#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vle s GLY 2 N 0.00 2.51 0.55 3.03 0.00 -1.26 -5.11 107.32 107.03 1vle s GLY 2 Ca 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 44.72 43.63 1vle s GLY 2 CO 0.00 -2.00 0.82 -0.54 0.00 0.00 0.00 173.10 171.38 1vle s GLU 3 N -4.20 2.91 0.34 2.90 0.41 -1.26 -4.74 118.70 115.06 1vle s GLU 3 Ca 0.28 -0.24 -0.25 0.00 -0.41 0.00 0.00 54.97 54.35 1vle s GLU 3 Cb -0.01 -2.38 -0.10 0.00 -1.78 0.00 0.00 34.13 29.86 1vle s GLU 3 CO 0.17 -0.58 0.97 0.08 -0.49 0.00 0.00 175.26 175.41 1vle s VAL 4 N -2.84 4.10 -0.06 2.63 1.01 -1.26 -4.58 120.40 119.41 1vle s VAL 4 Ca 0.53 1.69 0.02 0.00 0.00 0.00 0.00 61.98 64.22 1vle s VAL 4 Cb -0.10 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1vle s VAL 4 CO 0.42 0.09 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 1vle s VAL 5 N -1.65 1.00 -0.34 2.92 1.01 0.18 -4.96 120.40 118.56 1vle s VAL 5 Ca 0.52 -0.41 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 1vle s VAL 5 Cb -0.19 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1vle s VAL 5 CO 0.24 0.32 0.75 -0.60 0.00 0.00 0.00 175.10 175.82 1vle s ARG 6 N 0.63 3.80 0.49 2.72 3.52 -1.26 -1.46 118.95 127.38 1vle s ARG 6 Ca -0.12 0.34 0.06 0.00 -0.13 0.00 0.00 55.73 55.87 1vle s ARG 6 Cb -0.15 -3.78 -0.00 0.00 -1.56 0.00 0.00 34.95 29.46 1vle s ARG 6 CO 0.03 -0.77 0.28 -0.51 -0.81 0.00 0.00 175.30 173.51 1vle s LEU 7 N 2.98 2.85 0.15 -0.88 1.43 0.10 -4.92 118.68 120.39 1vle s LEU 7 Ca 0.30 -1.20 0.11 0.00 -1.03 0.00 0.00 54.13 52.31 1vle s LEU 7 Cb -0.14 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 1vle s LEU 7 CO 0.15 -0.85 -0.25 0.42 0.23 0.00 0.00 176.35 176.05 1vle s THR 8 N -2.70 2.19 0.12 5.49 -4.23 -1.26 -0.14 115.64 115.11 1vle s THR 8 Ca 0.34 -1.82 -0.21 0.00 -1.18 0.00 0.00 61.69 58.83 1vle s THR 8 Cb 0.00 -1.97 0.07 0.00 1.34 0.00 0.00 72.50 71.95 1vle s THR 8 CO 0.20 -0.01 0.97 -3.20 -0.54 0.00 0.00 174.62 172.04 1vle n ASN 9 N 0.72 -1.45 -1.01 3.99 2.85 -1.08 -1.28 115.26 117.99 1vle n ASN 9 Ca -0.16 -1.69 -0.00 0.00 -0.11 0.00 0.00 54.58 52.62 1vle n ASN 9 Cb 0.54 2.34 -0.00 0.00 1.24 0.00 0.00 39.78 43.90 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 -1.17 -0.01 -3.30 1.20 2.88 -1.26 -1.15 113.62 110.80 1vle n SER 10 Ca -0.01 -1.01 -0.01 0.00 -1.33 0.00 0.00 58.87 56.52 1vle n SER 10 Cb 0.52 0.02 0.02 0.00 -0.75 0.00 0.00 64.21 64.01 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 -2.09 -1.42 0.00 -3.46 3.41 -0.95 -4.78 113.62 104.33 1vle n SER 11 Ca 0.00 -1.61 0.10 0.00 -0.26 0.00 0.00 58.87 57.10 1vle n SER 11 Cb 0.00 2.27 0.53 0.00 -0.26 0.00 0.00 64.21 66.76 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 -0.74 0.31 -0.22 6.66 -2.24 -1.26 -1.74 114.28 115.05 1vle n THR 12 Ca 0.00 0.08 0.06 0.00 -2.27 0.00 0.00 64.05 61.92 1vle n THR 12 Cb 0.54 -0.74 0.15 0.00 -2.10 0.00 0.00 70.33 68.18 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 0.41 2.87 0.00 3.38 0.00 -1.26 -3.79 105.19 106.80 1vle n GLY 13 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.40 2.28 3.77 -0.02 0.00 -0.71 -1.94 105.19 108.97 1vle n GLY 14 Ca 0.12 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.52 3.26 0.10 1.61 0.02 -1.26 -2.24 135.00 133.97 1vle s PRO 15 Ca 0.00 1.61 -0.04 0.00 0.02 0.00 0.00 61.00 62.59 1vle s PRO 15 Cb 0.00 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 1vle s PRO 15 CO 0.00 -0.93 0.10 0.14 -0.33 0.00 0.00 177.00 175.98 1vle s VAL 16 N -1.82 0.15 -0.21 3.83 -7.23 -0.30 -4.44 120.40 110.37 1vle s VAL 16 Ca 0.73 -1.60 -0.08 0.00 -1.81 0.00 0.00 61.98 59.22 1vle s VAL 16 Cb -0.24 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 1vle s VAL 16 CO 0.29 -0.68 0.08 -0.36 -0.31 0.00 0.00 175.10 174.13 1vle s PHE 17 N -3.94 3.21 -0.27 2.82 2.99 -0.17 -2.65 117.98 119.97 1vle s PHE 17 Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 56.93 56.96 1vle s PHE 17 Cb 0.06 -2.17 0.01 0.00 0.00 0.00 0.00 43.02 40.92 1vle s PHE 17 CO -0.06 -0.02 0.03 0.08 -0.00 0.00 0.00 175.22 175.24 1vle s VAL 18 N 0.90 3.65 -0.31 -0.44 1.01 0.81 -1.79 120.40 124.22 1vle s VAL 18 Ca 0.04 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1vle s VAL 18 Cb -0.14 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1vle s VAL 18 CO 0.03 0.20 0.60 -0.31 0.00 0.00 0.00 175.10 175.62 1vle s TYR 19 N 1.47 3.21 0.04 5.22 1.51 -0.57 0.02 117.35 128.24 1vle s TYR 19 Ca 0.03 0.51 0.09 0.00 -1.01 0.00 0.00 57.07 56.69 1vle s TYR 19 Cb -0.16 -2.97 -0.03 0.00 -0.11 0.00 0.00 41.96 38.69 1vle s TYR 19 CO -0.00 -0.48 -0.26 0.08 -1.11 0.00 0.00 175.55 173.78 1vle s VAL 20 N 2.56 2.16 -0.07 0.71 1.01 -0.54 0.33 120.40 126.57 1vle s VAL 20 Ca 0.24 -1.37 -0.05 0.00 0.00 0.00 0.00 61.98 60.80 1vle s VAL 20 Cb -0.15 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1vle s VAL 20 CO 0.12 0.38 0.17 -0.75 0.00 0.00 0.00 175.10 175.02 1vle s LYS 21 N -1.21 0.17 -1.50 2.72 2.20 -0.04 -0.64 119.74 121.42 1vle s LYS 21 Ca 0.12 0.32 -0.03 0.00 -0.36 0.00 0.00 55.97 56.02 1vle s LYS 21 Cb -0.10 -0.02 0.03 0.00 -1.51 0.00 0.00 37.83 36.22 1vle s LYS 21 CO 0.02 -0.09 0.33 -0.25 -0.36 0.00 0.00 175.35 175.01 1vle n ASP 22 N 3.55 -0.29 -1.51 1.43 8.00 -1.26 -0.69 116.55 125.77 1vle n ASP 22 Ca -0.19 -1.10 -0.16 0.00 0.71 0.00 0.00 54.79 54.05 1vle n ASP 22 Cb 0.56 -2.52 -0.04 0.00 -0.02 0.00 0.00 41.12 39.09 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 -2.08 0.83 2.99 0.44 0.00 -1.26 -5.00 105.19 101.11 1vle n GLY 23 Ca -0.26 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.99 0.52 0.05 1.61 2.20 0.13 -4.71 119.74 115.56 1vle s LYS 24 Ca 0.00 -0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.00 1vle s LYS 24 Cb 0.00 -0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 35.79 1vle s LYS 24 CO 0.00 0.13 1.04 0.42 -0.36 0.00 0.00 175.35 176.58 1vle s ILE 25 N -0.32 4.53 -0.24 5.43 1.01 -1.26 -0.86 121.20 129.48 1vle s ILE 25 Ca 0.01 1.88 0.01 0.00 0.00 0.00 0.00 60.65 62.55 1vle s ILE 25 Cb -0.04 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 38.08 1vle s ILE 25 CO -0.00 0.18 -0.22 -0.38 0.00 0.00 0.00 174.94 174.52 1vle n ILE 26 N 3.63 1.38 -3.48 2.92 5.41 0.15 -4.95 119.36 124.42 1vle n ILE 26 Ca 0.06 -0.52 -0.10 0.00 1.00 0.00 0.00 62.75 63.19 1vle n ILE 26 Cb 0.49 -1.38 -0.02 0.00 -0.71 0.00 0.00 39.64 38.02 1vle n ILE 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vle s ARG 27 N -2.48 0.96 -0.05 0.38 1.70 -1.19 -5.01 118.95 113.26 1vle s ARG 27 Ca -0.33 -0.33 0.03 0.00 -0.47 0.00 0.00 55.73 54.63 1vle s ARG 27 Cb 0.09 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 1vle s ARG 27 CO 0.55 -0.42 -0.13 -1.64 -1.08 0.00 0.00 175.30 172.58 1vle s MET 28 N -3.23 1.56 0.15 3.89 -1.94 -1.26 -1.52 119.30 116.95 1vle s MET 28 Ca 0.03 -0.46 -0.01 0.00 -1.71 0.00 0.00 55.69 53.54 1vle s MET 28 Cb -0.01 -1.34 -0.04 0.00 2.01 0.00 0.00 34.83 35.45 1vle s MET 28 CO -0.10 0.13 0.08 0.95 -0.01 0.00 0.00 175.02 176.07 1vle s THR 29 N 0.32 0.08 1.08 2.05 -4.23 -0.74 -4.94 115.64 109.25 1vle s THR 29 Ca -0.08 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 1vle s THR 29 Cb -0.12 -2.15 0.23 0.00 1.34 0.00 0.00 72.50 71.80 1vle s THR 29 CO 0.02 -0.35 1.09 -2.84 -0.54 0.00 0.00 174.62 172.01 1vle s PRO 30 N -4.07 -0.20 -0.17 3.99 0.02 -1.26 -1.00 135.00 132.31 1vle s PRO 30 Ca 0.27 0.36 -0.05 0.00 0.02 0.00 0.00 61.00 61.60 1vle s PRO 30 Cb 0.07 -1.68 -0.03 0.00 0.02 0.00 0.00 34.50 32.88 1vle s PRO 30 CO 0.04 -3.12 -0.01 -1.64 -0.33 0.00 0.00 177.00 171.94 1vle s MET 31 N -5.05 3.74 -0.03 5.54 -1.94 -1.26 -4.45 119.30 115.85 1vle s MET 31 Ca 0.67 -0.48 -0.15 0.00 -1.71 0.00 0.00 55.69 54.02 1vle s MET 31 Cb -0.17 -3.00 -0.05 0.00 2.01 0.00 0.00 34.83 33.62 1vle s MET 31 CO 0.58 0.23 0.41 -0.51 -0.01 0.00 0.00 175.02 175.72 1vle s ASP 32 N 0.42 6.76 0.31 3.03 1.01 -1.26 -1.22 116.67 125.72 1vle s ASP 32 Ca -0.02 0.91 -0.19 0.00 0.71 0.00 0.00 52.55 53.96 1vle s ASP 32 Cb -0.14 -2.25 -0.09 0.00 1.01 0.00 0.00 42.92 41.45 1vle s ASP 32 CO 0.02 0.26 0.79 -0.36 0.21 0.00 0.00 175.17 176.09 1vle s PHE 33 N -0.71 3.49 -0.51 4.23 2.99 -0.89 -5.00 117.98 121.58 1vle s PHE 33 Ca 0.24 1.40 -0.14 0.00 0.00 0.00 0.00 56.93 58.43 1vle s PHE 33 Cb -0.16 -2.66 0.12 0.00 0.00 0.00 0.00 43.02 40.32 1vle s PHE 33 CO 0.12 0.15 0.45 0.34 -0.00 0.00 0.00 175.22 176.28 1vle s ASP 34 N -1.98 6.05 0.47 1.36 -1.08 -1.26 -4.94 116.67 115.30 1vle s ASP 34 Ca 0.51 -1.77 0.23 0.00 -0.52 0.00 0.00 52.55 51.00 1vle s ASP 34 Cb -0.13 -2.15 1.24 0.00 -1.46 0.00 0.00 42.92 40.42 1vle s ASP 34 CO 0.19 -0.79 1.66 0.44 0.52 0.00 0.00 175.17 177.18 1vle h ASP 35 N 8.76 0.00 1.71 -0.34 3.32 -1.96 0.44 116.42 128.35 1vle h ASP 35 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1vle h ASP 35 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1vle h ASP 35 CO 0.97 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.49 1vle h ALA 36 N 1.45 1.00 0.00 3.45 0.00 -2.01 -3.37 119.26 119.78 1vle h ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vle h ALA 36 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1vle h ALA 36 CO 0.00 0.00 -0.28 1.33 0.00 0.00 0.00 179.25 180.30 1vle n VAL 37 N -2.86 0.00 -3.74 0.00 0.24 0.39 -5.05 118.33 107.30 1vle n VAL 37 Ca 0.04 -0.07 -0.36 0.00 -2.04 0.00 0.00 64.34 61.91 1vle n VAL 37 Cb 0.47 0.48 -0.10 0.00 -1.47 0.00 0.00 33.84 33.22 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 -0.70 5.92 0.49 -1.34 1.01 0.13 -4.96 116.67 117.21 1vle s ASP 38 Ca 0.00 0.08 -0.20 0.00 0.71 0.00 0.00 52.55 53.14 1vle s ASP 38 Cb 0.00 -2.06 -0.12 0.00 1.01 0.00 0.00 42.92 41.75 1vle s ASP 38 CO 0.00 0.08 0.35 0.00 0.21 0.00 0.00 175.17 175.82 1vle n ALA 39 N 4.17 -1.85 -1.26 5.23 0.00 -1.26 -4.59 120.51 120.95 1vle n ALA 39 Ca -0.15 0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 1vle n ALA 39 Cb 0.52 -1.69 0.09 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.57 2.20 0.75 0.00 0.02 -1.26 -4.97 135.00 130.17 1vle s PRO 40 Ca 0.63 1.39 -0.08 0.00 0.02 0.00 0.00 61.00 62.96 1vle s PRO 40 Cb -0.53 -1.88 0.08 0.00 0.02 0.00 0.00 34.50 32.19 1vle s PRO 40 CO 0.59 -1.71 1.07 -1.12 -0.33 0.00 0.00 177.00 175.50 1vle s SER 41 N -2.81 4.62 0.64 2.53 0.01 -1.26 -4.23 113.70 113.19 1vle s SER 41 Ca 0.66 0.49 -0.11 0.00 1.31 0.00 0.00 55.95 58.30 1vle s SER 41 Cb -0.21 -1.06 -0.02 0.00 0.21 0.00 0.00 66.02 64.94 1vle s SER 41 CO 0.50 -1.75 1.04 -1.66 0.41 0.00 0.00 173.24 171.77 1vle s TRP 42 N -3.36 3.53 0.04 2.43 1.48 -1.26 -4.93 118.94 116.87 1vle s TRP 42 Ca 0.62 1.19 0.04 0.00 -1.06 0.00 0.00 56.10 56.88 1vle s TRP 42 Cb -0.10 -2.80 -0.02 0.00 -1.16 0.00 0.00 33.47 29.39 1vle s TRP 42 CO 0.46 -0.81 -0.11 0.15 -4.06 0.00 0.00 176.95 172.58 1vle s LYS 43 N -5.21 0.74 -0.09 3.25 1.02 -1.26 -4.37 119.74 113.83 1vle s LYS 43 Ca 0.56 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.86 1vle s LYS 43 Cb -0.11 -0.68 0.02 0.00 -0.52 0.00 0.00 37.83 36.54 1vle s LYS 43 CO 0.53 0.16 -0.08 0.42 -0.92 0.00 0.00 175.35 175.46 1vle s ILE 44 N -0.92 0.94 -0.28 2.17 1.01 0.50 -4.96 121.20 119.66 1vle s ILE 44 Ca -0.02 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 1vle s ILE 44 Cb -0.08 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 1vle s ILE 44 CO 0.01 0.34 0.30 -1.61 0.00 0.00 0.00 174.94 173.97 1vle s GLU 45 N 1.34 3.95 -0.16 2.79 8.01 -1.26 0.13 118.70 133.51 1vle s GLU 45 Ca -0.03 -0.14 -0.10 0.00 0.01 0.00 0.00 54.97 54.71 1vle s GLU 45 Cb -0.14 -3.67 0.05 0.00 -4.31 0.00 0.00 34.13 26.07 1vle s GLU 45 CO -0.04 -0.26 0.38 0.00 0.01 0.00 0.00 175.26 175.36 1vle s ALA 46 N 1.94 -0.97 -1.19 5.21 0.00 -0.30 -4.94 121.76 121.51 1vle s ALA 46 Ca 0.11 1.35 -0.20 0.00 0.00 0.00 0.00 51.96 53.23 1vle s ALA 46 Cb -0.16 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1vle s ALA 46 CO 0.10 -0.24 0.71 0.54 0.00 0.00 0.00 175.76 176.88 1vle n ARG 47 N 3.90 -1.35 -1.43 0.00 1.74 -1.26 -1.36 116.66 116.90 1vle n ARG 47 Ca -0.21 0.38 -0.15 0.00 -0.77 0.00 0.00 57.85 57.10 1vle n ARG 47 Cb 0.55 -3.89 -0.06 0.00 -1.02 0.00 0.00 32.46 28.04 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 -1.81 1.42 3.38 -0.13 0.00 -1.26 -4.96 105.19 101.84 1vle n GLY 48 Ca -0.13 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.26 1.47 -0.12 1.61 1.02 -0.47 -5.14 119.74 114.85 1vle s LYS 49 Ca 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.22 1vle s LYS 49 Cb 0.00 -0.77 0.02 0.00 -0.52 0.00 0.00 37.83 36.56 1vle s LYS 49 CO 0.00 -0.11 -0.12 0.99 -0.92 0.00 0.00 175.35 175.19 1vle s THR 50 N -3.32 1.32 -0.14 2.17 2.01 -1.26 -1.14 115.64 115.27 1vle s THR 50 Ca 0.31 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.80 1vle s THR 50 Cb 0.06 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 1vle s THR 50 CO 0.12 0.41 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.02 1vle s PHE 51 N 1.41 2.93 -0.06 4.92 0.40 0.12 -4.94 117.98 122.76 1vle s PHE 51 Ca 0.01 -0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 55.85 1vle s PHE 51 Cb -0.13 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.52 1vle s PHE 51 CO -0.07 -0.10 0.17 -0.08 0.70 0.00 0.00 175.22 175.84 1vle s THR 52 N 0.32 -0.01 0.80 0.64 -1.32 -1.26 -0.37 115.64 114.45 1vle s THR 52 Ca -0.07 0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 1vle s THR 52 Cb -0.15 -0.24 0.07 0.00 -1.51 0.00 0.00 72.50 70.67 1vle s THR 52 CO 0.04 0.01 1.09 -2.16 -2.21 0.00 0.00 174.62 171.39 1vle s PRO 53 N 0.26 2.02 0.48 7.08 0.04 -1.26 -5.02 135.00 138.60 1vle s PRO 53 Ca -0.01 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 61.64 1vle s PRO 53 Cb -0.03 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 1vle s PRO 53 CO -0.01 -1.72 1.20 -2.14 0.04 0.00 0.00 177.00 174.37 1vle s PRO 54 N -5.03 3.60 -1.25 0.56 0.02 -1.26 -4.87 135.00 126.77 1vle s PRO 54 Ca 0.61 1.84 -0.09 0.00 0.02 0.00 0.00 61.00 63.38 1vle s PRO 54 Cb -0.16 -2.34 -0.13 0.00 0.02 0.00 0.00 34.50 31.89 1vle s PRO 54 CO 0.55 -0.70 3.10 0.54 -0.33 0.00 0.00 177.00 180.17 1vle n ARG 55 N -0.66 3.30 -3.63 5.54 5.12 -1.26 -4.78 116.66 120.28 1vle n ARG 55 Ca 0.08 -1.92 -0.08 0.00 -1.93 0.00 0.00 57.85 54.00 1vle n ARG 55 Cb 0.48 -2.61 -0.02 0.00 -1.16 0.00 0.00 32.46 29.14 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 1.93 1.35 0.51 5.56 2.20 -1.26 -2.10 119.74 127.93 1vle s LYS 56 Ca 0.69 -0.64 0.06 0.00 -0.36 0.00 0.00 55.97 55.72 1vle s LYS 56 Cb 0.21 0.53 0.02 0.00 -1.51 0.00 0.00 37.83 37.08 1vle s LYS 56 CO -0.05 -0.60 0.38 0.95 -0.36 0.00 0.00 175.35 175.67 1vle s THR 57 N -3.61 1.87 0.06 3.43 -4.23 -0.36 -4.97 115.64 107.84 1vle s THR 57 Ca 0.07 -1.48 -0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1vle s THR 57 Cb -0.03 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 1vle s THR 57 CO -0.03 0.00 -0.04 -0.94 -0.54 0.00 0.00 174.62 173.07 1vle s SER 58 N -4.23 0.64 0.17 3.99 1.04 -1.26 -4.32 113.70 109.74 1vle s SER 58 Ca 0.37 -0.96 0.05 0.00 0.48 0.00 0.00 55.95 55.89 1vle s SER 58 Cb -0.02 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 1vle s SER 58 CO 0.23 -0.54 -0.11 0.27 0.98 0.00 0.00 173.24 174.07 1vle s ILE 59 N -3.65 1.34 0.51 -1.02 -4.36 -1.26 -4.39 121.20 108.37 1vle s ILE 59 Ca 0.06 -2.11 -0.05 0.00 -0.26 0.00 0.00 60.65 58.30 1vle s ILE 59 Cb 0.06 -1.94 -0.02 0.00 1.25 0.00 0.00 42.46 41.81 1vle s ILE 59 CO -0.08 -0.67 0.80 0.00 0.24 0.00 0.00 174.94 175.23 1vle s ALA 60 N -3.22 3.42 0.20 2.27 0.00 -0.82 -4.41 121.76 119.21 1vle s ALA 60 Ca 0.19 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 1vle s ALA 60 Cb 0.02 -2.52 0.24 0.00 0.00 0.00 0.00 23.12 20.86 1vle s ALA 60 CO 0.03 -0.49 1.77 -1.35 0.00 0.00 0.00 175.76 175.72 1vle h PRO 61 N 0.13 0.47 0.00 0.00 0.11 -1.92 -1.35 132.00 129.44 1vle h PRO 61 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1vle h PRO 61 Cb 1.23 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1vle h PRO 61 CO 0.61 0.31 -0.03 0.10 -0.21 0.00 0.00 178.00 178.78 1vle h TYR 62 N 0.49 0.00 0.12 0.65 -0.00 -1.91 -1.01 116.97 115.31 1vle h TYR 62 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 58.73 58.69 1vle h TYR 62 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.01 1vle h TYR 62 CO -0.13 0.03 -1.73 1.15 -0.00 0.00 0.00 178.16 177.48 1vle h THR 63 N 0.00 0.92 -0.65 -0.90 2.02 -1.70 -2.71 112.91 109.89 1vle h THR 63 Ca -0.00 -2.59 0.07 0.00 0.77 0.00 0.00 66.41 64.66 1vle h THR 63 Cb 0.18 2.66 -0.04 0.00 -1.74 0.00 0.00 68.15 69.21 1vle h THR 63 CO 0.00 0.81 0.43 0.00 0.37 0.00 0.00 175.52 177.14 1vle h ALA 64 N 0.34 1.83 -0.32 6.16 0.00 -0.15 -1.69 119.26 125.43 1vle h ALA 64 Ca -0.32 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1vle h ALA 64 Cb 2.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 1vle h ALA 64 CO 0.14 0.05 0.01 0.41 0.00 0.00 0.00 179.25 179.86 1vle n GLY 65 N -1.48 4.12 0.27 0.00 0.00 -0.63 -4.70 105.19 102.77 1vle n GLY 65 Ca 0.10 -1.07 0.06 0.00 0.00 0.00 0.00 46.02 45.11 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 1.80 0.19 -0.95 1.61 3.57 -0.96 -2.62 116.94 119.59 1vle h PHE 66 Ca 0.06 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.74 1vle h PHE 66 Cb 1.57 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 40.17 1vle h PHE 66 CO 0.66 0.15 0.60 -0.22 -2.23 0.00 0.00 178.31 177.28 1vle h LYS 67 N 0.20 0.61 0.00 1.11 3.64 -1.84 0.42 116.57 120.71 1vle h LYS 67 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1vle h LYS 67 Cb 0.04 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1vle h LYS 67 CO -0.01 0.40 0.00 0.66 -2.27 0.00 0.00 179.45 178.24 1vle h SER 68 N 0.62 0.00 0.47 4.20 4.64 -1.85 -2.14 113.55 119.49 1vle h SER 68 Ca 0.51 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.53 1vle h SER 68 Cb 0.96 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1vle h SER 68 CO -0.26 0.00 -1.49 0.24 -0.87 0.00 0.00 176.83 174.45 1vle h MET 69 N 0.00 0.25 0.18 4.77 2.86 -0.31 -2.84 114.93 119.84 1vle h MET 69 Ca 0.00 -0.43 -0.01 0.00 -2.06 0.00 0.00 59.70 57.20 1vle h MET 69 Cb 0.35 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1vle h MET 69 CO 0.00 1.13 -0.08 0.82 1.06 0.00 0.00 176.91 179.83 1vle h ILE 70 N 0.07 0.89 -0.41 -1.22 2.04 -0.96 -2.92 117.51 115.00 1vle h ILE 70 Ca -0.23 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.20 1vle h ILE 70 Cb 2.01 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 39.11 1vle h ILE 70 CO 0.17 0.07 0.14 -1.22 0.00 0.00 0.00 178.15 177.31 1vle n TYR 71 N -5.12 1.37 -1.81 1.37 4.01 -0.89 -4.96 117.16 111.13 1vle n TYR 71 Ca -0.09 -0.73 -0.39 0.00 -0.16 0.00 0.00 57.90 56.54 1vle n TYR 71 Cb 0.17 -0.45 0.03 0.00 -0.31 0.00 0.00 39.34 38.78 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 -0.37 5.50 0.00 7.72 0.15 -1.07 -4.90 113.70 120.74 1vle s SER 72 Ca 0.31 2.80 0.29 0.00 0.70 0.00 0.00 55.95 60.05 1vle s SER 72 Cb 0.24 -2.64 1.34 0.00 -1.71 0.00 0.00 66.02 63.25 1vle s SER 72 CO 0.08 -1.41 1.92 -0.90 1.20 0.00 0.00 173.24 174.12 1vle n ASP 73 N -0.73 0.60 -1.15 5.45 5.75 -1.26 -2.72 116.55 122.49 1vle n ASP 73 Ca 0.08 -0.90 0.12 0.00 -0.01 0.00 0.00 54.79 54.08 1vle n ASP 73 Cb 0.44 -0.03 0.22 0.00 -1.03 0.00 0.00 41.12 40.72 1vle n ASP 73 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1vle n LEU 74 N -0.70 3.48 -4.72 -2.12 4.77 -1.26 -4.93 117.00 111.52 1vle n LEU 74 Ca 0.18 -1.56 -0.42 0.00 -0.03 0.00 0.00 56.01 54.18 1vle n LEU 74 Cb 0.26 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1vle n LEU 74 CO 0.21 0.76 1.11 -0.60 -1.33 0.00 0.00 177.39 177.54 1vle s ARG 75 N -1.41 4.29 -0.13 3.23 6.06 -1.10 0.33 118.95 130.22 1vle s ARG 75 Ca 0.39 2.20 -0.29 0.00 -2.50 0.00 0.00 55.73 55.53 1vle s ARG 75 Cb 0.22 -3.19 -0.05 0.00 0.06 0.00 0.00 34.95 31.99 1vle s ARG 75 CO 0.31 -0.46 1.90 0.42 -2.50 0.00 0.00 175.30 174.97 1vle s ILE 76 N 0.79 3.28 0.17 4.11 1.01 -0.44 -4.75 121.20 125.37 1vle s ILE 76 Ca 0.64 0.32 0.19 0.00 0.00 0.00 0.00 60.65 61.80 1vle s ILE 76 Cb -0.40 -3.28 0.15 0.00 0.01 0.00 0.00 42.46 38.94 1vle s ILE 76 CO 0.34 -0.11 1.75 1.55 0.00 0.00 0.00 174.94 178.47 1vle h PRO 77 N 11.88 0.00 -1.06 2.79 0.13 -1.90 -3.43 132.00 140.41 1vle h PRO 77 Ca -0.41 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.09 1vle h PRO 77 Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 1vle h PRO 77 CO 0.97 0.35 0.98 1.52 -0.23 0.00 0.00 178.00 181.59 1vle s TYR 78 N -3.64 -0.01 0.40 1.56 -0.85 -1.26 -0.78 117.35 112.77 1vle s TYR 78 Ca 0.00 -0.00 -0.24 0.00 -0.52 0.00 0.00 57.07 56.31 1vle s TYR 78 Cb 0.11 0.50 -0.12 0.00 0.38 0.00 0.00 41.96 42.83 1vle s TYR 78 CO 0.68 -0.03 0.78 -2.30 -1.52 0.00 0.00 175.55 173.15 1vle n PRO 79 N -0.37 0.92 -4.06 -3.49 -0.02 -1.26 -4.66 135.00 122.07 1vle n PRO 79 Ca -0.06 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.62 1vle n PRO 79 Cb 0.62 -1.73 -0.12 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.73 0.45 0.01 -0.52 -1.94 -0.64 -2.59 119.30 112.34 1vle s MET 80 Ca 0.63 -0.58 0.06 0.00 -1.71 0.00 0.00 55.69 54.08 1vle s MET 80 Cb -0.61 -0.25 -0.02 0.00 2.01 0.00 0.00 34.83 35.97 1vle s MET 80 CO 0.57 0.05 -0.17 0.21 -0.01 0.00 0.00 175.02 175.67 1vle s LYS 81 N -1.19 1.32 -0.19 2.03 2.20 0.02 -0.67 119.74 123.26 1vle s LYS 81 Ca -0.08 -0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 54.54 1vle s LYS 81 Cb -0.08 -1.32 -0.01 0.00 -1.51 0.00 0.00 37.83 34.91 1vle s LYS 81 CO 0.00 0.35 1.29 0.50 -0.36 0.00 0.00 175.35 177.13 1vle s ARG 82 N -0.67 4.16 0.20 4.03 3.52 0.19 -0.61 118.95 129.77 1vle s ARG 82 Ca 0.06 1.59 -0.12 0.00 -0.13 0.00 0.00 55.73 57.13 1vle s ARG 82 Cb -0.07 -3.80 0.25 0.00 -1.56 0.00 0.00 34.95 29.77 1vle s ARG 82 CO 0.00 -0.81 1.66 0.87 -0.81 0.00 0.00 175.30 176.21 1vle h LYS 83 N 8.51 0.08 0.00 5.12 1.57 -1.41 -1.03 116.57 129.41 1vle h LYS 83 Ca -0.27 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1vle h LYS 83 Cb 1.10 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1vle h LYS 83 CO 0.98 0.05 0.00 -1.13 -0.57 0.00 0.00 179.45 178.79 1vle n SER 84 N -5.30 0.00 -4.51 0.86 3.41 -1.26 -4.67 113.62 102.14 1vle n SER 84 Ca 0.08 -0.58 -0.41 0.00 -0.26 0.00 0.00 58.87 57.70 1vle n SER 84 Cb 0.33 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.17 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 3.23 -0.33 7.33 5.36 -0.39 -4.24 117.98 126.93 1vle s PHE 85 Ca 0.24 -0.31 0.00 0.00 -0.96 0.00 0.00 56.93 55.90 1vle s PHE 85 Cb 0.11 -2.49 0.08 0.00 -0.34 0.00 0.00 43.02 40.38 1vle s PHE 85 CO 0.19 -0.41 0.04 0.34 -1.46 0.00 0.00 175.22 173.91 1vle s ASP 86 N 1.70 4.87 0.50 6.13 -1.08 -0.30 -4.87 116.67 123.62 1vle s ASP 86 Ca 0.06 -1.68 0.24 0.00 -0.52 0.00 0.00 52.55 50.64 1vle s ASP 86 Cb -0.18 -1.69 1.30 0.00 -1.46 0.00 0.00 42.92 40.90 1vle s ASP 86 CO 0.10 -0.34 1.93 -0.65 0.52 0.00 0.00 175.17 176.73 1vle h PRO 87 N 7.88 0.14 -0.61 4.34 0.11 -1.96 -0.76 132.00 141.13 1vle h PRO 87 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1vle h PRO 87 Cb 1.04 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1vle h PRO 87 CO 0.55 0.09 0.00 0.09 -0.21 0.00 0.00 178.00 178.53 1vle n ASN 88 N -4.39 3.65 0.00 -2.05 4.13 -1.26 -4.97 115.26 110.37 1vle n ASN 88 Ca 0.14 -2.02 0.00 0.00 1.68 0.00 0.00 54.58 54.38 1vle n ASN 88 Cb 0.69 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 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 1.26 3.85 3.65 7.41 0.00 -0.29 -5.10 105.19 115.97 1vle n GLY 89 Ca 0.20 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 3.45 4.17 0.13 1.61 0.41 -1.24 -4.83 118.70 122.39 1vle s GLU 90 Ca 0.00 1.26 0.25 0.00 -0.41 0.00 0.00 54.97 56.07 1vle s GLU 90 Cb 0.00 -3.70 0.45 0.00 -1.78 0.00 0.00 34.13 29.10 1vle s GLU 90 CO 0.00 -0.76 1.42 0.54 -0.49 0.00 0.00 175.26 175.96 1vle n ARG 91 N 6.60 0.28 -4.02 1.61 1.74 -1.25 -1.15 116.66 120.47 1vle n ARG 91 Ca 0.12 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.90 1vle n ARG 91 Cb 0.46 -1.70 0.01 0.00 -1.02 0.00 0.00 32.46 30.22 1vle n ARG 91 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1vle n ASN 92 N -2.12 -4.29 -0.17 0.55 3.02 -1.26 -4.48 115.26 106.52 1vle n ASN 92 Ca 0.04 -1.23 0.14 0.00 -0.03 0.00 0.00 54.58 53.50 1vle n ASN 92 Cb 0.43 -1.60 0.48 0.00 -0.61 0.00 0.00 39.78 38.49 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 -2.04 0.45 0.00 3.52 0.11 -1.90 -0.02 132.00 132.13 1vle h PRO 93 Ca -0.70 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.38 1vle h PRO 93 Cb 1.41 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1vle h PRO 93 CO 0.48 0.30 0.00 0.00 -0.21 0.00 0.00 178.00 178.57 1vle n GLN 94 N -4.49 0.18 -0.09 1.05 0.00 -1.25 -2.64 117.38 110.13 1vle n GLN 94 Ca 0.14 0.15 0.11 0.00 0.00 0.00 0.00 57.00 57.41 1vle n GLN 94 Cb 0.48 -1.50 0.15 0.00 0.00 0.00 0.00 30.24 29.37 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 -1.34 3.15 -4.72 2.61 4.77 -0.02 -4.83 117.00 116.62 1vle n LEU 95 Ca 0.07 -1.25 -0.42 0.00 -0.03 0.00 0.00 56.01 54.38 1vle n LEU 95 Cb 0.15 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1vle n LEU 95 CO 0.13 0.61 1.09 -0.13 -1.33 0.00 0.00 177.39 177.76 1vle s ARG 96 N -1.67 4.30 0.00 3.23 0.52 -1.08 -1.72 118.95 122.53 1vle s ARG 96 Ca 0.32 2.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.65 1vle s ARG 96 Cb 0.20 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.44 1vle s ARG 96 CO 0.29 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.56 1vle n GLY 97 N 3.54 0.84 0.26 -3.53 0.00 -1.20 -4.77 105.19 100.33 1vle n GLY 97 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 0.93 -0.87 4.61 0.00 -1.62 -1.08 119.26 121.24 1vle h ALA 98 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1vle h ALA 98 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1vle h ALA 98 CO 0.00 -0.10 0.50 0.78 0.00 0.00 0.00 179.25 180.42 1vle h GLY 99 N 0.53 1.27 1.01 0.00 0.00 -1.82 -1.42 103.07 102.65 1vle h GLY 99 Ca 0.34 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1vle h GLY 99 CO -0.29 0.53 0.47 -2.00 0.00 0.00 0.00 176.54 175.25 1vle h LEU 100 N 1.20 0.94 -0.51 3.11 5.85 -1.47 0.24 115.31 124.66 1vle h LEU 100 Ca 0.31 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1vle h LEU 100 Cb -0.01 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1vle h LEU 100 CO -0.05 0.73 0.00 -1.20 -0.34 0.00 0.00 178.44 177.57 1vle n SER 101 N -4.48 0.31 -0.15 1.25 7.64 -0.52 -1.20 113.62 116.48 1vle n SER 101 Ca 0.07 0.60 0.05 0.00 1.01 0.00 0.00 58.87 60.61 1vle n SER 101 Cb 0.06 -0.66 0.09 0.00 -1.01 0.00 0.00 64.21 62.68 1vle n SER 101 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1vle n LYS 102 N -1.88 2.29 -2.60 1.43 2.85 -0.32 -4.18 118.16 115.75 1vle n LYS 102 Ca 0.01 -2.08 -0.19 0.00 -1.05 0.00 0.00 58.31 55.00 1vle n LYS 102 Cb 0.12 -1.29 0.01 0.00 -0.65 0.00 0.00 35.03 33.22 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 -0.80 -2.74 -2.97 -1.58 3.00 -0.34 -4.96 117.38 107.00 1vle n GLN 103 Ca 0.09 0.85 -0.15 0.00 -0.01 0.00 0.00 57.00 57.78 1vle n GLN 103 Cb 0.47 -5.42 -0.01 0.00 0.00 0.00 0.00 30.24 25.28 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 -1.72 -1.72 -0.10 1.08 2.03 0.68 -4.99 116.55 111.82 1vle n ASP 104 Ca -0.17 -2.94 -0.06 0.00 0.52 0.00 0.00 54.79 52.15 1vle n ASP 104 Cb 0.64 0.74 0.00 0.00 -0.72 0.00 0.00 41.12 41.79 1vle n ASP 104 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1vle h PRO 105 N 4.36 -0.08 -0.92 -0.67 0.11 -1.90 -2.75 132.00 130.16 1vle h PRO 105 Ca 0.00 0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.29 1vle h PRO 105 Cb 0.98 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.03 1vle h PRO 105 CO 0.33 -0.05 0.59 -1.49 -0.21 0.00 0.00 178.00 177.16 1vle h TRP 106 N -0.08 0.79 0.00 0.65 4.06 -1.96 -1.27 115.95 118.14 1vle h TRP 106 Ca 0.17 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.15 1vle h TRP 106 Cb 0.35 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 1vle h TRP 106 CO -0.37 0.25 0.00 -1.13 -3.56 0.00 0.00 178.44 173.63 1vle n SER 107 N -4.58 0.44 0.15 -3.49 3.41 -1.04 -1.47 113.62 107.05 1vle n SER 107 Ca 0.19 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.62 1vle n SER 107 Cb 0.55 -0.75 0.27 0.00 -0.26 0.00 0.00 64.21 64.01 1vle n SER 107 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1vle h ASP 108 N 0.00 0.00 -2.59 4.04 5.19 -1.37 -3.47 116.42 118.22 1vle h ASP 108 Ca 0.00 -0.02 -0.61 0.00 -0.62 0.00 0.00 57.03 55.78 1vle h ASP 108 Cb 0.05 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.42 1vle h ASP 108 CO 0.00 0.01 -0.74 -0.31 -3.12 0.00 0.00 179.24 175.08 1vle s TYR 109 N -3.16 2.45 0.08 4.55 1.51 -0.54 -1.02 117.35 121.23 1vle s TYR 109 Ca 0.08 -0.29 0.05 0.00 -1.01 0.00 0.00 57.07 55.90 1vle s TYR 109 Cb 0.09 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1vle s TYR 109 CO 0.65 0.61 -0.13 -1.83 -1.11 0.00 0.00 175.55 173.74 1vle s GLU 110 N -3.22 0.84 0.40 -0.62 -1.05 0.22 -4.86 118.70 110.40 1vle s GLU 110 Ca 0.27 -1.03 -0.25 0.00 -0.15 0.00 0.00 54.97 53.81 1vle s GLU 110 Cb -0.07 -0.73 -0.09 0.00 -0.44 0.00 0.00 34.13 32.81 1vle s GLU 110 CO 0.15 0.15 1.09 0.50 0.95 0.00 0.00 175.26 178.09 1vle s ARG 111 N -2.12 4.14 0.07 -4.83 3.52 -1.26 -0.80 118.95 117.66 1vle s ARG 111 Ca 0.01 1.62 -0.11 0.00 -0.13 0.00 0.00 55.73 57.12 1vle s ARG 111 Cb -0.08 -2.61 0.01 0.00 -1.56 0.00 0.00 34.95 30.71 1vle s ARG 111 CO 0.02 -0.19 0.23 0.96 -0.81 0.00 0.00 175.30 175.52 1vle s ILE 112 N -1.56 0.11 0.67 4.11 -4.36 -1.07 -4.85 121.20 114.26 1vle s ILE 112 Ca 0.57 -0.94 -0.13 0.00 -0.26 0.00 0.00 60.65 59.90 1vle s ILE 112 Cb -0.25 -1.12 -0.00 0.00 1.25 0.00 0.00 42.46 42.34 1vle s ILE 112 CO 0.31 -0.52 1.06 -0.94 0.24 0.00 0.00 174.94 175.10 1vle s SER 113 N -2.47 5.40 0.29 4.36 1.04 -1.26 -4.02 113.70 117.04 1vle s SER 113 Ca -0.00 1.72 -0.02 0.00 0.48 0.00 0.00 55.95 58.13 1vle s SER 113 Cb 0.02 -2.51 0.42 0.00 0.10 0.00 0.00 66.02 64.04 1vle s SER 113 CO -0.07 -1.43 1.90 -0.50 0.98 0.00 0.00 173.24 174.11 1vle h TRP 114 N -0.36 0.96 -0.66 5.02 4.06 -1.97 -0.49 115.95 122.51 1vle h TRP 114 Ca -0.45 -0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.45 1vle h TRP 114 Cb 1.22 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 29.04 1vle h TRP 114 CO 0.60 0.69 0.33 0.22 -3.56 0.00 0.00 178.44 176.72 1vle h ASP 115 N 0.97 0.86 -0.07 -3.49 3.58 -1.99 -0.39 116.42 115.88 1vle h ASP 115 Ca 0.24 -0.12 -0.20 0.00 0.42 0.00 0.00 57.03 57.37 1vle h ASP 115 Cb 0.08 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 40.92 1vle h ASP 115 CO -0.03 0.74 -0.73 -0.08 -2.88 0.00 0.00 179.24 176.26 1vle h GLU 116 N 0.91 0.63 -0.07 0.28 4.81 -1.86 -2.26 114.58 117.01 1vle h GLU 116 Ca 0.23 -0.57 0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1vle h GLU 116 Cb 0.10 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1vle h GLU 116 CO -0.03 1.19 -0.11 0.00 -0.73 0.00 0.00 179.01 179.33 1vle h ALA 117 N 0.45 -0.06 -0.49 2.92 0.00 -0.94 -0.65 119.26 120.49 1vle h ALA 117 Ca -0.07 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1vle h ALA 117 Cb 1.38 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1vle h ALA 117 CO 0.15 -0.58 -0.00 1.79 0.00 0.00 0.00 179.25 180.60 1vle h THR 118 N -0.15 1.25 -0.61 0.00 1.35 -1.14 -2.08 112.91 111.52 1vle h THR 118 Ca 0.07 -1.02 0.01 0.00 -0.55 0.00 0.00 66.41 64.92 1vle h THR 118 Cb 0.25 0.88 -0.03 0.00 -1.73 0.00 0.00 68.15 67.51 1vle h THR 118 CO -0.16 0.36 0.39 0.44 -0.25 0.00 0.00 175.52 176.30 1vle h ASP 119 N 0.76 0.66 -0.44 5.36 3.32 -0.87 0.72 116.42 125.93 1vle h ASP 119 Ca 0.15 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1vle h ASP 119 Cb 0.46 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1vle h ASP 119 CO 0.02 0.47 0.23 0.40 -1.72 0.00 0.00 179.24 178.65 1vle h ILE 120 N 0.79 1.17 -0.41 0.35 2.04 -0.82 -0.27 117.51 120.35 1vle h ILE 120 Ca 0.23 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1vle h ILE 120 Cb -0.05 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1vle h ILE 120 CO -0.07 0.18 0.10 0.58 0.00 0.00 0.00 178.15 178.94 1vle h VAL 121 N 0.58 1.23 -0.39 1.67 2.07 -0.98 -2.36 116.25 118.07 1vle h VAL 121 Ca 0.16 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1vle h VAL 121 Cb 0.08 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1vle h VAL 121 CO -0.02 0.27 0.07 0.58 0.02 0.00 0.00 177.57 178.49 1vle h VAL 122 N 0.52 1.19 -0.73 2.57 2.07 -0.66 -0.46 116.25 120.75 1vle h VAL 122 Ca 0.13 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 1vle h VAL 122 Cb 0.31 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1vle h VAL 122 CO 0.00 0.25 0.20 0.00 0.02 0.00 0.00 177.57 178.04 1vle h ALA 123 N 1.51 0.97 -0.30 1.67 0.00 -0.78 -1.83 119.26 120.50 1vle h ALA 123 Ca 0.13 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1vle h ALA 123 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1vle h ALA 123 CO 0.00 0.67 -0.26 0.93 0.00 0.00 0.00 179.25 180.59 1vle h GLU 124 N 1.09 0.70 -0.03 0.00 4.39 -0.86 -1.93 114.58 117.94 1vle h GLU 124 Ca 0.23 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1vle h GLU 124 Cb 0.35 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1vle h GLU 124 CO -0.00 0.97 0.01 0.82 -1.16 0.00 0.00 179.01 179.64 1vle h ILE 125 N 0.45 0.99 -0.39 3.13 2.04 -0.94 -1.43 117.51 121.36 1vle h ILE 125 Ca 0.05 -0.01 -0.14 0.00 1.00 0.00 0.00 64.86 65.76 1vle h ILE 125 Cb 0.82 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1vle h ILE 125 CO 0.07 0.00 -0.32 0.78 0.00 0.00 0.00 178.15 178.68 1vle h ASN 126 N 0.02 0.92 -0.17 1.72 2.35 -1.38 -0.76 115.58 118.29 1vle h ASN 126 Ca 0.01 -0.39 -0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1vle h ASN 126 Cb 0.01 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1vle h ASN 126 CO -0.01 1.16 0.10 -0.09 -1.65 0.00 0.00 177.43 176.93 1vle h ARG 127 N 0.73 0.23 -0.59 0.81 2.43 -1.26 -2.29 114.38 114.44 1vle h ARG 127 Ca 0.08 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1vle h ARG 127 Cb 0.89 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1vle h ARG 127 CO 0.08 0.22 0.10 0.82 -1.51 0.00 0.00 179.97 179.68 1vle h ILE 128 N 0.18 1.26 -0.66 1.20 2.04 -1.20 -2.02 117.51 118.31 1vle h ILE 128 Ca 0.06 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 1vle h ILE 128 Cb 0.05 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1vle h ILE 128 CO -0.01 0.36 0.31 0.11 0.00 0.00 0.00 178.15 178.92 1vle h LYS 129 N 0.87 0.95 0.00 2.37 1.57 -1.04 0.49 116.57 121.78 1vle h LYS 129 Ca 0.18 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1vle h LYS 129 Cb 0.41 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1vle h LYS 129 CO 0.01 0.76 0.00 0.45 -0.57 0.00 0.00 179.45 180.10 1vle h HIS 130 N 0.91 0.00 0.01 -1.35 3.86 -1.34 -0.46 115.15 116.79 1vle h HIS 130 Ca 0.22 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 59.05 1vle h HIS 130 Cb 0.13 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.53 1vle h HIS 130 CO 0.00 0.00 -2.42 0.00 0.86 0.00 0.00 177.93 176.37 1vle n ALA 131 N -1.89 1.39 0.00 2.45 0.00 -0.77 -4.81 120.51 116.89 1vle n ALA 131 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1vle n ALA 131 Cb 0.42 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -3.23 0.00 0.00 0.00 4.01 0.16 -5.08 117.16 113.02 1vle n TYR 132 Ca -0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 1vle n TYR 132 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.04 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 2.51 2.43 0.41 2.72 0.00 -0.18 -4.63 105.19 108.45 1vle n GLY 133 Ca 0.00 -1.98 0.21 0.00 0.00 0.00 0.00 46.02 44.25 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 0.21 0.00 1.61 0.11 -1.86 -1.68 132.00 130.39 1vle h PRO 134 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1vle h PRO 134 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1vle h PRO 134 CO 0.00 0.14 0.00 0.66 -0.21 0.00 0.00 178.00 178.59 1vle h SER 135 N 0.22 0.00 0.82 -2.05 4.64 -1.87 -2.05 113.55 113.26 1vle h SER 135 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1vle h SER 135 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1vle h SER 135 CO -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 1vle n ALA 136 N -2.08 2.09 -3.16 5.18 0.00 -0.63 -4.21 120.51 117.70 1vle n ALA 136 Ca -0.02 -0.08 -0.45 0.00 0.00 0.00 0.00 53.44 52.89 1vle n ALA 136 Cb 0.15 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 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 -3.00 5.01 0.40 0.00 1.01 -0.77 -0.40 121.20 123.45 1vle s ILE 137 Ca 0.11 -1.19 -0.19 0.00 0.00 0.00 0.00 60.65 59.38 1vle s ILE 137 Cb 0.16 -4.39 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 1vle s ILE 137 CO 0.43 -0.97 0.89 -0.22 0.00 0.00 0.00 174.94 175.07 1vle s LEU 138 N 2.16 3.98 -0.14 2.97 2.96 0.16 -1.47 118.68 129.30 1vle s LEU 138 Ca 0.08 1.57 -0.30 0.00 -0.22 0.00 0.00 54.13 55.25 1vle s LEU 138 Cb -0.26 -4.40 0.11 0.00 0.50 0.00 0.00 46.19 42.13 1vle s LEU 138 CO 0.05 -0.31 0.88 -0.55 -1.32 0.00 0.00 176.35 175.10 1vle s SER 139 N -2.20 -0.49 -0.29 3.68 0.15 -0.78 -0.03 113.70 113.73 1vle s SER 139 Ca 0.60 0.59 -0.25 0.00 0.70 0.00 0.00 55.95 57.59 1vle s SER 139 Cb -0.09 0.47 0.17 0.00 -1.71 0.00 0.00 66.02 64.86 1vle s SER 139 CO 0.14 -0.41 1.33 0.28 1.20 0.00 0.00 173.24 175.78 1vle s THR 140 N -0.97 0.00 0.00 6.45 -1.32 -1.14 -2.37 115.64 116.28 1vle s THR 140 Ca -0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 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 0.04 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.64 1vle n PRO 141 N 1.80 0.00 -2.24 7.08 -0.04 -1.26 -2.28 135.00 138.06 1vle n PRO 141 Ca -0.11 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.31 1vle n PRO 141 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1vle n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vle n SER 142 N 0.00 -0.77 -0.05 3.54 2.88 -1.26 -4.78 113.62 113.19 1vle n SER 142 Ca 0.00 -1.67 -0.08 0.00 -1.33 0.00 0.00 58.87 55.79 1vle n SER 142 Cb 0.00 1.32 -0.03 0.00 -0.75 0.00 0.00 64.21 64.75 1vle n SER 142 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1vle h SER 143 N 0.78 -0.20 -1.87 -3.46 0.02 -1.99 -3.45 113.55 103.38 1vle h SER 143 Ca -0.12 0.06 -0.54 0.00 -0.84 0.00 0.00 61.79 60.35 1vle h SER 143 Cb 0.48 0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.07 1vle h SER 143 CO 0.16 -0.07 -0.54 -1.00 -1.14 0.00 0.00 176.83 174.24 1vle s HIS 144 N -6.20 2.71 0.14 3.45 3.76 -1.26 -5.10 115.29 112.78 1vle s HIS 144 Ca -0.13 -0.39 -0.15 0.00 -0.15 0.00 0.00 55.06 54.23 1vle s HIS 144 Cb 0.10 -1.65 0.03 0.00 1.11 0.00 0.00 32.58 32.17 1vle s HIS 144 CO 0.69 0.33 0.41 -1.58 -0.85 0.00 0.00 174.74 173.74 1vle s HIS 145 N -2.43 -0.12 0.32 1.40 2.46 -1.26 -5.07 115.29 110.59 1vle s HIS 145 Ca 0.38 -0.22 -0.28 0.00 0.47 0.00 0.00 55.06 55.41 1vle s HIS 145 Cb -0.02 0.25 -0.13 0.00 -0.13 0.00 0.00 32.58 32.55 1vle s HIS 145 CO 0.23 -0.75 1.23 -1.33 -2.47 0.00 0.00 174.74 171.65 1vle n MET 146 N -0.24 1.93 -1.87 2.88 2.81 -1.26 -4.83 117.12 116.53 1vle n MET 146 Ca -0.14 0.68 -0.41 0.00 -1.81 0.00 0.00 57.70 56.02 1vle n MET 146 Cb 0.63 -2.21 -0.01 0.00 -0.71 0.00 0.00 33.22 30.93 1vle n MET 146 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1vle s TRP 147 N -1.02 2.71 0.00 2.03 -0.11 -1.26 -4.78 118.94 116.50 1vle s TRP 147 Ca 0.57 1.19 0.00 0.00 1.22 0.00 0.00 56.10 59.08 1vle s TRP 147 Cb -0.61 -3.95 0.00 0.00 -1.50 0.00 0.00 33.47 27.41 1vle s TRP 147 CO 0.61 -2.78 0.00 0.41 -4.62 0.00 0.00 176.95 170.57 1vle n GLY 148 N 0.69 2.86 0.12 5.86 0.00 -1.26 -4.76 105.19 108.69 1vle n GLY 148 Ca 0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 0.27 -0.35 1.61 4.21 -1.66 -0.52 115.58 119.14 1vle h ASN 149 Ca 0.00 -0.22 -0.10 0.00 1.21 0.00 0.00 56.30 57.18 1vle h ASN 149 Cb 0.00 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.11 1vle h ASN 149 CO 0.00 0.42 -0.15 0.58 -1.29 0.00 0.00 177.43 176.99 1vle h VAL 150 N 0.11 1.26 -0.01 2.81 2.07 -1.95 -3.05 116.25 117.50 1vle h VAL 150 Ca 0.06 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1vle h VAL 150 Cb 0.25 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1vle h VAL 150 CO -0.00 0.43 -0.24 0.61 0.02 0.00 0.00 177.57 178.39 1vle n GLY 151 N -0.34 -0.55 3.74 2.17 0.00 -1.22 -3.15 105.19 105.85 1vle n GLY 151 Ca 0.01 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.46 2.22 0.50 1.61 5.04 -0.21 -4.43 117.35 119.62 1vle s TYR 152 Ca 0.25 1.47 0.28 0.00 -2.44 0.00 0.00 57.07 56.63 1vle s TYR 152 Cb 0.19 -3.67 1.38 0.00 0.35 0.00 0.00 41.96 40.22 1vle s TYR 152 CO 0.50 -2.72 1.85 0.07 -1.34 0.00 0.00 175.55 173.91 1vle h ARG 153 N 0.88 0.12 0.00 4.97 0.11 -1.90 0.52 114.38 119.09 1vle h ARG 153 Ca -0.51 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.56 1vle h ARG 153 Cb 1.32 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1vle h ARG 153 CO 0.55 0.08 0.00 0.45 0.10 0.00 0.00 179.97 181.15 1vle h HIS 154 N 0.12 0.00 0.00 4.08 3.86 -1.90 -2.59 115.15 118.72 1vle h HIS 154 Ca 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 1vle h HIS 154 Cb 1.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.17 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 -2.58 0.00 0.17 2.45 2.88 0.18 -4.51 113.62 112.21 1vle n SER 155 Ca 0.03 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.44 1vle n SER 155 Cb 0.33 -0.19 -0.08 0.00 -0.75 0.00 0.00 64.21 63.53 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 0.61 -0.54 2.46 2.02 -1.28 -1.78 112.91 114.40 1vle h THR 156 Ca 0.00 -0.61 0.10 0.00 0.77 0.00 0.00 66.41 66.67 1vle h THR 156 Cb 0.00 0.89 -0.09 0.00 -1.74 0.00 0.00 68.15 67.22 1vle h THR 156 CO 0.00 0.11 0.03 0.22 0.37 0.00 0.00 175.52 176.25 1vle h TYR 157 N -0.83 0.03 -0.33 3.16 3.20 -1.71 -2.60 116.97 117.89 1vle h TYR 157 Ca -0.05 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 1vle h TYR 157 Cb 0.52 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1vle h TYR 157 CO 0.03 -0.10 -0.14 0.74 -1.64 0.00 0.00 178.16 177.05 1vle h PHE 158 N 0.15 0.77 -0.81 -3.82 0.05 -1.52 -1.89 116.94 109.87 1vle h PHE 158 Ca 0.27 -0.18 0.09 0.00 3.82 0.00 0.00 57.97 61.97 1vle h PHE 158 Cb 0.41 -0.18 -0.05 0.00 2.00 0.00 0.00 35.95 38.13 1vle h PHE 158 CO -0.30 0.87 0.53 -0.09 -0.18 0.00 0.00 178.31 179.14 1vle h ARG 159 N 0.44 0.75 0.00 1.51 2.43 -0.95 -1.83 114.38 116.73 1vle h ARG 159 Ca 0.08 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1vle h ARG 159 Cb 0.66 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1vle h ARG 159 CO 0.04 0.50 -0.00 0.35 -1.51 0.00 0.00 179.97 179.35 1vle h PHE 160 N 0.78 0.00 -1.00 2.20 3.57 -1.43 -3.33 116.94 117.72 1vle h PHE 160 Ca 0.37 0.00 0.20 0.00 3.53 0.00 0.00 57.97 62.07 1vle h PHE 160 Cb 0.40 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.02 1vle h PHE 160 CO -0.00 0.26 0.60 0.52 -2.23 0.00 0.00 178.31 177.46 1vle h MET 161 N -1.00 0.69 0.00 1.11 2.86 -1.32 0.17 114.93 117.43 1vle h MET 161 Ca -0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1vle h MET 161 Cb 0.26 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1vle h MET 161 CO -0.00 0.46 -0.02 -0.91 1.06 0.00 0.00 176.91 177.50 1vle h ASN 162 N 0.71 0.00 0.34 1.22 -0.26 -1.48 0.24 115.58 116.34 1vle h ASN 162 Ca 0.60 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.34 1vle h ASN 162 Cb 0.98 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.24 1vle h ASN 162 CO -0.41 0.02 -0.56 0.23 -1.06 0.00 0.00 177.43 175.65 1vle n MET 163 N -3.97 0.18 -0.05 0.81 2.81 0.54 -4.60 117.12 112.83 1vle n MET 163 Ca -0.03 -0.12 -0.07 0.00 -1.81 0.00 0.00 57.70 55.67 1vle n MET 163 Cb 0.10 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.31 0.37 0.00 0.03 0.00 -0.19 -5.10 117.12 110.93 1vle n MET 164 Ca 0.06 0.15 0.00 0.00 -0.00 0.00 0.00 57.70 57.91 1vle n MET 164 Cb 0.34 -1.15 0.00 0.00 0.00 0.00 0.00 33.22 32.42 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 2.07 1.80 3.61 -5.12 0.00 -0.10 -4.91 105.19 102.54 1vle n GLY 165 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 3.95 -0.03 -0.31 1.61 -0.12 -1.25 -4.82 117.98 117.02 1vle s PHE 166 Ca 0.00 0.01 -0.14 0.00 -0.05 0.00 0.00 56.93 56.75 1vle s PHE 166 Cb 0.00 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 1vle s PHE 166 CO 0.00 -0.06 0.30 0.99 -0.05 0.00 0.00 175.22 176.39 1vle s THR 167 N -2.12 5.23 0.08 -4.49 2.01 -0.54 -4.31 115.64 111.50 1vle s THR 167 Ca 0.12 0.17 -0.21 0.00 0.31 0.00 0.00 61.69 62.09 1vle s THR 167 Cb 0.02 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 1vle s THR 167 CO -0.04 0.08 0.61 -0.47 -0.69 0.00 0.00 174.62 174.11 1vle s TYR 168 N 1.91 3.81 -1.14 4.92 5.04 -1.26 -1.87 117.35 128.77 1vle s TYR 168 Ca 0.10 1.33 -0.13 0.00 -2.44 0.00 0.00 57.07 55.93 1vle s TYR 168 Cb -0.16 -2.56 0.20 0.00 0.35 0.00 0.00 41.96 39.79 1vle s TYR 168 CO 0.11 0.54 1.29 0.00 -1.34 0.00 0.00 175.55 176.15 1vle s ALA 169 N -0.99 4.18 0.38 3.97 0.00 -1.00 -2.13 121.76 126.16 1vle s ALA 169 Ca 0.30 -3.46 -0.26 0.00 0.00 0.00 0.00 51.96 48.55 1vle s ALA 169 Cb -0.20 -3.93 -0.11 0.00 0.00 0.00 0.00 23.12 18.88 1vle s ALA 169 CO 0.20 -2.60 1.13 -3.47 0.00 0.00 0.00 175.76 171.03 1vle n ASP 170 N 4.77 1.91 -4.76 0.00 -0.08 -0.78 -4.34 116.55 113.28 1vle n ASP 170 Ca 0.31 1.12 -0.40 0.00 -1.51 0.00 0.00 54.79 54.31 1vle n ASP 170 Cb 0.42 -1.40 -0.06 0.00 2.34 0.00 0.00 41.12 42.42 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 -1.17 3.97 0.61 -0.67 3.76 -1.26 -1.63 115.29 118.89 1vle s HIS 171 Ca 0.60 1.84 -0.15 0.00 -0.15 0.00 0.00 55.06 57.19 1vle s HIS 171 Cb -0.58 -2.92 -0.03 0.00 1.11 0.00 0.00 32.58 30.17 1vle s HIS 171 CO 0.59 0.48 1.06 0.54 -0.85 0.00 0.00 174.74 176.56 1vle s ASN 172 N -1.17 5.67 -1.33 1.40 4.22 -1.26 -3.40 114.94 119.07 1vle s ASN 172 Ca 0.39 1.82 -0.12 0.00 -2.14 0.00 0.00 52.86 52.81 1vle s ASN 172 Cb -0.25 -2.53 -0.05 0.00 1.28 0.00 0.00 41.25 39.69 1vle s ASN 172 CO 0.30 -1.24 2.45 -0.81 -2.04 0.00 0.00 177.10 175.76 1vle n PRO 173 N -2.18 2.85 -0.37 3.55 -0.04 -1.26 -4.77 135.00 132.79 1vle n PRO 173 Ca 0.09 -2.12 -0.08 0.00 -0.04 0.00 0.00 63.50 61.35 1vle n PRO 173 Cb 0.53 -2.89 -0.05 0.00 -0.04 0.00 0.00 33.50 31.05 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 5.92 -1.84 -0.81 3.54 3.04 -1.98 0.39 116.42 124.69 1vle h ASP 174 Ca 0.66 0.31 0.13 0.00 -3.24 0.00 0.00 57.03 54.89 1vle h ASP 174 Cb 0.41 0.85 -0.06 0.00 -1.04 0.00 0.00 39.33 39.49 1vle h ASP 174 CO 1.77 -0.27 0.53 0.28 -2.04 0.00 0.00 179.24 179.51 1vle h SER 175 N -0.05 0.56 0.00 4.15 0.02 -2.00 -3.24 113.55 112.99 1vle h SER 175 Ca 0.22 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 1vle h SER 175 Cb 0.50 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1vle h SER 175 CO -0.91 0.30 -1.92 0.79 -1.14 0.00 0.00 176.83 173.96 1vle n TRP 176 N -4.52 0.00 0.00 3.45 8.01 -0.32 -4.50 117.44 119.56 1vle n TRP 176 Ca 0.15 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.34 1vle n TRP 176 Cb 0.45 -0.52 0.00 0.00 -2.01 0.00 0.00 31.31 29.22 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 -2.26 0.00 -0.26 -0.99 -0.58 0.12 0.10 120.64 116.77 1vle n GLU 177 Ca -0.09 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.71 1vle n GLU 177 Cb 0.62 0.00 0.18 0.00 -0.57 0.00 0.00 31.44 31.67 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 0.93 1.75 0.62 0.00 -0.34 0.11 103.07 106.14 1vle h GLY 178 Ca 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 47.33 47.27 1vle h GLY 178 CO 0.00 -0.30 -0.60 1.49 0.00 0.00 0.00 176.54 177.13 1vle h TRP 179 N 0.12 0.33 0.21 5.60 4.06 0.41 -0.89 115.95 125.80 1vle h TRP 179 Ca 0.44 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 61.25 1vle h TRP 179 Cb 0.79 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.89 1vle h TRP 179 CO -0.40 0.79 -0.10 1.25 -3.56 0.00 0.00 178.44 176.42 1vle h HIS 180 N 0.19 -0.27 0.00 0.49 2.76 -0.61 0.12 115.15 117.83 1vle h HIS 180 Ca -0.01 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1vle h HIS 180 Cb 1.11 0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1vle h HIS 180 CO 0.02 0.10 -0.25 0.91 -1.30 0.00 0.00 177.93 177.42 1vle n TRP 181 N -4.97 0.24 0.03 5.26 7.02 0.18 -4.17 117.44 121.03 1vle n TRP 181 Ca -0.07 0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1vle n TRP 181 Cb 0.25 -0.52 0.00 0.00 -2.42 0.00 0.00 31.31 28.62 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 1.44 -0.01 0.35 6.99 0.00 -0.39 -4.82 105.19 108.75 1vle n GLY 182 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 0.67 0.32 -0.02 0.00 -1.15 -2.40 103.07 100.49 1vle h GLY 183 Ca 0.00 -0.20 0.15 0.00 0.00 0.00 0.00 47.33 47.27 1vle h GLY 183 CO 0.00 0.13 0.58 1.98 0.00 0.00 0.00 176.54 179.22 1vle h MET 184 N 0.49 0.81 0.00 4.80 -1.53 -0.93 0.18 114.93 118.75 1vle h MET 184 Ca 0.28 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.50 1vle h MET 184 Cb 0.47 -0.18 0.00 0.00 -0.55 0.00 0.00 31.60 31.33 1vle h MET 184 CO -0.09 0.54 0.00 0.45 0.14 0.00 0.00 176.91 177.95 1vle h HIS 185 N 0.84 0.00 0.08 1.39 3.86 -1.71 0.65 115.15 120.26 1vle h HIS 185 Ca 0.51 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 59.36 1vle h HIS 185 Cb 0.64 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 1vle h HIS 185 CO -0.03 0.00 -2.05 -0.12 0.86 0.00 0.00 177.93 176.59 1vle n MET 186 N -2.95 0.72 -0.06 2.45 0.00 0.50 -4.64 117.12 113.15 1vle n MET 186 Ca 0.01 0.24 0.00 0.00 0.00 0.00 0.00 57.70 57.95 1vle n MET 186 Cb 0.32 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 31.86 1vle n MET 186 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 175.97 173.30 1vle n TRP 187 N -3.35 0.00 0.00 1.12 4.27 -0.54 -0.39 117.44 118.56 1vle n TRP 187 Ca -0.32 -0.07 0.00 0.00 -3.89 0.00 0.00 57.50 53.22 1vle n TRP 187 Cb 1.04 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.98 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 -0.08 1.14 3.30 -1.67 0.00 0.22 -4.37 105.19 103.73 1vle n GLY 188 Ca 0.00 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 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 11.61 -1.99 0.03 1.61 3.01 -1.26 -4.32 117.46 126.14 1vle n PHE 189 Ca 0.00 0.58 0.07 0.00 1.01 0.00 0.00 57.45 59.10 1vle n PHE 189 Cb 0.00 -3.85 0.48 0.00 -0.01 0.00 0.00 39.48 36.10 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 -1.38 0.36 0.66 4.37 4.64 -1.90 0.05 113.55 120.35 1vle h SER 190 Ca -0.50 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1vle h SER 190 Cb 1.34 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1vle h SER 190 CO 0.57 0.25 0.00 -2.67 -0.87 0.00 0.00 176.83 174.11 1vle n TRP 191 N -4.48 0.57 -0.48 4.77 2.14 -1.17 -1.17 117.44 117.63 1vle n TRP 191 Ca 0.04 0.23 0.06 0.00 2.07 0.00 0.00 57.50 59.89 1vle n TRP 191 Cb 0.14 -0.86 0.16 0.00 -0.81 0.00 0.00 31.31 29.94 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 -2.02 2.76 -2.80 -2.67 1.74 -0.14 -4.39 116.66 109.14 1vle n ARG 192 Ca 0.02 -2.25 -0.20 0.00 -0.77 0.00 0.00 57.85 54.65 1vle n ARG 192 Cb 0.21 -1.42 0.01 0.00 -1.02 0.00 0.00 32.46 30.24 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 -0.14 -1.97 0.00 0.55 4.77 -0.31 -2.05 117.00 117.84 1vle n LEU 193 Ca 0.13 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1vle n LEU 193 Cb 0.56 -2.64 0.00 0.00 -2.33 0.00 0.00 43.42 39.00 1vle n LEU 193 CO 0.08 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1vle n GLY 194 N -1.18 2.27 3.85 -0.72 0.00 -0.34 -2.60 105.19 106.48 1vle n GLY 194 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.52 6.55 0.36 1.61 0.01 -0.87 -4.71 114.94 116.36 1vle s ASN 195 Ca 0.00 1.44 -0.07 0.00 -0.71 0.00 0.00 52.86 53.52 1vle s ASN 195 Cb 0.00 -2.46 -0.05 0.00 0.41 0.00 0.00 41.25 39.15 1vle s ASN 195 CO 0.00 -0.58 0.66 -2.16 -1.51 0.00 0.00 177.10 173.52 1vle s PRO 196 N -4.16 3.67 0.89 -0.60 0.04 -1.26 -4.68 135.00 128.90 1vle s PRO 196 Ca 0.56 0.19 -0.12 0.00 0.04 0.00 0.00 61.00 61.68 1vle s PRO 196 Cb -0.10 -2.52 0.12 0.00 0.04 0.00 0.00 34.50 32.04 1vle s PRO 196 CO 0.34 0.07 1.09 -1.83 0.04 0.00 0.00 177.00 176.71 1vle s GLU 197 N -3.83 1.34 -0.00 4.56 -1.05 -1.26 -4.91 118.70 113.55 1vle s GLU 197 Ca 0.47 0.81 0.00 0.00 -0.15 0.00 0.00 54.97 56.10 1vle s GLU 197 Cb -0.10 -1.82 0.00 0.00 -0.44 0.00 0.00 34.13 31.77 1vle s GLU 197 CO 0.32 -2.18 0.73 1.04 0.95 0.00 0.00 175.26 176.12 1vle n GLN 198 N -3.84 0.00 -1.59 -4.83 1.13 -1.26 -4.84 117.38 102.15 1vle n GLN 198 Ca 0.07 -0.73 -0.45 0.00 -1.94 0.00 0.00 57.00 53.95 1vle n GLN 198 Cb 0.55 -0.50 -0.02 0.00 0.11 0.00 0.00 30.24 30.38 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 1.35 -2.55 1.08 4.02 -1.26 -2.97 117.16 116.82 1vle n TYR 199 Ca 0.00 0.68 -0.08 0.00 -0.01 0.00 0.00 57.90 58.49 1vle n TYR 199 Cb 0.59 -2.27 -0.00 0.00 -0.02 0.00 0.00 39.34 37.63 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 1.43 -2.53 0.09 7.72 10.43 -1.25 -1.43 116.55 131.01 1vle n ASP 200 Ca 0.11 0.28 -0.04 0.00 2.57 0.00 0.00 54.79 57.70 1vle n ASP 200 Cb 0.31 -2.22 -0.04 0.00 1.84 0.00 0.00 41.12 41.01 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 -0.07 0.00 0.01 0.64 3.38 -1.40 -3.31 115.31 114.55 1vle h LEU 201 Ca -0.17 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1vle h LEU 201 Cb 1.12 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 1vle h LEU 201 CO 0.21 0.86 -0.27 0.25 0.09 0.00 0.00 178.44 179.57 1vle h LEU 202 N 0.00 -0.80 -1.31 1.67 5.85 -1.41 0.14 115.31 119.46 1vle h LEU 202 Ca -0.01 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1vle h LEU 202 Cb 1.58 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 42.90 1vle h LEU 202 CO 0.11 -0.34 0.35 -0.08 -0.34 0.00 0.00 178.44 178.14 1vle h GLU 203 N -0.42 0.82 0.04 1.25 4.81 -1.76 -0.99 114.58 118.34 1vle h GLU 203 Ca 0.06 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1vle h GLU 203 Cb 0.50 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1vle h GLU 203 CO -0.23 0.59 -0.02 0.22 -0.73 0.00 0.00 179.01 178.84 1vle h ASP 204 N 0.84 -0.05 -0.22 1.04 -0.00 -1.40 -2.19 116.42 114.44 1vle h ASP 204 Ca 0.22 -0.06 0.01 0.00 -0.00 0.00 0.00 57.03 57.19 1vle h ASP 204 Cb -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.32 1vle h ASP 204 CO -0.04 0.03 0.14 1.23 -0.00 0.00 0.00 179.24 180.59 1vle h GLY 205 N -0.12 0.30 0.69 -0.78 0.00 -0.30 -0.64 103.07 102.22 1vle h GLY 205 Ca -0.01 -0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.31 1vle h GLY 205 CO 0.01 0.10 0.59 1.41 0.00 0.00 0.00 176.54 178.65 1vle h LEU 206 N 0.28 0.85 0.12 3.11 3.38 -1.10 0.24 115.31 122.19 1vle h LEU 206 Ca 0.08 0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.80 1vle h LEU 206 Cb -0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1vle h LEU 206 CO -0.03 0.50 -1.28 0.11 0.09 0.00 0.00 178.44 177.84 1vle h LYS 207 N 0.94 0.25 0.00 1.13 1.57 -1.09 -3.43 116.57 115.95 1vle h LYS 207 Ca 0.43 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vle h LYS 207 Cb 0.38 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1vle h LYS 207 CO -0.19 1.18 -0.93 0.72 -0.57 0.00 0.00 179.45 179.66 1vle n HIS 208 N -3.50 0.00 -1.69 -1.35 8.25 -0.27 -4.83 115.22 111.82 1vle n HIS 208 Ca -0.09 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.93 1vle n HIS 208 Cb 1.02 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 32.08 1vle n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vle n ALA 209 N -1.48 1.66 0.00 -1.41 0.00 0.82 -4.67 120.51 115.43 1vle n ALA 209 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1vle n ALA 209 Cb 0.03 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1vle n ALA 209 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vle n GLU 210 N 2.37 2.80 -3.65 0.00 1.02 -0.10 -4.79 120.64 118.28 1vle n GLU 210 Ca 0.12 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 1vle n GLU 210 Cb 0.33 -1.00 -0.08 0.00 -0.02 0.00 0.00 31.44 30.67 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 -2.00 0.81 -0.08 3.49 0.00 -0.96 -2.18 119.30 118.38 1vle s MET 211 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 55.69 55.89 1vle s MET 211 Cb 0.00 0.38 0.02 0.00 0.00 0.00 0.00 34.83 35.23 1vle s MET 211 CO 0.00 -0.21 -0.08 0.42 0.00 0.00 0.00 175.02 175.14 1vle s ILE 212 N -0.91 0.93 -0.51 10.11 1.01 -0.16 -1.77 121.20 129.89 1vle s ILE 212 Ca -0.10 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 1vle s ILE 212 Cb -0.03 -0.92 0.12 0.00 0.01 0.00 0.00 42.46 41.64 1vle s ILE 212 CO 0.06 0.33 0.45 -0.69 0.00 0.00 0.00 174.94 175.09 1vle s VAL 213 N 1.21 5.04 -0.78 2.92 1.01 -0.68 -1.79 120.40 127.34 1vle s VAL 213 Ca -0.05 -1.46 -0.25 0.00 0.00 0.00 0.00 61.98 60.22 1vle s VAL 213 Cb -0.14 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.09 1vle s VAL 213 CO -0.02 -0.79 1.23 -0.36 0.00 0.00 0.00 175.10 175.16 1vle s PHE 214 N 1.57 2.45 -0.33 5.22 0.08 0.77 -0.12 117.98 127.61 1vle s PHE 214 Ca 0.04 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.62 1vle s PHE 214 Cb -0.28 -4.55 -0.00 0.00 -0.57 0.00 0.00 43.02 37.61 1vle s PHE 214 CO 0.03 -1.93 0.18 -0.46 -0.10 0.00 0.00 175.22 172.94 1vle s TRP 215 N 5.10 3.20 -1.45 0.36 -0.11 0.28 -1.09 118.94 125.22 1vle s TRP 215 Ca 0.34 -0.54 -0.10 0.00 1.22 0.00 0.00 56.10 57.01 1vle s TRP 215 Cb -0.09 -2.40 0.05 0.00 -1.50 0.00 0.00 33.47 29.54 1vle s TRP 215 CO 0.09 -0.46 1.00 0.45 -4.62 0.00 0.00 176.95 173.40 1vle n SER 216 N 5.02 -4.65 -3.88 5.86 2.88 -0.22 -1.56 113.62 117.07 1vle n SER 216 Ca -0.13 -0.72 -0.27 0.00 -1.33 0.00 0.00 58.87 56.42 1vle n SER 216 Cb 0.49 -4.23 -0.17 0.00 -0.75 0.00 0.00 64.21 59.55 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 -3.48 2.30 -0.57 -3.46 0.15 -1.26 -3.32 113.70 104.06 1vle s SER 217 Ca 0.54 -0.39 0.06 0.00 0.70 0.00 0.00 55.95 56.87 1vle s SER 217 Cb -0.26 -0.81 0.23 0.00 -1.71 0.00 0.00 66.02 63.47 1vle s SER 217 CO 0.80 -0.15 0.62 -0.67 1.20 0.00 0.00 173.24 175.04 1vle n ASP 218 N 4.95 2.41 -0.30 5.45 -0.08 -1.26 -4.86 116.55 122.86 1vle n ASP 218 Ca -0.12 -3.14 0.10 0.00 -1.51 0.00 0.00 54.79 50.13 1vle n ASP 218 Cb 0.49 -0.67 0.26 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 4.43 0.45 -0.17 -0.67 0.11 -1.91 -1.80 132.00 132.44 1vle h PRO 219 Ca 0.16 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.28 1vle h PRO 219 Cb 0.75 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.73 1vle h PRO 219 CO 0.69 0.30 -0.03 0.93 -0.21 0.00 0.00 178.00 179.67 1vle h GLU 220 N 0.46 0.02 0.16 1.05 4.39 -1.93 0.98 114.58 119.70 1vle h GLU 220 Ca 0.51 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.20 1vle h GLU 220 Cb 0.88 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1vle h GLU 220 CO -0.47 0.01 -0.08 1.15 -1.16 0.00 0.00 179.01 178.46 1vle h THR 221 N 0.02 0.96 0.00 1.13 2.02 -1.78 -3.35 112.91 111.90 1vle h THR 221 Ca 0.08 -0.74 -0.19 0.00 0.77 0.00 0.00 66.41 66.33 1vle h THR 221 Cb 0.12 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1vle h THR 221 CO -0.17 0.17 -1.19 0.78 0.37 0.00 0.00 175.52 175.48 1vle h ASN 222 N -0.59 0.00 -0.61 4.18 2.35 -1.34 -3.48 115.58 116.10 1vle h ASN 222 Ca -0.02 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.56 1vle h ASN 222 Cb 0.44 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.75 1vle h ASN 222 CO 0.04 0.75 -0.15 -1.54 -1.65 0.00 0.00 177.43 174.87 1vle n SER 223 N -3.09 -4.46 0.00 5.81 3.41 0.34 -2.38 113.62 113.24 1vle n SER 223 Ca -0.07 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1vle n SER 223 Cb 0.89 -3.35 0.00 0.00 -0.26 0.00 0.00 64.21 61.49 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 0.24 2.15 0.00 5.00 0.00 -1.25 -4.43 105.19 106.91 1vle n GLY 224 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1vle n GLY 224 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1vle n ILE 225 N 0.00 0.00 -1.00 -0.61 3.06 -1.00 -4.72 119.36 115.10 1vle n ILE 225 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1vle n ILE 225 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1vle n ILE 225 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1vle n TYR 226 N -0.01 0.00 -1.57 9.51 0.53 -1.25 -4.86 117.16 119.51 1vle n TYR 226 Ca 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 57.90 56.71 1vle n TYR 226 Cb 0.00 -1.51 0.13 0.00 -1.03 0.00 0.00 39.34 36.93 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 1.00 5.00 0.00 -0.72 0.00 -1.26 -3.85 120.51 120.67 1vle n ALA 227 Ca 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.07 1vle n ALA 227 Cb 0.37 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.98 1.96 2.28 0.00 0.00 -1.26 -1.43 105.19 105.76 1vle n GLY 228 Ca 0.44 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.73 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 9.06 2.03 -0.33 1.61 3.01 -1.26 -4.62 117.46 126.95 1vle n PHE 229 Ca 0.00 -2.13 0.05 0.00 1.01 0.00 0.00 57.45 56.39 1vle n PHE 229 Cb 0.00 -0.29 0.24 0.00 -0.01 0.00 0.00 39.48 39.42 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 2.28 0.99 -0.05 -1.08 4.39 -1.56 -2.85 114.58 116.70 1vle h GLU 230 Ca 0.15 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1vle h GLU 230 Cb 1.43 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1vle h GLU 230 CO 0.50 0.66 0.00 -1.13 -1.16 0.00 0.00 179.01 177.87 1vle n SER 231 N -4.54 0.92 -0.08 1.42 3.41 -1.26 -4.38 113.62 109.11 1vle n SER 231 Ca 0.16 -1.42 -0.07 0.00 -0.26 0.00 0.00 58.87 57.29 1vle n SER 231 Cb 0.27 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 1.34 -0.06 0.45 4.04 -0.73 -1.89 -2.09 115.58 116.63 1vle h ASN 232 Ca 0.00 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.20 1vle h ASN 232 Cb 0.29 0.10 -0.00 0.00 0.27 0.00 0.00 38.32 38.97 1vle h ASN 232 CO 0.00 0.00 -0.13 -0.29 -0.37 0.00 0.00 177.43 176.65 1vle h ILE 233 N 0.13 0.53 -0.28 2.57 2.10 -1.83 -2.56 117.51 118.16 1vle h ILE 233 Ca 0.15 -0.59 -0.06 0.00 1.08 0.00 0.00 64.86 65.44 1vle h ILE 233 Cb 0.18 1.39 -0.01 0.00 -1.09 0.00 0.00 36.82 37.30 1vle h ILE 233 CO -0.22 0.12 -0.06 0.03 -1.08 0.00 0.00 178.15 176.94 1vle h ARG 234 N 0.00 0.54 0.00 2.19 3.08 -1.66 0.26 114.38 118.79 1vle h ARG 234 Ca -0.00 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 1vle h ARG 234 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1vle h ARG 234 CO 0.02 0.74 -0.26 0.00 -1.07 0.00 0.00 179.97 179.39 1vle h ARG 235 N 0.30 0.00 -0.21 0.04 3.08 -1.38 -1.73 114.38 114.48 1vle h ARG 235 Ca 0.07 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1vle h ARG 235 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1vle h ARG 235 CO 0.03 0.26 -0.09 0.37 -1.07 0.00 0.00 179.97 179.47 1vle h GLN 236 N 0.00 0.43 0.09 0.04 5.75 -1.04 0.14 115.11 120.52 1vle h GLN 236 Ca -0.00 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1vle h GLN 236 Cb 0.71 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1vle h GLN 236 CO 0.03 0.70 -0.12 -1.49 -2.65 0.00 0.00 178.83 175.31 1vle h TRP 237 N 0.14 -0.30 -0.47 3.99 6.55 -0.50 0.99 115.95 126.36 1vle h TRP 237 Ca 0.05 0.00 0.04 0.00 0.95 0.00 0.00 58.89 59.93 1vle h TRP 237 Cb 0.57 0.12 -0.04 0.00 -0.86 0.00 0.00 29.16 28.95 1vle h TRP 237 CO 0.06 -0.18 0.24 -0.07 -1.05 0.00 0.00 178.44 177.44 1vle h LEU 238 N -0.25 0.36 -0.72 -4.49 3.38 -1.28 -0.98 115.31 111.34 1vle h LEU 238 Ca 0.01 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1vle h LEU 238 Cb 0.25 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1vle h LEU 238 CO -0.05 0.25 0.41 0.50 0.09 0.00 0.00 178.44 179.65 1vle h LYS 239 N 0.48 0.74 0.00 1.13 3.64 -0.29 -0.42 116.57 121.85 1vle h LYS 239 Ca 0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1vle h LYS 239 Cb 0.09 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1vle h LYS 239 CO -0.13 0.49 0.00 -0.25 -2.27 0.00 0.00 179.45 177.29 1vle n ASP 240 N -4.74 0.18 -0.35 4.20 8.00 0.31 -2.01 116.55 122.14 1vle n ASP 240 Ca 0.09 0.53 0.13 0.00 0.71 0.00 0.00 54.79 56.26 1vle n ASP 240 Cb 0.17 -0.57 0.44 0.00 -0.02 0.00 0.00 41.12 41.14 1vle n ASP 240 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1vle n LEU 241 N -1.69 1.23 0.00 0.64 4.77 -0.23 -4.93 117.00 116.80 1vle n LEU 241 Ca 0.05 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1vle n LEU 241 Cb 0.28 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1vle n LEU 241 CO 0.22 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1vle n GLY 242 N 1.27 0.80 3.70 -0.72 0.00 -0.85 -5.05 105.19 104.33 1vle n GLY 242 Ca 0.15 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 4.16 0.21 1.61 1.01 -0.82 -4.96 120.40 119.61 1vle s VAL 243 Ca 0.00 1.52 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 1vle s VAL 243 Cb 0.00 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 1vle s VAL 243 CO 0.00 0.06 0.92 -1.81 0.00 0.00 0.00 175.10 174.27 1vle s ASP 244 N 1.29 7.59 -0.19 3.32 1.01 -0.93 -4.56 116.67 124.21 1vle s ASP 244 Ca 0.57 1.88 -0.02 0.00 0.71 0.00 0.00 52.55 55.70 1vle s ASP 244 Cb -0.27 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.07 1vle s ASP 244 CO 0.26 0.13 -0.10 -0.36 0.21 0.00 0.00 175.17 175.31 1vle s PHE 245 N -0.99 2.88 -0.11 4.23 2.99 -1.26 -0.99 117.98 124.73 1vle s PHE 245 Ca 0.41 -1.00 0.03 0.00 0.00 0.00 0.00 56.93 56.38 1vle s PHE 245 Cb -0.25 -1.99 -0.00 0.00 0.00 0.00 0.00 43.02 40.77 1vle s PHE 245 CO 0.31 -0.50 -0.22 0.08 -0.00 0.00 0.00 175.22 174.89 1vle s VAL 246 N 1.12 2.26 -0.19 -0.44 1.01 -0.74 -0.72 120.40 122.70 1vle s VAL 246 Ca 0.01 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1vle s VAL 246 Cb -0.14 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1vle s VAL 246 CO -0.03 0.55 -0.09 -0.36 0.00 0.00 0.00 175.10 175.18 1vle s PHE 247 N 0.34 2.89 -0.36 5.22 0.40 0.49 -0.17 117.98 126.79 1vle s PHE 247 Ca -0.17 -0.93 -0.04 0.00 -0.60 0.00 0.00 56.93 55.19 1vle s PHE 247 Cb -0.18 -2.00 0.08 0.00 0.51 0.00 0.00 43.02 41.43 1vle s PHE 247 CO 0.08 -0.47 0.13 0.42 0.70 0.00 0.00 175.22 176.08 1vle s ILE 248 N 1.08 3.36 -0.28 0.64 1.01 -0.25 0.07 121.20 126.83 1vle s ILE 248 Ca 0.00 -1.63 -0.20 0.00 0.00 0.00 0.00 60.65 58.82 1vle s ILE 248 Cb -0.15 -3.10 0.09 0.00 0.01 0.00 0.00 42.46 39.31 1vle s ILE 248 CO -0.02 -0.41 0.77 -0.62 0.00 0.00 0.00 174.94 174.66 1vle s ASP 249 N 1.61 -0.78 0.44 3.58 -1.08 -0.59 -1.05 116.67 118.80 1vle s ASP 249 Ca 0.02 1.35 0.16 0.00 -0.52 0.00 0.00 52.55 53.56 1vle s ASP 249 Cb -0.21 1.35 1.07 0.00 -1.46 0.00 0.00 42.92 43.67 1vle s ASP 249 CO -0.01 -0.22 1.96 -0.65 0.52 0.00 0.00 175.17 176.76 1vle h PRO 250 N 5.89 0.36 -5.39 4.34 0.11 -1.77 -3.34 132.00 132.19 1vle h PRO 250 Ca -0.29 -0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.15 1vle h PRO 250 Cb 1.20 -0.08 -0.22 0.00 0.11 0.00 0.00 31.00 32.01 1vle h PRO 250 CO 0.12 0.24 -0.68 -1.58 -0.21 0.00 0.00 178.00 175.88 1vle s HIS 251 N -5.36 2.99 -0.84 0.65 5.65 -1.26 -3.95 115.29 113.17 1vle s HIS 251 Ca -0.07 -0.31 -0.25 0.00 0.25 0.00 0.00 55.06 54.68 1vle s HIS 251 Cb 0.20 -1.92 -0.04 0.00 -1.18 0.00 0.00 32.58 29.64 1vle s HIS 251 CO 0.75 -0.01 1.94 1.41 -0.65 0.00 0.00 174.74 178.18 1vle s MET 252 N 0.22 2.55 1.21 2.88 1.75 -0.58 -4.92 119.30 122.42 1vle s MET 252 Ca -0.03 -0.08 -0.17 0.00 -1.25 0.00 0.00 55.69 54.16 1vle s MET 252 Cb -0.14 -4.91 0.29 0.00 2.84 0.00 0.00 34.83 32.91 1vle s MET 252 CO 0.03 -3.26 1.03 0.54 -0.65 0.00 0.00 175.02 172.71 1vle s ASN 253 N 8.11 0.72 0.47 1.11 2.20 -1.26 -4.62 114.94 121.67 1vle s ASN 253 Ca 0.70 1.08 0.19 0.00 -0.94 0.00 0.00 52.86 53.89 1vle s ASN 253 Cb -0.08 -1.64 1.15 0.00 -2.00 0.00 0.00 41.25 38.68 1vle s ASN 253 CO 0.04 -4.30 2.01 0.45 -2.94 0.00 0.00 177.10 172.37 1vle h HIS 254 N -2.69 0.00 -0.13 1.54 3.86 -1.94 0.83 115.15 116.62 1vle h HIS 254 Ca -0.53 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 58.51 1vle h HIS 254 Cb 1.33 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.81 1vle h HIS 254 CO -1.09 0.17 -0.59 1.15 0.86 0.00 0.00 177.93 178.42 1vle h THR 255 N 0.00 1.33 -0.56 2.45 2.02 -1.90 -2.95 112.91 113.30 1vle h THR 255 Ca -0.00 -1.86 -0.07 0.00 0.77 0.00 0.00 66.41 65.25 1vle h THR 255 Cb 0.34 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1vle h THR 255 CO 0.02 0.57 0.07 0.00 0.37 0.00 0.00 175.52 176.55 1vle h ALA 256 N 0.51 1.07 0.00 6.16 0.00 -1.74 -0.58 119.26 124.68 1vle h ALA 256 Ca -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1vle h ALA 256 Cb 1.23 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1vle h ALA 256 CO 0.12 0.60 -0.05 0.00 0.00 0.00 0.00 179.25 179.93 1vle h ARG 257 N 0.85 0.00 0.02 0.00 3.08 -0.84 -1.37 114.38 116.12 1vle h ARG 257 Ca 0.17 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.88 1vle h ARG 257 Cb 0.41 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 1vle h ARG 257 CO 0.01 0.05 -1.93 -0.11 -1.07 0.00 0.00 179.97 176.92 1vle n LEU 258 N -3.28 2.15 -0.15 3.04 7.94 -0.74 -4.79 117.00 121.17 1vle n LEU 258 Ca -0.01 0.29 0.03 0.00 -1.11 0.00 0.00 56.01 55.22 1vle n LEU 258 Cb 0.22 -0.94 0.05 0.00 0.53 0.00 0.00 43.42 43.27 1vle n LEU 258 CO 0.26 0.55 0.41 1.33 -1.11 0.00 0.00 177.39 178.83 1vle n VAL 259 N -4.08 0.86 -2.02 1.96 0.24 -0.30 -5.09 118.33 109.90 1vle n VAL 259 Ca -0.41 -0.99 -0.39 0.00 -2.04 0.00 0.00 64.34 60.51 1vle n VAL 259 Cb 0.84 0.34 -0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 -1.19 3.24 -0.07 2.33 0.00 -0.52 -4.67 121.76 120.88 1vle s ALA 260 Ca 0.11 1.26 0.14 0.00 0.00 0.00 0.00 51.96 53.46 1vle s ALA 260 Cb 0.09 -3.50 -0.20 0.00 0.00 0.00 0.00 23.12 19.51 1vle s ALA 260 CO 0.01 -0.88 0.20 -0.25 0.00 0.00 0.00 175.76 174.84 1vle n ASP 261 N 0.05 1.59 -3.62 0.00 10.43 0.10 -4.98 116.55 120.12 1vle n ASP 261 Ca 0.04 0.00 -0.13 0.00 2.57 0.00 0.00 54.79 57.27 1vle n ASP 261 Cb 0.43 1.29 -0.07 0.00 1.84 0.00 0.00 41.12 44.62 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 -2.71 0.77 -0.06 -1.24 2.47 -1.14 -5.02 119.74 112.81 1vle s LYS 262 Ca -0.06 0.82 0.02 0.00 -1.56 0.00 0.00 55.97 55.19 1vle s LYS 262 Cb 0.07 0.37 0.01 0.00 -1.46 0.00 0.00 37.83 36.82 1vle s LYS 262 CO 0.60 -0.11 -0.12 -0.46 0.16 0.00 0.00 175.35 175.42 1vle s TRP 263 N 0.18 1.35 -0.04 4.03 -0.00 -1.26 -0.38 118.94 122.82 1vle s TRP 263 Ca -0.00 -0.46 0.02 0.00 -0.00 0.00 0.00 56.10 55.65 1vle s TRP 263 Cb -0.04 -0.99 -0.03 0.00 -0.00 0.00 0.00 33.47 32.41 1vle s TRP 263 CO -0.00 -0.23 -0.06 -0.06 -0.00 0.00 0.00 176.95 176.59 1vle s PHE 264 N 0.56 2.93 -0.60 5.86 0.40 0.11 -4.98 117.98 122.27 1vle s PHE 264 Ca -0.12 0.01 0.05 0.00 -0.60 0.00 0.00 56.93 56.27 1vle s PHE 264 Cb -0.14 -1.67 0.18 0.00 0.51 0.00 0.00 43.02 41.90 1vle s PHE 264 CO 0.03 0.36 0.49 0.45 0.70 0.00 0.00 175.22 177.24 1vle n SER 265 N 1.93 2.00 -4.78 1.36 2.88 -1.25 -1.54 113.62 114.22 1vle n SER 265 Ca -0.17 -2.98 -0.35 0.00 -1.33 0.00 0.00 58.87 54.04 1vle n SER 265 Cb 0.53 -0.69 -0.01 0.00 -0.75 0.00 0.00 64.21 63.29 1vle n SER 265 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1vle s PRO 266 N -1.16 3.60 0.89 -1.46 0.04 -1.26 -4.64 135.00 131.01 1vle s PRO 266 Ca 0.29 1.54 -0.10 0.00 0.04 0.00 0.00 61.00 62.77 1vle s PRO 266 Cb 0.02 -2.11 0.13 0.00 0.04 0.00 0.00 34.50 32.57 1vle s PRO 266 CO -0.16 -0.63 1.14 0.15 0.04 0.00 0.00 177.00 177.54 1vle s LYS 267 N -3.15 1.24 0.46 4.56 1.02 -0.56 -4.20 119.74 119.11 1vle s LYS 267 Ca 0.69 1.50 -0.25 0.00 0.02 0.00 0.00 55.97 57.93 1vle s LYS 267 Cb -0.22 -1.76 -0.08 0.00 -0.52 0.00 0.00 37.83 35.25 1vle s LYS 267 CO 0.25 -2.46 1.32 0.44 -0.92 0.00 0.00 175.35 173.99 1vle n ILE 268 N -4.08 2.86 -2.06 2.17 -5.35 -1.26 -2.76 119.36 108.88 1vle n ILE 268 Ca 0.11 -0.50 -0.19 0.00 -0.27 0.00 0.00 62.75 61.90 1vle n ILE 268 Cb 0.52 -1.65 -0.04 0.00 -1.74 0.00 0.00 39.64 36.73 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 0.75 0.44 0.00 3.28 0.00 -1.26 -4.62 105.19 103.78 1vle n GLY 269 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.42 0.67 -0.25 2.61 -2.24 -1.11 -4.36 114.28 106.17 1vle n THR 270 Ca -0.21 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 1vle n THR 270 Cb 0.66 0.68 0.12 0.00 -2.10 0.00 0.00 70.33 69.69 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 0.55 0.15 3.42 5.19 -1.90 -1.11 116.42 122.72 1vle h ASP 271 Ca 0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1vle h ASP 271 Cb 0.37 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1vle h ASP 271 CO 0.00 0.34 0.00 0.00 -3.12 0.00 0.00 179.24 176.46 1vle n HIS 272 N -4.80 0.76 -0.07 4.55 1.44 -1.26 -0.35 115.22 115.49 1vle n HIS 272 Ca 0.10 0.38 -0.11 0.00 -2.01 0.00 0.00 57.72 56.08 1vle n HIS 272 Cb 0.22 -1.10 0.03 0.00 0.12 0.00 0.00 29.99 29.26 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 2.05 0.68 -0.19 1.59 0.00 -1.56 -1.95 119.26 119.87 1vle h ALA 273 Ca 0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.25 1vle h ALA 273 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1vle h ALA 273 CO 0.00 0.67 -0.68 -0.07 0.00 0.00 0.00 179.25 179.17 1vle h LEU 274 N 0.63 0.88 -0.78 0.00 3.38 -0.76 -2.35 115.31 116.31 1vle h LEU 274 Ca 0.05 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 1vle h LEU 274 Cb 0.97 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1vle h LEU 274 CO 0.09 1.32 0.00 0.77 0.09 0.00 0.00 178.44 180.72 1vle h SER 275 N 0.55 0.90 -0.50 -0.43 4.64 -1.39 0.22 113.55 117.54 1vle h SER 275 Ca -0.02 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 60.98 1vle h SER 275 Cb 1.29 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 1vle h SER 275 CO 0.14 0.95 -0.01 -0.26 -0.87 0.00 0.00 176.83 176.78 1vle h PHE 276 N 0.86 0.97 -0.30 4.77 -1.00 -1.36 0.24 116.94 121.11 1vle h PHE 276 Ca 0.16 -0.17 -0.08 0.00 2.81 0.00 0.00 57.97 60.69 1vle h PHE 276 Cb 0.50 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.79 1vle h PHE 276 CO 0.03 0.91 -0.14 0.00 -1.61 0.00 0.00 178.31 177.50 1vle h ALA 277 N 0.93 1.20 -0.19 2.45 0.00 -1.14 0.40 119.26 122.92 1vle h ALA 277 Ca 0.14 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1vle h ALA 277 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1vle h ALA 277 CO 0.03 0.52 -0.34 0.82 0.00 0.00 0.00 179.25 180.27 1vle h ILE 278 N 0.48 1.34 -0.59 0.00 2.04 -0.72 -1.51 117.51 118.55 1vle h ILE 278 Ca 0.09 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.36 1vle h ILE 278 Cb 0.53 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1vle h ILE 278 CO 0.03 0.48 0.28 0.00 0.00 0.00 0.00 178.15 178.95 1vle h ALA 279 N 0.60 0.77 -0.17 1.87 0.00 -0.62 -1.42 119.26 120.28 1vle h ALA 279 Ca 0.01 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1vle h ALA 279 Cb 0.93 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1vle h ALA 279 CO 0.08 0.33 -0.19 -0.92 0.00 0.00 0.00 179.25 178.55 1vle h TYR 280 N 0.81 -0.49 -0.77 0.00 3.20 -0.10 0.99 116.97 120.61 1vle h TYR 280 Ca 0.20 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.19 1vle h TYR 280 Cb 0.12 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.57 1vle h TYR 280 CO -0.00 -0.26 0.42 1.15 -1.64 0.00 0.00 178.16 177.83 1vle h THR 281 N -0.22 0.90 -0.59 1.81 2.02 -0.89 0.78 112.91 116.73 1vle h THR 281 Ca 0.11 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 1vle h THR 281 Cb 0.38 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1vle h THR 281 CO -0.30 0.13 -0.01 -0.50 0.37 0.00 0.00 175.52 175.21 1vle h TRP 282 N 0.71 1.13 -0.28 3.16 6.55 -0.17 -1.09 115.95 125.97 1vle h TRP 282 Ca 0.37 -0.20 -0.06 0.00 0.95 0.00 0.00 58.89 59.95 1vle h TRP 282 Cb 0.34 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.34 1vle h TRP 282 CO -0.08 1.01 -0.06 -0.07 -1.05 0.00 0.00 178.44 178.19 1vle h LEU 283 N 0.95 0.53 -1.36 -4.49 3.38 -0.17 0.11 115.31 114.25 1vle h LEU 283 Ca 0.17 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1vle h LEU 283 Cb 0.56 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1vle h LEU 283 CO 0.03 0.76 -0.04 0.11 0.09 0.00 0.00 178.44 179.40 1vle h LYS 284 N 0.28 0.38 -0.40 1.13 1.79 -0.73 -3.04 116.57 115.97 1vle h LYS 284 Ca 0.07 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1vle h LYS 284 Cb 0.53 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1vle h LYS 284 CO 0.03 0.44 0.00 0.39 -1.08 0.00 0.00 179.45 179.22 1vle n GLU 285 N -4.30 2.91 -2.33 3.15 1.02 -0.43 -4.96 120.64 115.71 1vle n GLU 285 Ca 0.00 -2.26 -0.13 0.00 -0.02 0.00 0.00 57.16 54.75 1vle n GLU 285 Cb 0.24 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.24 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 0.57 -4.10 -3.88 1.62 9.92 0.21 -4.88 116.55 116.01 1vle n ASP 286 Ca 0.15 0.18 -0.42 0.00 -0.53 0.00 0.00 54.79 54.17 1vle n ASP 286 Cb 0.53 -3.51 0.01 0.00 -0.64 0.00 0.00 41.12 37.51 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 -1.69 6.01 -3.72 -2.24 3.41 -0.30 -4.92 113.62 110.17 1vle n SER 287 Ca -0.16 -3.28 -0.07 0.00 -0.26 0.00 0.00 58.87 55.10 1vle n SER 287 Cb 0.60 -1.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.17 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 -1.41 -0.25 -1.06 7.33 1.13 -1.26 -4.77 117.35 117.05 1vle s TYR 288 Ca 0.37 -0.09 -0.22 0.00 -1.41 0.00 0.00 57.07 55.71 1vle s TYR 288 Cb 0.09 0.65 0.02 0.00 -1.10 0.00 0.00 41.96 41.61 1vle s TYR 288 CO 0.04 -0.99 1.67 0.34 -2.51 0.00 0.00 175.55 174.10 1vle s ASP 289 N -2.85 6.10 0.29 -0.18 -1.08 -0.19 -4.83 116.67 113.92 1vle s ASP 289 Ca 0.09 -1.49 -0.00 0.00 -0.52 0.00 0.00 52.55 50.63 1vle s ASP 289 Cb -0.03 -2.57 0.43 0.00 -1.46 0.00 0.00 42.92 39.29 1vle s ASP 289 CO 0.01 -1.90 1.84 0.11 0.52 0.00 0.00 175.17 175.75 1vle h LYS 290 N 9.70 0.79 -0.15 4.34 1.57 -1.94 -1.72 116.57 129.17 1vle h LYS 290 Ca 0.23 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1vle h LYS 290 Cb 0.97 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1vle h LYS 290 CO 1.36 0.72 0.05 0.93 -0.57 0.00 0.00 179.45 181.94 1vle h GLU 291 N 0.77 0.24 -0.03 3.15 3.07 -1.98 0.28 114.58 120.07 1vle h GLU 291 Ca 0.17 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1vle h GLU 291 Cb 0.28 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1vle h GLU 291 CO -0.00 0.36 -0.08 -0.92 -1.40 0.00 0.00 179.01 176.97 1vle h TYR 292 N 0.07 -0.21 -0.60 4.33 3.20 -1.92 -1.39 116.97 120.45 1vle h TYR 292 Ca 0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1vle h TYR 292 Cb 0.23 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1vle h TYR 292 CO -0.00 -0.13 0.35 0.28 -1.64 0.00 0.00 178.16 177.02 1vle h VAL 293 N -0.13 1.18 -0.44 1.81 2.07 -1.22 0.61 116.25 120.13 1vle h VAL 293 Ca 0.04 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1vle h VAL 293 Cb 0.19 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1vle h VAL 293 CO -0.11 0.19 0.23 0.00 0.02 0.00 0.00 177.57 177.90 1vle h ALA 294 N 1.18 1.58 0.11 1.67 0.00 -0.69 -1.44 119.26 121.67 1vle h ALA 294 Ca 0.21 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.71 1vle h ALA 294 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1vle h ALA 294 CO -0.04 0.35 -1.78 0.00 0.00 0.00 0.00 179.25 177.77 1vle h ALA 295 N 1.65 0.42 -0.29 0.00 0.00 -0.64 -3.41 119.26 116.99 1vle h ALA 295 Ca 0.16 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1vle h ALA 295 Cb 0.03 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1vle h ALA 295 CO -0.03 1.28 0.00 0.09 0.00 0.00 0.00 179.25 180.59 1vle n ASN 296 N -3.41 3.28 -4.33 0.00 3.02 0.21 -5.01 115.26 109.01 1vle n ASN 296 Ca -0.24 -2.43 -0.25 0.00 -0.03 0.00 0.00 54.58 51.63 1vle n ASN 296 Cb 1.05 -0.35 -0.12 0.00 -0.61 0.00 0.00 39.78 39.75 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 -1.77 2.04 -0.05 5.41 0.00 -0.55 -1.23 121.76 125.60 1vle s ALA 297 Ca 0.30 -1.39 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1vle s ALA 297 Cb 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 1vle s ALA 297 CO 0.12 0.37 -0.18 -1.58 0.00 0.00 0.00 175.76 174.49 1vle s HIS 298 N -1.42 1.79 -0.29 0.00 2.46 0.25 -4.70 115.29 113.37 1vle s HIS 298 Ca 0.12 -0.55 0.00 0.00 0.47 0.00 0.00 55.06 55.10 1vle s HIS 298 Cb -0.09 -1.21 0.00 0.00 -0.13 0.00 0.00 32.58 31.15 1vle s HIS 298 CO 0.06 -0.20 0.00 0.41 -2.47 0.00 0.00 174.74 172.54 1vle n GLY 299 N 3.22 0.53 0.34 1.59 0.00 -1.26 -1.50 105.19 108.11 1vle n GLY 299 Ca -0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 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 1.03 -0.40 1.61 3.57 -1.91 -2.29 116.94 118.55 1vle h PHE 300 Ca -0.06 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.46 1vle h PHE 300 Cb 0.46 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1vle h PHE 300 CO 0.25 0.74 0.14 0.93 -2.23 0.00 0.00 178.31 178.14 1vle h GLU 301 N 1.04 0.29 -0.42 1.11 3.07 -1.97 0.21 114.58 117.91 1vle h GLU 301 Ca 0.26 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 59.00 1vle h GLU 301 Cb 0.08 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1vle h GLU 301 CO -0.04 0.19 -0.11 0.93 -1.40 0.00 0.00 179.01 178.58 1vle h GLU 302 N 0.30 0.81 -0.70 2.33 3.07 -1.94 -2.76 114.58 115.69 1vle h GLU 302 Ca 0.18 -0.32 0.02 0.00 -0.50 0.00 0.00 59.36 58.74 1vle h GLU 302 Cb 0.17 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 1vle h GLU 302 CO -0.19 0.94 0.45 2.35 -1.40 0.00 0.00 179.01 181.16 1vle h TRP 303 N 0.63 0.86 -0.77 4.33 7.01 -0.88 -2.20 115.95 124.94 1vle h TRP 303 Ca 0.10 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.17 1vle h TRP 303 Cb 0.65 -0.29 -0.05 0.00 -2.10 0.00 0.00 29.16 27.36 1vle h TRP 303 CO 0.05 0.52 0.48 0.00 -2.79 0.00 0.00 178.44 176.70 1vle h ALA 304 N 1.27 1.04 -0.54 2.65 0.00 -0.49 -0.48 119.26 122.72 1vle h ALA 304 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1vle h ALA 304 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1vle h ALA 304 CO -0.07 0.23 0.31 -0.44 0.00 0.00 0.00 179.25 179.27 1vle h ASP 305 N 0.90 0.65 -0.02 0.00 3.32 -1.12 -1.56 116.42 118.58 1vle h ASP 305 Ca 0.33 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 1vle h ASP 305 Cb 0.11 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1vle h ASP 305 CO -0.15 0.52 0.00 0.22 -1.72 0.00 0.00 179.24 178.11 1vle h TYR 306 N 0.74 0.04 -0.62 4.55 3.20 -0.70 -0.17 116.97 124.01 1vle h TYR 306 Ca 0.19 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.10 1vle h TYR 306 Cb 0.00 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1vle h TYR 306 CO 0.00 0.30 0.41 0.28 -1.64 0.00 0.00 178.16 177.52 1vle h VAL 307 N -0.24 1.05 0.00 1.81 2.07 -0.86 -0.71 116.25 119.37 1vle h VAL 307 Ca 0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1vle h VAL 307 Cb 0.29 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1vle h VAL 307 CO 0.00 0.12 0.00 0.18 0.02 0.00 0.00 177.57 177.89 1vle n LEU 308 N -4.47 0.00 0.00 2.57 4.77 -0.62 -1.67 117.00 117.58 1vle n LEU 308 Ca 0.08 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1vle n LEU 308 Cb 0.18 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1vle n LEU 308 CO 0.34 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1vle n GLY 309 N 1.06 0.70 0.24 -0.72 0.00 -0.27 -4.30 105.19 101.91 1vle n GLY 309 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 2.37 0.00 0.00 1.61 1.57 -1.24 -0.84 116.57 120.04 1vle h LYS 310 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1vle h LYS 310 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1vle h LYS 310 CO 0.00 0.17 -2.29 0.25 -0.57 0.00 0.00 179.45 177.01 1vle n THR 311 N -3.44 1.29 0.01 -0.16 -2.24 -1.25 -4.60 114.28 103.90 1vle n THR 311 Ca -0.01 -0.74 0.04 0.00 -2.27 0.00 0.00 64.05 61.07 1vle n THR 311 Cb 0.35 -0.66 0.08 0.00 -2.10 0.00 0.00 70.33 68.00 1vle n THR 311 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1vle n ASP 312 N -2.78 2.31 0.00 3.42 3.85 -1.24 -4.97 116.55 117.13 1vle n ASP 312 Ca -0.32 -1.79 0.00 0.00 -0.71 0.00 0.00 54.79 51.97 1vle n ASP 312 Cb 1.07 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 40.74 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 0.25 0.38 2.99 6.12 0.00 -0.32 -4.97 105.19 109.64 1vle n GLY 313 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.97 2.29 0.12 2.61 2.01 -1.22 -5.00 115.64 114.47 1vle s THR 314 Ca 0.00 -2.52 -0.31 0.00 0.31 0.00 0.00 61.69 59.17 1vle s THR 314 Cb 0.00 -2.67 -0.09 0.00 0.01 0.00 0.00 72.50 69.75 1vle s THR 314 CO 0.00 -0.65 1.61 -2.84 -0.69 0.00 0.00 174.62 172.05 1vle s PRO 315 N 0.67 4.21 -1.39 4.92 0.02 -1.26 -3.93 135.00 138.24 1vle s PRO 315 Ca 0.12 2.35 -0.09 0.00 0.02 0.00 0.00 61.00 63.40 1vle s PRO 315 Cb -0.20 -3.35 -0.10 0.00 0.02 0.00 0.00 34.50 30.86 1vle s PRO 315 CO -0.07 -0.66 2.89 1.63 -0.33 0.00 0.00 177.00 180.46 1vle n LYS 316 N 4.70 3.32 -1.08 5.54 4.76 -0.67 -4.84 118.16 129.90 1vle n LYS 316 Ca 0.15 -1.99 -0.29 0.00 -2.87 0.00 0.00 58.31 53.31 1vle n LYS 316 Cb 0.39 -2.68 0.18 0.00 -1.84 0.00 0.00 35.03 31.08 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 2.25 2.24 0.27 -0.18 -4.23 -1.26 -3.55 115.64 111.18 1vle s THR 317 Ca 0.65 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 61.29 1vle s THR 317 Cb 0.18 -2.50 -0.00 0.00 1.34 0.00 0.00 72.50 71.52 1vle s THR 317 CO -0.05 -0.10 1.63 0.00 -0.54 0.00 0.00 174.62 175.56 1vle h GLU 319 N 0.18 1.05 -0.31 0.00 3.07 -1.92 0.99 114.58 117.64 1vle h GLU 319 Ca 0.01 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.36 58.62 1vle h GLU 319 Cb 0.96 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1vle h GLU 319 CO 0.08 0.90 0.08 2.35 -1.40 0.00 0.00 179.01 181.02 1vle h TRP 320 N 1.01 0.52 -0.62 4.33 7.01 -1.78 -2.05 115.95 124.37 1vle h TRP 320 Ca 0.22 -0.06 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 1vle h TRP 320 Cb 0.30 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.18 1vle h TRP 320 CO 0.02 0.54 0.22 0.00 -2.79 0.00 0.00 178.44 176.44 1vle h ALA 321 N 0.91 1.22 -0.73 2.65 0.00 -0.78 -1.89 119.26 120.65 1vle h ALA 321 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1vle h ALA 321 Cb 0.28 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1vle h ALA 321 CO 0.00 0.56 0.31 1.49 0.00 0.00 0.00 179.25 181.61 1vle h GLU 322 N 0.90 1.08 -0.38 0.00 4.81 -0.61 0.38 114.58 120.77 1vle h GLU 322 Ca 0.21 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1vle h GLU 322 Cb 0.22 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1vle h GLU 322 CO -0.01 0.88 0.03 1.49 -0.73 0.00 0.00 179.01 180.66 1vle h GLU 323 N 1.05 0.58 0.05 1.92 4.81 -0.79 0.51 114.58 122.70 1vle h GLU 323 Ca 0.25 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1vle h GLU 323 Cb 0.18 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1vle h GLU 323 CO -0.02 0.58 -0.02 0.93 -0.73 0.00 0.00 179.01 179.75 1vle h GLU 324 N 0.56 -0.06 0.00 1.92 4.39 -0.68 -3.40 114.58 117.30 1vle h GLU 324 Ca 0.12 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.67 1vle h GLU 324 Cb 0.31 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1vle h GLU 324 CO 0.01 0.57 -1.51 -1.13 -1.16 0.00 0.00 179.01 175.79 1vle n SER 325 N -4.76 0.70 0.00 1.42 3.41 0.13 -4.77 113.62 109.75 1vle n SER 325 Ca -0.08 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1vle n SER 325 Cb 0.32 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 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 1.39 0.96 3.73 5.00 0.00 0.18 -1.50 105.19 114.94 1vle n GLY 326 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.74 4.98 0.17 1.61 1.01 -1.25 -5.00 120.40 119.17 1vle s VAL 327 Ca 0.00 1.44 -0.34 0.00 0.00 0.00 0.00 61.98 63.09 1vle s VAL 327 Cb 0.00 -4.04 -0.15 0.00 0.00 0.00 0.00 36.38 32.20 1vle s VAL 327 CO 0.00 0.30 1.41 -2.65 0.00 0.00 0.00 175.10 174.15 1vle n PRO 328 N 3.46 1.73 -0.35 2.72 -0.02 -1.26 -3.92 135.00 137.35 1vle n PRO 328 Ca -0.02 0.62 0.03 0.00 -2.02 0.00 0.00 63.50 62.11 1vle n PRO 328 Cb 0.51 -2.28 0.19 0.00 -0.02 0.00 0.00 33.50 31.90 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 4.72 1.43 -0.82 3.55 0.00 -1.93 -2.29 119.26 123.93 1vle h ALA 329 Ca -0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1vle h ALA 329 Cb 1.29 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1vle h ALA 329 CO 0.80 0.42 0.44 0.00 0.00 0.00 0.00 179.25 180.91 1vle h GLU 331 N 1.15 0.42 -0.41 0.00 5.08 -1.81 -1.03 114.58 117.98 1vle h GLU 331 Ca 0.29 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1vle h GLU 331 Cb 0.04 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1vle h GLU 331 CO -0.05 0.90 0.16 0.82 -1.00 0.00 0.00 179.01 179.85 1vle h ILE 332 N 0.31 1.20 -0.55 3.13 2.04 -1.02 -1.46 117.51 121.16 1vle h ILE 332 Ca -0.01 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.13 1vle h ILE 332 Cb 1.15 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1vle h ILE 332 CO 0.11 0.23 -0.07 -0.09 0.00 0.00 0.00 178.15 178.32 1vle h ARG 333 N 0.52 1.00 -0.69 2.37 2.43 -1.24 -0.73 114.38 118.04 1vle h ARG 333 Ca 0.14 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 1vle h ARG 333 Cb 0.20 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1vle h ARG 333 CO -0.01 1.02 0.39 0.00 -1.51 0.00 0.00 179.97 179.86 1vle h ALA 334 N 1.01 0.88 -0.04 2.80 0.00 -0.97 -0.05 119.26 122.88 1vle h ALA 334 Ca 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vle h ALA 334 Cb 0.62 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1vle h ALA 334 CO 0.04 0.38 0.01 1.25 0.00 0.00 0.00 179.25 180.92 1vle h LEU 335 N 0.94 0.06 -0.38 0.00 5.85 -1.05 -1.25 115.31 119.49 1vle h LEU 335 Ca 0.24 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1vle h LEU 335 Cb 0.01 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 1vle h LEU 335 CO -0.04 0.32 -0.17 0.00 -0.34 0.00 0.00 178.44 178.20 1vle h ALA 336 N 0.75 0.11 -0.22 1.25 0.00 -0.76 0.31 119.26 120.70 1vle h ALA 336 Ca 0.01 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1vle h ALA 336 Cb 0.28 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1vle h ALA 336 CO 0.00 -0.54 0.08 0.00 0.00 0.00 0.00 179.25 178.79 1vle h ARG 337 N -0.11 0.33 -0.81 0.00 3.08 -0.96 -1.69 114.38 114.22 1vle h ARG 337 Ca 0.19 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1vle h ARG 337 Cb 0.39 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1vle h ARG 337 CO -0.45 0.39 0.53 0.37 -1.07 0.00 0.00 179.97 179.75 1vle h GLN 338 N 0.20 1.04 -0.68 0.04 5.75 -0.71 -2.35 115.11 118.40 1vle h GLN 338 Ca 0.07 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1vle h GLN 338 Cb 0.19 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1vle h GLN 338 CO -0.01 0.69 0.43 2.35 -2.65 0.00 0.00 178.83 179.64 1vle h TRP 339 N 1.07 0.87 -0.34 3.99 2.91 -0.23 -1.74 115.95 122.48 1vle h TRP 339 Ca 0.30 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.24 1vle h TRP 339 Cb -0.09 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.25 1vle h TRP 339 CO -0.02 0.57 -0.17 0.00 -1.03 0.00 0.00 178.44 177.79 1vle h ALA 340 N 1.23 1.07 -0.01 2.65 0.00 -0.81 -3.27 119.26 120.13 1vle h ALA 340 Ca 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1vle h ALA 340 Cb -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1vle h ALA 340 CO -0.05 0.57 -0.62 0.36 0.00 0.00 0.00 179.25 179.51 1vle n LYS 341 N -4.15 0.58 -4.28 0.00 2.85 -0.94 -4.90 118.16 107.31 1vle n LYS 341 Ca 0.01 -0.45 -0.26 0.00 -1.05 0.00 0.00 58.31 56.55 1vle n LYS 341 Cb 0.38 -1.49 -0.09 0.00 -0.65 0.00 0.00 35.03 33.17 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 -2.73 2.12 -0.56 -1.58 -0.14 -0.67 -5.03 119.74 111.14 1vle s LYS 342 Ca 0.15 -1.26 -0.27 0.00 -1.36 0.00 0.00 55.97 53.23 1vle s LYS 342 Cb 0.18 -2.18 -0.02 0.00 -1.68 0.00 0.00 37.83 34.12 1vle s LYS 342 CO 0.68 0.43 1.84 -0.80 -0.76 0.00 0.00 175.35 176.74 1vle s ASN 343 N -2.90 5.39 -0.12 2.83 0.01 -1.26 -4.83 114.94 114.05 1vle s ASN 343 Ca 0.26 0.50 -0.01 0.00 -0.71 0.00 0.00 52.86 52.90 1vle s ASN 343 Cb -0.09 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 1vle s ASN 343 CO 0.16 -2.26 -0.10 -0.89 -1.51 0.00 0.00 177.10 172.51 1vle s THR 344 N 8.68 3.37 -0.17 1.60 2.01 -1.05 -0.92 115.64 129.16 1vle s THR 344 Ca 0.69 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 62.08 1vle s THR 344 Cb -0.14 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 1vle s THR 344 CO 0.23 0.53 0.01 -0.31 -0.69 0.00 0.00 174.62 174.39 1vle s TYR 345 N 0.15 3.13 -0.41 4.92 1.51 -0.73 -3.90 117.35 122.03 1vle s TYR 345 Ca -0.05 -0.14 -0.23 0.00 -1.01 0.00 0.00 57.07 55.64 1vle s TYR 345 Cb -0.14 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.70 1vle s TYR 345 CO 0.04 0.04 0.81 -1.17 -1.11 0.00 0.00 175.55 174.15 1vle s LEU 346 N 0.42 4.15 -1.17 -1.29 2.96 -0.41 -1.68 118.68 121.66 1vle s LEU 346 Ca -0.00 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 53.96 1vle s LEU 346 Cb -0.13 -3.03 0.22 0.00 0.50 0.00 0.00 46.19 43.74 1vle s LEU 346 CO 0.02 -0.84 1.32 0.00 -1.32 0.00 0.00 176.35 175.53 1vle n ALA 347 N 6.63 4.10 -2.64 5.97 0.00 0.83 -1.28 120.51 134.12 1vle n ALA 347 Ca 0.03 -4.44 -0.41 0.00 0.00 0.00 0.00 53.44 48.62 1vle n ALA 347 Cb 0.48 -2.79 -0.05 0.00 0.00 0.00 0.00 19.45 17.09 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 0.24 3.63 0.08 0.00 0.00 -1.26 -0.56 121.76 123.90 1vle s ALA 348 Ca 0.38 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1vle s ALA 348 Cb -0.05 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1vle s ALA 348 CO -0.03 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1vle n GLY 349 N 3.89 -1.92 0.00 0.00 0.00 -0.60 -0.44 105.19 106.12 1vle n GLY 349 Ca 0.04 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.55 -1.23 0.07 -0.02 0.00 -1.25 -4.15 105.19 96.06 1vle n GLY 350 Ca -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.55 0.00 0.00 0.99 7.94 -1.26 -3.75 117.00 119.36 1vle n LEU 351 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1vle n LEU 351 Cb 0.34 0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.62 1vle n LEU 351 CO 0.36 0.33 0.00 0.61 -1.11 0.00 0.00 177.39 177.58 1vle n GLY 352 N 1.78 0.77 0.00 -3.96 0.00 -1.22 -4.54 105.19 98.01 1vle n GLY 352 Ca -0.23 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.16 7.00 -0.02 0.00 0.42 -4.23 105.19 108.20 1vle n GLY 353 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.28 -1.00 0.00 1.61 8.01 -1.26 -3.82 117.44 120.69 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 0.19 0.00 0.00 -2.01 0.00 0.00 31.31 29.49 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 3.06 0.41 6.99 0.00 -1.26 -3.85 105.19 110.53 1vle n GLY 355 Ca 0.00 -1.48 0.20 0.00 0.00 0.00 0.00 46.02 44.74 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 0.90 1.85 -0.02 0.00 -1.95 -0.61 103.07 103.24 1vle h GLY 356 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.16 1vle h GLY 356 CO 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 176.54 176.57 1vle h ALA 357 N 1.61 1.65 0.00 3.60 0.00 -1.89 -2.25 119.26 121.97 1vle h ALA 357 Ca 0.49 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.33 1vle h ALA 357 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1vle h ALA 357 CO -0.19 -0.09 -0.35 0.00 0.00 0.00 0.00 179.25 178.62 1vle n ARG 359 N -3.33 3.24 -3.92 0.00 1.85 -0.84 0.34 116.66 114.00 1vle n ARG 359 Ca 0.01 -4.59 -0.09 0.00 -1.00 0.00 0.00 57.85 52.18 1vle n ARG 359 Cb 0.58 -2.38 -0.03 0.00 -1.05 0.00 0.00 32.46 29.58 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 -2.37 -0.63 0.52 2.89 0.00 -1.24 -1.68 121.76 119.26 1vle s ALA 360 Ca 0.34 -0.68 0.41 0.00 0.00 0.00 0.00 51.96 52.03 1vle s ALA 360 Cb 0.07 0.94 2.23 0.00 0.00 0.00 0.00 23.12 26.35 1vle s ALA 360 CO 0.01 -0.94 2.25 0.66 0.00 0.00 0.00 175.76 177.74 1vle h SER 361 N 2.11 0.00 -0.24 0.00 4.64 -1.85 -1.14 113.55 117.06 1vle h SER 361 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 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 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.27 1vle n HIS 362 N -2.94 0.32 -0.31 4.77 1.44 -1.26 -4.46 115.22 112.78 1vle n HIS 362 Ca -0.03 -0.35 0.15 0.00 -2.01 0.00 0.00 57.72 55.48 1vle n HIS 362 Cb 0.07 -0.02 0.33 0.00 0.12 0.00 0.00 29.99 30.48 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 2.03 1.60 0.95 -1.39 0.00 -1.21 -0.84 103.07 104.21 1vle h GLY 363 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1vle h GLY 363 CO 0.00 -0.29 0.18 -2.22 0.00 0.00 0.00 176.54 174.20 1vle h ILE 364 N 0.40 1.15 0.00 2.60 2.04 -1.80 -1.54 117.51 120.35 1vle h ILE 364 Ca 0.58 -0.40 -0.13 0.00 1.00 0.00 0.00 64.86 65.91 1vle h ILE 364 Cb 1.13 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1vle h ILE 364 CO -0.54 0.15 -0.63 -0.33 0.00 0.00 0.00 178.15 176.80 1vle h GLU 365 N 0.42 0.00 0.21 2.37 4.39 -1.70 -1.40 114.58 118.88 1vle h GLU 365 Ca 0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1vle h GLU 365 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1vle h GLU 365 CO -0.02 0.63 -0.10 2.35 -1.16 0.00 0.00 179.01 180.71 1vle h TRP 366 N 0.00 -0.26 0.17 4.33 7.01 -1.00 0.20 115.95 126.40 1vle h TRP 366 Ca -0.01 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1vle h TRP 366 Cb 1.19 0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 28.30 1vle h TRP 366 CO 0.00 0.03 -0.37 0.00 -2.79 0.00 0.00 178.44 175.31 1vle h ALA 367 N 0.17 -0.68 -0.07 2.65 0.00 -1.25 0.41 119.26 120.49 1vle h ALA 367 Ca -0.03 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1vle h ALA 367 Cb 0.41 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1vle h ALA 367 CO 0.05 -0.94 0.06 0.00 0.00 0.00 0.00 179.25 178.42 1vle h ARG 368 N -0.64 0.00 -0.30 0.00 3.08 -1.24 -1.33 114.38 113.95 1vle h ARG 368 Ca 0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1vle h ARG 368 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1vle h ARG 368 CO -0.18 0.00 -0.37 0.78 -1.07 0.00 0.00 179.97 179.13 1vle h GLY 369 N 0.00 0.84 1.01 0.04 0.00 0.82 -0.28 103.07 105.50 1vle h GLY 369 Ca 0.03 -0.90 -0.05 0.00 0.00 0.00 0.00 47.33 46.41 1vle h GLY 369 CO -0.00 0.81 0.17 -0.33 0.00 0.00 0.00 176.54 177.19 1vle h MET 370 N 0.53 0.92 -0.52 4.80 2.86 0.09 -0.83 114.93 122.78 1vle h MET 370 Ca 0.04 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1vle h MET 370 Cb 0.95 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 1vle h MET 370 CO 0.09 0.84 0.25 0.82 1.06 0.00 0.00 176.91 179.96 1vle h ILE 371 N 0.83 1.20 0.12 -1.22 2.04 -1.25 -0.05 117.51 119.19 1vle h ILE 371 Ca 0.19 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1vle h ILE 371 Cb 0.31 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1vle h ILE 371 CO -0.00 0.22 -0.22 0.00 0.00 0.00 0.00 178.15 178.15 1vle h ALA 372 N 1.09 -0.38 -0.35 1.87 0.00 -0.65 0.28 119.26 121.12 1vle h ALA 372 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1vle h ALA 372 Cb 0.13 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1vle h ALA 372 CO -0.02 -0.76 0.19 -0.07 0.00 0.00 0.00 179.25 178.59 1vle h LEU 373 N -0.42 0.44 -1.31 0.00 4.07 -1.02 -0.42 115.31 116.64 1vle h LEU 373 Ca 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 1vle h LEU 373 Cb 0.44 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 1vle h LEU 373 CO -0.12 0.40 0.18 0.00 -1.08 0.00 0.00 178.44 177.82 1vle h ALA 374 N 1.06 1.46 -0.12 1.53 0.00 -0.79 -2.51 119.26 119.88 1vle h ALA 374 Ca 0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1vle h ALA 374 Cb 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1vle h ALA 374 CO -0.02 0.42 -0.11 1.15 0.00 0.00 0.00 179.25 180.68 1vle h THR 375 N 0.65 1.35 -0.05 0.00 2.02 0.04 -1.81 112.91 115.11 1vle h THR 375 Ca 0.16 -1.26 0.01 0.00 0.77 0.00 0.00 66.41 66.09 1vle h THR 375 Cb 0.14 1.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1vle h THR 375 CO -0.02 0.36 0.05 0.24 0.37 0.00 0.00 175.52 176.53 1vle h MET 376 N -0.10 0.00 -0.47 6.66 2.07 -0.83 0.36 114.93 122.62 1vle h MET 376 Ca 0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 1vle h MET 376 Cb 0.63 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.36 1vle h MET 376 CO 0.03 0.00 0.00 1.04 1.07 0.00 0.00 176.91 179.05 1vle n GLN 377 N -4.02 2.25 -2.74 1.72 1.13 -0.97 -1.02 117.38 113.72 1vle n GLN 377 Ca -0.02 -1.92 -0.09 0.00 -1.94 0.00 0.00 57.00 53.03 1vle n GLN 377 Cb 0.14 -1.44 0.04 0.00 0.11 0.00 0.00 30.24 29.09 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 1.37 0.07 3.56 1.08 0.00 0.12 -4.80 105.19 106.59 1vle n GLY 378 Ca 0.18 -0.20 -0.50 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.55 0.98 0.00 1.61 0.00 -0.69 -2.90 117.12 113.57 1vle n MET 379 Ca -0.12 0.35 0.00 0.00 0.00 0.00 0.00 57.70 57.93 1vle n MET 379 Cb 0.58 -1.83 0.00 0.00 0.00 0.00 0.00 33.22 31.97 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 2.00 1.50 3.87 3.17 0.00 -0.25 -4.46 105.19 111.02 1vle n GLY 380 Ca 0.16 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 3.74 0.12 1.61 -2.85 -1.14 -4.02 119.74 117.20 1vle s LYS 381 Ca 0.00 0.72 -0.35 0.00 -1.00 0.00 0.00 55.97 55.34 1vle s LYS 381 Cb 0.00 -2.18 -0.16 0.00 -2.06 0.00 0.00 37.83 33.43 1vle s LYS 381 CO 0.00 -0.35 1.38 -2.30 0.10 0.00 0.00 175.35 174.18 1vle n PRO 382 N -2.08 1.43 -1.05 1.78 -0.02 -1.26 -1.81 135.00 131.99 1vle n PRO 382 Ca 0.05 0.51 -0.02 0.00 -2.02 0.00 0.00 63.50 62.03 1vle n PRO 382 Cb 0.54 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.65 0.52 3.17 -1.23 0.00 -1.26 -4.99 105.19 104.05 1vle n GLY 383 Ca 0.17 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.36 -0.58 0.01 1.61 0.15 -0.75 -2.52 113.70 109.25 1vle s SER 384 Ca 0.00 0.79 -0.27 0.00 0.70 0.00 0.00 55.95 57.17 1vle s SER 384 Cb 0.00 1.68 0.09 0.00 -1.71 0.00 0.00 66.02 66.08 1vle s SER 384 CO 0.00 -0.26 1.25 0.21 1.20 0.00 0.00 173.24 175.64 1vle s ASN 385 N 2.71 0.01 -0.31 5.45 3.84 -1.25 -1.09 114.94 124.30 1vle s ASN 385 Ca 0.10 -0.27 -0.12 0.00 0.21 0.00 0.00 52.86 52.77 1vle s ASN 385 Cb -0.14 0.20 -0.03 0.00 -0.55 0.00 0.00 41.25 40.72 1vle s ASN 385 CO -0.17 -0.39 0.21 -0.32 -2.79 0.00 0.00 177.10 173.64 1vle s MET 386 N -2.02 3.68 -0.19 0.43 -2.45 -1.26 -1.29 119.30 116.20 1vle s MET 386 Ca 0.29 -0.51 -0.10 0.00 -1.25 0.00 0.00 55.69 54.12 1vle s MET 386 Cb -0.01 -3.72 0.06 0.00 1.25 0.00 0.00 34.83 32.41 1vle s MET 386 CO 0.00 -0.33 0.46 -0.46 1.05 0.00 0.00 175.02 175.75 1vle s TRP 387 N 1.73 -0.69 -2.07 4.11 -0.00 -0.41 -4.91 118.94 116.71 1vle s TRP 387 Ca 0.06 1.44 0.23 0.00 -0.00 0.00 0.00 56.10 57.83 1vle s TRP 387 Cb -0.17 0.33 0.58 0.00 -0.00 0.00 0.00 33.47 34.22 1vle s TRP 387 CO 0.10 -0.38 1.50 0.43 -0.00 0.00 0.00 176.95 178.60 1vle n SER 388 N 4.26 3.82 0.00 5.86 7.64 -1.26 -3.12 113.62 130.82 1vle n SER 388 Ca -0.23 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.66 1vle n SER 388 Cb 0.56 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 1.59 0.00 -0.06 0.44 -2.24 -1.26 -4.85 114.28 107.91 1vle n THR 389 Ca 0.23 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.87 1vle n THR 389 Cb 0.62 -0.23 -0.14 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.08 1.57 -3.70 4.28 -2.24 -1.26 -4.88 114.28 105.97 1vle n THR 390 Ca 0.00 -0.74 -0.13 0.00 -2.27 0.00 0.00 64.05 60.91 1vle n THR 390 Cb 0.03 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 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 -3.10 1.08 -0.25 -0.78 6.02 -1.26 -4.21 117.38 114.88 1vle n GLN 391 Ca -0.30 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 54.94 1vle n GLN 391 Cb 1.07 0.19 0.00 0.00 1.02 0.00 0.00 30.24 32.52 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 1.63 0.75 3.77 1.08 0.00 -1.20 -4.28 105.19 106.94 1vle n GLY 392 Ca -0.01 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 -2.25 2.58 0.00 1.61 1.01 -1.20 -1.37 120.40 120.79 1vle s VAL 393 Ca 0.00 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.55 1vle s VAL 393 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1vle s VAL 393 CO 0.00 0.13 1.04 -2.65 0.00 0.00 0.00 175.10 173.62 1vle n PRO 394 N 0.95 0.52 -1.29 2.72 -0.02 -1.26 -4.62 135.00 132.00 1vle n PRO 394 Ca 0.01 -0.04 -0.29 0.00 -2.02 0.00 0.00 63.50 61.16 1vle n PRO 394 Cb 0.41 -1.30 0.14 0.00 -0.02 0.00 0.00 33.50 32.73 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 2.08 -0.93 2.45 1.43 -1.26 -4.75 118.68 117.69 1vle s LEU 395 Ca 0.03 1.30 -0.24 0.00 -1.03 0.00 0.00 54.13 54.19 1vle s LEU 395 Cb 0.01 -3.67 0.03 0.00 0.03 0.00 0.00 46.19 42.59 1vle s LEU 395 CO 0.00 -2.68 1.53 -0.62 0.23 0.00 0.00 176.35 174.81 1vle s ASP 396 N -3.58 6.13 0.60 2.29 3.68 -1.26 -4.79 116.67 119.74 1vle s ASP 396 Ca 0.64 -1.05 0.39 0.00 2.13 0.00 0.00 52.55 54.65 1vle s ASP 396 Cb -0.17 -2.56 1.86 0.00 -1.45 0.00 0.00 42.92 40.60 1vle s ASP 396 CO 0.56 -1.84 2.17 1.88 0.13 0.00 0.00 175.17 178.07 1vle h TYR 397 N 10.38 0.00 -0.10 -5.34 0.99 -1.96 -2.60 116.97 118.35 1vle h TYR 397 Ca 0.08 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.70 1vle h TYR 397 Cb 1.02 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.74 1vle h TYR 397 CO 1.23 0.01 -0.42 0.93 -0.00 0.00 0.00 178.16 179.90 1vle h GLU 398 N 0.00 0.22 -6.81 4.88 5.08 -2.01 -3.44 114.58 112.50 1vle h GLU 398 Ca -0.00 -0.10 -0.51 0.00 -1.00 0.00 0.00 59.36 57.75 1vle h GLU 398 Cb 0.27 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.55 1vle h GLU 398 CO 0.00 0.61 0.51 0.12 -1.00 0.00 0.00 179.01 179.24 1vle s PHE 399 N -4.11 3.48 -0.19 4.33 5.36 -0.98 -5.03 117.98 120.84 1vle s PHE 399 Ca -0.04 1.64 -0.01 0.00 -0.96 0.00 0.00 56.93 57.55 1vle s PHE 399 Cb 0.13 -3.36 0.00 0.00 -0.34 0.00 0.00 43.02 39.46 1vle s PHE 399 CO 0.77 -0.80 -0.11 -0.47 -1.46 0.00 0.00 175.22 173.14 1vle s TYR 400 N -1.11 2.87 -0.08 10.12 5.04 -1.26 -5.03 117.35 127.90 1vle s TYR 400 Ca 0.46 -1.16 -0.03 0.00 -2.44 0.00 0.00 57.07 53.89 1vle s TYR 400 Cb -0.33 -2.00 0.04 0.00 0.35 0.00 0.00 41.96 40.02 1vle s TYR 400 CO 0.43 -0.60 0.16 0.12 -1.34 0.00 0.00 175.55 174.32 1vle s PHE 401 N 1.25 -0.19 0.48 4.97 5.36 -1.26 -1.42 117.98 127.17 1vle s PHE 401 Ca 0.03 0.57 -0.24 0.00 -0.96 0.00 0.00 56.93 56.32 1vle s PHE 401 Cb -0.14 -0.15 -0.07 0.00 -0.34 0.00 0.00 43.02 42.32 1vle s PHE 401 CO -0.05 -0.22 1.40 -2.14 -1.46 0.00 0.00 175.22 172.74 1vle s PRO 402 N 1.68 3.50 0.38 10.12 0.02 -1.26 -5.05 135.00 144.40 1vle s PRO 402 Ca -0.04 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.34 1vle s PRO 402 Cb -0.12 -2.51 -0.02 0.00 0.02 0.00 0.00 34.50 31.87 1vle s PRO 402 CO -0.06 -0.93 0.57 0.20 -0.33 0.00 0.00 177.00 176.45 1vle s GLY 403 N -0.68 1.47 0.52 0.52 0.00 -1.26 -4.80 107.32 103.08 1vle s GLY 403 Ca 0.65 -1.09 0.20 0.00 0.00 0.00 0.00 44.72 44.48 1vle s GLY 403 CO 0.53 -0.98 2.08 0.10 0.00 0.00 0.00 173.10 174.82 1vle h TYR 404 N 0.66 0.01 0.00 1.90 -0.00 -1.42 -1.48 116.97 116.63 1vle h TYR 404 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.25 1vle h TYR 404 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.97 1vle h TYR 404 CO 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.63 1vle n ALA 405 N -2.59 1.35 1.47 0.10 0.00 -0.73 -2.89 120.51 117.22 1vle n ALA 405 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1vle n ALA 405 Cb 0.33 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.24 0.99 0.00 0.00 1.02 -0.56 -1.07 120.64 118.78 1vle n GLU 406 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1vle n GLU 406 Cb 0.13 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.24 2.78 7.00 0.62 0.00 -1.14 -3.05 105.19 111.64 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 2.45 0.70 -0.02 0.00 -1.26 -1.16 105.19 103.89 1vle n GLY 408 Ca 0.00 0.37 0.09 0.00 0.00 0.00 0.00 46.02 46.48 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 0.40 -0.00 -0.61 -5.35 -1.26 -4.20 119.36 108.34 1vle n ILE 409 Ca 0.00 -0.48 -0.19 0.00 -0.27 0.00 0.00 62.75 61.81 1vle n ILE 409 Cb 0.00 0.37 -0.14 0.00 -1.74 0.00 0.00 39.64 38.13 1vle n ILE 409 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1vle n SER 410 N 0.60 1.92 -1.41 7.28 3.41 -0.31 -4.67 113.62 120.44 1vle n SER 410 Ca 0.15 0.23 -0.16 0.00 -0.26 0.00 0.00 58.87 58.84 1vle n SER 410 Cb 0.36 -0.72 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 1vle n SER 410 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vle n GLY 411 N 1.93 1.07 3.55 5.00 0.00 -1.25 0.38 105.19 115.87 1vle n GLY 411 Ca -0.30 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.67 5.57 0.18 1.61 -1.08 -1.26 -4.66 116.67 114.36 1vle s ASP 412 Ca 0.00 -0.07 0.19 0.00 -0.52 0.00 0.00 52.55 52.16 1vle s ASP 412 Cb 0.00 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.76 1vle s ASP 412 CO 0.00 -2.22 1.60 0.00 0.52 0.00 0.00 175.17 175.07 1vle n GLU 414 N -2.00 0.66 -0.57 0.00 4.07 -1.26 -4.52 120.64 117.02 1vle n GLU 414 Ca 0.02 0.33 0.06 0.00 -0.06 0.00 0.00 57.16 57.52 1vle n GLU 414 Cb 0.18 -1.65 0.28 0.00 -0.06 0.00 0.00 31.44 30.18 1vle n GLU 414 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1vle n ASN 415 N -3.83 4.10 -3.88 4.31 3.02 -1.22 -4.97 115.26 112.79 1vle n ASN 415 Ca -0.38 -3.08 -0.09 0.00 -0.03 0.00 0.00 54.58 51.00 1vle n ASN 415 Cb 0.91 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 39.45 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 -1.77 -0.16 -0.05 6.41 1.04 -1.04 -5.00 113.70 113.13 1vle s SER 416 Ca 0.45 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 56.20 1vle s SER 416 Cb 0.36 0.58 0.20 0.00 0.10 0.00 0.00 66.02 67.26 1vle s SER 416 CO 0.09 -1.10 0.81 0.00 0.98 0.00 0.00 173.24 174.02 1vle n ALA 417 N -0.36 2.82 -0.34 5.32 0.00 -0.23 -4.29 120.51 123.44 1vle n ALA 417 Ca -0.06 -0.45 0.04 0.00 0.00 0.00 0.00 53.44 52.97 1vle n ALA 417 Cb 0.62 -1.03 0.19 0.00 0.00 0.00 0.00 19.45 19.23 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 2.51 1.34 0.00 0.00 0.00 -1.73 -2.17 119.26 119.21 1vle h ALA 418 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1vle h ALA 418 Cb 0.83 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1vle h ALA 418 CO 0.11 0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1vle n GLY 419 N -1.34 -0.75 0.09 0.00 0.00 -1.26 -0.98 105.19 100.95 1vle n GLY 419 Ca 0.16 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 1vle n GLY 419 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1vle h PHE 420 N 0.00 0.22 0.00 1.61 3.57 -1.74 -3.47 116.94 117.14 1vle h PHE 420 Ca 0.00 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1vle h PHE 420 Cb 0.12 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1vle h PHE 420 CO 0.00 0.89 0.00 1.17 -2.23 0.00 0.00 178.31 178.14 1vle n LYS 421 N -4.55 0.00 -0.02 1.11 4.81 -1.18 -4.99 118.16 113.34 1vle n LYS 421 Ca -0.09 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.26 1vle n LYS 421 Cb 0.47 -0.04 -0.03 0.00 0.02 0.00 0.00 35.03 35.45 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 -0.22 -0.90 5.64 3.57 -1.81 -2.34 116.94 120.87 1vle h PHE 422 Ca 0.00 0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.73 1vle h PHE 422 Cb 0.00 0.12 -0.12 0.00 2.79 0.00 0.00 35.95 38.75 1vle h PHE 422 CO 0.00 -0.15 0.42 0.00 -2.23 0.00 0.00 178.31 176.35 1vle h ALA 423 N 1.05 1.43 0.00 2.41 0.00 -1.33 0.44 119.26 123.27 1vle h ALA 423 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1vle h ALA 423 Cb 0.22 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1vle h ALA 423 CO -0.22 -0.29 0.00 -1.49 0.00 0.00 0.00 179.25 177.26 1vle h TRP 424 N 0.46 0.00 0.04 0.00 4.06 -1.63 -1.83 115.95 117.05 1vle h TRP 424 Ca 0.55 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 61.12 1vle h TRP 424 Cb 0.99 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.10 1vle h TRP 424 CO -0.12 0.00 -2.26 0.54 -3.56 0.00 0.00 178.44 173.04 1vle n ARG 425 N -3.08 0.69 0.04 0.49 1.74 0.12 -4.53 116.66 112.13 1vle n ARG 425 Ca -0.01 0.18 -0.09 0.00 -0.77 0.00 0.00 57.85 57.16 1vle n ARG 425 Cb 0.23 -1.60 0.05 0.00 -1.02 0.00 0.00 32.46 30.12 1vle n ARG 425 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1vle h MET 426 N 0.02 0.44 -6.41 5.56 4.05 -0.47 -3.44 114.93 114.68 1vle h MET 426 Ca -0.51 -0.32 -0.68 0.00 -0.28 0.00 0.00 59.70 57.91 1vle h MET 426 Cb 1.98 0.06 -0.19 0.00 -0.80 0.00 0.00 31.60 32.65 1vle h MET 426 CO -0.01 0.94 -0.74 -0.06 0.23 0.00 0.00 176.91 177.27 1vle s PHE 427 N -3.77 2.75 -0.43 1.39 0.40 -0.70 -4.95 117.98 112.67 1vle s PHE 427 Ca -0.06 -0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1vle s PHE 427 Cb 0.11 -1.54 0.06 0.00 0.51 0.00 0.00 43.02 42.15 1vle s PHE 427 CO 0.84 0.32 0.80 -0.40 0.70 0.00 0.00 175.22 177.48 1vle n ASP 428 N 1.52 1.70 -2.31 1.36 5.68 -1.25 -4.76 116.55 118.49 1vle n ASP 428 Ca -0.16 -1.47 -0.16 0.00 -0.50 0.00 0.00 54.79 52.50 1vle n ASP 428 Cb 0.52 -0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.46 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 0.09 -0.25 1.90 6.12 0.00 -1.25 -4.71 105.19 107.08 1vle n GLY 429 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.80 0.00 -0.01 1.61 5.02 -1.26 -5.00 118.16 115.72 1vle n LYS 430 Ca -0.19 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.09 1vle n LYS 430 Cb 0.63 -0.05 -0.01 0.00 -0.02 0.00 0.00 35.03 35.58 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 -2.57 0.11 -5.18 -0.18 -2.24 -1.26 -5.03 114.28 97.94 1vle n THR 431 Ca 0.00 -0.06 -0.30 0.00 -2.27 0.00 0.00 64.05 61.42 1vle n THR 431 Cb 0.05 -0.79 -0.16 0.00 -2.10 0.00 0.00 70.33 67.32 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 -2.04 1.92 0.10 4.28 -1.32 -1.26 -5.09 115.64 112.23 1vle s THR 432 Ca -0.02 -1.00 0.07 0.00 -1.21 0.00 0.00 61.69 59.53 1vle s THR 432 Cb 0.01 -1.62 -0.03 0.00 -1.51 0.00 0.00 72.50 69.34 1vle s THR 432 CO 0.06 0.54 -0.17 -0.36 -2.21 0.00 0.00 174.62 172.48 1vle s PHE 433 N -0.19 1.49 0.78 9.09 0.40 -1.26 -3.85 117.98 124.44 1vle s PHE 433 Ca -0.02 -0.47 -0.11 0.00 -0.60 0.00 0.00 56.93 55.73 1vle s PHE 433 Cb -0.13 -0.81 0.06 0.00 0.51 0.00 0.00 43.02 42.66 1vle s PHE 433 CO 0.03 0.15 1.09 -2.14 0.70 0.00 0.00 175.22 175.05 1vle s PRO 434 N -2.11 2.21 -0.58 0.24 0.02 -1.26 -4.99 135.00 128.52 1vle s PRO 434 Ca 0.05 0.66 0.01 0.00 0.02 0.00 0.00 61.00 61.74 1vle s PRO 434 Cb -0.08 -1.93 0.15 0.00 0.02 0.00 0.00 34.50 32.65 1vle s PRO 434 CO 0.03 -1.54 0.35 0.45 -0.33 0.00 0.00 177.00 175.96 1vle s SER 435 N -3.92 4.72 0.76 2.53 0.15 0.16 -5.00 113.70 113.10 1vle s SER 435 Ca 0.60 -2.99 -0.12 0.00 0.70 0.00 0.00 55.95 54.15 1vle s SER 435 Cb -0.14 -1.73 0.05 0.00 -1.71 0.00 0.00 66.02 62.49 1vle s SER 435 CO 0.54 -0.28 1.10 -2.84 1.20 0.00 0.00 173.24 172.97 1vle s PRO 436 N -0.26 2.38 -0.09 5.44 0.02 -1.26 -4.50 135.00 136.73 1vle s PRO 436 Ca 0.17 0.51 -0.00 0.00 0.02 0.00 0.00 61.00 61.70 1vle s PRO 436 Cb -0.23 -1.96 0.02 0.00 0.02 0.00 0.00 34.50 32.35 1vle s PRO 436 CO -0.02 -1.38 -0.05 0.45 -0.33 0.00 0.00 177.00 175.67 1vle s SER 437 N -4.16 1.81 0.00 2.53 0.15 -1.26 -4.63 113.70 108.14 1vle s SER 437 Ca 0.60 -0.21 0.24 0.00 0.70 0.00 0.00 55.95 57.28 1vle s SER 437 Cb -0.13 -0.66 0.81 0.00 -1.71 0.00 0.00 66.02 64.33 1vle s SER 437 CO 0.53 -0.13 1.59 -0.46 1.20 0.00 0.00 173.24 175.97 1vle n ASN 438 N 4.83 1.80 -0.08 5.45 6.94 -1.26 -4.22 115.26 128.72 1vle n ASN 438 Ca -0.13 -1.67 -0.16 0.00 -0.02 0.00 0.00 54.58 52.61 1vle n ASN 438 Cb 0.50 -0.07 -0.07 0.00 -2.36 0.00 0.00 39.78 37.78 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 0.41 1.90 -3.83 -4.53 4.77 -1.26 -4.62 117.00 109.84 1vle n LEU 439 Ca 0.17 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 1vle n LEU 439 Cb 0.37 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1vle n LEU 439 CO 0.15 0.52 2.47 -3.20 -1.33 0.00 0.00 177.39 175.99 1vle n ASN 440 N -3.46 3.73 -3.82 -1.43 2.85 -1.26 -2.06 115.26 109.81 1vle n ASN 440 Ca -0.32 -2.82 -0.09 0.00 -0.11 0.00 0.00 54.58 51.24 1vle n ASN 440 Cb 0.77 -1.57 -0.05 0.00 1.24 0.00 0.00 39.78 40.17 1vle n ASN 440 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1vle s THR 441 N 3.87 0.03 0.27 -0.44 -1.32 -1.26 -4.85 115.64 111.95 1vle s THR 441 Ca 0.50 -0.98 -0.03 0.00 -1.21 0.00 0.00 61.69 59.97 1vle s THR 441 Cb 0.12 -1.71 0.27 0.00 -1.51 0.00 0.00 72.50 69.67 1vle s THR 441 CO -0.03 -0.15 1.93 0.28 -2.21 0.00 0.00 174.62 174.45 1vle h SER 442 N 2.28 1.04 0.27 8.08 0.02 -1.97 -1.60 113.55 121.67 1vle h SER 442 Ca -0.29 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1vle h SER 442 Cb 1.25 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1vle h SER 442 CO 0.39 0.73 0.00 0.00 -1.14 0.00 0.00 176.83 176.81 1vle n ALA 443 N -2.39 2.54 -2.01 3.77 0.00 -1.26 -4.74 120.51 116.42 1vle n ALA 443 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1vle n ALA 443 Cb 0.06 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 1.05 0.94 2.86 0.00 0.00 -0.60 -5.02 105.19 104.41 1vle n GLY 444 Ca 0.18 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 4.29 0.03 0.19 1.61 0.74 -0.88 -4.82 119.66 120.83 1vle s GLN 445 Ca 0.00 0.24 -0.09 0.00 0.05 0.00 0.00 55.36 55.56 1vle s GLN 445 Cb 0.00 -0.17 -0.01 0.00 1.10 0.00 0.00 33.01 33.93 1vle s GLN 445 CO 0.00 -0.14 0.32 -3.38 -0.55 0.00 0.00 175.29 171.54 1vle s HIS 446 N 0.90 0.50 0.08 1.67 -3.43 -1.26 -4.04 115.29 109.70 1vle s HIS 446 Ca -0.07 -0.84 0.02 0.00 -0.80 0.00 0.00 55.06 53.37 1vle s HIS 446 Cb -0.10 -0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 30.96 1vle s HIS 446 CO -0.03 -0.79 -0.07 0.96 -2.00 0.00 0.00 174.74 172.81 1vle s ILE 447 N -4.01 0.63 0.15 -5.38 -4.36 -0.91 -4.88 121.20 102.44 1vle s ILE 447 Ca 0.22 -1.72 -0.30 0.00 -0.26 0.00 0.00 60.65 58.59 1vle s ILE 447 Cb 0.03 -1.41 -0.07 0.00 1.25 0.00 0.00 42.46 42.26 1vle s ILE 447 CO 0.04 -0.76 1.08 -2.84 0.24 0.00 0.00 174.94 172.71 1vle s PRO 448 N -3.27 4.60 0.44 0.37 0.02 -1.26 -1.86 135.00 134.03 1vle s PRO 448 Ca 0.06 1.66 0.13 0.00 0.02 0.00 0.00 61.00 62.87 1vle s PRO 448 Cb 0.02 -3.31 1.02 0.00 0.02 0.00 0.00 34.50 32.25 1vle s PRO 448 CO -0.04 0.06 2.00 -0.09 -0.33 0.00 0.00 177.00 178.61 1vle h ARG 449 N 5.42 0.40 0.00 5.54 2.43 -1.50 -0.66 114.38 126.00 1vle h ARG 449 Ca -0.44 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1vle h ARG 449 Cb 1.21 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1vle h ARG 449 CO 0.73 0.26 0.00 1.28 -1.51 0.00 0.00 179.97 180.73 1vle n LEU 450 N -4.47 0.49 -0.66 3.80 4.77 -1.26 -3.45 117.00 116.22 1vle n LEU 450 Ca 0.08 0.60 0.05 0.00 -0.03 0.00 0.00 56.01 56.72 1vle n LEU 450 Cb 0.32 -0.52 0.11 0.00 -2.33 0.00 0.00 43.42 41.00 1vle n LEU 450 CO 0.34 -0.40 0.32 0.29 -1.33 0.00 0.00 177.39 176.61 1vle n LYS 451 N -2.02 0.83 -0.32 3.23 4.76 -0.28 -4.77 118.16 119.58 1vle n LYS 451 Ca 0.03 -2.37 -0.01 0.00 -2.87 0.00 0.00 58.31 53.09 1vle n LYS 451 Cb 0.25 -0.99 0.12 0.00 -1.84 0.00 0.00 35.03 32.57 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 3.31 1.12 -0.54 -0.18 2.04 -1.52 -1.04 117.51 120.71 1vle h ILE 452 Ca -0.05 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.49 1vle h ILE 452 Cb 1.29 -0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1vle h ILE 452 CO 0.02 0.20 0.27 -0.65 0.00 0.00 0.00 178.15 177.99 1vle h PRO 453 N 1.08 0.51 -0.40 2.37 0.11 -1.87 -0.32 132.00 133.48 1vle h PRO 453 Ca 0.36 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.29 1vle h PRO 453 Cb 0.04 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1vle h PRO 453 CO -0.13 0.34 -0.32 0.93 -0.21 0.00 0.00 178.00 178.61 1vle h GLU 454 N 0.53 0.92 -0.67 1.05 3.07 -1.82 -1.00 114.58 116.65 1vle h GLU 454 Ca 0.24 -0.46 0.01 0.00 -0.50 0.00 0.00 59.36 58.65 1vle h GLU 454 Cb 0.15 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 1vle h GLU 454 CO -0.17 1.11 0.44 0.00 -1.40 0.00 0.00 179.01 178.99 1vle h ILE 456 N 0.91 0.81 0.00 0.00 2.04 -0.97 0.52 117.51 120.80 1vle h ILE 456 Ca 0.25 -0.94 -0.10 0.00 1.00 0.00 0.00 64.86 65.07 1vle h ILE 456 Cb -0.10 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1vle h ILE 456 CO -0.05 0.18 -0.46 0.24 0.00 0.00 0.00 178.15 178.06 1vle h MET 457 N -0.81 0.00 0.00 2.37 2.86 -1.21 -3.31 114.93 114.83 1vle h MET 457 Ca -0.03 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 1vle h MET 457 Cb 0.51 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1vle h MET 457 CO 0.05 0.46 -1.87 0.41 1.06 0.00 0.00 176.91 177.01 1vle n GLY 458 N 1.10 -1.09 2.39 8.32 0.00 0.21 -4.98 105.19 111.13 1vle n GLY 458 Ca 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 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 1.44 0.41 3.58 -0.02 0.00 0.17 -4.96 105.19 105.81 1vle n GLY 459 Ca -0.14 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.12 0.62 0.01 1.61 2.20 -1.25 -4.45 119.74 117.36 1vle s LYS 460 Ca 0.00 0.17 -0.28 0.00 -0.36 0.00 0.00 55.97 55.50 1vle s LYS 460 Cb 0.00 0.29 0.10 0.00 -1.51 0.00 0.00 37.83 36.71 1vle s LYS 460 CO 0.00 -0.19 0.86 0.12 -0.36 0.00 0.00 175.35 175.78 1vle s PHE 461 N -1.06 -0.37 -0.06 4.03 5.36 -0.73 -4.52 117.98 120.63 1vle s PHE 461 Ca -0.02 0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 56.14 1vle s PHE 461 Cb -0.01 0.54 0.02 0.00 -0.34 0.00 0.00 43.02 43.23 1vle s PHE 461 CO 0.02 -0.57 0.14 -1.14 -1.46 0.00 0.00 175.22 172.21 1vle s GLN 462 N -3.14 0.15 0.23 10.12 -0.44 -1.26 -0.24 119.66 125.07 1vle s GLN 462 Ca 0.04 0.24 -0.08 0.00 -2.50 0.00 0.00 55.36 53.06 1vle s GLN 462 Cb -0.01 0.02 0.03 0.00 -1.64 0.00 0.00 33.01 31.41 1vle s GLN 462 CO -0.09 -0.05 0.45 -2.67 0.50 0.00 0.00 175.29 173.42 1vle n TRP 463 N 3.29 -1.70 -4.84 1.67 2.14 -0.40 -5.00 117.44 112.59 1vle n TRP 463 Ca -0.16 -1.17 -0.33 0.00 2.07 0.00 0.00 57.50 57.92 1vle n TRP 463 Cb 0.57 0.52 -0.14 0.00 -0.81 0.00 0.00 31.31 31.45 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 -2.25 3.95 0.06 -0.67 0.01 -1.26 -0.90 113.70 112.63 1vle s SER 464 Ca 0.11 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1vle s SER 464 Cb -0.03 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.80 1vle s SER 464 CO 0.08 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.55 1vle n GLY 465 N 3.22 -2.81 3.14 3.44 0.00 0.12 -4.67 105.19 107.63 1vle n GLY 465 Ca -0.18 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.65 2.37 2.24 1.61 2.20 -1.26 -4.89 119.74 118.36 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 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 1vle s LYS 466 CO 0.00 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 1vle n GLY 467 N 4.57 2.58 3.56 5.54 0.00 -1.26 -3.88 105.19 116.29 1vle n GLY 467 Ca -0.13 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 2.22 -1.32 1.61 0.40 -1.22 -4.50 117.98 115.17 1vle s PHE 468 Ca 0.00 0.22 -0.09 0.00 -0.60 0.00 0.00 56.93 56.46 1vle s PHE 468 Cb 0.00 -4.49 0.14 0.00 0.51 0.00 0.00 43.02 39.17 1vle s PHE 468 CO 0.00 -2.05 2.05 0.00 0.70 0.00 0.00 175.22 175.92 1vle n ALA 469 N 9.84 5.73 1.19 5.36 0.00 -1.25 -4.69 120.51 136.70 1vle n ALA 469 Ca 0.08 -4.20 0.13 0.00 0.00 0.00 0.00 53.44 49.45 1vle n ALA 469 Cb 0.49 -3.02 0.36 0.00 0.00 0.00 0.00 19.45 17.29 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 2.77 -0.79 0.34 0.00 0.00 -1.26 -4.40 105.19 101.85 1vle n GLY 470 Ca 0.46 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 4.95 -0.55 -3.17 -0.02 0.00 -1.83 -3.09 103.07 99.36 1vle h GLY 471 Ca 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 1vle h GLY 471 CO 0.00 -0.24 -0.13 -0.35 0.00 0.00 0.00 176.54 175.83 1vle s ASP 472 N -4.83 -0.18 0.25 0.19 2.15 -1.26 -4.85 116.67 108.14 1vle s ASP 472 Ca -0.16 -0.34 -0.08 0.00 0.43 0.00 0.00 52.55 52.41 1vle s ASP 472 Cb 0.09 0.44 0.42 0.00 -0.30 0.00 0.00 42.92 43.57 1vle s ASP 472 CO 0.65 -0.81 1.63 0.40 -0.17 0.00 0.00 175.17 176.87 1vle h ILE 473 N 2.51 0.31 -0.00 4.11 2.04 -1.88 -1.57 117.51 123.02 1vle h ILE 473 Ca -0.34 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1vle h ILE 473 Cb 1.24 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1vle h ILE 473 CO 0.48 0.01 -0.02 -1.20 0.00 0.00 0.00 178.15 177.42 1vle n SER 474 N -5.38 0.42 0.24 1.72 7.64 -1.26 -4.05 113.62 112.94 1vle n SER 474 Ca 0.13 -0.95 0.10 0.00 1.01 0.00 0.00 58.87 59.16 1vle n SER 474 Cb 0.47 -0.04 0.67 0.00 -1.01 0.00 0.00 64.21 64.29 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 0.62 0.00 0.00 1.43 3.86 -1.58 -1.11 115.15 118.37 1vle h HIS 475 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1vle h HIS 475 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1vle h HIS 475 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1vle n GLN 476 N -4.46 0.00 0.02 2.45 10.64 -1.26 -2.79 117.38 121.98 1vle n GLN 476 Ca -0.02 0.17 0.12 0.00 -1.83 0.00 0.00 57.00 55.45 1vle n GLN 476 Cb 0.14 -1.50 0.21 0.00 -0.86 0.00 0.00 30.24 28.23 1vle n GLN 476 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1vle n LEU 477 N -1.50 0.57 -4.77 2.61 4.77 -0.42 -2.60 117.00 115.64 1vle n LEU 477 Ca 0.05 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 1vle n LEU 477 Cb 0.22 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1vle n LEU 477 CO 0.18 0.05 1.07 -2.28 -1.33 0.00 0.00 177.39 175.09 1vle s HIS 478 N -3.08 2.70 -0.08 -1.77 2.46 -1.12 -4.71 115.29 109.70 1vle s HIS 478 Ca 0.09 1.26 -0.14 0.00 0.47 0.00 0.00 55.06 56.75 1vle s HIS 478 Cb 0.16 -3.89 -0.05 0.00 -0.13 0.00 0.00 32.58 28.66 1vle s HIS 478 CO 0.71 -2.62 0.33 -0.65 -2.47 0.00 0.00 174.74 170.04 1vle s GLN 479 N -2.08 3.99 0.17 2.88 -1.52 -1.26 0.11 119.66 121.95 1vle s GLN 479 Ca 0.53 0.22 0.06 0.00 -1.95 0.00 0.00 55.36 54.22 1vle s GLN 479 Cb -0.44 -3.31 -0.04 0.00 -0.22 0.00 0.00 33.01 29.00 1vle s GLN 479 CO 0.59 0.50 -0.12 0.71 -0.25 0.00 0.00 175.29 176.72 1vle s TYR 480 N -0.39 1.46 0.06 0.91 1.51 -0.08 -4.94 117.35 115.89 1vle s TYR 480 Ca 0.20 -0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 55.58 1vle s TYR 480 Cb -0.15 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.95 1vle s TYR 480 CO 0.08 0.20 -0.02 -1.83 -1.11 0.00 0.00 175.55 172.88 1vle s GLU 481 N -3.66 0.66 -0.03 -0.62 -1.05 -1.26 -1.28 118.70 111.47 1vle s GLU 481 Ca 0.19 -1.25 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 1vle s GLU 481 Cb 0.01 0.21 0.03 0.00 -0.44 0.00 0.00 34.13 33.94 1vle s GLU 481 CO 0.03 -0.13 0.02 -0.47 0.95 0.00 0.00 175.26 175.66 1vle s TYR 482 N -3.94 0.18 0.47 4.83 5.04 0.66 -2.92 117.35 121.69 1vle s TYR 482 Ca 0.10 0.07 -0.22 0.00 -2.44 0.00 0.00 57.07 54.58 1vle s TYR 482 Cb 0.08 -0.35 -0.08 0.00 0.35 0.00 0.00 41.96 41.96 1vle s TYR 482 CO -0.08 -0.12 1.10 -1.25 -1.34 0.00 0.00 175.55 173.86 1vle s PRO 483 N 1.14 3.77 0.59 4.97 0.04 -1.26 -1.78 135.00 142.47 1vle s PRO 483 Ca -0.08 1.57 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 1vle s PRO 483 Cb -0.13 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1vle s PRO 483 CO -0.02 -0.50 1.20 0.00 0.04 0.00 0.00 177.00 177.72 1vle s ALA 484 N -1.74 2.55 -0.14 8.56 0.00 -1.15 -4.86 121.76 124.99 1vle s ALA 484 Ca 0.65 0.98 -0.39 0.00 0.00 0.00 0.00 51.96 53.20 1vle s ALA 484 Cb -0.23 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.28 1vle s ALA 484 CO 0.27 -1.14 1.53 -2.30 0.00 0.00 0.00 175.76 174.12 1vle n PRO 485 N -1.59 0.96 0.00 0.00 -0.02 -1.26 -1.18 135.00 131.91 1vle n PRO 485 Ca 0.13 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1vle n PRO 485 Cb 0.50 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 3.33 2.91 3.92 -1.23 0.00 -1.26 -5.01 105.19 107.85 1vle n GLY 486 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.20 2.64 0.13 1.61 1.51 -0.32 -5.09 117.35 116.62 1vle s TYR 487 Ca 0.00 0.47 0.04 0.00 -1.01 0.00 0.00 57.07 56.57 1vle s TYR 487 Cb 0.00 -3.42 -0.04 0.00 -0.11 0.00 0.00 41.96 38.39 1vle s TYR 487 CO 0.00 -1.74 0.13 0.45 -1.11 0.00 0.00 175.55 173.28 1vle s SER 488 N -4.61 5.62 0.84 2.29 0.15 -1.26 -4.72 113.70 112.00 1vle s SER 488 Ca 0.63 -0.05 -0.11 0.00 0.70 0.00 0.00 55.95 57.13 1vle s SER 488 Cb -0.09 -1.51 0.09 0.00 -1.71 0.00 0.00 66.02 62.80 1vle s SER 488 CO 0.47 0.11 1.10 -0.54 1.20 0.00 0.00 173.24 175.58 1vle s LYS 489 N -2.81 1.73 0.21 5.44 1.02 -1.26 -4.34 119.74 119.72 1vle s LYS 489 Ca 0.31 1.10 -0.30 0.00 0.02 0.00 0.00 55.97 57.09 1vle s LYS 489 Cb -0.11 -1.84 -0.09 0.00 -0.52 0.00 0.00 37.83 35.27 1vle s LYS 489 CO 0.23 -1.99 1.35 0.42 -0.92 0.00 0.00 175.35 174.44 1vle s ILE 490 N -2.87 3.04 0.00 2.17 -1.09 -1.26 -4.37 121.20 116.81 1vle s ILE 490 Ca 0.63 0.86 0.00 0.00 -2.23 0.00 0.00 60.65 59.90 1vle s ILE 490 Cb -0.18 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1vle s ILE 490 CO 0.57 0.13 0.00 0.29 -1.23 0.00 0.00 174.94 174.70 1vle n LYS 491 N 2.56 3.55 -4.24 2.79 4.76 0.46 -4.75 118.16 123.27 1vle n LYS 491 Ca 0.06 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.31 1vle n LYS 491 Cb 0.42 -0.97 -0.12 0.00 -1.84 0.00 0.00 35.03 32.52 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 -1.94 0.91 -0.23 1.97 1.75 -0.80 -0.81 119.30 120.16 1vle s MET 492 Ca 0.00 -0.94 -0.01 0.00 -1.25 0.00 0.00 55.69 53.49 1vle s MET 492 Cb 0.00 -0.96 0.07 0.00 2.84 0.00 0.00 34.83 36.78 1vle s MET 492 CO 0.00 0.22 0.03 0.12 -0.65 0.00 0.00 175.02 174.74 1vle s PHE 493 N -1.14 1.52 -0.63 4.11 5.99 -0.15 0.40 117.98 128.08 1vle s PHE 493 Ca 0.00 -1.28 -0.17 0.00 0.00 0.00 0.00 56.93 55.49 1vle s PHE 493 Cb -0.09 -1.32 0.13 0.00 0.00 0.00 0.00 43.02 41.74 1vle s PHE 493 CO 0.02 -0.71 0.67 -0.46 -0.00 0.00 0.00 175.22 174.74 1vle s TRP 494 N 1.69 3.23 0.17 10.12 -0.11 0.95 -1.33 118.94 133.66 1vle s TRP 494 Ca 0.00 -1.29 -0.16 0.00 1.22 0.00 0.00 56.10 55.87 1vle s TRP 494 Cb -0.18 -3.92 -0.07 0.00 -1.50 0.00 0.00 33.47 27.80 1vle s TRP 494 CO -0.11 -1.15 0.61 0.15 -4.62 0.00 0.00 176.95 171.82 1vle s LYS 495 N 1.85 4.08 -0.30 5.86 1.02 0.12 -2.90 119.74 129.47 1vle s LYS 495 Ca 0.11 0.63 0.03 0.00 0.02 0.00 0.00 55.97 56.76 1vle s LYS 495 Cb -0.23 -2.93 0.08 0.00 -0.52 0.00 0.00 37.83 34.23 1vle s LYS 495 CO 0.01 0.46 -0.02 -0.47 -0.92 0.00 0.00 175.35 174.41 1vle s TYR 496 N -1.46 3.51 0.00 3.18 5.04 -0.97 -0.59 117.35 126.06 1vle s TYR 496 Ca 0.39 -2.63 0.00 0.00 -2.44 0.00 0.00 57.07 52.39 1vle s TYR 496 Cb -0.16 -2.43 0.00 0.00 0.35 0.00 0.00 41.96 39.72 1vle s TYR 496 CO 0.20 -0.91 0.00 0.41 -1.34 0.00 0.00 175.55 173.91 1vle n GLY 497 N 4.36 -1.02 2.67 8.97 0.00 -0.86 -4.15 105.19 115.16 1vle n GLY 497 Ca -0.05 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.14 0.77 0.18 -0.02 0.00 -1.26 -4.85 105.19 98.87 1vle n GLY 498 Ca 0.00 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 0.77 0.95 0.26 1.61 -0.04 -1.26 -1.10 135.00 136.19 1vle n PRO 499 Ca 0.09 -0.36 0.13 0.00 -0.04 0.00 0.00 63.50 63.31 1vle n PRO 499 Cb 0.67 -1.41 0.69 0.00 -0.04 0.00 0.00 33.50 33.41 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 0.87 0.00 0.00 0.54 3.86 -1.95 0.31 115.15 118.77 1vle h HIS 500 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1vle h HIS 500 Cb 0.54 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1vle h HIS 500 CO 0.00 0.00 -0.16 -0.07 0.86 0.00 0.00 177.93 178.56 1vle h LEU 501 N 0.00 0.00 -0.50 2.43 3.38 -1.89 -2.74 115.31 115.99 1vle h LEU 501 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vle h LEU 501 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1vle h LEU 501 CO 0.00 0.16 -0.28 0.61 0.09 0.00 0.00 178.44 179.01 1vle n GLY 502 N 0.65 -0.06 0.00 0.83 0.00 0.03 -4.53 105.19 102.10 1vle n GLY 502 Ca 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.58 0.00 -0.34 2.61 -2.24 -0.80 -1.43 114.28 111.51 1vle n THR 503 Ca 0.03 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1vle n THR 503 Cb 0.19 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.42 3.47 -4.66 -0.78 2.81 -1.03 -4.95 117.12 110.54 1vle n MET 504 Ca -0.00 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.63 1vle n MET 504 Cb 0.07 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.44 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 3.21 1.73 -1.01 2.03 -4.23 -1.26 -4.74 115.64 111.37 1vle s THR 505 Ca 0.00 -1.24 -0.12 0.00 -1.18 0.00 0.00 61.69 59.15 1vle s THR 505 Cb 0.00 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 72.35 1vle s THR 505 CO 0.00 0.22 0.22 0.00 -0.54 0.00 0.00 174.62 174.52 1vle n ALA 506 N 1.81 -1.93 0.16 3.99 0.00 0.11 -4.72 120.51 119.94 1vle n ALA 506 Ca -0.17 -0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.00 1vle n ALA 506 Cb 0.53 -1.15 0.50 0.00 0.00 0.00 0.00 19.45 19.33 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 -3.76 0.86 0.20 0.00 -2.24 -0.89 -2.99 114.28 105.46 1vle n THR 507 Ca -0.17 0.74 0.18 0.00 -2.27 0.00 0.00 64.05 62.54 1vle n THR 507 Cb 0.46 -1.74 0.83 0.00 -2.10 0.00 0.00 70.33 67.78 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 0.64 3.42 2.35 -1.85 0.21 115.58 120.35 1vle h ASN 508 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1vle h ASN 508 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1vle h ASN 508 CO 0.00 0.00 -0.27 0.08 -1.65 0.00 0.00 177.43 175.59 1vle h ARG 509 N 0.00 0.00 -0.02 0.81 0.11 -1.86 -1.71 114.38 111.70 1vle h ARG 509 Ca 0.10 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.04 1vle h ARG 509 Cb 0.60 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.67 1vle h ARG 509 CO -0.00 0.27 -0.63 1.88 0.10 0.00 0.00 179.97 181.59 1vle h TYR 510 N 0.00 0.11 -0.12 4.08 -1.99 -0.85 -2.34 116.97 115.86 1vle h TYR 510 Ca -0.00 -0.05 -0.10 0.00 2.00 0.00 0.00 58.73 60.59 1vle h TYR 510 Cb 0.66 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.38 1vle h TYR 510 CO 0.00 0.69 -0.29 0.00 -0.00 0.00 0.00 178.16 178.56 1vle h ALA 511 N 1.30 0.20 -0.98 3.88 0.00 -1.37 -3.29 119.26 119.00 1vle h ALA 511 Ca -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1vle h ALA 511 Cb 1.12 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1vle h ALA 511 CO 0.09 0.22 0.65 0.87 0.00 0.00 0.00 179.25 181.08 1vle h LYS 512 N 0.00 1.28 -0.36 0.00 1.57 -1.25 -3.10 116.57 114.71 1vle h LYS 512 Ca -0.00 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1vle h LYS 512 Cb 0.90 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1vle h LYS 512 CO 0.06 0.85 0.24 0.00 -0.57 0.00 0.00 179.45 180.04 1vle h MET 513 N 1.32 0.32 -0.00 3.15 -0.00 -1.49 -2.91 114.93 115.33 1vle h MET 513 Ca 0.36 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 60.04 1vle h MET 513 Cb -0.14 -0.07 -0.00 0.00 -0.00 0.00 0.00 31.60 31.39 1vle h MET 513 CO -0.08 0.21 0.00 1.88 -0.00 0.00 0.00 176.91 178.92 1vle h TYR 514 N 0.33 0.00 -0.05 -0.10 -1.99 -1.67 -2.27 116.97 111.23 1vle h TYR 514 Ca 0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.88 1vle h TYR 514 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.92 1vle h TYR 514 CO -0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 1vle n THR 515 N -4.27 0.04 -2.03 -2.88 -2.24 -1.10 -4.84 114.28 96.98 1vle n THR 515 Ca -0.03 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1vle n THR 515 Cb 0.09 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.96 3.10 -1.67 4.78 5.04 -0.85 -3.91 115.29 119.82 1vle s HIS 516 Ca 0.37 0.86 0.14 0.00 -1.54 0.00 0.00 55.06 54.88 1vle s HIS 516 Cb 0.20 -3.82 0.73 0.00 0.04 0.00 0.00 32.58 29.74 1vle s HIS 516 CO 0.32 -2.87 1.30 -0.40 -2.34 0.00 0.00 174.74 170.76 1vle n ASP 517 N 3.37 0.00 0.15 9.88 3.85 -1.26 -1.72 116.55 130.82 1vle n ASP 517 Ca 0.11 -0.12 0.03 0.00 -0.71 0.00 0.00 54.79 54.09 1vle n ASP 517 Cb 0.40 -0.17 0.07 0.00 -1.35 0.00 0.00 41.12 40.08 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 -1.95 -1.12 4.64 -1.90 -3.40 113.55 109.82 1vle h SER 518 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1vle h SER 518 Cb 0.07 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.08 1vle h SER 518 CO 0.00 0.47 1.20 -0.76 -0.87 0.00 0.00 176.83 176.87 1vle s LEU 519 N -6.52 3.27 0.34 5.97 1.43 -0.70 -4.59 118.68 117.87 1vle s LEU 519 Ca 0.04 -0.74 0.17 0.00 -1.03 0.00 0.00 54.13 52.56 1vle s LEU 519 Cb 0.08 -2.56 0.48 0.00 0.03 0.00 0.00 46.19 44.22 1vle s LEU 519 CO 0.73 -1.76 1.64 -0.33 0.23 0.00 0.00 176.35 176.86 1vle h GLU 520 N 10.08 0.00 -2.42 1.70 5.08 -1.20 -3.46 114.58 124.36 1vle h GLU 520 Ca -0.13 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1vle h GLU 520 Cb 1.04 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.07 1vle h GLU 520 CO 1.32 0.44 -0.06 0.12 -1.00 0.00 0.00 179.01 179.83 1vle s PHE 521 N -3.40 -0.58 -0.06 4.33 5.36 -1.17 -5.04 117.98 117.43 1vle s PHE 521 Ca 0.01 1.36 -0.01 0.00 -0.96 0.00 0.00 56.93 57.33 1vle s PHE 521 Cb 0.10 0.22 0.03 0.00 -0.34 0.00 0.00 43.02 43.02 1vle s PHE 521 CO 0.71 -0.33 -0.00 0.08 -1.46 0.00 0.00 175.22 174.22 1vle s VAL 522 N 0.05 0.36 -0.01 3.12 1.01 -1.26 -0.98 120.40 122.68 1vle s VAL 522 Ca -0.02 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1vle s VAL 522 Cb -0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1vle s VAL 522 CO 0.02 0.23 -0.24 -0.69 0.00 0.00 0.00 175.10 174.43 1vle s VAL 523 N 1.65 2.28 -0.17 2.92 1.01 -0.44 -0.55 120.40 127.11 1vle s VAL 523 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1vle s VAL 523 Cb -0.13 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1vle s VAL 523 CO -0.04 0.54 -0.12 -0.55 0.00 0.00 0.00 175.10 174.93 1vle s SER 524 N -0.78 2.94 -0.57 3.32 0.15 0.42 0.15 113.70 119.33 1vle s SER 524 Ca 0.11 -0.64 -0.07 0.00 0.70 0.00 0.00 55.95 56.04 1vle s SER 524 Cb -0.10 -1.17 0.15 0.00 -1.71 0.00 0.00 66.02 63.19 1vle s SER 524 CO 0.00 -0.10 0.43 -1.58 1.20 0.00 0.00 173.24 173.19 1vle s GLN 525 N 1.47 2.64 0.34 5.44 0.74 0.24 0.10 119.66 130.63 1vle s GLN 525 Ca 0.02 -2.12 0.07 0.00 0.05 0.00 0.00 55.36 53.38 1vle s GLN 525 Cb -0.14 -3.92 -0.03 0.00 1.10 0.00 0.00 33.01 30.02 1vle s GLN 525 CO -0.10 -1.19 0.26 0.43 -0.55 0.00 0.00 175.29 174.14 1vle n SER 526 N 4.29 -0.36 -0.14 6.67 7.64 -0.91 -2.03 113.62 128.78 1vle n SER 526 Ca 0.01 -3.17 -0.29 0.00 1.01 0.00 0.00 58.87 56.43 1vle n SER 526 Cb 0.41 1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 65.06 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 -0.68 1.50 -4.24 0.44 5.41 -1.26 -0.74 119.36 119.78 1vle n ILE 527 Ca 0.05 -0.40 -0.32 0.00 1.00 0.00 0.00 62.75 63.09 1vle n ILE 527 Cb 0.60 -1.84 -0.09 0.00 -0.71 0.00 0.00 39.64 37.61 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 -2.50 3.03 -1.03 1.39 0.51 -1.26 -1.33 118.94 117.76 1vle s TRP 528 Ca -0.38 0.04 -0.20 0.00 -2.12 0.00 0.00 56.10 53.44 1vle s TRP 528 Cb 0.14 -1.62 0.09 0.00 -0.81 0.00 0.00 33.47 31.27 1vle s TRP 528 CO 0.49 0.46 1.35 0.12 -0.51 0.00 0.00 176.95 178.86 1vle s PHE 529 N -1.16 2.86 0.35 -1.98 5.36 0.15 -4.79 117.98 118.78 1vle s PHE 529 Ca 0.21 -1.24 -0.11 0.00 -0.96 0.00 0.00 56.93 54.83 1vle s PHE 529 Cb -0.12 -4.51 0.03 0.00 -0.34 0.00 0.00 43.02 38.08 1vle s PHE 529 CO 0.13 -1.71 0.64 -1.83 -1.46 0.00 0.00 175.22 170.99 1vle s GLU 530 N 3.74 2.01 3.85 10.12 -1.05 -1.26 -4.94 118.70 131.16 1vle s GLU 530 Ca 0.41 -1.48 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 1vle s GLU 530 Cb -0.02 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 1vle s GLU 530 CO -0.07 -0.89 0.00 0.41 0.95 0.00 0.00 175.26 175.65 1vle n GLY 531 N -0.52 2.39 0.07 -3.83 0.00 -1.18 -1.67 105.19 100.46 1vle n GLY 531 Ca -0.04 0.38 0.12 0.00 0.00 0.00 0.00 46.02 46.48 1vle n GLY 531 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vle n GLU 532 N 6.41 0.29 -0.34 1.61 1.02 -0.26 -4.33 120.64 125.05 1vle n GLU 532 Ca 0.00 0.11 0.18 0.00 -0.02 0.00 0.00 57.16 57.43 1vle n GLU 532 Cb 0.00 -1.71 0.40 0.00 -0.02 0.00 0.00 31.44 30.10 1vle n GLU 532 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1vle h VAL 533 N 0.00 0.57 0.00 2.62 2.07 -1.54 -1.87 116.25 118.10 1vle h VAL 533 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1vle h VAL 533 Cb 0.75 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1vle h VAL 533 CO 0.00 0.11 0.00 -2.65 0.02 0.00 0.00 177.57 175.05 1vle n PRO 534 N -4.81 0.69 -0.00 1.57 -0.02 -1.26 -2.40 135.00 128.76 1vle n PRO 534 Ca 0.26 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.78 1vle n PRO 534 Cb 0.73 -1.20 -0.06 0.00 -0.02 0.00 0.00 33.50 32.96 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 -0.13 0.00 -1.67 6.00 3.01 -0.70 -3.28 117.46 120.69 1vle n PHE 535 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 1vle n PHE 535 Cb 0.10 -0.03 0.05 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 -2.00 2.49 -0.08 4.37 0.00 -1.01 -4.43 121.76 121.10 1vle s ALA 536 Ca 0.03 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 1vle s ALA 536 Cb 0.07 -3.28 -0.29 0.00 0.00 0.00 0.00 23.12 19.63 1vle s ALA 536 CO 0.39 -1.30 0.56 -0.44 0.00 0.00 0.00 175.76 174.97 1vle h ASP 537 N -0.25 0.50 -3.65 0.00 3.32 -1.17 -3.41 116.42 111.76 1vle h ASP 537 Ca -0.46 -0.91 -0.48 0.00 0.02 0.00 0.00 57.03 55.21 1vle h ASP 537 Cb 1.23 -0.16 -0.32 0.00 0.22 0.00 0.00 39.33 40.30 1vle h ASP 537 CO 0.54 1.75 -0.80 -0.63 -1.72 0.00 0.00 179.24 178.38 1vle s ILE 538 N -2.54 0.98 -0.11 0.35 -1.09 -0.95 -0.64 121.20 117.20 1vle s ILE 538 Ca -0.19 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 57.84 1vle s ILE 538 Cb 0.05 -0.88 -0.00 0.00 -1.58 0.00 0.00 42.46 40.05 1vle s ILE 538 CO 0.81 0.31 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.97 1vle s ILE 539 N 0.41 2.20 -0.21 2.92 1.01 0.15 -0.44 121.20 127.24 1vle s ILE 539 Ca -0.08 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.58 1vle s ILE 539 Cb -0.12 -1.85 -0.00 0.00 0.01 0.00 0.00 42.46 40.50 1vle s ILE 539 CO 0.02 0.55 -0.09 -0.76 0.00 0.00 0.00 174.94 174.66 1vle s LEU 540 N 0.36 2.66 -0.32 2.97 1.43 0.11 -1.62 118.68 124.28 1vle s LEU 540 Ca -0.17 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.17 1vle s LEU 540 Cb -0.18 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 1vle s LEU 540 CO 0.08 -0.01 1.43 -2.84 0.23 0.00 0.00 176.35 175.24 1vle s PRO 541 N 1.41 3.75 0.21 1.29 0.02 -1.26 -2.14 135.00 138.27 1vle s PRO 541 Ca 0.05 1.24 0.04 0.00 0.02 0.00 0.00 61.00 62.36 1vle s PRO 541 Cb -0.14 -3.98 -0.03 0.00 0.02 0.00 0.00 34.50 30.37 1vle s PRO 541 CO -0.06 -1.34 0.30 0.00 -0.33 0.00 0.00 177.00 175.57 1vle s ALA 542 N 5.04 3.88 0.37 -1.55 0.00 0.08 -1.90 121.76 127.68 1vle s ALA 542 Ca 0.62 -1.18 0.07 0.00 0.00 0.00 0.00 51.96 51.48 1vle s ALA 542 Cb -0.18 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1vle s ALA 542 CO 0.28 0.36 0.36 0.00 0.00 0.00 0.00 175.76 176.76 1vle n THR 544 N -1.50 0.00 0.63 0.00 -2.24 -1.26 -4.80 114.28 105.11 1vle n THR 544 Ca 0.01 -0.94 0.13 0.00 -2.27 0.00 0.00 64.05 60.98 1vle n THR 544 Cb 0.60 -1.48 0.45 0.00 -2.10 0.00 0.00 70.33 67.80 1vle n THR 544 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1vle n ASN 545 N -3.96 0.60 -0.02 3.42 6.94 -1.26 -2.67 115.26 118.31 1vle n ASN 545 Ca 0.17 0.58 0.15 0.00 -0.02 0.00 0.00 54.58 55.45 1vle n ASN 545 Cb 0.58 -0.73 0.72 0.00 -2.36 0.00 0.00 39.78 37.99 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 -2.09 0.00 -1.08 -2.53 3.01 -1.26 -3.39 117.46 110.12 1vle n PHE 546 Ca 0.05 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.58 1vle n PHE 546 Cb 0.36 -0.27 0.23 0.00 -0.01 0.00 0.00 39.48 39.78 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 -1.24 2.47 -3.83 -1.08 1.02 -1.09 -1.48 120.64 115.40 1vle n GLU 547 Ca 0.14 -2.85 -0.07 0.00 -0.02 0.00 0.00 57.16 54.36 1vle n GLU 547 Cb 0.25 -1.78 -0.02 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.90 1.70 -0.11 3.49 1.70 -1.22 -4.31 118.95 117.30 1vle s ARG 548 Ca 0.41 -0.93 -0.16 0.00 -0.47 0.00 0.00 55.73 54.57 1vle s ARG 548 Cb 0.34 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 35.26 1vle s ARG 548 CO 0.06 -0.78 0.41 -1.58 -1.08 0.00 0.00 175.30 172.34 1vle s TRP 549 N -3.83 3.54 0.30 5.89 0.52 -1.26 -3.42 118.94 120.67 1vle s TRP 549 Ca 0.11 0.83 -0.07 0.00 0.02 0.00 0.00 56.10 56.98 1vle s TRP 549 Cb -0.05 -2.45 0.03 0.00 -1.15 0.00 0.00 33.47 29.85 1vle s TRP 549 CO 0.06 0.27 0.52 -3.47 0.02 0.00 0.00 176.95 174.35 1vle n ASP 550 N 3.31 -1.49 -3.78 2.95 -0.08 -0.72 -4.69 116.55 112.05 1vle n ASP 550 Ca -0.10 -2.37 -0.13 0.00 -1.51 0.00 0.00 54.79 50.69 1vle n ASP 550 Cb 0.52 2.58 -0.10 0.00 2.34 0.00 0.00 41.12 46.45 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 -2.49 0.03 0.32 5.18 2.07 -1.26 -0.23 121.20 124.81 1vle s ILE 551 Ca 0.17 -0.21 -0.18 0.00 -1.41 0.00 0.00 60.65 59.02 1vle s ILE 551 Cb -0.02 -0.46 0.06 0.00 0.13 0.00 0.00 42.46 42.16 1vle s ILE 551 CO 0.13 -0.12 0.84 -0.94 -1.91 0.00 0.00 174.94 172.94 1vle s SER 552 N -0.43 -0.03 -0.01 4.50 1.04 -0.97 -1.63 113.70 116.17 1vle s SER 552 Ca -0.05 -0.96 0.04 0.00 0.48 0.00 0.00 55.95 55.45 1vle s SER 552 Cb -0.04 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 1vle s SER 552 CO 0.02 -1.48 -0.13 -0.70 0.98 0.00 0.00 173.24 171.92 1vle s GLU 553 N -2.50 1.10 -0.53 4.02 2.12 -1.26 -1.31 118.70 120.33 1vle s GLU 553 Ca 0.16 -0.47 -0.43 0.00 0.36 0.00 0.00 54.97 54.60 1vle s GLU 553 Cb -0.05 -1.05 -0.19 0.00 0.26 0.00 0.00 34.13 33.10 1vle s GLU 553 CO 0.09 0.27 2.19 0.34 -0.54 0.00 0.00 175.26 177.61 1vle n PHE 554 N 2.80 1.13 -1.67 5.30 -0.00 0.53 -0.69 117.46 124.86 1vle n PHE 554 Ca -0.14 0.72 -0.15 0.00 -0.00 0.00 0.00 57.45 57.87 1vle n PHE 554 Cb 0.55 -2.31 -0.05 0.00 -0.00 0.00 0.00 39.48 37.67 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 7.83 -0.35 -2.66 3.13 0.00 -1.26 -4.72 120.51 122.49 1vle n ALA 555 Ca 0.55 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.79 1vle n ALA 555 Cb -0.02 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 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 -2.24 6.21 -0.24 0.00 3.84 0.13 -4.27 114.94 118.37 1vle s ASN 556 Ca 0.00 -0.56 -0.18 0.00 0.21 0.00 0.00 52.86 52.33 1vle s ASN 556 Cb 0.00 -2.50 -0.15 0.00 -0.55 0.00 0.00 41.25 38.05 1vle s ASN 556 CO 0.00 -1.61 -0.06 0.00 -2.79 0.00 0.00 177.10 172.64 1vle n SER 558 N -4.36 -1.82 0.00 0.00 2.88 -1.16 -1.78 113.62 107.39 1vle n SER 558 Ca -0.41 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 1vle n SER 558 Cb 0.76 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 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 2.31 0.00 0.46 0.00 -1.26 -1.69 105.19 105.00 1vle n GLY 559 Ca 0.00 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 4.90 0.00 -3.24 1.61 0.53 -1.26 -3.16 117.16 116.54 1vle n TYR 560 Ca 0.00 0.00 -0.24 0.00 -1.02 0.00 0.00 57.90 56.64 1vle n TYR 560 Cb 0.00 -0.11 -0.07 0.00 -1.03 0.00 0.00 39.34 38.13 1vle n TYR 560 CO 0.00 0.00 0.00 -0.89 -1.02 0.00 0.00 176.86 174.95 1vle n ILE 561 N -1.11 0.25 -1.64 -0.72 5.41 -0.68 -4.25 119.36 116.61 1vle n ILE 561 Ca 0.14 -4.43 -0.48 0.00 1.00 0.00 0.00 62.75 58.99 1vle n ILE 561 Cb 0.11 -1.81 -0.04 0.00 -0.71 0.00 0.00 39.64 37.19 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 1.10 1.82 -3.38 0.38 -0.02 -1.19 -2.53 135.00 131.18 1vle n PRO 562 Ca 0.24 0.66 -0.24 0.00 -2.02 0.00 0.00 63.50 62.13 1vle n PRO 562 Cb 0.51 -2.36 0.03 0.00 -0.02 0.00 0.00 33.50 31.66 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 2.94 -5.35 0.00 2.55 8.00 -1.26 -4.87 116.55 118.56 1vle n ASP 563 Ca 0.17 -0.45 0.13 0.00 0.71 0.00 0.00 54.79 55.34 1vle n ASP 563 Cb 0.26 -4.31 0.75 0.00 -0.02 0.00 0.00 41.12 37.81 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 -2.61 0.00 0.09 -2.24 2.04 -1.05 -2.53 115.26 108.95 1vle n ASN 564 Ca -0.04 -0.79 0.09 0.00 -0.44 0.00 0.00 54.58 53.40 1vle n ASN 564 Cb 0.57 -0.00 0.41 0.00 -2.53 0.00 0.00 39.78 38.23 1vle n ASN 564 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1vle n TYR 565 N -1.00 0.50 0.87 -2.53 4.11 -1.26 -1.72 117.16 116.13 1vle n TYR 565 Ca 0.19 0.21 0.04 0.00 -0.00 0.00 0.00 57.90 58.34 1vle n TYR 565 Cb 0.09 -0.84 0.26 0.00 -0.00 0.00 0.00 39.34 38.85 1vle n TYR 565 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1vle n GLN 566 N -1.97 0.43 0.20 -3.48 10.64 -1.05 -1.50 117.38 120.66 1vle n GLN 566 Ca 0.02 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.27 1vle n GLN 566 Cb 0.16 -1.32 0.21 0.00 -0.86 0.00 0.00 30.24 28.44 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 0.00-10.18 2.61 3.38 -1.50 -3.17 115.31 106.45 1vle h LEU 567 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 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 0.23 -0.35 0.00 0.09 0.00 0.00 178.44 178.41 1vle h ASN 569 N 1.23 0.00 -5.08 0.00 2.35 -1.86 -3.45 115.58 108.76 1vle h ASN 569 Ca -0.51 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.14 1vle h ASN 569 Cb 1.22 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.42 1vle h ASN 569 CO 0.63 0.04 -0.40 -1.00 -1.65 0.00 0.00 177.43 175.05 1vle s HIS 570 N -3.56 0.07 -0.44 1.19 3.76 -1.26 -4.85 115.29 110.20 1vle s HIS 570 Ca 0.02 -0.32 -0.22 0.00 -0.15 0.00 0.00 55.06 54.39 1vle s HIS 570 Cb 0.08 -0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.76 1vle s HIS 570 CO 0.59 -0.44 0.71 1.03 -0.85 0.00 0.00 174.74 175.78 1vle s ARG 571 N -2.71 3.34 -0.27 1.40 0.52 -1.26 -4.95 118.95 115.01 1vle s ARG 571 Ca -0.04 -0.25 -0.03 0.00 -0.52 0.00 0.00 55.73 54.90 1vle s ARG 571 Cb -0.00 -3.95 0.03 0.00 0.52 0.00 0.00 34.95 31.55 1vle s ARG 571 CO -0.05 -1.06 -0.02 0.08 0.02 0.00 0.00 175.30 174.27 1vle s VAL 572 N 3.05 3.10 -0.23 3.52 1.01 -1.26 -1.30 120.40 128.28 1vle s VAL 572 Ca 0.26 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1vle s VAL 572 Cb -0.13 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1vle s VAL 572 CO 0.21 0.10 0.15 -0.63 0.00 0.00 0.00 175.10 174.93 1vle s ILE 573 N 1.34 5.38 0.03 2.22 1.01 -0.06 -0.34 121.20 130.77 1vle s ILE 573 Ca -0.01 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.84 1vle s ILE 573 Cb -0.17 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1vle s ILE 573 CO -0.02 0.38 -0.06 -0.94 0.00 0.00 0.00 174.94 174.30 1vle s SER 574 N 0.83 0.59 -0.04 3.58 1.04 -0.43 0.92 113.70 120.19 1vle s SER 574 Ca 0.08 -0.48 -0.28 0.00 0.48 0.00 0.00 55.95 55.75 1vle s SER 574 Cb -0.13 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 1vle s SER 574 CO 0.02 -0.21 0.89 -0.22 0.98 0.00 0.00 173.24 174.70 1vle s LEU 575 N -1.39 4.33 -1.03 2.42 2.96 0.12 -2.28 118.68 123.81 1vle s LEU 575 Ca -0.11 1.47 -0.14 0.00 -0.22 0.00 0.00 54.13 55.13 1vle s LEU 575 Cb -0.09 -3.40 0.19 0.00 0.50 0.00 0.00 46.19 43.39 1vle s LEU 575 CO -0.00 -0.25 1.15 -1.10 -1.32 0.00 0.00 176.35 174.83 1vle s GLN 576 N 1.14 3.87 0.39 1.98 -0.21 0.68 -3.58 119.66 123.94 1vle s GLN 576 Ca 0.46 -2.44 -0.27 0.00 0.02 0.00 0.00 55.36 53.14 1vle s GLN 576 Cb -0.19 -4.79 -0.09 0.00 1.00 0.00 0.00 33.01 28.93 1vle s GLN 576 CO 0.23 -1.57 1.33 0.00 -2.12 0.00 0.00 175.29 173.16 1vle s ALA 577 N 1.07 3.33 -0.84 6.09 0.00 -0.41 -1.75 121.76 129.24 1vle s ALA 577 Ca 0.32 1.30 -0.25 0.00 0.00 0.00 0.00 51.96 53.33 1vle s ALA 577 Cb -0.06 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 1vle s ALA 577 CO -0.06 -0.85 1.68 0.21 0.00 0.00 0.00 175.76 176.73 1vle s LYS 578 N -2.17 2.96 0.18 0.00 2.20 -1.22 -4.74 119.74 116.95 1vle s LYS 578 Ca 0.55 -0.31 -0.10 0.00 -0.36 0.00 0.00 55.97 55.76 1vle s LYS 578 Cb -0.40 -4.84 0.07 0.00 -1.51 0.00 0.00 37.83 31.15 1vle s LYS 578 CO 0.52 -2.71 1.65 0.00 -0.36 0.00 0.00 175.35 174.45 1vle s ILE 580 N -5.09 0.06 0.38 0.00 -4.36 -1.16 -4.80 121.20 106.22 1vle s ILE 580 Ca -0.12 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.04 1vle s ILE 580 Cb 0.13 -2.51 -0.10 0.00 1.25 0.00 0.00 42.46 41.24 1vle s ILE 580 CO 0.85 0.00 0.95 -1.61 0.24 0.00 0.00 174.94 175.37 1vle s GLU 581 N -3.89 4.39 0.20 0.37 0.41 -1.26 -4.48 118.70 114.45 1vle s GLU 581 Ca 0.39 1.23 -0.31 0.00 -0.41 0.00 0.00 54.97 55.87 1vle s GLU 581 Cb 0.05 -2.48 -0.16 0.00 -1.78 0.00 0.00 34.13 29.76 1vle s GLU 581 CO 0.18 0.11 1.03 -2.30 -0.49 0.00 0.00 175.26 173.79 1vle n PRO 582 N -0.06 1.02 -2.50 0.39 -0.02 -1.26 -4.89 135.00 127.69 1vle n PRO 582 Ca 0.05 0.36 -0.40 0.00 -2.02 0.00 0.00 63.50 61.49 1vle n PRO 582 Cb 0.52 -1.76 -0.04 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.55 3.55 0.00 -1.45 1.01 -1.26 -4.75 120.40 116.94 1vle s VAL 583 Ca 0.68 1.50 0.00 0.00 0.00 0.00 0.00 61.98 64.16 1vle s VAL 583 Cb -0.83 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 31.62 1vle s VAL 583 CO 0.55 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.57 1vle n GLY 584 N 1.07 2.12 1.67 4.51 0.00 -1.26 -2.57 105.19 110.73 1vle n GLY 584 Ca -0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 1vle n GLY 584 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vle n GLU 585 N 10.21 2.31 -2.10 1.61 2.13 0.04 -5.00 120.64 129.85 1vle n GLU 585 Ca 0.00 -3.09 -0.29 0.00 0.66 0.00 0.00 57.16 54.44 1vle n GLU 585 Cb 0.00 -2.01 0.03 0.00 0.27 0.00 0.00 31.44 29.72 1vle n GLU 585 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1vle s SER 586 N -1.83 5.83 0.12 4.31 1.04 -1.06 -4.75 113.70 117.36 1vle s SER 586 Ca 0.51 1.10 -0.11 0.00 0.48 0.00 0.00 55.95 57.93 1vle s SER 586 Cb 0.44 -2.09 0.01 0.00 0.10 0.00 0.00 66.02 64.47 1vle s SER 586 CO 0.06 -1.03 0.29 0.00 0.98 0.00 0.00 173.24 173.54 1vle s MET 587 N -5.14 1.00 0.58 4.02 0.23 -0.80 -4.72 119.30 114.48 1vle s MET 587 Ca 0.55 -0.93 -0.21 0.00 -1.03 0.00 0.00 55.69 54.07 1vle s MET 587 Cb -0.11 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.55 1vle s MET 587 CO 0.50 -0.36 1.35 -1.13 -2.03 0.00 0.00 175.02 173.35 1vle n SER 588 N -0.15 2.57 -0.36 -1.18 3.41 -1.26 -1.99 113.62 114.66 1vle n SER 588 Ca -0.13 0.94 0.06 0.00 -0.26 0.00 0.00 58.87 59.47 1vle n SER 588 Cb 0.63 -1.58 0.23 0.00 -0.26 0.00 0.00 64.21 63.23 1vle n SER 588 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1vle h ASP 589 N 1.19 0.95 -0.34 4.04 3.32 -1.94 -1.10 116.42 122.54 1vle h ASP 589 Ca -0.51 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1vle h ASP 589 Cb 1.31 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1vle h ASP 589 CO 0.56 0.54 0.22 0.22 -1.72 0.00 0.00 179.24 179.07 1vle h TYR 590 N 1.04 0.43 0.00 4.55 5.03 -1.92 -0.70 116.97 125.39 1vle h TYR 590 Ca 0.47 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.73 1vle h TYR 590 Cb 0.38 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1vle h TYR 590 CO -0.00 0.27 -0.26 0.93 -1.32 0.00 0.00 178.16 177.78 1vle h GLU 591 N 0.46 0.00 -0.05 1.82 4.39 -1.71 0.96 114.58 120.44 1vle h GLU 591 Ca 0.12 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1vle h GLU 591 Cb -0.05 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1vle h GLU 591 CO -0.03 0.26 -0.03 0.82 -1.16 0.00 0.00 179.01 178.87 1vle h ILE 592 N 0.00 1.33 -0.07 3.13 2.04 -0.48 -1.92 117.51 121.53 1vle h ILE 592 Ca -0.00 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.76 1vle h ILE 592 Cb 0.54 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1vle h ILE 592 CO 0.03 0.28 -0.28 1.88 0.00 0.00 0.00 178.15 180.06 1vle h TYR 593 N -0.27 0.13 -0.27 1.37 0.99 -0.82 -1.18 116.97 116.92 1vle h TYR 593 Ca 0.01 -0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.62 1vle h TYR 593 Cb 0.46 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 38.14 1vle h TYR 593 CO 0.07 0.39 -0.26 -0.09 -0.00 0.00 0.00 178.16 178.28 1vle h ARG 594 N 0.11 0.53 -0.16 4.88 2.43 -0.70 0.36 114.38 121.82 1vle h ARG 594 Ca 0.02 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 58.94 1vle h ARG 594 Cb 0.56 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1vle h ARG 594 CO 0.04 0.74 -0.08 1.25 -1.51 0.00 0.00 179.97 180.41 1vle h LEU 595 N 0.46 0.34 -0.86 3.80 5.85 -0.62 -1.71 115.31 122.57 1vle h LEU 595 Ca 0.07 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1vle h LEU 595 Cb 0.69 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1vle h LEU 595 CO 0.05 0.68 0.49 -0.26 -0.34 0.00 0.00 178.44 179.06 1vle h PHE 596 N 0.00 1.17 -0.59 1.25 -1.00 -0.93 -2.24 116.94 114.61 1vle h PHE 596 Ca 0.03 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.82 1vle h PHE 596 Cb 0.55 -0.38 -0.04 0.00 3.61 0.00 0.00 35.95 39.69 1vle h PHE 596 CO 0.07 0.80 0.35 0.00 -1.61 0.00 0.00 178.31 177.92 1vle h ALA 597 N 1.26 0.77 -0.06 2.45 0.00 -0.15 0.65 119.26 124.18 1vle h ALA 597 Ca 0.31 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1vle h ALA 597 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1vle h ALA 597 CO -0.05 0.07 -0.11 -0.22 0.00 0.00 0.00 179.25 178.94 1vle h LYS 598 N 0.69 -0.15 0.00 0.00 3.64 -0.87 0.33 116.57 120.20 1vle h LYS 598 Ca 0.24 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1vle h LYS 598 Cb 0.04 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1vle h LYS 598 CO -0.11 -0.10 0.00 1.63 -2.27 0.00 0.00 179.45 178.60 1vle n LYS 599 N -5.25 0.17 -0.46 1.90 5.02 -0.88 -1.92 118.16 116.74 1vle n LYS 599 Ca -0.04 0.35 0.11 0.00 -2.02 0.00 0.00 58.31 56.70 1vle n LYS 599 Cb 0.17 -1.79 0.33 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.11 4.24 -3.76 -0.35 4.77 0.17 -4.96 117.00 115.01 1vle n LEU 600 Ca 0.03 -2.18 -0.26 0.00 -0.03 0.00 0.00 56.01 53.57 1vle n LEU 600 Cb 0.26 -0.52 0.05 0.00 -2.33 0.00 0.00 43.42 40.88 1vle n LEU 600 CO 0.21 0.91 0.13 -3.20 -1.33 0.00 0.00 177.39 174.11 1vle n ASN 601 N 1.39 -4.60 -0.87 -1.43 5.15 -0.66 -4.88 115.26 109.36 1vle n ASN 601 Ca 0.25 -0.70 0.01 0.00 -0.60 0.00 0.00 54.58 53.53 1vle n ASN 601 Cb 0.72 -4.35 -0.00 0.00 -0.53 0.00 0.00 39.78 35.62 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 -4.69 0.00 -0.17 -1.44 -5.35 0.01 -4.94 119.36 102.78 1vle n ILE 602 Ca -0.04 -0.32 -0.03 0.00 -0.27 0.00 0.00 62.75 62.10 1vle n ILE 602 Cb 0.57 0.59 0.07 0.00 -1.74 0.00 0.00 39.64 39.13 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 0.32 0.40 -0.44 6.28 4.81 -1.79 -1.78 114.58 122.37 1vle h GLU 603 Ca -0.13 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1vle h GLU 603 Cb 1.50 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.76 1vle h GLU 603 CO 0.00 0.26 0.23 1.49 -0.73 0.00 0.00 179.01 180.27 1vle h GLU 604 N 0.41 0.45 -0.62 1.92 4.57 -1.92 0.58 114.58 119.98 1vle h GLU 604 Ca 0.25 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1vle h GLU 604 Cb 0.25 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1vle h GLU 604 CO -0.23 0.30 0.14 0.52 -1.18 0.00 0.00 179.01 178.55 1vle h MET 605 N 0.47 0.97 0.11 1.92 2.86 -1.86 0.11 114.93 119.51 1vle h MET 605 Ca 0.19 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1vle h MET 605 Cb 0.07 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1vle h MET 605 CO -0.12 0.87 -0.05 0.35 1.06 0.00 0.00 176.91 179.02 1vle h PHE 606 N 0.93 -0.14 0.00 -0.22 3.57 -0.90 -3.38 116.94 116.79 1vle h PHE 606 Ca 0.20 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.47 1vle h PHE 606 Cb 0.35 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1vle h PHE 606 CO 0.02 0.28 -1.16 0.66 -2.23 0.00 0.00 178.31 175.88 1vle h SER 607 N -0.95 0.00 -2.71 0.41 4.64 -0.99 -3.47 113.55 110.48 1vle h SER 607 Ca -0.02 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.88 1vle h SER 607 Cb 0.48 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 1vle h SER 607 CO 0.03 0.95 -0.52 -0.62 -0.87 0.00 0.00 176.83 175.80 1vle n GLU 608 N -3.25 -1.65 -1.24 4.77 1.02 0.39 -1.49 120.64 119.19 1vle n GLU 608 Ca -0.04 1.05 -0.08 0.00 -0.02 0.00 0.00 57.16 58.06 1vle n GLU 608 Cb 0.95 -5.68 -0.04 0.00 -0.02 0.00 0.00 31.44 26.66 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 -0.93 1.00 3.55 0.62 0.00 -1.26 -5.02 105.19 103.14 1vle n GLY 609 Ca -0.24 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.52 2.33 0.61 1.61 1.02 -0.56 -5.11 119.74 117.12 1vle s LYS 610 Ca 0.00 -0.85 0.07 0.00 0.02 0.00 0.00 55.97 55.21 1vle s LYS 610 Cb 0.00 -2.37 0.10 0.00 -0.52 0.00 0.00 37.83 35.04 1vle s LYS 610 CO 0.00 0.57 0.84 0.16 -0.92 0.00 0.00 175.35 175.99 1vle s ASP 611 N -1.55 4.92 0.20 2.83 1.47 -1.26 -4.86 116.67 118.42 1vle s ASP 611 Ca 0.17 -0.72 -0.12 0.00 1.18 0.00 0.00 52.55 53.06 1vle s ASP 611 Cb -0.11 0.20 0.23 0.00 -0.34 0.00 0.00 42.92 42.91 1vle s ASP 611 CO 0.08 -1.46 1.68 -0.33 0.68 0.00 0.00 175.17 175.82 1vle h GLU 612 N 0.01 0.13 -0.12 2.11 5.08 -1.99 -1.05 114.58 118.76 1vle h GLU 612 Ca -0.32 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 1vle h GLU 612 Cb 1.28 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1vle h GLU 612 CO 0.41 0.09 -0.05 1.25 -1.00 0.00 0.00 179.01 179.71 1vle h LEU 613 N 0.14 0.15 -0.37 1.33 5.85 -1.95 -0.04 115.31 120.43 1vle h LEU 613 Ca 0.28 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.85 1vle h LEU 613 Cb 0.43 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1vle h LEU 613 CO -0.44 0.23 -0.28 0.00 -0.34 0.00 0.00 178.44 177.60 1vle h ALA 614 N 1.79 0.53 -0.57 1.25 0.00 -1.59 -2.31 119.26 118.36 1vle h ALA 614 Ca 0.04 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1vle h ALA 614 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1vle h ALA 614 CO 0.01 0.55 -0.03 -1.49 0.00 0.00 0.00 179.25 178.28 1vle h TRP 615 N 0.64 1.13 -0.70 0.00 4.06 -0.63 -2.58 115.95 117.87 1vle h TRP 615 Ca 0.07 -0.21 0.08 0.00 2.06 0.00 0.00 58.89 60.89 1vle h TRP 615 Cb 0.86 -0.29 -0.06 0.00 -1.00 0.00 0.00 29.16 28.66 1vle h TRP 615 CO 0.06 1.02 0.36 0.00 -3.56 0.00 0.00 178.44 176.33 1vle h GLU 617 N 0.64 0.19 -0.98 0.00 4.81 -1.29 0.16 114.58 118.11 1vle h GLU 617 Ca 0.33 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1vle h GLU 617 Cb 0.30 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 1vle h GLU 617 CO -0.24 0.38 0.65 0.37 -0.73 0.00 0.00 179.01 179.44 1vle h GLN 618 N -0.04 1.23 0.40 1.92 4.15 -1.04 -1.03 115.11 120.71 1vle h GLN 618 Ca 0.03 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1vle h GLN 618 Cb 0.28 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1vle h GLN 618 CO 0.00 0.81 -0.19 -0.92 -1.93 0.00 0.00 178.83 176.60 1vle h TYR 619 N 1.27 -0.50 -0.65 3.99 3.20 -0.02 -2.74 116.97 121.52 1vle h TYR 619 Ca 0.38 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.37 1vle h TYR 619 Cb -0.04 0.17 -0.12 0.00 1.54 0.00 0.00 36.73 38.27 1vle h TYR 619 CO -0.00 -0.30 -0.10 0.35 -1.64 0.00 0.00 178.16 176.46 1vle h PHE 620 N -0.56 -0.24 0.00 -3.82 3.57 0.05 0.13 116.94 116.07 1vle h PHE 620 Ca -0.06 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1vle h PHE 620 Cb 0.43 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1vle h PHE 620 CO -0.04 -0.25 0.00 -0.91 -2.23 0.00 0.00 178.31 174.88 1vle h ASN 621 N 0.04 0.00 -0.25 0.41 2.35 -1.04 -2.10 115.58 114.98 1vle h ASN 621 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1vle h ASN 621 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1vle h ASN 621 CO -0.63 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.15 1vle n ALA 622 N -1.82 2.48 -3.83 -0.83 0.00 0.45 -4.88 120.51 112.08 1vle n ALA 622 Ca 0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 1vle n ALA 622 Cb 0.19 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 0.40 0.00 1.10 0.00 -2.24 -0.79 -4.70 114.28 108.05 1vle n THR 623 Ca 0.14 -0.37 0.13 0.00 -2.27 0.00 0.00 64.05 61.68 1vle n THR 623 Cb 0.31 -0.18 0.37 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.53 0.54 -0.28 3.42 10.43 -0.51 -4.34 116.55 124.27 1vle n ASP 624 Ca -0.02 -0.32 0.10 0.00 2.57 0.00 0.00 54.79 57.12 1vle n ASP 624 Cb 0.10 0.08 0.25 0.00 1.84 0.00 0.00 41.12 43.40 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 0.32 0.27 -0.32 -1.24 2.86 -1.80 -0.79 114.93 114.23 1vle h MET 625 Ca 0.00 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1vle h MET 625 Cb 0.48 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1vle h MET 625 CO 0.00 0.18 0.70 -1.35 1.06 0.00 0.00 176.91 177.49 1vle h PRO 626 N 0.27 0.00 0.00 -0.22 0.11 -1.76 0.55 132.00 130.96 1vle h PRO 626 Ca 0.50 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.55 1vle h PRO 626 Cb 0.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1vle h PRO 626 CO -0.58 0.00 -0.30 0.87 -0.21 0.00 0.00 178.00 177.78 1vle h LYS 627 N 0.00 0.00 0.00 1.05 1.57 -1.47 -3.33 116.57 114.39 1vle h LYS 627 Ca 0.15 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.59 1vle h LYS 627 Cb 1.55 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.80 1vle h LYS 627 CO -0.00 0.30 -2.22 0.66 -0.57 0.00 0.00 179.45 177.62 1vle n TYR 628 N -3.65 0.00 -3.65 -1.35 4.02 0.19 -5.07 117.16 107.65 1vle n TYR 628 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.76 1vle n TYR 628 Cb 0.42 -0.81 -0.06 0.00 -0.02 0.00 0.00 39.34 38.88 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 -2.42 0.98 0.84 -0.72 0.23 -0.66 -5.12 119.30 112.43 1vle s MET 629 Ca -0.29 -0.51 -0.12 0.00 -1.03 0.00 0.00 55.69 53.74 1vle s MET 629 Cb 0.09 0.43 0.09 0.00 -1.53 0.00 0.00 34.83 33.92 1vle s MET 629 CO 0.46 -0.36 1.14 0.95 -2.03 0.00 0.00 175.02 175.18 1vle s THR 630 N -3.02 2.36 0.13 3.16 -4.23 -1.26 -3.70 115.64 109.08 1vle s THR 630 Ca -0.02 0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.43 1vle s THR 630 Cb 0.00 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 1vle s THR 630 CO -0.06 -0.15 1.79 -0.25 -0.54 0.00 0.00 174.62 175.40 1vle h TRP 631 N -1.19 0.32 -0.82 3.99 2.91 -1.97 -0.43 115.95 118.75 1vle h TRP 631 Ca -0.48 0.01 0.04 0.00 1.13 0.00 0.00 58.89 59.59 1vle h TRP 631 Cb 1.31 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 29.80 1vle h TRP 631 CO 0.35 0.19 0.52 -0.44 -1.03 0.00 0.00 178.44 178.03 1vle h ASP 632 N 0.34 0.84 -0.23 2.65 3.45 -1.98 0.49 116.42 121.98 1vle h ASP 632 Ca 0.10 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.52 1vle h ASP 632 Cb -0.03 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 1vle h ASP 632 CO -0.03 0.57 -0.02 -0.33 -1.57 0.00 0.00 179.24 177.85 1vle h GLU 633 N 0.99 0.42 -0.28 3.56 5.08 -1.85 -1.25 114.58 121.25 1vle h GLU 633 Ca 0.33 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1vle h GLU 633 Cb 0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1vle h GLU 633 CO -0.13 0.63 0.18 0.35 -1.00 0.00 0.00 179.01 179.04 1vle h PHE 634 N 0.17 0.35 -0.69 4.33 3.57 -0.63 0.12 116.94 124.16 1vle h PHE 634 Ca 0.06 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.66 1vle h PHE 634 Cb 0.45 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.01 1vle h PHE 634 CO 0.04 0.22 0.33 0.35 -2.23 0.00 0.00 178.31 177.02 1vle h PHE 635 N 0.37 0.58 -0.35 0.41 3.57 0.07 0.16 116.94 121.76 1vle h PHE 635 Ca 0.10 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 1vle h PHE 635 Cb -0.04 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 1vle h PHE 635 CO -0.06 0.20 -0.34 -0.22 -2.23 0.00 0.00 178.31 175.66 1vle h LYS 636 N 0.56 0.78 -0.03 1.11 3.64 -0.54 -3.23 116.57 118.85 1vle h LYS 636 Ca 0.34 -0.37 -0.25 0.00 -1.27 0.00 0.00 60.65 59.10 1vle h LYS 636 Cb 0.37 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1vle h LYS 636 CO -0.28 1.00 -0.97 -0.22 -2.27 0.00 0.00 179.45 176.72 1vle h LYS 637 N 0.65 0.66 0.00 1.90 3.64 -0.06 -3.48 116.57 119.89 1vle h LYS 637 Ca 0.07 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 1vle h LYS 637 Cb 0.88 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1vle h LYS 637 CO 0.08 1.26 0.00 0.41 -2.27 0.00 0.00 179.45 178.93 1vle n GLY 638 N 0.97 2.75 3.33 5.01 0.00 0.50 -4.97 105.19 112.78 1vle n GLY 638 Ca -0.09 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.71 -0.30 -0.03 1.61 -0.85 -1.26 0.16 117.35 114.98 1vle s TYR 639 Ca 0.00 0.32 0.01 0.00 -0.52 0.00 0.00 57.07 56.88 1vle s TYR 639 Cb 0.00 0.23 0.02 0.00 0.38 0.00 0.00 41.96 42.59 1vle s TYR 639 CO 0.00 -0.56 -0.02 0.12 -1.52 0.00 0.00 175.55 173.57 1vle s PHE 640 N -2.23 0.44 -0.43 -3.49 5.36 0.26 -4.98 117.98 112.91 1vle s PHE 640 Ca -0.07 -0.07 -0.15 0.00 -0.96 0.00 0.00 56.93 55.68 1vle s PHE 640 Cb -0.01 -0.46 0.04 0.00 -0.34 0.00 0.00 43.02 42.25 1vle s PHE 640 CO -0.01 -0.13 0.35 0.08 -1.46 0.00 0.00 175.22 174.05 1vle s VAL 641 N 0.84 5.23 0.24 3.12 1.01 -1.26 -0.88 120.40 128.69 1vle s VAL 641 Ca -0.09 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 1vle s VAL 641 Cb -0.12 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.12 1vle s VAL 641 CO -0.01 -0.41 1.61 0.52 0.00 0.00 0.00 175.10 176.80 1vle n VAL 642 N 5.21 0.54 -0.83 2.92 0.31 -0.42 -4.24 118.33 121.82 1vle n VAL 642 Ca -0.11 -0.14 -0.31 0.00 -0.01 0.00 0.00 64.34 63.78 1vle n VAL 642 Cb 0.46 -1.84 0.16 0.00 -0.91 0.00 0.00 33.84 31.71 1vle n VAL 642 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1vle s PRO 643 N 0.24 1.08 0.48 5.55 0.02 -1.26 -4.64 135.00 136.46 1vle s PRO 643 Ca 0.70 1.35 -0.16 0.00 0.02 0.00 0.00 61.00 62.91 1vle s PRO 643 Cb -0.55 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.14 1vle s PRO 643 CO 0.42 -2.52 0.93 0.34 -0.33 0.00 0.00 177.00 175.84 1vle s ASP 644 N -2.85 6.64 -0.61 2.53 3.68 -1.26 -4.63 116.67 120.17 1vle s ASP 644 Ca 0.66 1.49 0.06 0.00 2.13 0.00 0.00 52.55 56.88 1vle s ASP 644 Cb -0.22 -2.47 0.24 0.00 -1.45 0.00 0.00 42.92 39.02 1vle s ASP 644 CO 0.58 -0.52 0.66 -3.20 0.13 0.00 0.00 175.17 172.83 1vle n ASN 645 N -1.39 3.00 -0.30 -0.34 2.85 -1.26 -4.97 115.26 112.85 1vle n ASN 645 Ca 0.06 -3.27 0.07 0.00 -0.11 0.00 0.00 54.58 51.33 1vle n ASN 645 Cb 0.54 -0.68 0.23 0.00 1.24 0.00 0.00 39.78 41.11 1vle n ASN 645 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1vle h PRO 646 N 4.38 0.61 -0.19 1.20 0.11 -1.95 -2.95 132.00 133.22 1vle h PRO 646 Ca 0.18 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1vle h PRO 646 Cb 0.71 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1vle h PRO 646 CO 0.75 0.41 0.00 0.09 -0.21 0.00 0.00 178.00 179.04 1vle n ASN 647 N -4.86 1.08 -4.75 -2.05 3.02 -1.26 -4.87 115.26 101.56 1vle n ASN 647 Ca 0.17 -1.92 -0.40 0.00 -0.03 0.00 0.00 54.58 52.40 1vle n ASN 647 Cb 0.43 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.43 1vle n ASN 647 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vle s ARG 648 N -1.75 4.55 0.28 3.52 1.70 -1.12 -5.00 118.95 121.14 1vle s ARG 648 Ca 0.17 1.15 -0.30 0.00 -0.47 0.00 0.00 55.73 56.28 1vle s ARG 648 Cb 0.09 -3.33 -0.10 0.00 -0.57 0.00 0.00 34.95 31.04 1vle s ARG 648 CO 0.12 0.38 1.45 -1.59 -1.08 0.00 0.00 175.30 174.59 1vle s LYS 649 N -0.46 4.24 0.07 3.89 -2.85 -1.26 -4.97 119.74 118.40 1vle s LYS 649 Ca 0.38 2.37 -0.29 0.00 -1.00 0.00 0.00 55.97 57.44 1vle s LYS 649 Cb -0.22 -3.07 -0.05 0.00 -2.06 0.00 0.00 37.83 32.43 1vle s LYS 649 CO 0.25 -0.44 0.91 0.15 0.10 0.00 0.00 175.35 176.33 1vle s LYS 650 N -0.78 4.62 -0.39 1.78 -0.14 -1.26 -5.02 119.74 118.55 1vle s LYS 650 Ca 0.58 1.35 0.02 0.00 -1.36 0.00 0.00 55.97 56.55 1vle s LYS 650 Cb -0.43 -3.39 0.12 0.00 -1.68 0.00 0.00 37.83 32.45 1vle s LYS 650 CO 0.48 0.18 0.16 0.95 -0.76 0.00 0.00 175.35 176.36 1vle s THR 651 N 0.17 1.59 0.32 2.17 -4.23 -1.26 -5.11 115.64 109.29 1vle s THR 651 Ca 0.46 -2.30 -0.29 0.00 -1.18 0.00 0.00 61.69 58.38 1vle s THR 651 Cb -0.22 -2.15 -0.10 0.00 1.34 0.00 0.00 72.50 71.37 1vle s THR 651 CO 0.28 -0.76 1.34 -0.69 -0.54 0.00 0.00 174.62 174.24 1vle s VAL 652 N 0.73 2.67 0.10 2.29 1.01 -1.26 -4.34 120.40 121.59 1vle s VAL 652 Ca 0.14 0.66 -0.36 0.00 0.00 0.00 0.00 61.98 62.41 1vle s VAL 652 Cb -0.22 -3.42 -0.16 0.00 0.00 0.00 0.00 36.38 32.58 1vle s VAL 652 CO -0.08 0.15 1.35 0.00 0.00 0.00 0.00 175.10 176.51 1vle n ALA 653 N 1.02 -0.80 -1.13 5.51 0.00 -0.51 -1.84 120.51 122.74 1vle n ALA 653 Ca 0.01 0.51 -0.07 0.00 0.00 0.00 0.00 53.44 53.89 1vle n ALA 653 Cb 0.41 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.74 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 2.55 0.08 0.07 0.00 4.77 -1.26 -4.45 117.00 118.77 1vle n LEU 654 Ca 0.18 0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 56.25 1vle n LEU 654 Cb 0.20 -2.41 0.05 0.00 -2.33 0.00 0.00 43.42 38.92 1vle n LEU 654 CO 0.62 -0.93 0.36 -0.09 -1.33 0.00 0.00 177.39 176.02 1vle h ARG 655 N 0.00 0.28 -0.71 3.23 2.43 -1.50 -1.37 114.38 116.74 1vle h ARG 655 Ca -0.14 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1vle h ARG 655 Cb 1.02 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 1vle h ARG 655 CO 0.20 0.90 0.41 0.11 -1.51 0.00 0.00 179.97 180.08 1vle h TRP 656 N 0.19 0.95 -0.23 2.20 5.08 -1.88 -0.09 115.95 122.17 1vle h TRP 656 Ca -0.03 -0.01 -0.12 0.00 1.08 0.00 0.00 58.89 59.81 1vle h TRP 656 Cb 1.30 -0.31 -0.00 0.00 -3.00 0.00 0.00 29.16 27.15 1vle h TRP 656 CO 0.03 0.64 -0.33 0.35 -1.28 0.00 0.00 178.44 177.85 1vle h PHE 657 N 0.99 0.78 -0.48 0.12 3.57 -1.73 0.12 116.94 120.31 1vle h PHE 657 Ca 0.25 -0.26 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1vle h PHE 657 Cb -0.01 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1vle h PHE 657 CO 0.00 1.00 0.20 0.00 -2.23 0.00 0.00 178.31 177.29 1vle h ALA 658 N 0.64 1.47 -0.49 2.41 0.00 -0.71 -1.91 119.26 120.67 1vle h ALA 658 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1vle h ALA 658 Cb 0.92 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1vle h ALA 658 CO 0.08 0.42 0.00 0.39 0.00 0.00 0.00 179.25 180.13 1vle n GLU 659 N -4.37 2.17 -2.46 0.00 1.02 -0.10 -4.95 120.64 111.96 1vle n GLU 659 Ca 0.04 -1.82 -0.18 0.00 -0.02 0.00 0.00 57.16 55.17 1vle n GLU 659 Cb 0.14 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.31 -0.50 2.46 0.62 0.00 -0.67 -4.99 105.19 103.42 1vle n GLY 660 Ca 0.17 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.01 1.04 -2.12 1.61 1.85 0.33 -4.95 116.66 111.40 1vle n ARG 661 Ca -0.20 -2.33 -0.40 0.00 -1.00 0.00 0.00 57.85 53.92 1vle n ARG 661 Cb 0.66 0.39 -0.02 0.00 -1.05 0.00 0.00 32.46 32.45 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 -3.38 4.20 0.14 2.89 8.01 -1.26 -4.47 118.70 124.83 1vle s GLU 662 Ca 0.13 2.15 -0.34 0.00 0.01 0.00 0.00 54.97 56.91 1vle s GLU 662 Cb -0.01 -2.93 -0.14 0.00 -4.31 0.00 0.00 34.13 26.74 1vle s GLU 662 CO 0.08 -0.29 1.53 1.17 0.01 0.00 0.00 175.26 177.76 1vle n LYS 663 N 0.51 1.95 0.00 1.61 0.00 -1.04 -4.84 118.16 116.35 1vle n LYS 663 Ca 0.02 0.70 0.00 0.00 0.00 0.00 0.00 58.31 59.03 1vle n LYS 663 Cb 0.43 -2.45 0.00 0.00 0.00 0.00 0.00 35.03 33.01 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 3.28 0.86 -4.65 3.14 5.75 -1.26 -5.08 116.55 118.59 1vle n ASP 664 Ca 0.17 -1.23 -0.26 0.00 -0.01 0.00 0.00 54.79 53.47 1vle n ASP 664 Cb 0.27 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.47 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 -0.23 2.19 -2.02 2.12 -4.23 -1.26 -4.94 115.64 107.27 1vle s THR 665 Ca 0.00 -0.35 0.07 0.00 -1.18 0.00 0.00 61.69 60.23 1vle s THR 665 Cb 0.00 -2.84 0.19 0.00 1.34 0.00 0.00 72.50 71.19 1vle s THR 665 CO 0.00 0.00 1.22 -2.65 -0.54 0.00 0.00 174.62 172.65 1vle n PRO 666 N -3.05 1.17 -1.38 3.99 -0.02 -1.26 -4.93 135.00 129.53 1vle n PRO 666 Ca 0.12 -0.27 -0.36 0.00 -2.02 0.00 0.00 63.50 60.97 1vle n PRO 666 Cb 0.60 -1.13 0.08 0.00 -0.02 0.00 0.00 33.50 33.03 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 -0.35 0.19 -0.77 2.55 2.03 -1.26 -4.87 116.55 114.07 1vle n ASP 667 Ca 0.06 0.67 0.03 0.00 0.52 0.00 0.00 54.79 56.07 1vle n ASP 667 Cb 0.08 -1.37 0.12 0.00 -0.72 0.00 0.00 41.12 39.23 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 -2.37 0.54 -3.82 -0.67 7.02 -1.26 -4.89 117.44 112.00 1vle n TRP 668 Ca 0.13 -0.20 -0.01 0.00 -1.02 0.00 0.00 57.50 56.39 1vle n TRP 668 Cb 0.49 -0.16 0.01 0.00 -2.42 0.00 0.00 31.31 29.23 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 -0.49 -0.14 0.71 6.99 0.00 -1.26 -4.68 107.32 108.46 1vle s GLY 669 Ca 0.17 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.86 1vle s GLY 669 CO 0.07 2.07 1.07 2.56 0.00 0.00 0.00 173.10 178.87 1vle s PRO 670 N -2.42 2.80 0.43 2.90 0.04 -1.26 -5.06 135.00 132.43 1vle s PRO 670 Ca 0.20 0.81 -0.24 0.00 0.04 0.00 0.00 61.00 61.81 1vle s PRO 670 Cb -0.00 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1vle s PRO 670 CO 0.01 -1.16 1.18 1.03 0.04 0.00 0.00 177.00 178.10 1vle s ARG 671 N -5.11 3.90 0.33 4.56 0.52 -1.26 -4.90 118.95 116.99 1vle s ARG 671 Ca 0.58 1.84 0.12 0.00 -0.52 0.00 0.00 55.73 57.75 1vle s ARG 671 Cb -0.13 -2.56 1.04 0.00 0.52 0.00 0.00 34.95 33.81 1vle s ARG 671 CO 0.54 -0.45 1.63 -0.07 0.02 0.00 0.00 175.30 176.98 1vle h LEU 672 N 2.36 0.25 -1.05 2.53 3.38 -1.99 0.44 115.31 121.23 1vle h LEU 672 Ca -0.49 0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1vle h LEU 672 Cb 1.24 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1vle h LEU 672 CO 0.61 -0.24 0.00 -0.55 0.09 0.00 0.00 178.44 178.36 1vle h ASN 673 N 0.19 0.00 -0.46 -0.43 7.08 -2.03 -2.68 115.58 117.25 1vle h ASN 673 Ca 0.71 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.93 1vle h ASN 673 Cb 1.65 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.88 1vle h ASN 673 CO -0.69 0.00 0.00 0.59 -2.08 0.00 0.00 177.43 175.25 1vle n ASN 674 N -2.54 4.73 -4.01 6.14 5.03 0.15 -4.91 115.26 119.86 1vle n ASN 674 Ca 0.01 -2.74 -0.09 0.00 0.87 0.00 0.00 54.58 52.63 1vle n ASN 674 Cb 0.24 -0.65 -0.08 0.00 -1.02 0.00 0.00 39.78 38.27 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 -2.39 0.99 -0.27 3.52 -0.21 -1.01 -4.25 119.66 116.03 1vle s GLN 675 Ca 0.43 -1.22 -0.04 0.00 0.02 0.00 0.00 55.36 54.55 1vle s GLN 675 Cb 0.33 0.32 0.02 0.00 1.00 0.00 0.00 33.01 34.67 1vle s GLN 675 CO 0.12 -0.32 0.01 0.08 -2.12 0.00 0.00 175.29 173.06 1vle s VAL 676 N -3.97 3.44 -1.44 1.09 1.01 -1.24 -4.51 120.40 114.78 1vle s VAL 676 Ca 0.16 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1vle s VAL 676 Cb 0.05 -2.75 0.05 0.00 0.00 0.00 0.00 36.38 33.73 1vle s VAL 676 CO -0.02 0.15 1.00 0.00 0.00 0.00 0.00 175.10 176.23 1vle n ARG 678 N -4.69 -0.89 -4.18 0.00 1.85 -1.26 -4.82 116.66 102.68 1vle n ARG 678 Ca -0.03 0.10 -0.19 0.00 -1.00 0.00 0.00 57.85 56.73 1vle n ARG 678 Cb 0.56 -3.86 -0.12 0.00 -1.05 0.00 0.00 32.46 28.00 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 -7.36 0.84 0.00 2.89 1.02 -1.00 -2.50 119.74 113.63 1vle s LYS 679 Ca 0.21 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1vle s LYS 679 Cb -0.12 -0.86 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 1vle s LYS 679 CO 1.01 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 176.04 1vle n GLY 680 N 1.27 -0.71 3.82 -3.33 0.00 -1.26 -3.63 105.19 101.34 1vle n GLY 680 Ca -0.21 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.04 2.12 0.45 0.99 1.43 -0.30 -4.89 118.68 115.43 1vle s LEU 681 Ca 0.00 0.67 0.31 0.00 -1.03 0.00 0.00 54.13 54.08 1vle s LEU 681 Cb 0.00 -2.86 1.36 0.00 0.03 0.00 0.00 46.19 44.72 1vle s LEU 681 CO 0.00 -2.72 1.92 -0.61 0.23 0.00 0.00 176.35 175.17 1vle h GLN 682 N -1.62 0.00 -7.08 1.70 4.15 -1.76 -3.38 115.11 107.12 1vle h GLN 682 Ca -0.47 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.41 1vle h GLN 682 Cb 1.30 0.00 0.19 0.00 0.21 0.00 0.00 27.48 29.18 1vle h GLN 682 CO 0.52 0.00 0.11 0.25 -1.93 0.00 0.00 178.83 177.77 1vle n THR 683 N -2.75 1.50 -0.03 2.39 -2.24 -1.26 -4.84 114.28 107.05 1vle n THR 683 Ca 0.00 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 1vle n THR 683 Cb 0.23 -1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 67.39 1vle n THR 683 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1vle h THR 684 N -1.04 0.26 0.00 4.28 2.02 -1.91 -0.46 112.91 116.07 1vle h THR 684 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1vle h THR 684 Cb 1.30 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1vle h THR 684 CO 0.43 0.00 0.00 0.71 0.37 0.00 0.00 175.52 177.03 1vle h THR 685 N -0.36 0.00 0.00 3.16 1.35 -1.92 -3.46 112.91 111.67 1vle h THR 685 Ca 0.11 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1vle h THR 685 Cb 0.55 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1vle h THR 685 CO -0.41 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.47 1vle n GLY 686 N 0.20 0.69 3.74 5.82 0.00 -0.18 -4.94 105.19 110.51 1vle n GLY 686 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.20 2.14 -0.36 1.61 1.02 -1.26 -1.16 119.74 121.54 1vle s LYS 687 Ca 0.00 -2.25 -0.29 0.00 0.02 0.00 0.00 55.97 53.45 1vle s LYS 687 Cb 0.00 -1.64 0.01 0.00 -0.52 0.00 0.00 37.83 35.68 1vle s LYS 687 CO 0.00 -0.29 1.27 0.08 -0.92 0.00 0.00 175.35 175.50 1vle s VAL 688 N -2.81 4.14 -0.61 3.17 1.01 -0.36 -4.74 120.40 120.19 1vle s VAL 688 Ca 0.18 1.24 -0.19 0.00 0.00 0.00 0.00 61.98 63.21 1vle s VAL 688 Cb 0.04 -4.28 0.10 0.00 0.00 0.00 0.00 36.38 32.24 1vle s VAL 688 CO 0.10 -0.64 0.75 -1.61 0.00 0.00 0.00 175.10 173.70 1vle s GLU 689 N 4.35 3.07 0.54 2.72 2.02 0.48 -0.58 118.70 131.30 1vle s GLU 689 Ca 0.55 -1.29 0.35 0.00 0.02 0.00 0.00 54.97 54.60 1vle s GLU 689 Cb -0.14 -4.28 1.64 0.00 0.10 0.00 0.00 34.13 31.45 1vle s GLU 689 CO 0.26 -1.58 2.05 0.74 0.02 0.00 0.00 175.26 176.75 1vle h PHE 690 N 9.21 0.00 -3.35 1.61 -1.00 -1.56 -3.25 116.94 118.60 1vle h PHE 690 Ca -0.28 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 59.89 1vle h PHE 690 Cb 1.08 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.24 1vle h PHE 690 CO 0.86 0.00 -0.74 0.42 -1.61 0.00 0.00 178.31 177.25 1vle s ILE 691 N -3.77 1.51 -0.16 -0.55 1.01 -1.25 -1.38 121.20 116.61 1vle s ILE 691 Ca -0.01 -1.93 -0.29 0.00 0.00 0.00 0.00 60.65 58.43 1vle s ILE 691 Cb 0.10 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 1vle s ILE 691 CO 0.47 -0.67 1.90 0.00 0.00 0.00 0.00 174.94 176.63 1vle s ALA 692 N 1.17 3.17 0.36 9.38 0.00 0.75 -4.87 121.76 131.72 1vle s ALA 692 Ca 0.11 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.89 1vle s ALA 692 Cb -0.19 -3.92 0.67 0.00 0.00 0.00 0.00 23.12 19.68 1vle s ALA 692 CO -0.16 -2.13 2.01 1.79 0.00 0.00 0.00 175.76 177.27 1vle h THR 693 N 6.34 1.16 0.29 0.00 1.35 -1.89 0.10 112.91 120.26 1vle h THR 693 Ca -0.40 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.12 1vle h THR 693 Cb 1.20 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1vle h THR 693 CO 0.97 0.16 -0.14 0.77 -0.25 0.00 0.00 175.52 177.03 1vle h SER 694 N 0.77 -0.33 0.09 5.36 4.64 -1.90 -0.57 113.55 121.62 1vle h SER 694 Ca 0.21 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.45 1vle h SER 694 Cb -0.05 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1vle h SER 694 CO -0.04 -0.20 -0.17 -0.07 -0.87 0.00 0.00 176.83 175.48 1vle h LEU 695 N -0.44 0.16 -0.48 5.97 3.38 -1.80 -1.26 115.31 120.84 1vle h LEU 695 Ca -0.04 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1vle h LEU 695 Cb 0.34 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1vle h LEU 695 CO 0.07 0.36 0.12 0.50 0.09 0.00 0.00 178.44 179.57 1vle h LYS 696 N 0.16 0.76 -0.15 1.13 3.64 -0.46 0.14 116.57 121.80 1vle h LYS 696 Ca 0.03 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1vle h LYS 696 Cb 0.41 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1vle h LYS 696 CO 0.03 0.74 0.10 -0.91 -2.27 0.00 0.00 179.45 177.14 1vle h ASN 697 N 0.64 0.18 -0.20 4.20 -0.26 -0.58 -0.45 115.58 119.11 1vle h ASN 697 Ca 0.15 -0.01 0.05 0.00 -0.56 0.00 0.00 56.30 55.93 1vle h ASN 697 Cb 0.32 -0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 37.47 1vle h ASN 697 CO 0.00 0.13 -0.20 0.15 -1.06 0.00 0.00 177.43 176.46 1vle h PHE 698 N 0.20 -0.51 -0.18 1.19 3.57 -0.83 0.12 116.94 120.51 1vle h PHE 698 Ca 0.06 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1vle h PHE 698 Cb -0.02 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1vle h PHE 698 CO -0.07 -0.27 -0.34 1.05 -2.23 0.00 0.00 178.31 176.45 1vle h GLU 699 N -0.21 0.37 0.00 1.11 4.11 -0.84 -1.62 114.58 117.49 1vle h GLU 699 Ca 0.12 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1vle h GLU 699 Cb 0.40 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1vle h GLU 699 CO -0.33 0.66 0.00 0.93 0.07 0.00 0.00 179.01 180.35 1vle h GLU 700 N 0.32 0.00 -0.01 1.06 5.08 -0.32 -0.75 114.58 119.96 1vle h GLU 700 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1vle h GLU 700 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1vle h GLU 700 CO 0.06 0.00 -0.03 1.04 -1.00 0.00 0.00 179.01 179.08 1vle n GLN 701 N -2.58 1.17 0.00 2.33 6.02 0.36 -4.90 117.38 119.77 1vle n GLN 701 Ca 0.02 -0.40 0.00 0.00 -0.01 0.00 0.00 57.00 56.61 1vle n GLN 701 Cb 0.30 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.07 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 1.13 0.48 3.16 1.08 0.00 -0.29 -5.02 105.19 105.73 1vle n GLY 702 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.37 3.98 -2.45 1.61 4.02 -1.03 -4.96 117.16 116.96 1vle n TYR 703 Ca 0.00 -3.01 -0.43 0.00 -0.01 0.00 0.00 57.90 54.45 1vle n TYR 703 Cb 0.00 -2.24 -0.02 0.00 -0.02 0.00 0.00 39.34 37.06 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 1.85 4.32 -0.35 -0.72 -1.09 -1.26 -4.14 121.20 119.81 1vle s ILE 704 Ca 0.44 1.60 0.01 0.00 -2.23 0.00 0.00 60.65 60.47 1vle s ILE 704 Cb 0.05 -4.03 0.11 0.00 -1.58 0.00 0.00 42.46 37.01 1vle s ILE 704 CO 0.00 -0.13 0.13 -0.62 -1.23 0.00 0.00 174.94 173.10 1vle s ASP 705 N 1.86 4.02 0.32 3.58 -1.08 -1.26 -5.01 116.67 119.10 1vle s ASP 705 Ca 0.54 -1.99 0.07 0.00 -0.52 0.00 0.00 52.55 50.65 1vle s ASP 705 Cb -0.21 -1.02 0.77 0.00 -1.46 0.00 0.00 42.92 41.00 1vle s ASP 705 CO 0.15 -0.37 1.80 -0.08 0.52 0.00 0.00 175.17 177.19 1vle h GLU 706 N 7.63 0.72 -0.41 4.34 4.81 -2.02 -1.15 114.58 128.51 1vle h GLU 706 Ca -0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1vle h GLU 706 Cb 0.99 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1vle h GLU 706 CO 0.48 0.48 0.00 0.72 -0.73 0.00 0.00 179.01 179.96 1vle n HIS 707 N -4.70 0.40 -2.96 0.92 8.25 -1.26 -4.10 115.22 111.78 1vle n HIS 707 Ca 0.22 -0.17 -0.15 0.00 -0.26 0.00 0.00 57.72 57.36 1vle n HIS 707 Cb 0.56 -0.07 0.01 0.00 1.12 0.00 0.00 29.99 31.61 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 0.18 0.85 -2.34 -0.41 0.63 -0.43 -4.78 116.66 110.35 1vle n ARG 708 Ca 0.08 -2.54 -0.35 0.00 -0.92 0.00 0.00 57.85 54.12 1vle n ARG 708 Cb 0.29 -1.35 -0.01 0.00 0.45 0.00 0.00 32.46 31.84 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 -0.58 3.51 0.47 -0.14 0.04 -1.24 -4.75 135.00 132.33 1vle s PRO 709 Ca 0.32 1.55 0.12 0.00 0.04 0.00 0.00 61.00 63.04 1vle s PRO 709 Cb 0.25 -2.06 1.10 0.00 0.04 0.00 0.00 34.50 33.83 1vle s PRO 709 CO -0.13 -0.70 2.10 0.66 0.04 0.00 0.00 177.00 178.97 1vle h SER 710 N 1.37 0.18 -3.05 6.66 4.64 -1.89 -3.40 113.55 118.05 1vle h SER 710 Ca -0.50 -0.01 -0.62 0.00 -0.47 0.00 0.00 61.79 60.20 1vle h SER 710 Cb 1.25 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 63.21 1vle h SER 710 CO 0.58 0.14 -0.38 -0.32 -0.87 0.00 0.00 176.83 175.98 1vle s MET 711 N -5.19 3.95 -0.13 4.77 -2.45 -1.26 -0.18 119.30 118.80 1vle s MET 711 Ca -0.06 0.02 -0.29 0.00 -1.25 0.00 0.00 55.69 54.10 1vle s MET 711 Cb 0.17 -3.32 -0.05 0.00 1.25 0.00 0.00 34.83 32.88 1vle s MET 711 CO 0.70 0.49 1.82 -1.58 1.05 0.00 0.00 175.02 177.49 1vle s HIS 712 N -0.25 1.71 0.34 4.11 2.46 -0.48 -4.94 115.29 118.23 1vle s HIS 712 Ca 0.16 0.24 0.07 0.00 0.47 0.00 0.00 55.06 56.00 1vle s HIS 712 Cb -0.13 -4.02 -0.03 0.00 -0.13 0.00 0.00 32.58 28.27 1vle s HIS 712 CO 0.04 -3.93 0.26 0.95 -2.47 0.00 0.00 174.74 169.59 1vle s THR 713 N 5.42 0.06 -1.08 0.89 -4.23 -1.26 -5.04 115.64 110.41 1vle s THR 713 Ca 0.81 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 59.16 1vle s THR 713 Cb -0.32 -2.48 0.15 0.00 1.34 0.00 0.00 72.50 71.19 1vle s THR 713 CO 0.33 0.00 1.30 -0.47 -0.54 0.00 0.00 174.62 175.25 1vle s TYR 714 N -3.43 3.28 -0.28 3.99 5.04 -1.26 -4.92 117.35 119.78 1vle s TYR 714 Ca 0.39 -1.75 -0.24 0.00 -2.44 0.00 0.00 57.07 53.02 1vle s TYR 714 Cb 0.02 -4.32 -0.00 0.00 0.35 0.00 0.00 41.96 38.01 1vle s TYR 714 CO 0.26 -1.46 0.82 0.08 -1.34 0.00 0.00 175.55 173.91 1vle s VAL 715 N 2.24 4.79 0.22 3.14 1.01 -1.26 -4.99 120.40 125.55 1vle s VAL 715 Ca 0.39 1.36 -0.32 0.00 0.00 0.00 0.00 61.98 63.41 1vle s VAL 715 Cb -0.03 -4.15 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 1vle s VAL 715 CO -0.04 -0.20 1.59 -2.65 0.00 0.00 0.00 175.10 173.80 1vle n PRO 716 N 6.17 2.44 -1.69 2.72 -0.02 -1.26 -4.87 135.00 138.48 1vle n PRO 716 Ca 0.05 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 61.97 1vle n PRO 716 Cb 0.48 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 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 2.93 2.10 0.34 3.55 0.00 -1.26 -4.86 120.51 123.31 1vle n ALA 717 Ca 0.13 0.33 0.04 0.00 0.00 0.00 0.00 53.44 53.95 1vle n ALA 717 Cb 0.33 -2.56 0.20 0.00 0.00 0.00 0.00 19.45 17.42 1vle n ALA 717 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1vle n TRP 718 N 5.36 0.00 -3.32 0.00 4.27 -1.26 -3.04 117.44 119.45 1vle n TRP 718 Ca 0.18 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.54 1vle n TRP 718 Cb 0.36 -0.42 -0.08 0.00 -1.36 0.00 0.00 31.31 29.81 1vle n TRP 718 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 1vle n GLU 719 N -1.42 1.23 -4.30 -2.67 4.07 -1.26 -4.54 120.64 111.75 1vle n GLU 719 Ca 0.03 -3.70 -0.16 0.00 -0.06 0.00 0.00 57.16 53.27 1vle n GLU 719 Cb 0.09 -1.62 -0.10 0.00 -0.06 0.00 0.00 31.44 29.75 1vle n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1vle s SER 720 N -1.43 2.06 0.39 4.31 1.04 -1.17 -4.43 113.70 114.47 1vle s SER 720 Ca 0.36 -1.05 0.09 0.00 0.48 0.00 0.00 55.95 55.82 1vle s SER 720 Cb 0.14 -0.05 0.78 0.00 0.10 0.00 0.00 66.02 66.99 1vle s SER 720 CO -0.10 -0.31 1.93 1.56 0.98 0.00 0.00 173.24 177.31 1vle h GLN 721 N 2.65 0.31 -0.00 4.02 4.20 -1.92 -2.45 115.11 121.92 1vle h GLN 721 Ca -0.37 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1vle h GLN 721 Cb 1.21 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1vle h GLN 721 CO 0.63 0.39 -0.89 0.36 -0.67 0.00 0.00 178.83 178.65 1vle n LYS 722 N -4.31 0.66 -0.03 1.46 2.85 -1.26 -4.63 118.16 112.91 1vle n LYS 722 Ca -0.00 -0.03 -0.01 0.00 -1.05 0.00 0.00 58.31 57.21 1vle n LYS 722 Cb 0.23 -1.41 -0.06 0.00 -0.65 0.00 0.00 35.03 33.15 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 -1.41 0.00 -2.87 5.58 8.25 -1.22 -5.02 115.22 118.53 1vle n HIS 723 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 1vle n HIS 723 Cb 0.30 -0.31 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 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 -3.61 7.41 0.54 0.41 0.15 -0.93 -4.94 113.70 112.72 1vle s SER 724 Ca -0.03 1.67 0.25 0.00 0.70 0.00 0.00 55.95 58.54 1vle s SER 724 Cb 0.03 -2.53 1.52 0.00 -1.71 0.00 0.00 66.02 63.33 1vle s SER 724 CO 0.31 0.06 2.15 -0.65 1.20 0.00 0.00 173.24 176.31 1vle h PRO 725 N 5.07 0.00 0.00 5.44 0.11 -1.89 -1.80 132.00 138.93 1vle h PRO 725 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1vle h PRO 725 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1vle h PRO 725 CO 0.69 0.06 -0.14 -0.07 -0.21 0.00 0.00 178.00 178.34 1vle h LEU 726 N 0.00 0.00 -2.06 2.35 4.07 -1.92 -3.04 115.31 114.71 1vle h LEU 726 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1vle h LEU 726 Cb 0.14 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 1vle h LEU 726 CO 0.01 0.14 -0.04 0.00 -1.08 0.00 0.00 178.44 177.46 1vle h ALA 727 N 1.86 1.77 -0.99 1.53 0.00 -1.49 0.10 119.26 122.03 1vle h ALA 727 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1vle h ALA 727 Cb 0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1vle h ALA 727 CO 0.02 0.05 0.66 0.28 0.00 0.00 0.00 179.25 180.26 1vle h VAL 728 N 0.00 1.24 0.11 0.00 2.07 -1.72 -2.88 116.25 115.07 1vle h VAL 728 Ca -0.00 -0.46 -0.35 0.00 0.82 0.00 0.00 66.70 66.71 1vle h VAL 728 Cb 0.08 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.62 1vle h VAL 728 CO 0.01 0.24 -1.91 0.11 0.02 0.00 0.00 177.57 176.04 1vle h LYS 729 N 1.33 0.23 -3.29 1.57 1.57 -1.56 -3.43 116.57 112.98 1vle h LYS 729 Ca 0.37 -0.39 -0.63 0.00 -1.87 0.00 0.00 60.65 58.13 1vle h LYS 729 Cb -0.12 0.15 -0.41 0.00 0.08 0.00 0.00 32.23 31.92 1vle h LYS 729 CO -0.09 1.09 -0.62 0.71 -0.57 0.00 0.00 179.45 179.98 1vle s TYR 730 N -2.57 3.25 0.10 -1.35 2.02 0.28 -4.80 117.35 114.27 1vle s TYR 730 Ca -0.18 -3.20 0.33 0.00 -0.37 0.00 0.00 57.07 53.65 1vle s TYR 730 Cb 0.07 -2.76 1.34 0.00 -0.40 0.00 0.00 41.96 40.21 1vle s TYR 730 CO 0.79 -0.69 1.98 -1.00 -1.57 0.00 0.00 175.55 175.06 1vle h PRO 731 N 6.22 0.00 -5.87 -1.71 0.13 -1.56 -3.36 132.00 125.85 1vle h PRO 731 Ca -0.02 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.54 1vle h PRO 731 Cb 0.86 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.92 1vle h PRO 731 CO 0.69 0.01 0.00 -0.51 -0.23 0.00 0.00 178.00 177.96 1vle s LEU 732 N -6.21 4.28 -0.22 1.56 1.43 -0.45 -4.94 118.68 114.12 1vle s LEU 732 Ca 0.01 1.00 -0.19 0.00 -1.03 0.00 0.00 54.13 53.92 1vle s LEU 732 Cb 0.09 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 1vle s LEU 732 CO 0.55 -0.09 0.55 -0.83 0.23 0.00 0.00 176.35 176.76 1vle s GLY 733 N 0.77 1.97 -0.09 -3.19 0.00 -0.61 -0.92 107.32 105.25 1vle s GLY 733 Ca 0.32 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.61 1vle s GLY 733 CO 0.14 1.21 -0.11 -0.29 0.00 0.00 0.00 173.10 174.05 1vle s MET 734 N 1.99 2.97 0.08 2.90 1.75 0.59 -0.12 119.30 129.46 1vle s MET 734 Ca 0.24 -0.64 0.09 0.00 -1.25 0.00 0.00 55.69 54.14 1vle s MET 734 Cb -0.16 -2.57 -0.03 0.00 2.84 0.00 0.00 34.83 34.91 1vle s MET 734 CO 0.09 0.46 -0.24 -0.48 -0.65 0.00 0.00 175.02 174.20 1vle s LEU 735 N -0.28 2.34 -0.43 4.11 2.34 -0.96 -2.29 118.68 123.51 1vle s LEU 735 Ca 0.03 -0.61 0.06 0.00 0.06 0.00 0.00 54.13 53.67 1vle s LEU 735 Cb -0.13 -1.33 0.22 0.00 -0.56 0.00 0.00 46.19 44.38 1vle s LEU 735 CO 0.03 0.23 0.46 -1.54 -1.06 0.00 0.00 176.35 174.47 1vle n SER 736 N 1.38 0.26 -3.20 1.48 3.41 -1.26 -2.70 113.62 113.00 1vle n SER 736 Ca -0.17 -2.63 -0.26 0.00 -0.26 0.00 0.00 58.87 55.55 1vle n SER 736 Cb 0.52 -0.61 0.25 0.00 -0.26 0.00 0.00 64.21 64.11 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 1.96 -4.34 -2.46 4.33 -0.02 -1.26 -3.78 135.00 129.43 1vle n PRO 737 Ca 0.25 -1.25 -0.40 0.00 -2.02 0.00 0.00 63.50 60.08 1vle n PRO 737 Cb 0.50 -1.58 -0.04 0.00 -0.02 0.00 0.00 33.50 32.35 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 -1.98 3.55 0.20 6.00 3.76 -1.26 -1.11 115.29 124.45 1vle s HIS 738 Ca 0.57 1.69 -0.32 0.00 -0.15 0.00 0.00 55.06 56.84 1vle s HIS 738 Cb -0.10 -3.30 -0.14 0.00 1.11 0.00 0.00 32.58 30.15 1vle s HIS 738 CO 0.47 -0.62 1.35 -0.35 -0.85 0.00 0.00 174.74 174.74 1vle n PRO 739 N 1.16 1.72 -0.03 8.40 -0.04 -1.26 -4.83 135.00 140.11 1vle n PRO 739 Ca -0.01 0.61 -0.12 0.00 -0.04 0.00 0.00 63.50 63.94 1vle n PRO 739 Cb 0.45 -2.23 -0.07 0.00 -0.04 0.00 0.00 33.50 31.60 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 4.16 0.18 -0.91 0.54 9.65 -1.93 -3.30 114.38 122.77 1vle h ARG 740 Ca -0.45 -0.07 -0.46 0.00 -1.10 0.00 0.00 59.98 57.91 1vle h ARG 740 Cb 1.30 -0.01 -0.27 0.00 -1.39 0.00 0.00 29.97 29.60 1vle h ARG 740 CO 0.75 0.49 0.54 1.19 2.80 0.00 0.00 179.97 185.75 1vle n PHE 741 N -4.78 2.80 -3.54 2.20 3.01 -1.26 -4.87 117.46 111.02 1vle n PHE 741 Ca -0.06 -1.77 -0.16 0.00 1.01 0.00 0.00 57.45 56.46 1vle n PHE 741 Cb 0.23 -0.88 -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 -1.42 -0.63 -1.08 4.37 0.15 -1.24 -4.31 113.70 109.53 1vle s SER 742 Ca 0.55 0.77 -0.14 0.00 0.70 0.00 0.00 55.95 57.83 1vle s SER 742 Cb 0.47 0.62 0.19 0.00 -1.71 0.00 0.00 66.02 65.60 1vle s SER 742 CO 0.10 -0.53 1.22 -0.32 1.20 0.00 0.00 173.24 174.91 1vle s MET 743 N -0.97 3.96 7.76 5.44 1.75 -1.14 -4.43 119.30 131.67 1vle s MET 743 Ca -0.08 -2.54 0.00 0.00 -1.25 0.00 0.00 55.69 51.82 1vle s MET 743 Cb -0.01 -4.84 0.00 0.00 2.84 0.00 0.00 34.83 32.82 1vle s MET 743 CO 0.08 -1.59 0.00 0.72 -0.65 0.00 0.00 175.02 173.57 1vle n HIS 744 N 4.98 0.00 0.20 4.11 8.25 -1.26 -2.03 115.22 129.47 1vle n HIS 744 Ca 0.28 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.82 1vle n HIS 744 Cb 0.44 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.87 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 0.66 -0.78 1.59 1.35 -1.88 -3.41 112.91 110.45 1vle h THR 745 Ca 0.00 -1.44 -0.50 0.00 -0.55 0.00 0.00 66.41 63.92 1vle h THR 745 Cb 0.00 1.95 -0.07 0.00 -1.73 0.00 0.00 68.15 68.31 1vle h THR 745 CO 0.00 0.30 1.48 -0.04 -0.25 0.00 0.00 175.52 177.01 1vle s MET 746 N -3.47 3.23 0.00 4.72 -1.94 -0.86 -2.99 119.30 118.00 1vle s MET 746 Ca 0.02 -1.29 0.00 0.00 -1.71 0.00 0.00 55.69 52.71 1vle s MET 746 Cb 0.09 -5.34 0.00 0.00 2.01 0.00 0.00 34.83 31.60 1vle s MET 746 CO 0.67 -2.93 0.00 0.41 -0.01 0.00 0.00 175.02 173.16 1vle n GLY 747 N 6.08 1.99 3.82 -0.03 0.00 -1.26 -2.88 105.19 112.90 1vle n GLY 747 Ca 0.43 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 5.71 0.96 1.61 2.15 -1.16 -4.68 116.67 121.26 1vle s ASP 748 Ca 0.00 1.69 0.00 0.00 0.43 0.00 0.00 52.55 54.67 1vle s ASP 748 Cb 0.00 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1vle s ASP 748 CO 0.00 -1.22 0.00 0.61 -0.17 0.00 0.00 175.17 174.39 1vle n GLY 749 N -1.56 1.54 2.15 2.66 0.00 -1.26 -4.74 105.19 103.97 1vle n GLY 749 Ca 0.08 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 3.97 -1.39 -2.80 1.61 5.02 -1.26 -0.86 118.16 122.45 1vle n LYS 750 Ca 0.00 0.85 -0.18 0.00 -2.02 0.00 0.00 58.31 56.96 1vle n LYS 750 Cb 0.00 -5.15 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 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 -0.77 -4.39 -4.89 4.39 5.15 -1.26 -4.39 115.26 109.10 1vle n ASN 751 Ca -0.15 -0.07 -0.29 0.00 -0.60 0.00 0.00 54.58 53.47 1vle n ASN 751 Cb 0.49 -3.66 0.08 0.00 -0.53 0.00 0.00 39.78 36.17 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 -2.34 4.68 0.36 1.20 1.04 -0.04 -4.93 113.70 113.67 1vle s SER 752 Ca 0.17 0.90 0.07 0.00 0.48 0.00 0.00 55.95 57.56 1vle s SER 752 Cb -0.08 -1.48 0.68 0.00 0.10 0.00 0.00 66.02 65.24 1vle s SER 752 CO 0.21 -1.81 1.88 1.88 0.98 0.00 0.00 173.24 176.38 1vle h TYR 753 N -0.98 0.38 -0.20 5.02 0.05 -1.87 -2.95 116.97 116.41 1vle h TYR 753 Ca -0.46 -0.04 0.06 0.00 0.05 0.00 0.00 58.73 58.33 1vle h TYR 753 Cb 1.31 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.93 1vle h TYR 753 CO 0.36 0.46 0.20 0.52 -1.05 0.00 0.00 178.16 178.65 1vle h MET 754 N 0.35 0.00 0.00 4.88 2.86 -1.87 -0.88 114.93 120.27 1vle h MET 754 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1vle h MET 754 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1vle h MET 754 CO 0.02 0.00 0.00 -0.91 1.06 0.00 0.00 176.91 177.08 1vle h ASN 755 N 0.00 0.00 0.03 1.22 2.35 -1.82 -1.13 115.58 116.23 1vle h ASN 755 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1vle h ASN 755 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1vle h ASN 755 CO -0.00 0.00 -0.05 -1.22 -1.65 0.00 0.00 177.43 174.51 1vle n TYR 756 N -2.49 0.00 -2.25 1.19 4.02 -0.33 -4.38 117.16 112.92 1vle n TYR 756 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1vle n TYR 756 Cb 0.12 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.40 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 -2.09 3.99 0.30 -0.72 1.01 -0.43 -4.90 121.20 118.35 1vle s ILE 757 Ca 0.35 1.19 0.01 0.00 0.00 0.00 0.00 60.65 62.20 1vle s ILE 757 Cb 0.21 -3.78 0.41 0.00 0.01 0.00 0.00 42.46 39.30 1vle s ILE 757 CO 0.37 -0.12 1.57 0.11 0.00 0.00 0.00 174.94 176.87 1vle h LYS 758 N 8.85 0.01 -0.86 2.79 1.57 -1.89 0.47 116.57 127.51 1vle h LYS 758 Ca -0.32 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.24 1vle h LYS 758 Cb 1.13 -0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.31 1vle h LYS 758 CO 0.97 0.01 0.28 -3.47 -0.57 0.00 0.00 179.45 176.67 1vle n ASP 759 N -5.49 4.07 -0.02 0.86 2.03 -1.26 -4.27 116.55 112.47 1vle n ASP 759 Ca 0.22 -3.01 -0.06 0.00 0.52 0.00 0.00 54.79 52.46 1vle n ASP 759 Cb 0.74 -0.71 -0.02 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.21 0.00 -3.93 -0.67 -0.00 0.15 -4.96 115.22 105.59 1vle n HIS 760 Ca 0.35 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.43 1vle n HIS 760 Cb 1.22 -0.25 -0.12 0.00 -0.12 0.00 0.00 29.99 30.72 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 -2.24 0.24 -0.16 1.57 0.52 -1.18 -3.77 118.95 113.93 1vle s ARG 761 Ca -0.11 -0.39 -0.00 0.00 -0.52 0.00 0.00 55.73 54.70 1vle s ARG 761 Cb 0.03 0.09 -0.00 0.00 0.52 0.00 0.00 34.95 35.59 1vle s ARG 761 CO 0.15 -0.04 -0.14 0.08 0.02 0.00 0.00 175.30 175.37 1vle s VAL 762 N -1.01 2.78 0.03 3.52 1.01 0.34 -4.64 120.40 122.43 1vle s VAL 762 Ca -0.11 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.86 1vle s VAL 762 Cb -0.07 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1vle s VAL 762 CO -0.00 0.51 0.90 -0.70 0.00 0.00 0.00 175.10 175.80 1vle s GLU 763 N 0.84 4.57 -0.18 2.72 2.12 -1.26 -0.14 118.70 127.38 1vle s GLU 763 Ca -0.04 1.29 -0.05 0.00 0.36 0.00 0.00 54.97 56.53 1vle s GLU 763 Cb -0.15 -3.42 0.07 0.00 0.26 0.00 0.00 34.13 30.89 1vle s GLU 763 CO -0.00 0.10 0.14 0.08 -0.54 0.00 0.00 175.26 175.04 1vle s VAL 764 N 0.52 -0.18 -1.09 3.70 1.01 0.83 -4.88 120.40 120.31 1vle s VAL 764 Ca 0.46 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1vle s VAL 764 Cb -0.21 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.57 1vle s VAL 764 CO 0.26 -0.24 0.94 0.47 0.00 0.00 0.00 175.10 176.53 1vle n ASP 765 N 5.30 -4.47 0.00 3.32 8.00 -1.26 -2.85 116.55 124.59 1vle n ASP 765 Ca -0.06 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1vle n ASP 765 Cb 0.49 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.29 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 -1.55 2.31 3.50 0.44 0.00 -1.26 -5.02 105.19 103.61 1vle n GLY 766 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.74 2.92 -0.51 1.61 5.04 -1.13 -5.07 117.35 117.46 1vle s TYR 767 Ca 0.00 -0.23 -0.20 0.00 -2.44 0.00 0.00 57.07 54.20 1vle s TYR 767 Cb 0.00 -1.81 0.05 0.00 0.35 0.00 0.00 41.96 40.55 1vle s TYR 767 CO 0.00 0.09 0.69 0.15 -1.34 0.00 0.00 175.55 175.14 1vle s LYS 768 N -0.18 3.17 0.22 4.97 1.02 -1.26 -0.12 119.74 127.55 1vle s LYS 768 Ca 0.02 -0.76 -0.14 0.00 0.02 0.00 0.00 55.97 55.11 1vle s LYS 768 Cb -0.13 -4.09 -0.08 0.00 -0.52 0.00 0.00 37.83 33.02 1vle s LYS 768 CO 0.03 -1.27 0.63 0.71 -0.92 0.00 0.00 175.35 174.53 1vle s TYR 769 N 2.89 3.52 0.54 3.18 1.51 0.80 -4.77 117.35 125.03 1vle s TYR 769 Ca 0.18 1.12 -0.20 0.00 -1.01 0.00 0.00 57.07 57.17 1vle s TYR 769 Cb -0.18 -2.43 -0.06 0.00 -0.11 0.00 0.00 41.96 39.18 1vle s TYR 769 CO 0.13 0.30 1.14 -0.46 -1.11 0.00 0.00 175.55 175.55 1vle s TRP 770 N -1.68 2.65 -0.02 2.71 -0.11 -1.26 -0.51 118.94 120.72 1vle s TRP 770 Ca 0.45 1.54 -0.09 0.00 1.22 0.00 0.00 56.10 59.22 1vle s TRP 770 Cb -0.13 -3.32 -0.05 0.00 -1.50 0.00 0.00 33.47 28.47 1vle s TRP 770 CO 0.20 -1.64 0.28 0.42 -4.62 0.00 0.00 176.95 171.58 1vle s ILE 771 N -1.74 5.28 -0.09 5.86 1.01 -1.25 -0.81 121.20 129.47 1vle s ILE 771 Ca 0.73 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.74 1vle s ILE 771 Cb -0.25 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1vle s ILE 771 CO 0.28 0.48 -0.07 -0.32 0.00 0.00 0.00 174.94 175.31 1vle s MET 772 N -1.42 1.31 0.00 2.79 -2.45 -0.82 -4.42 119.30 114.30 1vle s MET 772 Ca 0.24 -0.21 -0.20 0.00 -1.25 0.00 0.00 55.69 54.27 1vle s MET 772 Cb -0.14 -1.34 -0.06 0.00 1.25 0.00 0.00 34.83 34.54 1vle s MET 772 CO 0.12 -0.19 0.56 1.03 1.05 0.00 0.00 175.02 177.60 1vle s ARG 773 N 1.42 4.26 -0.03 4.11 0.52 0.92 -0.73 118.95 129.43 1vle s ARG 773 Ca -0.01 0.68 0.02 0.00 -0.52 0.00 0.00 55.73 55.90 1vle s ARG 773 Cb -0.13 -3.32 0.01 0.00 0.52 0.00 0.00 34.95 32.03 1vle s ARG 773 CO -0.04 0.43 -0.06 0.08 0.02 0.00 0.00 175.30 175.73 1vle s VAL 774 N -0.37 0.54 0.24 3.52 1.01 -0.26 -2.27 120.40 122.80 1vle s VAL 774 Ca 0.30 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1vle s VAL 774 Cb -0.18 -0.52 -0.10 0.00 0.00 0.00 0.00 36.38 35.58 1vle s VAL 774 CO 0.17 0.19 1.45 0.21 0.00 0.00 0.00 175.10 177.12 1vle s ASN 775 N 0.44 6.64 0.35 3.32 3.84 -1.26 -0.50 114.94 127.79 1vle s ASN 775 Ca -0.06 2.66 0.16 0.00 0.21 0.00 0.00 52.86 55.83 1vle s ASN 775 Cb -0.10 -2.62 1.18 0.00 -0.55 0.00 0.00 41.25 39.17 1vle s ASN 775 CO 0.00 -0.72 1.60 0.77 -2.79 0.00 0.00 177.10 175.96 1vle h SER 776 N 5.23 0.21 -0.63 -4.21 4.64 -1.75 0.48 113.55 117.53 1vle h SER 776 Ca -0.46 0.25 -0.05 0.00 -0.47 0.00 0.00 61.79 61.06 1vle h SER 776 Cb 1.22 0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 63.56 1vle h SER 776 CO 0.79 -0.36 0.20 0.40 -0.87 0.00 0.00 176.83 176.99 1vle h ILE 777 N 0.07 1.25 -0.08 0.95 2.04 -1.89 0.29 117.51 120.13 1vle h ILE 777 Ca 0.78 -0.85 -0.17 0.00 1.00 0.00 0.00 64.86 65.61 1vle h ILE 777 Cb 1.94 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1vle h ILE 777 CO -0.76 0.33 -0.69 0.44 0.00 0.00 0.00 178.15 177.46 1vle h ASP 778 N 0.91 0.45 -0.11 1.72 3.32 -1.31 -2.22 116.42 119.19 1vle h ASP 778 Ca 0.20 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1vle h ASP 778 Cb 0.30 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1vle h ASP 778 CO -0.01 1.01 0.01 0.00 -1.72 0.00 0.00 179.24 178.53 1vle h ALA 779 N 0.99 0.15 -0.59 3.45 0.00 -1.08 -2.85 119.26 119.33 1vle h ALA 779 Ca -0.02 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1vle h ALA 779 Cb 1.25 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1vle h ALA 779 CO 0.12 -0.19 0.39 1.49 0.00 0.00 0.00 179.25 181.06 1vle h GLU 780 N -0.05 0.76 0.00 0.00 4.22 -0.93 0.36 114.58 118.95 1vle h GLU 780 Ca 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1vle h GLU 780 Cb 0.31 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1vle h GLU 780 CO 0.00 0.50 0.00 0.00 -2.18 0.00 0.00 179.01 177.34 1vle h ALA 781 N 1.22 1.00 -0.21 2.92 0.00 -1.32 -1.06 119.26 121.81 1vle h ALA 781 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1vle h ALA 781 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1vle h ALA 781 CO -0.05 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.74 1vle n ARG 782 N -2.74 2.85 -2.03 0.00 1.74 -0.62 -4.96 116.66 110.91 1vle n ARG 782 Ca -0.02 -1.95 -0.20 0.00 -0.77 0.00 0.00 57.85 54.91 1vle n ARG 782 Cb 0.09 -1.23 -0.04 0.00 -1.02 0.00 0.00 32.46 30.26 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 0.02 0.59 3.68 -0.13 0.00 -0.40 -4.64 105.19 104.32 1vle n GLY 783 Ca 0.09 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.88 5.14 0.20 -0.61 1.01 0.12 -4.98 121.20 119.19 1vle s ILE 784 Ca 0.00 0.93 0.08 0.00 0.00 0.00 0.00 60.65 61.67 1vle s ILE 784 Cb 0.00 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1vle s ILE 784 CO 0.00 0.23 -0.02 -0.54 0.00 0.00 0.00 174.94 174.61 1vle s LYS 785 N 1.26 2.29 0.05 2.79 1.02 -1.26 -4.17 119.74 121.71 1vle s LYS 785 Ca 0.24 -1.21 -0.34 0.00 0.02 0.00 0.00 55.97 54.68 1vle s LYS 785 Cb -0.15 -2.27 -0.13 0.00 -0.52 0.00 0.00 37.83 34.76 1vle s LYS 785 CO 0.10 0.43 1.72 -1.71 -0.92 0.00 0.00 175.35 174.96 1vle n ASN 786 N -0.24 3.25 0.00 2.83 2.85 -1.26 -1.68 115.26 121.01 1vle n ASN 786 Ca -0.09 1.03 0.00 0.00 -0.11 0.00 0.00 54.58 55.41 1vle n ASN 786 Cb 0.56 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 40.18 1vle n ASN 786 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1vle n GLY 787 N 3.86 3.14 3.76 8.20 0.00 -0.51 -5.00 105.19 118.64 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 -0.69 5.15 -0.04 1.61 1.01 -0.67 -4.55 116.67 118.48 1vle s ASP 788 Ca 0.00 2.27 -0.24 0.00 0.71 0.00 0.00 52.55 55.29 1vle s ASP 788 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1vle s ASP 788 CO 0.00 -1.61 0.74 -0.76 0.21 0.00 0.00 175.17 173.75 1vle s LEU 789 N -4.30 4.35 0.33 1.23 1.43 -1.26 -0.95 118.68 119.52 1vle s LEU 789 Ca 0.74 1.29 0.08 0.00 -1.03 0.00 0.00 54.13 55.21 1vle s LEU 789 Cb -0.27 -3.16 -0.06 0.00 0.03 0.00 0.00 46.19 42.72 1vle s LEU 789 CO 0.35 -0.11 -0.05 0.27 0.23 0.00 0.00 176.35 177.04 1vle s ILE 790 N 0.66 1.92 -0.28 -0.59 -4.36 0.16 -1.14 121.20 117.57 1vle s ILE 790 Ca 0.39 -2.13 0.03 0.00 -0.26 0.00 0.00 60.65 58.68 1vle s ILE 790 Cb -0.19 -2.65 0.07 0.00 1.25 0.00 0.00 42.46 40.94 1vle s ILE 790 CO 0.20 -0.18 -0.07 -0.60 0.24 0.00 0.00 174.94 174.53 1vle s ARG 791 N -3.69 2.06 -0.06 0.37 3.52 0.04 -0.99 118.95 120.20 1vle s ARG 791 Ca 0.32 -1.48 -0.19 0.00 -0.13 0.00 0.00 55.73 54.26 1vle s ARG 791 Cb 0.05 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.41 1vle s ARG 791 CO 0.15 -0.66 0.51 0.00 -0.81 0.00 0.00 175.30 174.49 1vle s ALA 792 N 1.06 3.51 0.24 6.12 0.00 -0.52 -2.96 121.76 129.21 1vle s ALA 792 Ca -0.04 -0.11 -0.20 0.00 0.00 0.00 0.00 51.96 51.61 1vle s ALA 792 Cb -0.20 -2.64 0.03 0.00 0.00 0.00 0.00 23.12 20.31 1vle s ALA 792 CO -0.06 0.14 0.64 1.52 0.00 0.00 0.00 175.76 178.00 1vle s TYR 793 N 0.06 -0.18 0.00 0.00 -0.85 -0.41 -1.10 117.35 114.86 1vle s TYR 793 Ca 0.28 -0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 1vle s TYR 793 Cb -0.16 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.75 1vle s TYR 793 CO 0.13 -1.08 0.00 0.27 -1.52 0.00 0.00 175.55 173.35 1vle n ASN 794 N -0.42 0.00 0.28 -0.18 0.23 -1.07 -1.61 115.26 112.50 1vle n ASN 794 Ca -0.07 -0.49 0.15 0.00 -0.53 0.00 0.00 54.58 53.64 1vle n ASN 794 Cb 0.61 0.00 0.85 0.00 -2.08 0.00 0.00 39.78 39.16 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 1.46 0.53 3.32 -1.95 -3.01 116.42 116.77 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 0.06 -0.33 0.03 -1.72 0.00 0.00 179.24 177.28 1vle h ARG 796 N 0.00 0.00 0.00 3.56 3.08 -1.89 -3.49 114.38 115.63 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 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1vle h ARG 796 CO 0.01 0.33 0.00 0.41 -1.07 0.00 0.00 179.97 179.65 1vle n GLY 797 N 0.94 -1.07 2.90 0.04 0.00 -1.14 -4.77 105.19 102.09 1vle n GLY 797 Ca 0.02 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 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 -4.00 0.23 -0.05 1.61 0.01 -1.26 -2.60 113.70 107.64 1vle s SER 798 Ca 0.00 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.25 1vle s SER 798 Cb 0.00 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.21 1vle s SER 798 CO 0.00 0.02 -0.10 -0.69 0.41 0.00 0.00 173.24 172.88 1vle s VAL 799 N 0.01 0.90 -0.07 3.43 1.01 -0.26 -1.72 120.40 123.69 1vle s VAL 799 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 1vle s VAL 799 Cb -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1vle s VAL 799 CO -0.00 0.30 0.58 -0.63 0.00 0.00 0.00 175.10 175.34 1vle s ILE 800 N 0.58 5.08 0.07 2.22 -1.09 -0.02 -1.43 121.20 126.61 1vle s ILE 800 Ca -0.11 1.18 -0.05 0.00 -2.23 0.00 0.00 60.65 59.45 1vle s ILE 800 Cb -0.14 -3.92 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 1vle s ILE 800 CO 0.02 0.32 0.08 -0.76 -1.23 0.00 0.00 174.94 173.37 1vle s LEU 801 N 0.48 1.95 -0.20 2.97 1.43 -0.17 -4.54 118.68 120.60 1vle s LEU 801 Ca 0.31 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.42 1vle s LEU 801 Cb -0.17 0.62 -0.04 0.00 0.03 0.00 0.00 46.19 46.64 1vle s LEU 801 CO 0.14 -0.66 0.46 0.00 0.23 0.00 0.00 176.35 176.52 1vle s ALA 802 N -3.87 3.55 0.29 4.21 0.00 0.01 0.38 121.76 126.32 1vle s ALA 802 Ca 0.06 -0.47 -0.28 0.00 0.00 0.00 0.00 51.96 51.27 1vle s ALA 802 Cb 0.06 -2.74 -0.09 0.00 0.00 0.00 0.00 23.12 20.35 1vle s ALA 802 CO -0.10 -0.40 0.98 0.00 0.00 0.00 0.00 175.76 176.24 1vle s ALA 803 N 1.53 3.28 -0.36 0.00 0.00 -0.12 -1.95 121.76 124.13 1vle s ALA 803 Ca 0.22 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.83 1vle s ALA 803 Cb -0.15 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 19.85 1vle s ALA 803 CO 0.09 0.10 0.11 -1.14 0.00 0.00 0.00 175.76 174.92 1vle s GLN 804 N -1.66 1.23 0.08 0.00 0.74 0.10 -1.43 119.66 118.72 1vle s GLN 804 Ca 0.46 -1.68 -0.31 0.00 0.05 0.00 0.00 55.36 53.88 1vle s GLN 804 Cb -0.24 -2.67 -0.08 0.00 1.10 0.00 0.00 33.01 31.13 1vle s GLN 804 CO 0.30 -1.00 1.48 0.08 -0.55 0.00 0.00 175.29 175.59 1vle s VAL 805 N 0.96 3.24 0.26 1.34 1.01 -1.26 -1.11 120.40 124.86 1vle s VAL 805 Ca 0.12 0.81 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 1vle s VAL 805 Cb -0.20 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1vle s VAL 805 CO -0.12 0.03 0.31 0.28 0.00 0.00 0.00 175.10 175.60 1vle s THR 806 N 1.75 0.00 -1.08 3.92 -1.32 0.35 -4.89 115.64 114.37 1vle s THR 806 Ca 0.67 -1.77 0.09 0.00 -1.21 0.00 0.00 61.69 59.48 1vle s THR 806 Cb -0.37 -2.46 0.06 0.00 -1.51 0.00 0.00 72.50 68.22 1vle s THR 806 CO 0.30 0.00 0.75 -0.62 -2.21 0.00 0.00 174.62 172.84 1vle n GLU 807 N -0.41 0.67 -0.18 7.08 -0.58 -1.26 -1.95 120.64 124.00 1vle n GLU 807 Ca 0.02 -0.95 -0.03 0.00 -0.42 0.00 0.00 57.16 55.78 1vle n GLU 807 Cb 0.63 -1.15 0.03 0.00 -0.57 0.00 0.00 31.44 30.39 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 -0.49 0.08 0.36 0.00 1.43 -1.26 -1.53 118.68 117.28 1vle s LEU 809 Ca 0.09 0.94 -0.27 0.00 -1.03 0.00 0.00 54.13 53.86 1vle s LEU 809 Cb 0.07 1.74 -0.09 0.00 0.03 0.00 0.00 46.19 47.94 1vle s LEU 809 CO 0.02 -0.22 1.22 -1.58 0.23 0.00 0.00 176.35 176.02 1vle s GLN 810 N 0.09 4.21 0.13 1.70 0.74 -1.25 -4.73 119.66 120.54 1vle s GLN 810 Ca -0.01 1.99 -0.35 0.00 0.05 0.00 0.00 55.36 57.04 1vle s GLN 810 Cb -0.03 -2.87 -0.16 0.00 1.10 0.00 0.00 33.01 31.04 1vle s GLN 810 CO 0.01 -0.23 1.31 -2.30 -0.55 0.00 0.00 175.29 173.54 1vle n PRO 811 N 0.45 1.31 0.00 1.67 -0.02 -1.26 -1.37 135.00 135.78 1vle n PRO 811 Ca 0.02 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1vle n PRO 811 Cb 0.44 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.44 0.26 3.29 -1.23 0.00 -1.26 -5.07 105.19 103.61 1vle n GLY 812 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 2.27 0.19 2.61 2.01 -0.47 -1.57 115.64 118.67 1vle s THR 813 Ca 0.00 -0.98 0.10 0.00 0.31 0.00 0.00 61.69 61.12 1vle s THR 813 Cb 0.00 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1vle s THR 813 CO 0.00 0.56 -0.15 0.68 -0.69 0.00 0.00 174.62 175.03 1vle s VAL 814 N -0.02 2.89 -0.01 3.82 -7.23 0.83 -4.37 120.40 116.31 1vle s VAL 814 Ca -0.07 -1.80 0.03 0.00 -1.81 0.00 0.00 61.98 58.33 1vle s VAL 814 Cb -0.15 -2.42 -0.00 0.00 0.56 0.00 0.00 36.38 34.37 1vle s VAL 814 CO 0.05 -0.11 -0.09 -2.28 -0.31 0.00 0.00 175.10 172.36 1vle s HIS 815 N -1.70 0.85 -0.30 2.82 5.04 -0.96 -2.27 115.29 118.77 1vle s HIS 815 Ca 0.23 -0.18 -0.07 0.00 -1.54 0.00 0.00 55.06 53.51 1vle s HIS 815 Cb -0.08 -0.57 0.15 0.00 0.04 0.00 0.00 32.58 32.12 1vle s HIS 815 CO 0.13 -0.04 0.66 0.45 -2.34 0.00 0.00 174.74 173.60 1vle s SER 816 N -0.08 -1.19 0.70 9.88 0.15 -1.10 -0.06 113.70 122.01 1vle s SER 816 Ca 0.01 1.27 -0.16 0.00 0.70 0.00 0.00 55.95 57.77 1vle s SER 816 Cb -0.05 2.21 -0.01 0.00 -1.71 0.00 0.00 66.02 66.46 1vle s SER 816 CO -0.00 -0.23 0.91 -1.22 1.20 0.00 0.00 173.24 173.90 1vle n TYR 817 N 5.42 0.49 -2.71 3.44 0.53 -1.26 -4.16 117.16 118.91 1vle n TYR 817 Ca -0.08 0.40 0.00 0.00 -1.02 0.00 0.00 57.90 57.20 1vle n TYR 817 Cb 0.50 -2.07 0.00 0.00 -1.03 0.00 0.00 39.34 36.74 1vle n TYR 817 CO 0.00 0.00 0.00 -0.85 -1.02 0.00 0.00 176.86 174.99 1vle n GLU 818 N -1.57 1.67 -1.12 -0.72 -0.00 -0.27 -4.70 120.64 113.94 1vle n GLU 818 Ca 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 57.25 1vle n GLU 818 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.91 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 -2.00 -4.03 -4.64 -1.84 7.64 -0.51 -4.06 113.62 104.18 1vle n SER 819 Ca 0.00 0.10 -0.47 0.00 1.01 0.00 0.00 58.87 59.51 1vle n SER 819 Cb 0.00 -1.89 -0.03 0.00 -1.01 0.00 0.00 64.21 61.28 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 1.98 3.40 -2.65 0.00 0.00 -1.26 -4.20 120.51 117.78 1vle n ALA 821 Ca 0.14 -0.35 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 1vle n ALA 821 Cb 0.28 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 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 -3.11 5.09 -0.38 0.00 1.01 -1.26 -3.07 120.40 118.68 1vle s VAL 822 Ca 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 1vle s VAL 822 Cb 0.15 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 33.05 1vle s VAL 822 CO 0.75 0.10 0.18 -0.47 0.00 0.00 0.00 175.10 175.65 1vle s TYR 823 N 1.70 3.32 -0.55 5.22 5.04 -1.26 -3.86 117.35 126.96 1vle s TYR 823 Ca 0.06 -1.55 0.04 0.00 -2.44 0.00 0.00 57.07 53.19 1vle s TYR 823 Cb -0.17 -2.63 0.17 0.00 0.35 0.00 0.00 41.96 39.68 1vle s TYR 823 CO 0.09 -0.80 0.40 0.34 -1.34 0.00 0.00 175.55 174.25 1vle s ASP 824 N 1.72 3.24 0.28 4.32 -1.08 -1.26 -4.78 116.67 119.11 1vle s ASP 824 Ca 0.01 -3.40 -0.30 0.00 -0.52 0.00 0.00 52.55 48.34 1vle s ASP 824 Cb -0.21 -1.06 -0.11 0.00 -1.46 0.00 0.00 42.92 40.09 1vle s ASP 824 CO 0.02 -0.14 1.48 -2.84 0.52 0.00 0.00 175.17 174.21 1vle s PRO 825 N -0.63 4.22 0.29 4.34 0.02 -1.26 -1.53 135.00 140.44 1vle s PRO 825 Ca 0.28 2.40 0.25 0.00 0.02 0.00 0.00 61.00 63.95 1vle s PRO 825 Cb -0.03 -3.06 0.58 0.00 0.02 0.00 0.00 34.50 32.01 1vle s PRO 825 CO -0.17 -0.47 1.66 -0.07 -0.33 0.00 0.00 177.00 177.63 1vle h LEU 826 N 4.58 0.00 0.00 -5.54 3.38 -1.16 -3.44 115.31 113.14 1vle h LEU 826 Ca -0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 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 0.75 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.90 1vle n GLY 827 N 1.23 5.57 3.76 0.83 0.00 -1.26 -4.95 105.19 110.38 1vle n GLY 827 Ca 0.05 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 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 2.13 2.36 0.30 2.61 2.01 -1.26 -4.34 115.64 119.44 1vle s THR 828 Ca 0.00 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 1vle s THR 828 Cb 0.00 -3.22 -0.12 0.00 0.01 0.00 0.00 72.50 69.17 1vle s THR 828 CO 0.00 0.07 1.49 0.00 -0.69 0.00 0.00 174.62 175.49 1vle n ALA 829 N 1.24 1.98 -0.81 7.40 0.00 -1.26 -1.75 120.51 127.31 1vle n ALA 829 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1vle n ALA 829 Cb 0.40 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 1.77 0.43 0.00 0.00 0.00 -1.26 -4.74 105.19 101.39 1vle n GLY 830 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.74 -0.13 -4.34 1.61 5.02 -0.71 -4.82 118.16 113.05 1vle n LYS 831 Ca 0.00 -0.34 -0.19 0.00 -2.02 0.00 0.00 58.31 55.76 1vle n LYS 831 Cb 0.07 -0.72 -0.09 0.00 -0.02 0.00 0.00 35.03 34.27 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 -0.07 1.62 0.42 4.39 1.04 -1.03 -1.88 113.70 118.19 1vle s SER 832 Ca 0.00 -1.59 -0.25 0.00 0.48 0.00 0.00 55.95 54.59 1vle s SER 832 Cb 0.00 0.42 -0.08 0.00 0.10 0.00 0.00 66.02 66.46 1vle s SER 832 CO 0.00 -0.92 1.26 0.00 0.98 0.00 0.00 173.24 174.56 1vle s ALA 833 N -3.57 3.16 -0.08 5.32 0.00 0.16 -4.70 121.76 122.05 1vle s ALA 833 Ca 0.35 1.14 -0.02 0.00 0.00 0.00 0.00 51.96 53.44 1vle s ALA 833 Cb 0.04 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1vle s ALA 833 CO 0.19 -0.79 -0.00 0.34 0.00 0.00 0.00 175.76 175.50 1vle s ASP 834 N -0.92 5.22 0.00 0.00 2.15 -0.70 -0.60 116.67 121.82 1vle s ASP 834 Ca 0.59 0.14 0.10 0.00 0.43 0.00 0.00 52.55 53.80 1vle s ASP 834 Cb -0.35 -1.46 0.11 0.00 -0.30 0.00 0.00 42.92 40.91 1vle s ASP 834 CO 0.45 0.38 0.87 -2.11 -0.17 0.00 0.00 175.17 174.59 1vle n ARG 835 N 2.13 0.76 -0.17 4.34 1.85 -0.58 -0.84 116.66 124.14 1vle n ARG 835 Ca -0.19 -1.22 -0.09 0.00 -1.00 0.00 0.00 57.85 55.35 1vle n ARG 835 Cb 0.54 -1.19 0.04 0.00 -1.05 0.00 0.00 32.46 30.80 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 1.86 1.07 0.00 2.89 0.00 -1.72 -3.42 103.07 103.75 1vle h GLY 836 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1vle h GLY 836 CO 0.00 0.77 0.00 0.61 0.00 0.00 0.00 176.54 177.92 1vle n GLY 837 N -0.34 1.75 3.58 4.60 0.00 -1.25 -4.37 105.19 109.16 1vle n GLY 837 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 6.31 0.47 0.00 0.00 1.08 -1.87 -2.35 117.51 121.15 1vle h ILE 839 Ca 0.23 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1vle h ILE 839 Cb 0.94 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 1vle h ILE 839 CO 1.27 0.01 0.00 0.59 -0.69 0.00 0.00 178.15 179.33 1vle n ASN 840 N -3.73 0.00 0.13 1.72 3.02 -1.26 -1.04 115.26 114.10 1vle n ASN 840 Ca -0.03 -0.49 0.01 0.00 -0.03 0.00 0.00 54.58 54.04 1vle n ASN 840 Cb 0.10 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.37 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 1.15 0.00 2.41 2.04 -1.65 -1.07 117.51 120.39 1vle h ILE 841 Ca 0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1vle h ILE 841 Cb 0.00 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1vle h ILE 841 CO 0.00 0.59 -1.16 0.18 0.00 0.00 0.00 178.15 177.76 1vle n LEU 842 N -3.42 0.65 -4.78 1.44 4.77 -0.21 -4.23 117.00 111.22 1vle n LEU 842 Ca 0.00 0.20 -0.36 0.00 -0.03 0.00 0.00 56.01 55.83 1vle n LEU 842 Cb 0.70 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 1vle n LEU 842 CO 0.41 -0.11 0.78 0.42 -1.33 0.00 0.00 177.39 177.57 1vle s THR 843 N -3.35 3.33 0.16 -5.08 -4.23 -1.24 -4.80 115.64 100.43 1vle s THR 843 Ca -0.01 0.93 -0.31 0.00 -1.18 0.00 0.00 61.69 61.12 1vle s THR 843 Cb 0.11 -3.43 -0.09 0.00 1.34 0.00 0.00 72.50 70.44 1vle s THR 843 CO 0.81 -0.09 1.42 -2.16 -0.54 0.00 0.00 174.62 174.06 1vle s PRO 844 N -2.92 4.30 0.00 3.99 0.04 -1.26 -0.71 135.00 138.43 1vle s PRO 844 Ca 0.66 2.17 0.26 0.00 0.04 0.00 0.00 61.00 64.12 1vle s PRO 844 Cb -0.24 -3.20 0.56 0.00 0.04 0.00 0.00 34.50 31.66 1vle s PRO 844 CO 0.29 -0.44 1.46 -0.40 0.04 0.00 0.00 177.00 177.95 1vle n ASP 845 N 3.52 2.18 -4.75 6.66 3.85 -1.26 -4.41 116.55 122.33 1vle n ASP 845 Ca 0.10 -1.68 -0.41 0.00 -0.71 0.00 0.00 54.79 52.10 1vle n ASP 845 Cb 0.41 0.05 -0.03 0.00 -1.35 0.00 0.00 41.12 40.21 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 -2.08 4.38 0.70 0.11 3.52 -1.26 -4.97 118.95 119.35 1vle s ARG 846 Ca 0.31 2.13 -0.16 0.00 -0.13 0.00 0.00 55.73 57.87 1vle s ARG 846 Cb 0.20 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.47 1vle s ARG 846 CO 0.35 -0.22 1.25 0.71 -0.81 0.00 0.00 175.30 176.58 1vle s TYR 847 N -0.40 2.01 0.30 5.12 4.12 -1.26 -4.37 117.35 122.87 1vle s TYR 847 Ca 0.54 1.56 0.06 0.00 0.02 0.00 0.00 57.07 59.24 1vle s TYR 847 Cb -0.38 -3.59 0.75 0.00 -1.52 0.00 0.00 41.96 37.22 1vle s TYR 847 CO 0.44 -2.82 1.76 0.82 0.02 0.00 0.00 175.55 175.77 1vle h ILE 848 N 0.03 0.66 -3.35 2.71 2.04 -1.21 -3.44 117.51 114.96 1vle h ILE 848 Ca -0.49 -0.24 -0.20 0.00 1.00 0.00 0.00 64.86 64.93 1vle h ILE 848 Cb 1.32 -0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1vle h ILE 848 CO 0.51 0.13 -0.15 -1.54 0.00 0.00 0.00 178.15 177.10 1vle n SER 849 N -4.82 -0.68 -0.22 1.72 3.41 -1.12 -4.93 113.62 106.97 1vle n SER 849 Ca 0.23 -2.17 -0.02 0.00 -0.26 0.00 0.00 58.87 56.64 1vle n SER 849 Cb 0.60 1.34 0.17 0.00 -0.26 0.00 0.00 64.21 66.06 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 1.02 0.00 4.33 3.64 -1.91 -3.30 116.57 120.35 1vle h LYS 850 Ca -0.15 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1vle h LYS 850 Cb 0.70 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1vle h LYS 850 CO 0.21 0.79 -0.83 0.66 -2.27 0.00 0.00 179.45 178.01 1vle n TYR 851 N -4.33 0.00 -2.59 1.91 4.01 -1.26 -4.81 117.16 110.09 1vle n TYR 851 Ca 0.07 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.39 1vle n TYR 851 Cb 0.14 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 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 -2.00 2.83 -0.85 -0.72 0.00 -1.24 -4.63 121.76 115.14 1vle s ALA 852 Ca -0.00 -2.37 -0.08 0.00 0.00 0.00 0.00 51.96 49.51 1vle s ALA 852 Cb 0.04 -4.50 -0.16 0.00 0.00 0.00 0.00 23.12 18.49 1vle s ALA 852 CO 0.22 -3.54 3.15 0.00 0.00 0.00 0.00 175.76 175.59 1vle s GLY 854 N 2.19 2.44 0.06 0.00 0.00 -1.26 -4.90 107.32 105.85 1vle s GLY 854 Ca 0.65 -2.21 -0.26 0.00 0.00 0.00 0.00 44.72 42.91 1vle s GLY 854 CO -0.03 -2.02 0.79 -3.16 0.00 0.00 0.00 173.10 168.68 1vle s MET 855 N -3.79 4.53 -0.40 2.90 0.23 -1.26 -1.91 119.30 119.60 1vle s MET 855 Ca 0.37 1.12 0.05 0.00 -1.03 0.00 0.00 55.69 56.20 1vle s MET 855 Cb 0.07 -3.36 0.49 0.00 -1.53 0.00 0.00 34.83 30.51 1vle s MET 855 CO 0.20 0.29 1.56 0.00 -2.03 0.00 0.00 175.02 175.04 1vle n ALA 856 N 2.72 5.15 -0.22 3.16 0.00 -1.26 -3.61 120.51 126.44 1vle n ALA 856 Ca -0.02 -3.41 -0.05 0.00 0.00 0.00 0.00 53.44 49.96 1vle n ALA 856 Cb 0.50 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 19.03 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 1.61 -1.17 0.00 0.00 4.21 -1.71 -3.15 115.58 115.36 1vle h ASN 857 Ca 0.40 0.23 0.00 0.00 1.21 0.00 0.00 56.30 58.14 1vle h ASN 857 Cb 1.50 0.59 0.00 0.00 -1.12 0.00 0.00 38.32 39.29 1vle h ASN 857 CO 0.86 -0.30 0.00 0.59 -1.29 0.00 0.00 177.43 177.29 1vle n ASN 858 N -5.44 0.00 -3.78 5.81 3.02 -0.67 -3.89 115.26 110.31 1vle n ASN 858 Ca 0.05 -0.25 -0.30 0.00 -0.03 0.00 0.00 54.58 54.05 1vle n ASN 858 Cb 0.36 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.39 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 -2.00 1.35 -0.05 3.41 -4.23 -1.19 -4.27 115.64 108.67 1vle s THR 859 Ca 0.01 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 1vle s THR 859 Cb 0.00 -1.99 0.02 0.00 1.34 0.00 0.00 72.50 71.88 1vle s THR 859 CO 0.01 -0.75 -0.03 0.00 -0.54 0.00 0.00 174.62 173.31 1vle s ALA 860 N 0.96 0.63 -0.10 3.99 0.00 -0.97 -4.61 121.76 121.65 1vle s ALA 860 Ca 0.13 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.87 1vle s ALA 860 Cb -0.21 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1vle s ALA 860 CO -0.12 -0.10 0.50 -0.51 0.00 0.00 0.00 175.76 175.53 1vle s LEU 861 N 1.12 4.30 0.27 0.00 1.43 -1.26 -0.30 118.68 124.24 1vle s LEU 861 Ca -0.08 0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 53.85 1vle s LEU 861 Cb -0.14 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 1vle s LEU 861 CO -0.01 0.01 0.35 0.68 0.23 0.00 0.00 176.35 177.61 1vle s VAL 862 N 0.51 0.00 0.07 -1.59 -7.23 -0.10 -4.76 120.40 107.31 1vle s VAL 862 Ca 0.27 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.78 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 0.11 0.00 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.09 1vle s GLU 863 N -3.72 0.76 0.08 4.82 2.56 -0.63 -1.34 118.70 121.23 1vle s GLU 863 Ca 0.32 -0.98 0.02 0.00 0.00 0.00 0.00 54.97 54.32 1vle s GLU 863 Cb 0.02 -0.59 -0.04 0.00 2.00 0.00 0.00 34.13 35.52 1vle s GLU 863 CO 0.15 0.11 -0.07 0.96 -0.56 0.00 0.00 175.26 175.86 1vle s ILE 864 N -1.74 0.61 0.25 -3.70 -4.36 -1.26 -1.29 121.20 109.71 1vle s ILE 864 Ca -0.01 -1.70 -0.21 0.00 -0.26 0.00 0.00 60.65 58.47 1vle s ILE 864 Cb -0.07 -1.38 0.03 0.00 1.25 0.00 0.00 42.46 42.28 1vle s ILE 864 CO 0.01 -0.76 0.68 -1.83 0.24 0.00 0.00 174.94 173.29 1vle s GLU 865 N -3.25 1.67 0.31 0.37 -1.05 -1.16 -4.98 118.70 110.61 1vle s GLU 865 Ca 0.06 -0.88 -0.29 0.00 -0.15 0.00 0.00 54.97 53.71 1vle s GLU 865 Cb 0.02 0.60 -0.10 0.00 -0.44 0.00 0.00 34.13 34.21 1vle s GLU 865 CO -0.04 -0.76 1.25 0.15 0.95 0.00 0.00 175.26 176.82 1vle s LYS 866 N -3.88 4.43 -0.01 -4.83 1.02 -1.26 -0.78 119.74 114.42 1vle s LYS 866 Ca 0.09 2.09 -0.30 0.00 0.02 0.00 0.00 55.97 57.87 1vle s LYS 866 Cb -0.05 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1vle s LYS 866 CO 0.03 -0.09 1.23 -0.46 -0.92 0.00 0.00 175.35 175.14 1vle s TRP 867 N -1.03 3.21 -0.78 3.18 -0.00 -0.29 -4.68 118.94 118.55 1vle s TRP 867 Ca 0.48 1.18 0.26 0.00 -0.00 0.00 0.00 56.10 58.03 1vle s TRP 867 Cb -0.37 -3.45 0.82 0.00 -0.00 0.00 0.00 33.47 30.46 1vle s TRP 867 CO 0.48 -1.46 1.74 -0.40 -0.00 0.00 0.00 176.95 177.31 1vle n ASP 868 N 4.86 0.65 0.00 5.86 5.68 -1.26 -4.92 116.55 127.42 1vle n ASP 868 Ca 0.11 0.49 0.00 0.00 -0.50 0.00 0.00 54.79 54.88 1vle n ASP 868 Cb 0.46 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 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 1.35 0.58 3.80 6.12 0.00 -1.26 -5.09 105.19 110.70 1vle n GLY 869 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.30 5.60 0.03 1.61 3.68 -1.26 -4.96 116.67 119.07 1vle s ASP 870 Ca 0.00 1.77 0.24 0.00 2.13 0.00 0.00 52.55 56.69 1vle s ASP 870 Cb 0.00 -2.52 0.37 0.00 -1.45 0.00 0.00 42.92 39.32 1vle s ASP 870 CO 0.00 -1.29 1.32 2.29 0.13 0.00 0.00 175.17 177.61 1vle n LYS 871 N -2.40 0.08 -3.72 4.34 2.85 -1.26 -4.96 118.16 113.10 1vle n LYS 871 Ca 0.08 0.01 -0.33 0.00 -1.05 0.00 0.00 58.31 57.03 1vle n LYS 871 Cb 0.53 -1.54 0.04 0.00 -0.65 0.00 0.00 35.03 33.41 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 -1.66 -1.87 -2.65 5.58 4.02 -1.26 -0.67 117.16 118.65 1vle n TYR 872 Ca 0.05 0.42 -0.43 0.00 -0.01 0.00 0.00 57.90 57.93 1vle n TYR 872 Cb 0.36 -3.36 0.00 0.00 -0.02 0.00 0.00 39.34 36.33 1vle n TYR 872 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1vle n GLU 873 N -4.20 3.32 0.00 -0.72 2.13 -1.26 -3.38 120.64 116.53 1vle n GLU 873 Ca -0.10 -3.54 0.00 0.00 0.66 0.00 0.00 57.16 54.18 1vle n GLU 873 Cb 0.59 -3.17 0.00 0.00 0.27 0.00 0.00 31.44 29.12 1vle n GLU 873 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1vle n ILE 874 N 4.96 0.33 0.63 6.31 -5.35 -0.81 -4.93 119.36 120.50 1vle n ILE 874 Ca 0.42 -0.34 0.08 0.00 -0.27 0.00 0.00 62.75 62.64 1vle n ILE 874 Cb 0.42 0.85 0.06 0.00 -1.74 0.00 0.00 39.64 39.24 1vle n ILE 874 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57