 -2.02 0.00 0.00 58.31 56.13 1vle n LYS 267 Cb 0.45 -2.26 0.01 0.00 -0.02 0.00 0.00 35.03 33.21 1vle n LYS 267 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1vle n ILE 268 N -2.43 2.60 -1.59 -0.18 -5.35 -1.26 -2.53 119.36 108.61 1vle n ILE 268 Ca 0.13 -0.50 -0.14 0.00 -0.27 0.00 0.00 62.75 61.97 1vle n ILE 268 Cb 0.49 -1.47 -0.05 0.00 -1.74 0.00 0.00 39.64 36.87 1vle n ILE 268 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vle n GLY 269 N 0.90 1.15 0.07 3.28 0.00 -1.26 -4.64 105.19 104.69 1vle n GLY 269 Ca 0.07 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.79 1vle n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vle n THR 270 N -2.86 1.02 -0.26 2.61 -2.24 -1.05 -4.32 114.28 107.17 1vle n THR 270 Ca -0.15 -1.13 -0.03 0.00 -2.27 0.00 0.00 64.05 60.46 1vle n THR 270 Cb 0.51 0.36 0.08 0.00 -2.10 0.00 0.00 70.33 69.17 1vle n THR 270 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1vle h ASP 271 N 0.00 0.79 0.22 3.42 5.19 -1.91 -2.27 116.42 121.86 1vle h ASP 271 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1vle h ASP 271 Cb 0.80 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1vle h ASP 271 CO 0.00 0.55 0.00 0.00 -3.12 0.00 0.00 179.24 176.67 1vle n HIS 272 N -4.62 0.56 0.03 4.55 1.44 -1.26 -0.51 115.22 115.41 1vle n HIS 272 Ca 0.08 0.27 -0.10 0.00 -2.01 0.00 0.00 57.72 55.95 1vle n HIS 272 Cb 0.07 -0.93 0.03 0.00 0.12 0.00 0.00 29.99 29.28 1vle n HIS 272 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1vle h ALA 273 N 2.10 0.60 -0.10 1.59 0.00 -1.78 -1.00 119.26 120.67 1vle h ALA 273 Ca 0.00 -0.58 -0.17 0.00 0.00 0.00 0.00 54.91 54.16 1vle h ALA 273 Cb 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1vle h ALA 273 CO 0.00 0.73 -0.59 -0.07 0.00 0.00 0.00 179.25 179.33 1vle h LEU 274 N 0.34 0.70 -1.11 0.00 3.38 -0.89 -2.10 115.31 115.63 1vle h LEU 274 Ca -0.02 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.26 1vle h LEU 274 Cb 1.26 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1vle h LEU 274 CO 0.12 1.24 0.22 0.77 0.09 0.00 0.00 178.44 180.88 1vle h SER 275 N 0.21 0.78 -0.37 -0.43 4.64 -1.40 0.72 113.55 117.70 1vle h SER 275 Ca -0.04 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.03 1vle h SER 275 Cb 1.23 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1vle h SER 275 CO 0.12 0.71 -0.32 -0.26 -0.87 0.00 0.00 176.83 176.21 1vle h PHE 276 N 0.84 1.06 -0.04 4.77 -1.00 -1.16 -1.56 116.94 119.84 1vle h PHE 276 Ca 0.20 -0.29 -0.12 0.00 2.81 0.00 0.00 57.97 60.57 1vle h PHE 276 Cb 0.18 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 1vle h PHE 276 CO 0.01 1.09 -0.52 0.00 -1.61 0.00 0.00 178.31 177.28 1vle h ALA 277 N 0.88 1.04 -0.26 2.45 0.00 -0.85 -0.10 119.26 122.42 1vle h ALA 277 Ca 0.08 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 1vle h ALA 277 Cb 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1vle h ALA 277 CO 0.08 0.67 -0.54 0.82 0.00 0.00 0.00 179.25 180.28 1vle h ILE 278 N 0.10 1.28 -0.61 0.00 2.04 -0.75 -2.15 117.51 117.42 1vle h ILE 278 Ca 0.00 -1.73 -0.09 0.00 1.00 0.00 0.00 64.86 64.04 1vle h ILE 278 Cb 0.96 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1vle h ILE 278 CO 0.07 0.56 0.03 0.00 0.00 0.00 0.00 178.15 178.81 1vle h ALA 279 N 0.65 0.89 -0.51 1.87 0.00 -1.09 -2.39 119.26 118.69 1vle h ALA 279 Ca 0.01 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1vle h ALA 279 Cb 1.15 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1vle h ALA 279 CO 0.12 0.66 0.25 -0.92 0.00 0.00 0.00 179.25 179.36 1vle h TYR 280 N 0.97 0.45 -0.69 0.00 3.20 -0.89 -0.88 116.97 119.14 1vle h TYR 280 Ca 0.18 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1vle h TYR 280 Cb 0.52 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1vle h TYR 280 CO 0.04 0.21 0.40 1.15 -1.64 0.00 0.00 178.16 178.32 1vle h THR 281 N 0.48 1.20 -0.64 1.81 2.02 -1.11 -0.56 112.91 116.11 1vle h THR 281 Ca 0.23 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 1vle h THR 281 Cb 0.15 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1vle h THR 281 CO -0.17 0.22 0.16 -0.50 0.37 0.00 0.00 175.52 175.60 1vle h TRP 282 N 0.94 1.04 -0.15 3.16 6.55 -0.90 0.05 115.95 126.65 1vle h TRP 282 Ca 0.25 -0.11 -0.03 0.00 0.95 0.00 0.00 58.89 59.95 1vle h TRP 282 Cb -0.01 -0.30 -0.00 0.00 -0.86 0.00 0.00 29.16 27.99 1vle h TRP 282 CO -0.01 0.85 -0.03 -0.07 -1.05 0.00 0.00 178.44 178.13 1vle h LEU 283 N 0.96 0.28 -1.51 -4.49 3.38 -0.75 0.12 115.31 113.31 1vle h LEU 283 Ca 0.21 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1vle h LEU 283 Cb 0.33 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1vle h LEU 283 CO -0.00 0.58 -0.25 0.11 0.09 0.00 0.00 178.44 178.97 1vle h LYS 284 N -0.02 0.00 -0.38 1.13 1.79 -0.91 -3.07 116.57 115.10 1vle h LYS 284 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1vle h LYS 284 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1vle h LYS 284 CO 0.01 0.25 0.00 0.39 -1.08 0.00 0.00 179.45 179.02 1vle n GLU 285 N -4.21 2.46 -2.89 3.15 1.02 -0.01 -4.96 120.64 115.19 1vle n GLU 285 Ca -0.02 -2.08 -0.19 0.00 -0.02 0.00 0.00 57.16 54.85 1vle n GLU 285 Cb 0.30 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1vle n GLU 285 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1vle n ASP 286 N 0.90 -4.41 -3.62 1.62 9.92 0.28 -4.87 116.55 116.36 1vle n ASP 286 Ca 0.15 -0.12 -0.41 0.00 -0.53 0.00 0.00 54.79 53.87 1vle n ASP 286 Cb 0.47 -3.66 0.02 0.00 -0.64 0.00 0.00 41.12 37.31 1vle n ASP 286 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1vle n SER 287 N -2.14 7.45 -3.85 -2.24 3.41 -0.35 -4.95 113.62 110.96 1vle n SER 287 Ca -0.10 -3.63 -0.09 0.00 -0.26 0.00 0.00 58.87 54.80 1vle n SER 287 Cb 0.59 -1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.31 1vle n SER 287 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1vle s TYR 288 N -3.97 0.00 -1.09 7.33 1.13 -1.26 -4.75 117.35 114.74 1vle s TYR 288 Ca 0.41 -0.39 -0.22 0.00 -1.41 0.00 0.00 57.07 55.47 1vle s TYR 288 Cb 0.19 0.44 0.05 0.00 -1.10 0.00 0.00 41.96 41.53 1vle s TYR 288 CO -0.13 -1.04 1.57 0.34 -2.51 0.00 0.00 175.55 173.78 1vle s ASP 289 N -2.93 6.48 0.13 -0.18 -1.08 -0.35 -4.82 116.67 113.91 1vle s ASP 289 Ca 0.14 -1.68 -0.18 0.00 -0.52 0.00 0.00 52.55 50.31 1vle s ASP 289 Cb -0.03 -2.57 -0.03 0.00 -1.46 0.00 0.00 42.92 38.84 1vle s ASP 289 CO 0.04 -1.53 1.76 0.11 0.52 0.00 0.00 175.17 176.07 1vle h LYS 290 N 9.28 0.43 -0.51 4.34 1.57 -1.95 -2.17 116.57 127.57 1vle h LYS 290 Ca 0.26 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.09 1vle h LYS 290 Cb 0.97 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.12 1vle h LYS 290 CO 1.42 0.34 0.09 0.93 -0.57 0.00 0.00 179.45 181.66 1vle h GLU 291 N 0.40 0.22 0.17 3.15 3.07 -1.99 0.51 114.58 120.11 1vle h GLU 291 Ca 0.11 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1vle h GLU 291 Cb 0.02 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1vle h GLU 291 CO -0.02 0.15 -0.16 -0.92 -1.40 0.00 0.00 179.01 176.66 1vle h TYR 292 N 0.23 -0.41 -0.66 4.33 3.20 -1.91 -2.55 116.97 119.20 1vle h TYR 292 Ca 0.26 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.14 1vle h TYR 292 Cb 0.35 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 1vle h TYR 292 CO -0.24 -0.24 0.43 0.28 -1.64 0.00 0.00 178.16 176.76 1vle h VAL 293 N -0.35 1.16 -0.63 1.81 2.07 -0.93 0.18 116.25 119.56 1vle h VAL 293 Ca 0.00 -0.30 0.09 0.00 0.82 0.00 0.00 66.70 67.31 1vle h VAL 293 Cb 0.33 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1vle h VAL 293 CO -0.03 0.16 0.42 0.00 0.02 0.00 0.00 177.57 178.13 1vle h ALA 294 N 1.25 1.93 0.00 1.67 0.00 -0.73 0.01 119.26 123.40 1vle h ALA 294 Ca 0.25 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.82 1vle h ALA 294 Cb -0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 1vle h ALA 294 CO -0.06 -0.06 -2.01 0.00 0.00 0.00 0.00 179.25 177.12 1vle n ALA 295 N -2.50 1.51 0.45 0.00 0.00 -0.88 -4.60 120.51 114.49 1vle n ALA 295 Ca 0.10 -1.02 0.05 0.00 0.00 0.00 0.00 53.44 52.57 1vle n ALA 295 Cb 0.33 -0.55 0.02 0.00 0.00 0.00 0.00 19.45 19.25 1vle n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vle n ASN 296 N -2.91 1.57 -4.72 0.00 3.02 0.59 -4.99 115.26 107.82 1vle n ASN 296 Ca -0.24 -1.28 -0.27 0.00 -0.03 0.00 0.00 54.58 52.76 1vle n ASN 296 Cb 1.10 0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 40.42 1vle n ASN 296 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vle s ALA 297 N -1.12 3.35 -0.06 5.41 0.00 -0.03 -0.40 121.76 128.91 1vle s ALA 297 Ca 0.10 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.79 1vle s ALA 297 Cb 0.09 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 22.07 1vle s ALA 297 CO 0.19 0.51 -0.10 -1.58 0.00 0.00 0.00 175.76 174.77 1vle s HIS 298 N -1.71 1.31 -0.65 0.00 2.46 -0.13 -4.72 115.29 111.85 1vle s HIS 298 Ca 0.29 -0.48 0.00 0.00 0.47 0.00 0.00 55.06 55.33 1vle s HIS 298 Cb -0.10 -1.00 0.00 0.00 -0.13 0.00 0.00 32.58 31.35 1vle s HIS 298 CO 0.20 -0.28 0.00 0.41 -2.47 0.00 0.00 174.74 172.61 1vle n GLY 299 N 3.95 0.73 0.27 1.59 0.00 -1.26 -1.68 105.19 108.79 1vle n GLY 299 Ca -0.22 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 1vle n GLY 299 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1vle h PHE 300 N 0.00 1.13 -0.34 1.61 3.57 -1.92 -2.47 116.94 118.52 1vle h PHE 300 Ca -0.13 -0.31 0.05 0.00 3.53 0.00 0.00 57.97 61.10 1vle h PHE 300 Cb 0.54 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1vle h PHE 300 CO 0.18 1.14 0.08 0.93 -2.23 0.00 0.00 178.31 178.41 1vle h GLU 301 N 0.80 0.20 -0.66 1.11 3.07 -1.97 0.14 114.58 117.27 1vle h GLU 301 Ca 0.08 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.90 1vle h GLU 301 Cb 0.90 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.74 1vle h GLU 301 CO 0.08 0.13 0.31 0.93 -1.40 0.00 0.00 179.01 179.06 1vle h GLU 302 N 0.21 0.96 -0.04 2.33 3.07 -1.96 -2.49 114.58 116.65 1vle h GLU 302 Ca 0.16 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1vle h GLU 302 Cb 0.17 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1vle h GLU 302 CO -0.20 0.77 0.02 2.35 -1.40 0.00 0.00 179.01 180.56 1vle h TRP 303 N 0.92 0.05 -0.93 4.33 7.01 -0.91 -2.62 115.95 123.80 1vle h TRP 303 Ca 0.23 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.37 1vle h TRP 303 Cb 0.13 -0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 27.10 1vle h TRP 303 CO 0.01 0.09 0.60 0.00 -2.79 0.00 0.00 178.44 176.35 1vle h ALA 304 N 0.96 1.73 -0.02 2.65 0.00 -0.59 0.25 119.26 124.23 1vle h ALA 304 Ca 0.01 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1vle h ALA 304 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1vle h ALA 304 CO -0.00 0.02 -0.29 -0.44 0.00 0.00 0.00 179.25 178.53 1vle h ASP 305 N 0.79 0.04 -0.05 0.00 3.32 -1.09 0.12 116.42 119.54 1vle h ASP 305 Ca 0.47 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.37 1vle h ASP 305 Cb 0.67 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.22 1vle h ASP 305 CO -0.24 0.33 -0.51 0.22 -1.72 0.00 0.00 179.24 177.33 1vle h TYR 306 N 0.04 0.61 -0.96 4.55 3.20 -0.29 0.27 116.97 124.38 1vle h TYR 306 Ca 0.00 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.58 1vle h TYR 306 Cb 0.54 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.68 1vle h TYR 306 CO 0.00 1.08 0.61 0.28 -1.64 0.00 0.00 178.16 178.49 1vle h VAL 307 N -0.04 1.26 0.00 1.81 2.07 -0.60 -0.22 116.25 120.53 1vle h VAL 307 Ca -0.05 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1vle h VAL 307 Cb 1.19 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1vle h VAL 307 CO 0.10 0.26 0.00 0.18 0.02 0.00 0.00 177.57 178.13 1vle n LEU 308 N -4.36 0.00 -0.02 2.57 4.77 0.00 -1.62 117.00 118.33 1vle n LEU 308 Ca 0.11 0.29 -0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1vle n LEU 308 Cb 0.04 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1vle n LEU 308 CO 0.38 -0.07 -0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1vle n GLY 309 N 0.70 0.43 0.13 -0.72 0.00 -0.09 -4.09 105.19 101.55 1vle n GLY 309 Ca 0.11 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1vle n GLY 309 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vle h LYS 310 N 0.76 0.34 0.00 1.61 1.57 -1.18 0.15 116.57 119.81 1vle h LYS 310 Ca -0.01 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 1vle h LYS 310 Cb 0.18 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1vle h LYS 310 CO 0.01 0.43 -0.88 1.79 -0.57 0.00 0.00 179.45 180.23 1vle h THR 311 N 0.18 1.57 0.00 -0.16 1.35 -1.87 -3.35 112.91 110.63 1vle h THR 311 Ca 0.07 -3.07 0.00 0.00 -0.55 0.00 0.00 66.41 62.86 1vle h THR 311 Cb 0.23 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1vle h THR 311 CO -0.00 0.86 -0.65 -0.90 -0.25 0.00 0.00 175.52 174.58 1vle n ASP 312 N -3.40 0.67 0.00 5.36 3.85 -1.24 -5.00 116.55 116.79 1vle n ASP 312 Ca 0.00 -0.75 0.00 0.00 -0.71 0.00 0.00 54.79 53.33 1vle n ASP 312 Cb 0.86 1.03 0.00 0.00 -1.35 0.00 0.00 41.12 41.67 1vle n ASP 312 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vle n GLY 313 N 1.32 0.74 2.76 6.12 0.00 0.51 -5.03 105.19 111.61 1vle n GLY 313 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1vle n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vle s THR 314 N -2.49 1.23 0.29 2.61 2.01 -1.15 -4.99 115.64 113.16 1vle s THR 314 Ca 0.00 -1.95 -0.30 0.00 0.31 0.00 0.00 61.69 59.75 1vle s THR 314 Cb 0.00 -1.90 -0.12 0.00 0.01 0.00 0.00 72.50 70.49 1vle s THR 314 CO 0.00 -0.75 1.52 -2.65 -0.69 0.00 0.00 174.62 172.05 1vle n PRO 315 N 4.28 2.50 -1.91 4.92 -0.02 -1.26 -3.99 135.00 139.53 1vle n PRO 315 Ca 0.03 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 61.99 1vle n PRO 315 Cb 0.39 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.24 1vle n PRO 315 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vle n LYS 316 N 1.89 3.87 -1.47 -0.52 4.76 -0.64 -4.87 118.16 121.18 1vle n LYS 316 Ca 0.08 -3.08 -0.30 0.00 -2.87 0.00 0.00 58.31 52.14 1vle n LYS 316 Cb 0.36 -2.85 0.10 0.00 -1.84 0.00 0.00 35.03 30.80 1vle n LYS 316 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1vle s THR 317 N 0.64 2.98 0.36 -0.18 -4.23 -1.26 -3.70 115.64 110.26 1vle s THR 317 Ca 0.52 0.32 0.07 0.00 -1.18 0.00 0.00 61.69 61.42 1vle s THR 317 Cb 0.15 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 71.16 1vle s THR 317 CO -0.06 -0.42 1.91 0.00 -0.54 0.00 0.00 174.62 175.51 1vle h GLU 319 N 0.39 1.10 -0.62 0.00 3.07 -1.92 0.28 114.58 116.87 1vle h GLU 319 Ca 0.08 -0.32 -0.03 0.00 -0.50 0.00 0.00 59.36 58.59 1vle h GLU 319 Cb 0.32 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1vle h GLU 319 CO 0.01 1.04 0.28 2.35 -1.40 0.00 0.00 179.01 181.29 1vle h TRP 320 N 1.01 0.92 -0.37 4.33 7.01 -1.72 -1.61 115.95 125.52 1vle h TRP 320 Ca 0.19 -0.06 -0.08 0.00 2.11 0.00 0.00 58.89 61.05 1vle h TRP 320 Cb 0.51 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 1vle h TRP 320 CO 0.04 0.71 -0.11 0.00 -2.79 0.00 0.00 178.44 176.29 1vle h ALA 321 N 1.11 1.13 -0.24 2.65 0.00 -0.68 -2.66 119.26 120.57 1vle h ALA 321 Ca 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1vle h ALA 321 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1vle h ALA 321 CO -0.02 0.55 0.08 1.49 0.00 0.00 0.00 179.25 181.34 1vle h GLU 322 N 0.58 0.36 0.00 0.00 4.81 0.05 -0.18 114.58 120.20 1vle h GLU 322 Ca 0.10 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1vle h GLU 322 Cb 0.53 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1vle h GLU 322 CO 0.03 0.44 -0.02 1.49 -0.73 0.00 0.00 179.01 180.22 1vle h GLU 323 N 0.22 0.00 0.03 1.92 4.81 -1.09 0.72 114.58 121.19 1vle h GLU 323 Ca 0.08 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 1vle h GLU 323 Cb 0.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1vle h GLU 323 CO -0.00 0.02 -0.92 0.93 -0.73 0.00 0.00 179.01 178.31 1vle h GLU 324 N 0.00 0.06 0.00 1.92 4.39 -1.09 -3.42 114.58 116.44 1vle h GLU 324 Ca -0.00 -0.11 -0.20 0.00 0.34 0.00 0.00 59.36 59.39 1vle h GLU 324 Cb 0.06 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1vle h GLU 324 CO 0.00 1.05 -2.04 -1.13 -1.16 0.00 0.00 179.01 175.73 1vle n SER 325 N -4.35 0.19 0.00 1.42 3.41 -0.13 -4.79 113.62 109.38 1vle n SER 325 Ca -0.24 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1vle n SER 325 Cb 0.68 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.77 1vle n SER 325 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vle n GLY 326 N 1.51 0.68 3.70 5.00 0.00 0.25 -1.48 105.19 114.85 1vle n GLY 326 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1vle n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vle s VAL 327 N -2.64 4.97 -0.06 1.61 1.01 -1.25 -4.99 120.40 119.05 1vle s VAL 327 Ca 0.00 1.56 -0.38 0.00 0.00 0.00 0.00 61.98 63.16 1vle s VAL 327 Cb 0.00 -4.10 -0.16 0.00 0.00 0.00 0.00 36.38 32.12 1vle s VAL 327 CO 0.00 0.16 1.52 -2.65 0.00 0.00 0.00 175.10 174.13 1vle n PRO 328 N 4.35 1.22 -0.22 2.72 -0.02 -1.26 -4.12 135.00 137.66 1vle n PRO 328 Ca 0.01 0.44 0.01 0.00 -2.02 0.00 0.00 63.50 61.95 1vle n PRO 328 Cb 0.50 -2.11 0.13 0.00 -0.02 0.00 0.00 33.50 32.00 1vle n PRO 328 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vle h ALA 329 N 5.78 0.89 -0.96 3.55 0.00 -1.93 -1.40 119.26 125.19 1vle h ALA 329 Ca -0.47 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1vle h ALA 329 Cb 1.32 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1vle h ALA 329 CO 0.86 -0.17 0.61 0.00 0.00 0.00 0.00 179.25 180.55 1vle h GLU 331 N 1.13 0.81 -0.58 0.00 5.08 -1.65 0.23 114.58 119.60 1vle h GLU 331 Ca 0.41 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1vle h GLU 331 Cb 0.13 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1vle h GLU 331 CO -0.16 0.98 0.23 0.82 -1.00 0.00 0.00 179.01 179.88 1vle h ILE 332 N 0.69 1.23 -0.41 3.13 2.04 -0.56 -1.38 117.51 122.24 1vle h ILE 332 Ca 0.08 -0.70 -0.12 0.00 1.00 0.00 0.00 64.86 65.12 1vle h ILE 332 Cb 0.81 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1vle h ILE 332 CO 0.07 0.27 -0.23 -0.09 0.00 0.00 0.00 178.15 178.18 1vle h ARG 333 N 0.80 0.82 -0.72 2.37 2.43 -0.96 -1.40 114.38 117.72 1vle h ARG 333 Ca 0.19 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1vle h ARG 333 Cb 0.20 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1vle h ARG 333 CO -0.02 0.97 0.39 0.00 -1.51 0.00 0.00 179.97 179.80 1vle h ALA 334 N 1.03 0.92 -0.46 2.80 0.00 -0.66 -0.30 119.26 122.60 1vle h ALA 334 Ca 0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1vle h ALA 334 Cb 0.75 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1vle h ALA 334 CO 0.06 0.44 0.03 1.25 0.00 0.00 0.00 179.25 181.03 1vle h LEU 335 N 0.99 0.77 -0.68 0.00 5.85 -1.05 -1.00 115.31 120.20 1vle h LEU 335 Ca 0.25 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1vle h LEU 335 Cb 0.04 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1vle h LEU 335 CO -0.04 0.87 0.38 0.00 -0.34 0.00 0.00 178.44 179.30 1vle h ALA 336 N 0.93 0.87 -0.44 1.25 0.00 -0.84 0.38 119.26 121.41 1vle h ALA 336 Ca 0.13 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1vle h ALA 336 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1vle h ALA 336 CO 0.02 0.38 -0.10 0.00 0.00 0.00 0.00 179.25 179.55 1vle h ARG 337 N 0.93 0.85 -0.22 0.00 3.08 -0.93 -1.39 114.38 116.70 1vle h ARG 337 Ca 0.24 -0.32 -0.18 0.00 0.07 0.00 0.00 59.98 59.79 1vle h ARG 337 Cb 0.03 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1vle h ARG 337 CO -0.04 0.96 -0.58 0.37 -1.07 0.00 0.00 179.97 179.61 1vle h GLN 338 N 0.68 0.70 -0.80 0.04 5.75 -0.93 -2.47 115.11 118.08 1vle h GLN 338 Ca 0.11 -0.46 -0.01 0.00 -0.15 0.00 0.00 58.65 58.14 1vle h GLN 338 Cb 0.64 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.21 1vle h GLN 338 CO 0.04 1.08 0.45 2.35 -2.65 0.00 0.00 178.83 180.10 1vle h TRP 339 N 0.53 1.08 -0.39 3.99 2.91 -0.16 -1.78 115.95 122.14 1vle h TRP 339 Ca 0.00 -0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.92 1vle h TRP 339 Cb 1.16 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 29.44 1vle h TRP 339 CO 0.06 0.75 -0.07 0.00 -1.03 0.00 0.00 178.44 178.14 1vle h ALA 340 N 1.24 0.53 -0.01 2.65 0.00 -1.11 -3.30 119.26 119.26 1vle h ALA 340 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1vle h ALA 340 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1vle h ALA 340 CO -0.05 0.37 -0.27 0.36 0.00 0.00 0.00 179.25 179.66 1vle n LYS 341 N -4.38 0.69 -4.36 0.00 2.85 -0.94 -4.91 118.16 107.10 1vle n LYS 341 Ca -0.01 -0.39 -0.24 0.00 -1.05 0.00 0.00 58.31 56.62 1vle n LYS 341 Cb 0.34 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 33.14 1vle n LYS 341 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1vle s LYS 342 N -2.58 2.05 -0.68 -1.58 -0.14 -0.68 -5.04 119.74 111.09 1vle s LYS 342 Ca 0.23 -1.53 -0.26 0.00 -1.36 0.00 0.00 55.97 53.04 1vle s LYS 342 Cb 0.19 -2.02 -0.00 0.00 -1.68 0.00 0.00 37.83 34.32 1vle s LYS 342 CO 0.54 0.36 1.65 -0.80 -0.76 0.00 0.00 175.35 176.34 1vle s ASN 343 N -3.54 5.61 -0.13 2.83 0.01 -1.26 -4.84 114.94 113.61 1vle s ASN 343 Ca 0.30 -0.04 -0.00 0.00 -0.71 0.00 0.00 52.86 52.41 1vle s ASN 343 Cb -0.06 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 1vle s ASN 343 CO 0.18 -2.18 -0.12 -0.89 -1.51 0.00 0.00 177.10 172.57 1vle s THR 344 N 7.85 3.17 -0.14 1.60 2.01 -0.97 -1.33 115.64 127.83 1vle s THR 344 Ca 0.55 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 1vle s THR 344 Cb -0.10 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1vle s THR 344 CO 0.17 0.52 0.06 -0.31 -0.69 0.00 0.00 174.62 174.37 1vle s TYR 345 N 0.28 3.30 -0.44 4.92 1.51 -0.75 -3.83 117.35 122.33 1vle s TYR 345 Ca -0.09 0.20 -0.20 0.00 -1.01 0.00 0.00 57.07 55.97 1vle s TYR 345 Cb -0.15 -1.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1vle s TYR 345 CO 0.05 0.37 0.62 -1.17 -1.11 0.00 0.00 175.55 174.31 1vle s LEU 346 N -0.29 4.55 -1.23 -1.29 2.96 -0.03 -1.41 118.68 121.95 1vle s LEU 346 Ca 0.08 -0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 53.48 1vle s LEU 346 Cb -0.12 -2.69 0.18 0.00 0.50 0.00 0.00 46.19 44.06 1vle s LEU 346 CO 0.02 -0.76 1.57 0.00 -1.32 0.00 0.00 176.35 175.85 1vle n ALA 347 N 6.20 4.43 -2.63 5.97 0.00 0.25 -1.43 120.51 133.30 1vle n ALA 347 Ca -0.02 -4.31 -0.43 0.00 0.00 0.00 0.00 53.44 48.68 1vle n ALA 347 Cb 0.48 -2.98 -0.03 0.00 0.00 0.00 0.00 19.45 16.92 1vle n ALA 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vle s ALA 348 N 0.89 3.51 0.11 0.00 0.00 -1.26 -0.72 121.76 124.28 1vle s ALA 348 Ca 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1vle s ALA 348 Cb 0.01 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1vle s ALA 348 CO 0.00 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 174.79 1vle n GLY 349 N 3.98 -2.18 0.11 0.00 0.00 -0.39 -0.66 105.19 106.05 1vle n GLY 349 Ca 0.09 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 44.83 1vle n GLY 349 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 350 N -2.83 -0.98 0.04 -0.02 0.00 -1.25 -4.10 105.19 96.05 1vle n GLY 350 Ca -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.67 1vle n GLY 350 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vle n LEU 351 N -1.10 0.00 0.00 0.99 7.94 -1.26 -3.67 117.00 119.89 1vle n LEU 351 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 1vle n LEU 351 Cb 0.33 0.19 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1vle n LEU 351 CO 0.30 0.19 0.00 0.61 -1.11 0.00 0.00 177.39 177.37 1vle n GLY 352 N 1.88 0.77 0.00 -3.96 0.00 -1.24 -4.54 105.19 98.10 1vle n GLY 352 Ca -0.14 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1vle n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 353 N 0.00 -0.96 7.00 -0.02 0.00 0.17 -4.21 105.19 107.17 1vle n GLY 353 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1vle n GLY 353 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1vle n TRP 354 N -0.37 -0.50 0.00 1.61 8.01 -1.26 -3.88 117.44 121.04 1vle n TRP 354 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1vle n TRP 354 Cb 0.00 0.12 0.00 0.00 -2.01 0.00 0.00 31.31 29.42 1vle n TRP 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1vle n GLY 355 N 0.00 3.10 0.37 6.99 0.00 -1.26 -3.94 105.19 110.45 1vle n GLY 355 Ca 0.00 -1.43 0.13 0.00 0.00 0.00 0.00 46.02 44.72 1vle n GLY 355 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vle h GLY 356 N 0.00 0.96 1.24 -0.02 0.00 -1.95 0.39 103.07 103.70 1vle h GLY 356 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.15 1vle h GLY 356 CO 0.00 0.09 0.31 0.00 0.00 0.00 0.00 176.54 176.94 1vle h ALA 357 N 1.62 1.84 0.00 3.60 0.00 -1.89 -1.18 119.26 123.25 1vle h ALA 357 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1vle h ALA 357 Cb 0.72 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1vle h ALA 357 CO -0.16 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.66 1vle n ARG 359 N -3.07 2.71 -3.93 0.00 1.85 -0.45 0.49 116.66 114.25 1vle n ARG 359 Ca 0.03 -4.60 -0.09 0.00 -1.00 0.00 0.00 57.85 52.19 1vle n ARG 359 Cb 0.48 -2.33 -0.02 0.00 -1.05 0.00 0.00 32.46 29.53 1vle n ARG 359 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vle s ALA 360 N -2.16 -0.44 -0.24 2.89 0.00 -1.24 -1.45 121.76 119.11 1vle s ALA 360 Ca 0.34 -0.81 0.24 0.00 0.00 0.00 0.00 51.96 51.73 1vle s ALA 360 Cb 0.06 0.93 1.19 0.00 0.00 0.00 0.00 23.12 25.30 1vle s ALA 360 CO -0.04 -0.92 1.74 0.66 0.00 0.00 0.00 175.76 177.20 1vle h SER 361 N 2.10 0.00 -0.28 0.00 4.64 -1.84 -1.90 113.55 116.27 1vle h SER 361 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1vle h SER 361 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1vle h SER 361 CO 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 1vle n HIS 362 N -2.35 0.46 -0.30 4.77 1.44 -1.26 -4.50 115.22 113.48 1vle n HIS 362 Ca -0.00 -0.56 0.17 0.00 -2.01 0.00 0.00 57.72 55.32 1vle n HIS 362 Cb 0.13 -0.07 0.44 0.00 0.12 0.00 0.00 29.99 30.61 1vle n HIS 362 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 1vle h GLY 363 N 1.67 1.24 0.76 -1.39 0.00 -1.36 -1.14 103.07 102.85 1vle h GLY 363 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1vle h GLY 363 CO 0.03 -0.04 -0.10 -2.22 0.00 0.00 0.00 176.54 174.21 1vle h ILE 364 N 0.54 0.87 0.00 2.60 2.04 -1.80 -2.06 117.51 119.69 1vle h ILE 364 Ca 0.53 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.85 1vle h ILE 364 Cb 1.13 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1vle h ILE 364 CO -0.26 0.11 -0.30 -0.33 0.00 0.00 0.00 178.15 177.36 1vle h GLU 365 N -0.52 0.00 -0.02 2.37 4.39 -1.82 -1.12 114.58 117.85 1vle h GLU 365 Ca -0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1vle h GLU 365 Cb 0.39 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1vle h GLU 365 CO 0.05 0.30 -0.01 2.35 -1.16 0.00 0.00 179.01 180.54 1vle h TRP 366 N 0.00 0.06 -0.15 4.33 7.01 -1.15 0.92 115.95 126.98 1vle h TRP 366 Ca -0.00 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1vle h TRP 366 Cb 0.71 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.74 1vle h TRP 366 CO 0.00 0.44 0.06 0.00 -2.79 0.00 0.00 178.44 176.14 1vle h ALA 367 N 0.61 0.16 -0.19 2.65 0.00 -1.18 -0.00 119.26 121.31 1vle h ALA 367 Ca 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1vle h ALA 367 Cb 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1vle h ALA 367 CO 0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 179.25 178.68 1vle h ARG 368 N 0.13 0.33 -0.51 0.00 3.08 -1.24 -1.92 114.38 114.25 1vle h ARG 368 Ca 0.06 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1vle h ARG 368 Cb 0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1vle h ARG 368 CO -0.06 0.52 0.05 0.78 -1.07 0.00 0.00 179.97 180.19 1vle h GLY 369 N 0.92 0.90 1.29 0.04 0.00 -0.12 0.46 103.07 106.56 1vle h GLY 369 Ca 0.05 -0.58 -0.15 0.00 0.00 0.00 0.00 47.33 46.66 1vle h GLY 369 CO 0.03 0.54 -0.40 -0.33 0.00 0.00 0.00 176.54 176.38 1vle h MET 370 N 0.79 0.77 -0.46 4.80 2.86 -0.46 -2.10 114.93 121.13 1vle h MET 370 Ca 0.16 -0.40 -0.05 0.00 -2.06 0.00 0.00 59.70 57.35 1vle h MET 370 Cb 0.41 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1vle h MET 370 CO 0.01 1.03 0.10 0.82 1.06 0.00 0.00 176.91 179.93 1vle h ILE 371 N 0.63 1.24 -0.11 -1.22 2.04 -1.00 -1.74 117.51 117.36 1vle h ILE 371 Ca 0.05 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1vle h ILE 371 Cb 0.95 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1vle h ILE 371 CO 0.09 0.30 -0.01 0.00 0.00 0.00 0.00 178.15 178.53 1vle h ALA 372 N 0.97 0.08 0.41 1.87 0.00 -0.77 0.59 119.26 122.42 1vle h ALA 372 Ca 0.14 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1vle h ALA 372 Cb 0.35 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1vle h ALA 372 CO 0.00 -0.47 -0.20 -0.07 0.00 0.00 0.00 179.25 178.51 1vle h LEU 373 N 0.02 -0.47 -1.40 0.00 4.07 -1.31 0.61 115.31 116.83 1vle h LEU 373 Ca 0.05 -0.04 0.09 0.00 0.08 0.00 0.00 57.88 58.06 1vle h LEU 373 Cb 0.07 0.12 -0.05 0.00 1.08 0.00 0.00 40.66 41.88 1vle h LEU 373 CO -0.10 -0.26 0.49 0.00 -1.08 0.00 0.00 178.44 177.49 1vle h ALA 374 N -0.10 1.78 0.04 1.53 0.00 -1.26 -2.20 119.26 119.06 1vle h ALA 374 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1vle h ALA 374 Cb 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1vle h ALA 374 CO 0.09 0.08 -0.02 1.15 0.00 0.00 0.00 179.25 180.55 1vle h THR 375 N 0.69 1.18 -0.15 0.00 2.02 -0.56 -1.47 112.91 114.63 1vle h THR 375 Ca 0.33 -0.73 0.04 0.00 0.77 0.00 0.00 66.41 66.83 1vle h THR 375 Cb 0.40 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1vle h THR 375 CO -0.12 0.18 0.16 0.24 0.37 0.00 0.00 175.52 176.36 1vle h MET 376 N -0.38 0.00 -0.49 6.66 2.07 -0.29 0.11 114.93 122.62 1vle h MET 376 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1vle h MET 376 Cb 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.07 1vle h MET 376 CO 0.01 0.00 0.00 1.04 1.07 0.00 0.00 176.91 179.03 1vle n GLN 377 N -3.87 2.33 -2.49 1.72 1.13 -0.91 -1.22 117.38 114.08 1vle n GLN 377 Ca 0.01 -2.05 -0.08 0.00 -1.94 0.00 0.00 57.00 52.94 1vle n GLN 377 Cb 0.27 -1.47 0.04 0.00 0.11 0.00 0.00 30.24 29.19 1vle n GLN 377 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vle n GLY 378 N 1.43 -0.18 3.74 1.08 0.00 0.39 -4.79 105.19 106.84 1vle n GLY 378 Ca 0.19 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1vle n GLY 378 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1vle n MET 379 N -2.47 2.54 0.00 1.61 0.00 -0.58 -2.85 117.12 115.37 1vle n MET 379 Ca -0.05 0.90 0.00 0.00 0.00 0.00 0.00 57.70 58.55 1vle n MET 379 Cb 0.57 -2.63 0.00 0.00 0.00 0.00 0.00 33.22 31.16 1vle n MET 379 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vle n GLY 380 N 1.64 1.35 3.86 3.17 0.00 -0.11 -4.45 105.19 110.65 1vle n GLY 380 Ca 0.07 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1vle n GLY 380 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vle s LYS 381 N 0.00 3.79 0.16 1.61 -2.85 -1.13 -3.94 119.74 117.38 1vle s LYS 381 Ca 0.00 0.80 -0.34 0.00 -1.00 0.00 0.00 55.97 55.43 1vle s LYS 381 Cb 0.00 -2.15 -0.15 0.00 -2.06 0.00 0.00 37.83 33.47 1vle s LYS 381 CO 0.00 -0.35 1.37 -2.30 0.10 0.00 0.00 175.35 174.17 1vle n PRO 382 N -2.01 1.61 -1.00 1.78 -0.02 -1.26 -1.38 135.00 132.72 1vle n PRO 382 Ca 0.06 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1vle n PRO 382 Cb 0.54 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1vle n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vle n GLY 383 N 2.52 0.98 2.85 -1.23 0.00 -1.26 -4.99 105.19 104.05 1vle n GLY 383 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1vle n GLY 383 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vle s SER 384 N -2.96 0.78 -0.04 1.61 0.15 -0.48 -2.29 113.70 110.46 1vle s SER 384 Ca 0.00 0.31 -0.28 0.00 0.70 0.00 0.00 55.95 56.68 1vle s SER 384 Cb 0.00 0.33 0.09 0.00 -1.71 0.00 0.00 66.02 64.73 1vle s SER 384 CO 0.00 -0.25 1.28 -3.20 1.20 0.00 0.00 173.24 172.27 1vle n ASN 385 N 5.33 -1.11 -4.47 5.45 2.85 -1.25 -0.93 115.26 121.12 1vle n ASN 385 Ca -0.05 -1.17 -0.40 0.00 -0.11 0.00 0.00 54.58 52.85 1vle n ASN 385 Cb 0.50 1.71 -0.11 0.00 1.24 0.00 0.00 39.78 43.12 1vle n ASN 385 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1vle s MET 386 N -2.01 3.35 -0.17 1.20 0.00 -1.26 -0.85 119.30 119.55 1vle s MET 386 Ca 0.30 -0.73 -0.09 0.00 0.00 0.00 0.00 55.69 55.18 1vle s MET 386 Cb -0.01 -3.69 0.06 0.00 0.00 0.00 0.00 34.83 31.20 1vle s MET 386 CO -0.01 -0.46 0.42 -0.46 0.00 0.00 0.00 175.02 174.50 1vle s TRP 387 N 1.65 -0.63 -1.74 4.11 -0.00 -0.51 -4.89 118.94 116.93 1vle s TRP 387 Ca 0.05 1.33 0.21 0.00 -0.00 0.00 0.00 56.10 57.68 1vle s TRP 387 Cb -0.17 0.28 0.62 0.00 -0.00 0.00 0.00 33.47 34.19 1vle s TRP 387 CO 0.08 -0.36 1.52 0.43 -0.00 0.00 0.00 176.95 178.62 1vle n SER 388 N 4.38 3.93 0.00 5.86 7.64 -1.26 -2.93 113.62 131.24 1vle n SER 388 Ca -0.22 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.61 1vle n SER 388 Cb 0.55 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1vle n SER 388 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1vle n THR 389 N 1.45 0.00 -0.11 0.44 -2.24 -1.26 -4.85 114.28 107.71 1vle n THR 389 Ca 0.23 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1vle n THR 389 Cb 0.63 -0.54 -0.15 0.00 -2.10 0.00 0.00 70.33 68.17 1vle n THR 389 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vle n THR 390 N -2.32 1.42 -3.55 4.28 -2.24 -1.26 -4.87 114.28 105.74 1vle n THR 390 Ca 0.00 -0.79 -0.06 0.00 -2.27 0.00 0.00 64.05 60.92 1vle n THR 390 Cb 0.24 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1vle n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vle n GLN 391 N -2.87 1.26 -0.45 -0.78 6.02 -1.26 -4.19 117.38 115.11 1vle n GLN 391 Ca -0.36 -0.86 0.00 0.00 -0.01 0.00 0.00 57.00 55.77 1vle n GLN 391 Cb 1.12 0.08 0.00 0.00 1.02 0.00 0.00 30.24 32.46 1vle n GLN 391 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vle n GLY 392 N 3.31 0.73 3.74 1.08 0.00 -1.23 -4.39 105.19 108.44 1vle n GLY 392 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1vle n GLY 392 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vle s VAL 393 N -2.72 2.62 0.00 1.61 1.01 -1.18 -2.03 120.40 119.71 1vle s VAL 393 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1vle s VAL 393 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1vle s VAL 393 CO 0.00 0.07 0.28 -2.65 0.00 0.00 0.00 175.10 172.80 1vle n PRO 394 N 2.65 0.16 -1.31 2.72 -0.02 -1.26 -4.69 135.00 133.25 1vle n PRO 394 Ca 0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.26 1vle n PRO 394 Cb 0.40 -1.42 0.11 0.00 -0.02 0.00 0.00 33.50 32.57 1vle n PRO 394 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1vle s LEU 395 N 0.00 2.59 -0.83 2.45 1.43 -1.26 -4.75 118.68 118.32 1vle s LEU 395 Ca 0.00 1.56 -0.25 0.00 -1.03 0.00 0.00 54.13 54.41 1vle s LEU 395 Cb 0.00 -4.12 0.01 0.00 0.03 0.00 0.00 46.19 42.11 1vle s LEU 395 CO 0.00 -2.27 1.62 -0.62 0.23 0.00 0.00 176.35 175.30 1vle s ASP 396 N -3.52 5.81 0.37 2.29 3.68 -1.26 -4.82 116.67 119.22 1vle s ASP 396 Ca 0.62 -0.60 0.27 0.00 2.13 0.00 0.00 52.55 54.97 1vle s ASP 396 Cb -0.17 -2.56 1.25 0.00 -1.45 0.00 0.00 42.92 40.00 1vle s ASP 396 CO 0.56 -2.09 1.81 1.88 0.13 0.00 0.00 175.17 177.47 1vle h TYR 397 N 11.38 0.00 -0.05 -5.34 0.99 -1.96 -2.77 116.97 119.23 1vle h TYR 397 Ca -0.05 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.49 1vle h TYR 397 Cb 1.05 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.78 1vle h TYR 397 CO 1.17 0.00 -0.77 0.93 -0.00 0.00 0.00 178.16 179.49 1vle h GLU 398 N 0.00 0.32 -6.77 4.88 5.08 -2.02 -3.44 114.58 112.64 1vle h GLU 398 Ca 0.00 -0.28 -0.52 0.00 -1.00 0.00 0.00 59.36 57.55 1vle h GLU 398 Cb 0.25 0.07 0.05 0.00 0.50 0.00 0.00 28.75 29.62 1vle h GLU 398 CO 0.00 0.94 0.68 0.12 -1.00 0.00 0.00 179.01 179.75 1vle s PHE 399 N -3.49 3.12 -0.20 4.33 5.36 -1.05 -5.00 117.98 121.05 1vle s PHE 399 Ca -0.05 1.22 -0.03 0.00 -0.96 0.00 0.00 56.93 57.12 1vle s PHE 399 Cb 0.10 -3.69 -0.01 0.00 -0.34 0.00 0.00 43.02 39.08 1vle s PHE 399 CO 0.83 -2.11 -0.06 -0.47 -1.46 0.00 0.00 175.22 171.95 1vle s TYR 400 N -0.34 2.94 -0.09 10.12 5.04 -1.26 -5.04 117.35 128.71 1vle s TYR 400 Ca 0.55 -0.88 -0.04 0.00 -2.44 0.00 0.00 57.07 54.26 1vle s TYR 400 Cb -0.39 -2.06 0.05 0.00 0.35 0.00 0.00 41.96 39.91 1vle s TYR 400 CO 0.44 -0.48 0.19 0.12 -1.34 0.00 0.00 175.55 174.49 1vle s PHE 401 N 1.25 -0.25 0.45 4.97 5.36 -1.26 -1.31 117.98 127.19 1vle s PHE 401 Ca 0.03 0.67 -0.25 0.00 -0.96 0.00 0.00 56.93 56.42 1vle s PHE 401 Cb -0.14 -0.09 -0.08 0.00 -0.34 0.00 0.00 43.02 42.37 1vle s PHE 401 CO -0.02 -0.24 1.40 -2.14 -1.46 0.00 0.00 175.22 172.76 1vle s PRO 402 N 1.67 3.72 0.57 10.12 0.02 -1.26 -5.04 135.00 144.79 1vle s PRO 402 Ca -0.05 2.36 -0.03 0.00 0.02 0.00 0.00 61.00 63.30 1vle s PRO 402 Cb -0.11 -2.66 0.02 0.00 0.02 0.00 0.00 34.50 31.77 1vle s PRO 402 CO -0.07 -0.77 0.84 0.20 -0.33 0.00 0.00 177.00 176.87 1vle s GLY 403 N -0.57 1.65 0.49 0.52 0.00 -1.26 -4.77 107.32 103.38 1vle s GLY 403 Ca 0.61 -0.96 0.18 0.00 0.00 0.00 0.00 44.72 44.55 1vle s GLY 403 CO 0.54 -0.68 2.06 0.10 0.00 0.00 0.00 173.10 175.12 1vle h TYR 404 N -0.05 0.00 0.00 1.90 -0.00 -1.21 -2.28 116.97 115.32 1vle h TYR 404 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 1vle h TYR 404 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.00 1vle h TYR 404 CO 0.42 0.12 0.00 0.00 -0.00 0.00 0.00 178.16 178.70 1vle n ALA 405 N -2.47 1.54 1.58 0.10 0.00 -0.55 -2.94 120.51 117.77 1vle n ALA 405 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1vle n ALA 405 Cb 0.20 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1vle n ALA 405 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vle n GLU 406 N -1.71 0.82 0.00 0.00 1.02 -0.86 -0.85 120.64 119.06 1vle n GLU 406 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1vle n GLU 406 Cb 0.15 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1vle n GLU 406 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vle n GLY 407 N 0.30 1.85 7.00 0.62 0.00 -1.15 -2.86 105.19 110.95 1vle n GLY 407 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vle n GLY 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 408 N -2.00 2.75 0.22 -0.02 0.00 -1.26 -1.12 105.19 103.76 1vle n GLY 408 Ca 0.00 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1vle n GLY 408 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vle n ILE 409 N 0.00 0.02 0.04 -0.61 -5.35 -1.26 -4.00 119.36 108.20 1vle n ILE 409 Ca 0.00 -0.12 -0.22 0.00 -0.27 0.00 0.00 62.75 62.14 1vle n ILE 409 Cb 0.00 -0.05 -0.14 0.00 -1.74 0.00 0.00 39.64 37.71 1vle n ILE 409 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1vle h SER 410 N 1.00 0.48 -1.04 7.28 4.64 -1.15 -3.43 113.55 121.34 1vle h SER 410 Ca 0.00 -0.89 -0.25 0.00 -0.47 0.00 0.00 61.79 60.17 1vle h SER 410 Cb 0.21 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.08 1vle h SER 410 CO 0.00 1.65 -0.27 0.61 -0.87 0.00 0.00 176.83 177.95 1vle n GLY 411 N 1.77 0.80 3.55 -0.77 0.00 -1.22 0.72 105.19 110.03 1vle n GLY 411 Ca -0.23 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1vle n GLY 411 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vle s ASP 412 N -2.71 5.39 0.25 1.61 -1.08 -1.26 -4.59 116.67 114.27 1vle s ASP 412 Ca 0.00 -0.00 0.19 0.00 -0.52 0.00 0.00 52.55 52.22 1vle s ASP 412 Cb 0.00 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.87 1vle s ASP 412 CO 0.00 -2.36 1.59 0.00 0.52 0.00 0.00 175.17 174.92 1vle n GLU 414 N -2.12 2.01 -0.38 0.00 2.13 -1.26 -4.53 120.64 116.49 1vle n GLU 414 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 1vle n GLU 414 Cb 0.10 -1.28 0.28 0.00 0.27 0.00 0.00 31.44 30.80 1vle n GLU 414 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1vle n ASN 415 N -2.46 3.85 -3.86 4.31 3.02 -1.20 -4.95 115.26 113.97 1vle n ASN 415 Ca -0.19 -2.19 -0.09 0.00 -0.03 0.00 0.00 54.58 52.08 1vle n ASN 415 Cb 0.85 -0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 39.53 1vle n ASN 415 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1vle s SER 416 N -1.05 -0.13 -0.10 6.41 1.04 -0.92 -5.01 113.70 113.95 1vle s SER 416 Ca 0.41 -0.69 0.03 0.00 0.48 0.00 0.00 55.95 56.18 1vle s SER 416 Cb 0.24 0.53 0.23 0.00 0.10 0.00 0.00 66.02 67.12 1vle s SER 416 CO 0.24 -1.02 1.04 0.00 0.98 0.00 0.00 173.24 174.49 1vle n ALA 417 N -0.30 3.14 -0.13 5.32 0.00 -0.03 -4.34 120.51 124.17 1vle n ALA 417 Ca -0.08 -0.70 0.07 0.00 0.00 0.00 0.00 53.44 52.73 1vle n ALA 417 Cb 0.62 -1.08 0.40 0.00 0.00 0.00 0.00 19.45 19.39 1vle n ALA 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vle h ALA 418 N 2.23 1.77 0.00 0.00 0.00 -1.72 -2.34 119.26 119.21 1vle h ALA 418 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1vle h ALA 418 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1vle h ALA 418 CO 0.23 0.13 0.00 0.78 0.00 0.00 0.00 179.25 180.39 1vle h GLY 419 N 0.65 0.00 0.71 0.00 0.00 -1.80 -0.08 103.07 102.55 1vle h GLY 419 Ca 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 1vle h GLY 419 CO -0.08 0.00 -0.06 -2.75 0.00 0.00 0.00 176.54 173.65 1vle h PHE 420 N 0.00 0.28 0.00 5.60 3.57 -1.77 -3.46 116.94 121.16 1vle h PHE 420 Ca 0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1vle h PHE 420 Cb 0.22 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1vle h PHE 420 CO 0.00 0.59 0.00 1.17 -2.23 0.00 0.00 178.31 177.84 1vle n LYS 421 N -4.69 0.00 -0.21 1.11 4.81 -1.21 -5.00 118.16 112.97 1vle n LYS 421 Ca -0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.29 1vle n LYS 421 Cb 0.28 -0.06 0.04 0.00 0.02 0.00 0.00 35.03 35.31 1vle n LYS 421 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1vle h PHE 422 N 0.00 1.16 -1.00 5.64 3.57 -1.81 -3.09 116.94 121.40 1vle h PHE 422 Ca 0.00 -0.20 0.02 0.00 3.53 0.00 0.00 57.97 61.32 1vle h PHE 422 Cb 0.00 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.38 1vle h PHE 422 CO 0.00 1.02 0.66 0.00 -2.23 0.00 0.00 178.31 177.76 1vle h ALA 423 N 1.02 1.29 0.00 2.41 0.00 -1.29 0.28 119.26 122.97 1vle h ALA 423 Ca 0.18 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1vle h ALA 423 Cb 0.55 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1vle h ALA 423 CO 0.03 0.63 -0.24 -1.49 0.00 0.00 0.00 179.25 178.18 1vle h TRP 424 N 1.33 0.00 0.14 0.00 4.06 -1.76 -1.93 115.95 117.79 1vle h TRP 424 Ca 0.38 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.97 1vle h TRP 424 Cb -0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 1vle h TRP 424 CO -0.00 0.24 -1.93 0.00 -3.56 0.00 0.00 178.44 173.19 1vle h ARG 425 N 0.00 0.30 -0.31 0.49 3.08 -1.25 -3.40 114.38 113.29 1vle h ARG 425 Ca -0.00 -0.51 -0.16 0.00 0.07 0.00 0.00 59.98 59.37 1vle h ARG 425 Cb 0.54 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 1vle h ARG 425 CO 0.03 1.24 -0.44 1.98 -1.07 0.00 0.00 179.97 181.71 1vle h MET 426 N 0.08 0.85 -6.32 0.04 4.05 -0.40 -3.45 114.93 109.78 1vle h MET 426 Ca -0.40 -0.50 -0.64 0.00 -0.28 0.00 0.00 59.70 57.88 1vle h MET 426 Cb 2.05 0.04 -0.11 0.00 -0.80 0.00 0.00 31.60 32.79 1vle h MET 426 CO 0.11 1.13 -0.65 -0.06 0.23 0.00 0.00 176.91 177.68 1vle s PHE 427 N -4.24 3.01 0.00 1.39 0.40 -0.73 -4.96 117.98 112.86 1vle s PHE 427 Ca -0.11 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1vle s PHE 427 Cb 0.10 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 42.10 1vle s PHE 427 CO 0.87 0.49 0.73 -0.40 0.70 0.00 0.00 175.22 177.61 1vle n ASP 428 N 0.42 1.46 -2.30 1.36 5.68 -1.25 -4.74 116.55 117.18 1vle n ASP 428 Ca -0.10 -1.46 -0.19 0.00 -0.50 0.00 0.00 54.79 52.54 1vle n ASP 428 Cb 0.52 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.49 1vle n ASP 428 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vle n GLY 429 N -0.23 -0.20 2.02 6.12 0.00 -1.25 -4.71 105.19 106.93 1vle n GLY 429 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vle n GLY 429 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vle n LYS 430 N -2.87 0.00 -0.03 1.61 5.02 -1.26 -5.01 118.16 115.62 1vle n LYS 430 Ca -0.22 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.05 1vle n LYS 430 Cb 0.66 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.61 1vle n LYS 430 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1vle n THR 431 N -2.96 0.46 -4.66 -0.18 -2.24 -1.26 -5.02 114.28 98.43 1vle n THR 431 Ca 0.00 -0.31 -0.23 0.00 -2.27 0.00 0.00 64.05 61.24 1vle n THR 431 Cb 0.00 -0.65 -0.15 0.00 -2.10 0.00 0.00 70.33 67.43 1vle n THR 431 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1vle s THR 432 N -2.24 1.14 0.07 4.28 -1.32 -1.26 -5.08 115.64 111.24 1vle s THR 432 Ca -0.04 -0.59 0.06 0.00 -1.21 0.00 0.00 61.69 59.91 1vle s THR 432 Cb 0.03 -0.97 -0.03 0.00 -1.51 0.00 0.00 72.50 70.01 1vle s THR 432 CO 0.32 0.33 -0.16 -0.36 -2.21 0.00 0.00 174.62 172.55 1vle s PHE 433 N -0.11 1.35 1.16 9.09 0.40 -1.26 -3.77 117.98 124.83 1vle s PHE 433 Ca 0.01 -0.42 -0.17 0.00 -0.60 0.00 0.00 56.93 55.74 1vle s PHE 433 Cb -0.08 -0.77 0.26 0.00 0.51 0.00 0.00 43.02 42.95 1vle s PHE 433 CO 0.00 0.08 1.10 -2.14 0.70 0.00 0.00 175.22 174.97 1vle s PRO 434 N -1.59 -0.84 -0.45 0.24 0.02 -1.26 -5.00 135.00 126.12 1vle s PRO 434 Ca 0.01 0.08 0.02 0.00 0.02 0.00 0.00 61.00 61.13 1vle s PRO 434 Cb -0.09 -1.63 0.14 0.00 0.02 0.00 0.00 34.50 32.94 1vle s PRO 434 CO 0.02 -3.49 0.27 0.45 -0.33 0.00 0.00 177.00 173.93 1vle s SER 435 N -3.77 3.39 0.76 2.53 0.15 0.22 -5.00 113.70 111.98 1vle s SER 435 Ca 0.69 -2.74 -0.11 0.00 0.70 0.00 0.00 55.95 54.50 1vle s SER 435 Cb -0.12 -0.93 0.05 0.00 -1.71 0.00 0.00 66.02 63.30 1vle s SER 435 CO 0.56 -0.24 1.08 -2.84 1.20 0.00 0.00 173.24 173.01 1vle s PRO 436 N 0.24 2.40 -0.13 5.44 0.02 -1.26 -4.47 135.00 137.24 1vle s PRO 436 Ca 0.20 0.74 0.00 0.00 0.02 0.00 0.00 61.00 61.97 1vle s PRO 436 Cb -0.19 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.41 1vle s PRO 436 CO -0.04 -1.42 -0.11 0.45 -0.33 0.00 0.00 177.00 175.55 1vle s SER 437 N -3.88 2.39 0.00 2.53 0.15 -1.26 -4.69 113.70 108.93 1vle s SER 437 Ca 0.60 -0.38 0.14 0.00 0.70 0.00 0.00 55.95 57.01 1vle s SER 437 Cb -0.14 -0.99 0.42 0.00 -1.71 0.00 0.00 66.02 63.60 1vle s SER 437 CO 0.54 -0.08 1.34 -0.46 1.20 0.00 0.00 173.24 175.79 1vle n ASN 438 N 4.79 2.19 -0.04 5.45 6.94 -1.26 -4.02 115.26 129.31 1vle n ASN 438 Ca -0.15 -1.96 -0.06 0.00 -0.02 0.00 0.00 54.58 52.39 1vle n ASN 438 Cb 0.50 -0.26 -0.04 0.00 -2.36 0.00 0.00 39.78 37.63 1vle n ASN 438 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1vle n LEU 439 N 0.69 2.54 -3.54 -4.53 4.77 -1.26 -4.71 117.00 110.96 1vle n LEU 439 Ca 0.14 -0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.70 1vle n LEU 439 Cb 0.36 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1vle n LEU 439 CO 0.10 0.55 2.90 -3.20 -1.33 0.00 0.00 177.39 176.41 1vle n ASN 440 N -2.86 6.43 -3.93 -1.43 5.15 -1.26 -1.86 115.26 115.50 1vle n ASN 440 Ca -0.15 -2.78 -0.09 0.00 -0.60 0.00 0.00 54.58 50.96 1vle n ASN 440 Cb 0.65 -1.57 -0.07 0.00 -0.53 0.00 0.00 39.78 38.25 1vle n ASN 440 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1vle s THR 441 N 2.11 0.08 0.32 -0.44 -1.32 -1.26 -4.81 115.64 110.31 1vle s THR 441 Ca 0.57 -1.32 0.02 0.00 -1.21 0.00 0.00 61.69 59.75 1vle s THR 441 Cb 0.16 -1.74 0.28 0.00 -1.51 0.00 0.00 72.50 69.69 1vle s THR 441 CO -0.07 -0.35 1.93 0.28 -2.21 0.00 0.00 174.62 174.20 1vle h SER 442 N 2.57 0.83 -0.14 8.08 0.02 -1.98 -0.81 113.55 122.12 1vle h SER 442 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1vle h SER 442 Cb 1.22 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1vle h SER 442 CO 0.49 0.54 0.00 0.00 -1.14 0.00 0.00 176.83 176.72 1vle n ALA 443 N -2.41 2.53 -2.28 3.77 0.00 -1.26 -4.78 120.51 116.07 1vle n ALA 443 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1vle n ALA 443 Cb 0.20 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1vle n ALA 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vle n GLY 444 N 0.98 2.63 2.90 0.00 0.00 -0.31 -5.03 105.19 106.35 1vle n GLY 444 Ca 0.13 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.48 1vle n GLY 444 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vle s GLN 445 N 4.88 0.43 0.17 1.61 0.74 -0.78 -4.83 119.66 121.88 1vle s GLN 445 Ca 0.00 -0.08 -0.13 0.00 0.05 0.00 0.00 55.36 55.21 1vle s GLN 445 Cb 0.00 -0.48 0.01 0.00 1.10 0.00 0.00 33.01 33.64 1vle s GLN 445 CO 0.00 -0.01 0.38 -3.38 -0.55 0.00 0.00 175.29 171.73 1vle s HIS 446 N 0.42 0.17 0.06 1.67 -3.43 -1.26 -4.03 115.29 108.88 1vle s HIS 446 Ca -0.04 -0.53 0.02 0.00 -0.80 0.00 0.00 55.06 53.71 1vle s HIS 446 Cb -0.08 0.13 -0.03 0.00 -1.43 0.00 0.00 32.58 31.18 1vle s HIS 446 CO -0.01 -0.79 -0.08 0.96 -2.00 0.00 0.00 174.74 172.82 1vle s ILE 447 N -3.92 0.60 0.21 -5.38 -4.36 -0.79 -4.87 121.20 102.69 1vle s ILE 447 Ca 0.13 -1.32 -0.30 0.00 -0.26 0.00 0.00 60.65 58.91 1vle s ILE 447 Cb 0.02 -0.91 -0.09 0.00 1.25 0.00 0.00 42.46 42.73 1vle s ILE 447 CO -0.02 -0.51 1.24 -2.84 0.24 0.00 0.00 174.94 173.06 1vle s PRO 448 N -2.19 4.45 0.27 0.37 0.02 -1.26 -1.32 135.00 135.33 1vle s PRO 448 Ca -0.04 1.97 -0.02 0.00 0.02 0.00 0.00 61.00 62.93 1vle s PRO 448 Cb -0.06 -3.20 0.41 0.00 0.02 0.00 0.00 34.50 31.67 1vle s PRO 448 CO -0.01 -0.14 1.89 -0.09 -0.33 0.00 0.00 177.00 178.32 1vle h ARG 449 N 4.98 1.15 0.00 5.54 2.43 -1.47 -1.73 114.38 125.28 1vle h ARG 449 Ca -0.45 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1vle h ARG 449 Cb 1.21 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1vle h ARG 449 CO 0.74 0.76 0.00 1.28 -1.51 0.00 0.00 179.97 181.24 1vle n LEU 450 N -4.49 0.38 -0.71 3.80 4.77 -1.26 -3.04 117.00 116.44 1vle n LEU 450 Ca 0.15 0.62 0.05 0.00 -0.03 0.00 0.00 56.01 56.80 1vle n LEU 450 Cb 0.17 -0.60 0.11 0.00 -2.33 0.00 0.00 43.42 40.77 1vle n LEU 450 CO 0.33 -0.55 0.30 0.29 -1.33 0.00 0.00 177.39 176.43 1vle n LYS 451 N -1.95 0.82 -0.18 3.23 4.76 -0.68 -4.81 118.16 119.36 1vle n LYS 451 Ca 0.01 -2.40 -0.04 0.00 -2.87 0.00 0.00 58.31 53.01 1vle n LYS 451 Cb 0.14 -0.96 0.06 0.00 -1.84 0.00 0.00 35.03 32.43 1vle n LYS 451 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1vle h ILE 452 N 3.45 0.98 -0.99 -0.18 2.04 -1.41 -1.75 117.51 119.66 1vle h ILE 452 Ca -0.06 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.68 1vle h ILE 452 Cb 1.31 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 1vle h ILE 452 CO 0.03 0.10 0.64 -0.65 0.00 0.00 0.00 178.15 178.26 1vle h PRO 453 N 0.56 1.09 -0.33 2.37 0.11 -1.87 -0.73 132.00 133.20 1vle h PRO 453 Ca 0.23 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.15 1vle h PRO 453 Cb 0.11 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 1vle h PRO 453 CO -0.14 0.72 -0.30 0.93 -0.21 0.00 0.00 178.00 178.99 1vle h GLU 454 N 1.12 0.78 -0.47 1.05 3.07 -1.82 -1.26 114.58 117.06 1vle h GLU 454 Ca 0.44 -0.40 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1vle h GLU 454 Cb 0.23 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1vle h GLU 454 CO -0.19 1.03 0.23 0.00 -1.40 0.00 0.00 179.01 178.68 1vle h ILE 456 N 0.61 1.34 0.00 0.00 2.04 -1.13 0.40 117.51 120.78 1vle h ILE 456 Ca 0.16 -1.15 -0.12 0.00 1.00 0.00 0.00 64.86 64.76 1vle h ILE 456 Cb 0.10 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1vle h ILE 456 CO -0.02 0.29 -0.61 0.24 0.00 0.00 0.00 178.15 178.05 1vle h MET 457 N -0.53 0.00 0.00 2.37 2.86 -1.26 -3.34 114.93 115.03 1vle h MET 457 Ca -0.00 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.38 1vle h MET 457 Cb 0.50 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 1vle h MET 457 CO 0.00 0.51 -2.12 0.41 1.06 0.00 0.00 176.91 176.77 1vle n GLY 458 N 1.25 -1.03 2.28 8.32 0.00 0.18 -4.99 105.19 111.20 1vle n GLY 458 Ca 0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 1vle n GLY 458 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 459 N 1.58 0.85 3.56 -0.02 0.00 0.14 -4.97 105.19 106.33 1vle n GLY 459 Ca -0.22 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 1vle n GLY 459 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vle s LYS 460 N -2.26 0.62 -0.24 1.61 2.20 -1.24 -4.45 119.74 115.98 1vle s LYS 460 Ca 0.00 0.02 -0.32 0.00 -0.36 0.00 0.00 55.97 55.31 1vle s LYS 460 Cb 0.00 0.29 0.16 0.00 -1.51 0.00 0.00 37.83 36.77 1vle s LYS 460 CO 0.00 -0.22 1.26 0.12 -0.36 0.00 0.00 175.35 176.15 1vle s PHE 461 N -1.67 -0.11 -0.01 4.03 5.36 -0.85 -4.42 117.98 120.30 1vle s PHE 461 Ca 0.01 0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.13 1vle s PHE 461 Cb -0.01 0.50 0.02 0.00 -0.34 0.00 0.00 43.02 43.19 1vle s PHE 461 CO -0.01 -0.13 0.02 -1.14 -1.46 0.00 0.00 175.22 172.49 1vle s GLN 462 N -1.59 -0.01 0.37 10.12 -0.44 -1.26 -0.07 119.66 126.78 1vle s GLN 462 Ca 0.08 0.10 -0.05 0.00 -2.50 0.00 0.00 55.36 52.99 1vle s GLN 462 Cb -0.01 -0.15 0.02 0.00 -1.64 0.00 0.00 33.01 31.23 1vle s GLN 462 CO -0.05 -0.09 0.57 -2.67 0.50 0.00 0.00 175.29 173.55 1vle n TRP 463 N 3.70 -1.68 -4.43 1.67 2.14 -0.84 -5.01 117.44 112.98 1vle n TRP 463 Ca -0.21 -2.31 -0.34 0.00 2.07 0.00 0.00 57.50 56.71 1vle n TRP 463 Cb 0.54 0.65 -0.12 0.00 -0.81 0.00 0.00 31.31 31.57 1vle n TRP 463 CO 0.00 0.00 0.00 -1.12 2.07 0.00 0.00 177.69 178.64 1vle s SER 464 N -3.21 4.72 0.03 -0.67 0.01 -1.26 -1.45 113.70 111.87 1vle s SER 464 Ca 0.27 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1vle s SER 464 Cb -0.02 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.44 1vle s SER 464 CO 0.19 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.62 1vle n GLY 465 N 3.53 -2.67 3.07 3.44 0.00 0.14 -4.65 105.19 108.04 1vle n GLY 465 Ca -0.17 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 1vle n GLY 465 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vle s LYS 466 N -3.12 2.26 3.60 1.61 2.20 -1.26 -4.87 119.74 120.16 1vle s LYS 466 Ca 0.00 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 54.31 1vle s LYS 466 Cb 0.00 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1vle s LYS 466 CO 0.00 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 1vle n GLY 467 N 4.45 3.07 3.50 5.54 0.00 -1.26 -3.86 105.19 116.63 1vle n GLY 467 Ca -0.14 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1vle n GLY 467 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vle s PHE 468 N 0.00 2.72 -1.28 1.61 0.40 -1.24 -4.36 117.98 115.83 1vle s PHE 468 Ca 0.00 -0.23 -0.08 0.00 -0.60 0.00 0.00 56.93 56.03 1vle s PHE 468 Cb 0.00 -4.18 0.16 0.00 0.51 0.00 0.00 43.02 39.51 1vle s PHE 468 CO 0.00 -1.50 2.02 0.00 0.70 0.00 0.00 175.22 176.44 1vle n ALA 469 N 7.65 5.82 1.39 5.36 0.00 -1.25 -4.71 120.51 134.76 1vle n ALA 469 Ca -0.00 -4.27 0.14 0.00 0.00 0.00 0.00 53.44 49.30 1vle n ALA 469 Cb 0.47 -2.88 0.45 0.00 0.00 0.00 0.00 19.45 17.49 1vle n ALA 469 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vle n GLY 470 N 2.37 -0.18 0.19 0.00 0.00 -1.26 -4.33 105.19 101.98 1vle n GLY 470 Ca 0.46 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1vle n GLY 470 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vle h GLY 471 N 4.88 0.61 -2.77 -0.02 0.00 -1.84 -2.84 103.07 101.08 1vle h GLY 471 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1vle h GLY 471 CO 0.00 0.23 0.04 -0.35 0.00 0.00 0.00 176.54 176.45 1vle s ASP 472 N -5.59 -0.30 0.18 0.19 2.15 -1.26 -4.83 116.67 107.20 1vle s ASP 472 Ca -0.13 -0.37 -0.16 0.00 0.43 0.00 0.00 52.55 52.32 1vle s ASP 472 Cb 0.11 0.56 0.13 0.00 -0.30 0.00 0.00 42.92 43.42 1vle s ASP 472 CO 0.73 -1.00 1.66 0.40 -0.17 0.00 0.00 175.17 176.79 1vle h ILE 473 N 2.20 0.55 -0.00 4.11 2.04 -1.89 -2.72 117.51 121.80 1vle h ILE 473 Ca -0.31 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1vle h ILE 473 Cb 1.27 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1vle h ILE 473 CO 0.39 0.00 -0.01 -1.20 0.00 0.00 0.00 178.15 177.34 1vle n SER 474 N -5.33 0.32 -0.25 1.72 7.64 -1.26 -4.07 113.62 112.38 1vle n SER 474 Ca 0.04 -1.03 -0.01 0.00 1.01 0.00 0.00 58.87 58.87 1vle n SER 474 Cb 0.24 -0.02 0.20 0.00 -1.01 0.00 0.00 64.21 63.63 1vle n SER 474 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1vle h HIS 475 N 0.49 1.03 0.00 1.43 3.86 -1.77 -1.31 115.15 118.88 1vle h HIS 475 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1vle h HIS 475 Cb 0.13 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.26 1vle h HIS 475 CO 0.00 0.67 0.00 -0.56 0.86 0.00 0.00 177.93 178.90 1vle h GLN 476 N 1.09 0.00 0.00 2.45 3.07 -1.78 -1.92 115.11 118.01 1vle h GLN 476 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.03 1vle h GLN 476 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.49 1vle h GLN 476 CO -0.06 0.00 -0.30 1.28 0.09 0.00 0.00 178.83 179.84 1vle n LEU 477 N -2.55 0.72 -4.77 0.06 4.77 -0.49 -2.14 117.00 112.59 1vle n LEU 477 Ca -0.01 0.39 -0.41 0.00 -0.03 0.00 0.00 56.01 55.95 1vle n LEU 477 Cb 0.10 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1vle n LEU 477 CO 0.16 -0.11 1.17 -2.28 -1.33 0.00 0.00 177.39 175.00 1vle s HIS 478 N -3.12 2.64 -0.06 -1.77 2.46 -0.72 -4.65 115.29 110.06 1vle s HIS 478 Ca 0.09 1.06 -0.17 0.00 0.47 0.00 0.00 55.06 56.51 1vle s HIS 478 Cb 0.13 -4.03 -0.05 0.00 -0.13 0.00 0.00 32.58 28.50 1vle s HIS 478 CO 0.65 -3.14 0.45 -0.65 -2.47 0.00 0.00 174.74 169.58 1vle s GLN 479 N -1.63 4.18 0.25 2.88 -1.52 -1.26 0.23 119.66 122.79 1vle s GLN 479 Ca 0.56 0.44 0.05 0.00 -1.95 0.00 0.00 55.36 54.45 1vle s GLN 479 Cb -0.47 -3.35 -0.05 0.00 -0.22 0.00 0.00 33.01 28.92 1vle s GLN 479 CO 0.59 0.38 -0.02 0.71 -0.25 0.00 0.00 175.29 176.70 1vle s TYR 480 N -0.11 1.72 0.06 0.91 1.51 -0.53 -4.95 117.35 115.97 1vle s TYR 480 Ca 0.25 -0.84 -0.11 0.00 -1.01 0.00 0.00 57.07 55.36 1vle s TYR 480 Cb -0.16 -1.00 0.01 0.00 -0.11 0.00 0.00 41.96 40.70 1vle s TYR 480 CO 0.12 0.08 0.24 -1.83 -1.11 0.00 0.00 175.55 173.04 1vle s GLU 481 N -3.81 0.81 -0.06 -0.62 -1.05 -1.26 -1.99 118.70 110.70 1vle s GLU 481 Ca 0.29 -0.72 0.02 0.00 -0.15 0.00 0.00 54.97 54.41 1vle s GLU 481 Cb 0.05 0.34 0.02 0.00 -0.44 0.00 0.00 34.13 34.09 1vle s GLU 481 CO 0.10 -0.26 -0.11 -0.47 0.95 0.00 0.00 175.26 175.48 1vle s TYR 482 N -3.13 1.34 0.61 4.83 5.04 0.89 -2.84 117.35 124.10 1vle s TYR 482 Ca -0.01 -0.49 -0.15 0.00 -2.44 0.00 0.00 57.07 53.97 1vle s TYR 482 Cb 0.01 -1.01 -0.03 0.00 0.35 0.00 0.00 41.96 41.29 1vle s TYR 482 CO -0.07 -0.28 1.07 -1.25 -1.34 0.00 0.00 175.55 173.69 1vle s PRO 483 N 0.76 3.17 0.57 4.97 0.04 -1.26 -2.01 135.00 141.24 1vle s PRO 483 Ca -0.13 1.25 -0.19 0.00 0.04 0.00 0.00 61.00 61.97 1vle s PRO 483 Cb -0.15 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1vle s PRO 483 CO 0.03 -0.94 1.14 0.00 0.04 0.00 0.00 177.00 177.26 1vle s ALA 484 N -2.44 2.64 -0.25 8.56 0.00 -1.13 -4.87 121.76 124.27 1vle s ALA 484 Ca 0.64 0.81 -0.39 0.00 0.00 0.00 0.00 51.96 53.02 1vle s ALA 484 Cb -0.17 -3.37 -0.15 0.00 0.00 0.00 0.00 23.12 19.43 1vle s ALA 484 CO 0.39 -0.91 1.75 -2.30 0.00 0.00 0.00 175.76 174.69 1vle n PRO 485 N -1.52 1.29 0.00 0.00 -0.02 -1.26 -0.78 135.00 132.70 1vle n PRO 485 Ca 0.12 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1vle n PRO 485 Cb 0.51 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1vle n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vle n GLY 486 N 4.18 2.66 3.96 -1.23 0.00 -1.26 -5.03 105.19 108.47 1vle n GLY 486 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 1vle n GLY 486 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vle s TYR 487 N -2.10 3.02 0.22 1.61 1.51 0.04 -5.10 117.35 116.54 1vle s TYR 487 Ca 0.00 0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.26 1vle s TYR 487 Cb 0.00 -2.67 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 1vle s TYR 487 CO 0.00 -0.77 0.38 0.45 -1.11 0.00 0.00 175.55 174.49 1vle s SER 488 N -4.36 6.35 0.83 2.29 0.15 -1.26 -4.65 113.70 113.04 1vle s SER 488 Ca 0.54 0.27 -0.11 0.00 0.70 0.00 0.00 55.95 57.35 1vle s SER 488 Cb -0.10 -1.95 0.09 0.00 -1.71 0.00 0.00 66.02 62.35 1vle s SER 488 CO 0.40 -0.06 1.09 -0.54 1.20 0.00 0.00 173.24 175.33 1vle s LYS 489 N -3.59 1.83 0.10 5.44 1.02 -1.26 -4.38 119.74 118.90 1vle s LYS 489 Ca 0.36 0.77 -0.31 0.00 0.02 0.00 0.00 55.97 56.82 1vle s LYS 489 Cb -0.10 -1.88 -0.07 0.00 -0.52 0.00 0.00 37.83 35.25 1vle s LYS 489 CO 0.30 -1.83 1.35 0.42 -0.92 0.00 0.00 175.35 174.66 1vle s ILE 490 N -3.04 3.46 -0.02 2.17 -1.09 -1.26 -4.33 121.20 117.08 1vle s ILE 490 Ca 0.62 1.05 0.03 0.00 -2.23 0.00 0.00 60.65 60.12 1vle s ILE 490 Cb -0.16 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1vle s ILE 490 CO 0.55 0.08 0.04 0.29 -1.23 0.00 0.00 174.94 174.67 1vle n LYS 491 N 3.94 2.20 -4.12 2.79 4.76 0.53 -4.71 118.16 123.55 1vle n LYS 491 Ca 0.11 -0.01 -0.15 0.00 -2.87 0.00 0.00 58.31 55.39 1vle n LYS 491 Cb 0.43 -1.09 -0.13 0.00 -1.84 0.00 0.00 35.03 32.40 1vle n LYS 491 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1vle s MET 492 N -2.15 0.48 -0.23 1.97 1.75 -0.77 -1.43 119.30 118.92 1vle s MET 492 Ca -0.02 -0.45 0.01 0.00 -1.25 0.00 0.00 55.69 53.98 1vle s MET 492 Cb 0.02 -0.36 0.06 0.00 2.84 0.00 0.00 34.83 37.38 1vle s MET 492 CO 0.15 0.09 -0.05 0.12 -0.65 0.00 0.00 175.02 174.67 1vle s PHE 493 N -0.70 2.31 -0.56 4.11 5.99 -0.26 0.57 117.98 129.43 1vle s PHE 493 Ca -0.03 -1.69 -0.17 0.00 0.00 0.00 0.00 56.93 55.04 1vle s PHE 493 Cb -0.06 -1.55 0.12 0.00 0.00 0.00 0.00 43.02 41.53 1vle s PHE 493 CO 0.00 -0.76 0.59 -0.46 -0.00 0.00 0.00 175.22 174.59 1vle s TRP 494 N 1.42 3.14 0.01 10.12 -0.11 0.30 -0.69 118.94 133.13 1vle s TRP 494 Ca -0.05 -1.15 -0.18 0.00 1.22 0.00 0.00 56.10 55.94 1vle s TRP 494 Cb -0.19 -3.90 -0.06 0.00 -1.50 0.00 0.00 33.47 27.83 1vle s TRP 494 CO -0.06 -1.14 0.50 0.15 -4.62 0.00 0.00 176.95 171.78 1vle s LYS 495 N 2.07 4.13 -0.31 5.86 1.02 0.33 -3.02 119.74 129.83 1vle s LYS 495 Ca 0.07 0.59 -0.00 0.00 0.02 0.00 0.00 55.97 56.64 1vle s LYS 495 Cb -0.27 -3.27 0.07 0.00 -0.52 0.00 0.00 37.83 33.83 1vle s LYS 495 CO 0.04 0.57 0.00 -0.47 -0.92 0.00 0.00 175.35 174.58 1vle s TYR 496 N -0.78 3.36 0.00 3.18 5.04 -1.00 0.60 117.35 127.76 1vle s TYR 496 Ca 0.27 -2.17 0.00 0.00 -2.44 0.00 0.00 57.07 52.73 1vle s TYR 496 Cb -0.18 -2.30 0.00 0.00 0.35 0.00 0.00 41.96 39.84 1vle s TYR 496 CO 0.16 -0.86 0.00 0.41 -1.34 0.00 0.00 175.55 173.92 1vle n GLY 497 N 4.53 -1.12 2.72 8.97 0.00 -0.81 -4.11 105.19 115.36 1vle n GLY 497 Ca -0.10 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 1vle n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 498 N -1.07 -0.12 0.28 -0.02 0.00 -1.26 -4.80 105.19 98.20 1vle n GLY 498 Ca 0.00 0.29 0.09 0.00 0.00 0.00 0.00 46.02 46.39 1vle n GLY 498 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vle n PRO 499 N 0.85 1.49 0.13 1.61 -0.04 -1.26 -0.57 135.00 137.21 1vle n PRO 499 Ca 0.04 -0.60 0.19 0.00 -0.04 0.00 0.00 63.50 63.10 1vle n PRO 499 Cb 0.69 -1.33 0.74 0.00 -0.04 0.00 0.00 33.50 33.56 1vle n PRO 499 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vle h HIS 500 N 1.37 0.00 0.00 0.54 3.86 -1.95 0.45 115.15 119.42 1vle h HIS 500 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1vle h HIS 500 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1vle h HIS 500 CO 0.00 0.00 -0.25 -0.07 0.86 0.00 0.00 177.93 178.47 1vle h LEU 501 N 0.00 0.00 -1.01 2.43 3.38 -1.88 -2.35 115.31 115.88 1vle h LEU 501 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1vle h LEU 501 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1vle h LEU 501 CO -0.00 0.25 -0.20 0.61 0.09 0.00 0.00 178.44 179.19 1vle n GLY 502 N -0.57 -0.09 0.00 0.83 0.00 0.10 -4.47 105.19 101.00 1vle n GLY 502 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1vle n GLY 502 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vle n THR 503 N 0.07 0.00 -0.17 2.61 -2.24 -0.89 -1.43 114.28 112.22 1vle n THR 503 Ca 0.06 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1vle n THR 503 Cb 0.29 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1vle n THR 503 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1vle n MET 504 N -1.47 3.41 -4.49 -0.78 2.81 -0.90 -4.96 117.12 110.74 1vle n MET 504 Ca -0.00 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.64 1vle n MET 504 Cb 0.02 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.39 1vle n MET 504 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1vle s THR 505 N 3.08 1.67 -0.81 2.03 -4.23 -1.26 -4.78 115.64 111.34 1vle s THR 505 Ca 0.00 -1.33 -0.23 0.00 -1.18 0.00 0.00 61.69 58.95 1vle s THR 505 Cb 0.00 -1.48 0.03 0.00 1.34 0.00 0.00 72.50 72.39 1vle s THR 505 CO 0.00 0.10 0.45 0.00 -0.54 0.00 0.00 174.62 174.63 1vle n ALA 506 N 1.55 -2.09 0.18 3.99 0.00 0.15 -4.76 120.51 119.54 1vle n ALA 506 Ca -0.18 -0.40 0.02 0.00 0.00 0.00 0.00 53.44 52.88 1vle n ALA 506 Cb 0.53 -1.66 0.11 0.00 0.00 0.00 0.00 19.45 18.43 1vle n ALA 506 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vle n THR 507 N -3.66 1.56 0.26 0.00 -2.24 -0.86 -3.09 114.28 106.25 1vle n THR 507 Ca -0.08 0.39 0.11 0.00 -2.27 0.00 0.00 64.05 62.20 1vle n THR 507 Cb 0.38 -1.31 0.74 0.00 -2.10 0.00 0.00 70.33 68.05 1vle n THR 507 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1vle h ASN 508 N 0.00 0.00 0.07 3.42 2.35 -1.85 0.18 115.58 119.74 1vle h ASN 508 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1vle h ASN 508 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1vle h ASN 508 CO 0.00 0.00 -0.13 0.08 -1.65 0.00 0.00 177.43 175.73 1vle h ARG 509 N 0.00 0.14 0.00 0.81 0.11 -1.85 -1.07 114.38 112.52 1vle h ARG 509 Ca 0.01 -0.03 -0.06 0.00 0.10 0.00 0.00 59.98 60.00 1vle h ARG 509 Cb 0.05 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 1vle h ARG 509 CO -0.00 0.28 -0.28 1.88 0.10 0.00 0.00 179.97 181.94 1vle h TYR 510 N 0.14 0.00 0.14 4.08 -1.99 -1.20 -2.12 116.97 116.01 1vle h TYR 510 Ca 0.03 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.53 1vle h TYR 510 Cb 0.31 0.00 0.03 0.00 2.00 0.00 0.00 36.73 39.07 1vle h TYR 510 CO 0.00 0.28 -0.99 0.00 -0.00 0.00 0.00 178.16 177.46 1vle h ALA 511 N 1.72 -0.07 -0.61 3.88 0.00 -1.22 -3.33 119.26 119.63 1vle h ALA 511 Ca -0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 1vle h ALA 511 Cb 0.67 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1vle h ALA 511 CO 0.04 0.48 0.38 0.87 0.00 0.00 0.00 179.25 181.02 1vle h LYS 512 N -0.13 0.81 -0.01 0.00 1.57 -1.06 -3.05 116.57 114.70 1vle h LYS 512 Ca -0.16 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1vle h LYS 512 Cb 1.75 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.88 1vle h LYS 512 CO 0.19 0.56 -0.02 0.00 -0.57 0.00 0.00 179.45 179.61 1vle h MET 513 N 0.83 0.01 0.00 3.15 -0.00 -1.50 -3.02 114.93 114.40 1vle h MET 513 Ca 0.22 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.89 1vle h MET 513 Cb -0.05 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.54 1vle h MET 513 CO -0.04 0.03 -0.13 1.88 -0.00 0.00 0.00 176.91 178.65 1vle h TYR 514 N 0.01 0.00 -0.27 -0.10 -1.99 -1.70 -2.71 116.97 110.21 1vle h TYR 514 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1vle h TYR 514 Cb 0.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.77 1vle h TYR 514 CO 0.00 0.13 0.00 0.25 -0.00 0.00 0.00 178.16 178.54 1vle n THR 515 N -3.54 0.35 -2.23 -2.88 -2.24 -1.14 -4.80 114.28 97.79 1vle n THR 515 Ca -0.01 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 1vle n THR 515 Cb 0.27 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 1vle n THR 515 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1vle s HIS 516 N -1.65 3.29 -1.43 4.78 5.04 -1.03 -3.96 115.29 120.33 1vle s HIS 516 Ca 0.34 1.10 0.10 0.00 -1.54 0.00 0.00 55.06 55.05 1vle s HIS 516 Cb 0.19 -3.61 0.49 0.00 0.04 0.00 0.00 32.58 29.69 1vle s HIS 516 CO 0.27 -2.02 1.19 -0.40 -2.34 0.00 0.00 174.74 171.44 1vle n ASP 517 N 3.58 0.00 0.20 9.88 3.85 -1.26 -1.57 116.55 131.23 1vle n ASP 517 Ca 0.09 0.14 0.09 0.00 -0.71 0.00 0.00 54.79 54.41 1vle n ASP 517 Cb 0.43 -0.28 0.17 0.00 -1.35 0.00 0.00 41.12 40.09 1vle n ASP 517 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1vle h SER 518 N 0.00 0.00 -2.12 -1.12 4.64 -1.90 -3.40 113.55 109.65 1vle h SER 518 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1vle h SER 518 Cb 0.09 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.06 1vle h SER 518 CO 0.00 0.17 0.99 -0.76 -0.87 0.00 0.00 176.83 176.36 1vle s LEU 519 N -6.32 3.94 0.45 5.97 1.43 -0.61 -4.57 118.68 118.98 1vle s LEU 519 Ca 0.05 -1.17 0.25 0.00 -1.03 0.00 0.00 54.13 52.23 1vle s LEU 519 Cb 0.06 -2.49 0.68 0.00 0.03 0.00 0.00 46.19 44.47 1vle s LEU 519 CO 0.68 -1.50 1.72 -0.33 0.23 0.00 0.00 176.35 177.16 1vle h GLU 520 N 9.61 0.00 -1.99 1.70 5.08 -1.47 -3.46 114.58 124.06 1vle h GLU 520 Ca -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1vle h GLU 520 Cb 1.04 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.08 1vle h GLU 520 CO 1.26 0.12 0.10 0.12 -1.00 0.00 0.00 179.01 179.61 1vle s PHE 521 N -3.38 -0.88 -0.09 4.33 5.36 -1.16 -5.04 117.98 117.12 1vle s PHE 521 Ca 0.04 1.98 0.00 0.00 -0.96 0.00 0.00 56.93 57.99 1vle s PHE 521 Cb 0.07 0.41 0.02 0.00 -0.34 0.00 0.00 43.02 43.18 1vle s PHE 521 CO 0.64 -0.43 -0.08 0.08 -1.46 0.00 0.00 175.22 173.97 1vle s VAL 522 N 0.85 0.96 -0.05 3.12 1.01 -1.26 -1.10 120.40 123.93 1vle s VAL 522 Ca -0.04 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1vle s VAL 522 Cb -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1vle s VAL 522 CO -0.07 0.35 -0.16 -0.69 0.00 0.00 0.00 175.10 174.53 1vle s VAL 523 N 1.44 2.93 -0.16 2.92 1.01 0.13 -0.27 120.40 128.39 1vle s VAL 523 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1vle s VAL 523 Cb -0.13 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.14 1vle s VAL 523 CO -0.05 0.59 -0.12 -0.55 0.00 0.00 0.00 175.10 174.97 1vle s SER 524 N -0.66 2.89 -0.53 3.32 0.15 -0.40 0.12 113.70 118.60 1vle s SER 524 Ca 0.10 -0.62 -0.06 0.00 0.70 0.00 0.00 55.95 56.08 1vle s SER 524 Cb -0.11 -1.16 0.14 0.00 -1.71 0.00 0.00 66.02 63.18 1vle s SER 524 CO 0.01 -0.10 0.37 -1.58 1.20 0.00 0.00 173.24 173.14 1vle s GLN 525 N 1.48 2.45 0.21 5.44 0.74 0.20 -0.36 119.66 129.82 1vle s GLN 525 Ca 0.03 -2.09 0.05 0.00 0.05 0.00 0.00 55.36 53.40 1vle s GLN 525 Cb -0.14 -3.80 -0.02 0.00 1.10 0.00 0.00 33.01 30.15 1vle s GLN 525 CO -0.10 -1.16 0.17 0.43 -0.55 0.00 0.00 175.29 174.08 1vle n SER 526 N 4.28 -0.29 -0.11 6.67 7.64 -0.91 -1.93 113.62 128.97 1vle n SER 526 Ca 0.01 -2.37 -0.23 0.00 1.01 0.00 0.00 58.87 57.29 1vle n SER 526 Cb 0.40 1.01 -0.08 0.00 -1.01 0.00 0.00 64.21 64.54 1vle n SER 526 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1vle n ILE 527 N -0.41 1.17 -4.40 0.44 5.41 -1.26 -0.20 119.36 120.11 1vle n ILE 527 Ca 0.04 -0.29 -0.32 0.00 1.00 0.00 0.00 62.75 63.18 1vle n ILE 527 Cb 0.38 -1.80 -0.10 0.00 -0.71 0.00 0.00 39.64 37.41 1vle n ILE 527 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1vle s TRP 528 N -2.39 2.92 -1.04 1.39 0.51 -1.26 -1.14 118.94 117.92 1vle s TRP 528 Ca -0.30 -0.02 -0.22 0.00 -2.12 0.00 0.00 56.10 53.44 1vle s TRP 528 Cb 0.11 -1.61 0.06 0.00 -0.81 0.00 0.00 33.47 31.23 1vle s TRP 528 CO 0.37 0.40 1.45 0.12 -0.51 0.00 0.00 176.95 178.78 1vle s PHE 529 N -1.04 2.63 0.37 -1.98 5.36 0.47 -4.83 117.98 118.96 1vle s PHE 529 Ca 0.18 -1.00 -0.12 0.00 -0.96 0.00 0.00 56.93 55.03 1vle s PHE 529 Cb -0.11 -4.66 0.04 0.00 -0.34 0.00 0.00 43.02 37.95 1vle s PHE 529 CO 0.09 -1.87 0.69 -1.83 -1.46 0.00 0.00 175.22 170.84 1vle s GLU 530 N 4.62 2.13 2.89 10.12 -1.05 -1.26 -4.96 118.70 131.18 1vle s GLU 530 Ca 0.45 -1.53 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 1vle s GLU 530 Cb -0.00 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 1vle s GLU 530 CO -0.08 -0.96 0.00 0.41 0.95 0.00 0.00 175.26 175.58 1vle n GLY 531 N -0.54 2.80 0.21 -3.83 0.00 -1.15 -1.39 105.19 101.28 1vle n GLY 531 Ca -0.05 0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.39 1vle n GLY 531 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vle h GLU 532 N 0.00 0.00 -0.82 1.61 5.08 -1.19 -3.38 114.58 115.88 1vle h GLU 532 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1vle h GLU 532 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1vle h GLU 532 CO 0.00 0.00 0.01 0.28 -1.00 0.00 0.00 179.01 178.30 1vle h VAL 533 N 0.00 0.27 0.00 3.13 2.07 -1.43 -1.40 116.25 118.89 1vle h VAL 533 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1vle h VAL 533 Cb 0.88 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1vle h VAL 533 CO 0.00 0.02 0.00 -2.65 0.02 0.00 0.00 177.57 174.96 1vle n PRO 534 N -5.37 0.35 -0.00 1.57 -0.02 -1.26 -1.98 135.00 128.28 1vle n PRO 534 Ca 0.16 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.68 1vle n PRO 534 Cb 0.54 -1.15 -0.05 0.00 -0.02 0.00 0.00 33.50 32.82 1vle n PRO 534 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1vle n PHE 535 N 0.23 0.00 -1.53 6.00 3.01 -0.53 -3.43 117.46 121.22 1vle n PHE 535 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 1vle n PHE 535 Cb 0.08 -0.03 0.07 0.00 -0.01 0.00 0.00 39.48 39.59 1vle n PHE 535 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vle s ALA 536 N -1.87 2.44 -0.08 4.37 0.00 -0.84 -4.54 121.76 121.25 1vle s ALA 536 Ca 0.02 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.05 1vle s ALA 536 Cb 0.06 -3.15 -0.24 0.00 0.00 0.00 0.00 23.12 19.79 1vle s ALA 536 CO 0.32 -1.50 0.51 -0.25 0.00 0.00 0.00 175.76 174.84 1vle n ASP 537 N -3.30 1.00 -3.85 0.00 8.00 0.62 -4.57 116.55 114.45 1vle n ASP 537 Ca 0.07 0.31 -0.19 0.00 0.71 0.00 0.00 54.79 55.70 1vle n ASP 537 Cb 0.55 -0.07 -0.16 0.00 -0.02 0.00 0.00 41.12 41.42 1vle n ASP 537 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1vle s ILE 538 N -2.57 0.37 -0.14 0.53 -1.09 -1.10 -1.14 121.20 116.06 1vle s ILE 538 Ca -0.09 -0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.32 1vle s ILE 538 Cb 0.08 -0.44 -0.01 0.00 -1.58 0.00 0.00 42.46 40.51 1vle s ILE 538 CO 0.81 0.19 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.92 1vle s ILE 539 N 1.01 2.68 -0.17 2.92 1.01 0.25 -1.27 121.20 127.63 1vle s ILE 539 Ca -0.10 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 1vle s ILE 539 Cb -0.14 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 1vle s ILE 539 CO -0.01 0.53 -0.10 -0.76 0.00 0.00 0.00 174.94 174.60 1vle s LEU 540 N 0.57 2.75 -0.14 2.97 1.43 0.51 -1.02 118.68 125.75 1vle s LEU 540 Ca -0.10 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 1vle s LEU 540 Cb -0.16 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1vle s LEU 540 CO 0.04 0.08 1.22 -2.84 0.23 0.00 0.00 176.35 175.08 1vle s PRO 541 N 0.85 4.27 0.23 1.29 0.02 -1.26 -2.15 135.00 138.25 1vle s PRO 541 Ca -0.03 1.63 0.08 0.00 0.02 0.00 0.00 61.00 62.70 1vle s PRO 541 Cb -0.15 -3.70 -0.04 0.00 0.02 0.00 0.00 34.50 30.63 1vle s PRO 541 CO 0.01 -0.63 0.07 0.00 -0.33 0.00 0.00 177.00 176.12 1vle s ALA 542 N 3.13 3.34 0.26 -1.55 0.00 0.72 -2.22 121.76 125.44 1vle s ALA 542 Ca 0.54 -1.47 0.07 0.00 0.00 0.00 0.00 51.96 51.10 1vle s ALA 542 Cb -0.22 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1vle s ALA 542 CO 0.16 0.34 0.19 0.00 0.00 0.00 0.00 175.76 176.44 1vle s THR 544 N -2.17 1.84 -0.66 0.00 -4.23 -1.26 -4.82 115.64 104.33 1vle s THR 544 Ca 0.33 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 61.06 1vle s THR 544 Cb -0.07 -2.62 0.22 0.00 1.34 0.00 0.00 72.50 71.36 1vle s THR 544 CO 0.25 0.00 1.66 -0.46 -0.54 0.00 0.00 174.62 175.52 1vle n ASN 545 N -4.27 0.47 -0.01 3.99 6.94 -1.26 -2.33 115.26 118.80 1vle n ASN 545 Ca 0.10 0.61 0.15 0.00 -0.02 0.00 0.00 54.58 55.42 1vle n ASN 545 Cb 0.59 -0.71 0.76 0.00 -2.36 0.00 0.00 39.78 38.06 1vle n ASN 545 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1vle n PHE 546 N -2.01 0.00 -1.07 -2.53 3.01 -1.26 -3.37 117.46 110.23 1vle n PHE 546 Ca 0.03 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.57 1vle n PHE 546 Cb 0.23 -0.27 0.21 0.00 -0.01 0.00 0.00 39.48 39.64 1vle n PHE 546 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1vle n GLU 547 N -1.26 2.16 -3.72 -1.08 1.02 -0.98 -1.47 120.64 115.32 1vle n GLU 547 Ca 0.15 -2.77 -0.10 0.00 -0.02 0.00 0.00 57.16 54.42 1vle n GLU 547 Cb 0.24 -1.70 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 1vle n GLU 547 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1vle s ARG 548 N -2.89 1.40 -0.01 3.49 1.70 -1.22 -4.36 118.95 117.07 1vle s ARG 548 Ca 0.38 -0.84 -0.20 0.00 -0.47 0.00 0.00 55.73 54.61 1vle s ARG 548 Cb 0.32 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 35.18 1vle s ARG 548 CO 0.06 -0.60 0.57 -1.58 -1.08 0.00 0.00 175.30 172.66 1vle s TRP 549 N -3.86 3.68 0.13 5.89 0.52 -1.26 -3.50 118.94 120.54 1vle s TRP 549 Ca 0.09 1.16 -0.04 0.00 0.02 0.00 0.00 56.10 57.32 1vle s TRP 549 Cb -0.01 -2.57 0.02 0.00 -1.15 0.00 0.00 33.47 29.76 1vle s TRP 549 CO -0.03 0.37 0.26 -3.47 0.02 0.00 0.00 176.95 174.10 1vle n ASP 550 N 2.68 -0.75 -3.69 2.95 -0.08 -0.28 -4.72 116.55 112.67 1vle n ASP 550 Ca -0.08 -1.56 -0.14 0.00 -1.51 0.00 0.00 54.79 51.50 1vle n ASP 550 Cb 0.51 1.26 -0.08 0.00 2.34 0.00 0.00 41.12 45.15 1vle n ASP 550 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1vle s ILE 551 N -2.67 0.03 0.13 5.18 2.07 -1.26 -0.58 121.20 124.09 1vle s ILE 551 Ca 0.06 -0.23 -0.25 0.00 -1.41 0.00 0.00 60.65 58.83 1vle s ILE 551 Cb -0.02 -0.72 0.08 0.00 0.13 0.00 0.00 42.46 41.93 1vle s ILE 551 CO 0.05 -0.12 1.07 -0.94 -1.91 0.00 0.00 174.94 173.08 1vle s SER 552 N -0.86 -0.06 -0.02 4.50 1.04 -0.99 -1.27 113.70 116.04 1vle s SER 552 Ca -0.09 -0.47 0.06 0.00 0.48 0.00 0.00 55.95 55.94 1vle s SER 552 Cb -0.03 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 1vle s SER 552 CO 0.05 -0.80 -0.21 -0.70 0.98 0.00 0.00 173.24 172.56 1vle s GLU 553 N -2.57 1.70 -0.42 4.02 2.12 -1.26 -1.40 118.70 120.89 1vle s GLU 553 Ca 0.18 -0.75 -0.40 0.00 0.36 0.00 0.00 54.97 54.36 1vle s GLU 553 Cb -0.01 -1.64 -0.16 0.00 0.26 0.00 0.00 34.13 32.58 1vle s GLU 553 CO 0.02 0.45 2.08 0.34 -0.54 0.00 0.00 175.26 177.61 1vle n PHE 554 N 2.56 1.47 -1.23 5.30 -0.00 0.34 -0.98 117.46 124.92 1vle n PHE 554 Ca -0.15 0.58 -0.09 0.00 -0.00 0.00 0.00 57.45 57.79 1vle n PHE 554 Cb 0.53 -2.40 -0.04 0.00 -0.00 0.00 0.00 39.48 37.57 1vle n PHE 554 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1vle n ALA 555 N 7.94 -0.13 -2.53 3.13 0.00 -1.26 -4.72 120.51 122.95 1vle n ALA 555 Ca 0.45 0.14 -0.41 0.00 0.00 0.00 0.00 53.44 53.62 1vle n ALA 555 Cb 0.08 -1.67 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 1vle n ALA 555 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1vle s ASN 556 N -2.25 6.22 -0.26 0.00 3.84 -0.16 -4.34 114.94 117.99 1vle s ASN 556 Ca 0.00 -0.19 -0.16 0.00 0.21 0.00 0.00 52.86 52.72 1vle s ASN 556 Cb 0.00 -2.56 -0.13 0.00 -0.55 0.00 0.00 41.25 38.01 1vle s ASN 556 CO 0.00 -1.74 -0.23 0.00 -2.79 0.00 0.00 177.10 172.34 1vle n SER 558 N -4.30 -1.10 0.00 0.00 2.88 -1.17 -1.48 113.62 108.44 1vle n SER 558 Ca -0.48 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 1vle n SER 558 Cb 0.82 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1vle n SER 558 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vle n GLY 559 N 0.00 2.06 0.00 0.46 0.00 -1.26 -1.63 105.19 104.83 1vle n GLY 559 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 46.02 46.30 1vle n GLY 559 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vle n TYR 560 N 3.55 0.00 -3.11 1.61 4.02 -1.26 -3.36 117.16 118.60 1vle n TYR 560 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 1vle n TYR 560 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 1vle n TYR 560 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1vle n ILE 561 N -0.67 -0.54 -1.66 -0.72 5.41 -0.64 -4.32 119.36 116.21 1vle n ILE 561 Ca 0.06 -3.60 -0.46 0.00 1.00 0.00 0.00 62.75 59.76 1vle n ILE 561 Cb 0.03 -1.25 -0.04 0.00 -0.71 0.00 0.00 39.64 37.68 1vle n ILE 561 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1vle n PRO 562 N 1.37 2.01 -3.62 0.38 -0.02 -1.21 -2.50 135.00 131.41 1vle n PRO 562 Ca 0.19 0.72 -0.26 0.00 -2.02 0.00 0.00 63.50 62.13 1vle n PRO 562 Cb 0.56 -2.43 0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1vle n PRO 562 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1vle n ASP 563 N 2.78 -5.40 0.00 2.55 8.00 -1.26 -4.86 116.55 118.36 1vle n ASP 563 Ca 0.15 -0.59 0.11 0.00 0.71 0.00 0.00 54.79 55.17 1vle n ASP 563 Cb 0.29 -4.31 0.63 0.00 -0.02 0.00 0.00 41.12 37.72 1vle n ASP 563 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1vle n ASN 564 N -2.78 0.00 0.20 -2.24 2.04 -1.04 -2.64 115.26 108.81 1vle n ASN 564 Ca 0.00 -0.84 0.15 0.00 -0.44 0.00 0.00 54.58 53.45 1vle n ASN 564 Cb 0.55 0.00 0.65 0.00 -2.53 0.00 0.00 39.78 38.45 1vle n ASN 564 CO 0.00 0.00 0.00 0.10 -0.44 0.00 0.00 177.26 176.92 1vle h TYR 565 N 0.00 0.00 0.00 -2.53 -0.00 -1.85 -2.12 116.97 110.47 1vle h TYR 565 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1vle h TYR 565 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1vle h TYR 565 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1vle n GLN 566 N -2.60 0.27 0.18 0.10 10.64 -1.08 -1.10 117.38 123.80 1vle n GLN 566 Ca 0.01 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.28 1vle n GLN 566 Cb 0.21 -1.08 0.11 0.00 -0.86 0.00 0.00 30.24 28.62 1vle n GLN 566 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1vle h LEU 567 N 0.00 0.00-10.17 2.61 3.38 -1.55 -3.12 115.31 106.46 1vle h LEU 567 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1vle h LEU 567 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1vle h LEU 567 CO 0.00 0.07 -0.42 0.00 0.09 0.00 0.00 178.44 178.18 1vle h ASN 569 N 1.15 0.00 -5.02 0.00 2.35 -1.87 -3.45 115.58 108.74 1vle h ASN 569 Ca -0.49 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.16 1vle h ASN 569 Cb 1.24 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 39.43 1vle h ASN 569 CO 0.58 0.00 -0.20 -1.00 -1.65 0.00 0.00 177.43 175.16 1vle s HIS 570 N -3.30 -0.20 -0.34 1.19 3.76 -1.26 -4.83 115.29 110.30 1vle s HIS 570 Ca 0.06 0.21 -0.23 0.00 -0.15 0.00 0.00 55.06 54.95 1vle s HIS 570 Cb 0.09 0.14 0.01 0.00 1.11 0.00 0.00 32.58 33.93 1vle s HIS 570 CO 0.54 -0.48 0.77 1.03 -0.85 0.00 0.00 174.74 175.75 1vle s ARG 571 N -1.97 3.82 -0.26 1.40 0.52 -1.26 -4.96 118.95 116.24 1vle s ARG 571 Ca -0.09 0.37 -0.02 0.00 -0.52 0.00 0.00 55.73 55.48 1vle s ARG 571 Cb -0.02 -3.78 0.03 0.00 0.52 0.00 0.00 34.95 31.69 1vle s ARG 571 CO 0.01 -0.78 -0.05 0.08 0.02 0.00 0.00 175.30 174.58 1vle s VAL 572 N 3.01 2.92 -0.25 3.52 1.01 -1.26 -1.85 120.40 127.50 1vle s VAL 572 Ca 0.31 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1vle s VAL 572 Cb -0.14 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1vle s VAL 572 CO 0.15 0.16 0.11 -0.63 0.00 0.00 0.00 175.10 174.89 1vle s ILE 573 N 1.32 4.73 0.09 2.22 1.01 -0.13 -0.51 121.20 129.94 1vle s ILE 573 Ca -0.00 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.65 1vle s ILE 573 Cb -0.17 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 1vle s ILE 573 CO -0.04 0.33 -0.10 -0.94 0.00 0.00 0.00 174.94 174.19 1vle s SER 574 N 1.43 1.43 0.01 3.58 1.04 -0.49 0.12 113.70 120.82 1vle s SER 574 Ca 0.06 -0.76 -0.26 0.00 0.48 0.00 0.00 55.95 55.47 1vle s SER 574 Cb -0.15 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 1vle s SER 574 CO 0.05 -0.23 0.81 -0.22 0.98 0.00 0.00 173.24 174.64 1vle s LEU 575 N -2.27 4.39 -0.73 2.42 2.96 0.11 -2.34 118.68 123.23 1vle s LEU 575 Ca 0.03 1.45 -0.17 0.00 -0.22 0.00 0.00 54.13 55.22 1vle s LEU 575 Cb -0.04 -3.30 0.15 0.00 0.50 0.00 0.00 46.19 43.49 1vle s LEU 575 CO 0.00 -0.10 0.80 -1.10 -1.32 0.00 0.00 176.35 174.63 1vle s GLN 576 N 0.46 3.32 0.22 1.98 -0.21 0.25 -3.65 119.66 122.03 1vle s GLN 576 Ca 0.42 -1.78 -0.30 0.00 0.02 0.00 0.00 55.36 53.72 1vle s GLN 576 Cb -0.20 -4.46 -0.08 0.00 1.00 0.00 0.00 33.01 29.27 1vle s GLN 576 CO 0.23 -1.50 1.02 0.00 -2.12 0.00 0.00 175.29 172.93 1vle s ALA 577 N 1.86 3.35 -0.76 6.09 0.00 -0.46 -1.13 121.76 130.71 1vle s ALA 577 Ca 0.17 0.74 -0.25 0.00 0.00 0.00 0.00 51.96 52.61 1vle s ALA 577 Cb -0.16 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1vle s ALA 577 CO -0.02 -0.02 2.00 0.21 0.00 0.00 0.00 175.76 177.93 1vle s LYS 578 N -0.91 2.44 0.17 0.00 2.20 -1.23 -4.76 119.74 117.67 1vle s LYS 578 Ca 0.45 0.22 -0.08 0.00 -0.36 0.00 0.00 55.97 56.19 1vle s LYS 578 Cb -0.28 -4.77 0.05 0.00 -1.51 0.00 0.00 37.83 31.33 1vle s LYS 578 CO 0.35 -3.26 1.56 0.00 -0.36 0.00 0.00 175.35 173.64 1vle s ILE 580 N -4.62 0.12 0.52 0.00 -4.36 -1.13 -4.83 121.20 106.90 1vle s ILE 580 Ca -0.11 -1.94 -0.19 0.00 -0.26 0.00 0.00 60.65 58.16 1vle s ILE 580 Cb 0.12 -2.17 -0.07 0.00 1.25 0.00 0.00 42.46 41.59 1vle s ILE 580 CO 0.86 -0.34 1.04 -1.61 0.24 0.00 0.00 174.94 175.13 1vle s GLU 581 N -4.07 3.66 0.27 0.37 0.41 -1.26 -4.37 118.70 113.70 1vle s GLU 581 Ca 0.28 1.30 -0.29 0.00 -0.41 0.00 0.00 54.97 55.85 1vle s GLU 581 Cb 0.07 -2.08 -0.14 0.00 -1.78 0.00 0.00 34.13 30.20 1vle s GLU 581 CO 0.05 -0.54 1.04 -2.30 -0.49 0.00 0.00 175.26 173.02 1vle n PRO 582 N -1.31 1.33 -2.49 0.39 -0.02 -1.26 -4.90 135.00 126.73 1vle n PRO 582 Ca 0.09 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 1vle n PRO 582 Cb 0.53 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 1vle n PRO 582 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vle s VAL 583 N -0.88 4.08 0.00 -1.45 1.01 -1.26 -4.76 120.40 117.14 1vle s VAL 583 Ca 0.61 1.59 0.00 0.00 0.00 0.00 0.00 61.98 64.18 1vle s VAL 583 Cb -0.73 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 31.64 1vle s VAL 583 CO 0.58 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1vle n GLY 584 N 2.76 2.43 1.68 4.51 0.00 -1.26 -2.30 105.19 113.02 1vle n GLY 584 Ca 0.06 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.63 1vle n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vle n GLU 585 N 11.90 3.75 -1.52 1.61 1.02 -0.45 -4.97 120.64 131.98 1vle n GLU 585 Ca 0.00 -2.50 -0.30 0.00 -0.02 0.00 0.00 57.16 54.34 1vle n GLU 585 Cb 0.00 -2.09 0.08 0.00 -0.02 0.00 0.00 31.44 29.41 1vle n GLU 585 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1vle s SER 586 N -0.66 4.71 0.13 1.62 1.04 -0.97 -4.79 113.70 114.78 1vle s SER 586 Ca 0.44 1.44 -0.13 0.00 0.48 0.00 0.00 55.95 58.17 1vle s SER 586 Cb 0.34 -2.21 0.02 0.00 0.10 0.00 0.00 66.02 64.27 1vle s SER 586 CO 0.12 -1.85 0.35 0.00 0.98 0.00 0.00 173.24 172.84 1vle s MET 587 N -5.10 1.08 0.55 4.02 0.23 -0.94 -4.72 119.30 114.42 1vle s MET 587 Ca 0.60 -0.86 -0.20 0.00 -1.03 0.00 0.00 55.69 54.19 1vle s MET 587 Cb -0.15 0.43 -0.05 0.00 -1.53 0.00 0.00 34.83 33.54 1vle s MET 587 CO 0.55 -0.41 1.22 -1.54 -2.03 0.00 0.00 175.02 172.81 1vle s SER 588 N -2.85 5.49 0.34 -1.18 1.04 -1.26 -1.93 113.70 113.34 1vle s SER 588 Ca 0.07 2.43 0.07 0.00 0.48 0.00 0.00 55.95 59.00 1vle s SER 588 Cb 0.02 -2.61 0.75 0.00 0.10 0.00 0.00 66.02 64.29 1vle s SER 588 CO -0.08 -1.39 1.87 0.44 0.98 0.00 0.00 173.24 175.05 1vle h ASP 589 N 1.32 0.71 -0.67 7.02 3.32 -1.93 -0.53 116.42 125.66 1vle h ASP 589 Ca -0.50 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 1vle h ASP 589 Cb 1.28 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1vle h ASP 589 CO 0.57 0.38 0.26 0.22 -1.72 0.00 0.00 179.24 178.95 1vle h TYR 590 N 0.76 1.03 0.00 4.55 5.03 -1.93 -0.32 116.97 126.10 1vle h TYR 590 Ca 0.44 -0.08 -0.06 0.00 2.58 0.00 0.00 58.73 61.61 1vle h TYR 590 Cb 0.62 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 1vle h TYR 590 CO -0.00 0.80 -0.31 0.93 -1.32 0.00 0.00 178.16 178.26 1vle h GLU 591 N 0.96 0.00 -0.08 1.82 4.39 -1.56 0.29 114.58 120.40 1vle h GLU 591 Ca 0.22 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.87 1vle h GLU 591 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1vle h GLU 591 CO -0.02 0.31 -0.14 0.82 -1.16 0.00 0.00 179.01 178.82 1vle h ILE 592 N 0.00 1.40 -0.17 3.13 2.04 -0.67 -2.04 117.51 121.20 1vle h ILE 592 Ca -0.00 -1.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.36 1vle h ILE 592 Cb 0.93 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 1vle h ILE 592 CO 0.04 0.40 -0.22 1.88 0.00 0.00 0.00 178.15 180.25 1vle h TYR 593 N -0.23 0.34 -0.36 1.37 0.99 -0.91 -1.47 116.97 116.70 1vle h TYR 593 Ca 0.00 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.58 1vle h TYR 593 Cb 0.72 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 38.34 1vle h TYR 593 CO 0.11 0.51 -0.16 -0.09 -0.00 0.00 0.00 178.16 178.53 1vle h ARG 594 N 0.28 0.66 -0.29 4.88 2.43 -0.87 0.37 114.38 121.83 1vle h ARG 594 Ca 0.05 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 1vle h ARG 594 Cb 0.55 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1vle h ARG 594 CO 0.04 0.79 -0.07 1.25 -1.51 0.00 0.00 179.97 180.47 1vle h LEU 595 N 0.59 0.56 -0.45 3.80 5.85 -0.79 -1.81 115.31 123.06 1vle h LEU 595 Ca 0.10 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1vle h LEU 595 Cb 0.62 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1vle h LEU 595 CO 0.04 0.79 0.19 -0.26 -0.34 0.00 0.00 178.44 178.86 1vle h PHE 596 N 0.32 0.68 -0.78 1.25 -1.00 -0.94 -2.17 116.94 114.30 1vle h PHE 596 Ca 0.07 -0.05 0.10 0.00 2.81 0.00 0.00 57.97 60.90 1vle h PHE 596 Cb 0.54 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 39.85 1vle h PHE 596 CO 0.05 0.58 0.51 0.00 -1.61 0.00 0.00 178.31 177.84 1vle h ALA 597 N 1.03 1.78 -0.19 2.45 0.00 -0.13 0.20 119.26 124.39 1vle h ALA 597 Ca 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1vle h ALA 597 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1vle h ALA 597 CO -0.01 0.06 -0.03 -0.22 0.00 0.00 0.00 179.25 179.05 1vle h LYS 598 N 0.71 0.36 0.00 0.00 3.64 -0.83 0.39 116.57 120.85 1vle h LYS 598 Ca 0.36 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1vle h LYS 598 Cb 0.45 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1vle h LYS 598 CO -0.14 0.59 0.00 1.63 -2.27 0.00 0.00 179.45 179.27 1vle n LYS 599 N -4.66 0.16 -0.26 1.90 5.02 -0.54 -2.09 118.16 117.68 1vle n LYS 599 Ca -0.05 0.28 0.10 0.00 -2.02 0.00 0.00 58.31 56.63 1vle n LYS 599 Cb 0.25 -1.74 0.25 0.00 -0.02 0.00 0.00 35.03 33.77 1vle n LYS 599 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1vle n LEU 600 N -2.03 3.53 -2.20 -0.35 4.77 0.59 -4.96 117.00 116.35 1vle n LEU 600 Ca 0.04 -1.81 -0.18 0.00 -0.03 0.00 0.00 56.01 54.03 1vle n LEU 600 Cb 0.29 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1vle n LEU 600 CO 0.23 0.84 -0.16 -3.20 -1.33 0.00 0.00 177.39 173.76 1vle n ASN 601 N 1.34 -5.28 -0.36 -1.43 5.15 -0.81 -4.90 115.26 108.96 1vle n ASN 601 Ca 0.20 -0.08 0.04 0.00 -0.60 0.00 0.00 54.58 54.13 1vle n ASN 601 Cb 0.56 -4.29 0.05 0.00 -0.53 0.00 0.00 39.78 35.58 1vle n ASN 601 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1vle n ILE 602 N -4.11 0.69 -0.23 -1.44 -5.35 0.13 -4.87 119.36 104.19 1vle n ILE 602 Ca -0.18 -0.86 -0.01 0.00 -0.27 0.00 0.00 62.75 61.43 1vle n ILE 602 Cb 0.64 0.24 0.10 0.00 -1.74 0.00 0.00 39.64 38.89 1vle n ILE 602 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1vle h GLU 603 N 0.03 0.60 -0.15 6.28 4.81 -1.58 -1.25 114.58 123.32 1vle h GLU 603 Ca -0.00 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1vle h GLU 603 Cb 1.26 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 1vle h GLU 603 CO 0.00 0.40 -0.22 1.49 -0.73 0.00 0.00 179.01 179.95 1vle h GLU 604 N 0.62 -0.25 -0.35 1.92 4.57 -1.89 0.19 114.58 119.38 1vle h GLU 604 Ca 0.31 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.41 1vle h GLU 604 Cb 0.25 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1vle h GLU 604 CO -0.21 -0.17 -0.15 0.52 -1.18 0.00 0.00 179.01 177.82 1vle h MET 605 N -0.26 0.64 0.20 1.92 2.86 -1.84 -0.07 114.93 118.37 1vle h MET 605 Ca 0.11 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1vle h MET 605 Cb 0.42 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1vle h MET 605 CO -0.30 0.76 -0.10 0.35 1.06 0.00 0.00 176.91 178.68 1vle h PHE 606 N 0.58 -0.25 0.00 -0.22 3.57 -0.87 -3.37 116.94 116.37 1vle h PHE 606 Ca 0.10 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1vle h PHE 606 Cb 0.59 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1vle h PHE 606 CO 0.02 -0.03 -0.38 0.66 -2.23 0.00 0.00 178.31 176.35 1vle h SER 607 N -1.03 0.00 -2.11 0.41 4.64 -1.08 -3.47 113.55 110.91 1vle h SER 607 Ca -0.03 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.97 1vle h SER 607 Cb 0.33 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.33 1vle h SER 607 CO 0.04 0.38 -0.34 -0.62 -0.87 0.00 0.00 176.83 175.43 1vle n GLU 608 N -3.20 -1.60 -1.24 4.77 1.02 -0.04 -0.31 120.64 120.04 1vle n GLU 608 Ca 0.02 0.87 -0.07 0.00 -0.02 0.00 0.00 57.16 57.96 1vle n GLU 608 Cb 0.68 -5.30 -0.03 0.00 -0.02 0.00 0.00 31.44 26.77 1vle n GLU 608 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vle n GLY 609 N -0.53 0.92 3.50 0.62 0.00 -1.26 -5.03 105.19 103.42 1vle n GLY 609 Ca -0.17 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 1vle n GLY 609 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vle s LYS 610 N -2.67 2.37 0.65 1.61 1.02 0.58 -5.10 119.74 118.20 1vle s LYS 610 Ca 0.00 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.21 1vle s LYS 610 Cb 0.00 -2.35 0.10 0.00 -0.52 0.00 0.00 37.83 35.06 1vle s LYS 610 CO 0.00 0.59 0.90 0.16 -0.92 0.00 0.00 175.35 176.08 1vle s ASP 611 N -1.14 4.71 0.28 2.83 1.47 -1.26 -4.86 116.67 118.70 1vle s ASP 611 Ca 0.14 -0.38 0.00 0.00 1.18 0.00 0.00 52.55 53.49 1vle s ASP 611 Cb -0.11 -0.15 0.53 0.00 -0.34 0.00 0.00 42.92 42.85 1vle s ASP 611 CO 0.04 -1.59 1.83 -0.33 0.68 0.00 0.00 175.17 175.79 1vle h GLU 612 N -0.24 0.91 -0.71 2.11 5.08 -1.98 -1.97 114.58 117.78 1vle h GLU 612 Ca -0.36 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 1vle h GLU 612 Cb 1.28 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1vle h GLU 612 CO 0.43 0.60 0.21 1.25 -1.00 0.00 0.00 179.01 180.50 1vle h LEU 613 N 0.94 1.03 -0.49 1.33 5.85 -1.94 0.17 115.31 122.19 1vle h LEU 613 Ca 0.48 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 1vle h LEU 613 Cb 0.49 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1vle h LEU 613 CO -0.27 0.96 0.10 0.00 -0.34 0.00 0.00 178.44 178.89 1vle h ALA 614 N 1.17 0.65 -0.72 1.25 0.00 -1.75 -1.89 119.26 117.97 1vle h ALA 614 Ca 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1vle h ALA 614 Cb 0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1vle h ALA 614 CO -0.01 0.36 0.38 -1.49 0.00 0.00 0.00 179.25 178.49 1vle h TRP 615 N 0.68 0.99 -0.67 0.00 4.06 -0.98 -1.98 115.95 118.05 1vle h TRP 615 Ca 0.15 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.08 1vle h TRP 615 Cb 0.36 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 1vle h TRP 615 CO 0.02 0.70 0.44 0.00 -3.56 0.00 0.00 178.44 176.05 1vle h GLU 617 N 0.91 0.57 -0.77 0.00 4.81 -0.90 0.40 114.58 119.59 1vle h GLU 617 Ca 0.25 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1vle h GLU 617 Cb -0.10 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.17 1vle h GLU 617 CO -0.05 0.66 0.49 0.37 -0.73 0.00 0.00 179.01 179.75 1vle h GLN 618 N 0.40 0.94 -0.07 1.92 4.15 -1.07 -1.88 115.11 119.51 1vle h GLN 618 Ca 0.10 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1vle h GLN 618 Cb 0.37 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 1vle h GLN 618 CO 0.01 0.62 0.04 -0.92 -1.93 0.00 0.00 178.83 176.65 1vle h TYR 619 N 0.97 0.08 -0.61 3.99 3.20 -0.58 -2.86 116.97 121.17 1vle h TYR 619 Ca 0.31 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.29 1vle h TYR 619 Cb -0.01 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.15 1vle h TYR 619 CO -0.03 0.06 0.16 0.35 -1.64 0.00 0.00 178.16 177.06 1vle h PHE 620 N 0.08 0.26 0.00 -3.82 3.57 -0.26 -0.99 116.94 115.78 1vle h PHE 620 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1vle h PHE 620 Cb -0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1vle h PHE 620 CO -0.07 -0.00 0.00 0.09 -2.23 0.00 0.00 178.31 176.10 1vle n ASN 621 N -5.10 0.25 -0.40 0.41 3.02 -0.77 -2.17 115.26 110.51 1vle n ASN 621 Ca 0.09 0.56 0.13 0.00 -0.03 0.00 0.00 54.58 55.33 1vle n ASN 621 Cb 0.32 -0.61 0.42 0.00 -0.61 0.00 0.00 39.78 39.30 1vle n ASN 621 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vle n ALA 622 N -1.60 2.83 -3.31 5.41 0.00 -0.38 -4.90 120.51 118.57 1vle n ALA 622 Ca 0.03 -0.45 -0.07 0.00 0.00 0.00 0.00 53.44 52.96 1vle n ALA 622 Cb 0.21 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.55 1vle n ALA 622 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vle n THR 623 N -0.14 0.00 1.38 0.00 -2.24 -0.92 -4.74 114.28 107.62 1vle n THR 623 Ca 0.15 -0.52 0.14 0.00 -2.27 0.00 0.00 64.05 61.55 1vle n THR 623 Cb 0.37 -0.63 0.49 0.00 -2.10 0.00 0.00 70.33 68.46 1vle n THR 623 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1vle n ASP 624 N -2.39 1.03 -0.34 3.42 10.43 -0.42 -4.32 116.55 123.96 1vle n ASP 624 Ca 0.02 -1.02 0.14 0.00 2.57 0.00 0.00 54.79 56.50 1vle n ASP 624 Cb 0.15 0.05 0.35 0.00 1.84 0.00 0.00 41.12 43.52 1vle n ASP 624 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 1vle h MET 625 N 1.39 0.68 -0.03 -1.24 2.86 -1.78 -1.29 114.93 115.52 1vle h MET 625 Ca 0.00 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1vle h MET 625 Cb 0.46 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1vle h MET 625 CO 0.00 0.45 0.26 -1.35 1.06 0.00 0.00 176.91 177.33 1vle h PRO 626 N 0.70 0.00 0.00 -0.22 0.11 -1.75 0.13 132.00 130.97 1vle h PRO 626 Ca 0.57 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.63 1vle h PRO 626 Cb 0.97 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1vle h PRO 626 CO -0.36 0.00 -0.26 0.87 -0.21 0.00 0.00 178.00 178.05 1vle h LYS 627 N 0.00 0.00 0.00 1.05 1.57 -1.56 -3.29 116.57 114.33 1vle h LYS 627 Ca 0.02 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.54 1vle h LYS 627 Cb 0.54 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 1vle h LYS 627 CO -0.00 0.26 -1.95 0.66 -0.57 0.00 0.00 179.45 177.85 1vle n TYR 628 N -3.78 0.00 -3.51 -1.35 4.02 0.37 -5.07 117.16 107.85 1vle n TYR 628 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.75 1vle n TYR 628 Cb 0.36 -0.68 -0.04 0.00 -0.02 0.00 0.00 39.34 38.96 1vle n TYR 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vle s MET 629 N -2.34 0.95 0.72 -0.72 0.23 -0.60 -5.10 119.30 112.44 1vle s MET 629 Ca -0.10 -0.07 -0.11 0.00 -1.03 0.00 0.00 55.69 54.38 1vle s MET 629 Cb 0.04 0.44 0.02 0.00 -1.53 0.00 0.00 34.83 33.81 1vle s MET 629 CO 0.53 -0.36 1.11 0.95 -2.03 0.00 0.00 175.02 175.23 1vle s THR 630 N -2.23 3.24 0.17 3.16 -4.23 -1.26 -3.76 115.64 110.73 1vle s THR 630 Ca -0.02 0.40 -0.14 0.00 -1.18 0.00 0.00 61.69 60.75 1vle s THR 630 Cb -0.01 -3.40 0.07 0.00 1.34 0.00 0.00 72.50 70.51 1vle s THR 630 CO -0.02 -0.53 1.74 -0.25 -0.54 0.00 0.00 174.62 175.03 1vle h TRP 631 N -0.72 0.26 -0.41 3.99 2.91 -1.97 -0.38 115.95 119.64 1vle h TRP 631 Ca -0.45 0.02 0.02 0.00 1.13 0.00 0.00 58.89 59.62 1vle h TRP 631 Cb 1.27 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 29.84 1vle h TRP 631 CO 0.47 0.08 0.22 -0.44 -1.03 0.00 0.00 178.44 177.75 1vle h ASP 632 N 0.31 0.34 -0.18 2.65 3.45 -1.98 0.31 116.42 121.33 1vle h ASP 632 Ca 0.21 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.68 1vle h ASP 632 Cb 0.22 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.93 1vle h ASP 632 CO -0.23 0.25 0.09 -0.33 -1.57 0.00 0.00 179.24 177.45 1vle h GLU 633 N 0.45 0.25 -0.21 3.56 5.08 -1.83 0.73 114.58 122.61 1vle h GLU 633 Ca 0.17 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1vle h GLU 633 Cb 0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1vle h GLU 633 CO -0.10 0.26 0.14 0.35 -1.00 0.00 0.00 179.01 178.66 1vle h PHE 634 N 0.17 0.26 -0.68 4.33 3.57 -0.78 0.46 116.94 124.27 1vle h PHE 634 Ca 0.06 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1vle h PHE 634 Cb 0.09 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 1vle h PHE 634 CO -0.03 0.16 0.37 0.35 -2.23 0.00 0.00 178.31 176.93 1vle h PHE 635 N 0.28 0.68 -0.24 0.41 3.57 -0.16 0.38 116.94 121.86 1vle h PHE 635 Ca 0.08 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1vle h PHE 635 Cb -0.03 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 1vle h PHE 635 CO -0.06 0.31 0.08 -0.22 -2.23 0.00 0.00 178.31 176.18 1vle h LYS 636 N 0.67 0.37 -0.26 1.11 3.64 -0.33 -3.21 116.57 118.56 1vle h LYS 636 Ca 0.31 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.54 1vle h LYS 636 Cb 0.23 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1vle h LYS 636 CO -0.20 0.44 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.05 1vle h LYS 637 N 0.22 0.56 0.00 1.90 3.64 -0.36 -3.48 116.57 119.05 1vle h LYS 637 Ca 0.08 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1vle h LYS 637 Cb 0.22 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1vle h LYS 637 CO -0.00 0.82 0.00 0.41 -2.27 0.00 0.00 179.45 178.41 1vle n GLY 638 N 0.01 3.09 3.45 5.01 0.00 0.13 -4.99 105.19 111.88 1vle n GLY 638 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 1vle n GLY 638 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1vle s TYR 639 N -2.58 -0.54 -0.04 1.61 -0.85 -1.26 0.08 117.35 113.77 1vle s TYR 639 Ca 0.00 0.76 0.01 0.00 -0.52 0.00 0.00 57.07 57.32 1vle s TYR 639 Cb 0.00 0.38 0.02 0.00 0.38 0.00 0.00 41.96 42.75 1vle s TYR 639 CO 0.00 -0.63 -0.02 0.12 -1.52 0.00 0.00 175.55 173.49 1vle s PHE 640 N -1.90 0.56 -0.39 -3.49 5.36 0.33 -4.97 117.98 113.47 1vle s PHE 640 Ca -0.08 -0.11 -0.17 0.00 -0.96 0.00 0.00 56.93 55.60 1vle s PHE 640 Cb -0.01 -0.56 0.01 0.00 -0.34 0.00 0.00 43.02 42.12 1vle s PHE 640 CO 0.03 -0.17 0.46 0.08 -1.46 0.00 0.00 175.22 174.16 1vle s VAL 641 N 1.02 5.06 0.24 3.12 1.01 -1.26 -0.95 120.40 128.64 1vle s VAL 641 Ca -0.10 -0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 1vle s VAL 641 Cb -0.14 -4.00 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 1vle s VAL 641 CO -0.01 -0.34 1.64 -0.69 0.00 0.00 0.00 175.10 175.70 1vle s VAL 642 N 2.23 2.15 0.93 2.92 1.01 -0.77 -4.28 120.40 124.58 1vle s VAL 642 Ca 0.14 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 1vle s VAL 642 Cb -0.16 -3.07 0.15 0.00 0.00 0.00 0.00 36.38 33.30 1vle s VAL 642 CO 0.14 0.01 1.13 -2.84 0.00 0.00 0.00 175.10 173.54 1vle s PRO 643 N 0.44 0.93 0.72 2.72 0.02 -1.26 -4.68 135.00 133.88 1vle s PRO 643 Ca 0.69 1.47 -0.12 0.00 0.02 0.00 0.00 61.00 63.06 1vle s PRO 643 Cb -0.48 -1.72 0.02 0.00 0.02 0.00 0.00 34.50 32.34 1vle s PRO 643 CO 0.39 -2.67 1.11 0.34 -0.33 0.00 0.00 177.00 175.84 1vle s ASP 644 N -2.71 5.34 -0.48 2.53 3.68 -1.26 -4.64 116.67 119.14 1vle s ASP 644 Ca 0.67 1.10 0.05 0.00 2.13 0.00 0.00 52.55 56.49 1vle s ASP 644 Cb -0.23 -1.86 0.18 0.00 -1.45 0.00 0.00 42.92 39.56 1vle s ASP 644 CO 0.58 -1.41 0.40 -3.20 0.13 0.00 0.00 175.17 171.68 1vle n ASN 645 N -3.04 0.50 0.11 -0.34 2.85 -1.26 -4.98 115.26 109.10 1vle n ASN 645 Ca 0.07 -2.63 0.09 0.00 -0.11 0.00 0.00 54.58 52.00 1vle n ASN 645 Cb 0.58 -0.61 0.44 0.00 1.24 0.00 0.00 39.78 41.42 1vle n ASN 645 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1vle n PRO 646 N 2.45 0.12 -0.08 1.20 -0.02 -1.26 -3.56 135.00 133.84 1vle n PRO 646 Ca 0.27 0.52 -0.13 0.00 -2.02 0.00 0.00 63.50 62.13 1vle n PRO 646 Cb 0.45 -1.81 -0.14 0.00 -0.02 0.00 0.00 33.50 31.98 1vle n PRO 646 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1vle n ASN 647 N -2.05 0.94 -4.53 2.55 3.02 -1.26 -4.97 115.26 108.95 1vle n ASN 647 Ca 0.00 0.05 -0.46 0.00 -0.03 0.00 0.00 54.58 54.14 1vle n ASN 647 Cb 0.10 0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.46 1vle n ASN 647 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1vle n ARG 648 N -3.02 0.93 -2.07 3.52 1.85 -1.23 -4.85 116.66 111.77 1vle n ARG 648 Ca -0.34 0.33 -0.37 0.00 -1.00 0.00 0.00 57.85 56.47 1vle n ARG 648 Cb 1.08 -1.61 0.02 0.00 -1.05 0.00 0.00 32.46 30.90 1vle n ARG 648 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1vle s LYS 649 N -1.22 3.34 -0.13 2.89 -2.85 -1.26 -4.97 119.74 115.54 1vle s LYS 649 Ca 0.62 1.88 -0.24 0.00 -1.00 0.00 0.00 55.97 57.24 1vle s LYS 649 Cb -0.79 -2.19 -0.03 0.00 -2.06 0.00 0.00 37.83 32.76 1vle s LYS 649 CO 0.58 -0.93 0.74 0.15 0.10 0.00 0.00 175.35 175.99 1vle s LYS 650 N -2.99 4.35 -0.41 1.78 -0.14 -1.26 -5.02 119.74 116.05 1vle s LYS 650 Ca 0.71 0.89 0.03 0.00 -1.36 0.00 0.00 55.97 56.23 1vle s LYS 650 Cb -0.31 -3.52 0.12 0.00 -1.68 0.00 0.00 37.83 32.43 1vle s LYS 650 CO 0.36 -0.14 0.16 0.95 -0.76 0.00 0.00 175.35 175.92 1vle s THR 651 N 1.50 1.97 0.34 2.17 -4.23 -1.26 -5.11 115.64 111.02 1vle s THR 651 Ca 0.36 -2.52 -0.28 0.00 -1.18 0.00 0.00 61.69 58.08 1vle s THR 651 Cb -0.17 -2.42 -0.09 0.00 1.34 0.00 0.00 72.50 71.16 1vle s THR 651 CO 0.15 -0.73 1.20 -0.69 -0.54 0.00 0.00 174.62 174.01 1vle s VAL 652 N 0.56 3.08 0.04 2.29 1.01 -1.26 -4.31 120.40 121.81 1vle s VAL 652 Ca 0.14 1.02 -0.37 0.00 0.00 0.00 0.00 61.98 62.77 1vle s VAL 652 Cb -0.22 -3.62 -0.17 0.00 0.00 0.00 0.00 36.38 32.37 1vle s VAL 652 CO -0.07 0.19 1.38 0.00 0.00 0.00 0.00 175.10 176.61 1vle n ALA 653 N 0.65 -0.93 -0.87 5.51 0.00 -0.63 -1.71 120.51 122.53 1vle n ALA 653 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1vle n ALA 653 Cb 0.44 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1vle n ALA 653 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vle n LEU 654 N 2.85 0.97 -0.10 0.00 4.77 -1.26 -4.40 117.00 119.83 1vle n LEU 654 Ca 0.19 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.10 1vle n LEU 654 Cb 0.18 -2.24 0.10 0.00 -2.33 0.00 0.00 43.42 39.13 1vle n LEU 654 CO 0.64 -0.87 0.74 -0.09 -1.33 0.00 0.00 177.39 176.49 1vle h ARG 655 N 0.00 0.80 -0.92 3.23 2.43 -1.45 -0.61 114.38 117.85 1vle h ARG 655 Ca 0.00 -0.30 0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1vle h ARG 655 Cb 0.77 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.20 1vle h ARG 655 CO 0.00 0.91 0.57 0.11 -1.51 0.00 0.00 179.97 180.06 1vle h TRP 656 N 0.71 1.05 -0.20 2.20 5.08 -1.88 -0.54 115.95 122.37 1vle h TRP 656 Ca 0.11 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 60.04 1vle h TRP 656 Cb 0.68 -0.34 -0.00 0.00 -3.00 0.00 0.00 29.16 26.50 1vle h TRP 656 CO 0.04 0.49 -0.15 0.35 -1.28 0.00 0.00 178.44 177.89 1vle h PHE 657 N 1.00 0.54 0.00 0.12 3.57 -1.67 -0.96 116.94 119.54 1vle h PHE 657 Ca 0.42 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1vle h PHE 657 Cb 0.27 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1vle h PHE 657 CO -0.02 0.79 -0.02 0.00 -2.23 0.00 0.00 178.31 176.82 1vle h ALA 658 N 0.67 1.78 -0.61 2.41 0.00 -0.47 -1.79 119.26 121.26 1vle h ALA 658 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vle h ALA 658 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1vle h ALA 658 CO 0.04 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.71 1vle n GLU 659 N -4.25 2.65 -3.48 0.00 1.02 -0.27 -4.98 120.64 111.33 1vle n GLU 659 Ca -0.03 -2.52 -0.25 0.00 -0.02 0.00 0.00 57.16 54.34 1vle n GLU 659 Cb 0.11 -1.54 0.05 0.00 -0.02 0.00 0.00 31.44 30.04 1vle n GLU 659 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vle n GLY 660 N 1.57 -0.53 1.64 0.62 0.00 -0.67 -5.00 105.19 102.81 1vle n GLY 660 Ca 0.22 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 1vle n GLY 660 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vle n ARG 661 N -4.60 1.15 -2.22 1.61 1.85 -0.41 -4.99 116.66 109.06 1vle n ARG 661 Ca -0.02 -1.67 -0.40 0.00 -1.00 0.00 0.00 57.85 54.76 1vle n ARG 661 Cb 0.57 0.64 -0.02 0.00 -1.05 0.00 0.00 32.46 32.59 1vle n ARG 661 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1vle s GLU 662 N -2.80 4.26 0.05 2.89 8.01 -1.26 -4.44 118.70 125.41 1vle s GLU 662 Ca 0.04 2.03 -0.34 0.00 0.01 0.00 0.00 54.97 56.71 1vle s GLU 662 Cb 0.00 -2.94 -0.12 0.00 -4.31 0.00 0.00 34.13 26.76 1vle s GLU 662 CO 0.03 -0.20 1.75 1.17 0.01 0.00 0.00 175.26 178.02 1vle n LYS 663 N 0.57 2.26 0.00 1.61 0.00 -0.99 -4.84 118.16 116.78 1vle n LYS 663 Ca 0.02 0.82 0.00 0.00 0.00 0.00 0.00 58.31 59.15 1vle n LYS 663 Cb 0.44 -2.65 0.00 0.00 0.00 0.00 0.00 35.03 32.82 1vle n LYS 663 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1vle n ASP 664 N 5.18 1.31 -4.76 3.14 5.75 -1.26 -5.07 116.55 120.84 1vle n ASP 664 Ca 0.20 -1.54 -0.25 0.00 -0.01 0.00 0.00 54.79 53.18 1vle n ASP 664 Cb 0.30 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.48 1vle n ASP 664 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1vle s THR 665 N -0.54 2.25 -2.02 2.12 -4.23 -1.26 -4.93 115.64 107.03 1vle s THR 665 Ca 0.00 -0.36 0.12 0.00 -1.18 0.00 0.00 61.69 60.27 1vle s THR 665 Cb 0.00 -2.90 0.32 0.00 1.34 0.00 0.00 72.50 71.26 1vle s THR 665 CO 0.00 0.00 1.42 -2.65 -0.54 0.00 0.00 174.62 172.85 1vle n PRO 666 N -2.95 1.11 -1.61 3.99 -0.02 -1.26 -4.94 135.00 129.32 1vle n PRO 666 Ca 0.11 -0.17 -0.38 0.00 -2.02 0.00 0.00 63.50 61.03 1vle n PRO 666 Cb 0.60 -1.19 0.05 0.00 -0.02 0.00 0.00 33.50 32.93 1vle n PRO 666 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1vle n ASP 667 N -0.51 0.85 0.00 2.55 2.03 -1.26 -4.87 116.55 115.34 1vle n ASP 667 Ca 0.09 0.84 0.03 0.00 0.52 0.00 0.00 54.79 56.28 1vle n ASP 667 Cb 0.08 -1.38 0.19 0.00 -0.72 0.00 0.00 41.12 39.29 1vle n ASP 667 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1vle n TRP 668 N -1.50 0.00 -3.84 -0.67 7.02 -1.26 -4.86 117.44 112.33 1vle n TRP 668 Ca 0.13 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.56 1vle n TRP 668 Cb 0.46 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.36 1vle n TRP 668 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1vle s GLY 669 N -1.23 0.11 0.79 6.99 0.00 -1.26 -4.64 107.32 108.07 1vle s GLY 669 Ca 0.10 -0.36 -0.11 0.00 0.00 0.00 0.00 44.72 44.35 1vle s GLY 669 CO 0.07 1.07 1.09 2.56 0.00 0.00 0.00 173.10 177.89 1vle s PRO 670 N -2.52 2.15 0.46 2.90 0.04 -1.26 -5.06 135.00 131.72 1vle s PRO 670 Ca 0.18 0.80 -0.22 0.00 0.04 0.00 0.00 61.00 61.80 1vle s PRO 670 Cb -0.03 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 1vle s PRO 670 CO 0.06 -1.61 1.11 1.03 0.04 0.00 0.00 177.00 177.63 1vle s ARG 671 N -5.06 3.80 0.33 4.56 0.52 -1.26 -4.92 118.95 116.92 1vle s ARG 671 Ca 0.61 1.62 0.12 0.00 -0.52 0.00 0.00 55.73 57.55 1vle s ARG 671 Cb -0.15 -2.32 0.98 0.00 0.52 0.00 0.00 34.95 33.97 1vle s ARG 671 CO 0.55 -0.48 1.70 -0.07 0.02 0.00 0.00 175.30 177.02 1vle h LEU 672 N 1.94 0.61 -0.52 2.53 3.38 -1.97 0.21 115.31 121.48 1vle h LEU 672 Ca -0.49 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1vle h LEU 672 Cb 1.24 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1vle h LEU 672 CO 0.60 0.01 0.00 -0.46 0.09 0.00 0.00 178.44 178.68 1vle n ASN 673 N -4.94 0.57 -1.44 -0.43 0.23 -1.26 -2.42 115.26 105.58 1vle n ASN 673 Ca 0.29 0.63 0.08 0.00 -0.53 0.00 0.00 54.58 55.05 1vle n ASN 673 Cb 0.85 -0.76 0.31 0.00 -2.08 0.00 0.00 39.78 38.10 1vle n ASN 673 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1vle n ASN 674 N -2.12 4.24 -4.05 0.53 5.03 0.73 -4.92 115.26 114.70 1vle n ASN 674 Ca 0.03 -2.41 -0.07 0.00 0.87 0.00 0.00 54.58 52.99 1vle n ASN 674 Cb 0.24 -0.55 -0.10 0.00 -1.02 0.00 0.00 39.78 38.36 1vle n ASN 674 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1vle s GLN 675 N -1.85 0.62 -0.33 3.52 -0.21 -1.01 -4.29 119.66 116.11 1vle s GLN 675 Ca 0.44 -1.12 -0.09 0.00 0.02 0.00 0.00 55.36 54.61 1vle s GLN 675 Cb 0.29 0.22 0.01 0.00 1.00 0.00 0.00 33.01 34.53 1vle s GLN 675 CO 0.21 -0.13 0.15 0.08 -2.12 0.00 0.00 175.29 173.49 1vle s VAL 676 N -3.68 4.45 -1.46 1.09 1.01 -1.25 -4.41 120.40 116.16 1vle s VAL 676 Ca 0.05 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1vle s VAL 676 Cb 0.06 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 33.13 1vle s VAL 676 CO -0.09 -0.02 0.88 0.00 0.00 0.00 0.00 175.10 175.86 1vle n ARG 678 N -4.48 -2.66 -4.41 0.00 1.85 -1.26 -4.84 116.66 100.85 1vle n ARG 678 Ca -0.02 0.32 -0.26 0.00 -1.00 0.00 0.00 57.85 56.89 1vle n ARG 678 Cb 0.57 -5.01 -0.11 0.00 -1.05 0.00 0.00 32.46 26.86 1vle n ARG 678 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1vle s LYS 679 N -6.75 1.49 0.00 2.89 1.02 -1.08 -2.34 119.74 114.98 1vle s LYS 679 Ca 0.67 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 55.13 1vle s LYS 679 Cb -0.37 -1.74 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 1vle s LYS 679 CO 0.83 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 176.03 1vle n GLY 680 N 0.16 -1.26 3.89 -3.33 0.00 -1.26 -3.81 105.19 99.59 1vle n GLY 680 Ca -0.12 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 1vle n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vle s LEU 681 N -3.91 2.55 0.57 0.99 1.43 0.20 -4.90 118.68 115.62 1vle s LEU 681 Ca 0.00 0.86 0.38 0.00 -1.03 0.00 0.00 54.13 54.34 1vle s LEU 681 Cb 0.00 -3.40 1.95 0.00 0.03 0.00 0.00 46.19 44.78 1vle s LEU 681 CO 0.00 -1.84 2.16 -0.61 0.23 0.00 0.00 176.35 176.29 1vle h GLN 682 N -1.01 0.00 -7.26 1.70 4.15 -1.76 -3.36 115.11 107.57 1vle h GLN 682 Ca -0.46 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.44 1vle h GLN 682 Cb 1.32 0.00 0.19 0.00 0.21 0.00 0.00 27.48 29.19 1vle h GLN 682 CO 0.65 0.00 0.25 0.95 -1.93 0.00 0.00 178.83 178.75 1vle s THR 683 N -3.92 2.15 0.15 2.39 -4.23 -1.26 -4.85 115.64 106.08 1vle s THR 683 Ca -0.03 0.05 -0.23 0.00 -1.18 0.00 0.00 61.69 60.30 1vle s THR 683 Cb 0.11 -2.17 0.03 0.00 1.34 0.00 0.00 72.50 71.81 1vle s THR 683 CO 0.41 -0.06 1.62 0.74 -0.54 0.00 0.00 174.62 176.79 1vle h THR 684 N -1.66 0.35 0.00 3.99 2.02 -1.90 -0.87 112.91 114.85 1vle h THR 684 Ca -0.44 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1vle h THR 684 Cb 1.27 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1vle h THR 684 CO 0.43 0.00 -0.06 0.71 0.37 0.00 0.00 175.52 176.97 1vle h THR 685 N -0.27 0.16 0.00 3.16 1.35 -1.91 -3.46 112.91 111.94 1vle h THR 685 Ca 0.14 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1vle h THR 685 Cb 0.48 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1vle h THR 685 CO -0.40 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.54 1vle n GLY 686 N 0.15 0.80 3.75 5.82 0.00 -0.33 -4.93 105.19 110.45 1vle n GLY 686 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1vle n GLY 686 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vle s LYS 687 N -0.22 2.22 -0.34 1.61 1.02 -1.26 -0.62 119.74 122.15 1vle s LYS 687 Ca 0.00 -1.87 -0.29 0.00 0.02 0.00 0.00 55.97 53.83 1vle s LYS 687 Cb 0.00 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1vle s LYS 687 CO 0.00 -0.14 1.37 0.08 -0.92 0.00 0.00 175.35 175.73 1vle s VAL 688 N -2.62 4.01 -0.75 3.17 1.01 0.46 -4.76 120.40 120.92 1vle s VAL 688 Ca 0.40 1.11 -0.18 0.00 0.00 0.00 0.00 61.98 63.30 1vle s VAL 688 Cb 0.04 -4.14 0.13 0.00 0.00 0.00 0.00 36.38 32.41 1vle s VAL 688 CO 0.22 -0.58 0.87 -1.61 0.00 0.00 0.00 175.10 174.00 1vle s GLU 689 N 4.51 3.34 0.62 2.72 2.02 0.26 -0.96 118.70 131.21 1vle s GLU 689 Ca 0.59 -1.66 0.38 0.00 0.02 0.00 0.00 54.97 54.30 1vle s GLU 689 Cb -0.16 -4.50 2.07 0.00 0.10 0.00 0.00 34.13 31.63 1vle s GLU 689 CO 0.27 -1.58 2.27 0.74 0.02 0.00 0.00 175.26 176.98 1vle h PHE 690 N 8.81 0.00 -3.57 1.61 -1.00 -1.62 -3.05 116.94 118.13 1vle h PHE 690 Ca -0.07 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 60.07 1vle h PHE 690 Cb 1.06 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.22 1vle h PHE 690 CO 0.99 0.01 -0.73 0.42 -1.61 0.00 0.00 178.31 177.40 1vle s ILE 691 N -4.24 1.97 0.00 -0.55 1.01 -1.24 -1.87 121.20 116.29 1vle s ILE 691 Ca -0.04 -2.14 -0.30 0.00 0.00 0.00 0.00 60.65 58.16 1vle s ILE 691 Cb 0.13 -2.46 -0.07 0.00 0.01 0.00 0.00 42.46 40.07 1vle s ILE 691 CO 0.48 -0.62 1.63 0.00 0.00 0.00 0.00 174.94 176.43 1vle s ALA 692 N 1.05 3.64 0.27 9.38 0.00 0.89 -4.87 121.76 132.12 1vle s ALA 692 Ca 0.11 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.15 1vle s ALA 692 Cb -0.19 -3.71 0.37 0.00 0.00 0.00 0.00 23.12 19.59 1vle s ALA 692 CO -0.12 -1.22 1.66 1.79 0.00 0.00 0.00 175.76 177.88 1vle h THR 693 N 5.18 1.30 -0.01 0.00 1.35 -1.88 -0.83 112.91 118.03 1vle h THR 693 Ca -0.41 -1.53 -0.00 0.00 -0.55 0.00 0.00 66.41 63.93 1vle h THR 693 Cb 1.19 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1vle h THR 693 CO 0.94 0.47 0.00 0.77 -0.25 0.00 0.00 175.52 177.45 1vle h SER 694 N 0.30 0.01 0.10 5.36 4.64 -1.90 -0.83 113.55 121.24 1vle h SER 694 Ca 0.03 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.12 1vle h SER 694 Cb 0.84 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1vle h SER 694 CO 0.07 0.15 -0.29 -0.07 -0.87 0.00 0.00 176.83 175.82 1vle h LEU 695 N -0.13 0.30 -0.63 5.97 3.38 -1.88 -0.84 115.31 121.48 1vle h LEU 695 Ca 0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1vle h LEU 695 Cb 0.14 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1vle h LEU 695 CO -0.00 0.59 0.04 0.50 0.09 0.00 0.00 178.44 179.66 1vle h LYS 696 N 0.26 1.09 -0.20 1.13 3.64 -0.91 0.34 116.57 121.92 1vle h LYS 696 Ca 0.04 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1vle h LYS 696 Cb 0.65 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1vle h LYS 696 CO 0.05 1.03 0.09 -0.91 -2.27 0.00 0.00 179.45 177.44 1vle h ASN 697 N 1.00 0.28 -0.30 4.20 -0.26 -0.71 -1.71 115.58 118.08 1vle h ASN 697 Ca 0.18 -0.15 0.06 0.00 -0.56 0.00 0.00 56.30 55.83 1vle h ASN 697 Cb 0.52 -0.07 -0.05 0.00 -1.06 0.00 0.00 38.32 37.65 1vle h ASN 697 CO 0.02 0.36 -0.05 0.15 -1.06 0.00 0.00 177.43 176.85 1vle h PHE 698 N 0.18 -0.11 -0.14 1.19 3.57 -0.77 -1.44 116.94 119.41 1vle h PHE 698 Ca 0.07 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 1vle h PHE 698 Cb 0.16 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1vle h PHE 698 CO -0.01 -0.10 -0.44 1.05 -2.23 0.00 0.00 178.31 176.57 1vle h GLU 699 N 0.03 0.34 0.00 1.11 4.11 -0.87 -2.35 114.58 116.95 1vle h GLU 699 Ca 0.14 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1vle h GLU 699 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1vle h GLU 699 CO -0.29 0.72 0.00 0.39 0.07 0.00 0.00 179.01 179.91 1vle n GLU 700 N -4.00 0.10 0.00 1.06 1.02 -0.65 -1.83 120.64 116.34 1vle n GLU 700 Ca -0.02 0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.35 1vle n GLU 700 Cb 0.51 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.74 1vle n GLU 700 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1vle n GLN 701 N -1.43 0.02 0.00 3.49 6.02 -0.58 -4.92 117.38 119.97 1vle n GLN 701 Ca 0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1vle n GLN 701 Cb 0.24 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1vle n GLN 701 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vle n GLY 702 N 1.50 1.28 3.43 1.08 0.00 -0.76 -5.05 105.19 106.67 1vle n GLY 702 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1vle n GLY 702 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vle n TYR 703 N -0.25 4.62 -2.39 1.61 4.02 -1.08 -4.97 117.16 118.71 1vle n TYR 703 Ca 0.00 -3.07 -0.42 0.00 -0.01 0.00 0.00 57.90 54.40 1vle n TYR 703 Cb 0.00 -2.40 -0.03 0.00 -0.02 0.00 0.00 39.34 36.90 1vle n TYR 703 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1vle s ILE 704 N 2.76 4.04 -0.33 -0.72 -1.09 -1.26 -4.15 121.20 120.44 1vle s ILE 704 Ca 0.48 1.42 0.01 0.00 -2.23 0.00 0.00 60.65 60.33 1vle s ILE 704 Cb 0.02 -3.91 0.14 0.00 -1.58 0.00 0.00 42.46 37.13 1vle s ILE 704 CO 0.03 0.05 0.30 -0.62 -1.23 0.00 0.00 174.94 173.47 1vle s ASP 705 N 1.35 1.89 0.43 3.58 -1.08 -1.26 -4.98 116.67 116.60 1vle s ASP 705 Ca 0.59 -1.38 0.16 0.00 -0.52 0.00 0.00 52.55 51.39 1vle s ASP 705 Cb -0.28 0.28 1.05 0.00 -1.46 0.00 0.00 42.92 42.51 1vle s ASP 705 CO 0.26 -0.33 1.92 -0.08 0.52 0.00 0.00 175.17 177.46 1vle h GLU 706 N 7.59 0.40 -0.53 4.34 4.81 -2.02 -2.02 114.58 127.15 1vle h GLU 706 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1vle h GLU 706 Cb 1.04 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1vle h GLU 706 CO 0.28 0.27 0.00 0.72 -0.73 0.00 0.00 179.01 179.55 1vle n HIS 707 N -4.48 0.67 -2.93 0.92 8.25 -1.26 -4.14 115.22 112.25 1vle n HIS 707 Ca 0.14 -0.27 -0.14 0.00 -0.26 0.00 0.00 57.72 57.19 1vle n HIS 707 Cb 0.53 -0.12 0.02 0.00 1.12 0.00 0.00 29.99 31.54 1vle n HIS 707 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1vle n ARG 708 N 0.43 0.92 -1.82 -0.41 0.63 -0.76 -4.76 116.66 110.88 1vle n ARG 708 Ca 0.12 -2.50 -0.35 0.00 -0.92 0.00 0.00 57.85 54.19 1vle n ARG 708 Cb 0.45 -1.34 0.05 0.00 0.45 0.00 0.00 32.46 32.08 1vle n ARG 708 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1vle s PRO 709 N -0.65 2.70 0.50 -0.14 0.04 -1.24 -4.84 135.00 131.37 1vle s PRO 709 Ca 0.31 1.82 0.21 0.00 0.04 0.00 0.00 61.00 63.37 1vle s PRO 709 Cb 0.28 -1.90 1.31 0.00 0.04 0.00 0.00 34.50 34.24 1vle s PRO 709 CO -0.10 -1.41 2.09 0.66 0.04 0.00 0.00 177.00 178.27 1vle h SER 710 N 0.50 0.00 -3.34 6.66 4.64 -1.89 -3.40 113.55 116.72 1vle h SER 710 Ca -0.50 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.21 1vle h SER 710 Cb 1.30 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.23 1vle h SER 710 CO 0.53 0.10 -0.56 -0.32 -0.87 0.00 0.00 176.83 175.71 1vle s MET 711 N -4.60 3.96 -0.13 4.77 -2.45 -1.26 -0.07 119.30 119.51 1vle s MET 711 Ca -0.04 -0.35 -0.29 0.00 -1.25 0.00 0.00 55.69 53.76 1vle s MET 711 Cb 0.15 -3.25 -0.06 0.00 1.25 0.00 0.00 34.83 32.92 1vle s MET 711 CO 0.64 0.22 2.14 1.58 1.05 0.00 0.00 175.02 180.65 1vle n HIS 712 N 3.70 2.16 -4.26 4.11 -0.00 -0.78 -4.93 115.22 115.23 1vle n HIS 712 Ca -0.16 -0.22 -0.16 0.00 0.46 0.00 0.00 57.72 57.64 1vle n HIS 712 Cb 0.52 -2.76 -0.09 0.00 -0.12 0.00 0.00 29.99 27.54 1vle n HIS 712 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1vle s THR 713 N 6.98 0.11 -1.19 3.57 -4.23 -1.26 -5.05 115.64 114.57 1vle s THR 713 Ca 0.97 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.30 1vle s THR 713 Cb -0.37 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.05 1vle s THR 713 CO 0.38 0.00 1.56 -0.47 -0.54 0.00 0.00 174.62 175.55 1vle s TYR 714 N -3.84 2.94 -0.33 3.99 5.04 -1.26 -4.91 117.35 118.98 1vle s TYR 714 Ca 0.39 -1.59 -0.25 0.00 -2.44 0.00 0.00 57.07 53.18 1vle s TYR 714 Cb 0.05 -4.60 0.01 0.00 0.35 0.00 0.00 41.96 37.77 1vle s TYR 714 CO 0.17 -1.70 0.87 0.08 -1.34 0.00 0.00 175.55 173.63 1vle s VAL 715 N 3.58 4.68 0.18 3.14 1.01 -1.26 -5.00 120.40 126.74 1vle s VAL 715 Ca 0.48 1.25 -0.33 0.00 0.00 0.00 0.00 61.98 63.38 1vle s VAL 715 Cb 0.01 -4.25 -0.13 0.00 0.00 0.00 0.00 36.38 32.01 1vle s VAL 715 CO 0.01 -0.39 1.66 -2.65 0.00 0.00 0.00 175.10 173.74 1vle n PRO 716 N 6.49 2.46 -1.68 2.72 -0.02 -1.26 -4.87 135.00 138.85 1vle n PRO 716 Ca 0.06 0.89 -0.47 0.00 -2.02 0.00 0.00 63.50 61.96 1vle n PRO 716 Cb 0.48 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 1vle n PRO 716 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vle n ALA 717 N 3.82 1.20 0.28 3.55 0.00 -1.26 -4.84 120.51 123.26 1vle n ALA 717 Ca 0.17 0.35 0.15 0.00 0.00 0.00 0.00 53.44 54.10 1vle n ALA 717 Cb 0.32 -2.45 0.71 0.00 0.00 0.00 0.00 19.45 18.03 1vle n ALA 717 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1vle h TRP 718 N 7.89 0.00 -2.68 0.00 5.08 -1.89 -3.15 115.95 121.19 1vle h TRP 718 Ca -0.47 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 58.90 1vle h TRP 718 Cb 1.26 0.00 -0.41 0.00 -3.00 0.00 0.00 29.16 27.01 1vle h TRP 718 CO 0.77 0.00 -0.69 -1.91 -1.28 0.00 0.00 178.44 175.33 1vle n GLU 719 N -2.56 1.57 -4.21 0.12 2.13 -1.26 -4.51 120.64 111.91 1vle n GLU 719 Ca -0.01 -4.18 -0.12 0.00 0.66 0.00 0.00 57.16 53.51 1vle n GLU 719 Cb 0.14 -2.08 -0.10 0.00 0.27 0.00 0.00 31.44 29.66 1vle n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1vle s SER 720 N -1.36 1.27 0.44 4.31 1.04 -1.19 -4.44 113.70 113.76 1vle s SER 720 Ca 0.30 -1.08 0.12 0.00 0.48 0.00 0.00 55.95 55.76 1vle s SER 720 Cb 0.03 0.09 0.97 0.00 0.10 0.00 0.00 66.02 67.21 1vle s SER 720 CO -0.14 -0.49 2.03 1.56 0.98 0.00 0.00 173.24 177.17 1vle h GLN 721 N 2.81 0.20 -0.01 4.02 4.20 -1.91 -2.82 115.11 121.60 1vle h GLN 721 Ca -0.36 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1vle h GLN 721 Cb 1.19 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1vle h GLN 721 CO 0.64 0.23 -0.26 0.36 -0.67 0.00 0.00 178.83 179.13 1vle n LYS 722 N -4.40 1.68 -0.01 1.46 2.85 -1.26 -4.53 118.16 113.95 1vle n LYS 722 Ca -0.01 -0.86 0.00 0.00 -1.05 0.00 0.00 58.31 56.40 1vle n LYS 722 Cb 0.17 -1.24 0.01 0.00 -0.65 0.00 0.00 35.03 33.32 1vle n LYS 722 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1vle n HIS 723 N -0.00 0.03 -4.56 5.58 8.25 -1.20 -5.00 115.22 118.31 1vle n HIS 723 Ca 0.06 -0.48 -0.25 0.00 -0.26 0.00 0.00 57.72 56.80 1vle n HIS 723 Cb 0.32 -0.05 -0.17 0.00 1.12 0.00 0.00 29.99 31.22 1vle n HIS 723 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1vle s SER 724 N -0.96 1.81 0.54 0.41 0.15 -1.07 -4.81 113.70 109.77 1vle s SER 724 Ca 0.01 -0.30 0.25 0.00 0.70 0.00 0.00 55.95 56.61 1vle s SER 724 Cb 0.01 -0.84 1.41 0.00 -1.71 0.00 0.00 66.02 64.90 1vle s SER 724 CO 0.01 0.03 2.02 -0.65 1.20 0.00 0.00 173.24 175.84 1vle h PRO 725 N 7.02 0.00 0.00 5.44 0.11 -1.90 -0.88 132.00 141.79 1vle h PRO 725 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1vle h PRO 725 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1vle h PRO 725 CO 0.47 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.19 1vle h LEU 726 N 0.00 0.00 -1.69 2.35 4.07 -1.94 -2.55 115.31 115.55 1vle h LEU 726 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1vle h LEU 726 Cb 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 1vle h LEU 726 CO -0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 1vle h ALA 727 N 2.03 1.00 -0.66 1.53 0.00 -1.32 0.16 119.26 122.00 1vle h ALA 727 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1vle h ALA 727 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1vle h ALA 727 CO 0.00 0.00 0.10 0.28 0.00 0.00 0.00 179.25 179.63 1vle h VAL 728 N 0.00 1.26 0.11 0.00 2.07 -1.67 -2.70 116.25 115.32 1vle h VAL 728 Ca 0.00 -1.05 -0.36 0.00 0.82 0.00 0.00 66.70 66.11 1vle h VAL 728 Cb 0.38 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1vle h VAL 728 CO 0.00 0.39 -1.98 0.29 0.02 0.00 0.00 177.57 176.30 1vle n LYS 729 N -4.22 0.75 -3.90 1.57 5.02 -0.98 -4.65 118.16 111.75 1vle n LYS 729 Ca 0.04 0.26 -0.28 0.00 -2.02 0.00 0.00 58.31 56.31 1vle n LYS 729 Cb 0.30 -1.72 -0.12 0.00 -0.02 0.00 0.00 35.03 33.47 1vle n LYS 729 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1vle s TYR 730 N -2.56 3.50 -0.83 2.13 2.02 0.51 -4.70 117.35 117.42 1vle s TYR 730 Ca -0.21 -3.31 0.20 0.00 -0.37 0.00 0.00 57.07 53.38 1vle s TYR 730 Cb 0.07 -2.70 0.82 0.00 -0.40 0.00 0.00 41.96 39.75 1vle s TYR 730 CO 0.77 -0.57 1.62 -0.35 -1.57 0.00 0.00 175.55 175.46 1vle n PRO 731 N 2.10 0.08 -3.47 -1.71 -0.04 -1.02 -3.86 135.00 127.07 1vle n PRO 731 Ca 0.18 0.26 -0.37 0.00 -0.04 0.00 0.00 63.50 63.53 1vle n PRO 731 Cb 0.35 -1.63 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 1vle n PRO 731 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vle s LEU 732 N -3.54 4.23 -0.26 1.53 1.43 -0.50 -4.94 118.68 116.63 1vle s LEU 732 Ca 0.07 0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 53.51 1vle s LEU 732 Cb 0.11 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1vle s LEU 732 CO 0.36 0.04 0.70 -0.83 0.23 0.00 0.00 176.35 176.86 1vle s GLY 733 N 0.64 1.78 -0.10 -3.19 0.00 -0.74 -0.54 107.32 105.17 1vle s GLY 733 Ca 0.18 -0.37 -0.01 0.00 0.00 0.00 0.00 44.72 44.53 1vle s GLY 733 CO 0.06 1.58 -0.05 -0.29 0.00 0.00 0.00 173.10 174.40 1vle s MET 734 N 2.66 3.08 0.01 2.90 1.75 0.15 -1.28 119.30 128.57 1vle s MET 734 Ca 0.29 -0.52 0.08 0.00 -1.25 0.00 0.00 55.69 54.30 1vle s MET 734 Cb -0.15 -2.72 -0.02 0.00 2.84 0.00 0.00 34.83 34.77 1vle s MET 734 CO 0.09 0.54 -0.26 -0.48 -0.65 0.00 0.00 175.02 174.26 1vle s LEU 735 N -0.45 2.11 -0.49 4.11 2.34 -1.06 -2.31 118.68 122.93 1vle s LEU 735 Ca 0.07 -0.52 0.05 0.00 0.06 0.00 0.00 54.13 53.79 1vle s LEU 735 Cb -0.12 -1.28 0.20 0.00 -0.56 0.00 0.00 46.19 44.43 1vle s LEU 735 CO 0.02 0.28 0.46 -1.54 -1.06 0.00 0.00 176.35 174.51 1vle n SER 736 N 2.12 0.82 -3.05 1.48 3.41 -1.26 -2.68 113.62 114.46 1vle n SER 736 Ca -0.16 -2.73 -0.15 0.00 -0.26 0.00 0.00 58.87 55.56 1vle n SER 736 Cb 0.52 -0.63 0.13 0.00 -0.26 0.00 0.00 64.21 63.97 1vle n SER 736 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1vle n PRO 737 N 2.09 -2.50 -2.45 4.33 -0.02 -1.26 -3.76 135.00 131.43 1vle n PRO 737 Ca 0.26 -0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 60.51 1vle n PRO 737 Cb 0.46 -0.85 -0.04 0.00 -0.02 0.00 0.00 33.50 33.05 1vle n PRO 737 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1vle s HIS 738 N -1.85 3.51 0.14 6.00 3.76 -1.26 -1.16 115.29 124.43 1vle s HIS 738 Ca 0.35 1.51 -0.35 0.00 -0.15 0.00 0.00 55.06 56.42 1vle s HIS 738 Cb -0.04 -3.35 -0.15 0.00 1.11 0.00 0.00 32.58 30.15 1vle s HIS 738 CO 0.27 -0.89 1.46 -0.35 -0.85 0.00 0.00 174.74 174.38 1vle n PRO 739 N 2.47 1.72 -0.13 8.40 -0.04 -1.26 -4.86 135.00 141.30 1vle n PRO 739 Ca 0.04 0.62 -0.09 0.00 -0.04 0.00 0.00 63.50 64.02 1vle n PRO 739 Cb 0.45 -2.33 -0.01 0.00 -0.04 0.00 0.00 33.50 31.58 1vle n PRO 739 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1vle h ARG 740 N 5.22 0.60 -0.79 0.54 9.65 -1.93 -3.27 114.38 124.40 1vle h ARG 740 Ca -0.46 -0.13 -0.42 0.00 -1.10 0.00 0.00 59.98 57.88 1vle h ARG 740 Cb 1.29 -0.09 -0.25 0.00 -1.39 0.00 0.00 29.97 29.54 1vle h ARG 740 CO 0.83 0.60 0.41 1.19 2.80 0.00 0.00 179.97 185.81 1vle n PHE 741 N -4.62 2.44 -3.55 2.20 3.01 -1.26 -4.85 117.46 110.83 1vle n PHE 741 Ca -0.01 -1.81 -0.16 0.00 1.01 0.00 0.00 57.45 56.49 1vle n PHE 741 Cb 0.17 -0.81 -0.06 0.00 -0.01 0.00 0.00 39.48 38.77 1vle n PHE 741 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1vle s SER 742 N -1.73 -0.64 -1.04 4.37 0.15 -1.23 -4.25 113.70 109.32 1vle s SER 742 Ca 0.53 0.83 -0.16 0.00 0.70 0.00 0.00 55.95 57.85 1vle s SER 742 Cb 0.46 0.70 0.16 0.00 -1.71 0.00 0.00 66.02 65.62 1vle s SER 742 CO 0.07 -0.50 1.23 -0.32 1.20 0.00 0.00 173.24 174.93 1vle s MET 743 N -0.84 3.82 7.52 5.44 1.75 -1.13 -4.51 119.30 131.36 1vle s MET 743 Ca -0.07 -2.19 0.00 0.00 -1.25 0.00 0.00 55.69 52.18 1vle s MET 743 Cb -0.01 -4.94 0.00 0.00 2.84 0.00 0.00 34.83 32.72 1vle s MET 743 CO 0.07 -1.73 0.00 0.72 -0.65 0.00 0.00 175.02 173.43 1vle n HIS 744 N 5.90 0.00 0.36 4.11 8.25 -1.26 -1.26 115.22 131.33 1vle n HIS 744 Ca 0.29 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.87 1vle n HIS 744 Cb 0.46 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.84 1vle n HIS 744 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1vle h THR 745 N 0.00 0.00 -0.69 1.59 1.35 -1.89 -3.41 112.91 109.86 1vle h THR 745 Ca 0.00 -0.79 -0.67 0.00 -0.55 0.00 0.00 66.41 64.40 1vle h THR 745 Cb 0.00 1.79 -0.07 0.00 -1.73 0.00 0.00 68.15 68.14 1vle h THR 745 CO 0.00 0.00 2.29 0.23 -0.25 0.00 0.00 175.52 177.79 1vle n MET 746 N -2.80 3.04 0.00 4.72 2.81 -0.39 -3.13 117.12 121.37 1vle n MET 746 Ca 0.04 -3.11 0.00 0.00 -1.81 0.00 0.00 57.70 52.82 1vle n MET 746 Cb 0.48 -3.47 0.00 0.00 -0.71 0.00 0.00 33.22 29.52 1vle n MET 746 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1vle n GLY 747 N 5.21 1.91 3.87 3.03 0.00 -1.26 -2.84 105.19 115.11 1vle n GLY 747 Ca 0.49 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 1vle n GLY 747 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vle s ASP 748 N 0.00 6.27 0.95 1.61 2.15 -1.18 -4.65 116.67 121.82 1vle s ASP 748 Ca 0.00 1.43 0.00 0.00 0.43 0.00 0.00 52.55 54.41 1vle s ASP 748 Cb 0.00 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1vle s ASP 748 CO 0.00 -0.84 0.00 0.61 -0.17 0.00 0.00 175.17 174.77 1vle n GLY 749 N -2.63 1.38 2.77 2.66 0.00 -1.26 -4.74 105.19 103.37 1vle n GLY 749 Ca 0.06 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 1vle n GLY 749 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vle n LYS 750 N 2.58 -1.85 -2.79 1.61 5.02 -1.26 -1.38 118.16 120.09 1vle n LYS 750 Ca 0.00 0.61 -0.22 0.00 -2.02 0.00 0.00 58.31 56.68 1vle n LYS 750 Cb 0.00 -4.90 0.02 0.00 -0.02 0.00 0.00 35.03 30.13 1vle n LYS 750 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1vle n ASN 751 N -0.69 -5.96 -4.86 4.39 5.15 -1.26 -4.37 115.26 107.66 1vle n ASN 751 Ca -0.05 -0.18 -0.29 0.00 -0.60 0.00 0.00 54.58 53.46 1vle n ASN 751 Cb 0.49 -4.87 0.09 0.00 -0.53 0.00 0.00 39.78 34.95 1vle n ASN 751 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1vle s SER 752 N -2.45 4.56 0.32 1.20 1.04 -0.48 -4.92 113.70 112.97 1vle s SER 752 Ca 0.19 0.96 0.06 0.00 0.48 0.00 0.00 55.95 57.64 1vle s SER 752 Cb -0.08 -1.57 0.56 0.00 0.10 0.00 0.00 66.02 65.02 1vle s SER 752 CO 0.23 -1.89 1.78 1.88 0.98 0.00 0.00 173.24 176.23 1vle h TYR 753 N -1.04 0.35 -0.49 5.02 0.05 -1.86 -2.97 116.97 116.04 1vle h TYR 753 Ca -0.47 -0.07 0.14 0.00 0.05 0.00 0.00 58.73 58.39 1vle h TYR 753 Cb 1.30 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.94 1vle h TYR 753 CO 0.37 0.55 0.42 0.52 -1.05 0.00 0.00 178.16 178.98 1vle h MET 754 N 0.29 0.00 0.00 4.88 2.86 -1.88 -1.12 114.93 119.96 1vle h MET 754 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1vle h MET 754 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1vle h MET 754 CO 0.04 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.10 1vle n ASN 755 N -4.03 0.47 -0.54 1.22 3.02 -1.12 -1.88 115.26 112.39 1vle n ASN 755 Ca 0.09 0.64 0.13 0.00 -0.03 0.00 0.00 54.58 55.41 1vle n ASN 755 Cb 0.63 -0.73 0.35 0.00 -0.61 0.00 0.00 39.78 39.42 1vle n ASN 755 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1vle n TYR 756 N -2.04 0.00 -2.21 3.10 4.02 -0.42 -4.36 117.16 115.24 1vle n TYR 756 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1vle n TYR 756 Cb 0.16 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 1vle n TYR 756 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1vle s ILE 757 N -2.15 3.42 0.27 -0.72 1.01 -0.79 -4.92 121.20 117.33 1vle s ILE 757 Ca 0.31 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.99 1vle s ILE 757 Cb 0.20 -3.65 0.26 0.00 0.01 0.00 0.00 42.46 39.28 1vle s ILE 757 CO 0.39 0.08 1.76 0.11 0.00 0.00 0.00 174.94 177.28 1vle h LYS 758 N 6.79 0.64 -0.79 2.79 1.57 -1.90 -1.76 116.57 123.91 1vle h LYS 758 Ca -0.42 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.15 1vle h LYS 758 Cb 1.21 -0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.28 1vle h LYS 758 CO 0.86 0.42 0.21 -3.47 -0.57 0.00 0.00 179.45 176.90 1vle n ASP 759 N -4.85 4.46 -0.01 0.86 2.03 -1.26 -4.39 116.55 113.39 1vle n ASP 759 Ca 0.19 -3.00 -0.04 0.00 0.52 0.00 0.00 54.79 52.46 1vle n ASP 759 Cb 0.48 -0.71 -0.01 0.00 -0.72 0.00 0.00 41.12 40.16 1vle n ASP 759 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1vle n HIS 760 N -0.02 0.00 -4.04 -0.67 -0.00 -0.67 -4.96 115.22 104.87 1vle n HIS 760 Ca 0.34 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.41 1vle n HIS 760 Cb 1.22 -0.21 -0.11 0.00 -0.12 0.00 0.00 29.99 30.77 1vle n HIS 760 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1vle s ARG 761 N -2.26 0.46 -0.16 1.57 0.52 -1.20 -3.84 118.95 114.04 1vle s ARG 761 Ca -0.12 -0.75 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 1vle s ARG 761 Cb 0.02 -0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.37 1vle s ARG 761 CO 0.18 0.00 -0.17 0.08 0.02 0.00 0.00 175.30 175.41 1vle s VAL 762 N -1.61 2.45 -0.06 3.52 1.01 0.67 -4.67 120.40 121.71 1vle s VAL 762 Ca -0.11 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 1vle s VAL 762 Cb -0.09 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1vle s VAL 762 CO -0.01 0.52 1.02 -0.70 0.00 0.00 0.00 175.10 175.94 1vle s GLU 763 N 0.90 4.47 -0.26 2.72 2.12 -1.26 0.06 118.70 127.44 1vle s GLU 763 Ca -0.04 1.44 -0.02 0.00 0.36 0.00 0.00 54.97 56.71 1vle s GLU 763 Cb -0.15 -3.51 0.08 0.00 0.26 0.00 0.00 34.13 30.82 1vle s GLU 763 CO -0.02 -0.23 0.07 0.08 -0.54 0.00 0.00 175.26 174.62 1vle s VAL 764 N 1.63 0.63 -1.23 3.70 1.01 0.11 -4.84 120.40 121.42 1vle s VAL 764 Ca 0.51 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1vle s VAL 764 Cb -0.20 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1vle s VAL 764 CO 0.22 -0.48 1.05 0.47 0.00 0.00 0.00 175.10 176.37 1vle n ASP 765 N 4.98 -4.24 0.00 3.32 8.00 -1.26 -2.98 116.55 124.36 1vle n ASP 765 Ca -0.06 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.89 1vle n ASP 765 Cb 0.44 -4.88 0.00 0.00 -0.02 0.00 0.00 41.12 36.66 1vle n ASP 765 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vle n GLY 766 N -1.56 1.83 3.43 0.44 0.00 -1.26 -5.04 105.19 103.02 1vle n GLY 766 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1vle n GLY 766 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vle s TYR 767 N -2.34 2.79 -0.59 1.61 5.04 -1.16 -5.08 117.35 117.62 1vle s TYR 767 Ca 0.00 -0.40 -0.21 0.00 -2.44 0.00 0.00 57.07 54.02 1vle s TYR 767 Cb 0.00 -1.76 0.07 0.00 0.35 0.00 0.00 41.96 40.62 1vle s TYR 767 CO 0.00 -0.02 0.84 0.15 -1.34 0.00 0.00 175.55 175.18 1vle s LYS 768 N -0.13 3.14 0.29 4.97 1.02 -1.26 0.09 119.74 127.86 1vle s LYS 768 Ca -0.01 -0.85 -0.18 0.00 0.02 0.00 0.00 55.97 54.95 1vle s LYS 768 Cb -0.14 -4.18 -0.09 0.00 -0.52 0.00 0.00 37.83 32.91 1vle s LYS 768 CO 0.03 -1.58 0.77 0.71 -0.92 0.00 0.00 175.35 174.36 1vle s TYR 769 N 3.46 3.50 0.50 3.18 1.51 0.11 -4.72 117.35 124.89 1vle s TYR 769 Ca 0.20 1.36 -0.20 0.00 -1.01 0.00 0.00 57.07 57.42 1vle s TYR 769 Cb -0.18 -2.63 -0.07 0.00 -0.11 0.00 0.00 41.96 38.97 1vle s TYR 769 CO 0.11 0.18 1.09 -0.46 -1.11 0.00 0.00 175.55 175.36 1vle s TRP 770 N -1.79 2.87 -0.04 2.71 -0.11 -1.26 -0.24 118.94 121.08 1vle s TRP 770 Ca 0.50 1.56 -0.13 0.00 1.22 0.00 0.00 56.10 59.26 1vle s TRP 770 Cb -0.13 -3.20 -0.05 0.00 -1.50 0.00 0.00 33.47 28.59 1vle s TRP 770 CO 0.19 -1.20 0.33 0.42 -4.62 0.00 0.00 176.95 172.07 1vle s ILE 771 N -1.82 5.17 -0.09 5.86 1.01 -1.25 -0.08 121.20 130.00 1vle s ILE 771 Ca 0.68 0.66 0.02 0.00 0.00 0.00 0.00 60.65 62.01 1vle s ILE 771 Cb -0.21 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1vle s ILE 771 CO 0.25 0.59 -0.13 -0.32 0.00 0.00 0.00 174.94 175.32 1vle s MET 772 N -1.04 1.95 -0.10 2.79 -2.45 -0.66 -4.42 119.30 115.38 1vle s MET 772 Ca 0.21 -0.48 -0.18 0.00 -1.25 0.00 0.00 55.69 54.00 1vle s MET 772 Cb -0.15 -1.66 -0.04 0.00 1.25 0.00 0.00 34.83 34.22 1vle s MET 772 CO 0.11 -0.04 0.48 1.03 1.05 0.00 0.00 175.02 177.65 1vle s ARG 773 N 0.90 4.30 -0.04 4.11 0.52 0.23 -1.42 118.95 127.55 1vle s ARG 773 Ca -0.09 0.47 0.03 0.00 -0.52 0.00 0.00 55.73 55.61 1vle s ARG 773 Cb -0.15 -3.41 0.01 0.00 0.52 0.00 0.00 34.95 31.92 1vle s ARG 773 CO 0.00 0.23 -0.10 0.08 0.02 0.00 0.00 175.30 175.53 1vle s VAL 774 N 0.38 0.92 0.36 3.52 1.01 -0.41 -1.81 120.40 124.37 1vle s VAL 774 Ca 0.26 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 1vle s VAL 774 Cb -0.16 -0.82 -0.10 0.00 0.00 0.00 0.00 36.38 35.30 1vle s VAL 774 CO 0.11 0.29 1.35 0.21 0.00 0.00 0.00 175.10 177.06 1vle s ASN 775 N 0.31 6.54 0.31 3.32 3.84 -1.26 -0.43 114.94 127.57 1vle s ASN 775 Ca -0.06 2.76 0.08 0.00 0.21 0.00 0.00 52.86 55.85 1vle s ASN 775 Cb -0.11 -2.65 0.86 0.00 -0.55 0.00 0.00 41.25 38.80 1vle s ASN 775 CO 0.01 -0.70 1.69 0.77 -2.79 0.00 0.00 177.10 176.08 1vle h SER 776 N 3.09 0.43 -0.55 -4.21 4.64 -1.71 -1.08 113.55 114.16 1vle h SER 776 Ca -0.50 0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 1vle h SER 776 Cb 1.24 0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.43 1vle h SER 776 CO 0.64 -0.03 0.23 0.40 -0.87 0.00 0.00 176.83 177.20 1vle h ILE 777 N 0.40 1.22 -0.20 0.95 2.04 -1.90 0.23 117.51 120.24 1vle h ILE 777 Ca 0.63 -0.66 -0.18 0.00 1.00 0.00 0.00 64.86 65.65 1vle h ILE 777 Cb 1.27 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1vle h ILE 777 CO -0.55 0.25 -0.59 0.44 0.00 0.00 0.00 178.15 177.71 1vle h ASP 778 N 0.74 0.74 -0.03 1.72 3.32 -1.66 -2.18 116.42 119.07 1vle h ASP 778 Ca 0.18 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 1vle h ASP 778 Cb 0.18 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1vle h ASP 778 CO -0.02 1.16 0.02 0.00 -1.72 0.00 0.00 179.24 178.68 1vle h ALA 779 N 0.85 0.04 -0.98 3.45 0.00 -1.01 -2.57 119.26 119.04 1vle h ALA 779 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1vle h ALA 779 Cb 1.16 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1vle h ALA 779 CO 0.12 -0.40 0.65 1.49 0.00 0.00 0.00 179.25 181.10 1vle h GLU 780 N -0.05 1.28 0.00 0.00 4.22 -0.94 0.20 114.58 119.29 1vle h GLU 780 Ca 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 1vle h GLU 780 Cb 0.10 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1vle h GLU 780 CO -0.00 0.85 -0.02 0.00 -2.18 0.00 0.00 179.01 177.65 1vle h ALA 781 N 1.36 1.71 -0.47 2.92 0.00 -1.12 -1.85 119.26 121.81 1vle h ALA 781 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1vle h ALA 781 Cb -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1vle h ALA 781 CO -0.08 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.74 1vle n ARG 782 N -4.14 2.79 -1.92 0.00 1.74 -0.54 -4.96 116.66 109.63 1vle n ARG 782 Ca -0.03 -2.25 -0.16 0.00 -0.77 0.00 0.00 57.85 54.65 1vle n ARG 782 Cb 0.11 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1vle n ARG 782 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vle n GLY 783 N 0.91 0.57 3.77 -0.13 0.00 -0.50 -4.59 105.19 105.22 1vle n GLY 783 Ca 0.16 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1vle n GLY 783 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vle s ILE 784 N -2.70 5.10 0.20 -0.61 1.01 0.58 -4.96 121.20 119.82 1vle s ILE 784 Ca 0.00 0.92 0.11 0.00 0.00 0.00 0.00 60.65 61.68 1vle s ILE 784 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1vle s ILE 784 CO 0.00 0.43 -0.20 -0.54 0.00 0.00 0.00 174.94 174.64 1vle s LYS 785 N -0.10 1.68 0.01 2.79 1.02 -1.26 -4.21 119.74 119.66 1vle s LYS 785 Ca 0.25 -1.50 -0.37 0.00 0.02 0.00 0.00 55.97 54.37 1vle s LYS 785 Cb -0.16 -1.91 -0.15 0.00 -0.52 0.00 0.00 37.83 35.09 1vle s LYS 785 CO 0.12 0.40 1.53 -1.71 -0.92 0.00 0.00 175.35 174.77 1vle n ASN 786 N 0.07 2.31 0.00 2.83 4.05 -1.26 -1.04 115.26 122.22 1vle n ASN 786 Ca -0.11 1.09 0.00 0.00 0.45 0.00 0.00 54.58 56.01 1vle n ASN 786 Cb 0.56 -1.25 0.00 0.00 1.23 0.00 0.00 39.78 40.32 1vle n ASN 786 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vle n GLY 787 N 3.27 1.75 3.76 8.20 0.00 0.10 -5.00 105.19 117.27 1vle n GLY 787 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1vle n GLY 787 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vle s ASP 788 N -1.75 5.33 -0.21 1.61 1.01 -0.21 -4.58 116.67 117.88 1vle s ASP 788 Ca 0.00 2.21 -0.21 0.00 0.71 0.00 0.00 52.55 55.26 1vle s ASP 788 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 1vle s ASP 788 CO 0.00 -1.48 0.65 -0.76 0.21 0.00 0.00 175.17 173.78 1vle s LEU 789 N -4.19 4.12 0.32 1.23 1.43 -1.26 -0.55 118.68 119.78 1vle s LEU 789 Ca 0.73 0.83 0.10 0.00 -1.03 0.00 0.00 54.13 54.76 1vle s LEU 789 Cb -0.25 -2.91 -0.06 0.00 0.03 0.00 0.00 46.19 43.00 1vle s LEU 789 CO 0.33 -0.31 -0.09 0.27 0.23 0.00 0.00 176.35 176.78 1vle s ILE 790 N 2.09 2.46 -0.27 -0.59 -4.36 0.21 -0.81 121.20 119.92 1vle s ILE 790 Ca 0.29 -2.17 -0.02 0.00 -0.26 0.00 0.00 60.65 58.49 1vle s ILE 790 Cb -0.16 -2.62 0.03 0.00 1.25 0.00 0.00 42.46 40.97 1vle s ILE 790 CO 0.10 -0.25 -0.04 -0.60 0.24 0.00 0.00 174.94 174.39 1vle s ARG 791 N -3.62 2.70 -0.14 0.37 3.52 0.15 -0.06 118.95 121.86 1vle s ARG 791 Ca 0.32 -1.08 -0.15 0.00 -0.13 0.00 0.00 55.73 54.70 1vle s ARG 791 Cb -0.00 -3.06 -0.05 0.00 -1.56 0.00 0.00 34.95 30.28 1vle s ARG 791 CO 0.17 -0.48 0.35 0.00 -0.81 0.00 0.00 175.30 174.54 1vle s ALA 792 N 1.30 3.56 0.19 6.12 0.00 0.35 -2.81 121.76 130.46 1vle s ALA 792 Ca -0.02 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.42 1vle s ALA 792 Cb -0.18 -2.47 0.02 0.00 0.00 0.00 0.00 23.12 20.49 1vle s ALA 792 CO -0.03 0.08 0.47 1.52 0.00 0.00 0.00 175.76 177.79 1vle s TYR 793 N 0.46 -0.00 0.00 0.00 -0.85 -0.49 -0.68 117.35 115.79 1vle s TYR 793 Ca 0.20 -0.35 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 1vle s TYR 793 Cb -0.14 0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.49 1vle s TYR 793 CO 0.06 -0.87 0.00 0.27 -1.52 0.00 0.00 175.55 173.49 1vle n ASN 794 N -0.31 0.00 0.28 -0.18 0.23 -1.00 -1.64 115.26 112.65 1vle n ASN 794 Ca -0.09 -0.53 0.19 0.00 -0.53 0.00 0.00 54.58 53.62 1vle n ASN 794 Cb 0.63 0.00 0.89 0.00 -2.08 0.00 0.00 39.78 39.21 1vle n ASN 794 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1vle h ASP 795 N 0.00 0.00 1.43 0.53 3.32 -1.95 -3.05 116.42 116.70 1vle h ASP 795 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1vle h ASP 795 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1vle h ASP 795 CO 0.00 0.00 -0.59 0.03 -1.72 0.00 0.00 179.24 176.96 1vle h ARG 796 N 0.00 0.00 0.00 3.56 3.08 -1.90 -3.50 114.38 115.62 1vle h ARG 796 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vle h ARG 796 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1vle h ARG 796 CO 0.00 0.27 0.00 0.41 -1.07 0.00 0.00 179.97 179.58 1vle n GLY 797 N 1.21 -1.45 3.15 0.04 0.00 -1.15 -4.77 105.19 102.22 1vle n GLY 797 Ca 0.00 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 1vle n GLY 797 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vle s SER 798 N -3.76 1.50 -0.07 1.61 0.01 -1.26 -2.37 113.70 109.36 1vle s SER 798 Ca 0.00 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 1vle s SER 798 Cb 0.00 -0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.23 1vle s SER 798 CO 0.00 -0.10 0.17 -0.69 0.41 0.00 0.00 173.24 173.03 1vle s VAL 799 N -1.29 -0.04 -0.19 3.43 1.01 0.15 -2.26 120.40 121.22 1vle s VAL 799 Ca -0.04 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 1vle s VAL 799 Cb -0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1vle s VAL 799 CO 0.02 0.06 0.37 -0.63 0.00 0.00 0.00 175.10 174.92 1vle s ILE 800 N 1.01 5.23 0.17 2.22 1.09 0.12 -0.50 121.20 130.55 1vle s ILE 800 Ca -0.08 0.67 0.01 0.00 -1.10 0.00 0.00 60.65 60.15 1vle s ILE 800 Cb -0.10 -3.71 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 1vle s ILE 800 CO -0.05 0.29 0.03 -0.76 -0.10 0.00 0.00 174.94 174.35 1vle s LEU 801 N 1.05 1.96 -0.18 2.97 1.43 0.92 -4.61 118.68 122.22 1vle s LEU 801 Ca 0.19 -1.21 -0.16 0.00 -1.03 0.00 0.00 54.13 51.92 1vle s LEU 801 Cb -0.14 0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.09 1vle s LEU 801 CO 0.07 -0.63 0.40 0.00 0.23 0.00 0.00 176.35 176.42 1vle s ALA 802 N -3.78 3.55 0.06 4.21 0.00 0.89 0.64 121.76 127.32 1vle s ALA 802 Ca 0.26 -0.45 -0.27 0.00 0.00 0.00 0.00 51.96 51.49 1vle s ALA 802 Cb 0.07 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1vle s ALA 802 CO 0.04 -0.20 0.86 0.00 0.00 0.00 0.00 175.76 176.46 1vle s ALA 803 N 1.10 3.30 -0.31 0.00 0.00 0.28 -1.65 121.76 124.48 1vle s ALA 803 Ca 0.20 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.60 1vle s ALA 803 Cb -0.15 -3.14 0.09 0.00 0.00 0.00 0.00 23.12 19.92 1vle s ALA 803 CO 0.08 -0.01 0.00 -1.14 0.00 0.00 0.00 175.76 174.69 1vle s GLN 804 N 0.13 1.61 0.20 0.00 0.74 -0.51 0.02 119.66 121.85 1vle s GLN 804 Ca 0.43 -1.58 -0.30 0.00 0.05 0.00 0.00 55.36 53.96 1vle s GLN 804 Cb -0.21 -2.95 -0.08 0.00 1.10 0.00 0.00 33.01 30.86 1vle s GLN 804 CO 0.26 -0.82 1.17 0.08 -0.55 0.00 0.00 175.29 175.43 1vle s VAL 805 N 1.07 3.59 0.31 1.34 1.01 -1.26 -1.28 120.40 125.18 1vle s VAL 805 Ca 0.04 1.38 -0.09 0.00 0.00 0.00 0.00 61.98 63.30 1vle s VAL 805 Cb -0.19 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1vle s VAL 805 CO -0.09 0.24 0.54 0.28 0.00 0.00 0.00 175.10 176.07 1vle s THR 806 N -0.22 0.00 -0.76 3.92 -1.32 0.42 -4.89 115.64 112.79 1vle s THR 806 Ca 0.51 -1.40 0.08 0.00 -1.21 0.00 0.00 61.69 59.68 1vle s THR 806 Cb -0.32 -2.51 -0.00 0.00 -1.51 0.00 0.00 72.50 68.15 1vle s THR 806 CO 0.37 0.00 0.57 -0.62 -2.21 0.00 0.00 174.62 172.73 1vle n GLU 807 N -0.49 2.21 0.00 7.08 -0.58 -1.26 -1.78 120.64 125.82 1vle n GLU 807 Ca -0.02 -0.54 0.00 0.00 -0.42 0.00 0.00 57.16 56.18 1vle n GLU 807 Cb 0.61 -1.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 1vle n GLU 807 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vle s LEU 809 N 0.00 0.01 0.26 0.00 1.43 -1.26 -1.73 118.68 117.39 1vle s LEU 809 Ca 0.00 1.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.84 1vle s LEU 809 Cb 0.00 1.79 -0.10 0.00 0.03 0.00 0.00 46.19 47.92 1vle s LEU 809 CO 0.00 -0.19 1.29 -1.58 0.23 0.00 0.00 176.35 176.11 1vle s GLN 810 N 0.25 4.40 0.19 1.70 0.74 -1.26 -4.76 119.66 120.92 1vle s GLN 810 Ca -0.00 2.10 -0.32 0.00 0.05 0.00 0.00 55.36 57.19 1vle s GLN 810 Cb -0.04 -3.14 -0.15 0.00 1.10 0.00 0.00 33.01 30.78 1vle s GLN 810 CO 0.01 -0.18 1.13 -2.30 -0.55 0.00 0.00 175.29 173.40 1vle n PRO 811 N 1.74 1.17 0.00 1.67 -0.02 -1.26 -1.18 135.00 137.12 1vle n PRO 811 Ca 0.03 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1vle n PRO 811 Cb 0.42 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1vle n PRO 811 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vle n GLY 812 N 1.92 0.09 3.46 -1.23 0.00 -1.26 -5.06 105.19 103.11 1vle n GLY 812 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1vle n GLY 812 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vle s THR 813 N -2.00 3.07 0.16 2.61 2.01 -0.33 -1.79 115.64 119.37 1vle s THR 813 Ca 0.00 -0.71 0.08 0.00 0.31 0.00 0.00 61.69 61.37 1vle s THR 813 Cb 0.00 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1vle s THR 813 CO 0.00 0.58 -0.18 0.68 -0.69 0.00 0.00 174.62 175.01 1vle s VAL 814 N -0.56 1.79 -0.01 3.82 -7.23 -0.40 -4.23 120.40 113.57 1vle s VAL 814 Ca 0.08 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.36 1vle s VAL 814 Cb -0.11 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 35.02 1vle s VAL 814 CO 0.01 -0.31 -0.02 -2.28 -0.31 0.00 0.00 175.10 172.19 1vle s HIS 815 N -2.02 0.34 -0.23 2.82 5.04 -0.75 -2.56 115.29 117.93 1vle s HIS 815 Ca 0.15 -0.05 -0.09 0.00 -1.54 0.00 0.00 55.06 53.53 1vle s HIS 815 Cb -0.06 -0.30 0.10 0.00 0.04 0.00 0.00 32.58 32.36 1vle s HIS 815 CO 0.06 -0.06 0.51 0.45 -2.34 0.00 0.00 174.74 173.37 1vle s SER 816 N 0.37 -0.63 0.74 9.88 0.15 -1.09 0.75 113.70 123.86 1vle s SER 816 Ca -0.04 1.21 -0.15 0.00 0.70 0.00 0.00 55.95 57.67 1vle s SER 816 Cb -0.07 1.58 0.04 0.00 -1.71 0.00 0.00 66.02 65.86 1vle s SER 816 CO -0.01 -0.22 1.25 -0.31 1.20 0.00 0.00 173.24 175.15 1vle s TYR 817 N 2.46 1.91 0.11 3.44 4.12 -1.26 -4.01 117.35 124.12 1vle s TYR 817 Ca -0.05 1.59 0.01 0.00 0.02 0.00 0.00 57.07 58.64 1vle s TYR 817 Cb -0.11 -3.59 0.02 0.00 -1.52 0.00 0.00 41.96 36.76 1vle s TYR 817 CO -0.15 -2.91 0.15 -0.85 0.02 0.00 0.00 175.55 171.81 1vle n GLU 818 N -2.69 0.75 -1.20 -0.62 -0.00 -0.31 -4.71 120.64 111.87 1vle n GLU 818 Ca 0.15 -0.49 -0.07 0.00 -0.00 0.00 0.00 57.16 56.75 1vle n GLU 818 Cb 0.49 -0.07 -0.03 0.00 -0.00 0.00 0.00 31.44 31.84 1vle n GLU 818 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1vle n SER 819 N -2.93 -3.81 -4.68 -1.84 7.64 -0.52 -4.01 113.62 103.47 1vle n SER 819 Ca 0.03 0.17 -0.44 0.00 1.01 0.00 0.00 58.87 59.63 1vle n SER 819 Cb 0.10 -1.91 -0.02 0.00 -1.01 0.00 0.00 64.21 61.37 1vle n SER 819 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vle n ALA 821 N 1.49 3.32 -2.65 0.00 0.00 -1.26 -4.26 120.51 117.15 1vle n ALA 821 Ca 0.10 -0.37 -0.37 0.00 0.00 0.00 0.00 53.44 52.79 1vle n ALA 821 Cb 0.33 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 1vle n ALA 821 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vle s VAL 822 N -3.18 5.30 -0.31 0.00 1.01 -1.26 -2.95 120.40 119.01 1vle s VAL 822 Ca 0.05 0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1vle s VAL 822 Cb 0.14 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 33.00 1vle s VAL 822 CO 0.78 0.30 0.03 -0.47 0.00 0.00 0.00 175.10 175.74 1vle s TYR 823 N 1.26 3.28 -0.56 5.22 5.04 -1.26 -4.00 117.35 126.34 1vle s TYR 823 Ca 0.11 -1.84 0.05 0.00 -2.44 0.00 0.00 57.07 52.94 1vle s TYR 823 Cb -0.14 -2.20 0.17 0.00 0.35 0.00 0.00 41.96 40.14 1vle s TYR 823 CO 0.06 -0.80 0.42 -3.47 -1.34 0.00 0.00 175.55 170.43 1vle n ASP 824 N 4.65 1.26 -4.74 4.32 2.03 -1.26 -4.78 116.55 118.03 1vle n ASP 824 Ca -0.12 -2.79 -0.42 0.00 0.52 0.00 0.00 54.79 51.97 1vle n ASP 824 Cb 0.43 -0.65 -0.02 0.00 -0.72 0.00 0.00 41.12 40.16 1vle n ASP 824 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1vle n PRO 825 N 2.37 2.72 0.13 -0.67 -0.02 -1.26 -1.82 135.00 136.45 1vle n PRO 825 Ca 0.25 0.97 0.12 0.00 -2.02 0.00 0.00 63.50 62.83 1vle n PRO 825 Cb 0.42 -2.77 0.24 0.00 -0.02 0.00 0.00 33.50 31.37 1vle n PRO 825 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1vle h LEU 826 N 5.18 0.00 0.00 2.45 3.38 -1.32 -3.43 115.31 121.56 1vle h LEU 826 Ca -0.46 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1vle h LEU 826 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1vle h LEU 826 CO 0.82 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.99 1vle n GLY 827 N 1.24 5.53 3.75 0.83 0.00 -1.26 -4.94 105.19 110.34 1vle n GLY 827 Ca 0.04 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1vle n GLY 827 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vle s THR 828 N 1.94 2.36 0.26 2.61 2.01 -1.26 -4.29 115.64 119.27 1vle s THR 828 Ca 0.00 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 1vle s THR 828 Cb 0.00 -3.20 -0.13 0.00 0.01 0.00 0.00 72.50 69.18 1vle s THR 828 CO 0.00 0.06 1.34 0.00 -0.69 0.00 0.00 174.62 175.32 1vle n ALA 829 N 1.95 0.90 -0.70 7.40 0.00 -1.26 -1.73 120.51 127.08 1vle n ALA 829 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1vle n ALA 829 Cb 0.39 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1vle n ALA 829 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vle n GLY 830 N 1.81 0.67 0.00 0.00 0.00 -1.26 -4.73 105.19 101.68 1vle n GLY 830 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1vle n GLY 830 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vle n LYS 831 N -2.00 -0.34 -4.40 1.61 5.02 -0.71 -4.81 118.16 112.54 1vle n LYS 831 Ca 0.00 -0.34 -0.20 0.00 -2.02 0.00 0.00 58.31 55.74 1vle n LYS 831 Cb 0.00 -0.77 -0.10 0.00 -0.02 0.00 0.00 35.03 34.14 1vle n LYS 831 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1vle s SER 832 N -0.05 1.92 0.51 4.39 1.04 -1.03 -1.85 113.70 118.64 1vle s SER 832 Ca 0.00 -1.49 -0.23 0.00 0.48 0.00 0.00 55.95 54.71 1vle s SER 832 Cb 0.00 0.24 -0.06 0.00 0.10 0.00 0.00 66.02 66.30 1vle s SER 832 CO 0.00 -0.79 1.32 0.00 0.98 0.00 0.00 173.24 174.75 1vle s ALA 833 N -3.48 2.92 -0.05 5.32 0.00 -0.25 -4.70 121.76 121.52 1vle s ALA 833 Ca 0.34 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1vle s ALA 833 Cb 0.06 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1vle s ALA 833 CO 0.15 -1.17 -0.03 0.34 0.00 0.00 0.00 175.76 175.06 1vle s ASP 834 N -0.98 4.98 0.00 0.00 2.15 -0.96 -0.91 116.67 120.94 1vle s ASP 834 Ca 0.68 0.03 0.04 0.00 0.43 0.00 0.00 52.55 53.73 1vle s ASP 834 Cb -0.38 -1.31 0.07 0.00 -0.30 0.00 0.00 42.92 41.00 1vle s ASP 834 CO 0.46 0.34 0.81 -2.11 -0.17 0.00 0.00 175.17 174.50 1vle n ARG 835 N 1.91 0.82 -0.03 4.34 1.85 -0.75 -0.70 116.66 124.09 1vle n ARG 835 Ca -0.17 -1.11 -0.12 0.00 -1.00 0.00 0.00 57.85 55.44 1vle n ARG 835 Cb 0.53 -1.09 0.00 0.00 -1.05 0.00 0.00 32.46 30.85 1vle n ARG 835 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1vle h GLY 836 N 0.87 0.78 0.00 2.89 0.00 -1.75 -3.43 103.07 102.42 1vle h GLY 836 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.40 1vle h GLY 836 CO 0.00 0.83 0.00 0.61 0.00 0.00 0.00 176.54 177.98 1vle n GLY 837 N 0.35 1.99 3.57 4.60 0.00 -1.26 -4.43 105.19 110.02 1vle n GLY 837 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1vle n GLY 837 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vle h ILE 839 N 6.07 0.85 0.00 0.00 1.08 -1.88 -2.24 117.51 121.40 1vle h ILE 839 Ca 0.33 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.75 1vle h ILE 839 Cb 0.92 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 1vle h ILE 839 CO 1.39 0.01 0.00 0.59 -0.69 0.00 0.00 178.15 179.46 1vle n ASN 840 N -4.29 0.00 0.17 1.72 3.02 -1.26 -0.66 115.26 113.95 1vle n ASN 840 Ca -0.03 -0.45 0.04 0.00 -0.03 0.00 0.00 54.58 54.11 1vle n ASN 840 Cb 0.10 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.50 1vle n ASN 840 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1vle h ILE 841 N 0.00 0.89 0.00 2.41 2.04 -1.62 -0.98 117.51 120.25 1vle h ILE 841 Ca 0.00 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.06 1vle h ILE 841 Cb 0.00 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1vle h ILE 841 CO 0.00 0.42 -0.84 0.18 0.00 0.00 0.00 178.15 177.91 1vle n LEU 842 N -3.42 0.78 -4.81 1.44 4.77 0.16 -4.11 117.00 111.82 1vle n LEU 842 Ca 0.00 -0.28 -0.34 0.00 -0.03 0.00 0.00 56.01 55.36 1vle n LEU 842 Cb 0.59 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1vle n LEU 842 CO 0.38 0.19 0.64 0.42 -1.33 0.00 0.00 177.39 177.69 1vle s THR 843 N -3.02 4.34 0.20 -5.08 -4.23 -1.23 -4.81 115.64 101.81 1vle s THR 843 Ca 0.08 1.58 -0.31 0.00 -1.18 0.00 0.00 61.69 61.87 1vle s THR 843 Cb 0.16 -3.72 -0.10 0.00 1.34 0.00 0.00 72.50 70.18 1vle s THR 843 CO 0.81 -0.18 1.46 -2.16 -0.54 0.00 0.00 174.62 174.01 1vle s PRO 844 N -2.83 4.27 0.00 3.99 0.04 -1.26 -0.67 135.00 138.54 1vle s PRO 844 Ca 0.58 2.26 0.26 0.00 0.04 0.00 0.00 61.00 64.14 1vle s PRO 844 Cb -0.12 -3.15 0.64 0.00 0.04 0.00 0.00 34.50 31.91 1vle s PRO 844 CO 0.16 -0.46 1.50 -0.40 0.04 0.00 0.00 177.00 177.84 1vle n ASP 845 N 3.12 1.49 -4.75 6.66 3.85 -1.26 -4.50 116.55 121.17 1vle n ASP 845 Ca 0.10 -1.25 -0.41 0.00 -0.71 0.00 0.00 54.79 52.52 1vle n ASP 845 Cb 0.40 0.15 -0.03 0.00 -1.35 0.00 0.00 41.12 40.30 1vle n ASP 845 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1vle s ARG 846 N -2.33 4.33 0.72 0.11 3.52 -1.26 -4.97 118.95 119.07 1vle s ARG 846 Ca 0.27 2.19 -0.15 0.00 -0.13 0.00 0.00 55.73 57.91 1vle s ARG 846 Cb 0.20 -3.14 0.03 0.00 -1.56 0.00 0.00 34.95 30.48 1vle s ARG 846 CO 0.47 -0.32 1.21 0.71 -0.81 0.00 0.00 175.30 176.56 1vle s TYR 847 N -0.13 2.07 0.20 5.12 4.12 -1.26 -4.43 117.35 123.03 1vle s TYR 847 Ca 0.57 1.59 -0.16 0.00 0.02 0.00 0.00 57.07 59.08 1vle s TYR 847 Cb -0.39 -3.49 0.19 0.00 -1.52 0.00 0.00 41.96 36.74 1vle s TYR 847 CO 0.43 -2.62 1.62 0.82 0.02 0.00 0.00 175.55 175.82 1vle h ILE 848 N -0.17 0.34 -4.65 2.71 2.04 -1.15 -3.44 117.51 113.19 1vle h ILE 848 Ca -0.48 0.00 -0.47 0.00 1.00 0.00 0.00 64.86 64.91 1vle h ILE 848 Cb 1.30 0.34 -0.11 0.00 -0.74 0.00 0.00 36.82 37.61 1vle h ILE 848 CO 0.50 0.00 -0.42 -1.54 0.00 0.00 0.00 178.15 176.69 1vle n SER 849 N -5.42 0.18 -0.27 1.72 3.41 -1.03 -4.97 113.62 107.24 1vle n SER 849 Ca 0.06 -2.98 -0.00 0.00 -0.26 0.00 0.00 58.87 55.68 1vle n SER 849 Cb 0.33 1.26 0.20 0.00 -0.26 0.00 0.00 64.21 65.74 1vle n SER 849 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1vle h LYS 850 N 0.00 1.10 -0.00 4.33 3.64 -1.92 -3.18 116.57 120.54 1vle h LYS 850 Ca -0.25 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1vle h LYS 850 Cb 1.09 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1vle h LYS 850 CO 0.38 0.73 -0.31 0.66 -2.27 0.00 0.00 179.45 178.63 1vle n TYR 851 N -4.41 0.00 -2.86 1.91 4.01 -1.26 -4.79 117.16 109.76 1vle n TYR 851 Ca 0.09 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.40 1vle n TYR 851 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.04 1vle n TYR 851 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vle s ALA 852 N -1.60 3.41 -1.40 -0.72 0.00 -1.20 -4.61 121.76 115.63 1vle s ALA 852 Ca 0.03 -2.84 -0.09 0.00 0.00 0.00 0.00 51.96 49.06 1vle s ALA 852 Cb 0.06 -4.17 -0.11 0.00 0.00 0.00 0.00 23.12 18.90 1vle s ALA 852 CO 0.28 -3.04 3.03 0.00 0.00 0.00 0.00 175.76 176.03 1vle s GLY 854 N 2.17 2.49 0.17 0.00 0.00 -1.26 -4.90 107.32 106.00 1vle s GLY 854 Ca 0.69 -2.21 -0.23 0.00 0.00 0.00 0.00 44.72 42.97 1vle s GLY 854 CO -0.05 -2.08 0.75 -3.16 0.00 0.00 0.00 173.10 168.56 1vle s MET 855 N -3.73 4.45 -0.29 2.90 0.23 -1.26 -2.10 119.30 119.49 1vle s MET 855 Ca 0.34 1.05 0.08 0.00 -1.03 0.00 0.00 55.69 56.13 1vle s MET 855 Cb 0.10 -3.15 0.46 0.00 -1.53 0.00 0.00 34.83 30.71 1vle s MET 855 CO 0.17 0.53 1.35 0.00 -2.03 0.00 0.00 175.02 175.04 1vle n ALA 856 N 1.36 4.44 -0.26 3.16 0.00 -1.26 -3.73 120.51 124.21 1vle n ALA 856 Ca -0.05 -3.39 -0.00 0.00 0.00 0.00 0.00 53.44 50.00 1vle n ALA 856 Cb 0.50 -0.57 0.07 0.00 0.00 0.00 0.00 19.45 19.44 1vle n ALA 856 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1vle h ASN 857 N 1.37 -0.85 0.00 0.00 4.21 -1.76 -3.10 115.58 115.44 1vle h ASN 857 Ca 0.22 0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.96 1vle h ASN 857 Cb 1.37 0.51 0.00 0.00 -1.12 0.00 0.00 38.32 39.08 1vle h ASN 857 CO 0.44 -0.27 0.00 0.59 -1.29 0.00 0.00 177.43 176.90 1vle n ASN 858 N -5.48 0.14 -3.75 5.81 3.02 -0.53 -3.92 115.26 110.55 1vle n ASN 858 Ca 0.09 -0.79 -0.30 0.00 -0.03 0.00 0.00 54.58 53.55 1vle n ASN 858 Cb 0.38 -0.07 -0.14 0.00 -0.61 0.00 0.00 39.78 39.34 1vle n ASN 858 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1vle s THR 859 N -1.65 1.11 -0.03 3.41 -4.23 -1.17 -4.37 115.64 108.71 1vle s THR 859 Ca 0.00 -1.75 -0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1vle s THR 859 Cb 0.00 -1.82 0.03 0.00 1.34 0.00 0.00 72.50 72.05 1vle s THR 859 CO 0.00 -0.73 0.02 0.00 -0.54 0.00 0.00 174.62 173.38 1vle s ALA 860 N 1.25 0.20 -0.05 3.99 0.00 -0.98 -4.62 121.76 121.55 1vle s ALA 860 Ca 0.12 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.14 1vle s ALA 860 Cb -0.19 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1vle s ALA 860 CO -0.17 -0.16 0.47 -0.51 0.00 0.00 0.00 175.76 175.39 1vle s LEU 861 N 1.23 4.38 0.26 0.00 1.43 -1.26 0.34 118.68 125.05 1vle s LEU 861 Ca -0.07 0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 53.93 1vle s LEU 861 Cb -0.13 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 1vle s LEU 861 CO -0.03 0.15 0.31 0.68 0.23 0.00 0.00 176.35 177.69 1vle s VAL 862 N -0.19 0.00 0.06 -1.59 -7.23 0.30 -4.79 120.40 106.95 1vle s VAL 862 Ca 0.26 -1.77 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1vle s VAL 862 Cb -0.16 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1vle s VAL 862 CO 0.13 0.00 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.11 1vle s GLU 863 N -3.82 0.68 0.09 4.82 2.56 -0.65 -1.40 118.70 120.99 1vle s GLU 863 Ca 0.33 -0.87 0.02 0.00 0.00 0.00 0.00 54.97 54.45 1vle s GLU 863 Cb 0.03 -0.56 -0.04 0.00 2.00 0.00 0.00 34.13 35.56 1vle s GLU 863 CO 0.15 0.12 -0.08 0.96 -0.56 0.00 0.00 175.26 175.85 1vle s ILE 864 N -1.38 0.76 0.07 -3.70 -4.36 -1.26 -1.39 121.20 109.94 1vle s ILE 864 Ca -0.05 -1.75 -0.26 0.00 -0.26 0.00 0.00 60.65 58.33 1vle s ILE 864 Cb -0.10 -1.46 0.08 0.00 1.25 0.00 0.00 42.46 42.23 1vle s ILE 864 CO 0.01 -0.72 0.72 -1.83 0.24 0.00 0.00 174.94 173.36 1vle s GLU 865 N -3.26 1.08 0.43 0.37 -1.05 -1.12 -4.98 118.70 110.16 1vle s GLU 865 Ca 0.07 -0.33 -0.26 0.00 -0.15 0.00 0.00 54.97 54.31 1vle s GLU 865 Cb 0.01 0.50 -0.09 0.00 -0.44 0.00 0.00 34.13 34.10 1vle s GLU 865 CO -0.02 -0.46 1.42 1.63 0.95 0.00 0.00 175.26 178.78 1vle n LYS 866 N -0.18 2.31 -2.60 -4.83 5.02 -1.26 -0.68 118.16 115.93 1vle n LYS 866 Ca -0.14 0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 56.55 1vle n LYS 866 Cb 0.63 -2.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.01 1vle n LYS 866 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1vle s TRP 867 N -1.17 3.63 -2.37 2.13 -0.00 0.01 -4.63 118.94 116.54 1vle s TRP 867 Ca 0.59 1.61 0.23 0.00 -0.00 0.00 0.00 56.10 58.53 1vle s TRP 867 Cb -0.47 -3.21 0.84 0.00 -0.00 0.00 0.00 33.47 30.63 1vle s TRP 867 CO 0.59 -0.38 1.61 -0.40 -0.00 0.00 0.00 176.95 178.37 1vle n ASP 868 N 3.32 1.68 0.00 5.86 5.68 -1.26 -4.93 116.55 126.90 1vle n ASP 868 Ca 0.05 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1vle n ASP 868 Cb 0.48 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1vle n ASP 868 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vle n GLY 869 N 1.16 1.20 3.78 6.12 0.00 -1.26 -5.06 105.19 111.13 1vle n GLY 869 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1vle n GLY 869 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vle s ASP 870 N -2.92 4.66 0.01 1.61 -1.08 -1.26 -4.97 116.67 112.72 1vle s ASP 870 Ca 0.00 1.74 0.24 0.00 -0.52 0.00 0.00 52.55 54.01 1vle s ASP 870 Cb 0.00 -2.48 0.30 0.00 -1.46 0.00 0.00 42.92 39.28 1vle s ASP 870 CO 0.00 -1.92 1.26 2.29 0.52 0.00 0.00 175.17 177.32 1vle n LYS 871 N -3.45 0.05 -3.86 4.34 2.85 -1.26 -4.97 118.16 111.87 1vle n LYS 871 Ca 0.08 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.97 1vle n LYS 871 Cb 0.53 -1.52 0.03 0.00 -0.65 0.00 0.00 35.03 33.42 1vle n LYS 871 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1vle n TYR 872 N -1.59 -1.68 -2.84 5.58 4.02 -1.26 -1.09 117.16 118.30 1vle n TYR 872 Ca 0.05 0.28 -0.44 0.00 -0.01 0.00 0.00 57.90 57.79 1vle n TYR 872 Cb 0.35 -3.12 -0.00 0.00 -0.02 0.00 0.00 39.34 36.55 1vle n TYR 872 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1vle s GLU 873 N -6.60 4.03 -0.01 -0.72 2.12 -1.26 -3.39 118.70 112.86 1vle s GLU 873 Ca 0.47 -2.36 0.02 0.00 0.36 0.00 0.00 54.97 53.46 1vle s GLU 873 Cb -0.21 -5.19 0.03 0.00 0.26 0.00 0.00 34.13 29.02 1vle s GLU 873 CO 0.91 -1.91 0.92 0.44 -0.54 0.00 0.00 175.26 175.09 1vle n ILE 874 N 5.17 0.20 0.38 -3.70 -5.35 -0.89 -4.95 119.36 110.22 1vle n ILE 874 Ca 0.39 -0.23 0.05 0.00 -0.27 0.00 0.00 62.75 62.69 1vle n ILE 874 Cb 0.44 0.53 0.04 0.00 -1.74 0.00 0.00 39.64 38.91 1vle n ILE 874 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57