#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vle n GLY 2 N 0.00 3.05 3.98 3.03 0.00 -1.26 -5.07 105.19 108.92 1vle n GLY 2 Ca 0.00 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.46 1vle n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vle s GLU 3 N -1.93 2.12 -0.14 1.61 0.41 -1.26 -4.75 118.70 114.77 1vle s GLU 3 Ca 0.00 -0.86 -0.17 0.00 -0.41 0.00 0.00 54.97 53.53 1vle s GLU 3 Cb 0.00 -2.38 -0.04 0.00 -1.78 0.00 0.00 34.13 29.93 1vle s GLU 3 CO 0.00 -1.10 0.44 0.08 -0.49 0.00 0.00 175.26 174.19 1vle s VAL 4 N -2.99 5.21 -0.04 2.63 1.01 -1.26 -4.34 120.40 120.62 1vle s VAL 4 Ca 0.62 0.85 0.05 0.00 0.00 0.00 0.00 61.98 63.50 1vle s VAL 4 Cb -0.08 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1vle s VAL 4 CO 0.42 0.32 -0.19 -0.69 0.00 0.00 0.00 175.10 174.96 1vle s VAL 5 N 0.70 2.65 -0.35 2.92 1.01 0.50 -4.94 120.40 122.89 1vle s VAL 5 Ca 0.23 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1vle s VAL 5 Cb -0.15 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1vle s VAL 5 CO 0.09 0.58 0.44 -0.60 0.00 0.00 0.00 175.10 175.61 1vle s ARG 6 N -0.62 3.55 0.54 2.72 3.52 -1.26 -0.91 118.95 126.48 1vle s ARG 6 Ca 0.09 -0.33 0.05 0.00 -0.13 0.00 0.00 55.73 55.42 1vle s ARG 6 Cb -0.11 -3.82 0.03 0.00 -1.56 0.00 0.00 34.95 29.49 1vle s ARG 6 CO 0.00 -0.61 0.35 -0.51 -0.81 0.00 0.00 175.30 173.72 1vle s LEU 7 N 2.21 2.64 0.12 -0.88 1.43 0.13 -4.90 118.68 119.43 1vle s LEU 7 Ca 0.15 -1.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.02 1vle s LEU 7 Cb -0.16 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1vle s LEU 7 CO 0.13 -1.07 -0.19 0.42 0.23 0.00 0.00 176.35 175.87 1vle s THR 8 N -2.79 1.63 0.07 5.49 -4.23 -1.26 0.11 115.64 114.66 1vle s THR 8 Ca 0.30 -1.65 -0.09 0.00 -1.18 0.00 0.00 61.69 59.07 1vle s THR 8 Cb -0.02 -1.59 0.03 0.00 1.34 0.00 0.00 72.50 72.27 1vle s THR 8 CO 0.18 -0.19 0.42 -3.20 -0.54 0.00 0.00 174.62 171.29 1vle n ASN 9 N 0.81 -0.68 -1.81 3.99 2.85 -0.91 -1.59 115.26 117.91 1vle n ASN 9 Ca -0.17 -1.35 -0.05 0.00 -0.11 0.00 0.00 54.58 52.90 1vle n ASN 9 Cb 0.55 1.10 -0.01 0.00 1.24 0.00 0.00 39.78 42.67 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 -0.84 -0.68 -3.01 1.20 2.88 -1.26 -0.99 113.62 110.91 1vle n SER 10 Ca -0.01 -1.76 -0.05 0.00 -1.33 0.00 0.00 58.87 55.73 1vle n SER 10 Cb 0.23 1.22 0.02 0.00 -0.75 0.00 0.00 64.21 64.94 1vle n SER 10 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1vle n SER 11 N -1.72 -1.80 0.00 -3.46 3.41 -0.79 -4.79 113.62 104.47 1vle n SER 11 Ca -0.01 -2.05 0.11 0.00 -0.26 0.00 0.00 58.87 56.65 1vle n SER 11 Cb 0.25 2.95 0.58 0.00 -0.26 0.00 0.00 64.21 67.73 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 -0.63 0.20 -0.30 6.66 -2.24 -1.26 -1.83 114.28 114.88 1vle n THR 12 Ca -0.04 0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1vle n THR 12 Cb 0.55 -0.70 0.15 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.46 3.07 0.00 3.38 0.00 -1.26 -3.77 105.19 107.07 1vle n GLY 13 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.14 2.26 3.79 -0.02 0.00 -0.76 -1.68 105.19 108.92 1vle n GLY 14 Ca 0.11 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.35 3.23 0.03 1.61 0.02 -1.26 -1.89 135.00 134.40 1vle s PRO 15 Ca 0.00 1.33 -0.06 0.00 0.02 0.00 0.00 61.00 62.30 1vle s PRO 15 Cb 0.00 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 1vle s PRO 15 CO 0.00 -0.90 0.10 0.14 -0.33 0.00 0.00 177.00 176.01 1vle s VAL 16 N -2.27 0.13 -0.15 3.83 -7.23 -0.16 -4.34 120.40 110.22 1vle s VAL 16 Ca 0.66 -1.06 -0.12 0.00 -1.81 0.00 0.00 61.98 59.65 1vle s VAL 16 Cb -0.18 -0.85 -0.05 0.00 0.56 0.00 0.00 36.38 35.86 1vle s VAL 16 CO 0.35 -0.59 0.23 -0.36 -0.31 0.00 0.00 175.10 174.43 1vle s PHE 17 N -2.50 3.50 -0.23 2.82 2.99 -0.37 -2.15 117.98 122.04 1vle s PHE 17 Ca -0.06 0.55 -0.01 0.00 0.00 0.00 0.00 56.93 57.42 1vle s PHE 17 Cb -0.02 -2.22 0.02 0.00 0.00 0.00 0.00 43.02 40.81 1vle s PHE 17 CO -0.04 0.38 -0.10 0.08 -0.00 0.00 0.00 175.22 175.54 1vle s VAL 18 N 0.02 2.67 -0.33 -0.44 1.01 0.12 -1.66 120.40 121.78 1vle s VAL 18 Ca 0.15 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 1vle s VAL 18 Cb -0.13 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.96 1vle s VAL 18 CO 0.03 0.31 0.67 -0.31 0.00 0.00 0.00 175.10 175.80 1vle s TYR 19 N 1.32 3.17 0.08 5.22 1.51 -0.67 0.19 117.35 128.18 1vle s TYR 19 Ca 0.02 0.51 0.10 0.00 -1.01 0.00 0.00 57.07 56.69 1vle s TYR 19 Cb -0.15 -3.13 -0.03 0.00 -0.11 0.00 0.00 41.96 38.53 1vle s TYR 19 CO -0.07 -0.58 -0.25 0.08 -1.11 0.00 0.00 175.55 173.62 1vle s VAL 20 N 2.75 2.29 -0.14 0.71 1.01 -0.09 0.30 120.40 127.24 1vle s VAL 20 Ca 0.26 -1.51 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 1vle s VAL 20 Cb -0.14 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.33 1vle s VAL 20 CO 0.14 0.25 0.32 -0.75 0.00 0.00 0.00 175.10 175.06 1vle s LYS 21 N -1.60 0.29 -1.49 2.72 2.20 -0.19 -0.37 119.74 121.30 1vle s LYS 21 Ca 0.13 0.65 -0.06 0.00 -0.36 0.00 0.00 55.97 56.34 1vle s LYS 21 Cb -0.10 -0.07 0.05 0.00 -1.51 0.00 0.00 37.83 36.19 1vle s LYS 21 CO 0.04 -0.16 0.55 -0.25 -0.36 0.00 0.00 175.35 175.17 1vle n ASP 22 N 4.24 -1.36 -0.00 1.43 8.00 -1.26 -0.98 116.55 126.61 1vle n ASP 22 Ca -0.24 -0.99 -0.00 0.00 0.71 0.00 0.00 54.79 54.26 1vle n ASP 22 Cb 0.54 -3.03 -0.00 0.00 -0.02 0.00 0.00 41.12 38.61 1vle n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vle n GLY 23 N -1.82 0.29 3.17 0.44 0.00 -1.26 -4.99 105.19 101.01 1vle n GLY 23 Ca -0.19 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.87 2.14 -0.05 1.61 2.20 -0.16 -4.72 119.74 119.90 1vle s LYS 24 Ca 0.00 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.61 1vle s LYS 24 Cb 0.00 -1.79 -0.03 0.00 -1.51 0.00 0.00 37.83 34.50 1vle s LYS 24 CO 0.00 0.24 1.20 0.42 -0.36 0.00 0.00 175.35 176.85 1vle s ILE 25 N 0.11 4.25 -0.11 5.43 1.01 -1.26 -1.02 121.20 129.61 1vle s ILE 25 Ca -0.07 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.15 1vle s ILE 25 Cb -0.14 -4.01 -0.25 0.00 0.01 0.00 0.00 42.46 38.07 1vle s ILE 25 CO 0.04 0.00 0.39 -0.38 0.00 0.00 0.00 174.94 174.99 1vle n ILE 26 N 4.60 1.70 -3.58 2.92 5.41 0.15 -4.97 119.36 125.58 1vle n ILE 26 Ca 0.11 -0.70 -0.06 0.00 1.00 0.00 0.00 62.75 63.11 1vle n ILE 26 Cb 0.46 -1.47 -0.02 0.00 -0.71 0.00 0.00 39.64 37.90 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 -2.56 0.76 -0.03 0.38 1.70 -1.19 -5.01 118.95 112.98 1vle s ARG 27 Ca -0.18 -0.33 0.02 0.00 -0.47 0.00 0.00 55.73 54.77 1vle s ARG 27 Cb 0.07 0.32 0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1vle s ARG 27 CO 0.77 -0.34 -0.09 -1.64 -1.08 0.00 0.00 175.30 172.93 1vle s MET 28 N -2.95 1.07 0.13 3.89 -1.94 -1.26 -1.66 119.30 116.58 1vle s MET 28 Ca 0.08 -0.30 -0.01 0.00 -1.71 0.00 0.00 55.69 53.76 1vle s MET 28 Cb -0.01 -0.98 -0.04 0.00 2.01 0.00 0.00 34.83 35.81 1vle s MET 28 CO -0.05 0.07 0.06 0.95 -0.01 0.00 0.00 175.02 176.03 1vle s THR 29 N 0.37 0.13 0.94 2.05 -4.23 -0.67 -4.95 115.64 109.28 1vle s THR 29 Ca -0.06 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.42 1vle s THR 29 Cb -0.11 -2.06 0.15 0.00 1.34 0.00 0.00 72.50 71.83 1vle s THR 29 CO 0.01 -0.45 1.09 -2.84 -0.54 0.00 0.00 174.62 171.88 1vle s PRO 30 N -4.05 0.89 -0.18 3.99 0.02 -1.26 -1.23 135.00 133.18 1vle s PRO 30 Ca 0.24 0.93 -0.12 0.00 0.02 0.00 0.00 61.00 62.07 1vle s PRO 30 Cb 0.07 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.79 1vle s PRO 30 CO 0.02 -2.52 0.21 -1.64 -0.33 0.00 0.00 177.00 172.74 1vle s MET 31 N -4.82 4.20 -0.02 5.54 -1.94 -1.26 -4.51 119.30 116.49 1vle s MET 31 Ca 0.65 -0.06 -0.17 0.00 -1.71 0.00 0.00 55.69 54.40 1vle s MET 31 Cb -0.20 -3.41 -0.06 0.00 2.01 0.00 0.00 34.83 33.17 1vle s MET 31 CO 0.58 0.29 0.46 -0.51 -0.01 0.00 0.00 175.02 175.83 1vle s ASP 32 N 0.36 6.83 0.28 3.03 1.01 -1.26 -1.50 116.67 125.43 1vle s ASP 32 Ca 0.12 0.99 -0.19 0.00 0.71 0.00 0.00 52.55 54.18 1vle s ASP 32 Cb -0.12 -2.28 -0.09 0.00 1.01 0.00 0.00 42.92 41.44 1vle s ASP 32 CO 0.01 0.23 0.78 -0.36 0.21 0.00 0.00 175.17 176.03 1vle s PHE 33 N -0.63 3.55 -0.66 4.23 2.99 -0.82 -5.01 117.98 121.64 1vle s PHE 33 Ca 0.25 1.41 -0.07 0.00 0.00 0.00 0.00 56.93 58.53 1vle s PHE 33 Cb -0.17 -2.66 0.17 0.00 0.00 0.00 0.00 43.02 40.37 1vle s PHE 33 CO 0.14 0.22 0.52 0.34 -0.00 0.00 0.00 175.22 176.44 1vle s ASP 34 N -1.85 5.78 0.17 1.36 -1.08 -1.26 -4.94 116.67 114.84 1vle s ASP 34 Ca 0.48 -2.63 0.07 0.00 -0.52 0.00 0.00 52.55 49.95 1vle s ASP 34 Cb -0.15 -1.99 0.37 0.00 -1.46 0.00 0.00 42.92 39.69 1vle s ASP 34 CO 0.20 -0.49 1.05 0.47 0.52 0.00 0.00 175.17 176.92 1vle n ASP 35 N 3.89 0.18 0.19 -0.34 8.00 -1.26 0.06 116.55 127.26 1vle n ASP 35 Ca 0.07 0.43 0.08 0.00 0.71 0.00 0.00 54.79 56.07 1vle n ASP 35 Cb 0.41 -0.39 0.24 0.00 -0.02 0.00 0.00 41.12 41.35 1vle n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vle h ALA 36 N 1.16 0.88 0.00 2.24 0.00 -2.01 -3.37 119.26 118.15 1vle h ALA 36 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1vle h ALA 36 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1vle h ALA 36 CO 0.00 0.33 -0.23 1.33 0.00 0.00 0.00 179.25 180.68 1vle n VAL 37 N -3.24 0.00 -3.66 0.00 0.24 0.11 -5.05 118.33 106.73 1vle n VAL 37 Ca 0.02 -0.13 -0.36 0.00 -2.04 0.00 0.00 64.34 61.83 1vle n VAL 37 Cb 0.57 0.64 -0.09 0.00 -1.47 0.00 0.00 33.84 33.48 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 -0.71 6.16 0.49 -1.34 1.01 0.41 -4.97 116.67 117.73 1vle s ASP 38 Ca 0.00 0.17 -0.21 0.00 0.71 0.00 0.00 52.55 53.22 1vle s ASP 38 Cb 0.00 -2.11 -0.09 0.00 1.01 0.00 0.00 42.92 41.73 1vle s ASP 38 CO 0.00 0.08 0.81 0.00 0.21 0.00 0.00 175.17 176.28 1vle n ALA 39 N 4.10 -0.39 -1.16 5.23 0.00 -1.26 -4.55 120.51 122.48 1vle n ALA 39 Ca -0.15 0.11 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 1vle n ALA 39 Cb 0.52 -1.98 0.12 0.00 0.00 0.00 0.00 19.45 18.11 1vle n ALA 39 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1vle s PRO 40 N -2.12 1.71 0.53 0.00 0.02 -1.26 -4.95 135.00 128.92 1vle s PRO 40 Ca 0.67 1.78 -0.06 0.00 0.02 0.00 0.00 61.00 63.41 1vle s PRO 40 Cb -0.51 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 1vle s PRO 40 CO 0.54 -2.17 0.84 -1.12 -0.33 0.00 0.00 177.00 174.77 1vle s SER 41 N -2.11 6.02 1.10 2.53 0.01 -1.26 -4.19 113.70 115.80 1vle s SER 41 Ca 0.74 0.87 -0.13 0.00 1.31 0.00 0.00 55.95 58.74 1vle s SER 41 Cb -0.29 -2.06 0.25 0.00 0.21 0.00 0.00 66.02 64.12 1vle s SER 41 CO 0.50 -0.77 1.06 -1.66 0.41 0.00 0.00 173.24 172.78 1vle s TRP 42 N -2.85 1.68 -0.00 2.43 1.48 -1.26 -4.96 118.94 115.45 1vle s TRP 42 Ca 0.50 1.08 -0.02 0.00 -1.06 0.00 0.00 56.10 56.60 1vle s TRP 42 Cb -0.10 -3.17 -0.00 0.00 -1.16 0.00 0.00 33.47 29.03 1vle s TRP 42 CO 0.45 -3.47 0.03 0.15 -4.06 0.00 0.00 176.95 170.05 1vle s LYS 43 N -4.69 0.18 -0.14 3.25 1.02 -1.26 -4.40 119.74 113.70 1vle s LYS 43 Ca 0.67 -0.22 -0.01 0.00 0.02 0.00 0.00 55.97 56.44 1vle s LYS 43 Cb -0.22 0.07 0.04 0.00 -0.52 0.00 0.00 37.83 37.20 1vle s LYS 43 CO 0.61 -0.03 -0.05 0.42 -0.92 0.00 0.00 175.35 175.38 1vle s ILE 44 N -0.62 0.99 -0.27 2.17 1.01 0.70 -4.96 121.20 120.22 1vle s ILE 44 Ca -0.07 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 1vle s ILE 44 Cb -0.04 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 1vle s ILE 44 CO -0.00 0.19 0.52 -1.61 0.00 0.00 0.00 174.94 174.04 1vle s GLU 45 N 1.70 4.04 -0.14 2.79 8.01 -1.26 -0.12 118.70 133.72 1vle s GLU 45 Ca 0.02 0.30 -0.09 0.00 0.01 0.00 0.00 54.97 55.21 1vle s GLU 45 Cb -0.14 -3.66 0.05 0.00 -4.31 0.00 0.00 34.13 26.06 1vle s GLU 45 CO -0.08 -0.38 0.34 0.00 0.01 0.00 0.00 175.26 175.15 1vle s ALA 46 N 2.34 -0.84 -1.30 5.21 0.00 0.59 -4.95 121.76 122.81 1vle s ALA 46 Ca 0.21 1.17 -0.15 0.00 0.00 0.00 0.00 51.96 53.20 1vle s ALA 46 Cb -0.16 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1vle s ALA 46 CO 0.09 -0.21 0.54 0.54 0.00 0.00 0.00 175.76 176.72 1vle n ARG 47 N 3.73 -1.60 -1.03 0.00 1.74 -1.26 -1.06 116.66 117.17 1vle n ARG 47 Ca -0.20 0.30 -0.01 0.00 -0.77 0.00 0.00 57.85 57.17 1vle n ARG 47 Cb 0.56 -3.79 -0.00 0.00 -1.02 0.00 0.00 32.46 28.20 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 -2.00 0.30 3.26 -0.13 0.00 -1.26 -4.99 105.19 100.37 1vle n GLY 48 Ca -0.20 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.38 1.10 -0.20 1.61 1.02 -0.23 -5.13 119.74 116.53 1vle s LYS 49 Ca 0.00 -1.44 -0.01 0.00 0.02 0.00 0.00 55.97 54.55 1vle s LYS 49 Cb 0.00 -0.75 0.01 0.00 -0.52 0.00 0.00 37.83 36.57 1vle s LYS 49 CO 0.00 0.11 -0.13 0.99 -0.92 0.00 0.00 175.35 175.40 1vle s THR 50 N -3.06 2.56 -0.19 2.17 2.01 -1.26 -0.30 115.64 117.58 1vle s THR 50 Ca 0.16 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 1vle s THR 50 Cb 0.01 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1vle s THR 50 CO 0.02 0.46 0.03 -0.36 -0.69 0.00 0.00 174.62 174.08 1vle s PHE 51 N 1.35 3.14 -0.01 4.92 0.40 0.83 -4.92 117.98 123.69 1vle s PHE 51 Ca 0.05 -0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1vle s PHE 51 Cb -0.14 -2.07 -0.00 0.00 0.51 0.00 0.00 43.02 41.32 1vle s PHE 51 CO -0.09 -0.02 0.06 -0.08 0.70 0.00 0.00 175.22 175.79 1vle s THR 52 N 0.62 0.04 0.71 0.64 -1.32 -1.26 -0.21 115.64 114.86 1vle s THR 52 Ca 0.01 -0.37 -0.11 0.00 -1.21 0.00 0.00 61.69 60.02 1vle s THR 52 Cb -0.14 -0.21 0.02 0.00 -1.51 0.00 0.00 72.50 70.66 1vle s THR 52 CO 0.02 -0.20 1.07 -2.16 -2.21 0.00 0.00 174.62 171.14 1vle s PRO 53 N -0.62 2.79 0.39 7.08 0.04 -1.26 -5.03 135.00 138.39 1vle s PRO 53 Ca -0.07 0.77 -0.26 0.00 0.04 0.00 0.00 61.00 61.48 1vle s PRO 53 Cb -0.04 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1vle s PRO 53 CO 0.00 -1.15 1.22 -2.14 0.04 0.00 0.00 177.00 174.97 1vle s PRO 54 N -5.14 4.06 -0.79 0.56 0.02 -1.26 -4.88 135.00 127.57 1vle s PRO 54 Ca 0.58 1.98 -0.07 0.00 0.02 0.00 0.00 61.00 63.51 1vle s PRO 54 Cb -0.13 -2.75 -0.15 0.00 0.02 0.00 0.00 34.50 31.48 1vle s PRO 54 CO 0.54 -0.36 3.01 0.54 -0.33 0.00 0.00 177.00 180.40 1vle n ARG 55 N 0.18 2.61 -3.45 5.54 5.12 -1.26 -4.78 116.66 120.63 1vle n ARG 55 Ca 0.04 -1.50 -0.12 0.00 -1.93 0.00 0.00 57.85 54.34 1vle n ARG 55 Cb 0.45 -2.36 -0.02 0.00 -1.16 0.00 0.00 32.46 29.37 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 1.89 1.16 0.51 5.56 2.20 -1.26 -1.95 119.74 127.85 1vle s LYS 56 Ca 0.61 -0.37 0.09 0.00 -0.36 0.00 0.00 55.97 55.94 1vle s LYS 56 Cb 0.22 0.54 0.05 0.00 -1.51 0.00 0.00 37.83 37.12 1vle s LYS 56 CO -0.03 -0.50 0.64 0.95 -0.36 0.00 0.00 175.35 176.05 1vle s THR 57 N -3.39 2.39 0.09 3.43 -4.23 -0.56 -4.98 115.64 108.39 1vle s THR 57 Ca 0.01 -1.09 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 1vle s THR 57 Cb -0.01 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1vle s THR 57 CO -0.10 0.00 -0.08 -0.94 -0.54 0.00 0.00 174.62 172.95 1vle s SER 58 N -4.48 1.23 0.17 3.99 1.04 -1.26 -4.41 113.70 109.99 1vle s SER 58 Ca 0.55 -0.84 0.08 0.00 0.48 0.00 0.00 55.95 56.22 1vle s SER 58 Cb -0.06 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 1vle s SER 58 CO 0.34 -0.33 -0.16 0.27 0.98 0.00 0.00 173.24 174.34 1vle s ILE 59 N -2.71 1.67 0.55 -1.02 -4.36 -1.26 -4.44 121.20 109.64 1vle s ILE 59 Ca 0.05 -1.99 -0.06 0.00 -0.26 0.00 0.00 60.65 58.39 1vle s ILE 59 Cb -0.01 -1.86 -0.02 0.00 1.25 0.00 0.00 42.46 41.83 1vle s ILE 59 CO -0.02 -0.45 0.87 0.00 0.24 0.00 0.00 174.94 175.58 1vle s ALA 60 N -2.44 3.31 0.17 2.27 0.00 -0.68 -4.48 121.76 119.91 1vle s ALA 60 Ca 0.17 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 1vle s ALA 60 Cb -0.03 -2.66 0.14 0.00 0.00 0.00 0.00 23.12 20.56 1vle s ALA 60 CO 0.06 -0.60 1.70 -1.35 0.00 0.00 0.00 175.76 175.56 1vle h PRO 61 N -0.03 0.12 0.00 0.00 0.11 -1.93 -1.64 132.00 128.63 1vle h PRO 61 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1vle h PRO 61 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1vle h PRO 61 CO 0.61 0.08 0.00 0.10 -0.21 0.00 0.00 178.00 178.58 1vle h TYR 62 N 0.12 0.00 0.03 0.65 -0.00 -1.91 -0.52 116.97 115.34 1vle h TYR 62 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 58.73 58.66 1vle h TYR 62 Cb 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.00 1vle h TYR 62 CO -0.27 0.00 -1.61 1.15 -0.00 0.00 0.00 178.16 177.43 1vle h THR 63 N 0.00 0.99 -0.35 -0.90 2.02 -1.68 -2.86 112.91 110.14 1vle h THR 63 Ca 0.00 -2.79 -0.02 0.00 0.77 0.00 0.00 66.41 64.37 1vle h THR 63 Cb 0.16 2.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.08 1vle h THR 63 CO 0.00 0.64 0.13 0.00 0.37 0.00 0.00 175.52 176.66 1vle h ALA 64 N 0.84 1.58 -0.26 6.16 0.00 -0.24 -2.36 119.26 124.98 1vle h ALA 64 Ca -0.25 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1vle h ALA 64 Cb 1.98 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.57 1vle h ALA 64 CO 0.10 0.33 -0.05 0.41 0.00 0.00 0.00 179.25 180.04 1vle n GLY 65 N -1.21 4.55 0.29 0.00 0.00 -0.93 -4.70 105.19 103.18 1vle n GLY 65 Ca 0.02 -1.14 0.15 0.00 0.00 0.00 0.00 46.02 45.05 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 1.21 0.00 -0.33 1.61 3.57 -1.17 -2.46 116.94 119.36 1vle h PHE 66 Ca 0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1vle h PHE 66 Cb 1.48 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.20 1vle h PHE 66 CO 0.68 0.06 0.22 -0.22 -2.23 0.00 0.00 178.31 176.81 1vle h LYS 67 N 0.00 0.44 0.00 1.11 3.64 -1.84 0.74 116.57 120.66 1vle h LYS 67 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1vle h LYS 67 Cb 0.20 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1vle h LYS 67 CO 0.01 0.29 0.00 -1.13 -2.27 0.00 0.00 179.45 176.35 1vle n SER 68 N -4.48 0.42 0.02 4.20 3.41 -0.93 -2.27 113.62 114.00 1vle n SER 68 Ca 0.02 0.59 -0.19 0.00 -0.26 0.00 0.00 58.87 59.03 1vle n SER 68 Cb 0.07 -0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 63.19 1vle n SER 68 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1vle h MET 69 N 0.00 0.25 -0.49 4.33 2.86 -1.00 -3.07 114.93 117.81 1vle h MET 69 Ca 0.00 -0.43 -0.03 0.00 -2.06 0.00 0.00 59.70 57.18 1vle h MET 69 Cb 0.37 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1vle h MET 69 CO 0.00 1.12 0.18 0.82 1.06 0.00 0.00 176.91 180.09 1vle h ILE 70 N 0.07 1.22 -0.92 -1.22 2.04 -1.10 -2.90 117.51 114.70 1vle h ILE 70 Ca -0.37 -0.69 -0.43 0.00 1.00 0.00 0.00 64.86 64.37 1vle h ILE 70 Cb 2.04 0.76 -0.26 0.00 -0.74 0.00 0.00 36.82 38.62 1vle h ILE 70 CO 0.11 0.26 0.54 -1.22 0.00 0.00 0.00 178.15 177.84 1vle n TYR 71 N -4.55 2.87 -2.04 1.37 4.01 -0.96 -4.92 117.16 112.94 1vle n TYR 71 Ca 0.01 -1.68 -0.37 0.00 -0.16 0.00 0.00 57.90 55.70 1vle n TYR 71 Cb 0.17 -0.87 0.02 0.00 -0.31 0.00 0.00 39.34 38.34 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 -1.27 5.64 0.00 7.72 0.15 -1.10 -4.91 113.70 119.93 1vle s SER 72 Ca 0.56 2.49 0.29 0.00 0.70 0.00 0.00 55.95 60.00 1vle s SER 72 Cb 0.47 -2.61 1.35 0.00 -1.71 0.00 0.00 66.02 63.52 1vle s SER 72 CO 0.11 -1.29 1.93 -0.90 1.20 0.00 0.00 173.24 174.29 1vle n ASP 73 N -0.91 0.45 -1.20 5.45 5.75 -1.26 -2.62 116.55 122.21 1vle n ASP 73 Ca 0.10 -0.69 0.12 0.00 -0.01 0.00 0.00 54.79 54.30 1vle n ASP 73 Cb 0.47 -0.07 0.26 0.00 -1.03 0.00 0.00 41.12 40.75 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 -0.88 3.55 -4.74 -2.12 4.77 -1.26 -4.91 117.00 111.40 1vle n LEU 74 Ca 0.16 -1.62 -0.41 0.00 -0.03 0.00 0.00 56.01 54.11 1vle n LEU 74 Cb 0.25 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1vle n LEU 74 CO 0.22 0.81 1.09 -0.60 -1.33 0.00 0.00 177.39 177.58 1vle s ARG 75 N -1.35 4.28 -0.10 3.23 6.06 -1.08 0.15 118.95 130.15 1vle s ARG 75 Ca 0.42 2.26 -0.29 0.00 -2.50 0.00 0.00 55.73 55.61 1vle s ARG 75 Cb 0.23 -3.13 -0.06 0.00 0.06 0.00 0.00 34.95 32.05 1vle s ARG 75 CO 0.32 -0.41 1.85 0.42 -2.50 0.00 0.00 175.30 174.98 1vle s ILE 76 N 0.17 3.33 0.10 4.11 1.01 -0.08 -4.73 121.20 125.10 1vle s ILE 76 Ca 0.60 0.38 -0.22 0.00 0.00 0.00 0.00 60.65 61.41 1vle s ILE 76 Cb -0.41 -3.31 -0.12 0.00 0.01 0.00 0.00 42.46 38.63 1vle s ILE 76 CO 0.41 -0.10 1.73 -0.65 0.00 0.00 0.00 174.94 176.33 1vle h PRO 77 N 11.24 0.01 -2.73 2.79 0.11 -1.90 -3.44 132.00 138.08 1vle h PRO 77 Ca -0.41 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.78 1vle h PRO 77 Cb 1.20 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1vle h PRO 77 CO 0.96 0.01 0.45 1.52 -0.21 0.00 0.00 178.00 180.73 1vle s TYR 78 N -6.19 0.09 0.41 0.65 -0.85 -1.26 -1.26 117.35 108.94 1vle s TYR 78 Ca -0.13 -0.61 -0.27 0.00 -0.52 0.00 0.00 57.07 55.55 1vle s TYR 78 Cb 0.07 0.76 -0.09 0.00 0.38 0.00 0.00 41.96 43.08 1vle s TYR 78 CO 0.67 -1.20 1.45 -2.14 -1.52 0.00 0.00 175.55 172.81 1vle s PRO 79 N -2.24 3.89 0.08 -3.49 0.02 -1.26 -4.62 135.00 127.39 1vle s PRO 79 Ca 0.19 2.48 0.07 0.00 0.02 0.00 0.00 61.00 63.76 1vle s PRO 79 Cb -0.04 -2.80 -0.03 0.00 0.02 0.00 0.00 34.50 31.65 1vle s PRO 79 CO 0.08 -0.67 -0.18 -1.64 -0.33 0.00 0.00 177.00 174.26 1vle s MET 80 N -2.28 1.02 -0.04 5.54 -1.94 -0.25 -2.26 119.30 119.09 1vle s MET 80 Ca 0.57 -1.01 0.03 0.00 -1.71 0.00 0.00 55.69 53.57 1vle s MET 80 Cb -0.45 -1.15 0.00 0.00 2.01 0.00 0.00 34.83 35.24 1vle s MET 80 CO 0.59 0.27 -0.13 0.21 -0.01 0.00 0.00 175.02 175.95 1vle s LYS 81 N -1.67 1.44 -0.09 2.03 2.20 -0.22 -0.64 119.74 122.79 1vle s LYS 81 Ca 0.03 -0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 54.88 1vle s LYS 81 Cb -0.10 -1.27 -0.05 0.00 -1.51 0.00 0.00 37.83 34.91 1vle s LYS 81 CO 0.03 0.16 1.61 0.50 -0.36 0.00 0.00 175.35 177.29 1vle s ARG 82 N 0.18 4.14 0.18 4.03 3.52 -0.26 -0.87 118.95 129.87 1vle s ARG 82 Ca -0.05 2.07 -0.15 0.00 -0.13 0.00 0.00 55.73 57.47 1vle s ARG 82 Cb -0.11 -3.97 0.16 0.00 -1.56 0.00 0.00 34.95 29.47 1vle s ARG 82 CO 0.02 -0.89 1.65 0.87 -0.81 0.00 0.00 175.30 176.14 1vle h LYS 83 N 9.55 0.01 0.00 5.12 1.57 -1.27 -1.24 116.57 130.31 1vle h LYS 83 Ca -0.37 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1vle h LYS 83 Cb 1.17 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1vle h LYS 83 CO 0.96 0.01 0.00 -1.13 -0.57 0.00 0.00 179.45 178.72 1vle n SER 84 N -5.35 0.00 -4.60 0.86 3.41 -1.26 -4.68 113.62 102.00 1vle n SER 84 Ca 0.05 -0.29 -0.38 0.00 -0.26 0.00 0.00 58.87 57.99 1vle n SER 84 Cb 0.27 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.22 3.23 -0.25 7.33 5.36 -0.47 -4.35 117.98 126.62 1vle s PHE 85 Ca 0.21 0.22 0.01 0.00 -0.96 0.00 0.00 56.93 56.40 1vle s PHE 85 Cb 0.11 -2.44 0.07 0.00 -0.34 0.00 0.00 43.02 40.42 1vle s PHE 85 CO 0.21 -0.17 -0.03 0.34 -1.46 0.00 0.00 175.22 174.11 1vle s ASP 86 N 1.69 3.91 0.40 6.13 2.15 -0.69 -4.86 116.67 125.40 1vle s ASP 86 Ca 0.10 -1.29 0.16 0.00 0.43 0.00 0.00 52.55 51.94 1vle s ASP 86 Cb -0.16 -1.17 1.03 0.00 -0.30 0.00 0.00 42.92 42.32 1vle s ASP 86 CO 0.10 -0.27 1.86 -0.65 -0.17 0.00 0.00 175.17 176.05 1vle h PRO 87 N 7.95 0.45 -0.62 4.34 0.11 -1.97 -1.68 132.00 140.59 1vle h PRO 87 Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1vle h PRO 87 Cb 1.06 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1vle h PRO 87 CO 0.42 0.30 0.00 0.09 -0.21 0.00 0.00 178.00 178.60 1vle n ASN 88 N -4.53 3.90 0.00 -2.05 4.13 -1.26 -4.96 115.26 110.49 1vle n ASN 88 Ca 0.19 -2.13 0.00 0.00 1.68 0.00 0.00 54.58 54.32 1vle n ASN 88 Cb 0.64 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 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 1.22 4.40 3.68 7.41 0.00 -0.63 -5.10 105.19 116.16 1vle n GLY 89 Ca 0.22 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 3.71 4.39 0.16 1.61 0.41 -1.25 -4.87 118.70 122.87 1vle s GLU 90 Ca 0.00 1.37 0.23 0.00 -0.41 0.00 0.00 54.97 56.16 1vle s GLU 90 Cb 0.00 -3.56 -0.00 0.00 -1.78 0.00 0.00 34.13 28.79 1vle s GLU 90 CO 0.00 -0.37 1.00 0.54 -0.49 0.00 0.00 175.26 175.95 1vle n ARG 91 N 5.23 0.56 -3.80 1.61 1.74 -1.25 -1.70 116.66 119.04 1vle n ARG 91 Ca 0.09 0.07 -0.30 0.00 -0.77 0.00 0.00 57.85 56.95 1vle n ARG 91 Cb 0.48 -1.76 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.52 -4.97 -0.23 0.55 3.02 -1.26 -4.44 115.26 105.41 1vle n ASN 92 Ca 0.00 -0.99 0.06 0.00 -0.03 0.00 0.00 54.58 53.62 1vle n ASN 92 Cb 0.53 -2.18 0.32 0.00 -0.61 0.00 0.00 39.78 37.84 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 -1.07 0.81 0.00 3.52 0.11 -1.90 -1.40 132.00 132.07 1vle h PRO 93 Ca -0.61 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.45 1vle h PRO 93 Cb 1.36 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1vle h PRO 93 CO 0.42 0.53 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 1vle n GLN 94 N -4.49 0.20 0.00 1.05 0.00 -1.25 -2.62 117.38 110.27 1vle n GLN 94 Ca 0.12 0.14 0.09 0.00 0.00 0.00 0.00 57.00 57.36 1vle n GLN 94 Cb 0.24 -1.50 0.08 0.00 0.00 0.00 0.00 30.24 29.06 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 -1.22 2.57 -4.73 2.61 4.77 -0.53 -4.86 117.00 115.62 1vle n LEU 95 Ca 0.06 -1.00 -0.42 0.00 -0.03 0.00 0.00 56.01 54.62 1vle n LEU 95 Cb 0.08 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1vle n LEU 95 CO 0.08 0.45 1.15 -0.13 -1.33 0.00 0.00 177.39 177.61 1vle s ARG 96 N -1.58 4.26 0.00 3.23 0.52 -1.08 -1.60 118.95 122.71 1vle s ARG 96 Ca 0.22 2.28 0.00 0.00 -0.52 0.00 0.00 55.73 57.71 1vle s ARG 96 Cb 0.16 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.47 1vle s ARG 96 CO 0.24 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.46 1vle n GLY 97 N 3.23 0.74 0.33 -3.53 0.00 -1.18 -4.79 105.19 99.99 1vle n GLY 97 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 1vle n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vle h ALA 98 N 0.00 1.47 -0.65 4.61 0.00 -1.58 -1.04 119.26 122.06 1vle h ALA 98 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1vle h ALA 98 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1vle h ALA 98 CO 0.00 0.45 0.12 0.78 0.00 0.00 0.00 179.25 180.61 1vle h GLY 99 N 0.90 1.13 0.99 0.00 0.00 -1.82 -2.33 103.07 101.95 1vle h GLY 99 Ca 0.23 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1vle h GLY 99 CO -0.04 0.67 0.23 -2.00 0.00 0.00 0.00 176.54 175.40 1vle h LEU 100 N 0.99 0.79 -2.74 3.11 5.85 -1.56 0.50 115.31 122.25 1vle h LEU 100 Ca 0.20 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1vle h LEU 100 Cb 0.40 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1vle h LEU 100 CO 0.01 0.74 -0.00 0.28 -0.34 0.00 0.00 178.44 179.13 1vle h SER 101 N 0.78 0.00 -0.19 1.25 0.02 -0.70 -0.92 113.55 113.79 1vle h SER 101 Ca 0.19 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1vle h SER 101 Cb 0.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 1vle h SER 101 CO -0.02 0.00 -0.07 2.29 -1.14 0.00 0.00 176.83 177.89 1vle n LYS 102 N -3.11 2.07 -3.31 3.45 2.85 -0.84 -4.17 118.16 115.09 1vle n LYS 102 Ca -0.02 -2.92 -0.24 0.00 -1.05 0.00 0.00 58.31 54.07 1vle n LYS 102 Cb 0.11 -1.73 0.02 0.00 -0.65 0.00 0.00 35.03 32.78 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 -0.98 -4.54 -2.93 -1.58 3.00 -0.35 -4.92 117.38 105.08 1vle n GLN 103 Ca 0.23 0.69 -0.14 0.00 -0.01 0.00 0.00 57.00 57.77 1vle n GLN 103 Cb 0.85 -5.50 0.00 0.00 0.00 0.00 0.00 30.24 25.59 1vle n GLN 103 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1vle n ASP 104 N -2.50 -1.75 -0.04 1.08 2.03 0.17 -5.00 116.55 110.55 1vle n ASP 104 Ca -0.04 -3.04 -0.08 0.00 0.52 0.00 0.00 54.79 52.14 1vle n ASP 104 Cb 0.57 0.86 -0.02 0.00 -0.72 0.00 0.00 41.12 41.82 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 4.09 -0.21 -0.86 -0.67 0.11 -1.88 -2.75 132.00 129.84 1vle h PRO 105 Ca -0.05 0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.22 1vle h PRO 105 Cb 0.98 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.07 1vle h PRO 105 CO 0.36 -0.14 0.56 -1.49 -0.21 0.00 0.00 178.00 177.09 1vle h TRP 106 N -0.21 0.73 0.00 0.65 4.06 -1.96 -1.88 115.95 117.35 1vle h TRP 106 Ca 0.13 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.10 1vle h TRP 106 Cb 0.40 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 1vle h TRP 106 CO -0.35 0.27 0.00 -1.13 -3.56 0.00 0.00 178.44 173.67 1vle n SER 107 N -4.54 0.00 0.05 -3.49 3.41 -1.04 -1.71 113.62 106.31 1vle n SER 107 Ca 0.17 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 1vle n SER 107 Cb 0.49 -0.41 0.17 0.00 -0.26 0.00 0.00 64.21 64.20 1vle n SER 107 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1vle n ASP 108 N -1.41 0.66 -4.52 4.04 9.92 -0.70 -4.95 116.55 119.59 1vle n ASP 108 Ca 0.01 0.05 -0.25 0.00 -0.53 0.00 0.00 54.79 54.07 1vle n ASP 108 Cb 0.03 0.23 -0.10 0.00 -0.64 0.00 0.00 41.12 40.64 1vle n ASP 108 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1vle s TYR 109 N -3.15 2.46 0.06 1.24 1.51 -0.69 -0.75 117.35 118.03 1vle s TYR 109 Ca 0.06 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 1vle s TYR 109 Cb 0.14 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 1vle s TYR 109 CO 0.73 0.60 -0.13 -1.83 -1.11 0.00 0.00 175.55 173.81 1vle s GLU 110 N -3.20 0.78 0.44 -0.62 -1.05 -0.04 -4.85 118.70 110.14 1vle s GLU 110 Ca 0.27 -0.87 -0.24 0.00 -0.15 0.00 0.00 54.97 53.98 1vle s GLU 110 Cb -0.07 -0.74 -0.08 0.00 -0.44 0.00 0.00 34.13 32.80 1vle s GLU 110 CO 0.15 0.17 1.15 0.50 0.95 0.00 0.00 175.26 178.17 1vle s ARG 111 N -1.58 3.89 0.10 -4.83 3.52 -1.26 -1.06 118.95 117.73 1vle s ARG 111 Ca -0.03 1.75 -0.11 0.00 -0.13 0.00 0.00 55.73 57.21 1vle s ARG 111 Cb -0.09 -2.49 0.01 0.00 -1.56 0.00 0.00 34.95 30.82 1vle s ARG 111 CO 0.02 -0.44 0.25 0.96 -0.81 0.00 0.00 175.30 175.28 1vle s ILE 112 N -1.53 0.12 0.76 4.11 -4.36 -0.96 -4.85 121.20 114.49 1vle s ILE 112 Ca 0.61 -1.00 -0.11 0.00 -0.26 0.00 0.00 60.65 59.89 1vle s ILE 112 Cb -0.28 -1.27 0.05 0.00 1.25 0.00 0.00 42.46 42.21 1vle s ILE 112 CO 0.34 -0.55 1.10 -0.94 0.24 0.00 0.00 174.94 175.13 1vle s SER 113 N -2.80 4.85 0.25 4.36 1.04 -1.26 -3.98 113.70 116.16 1vle s SER 113 Ca 0.04 1.25 -0.04 0.00 0.48 0.00 0.00 55.95 57.68 1vle s SER 113 Cb 0.04 -2.01 0.28 0.00 0.10 0.00 0.00 66.02 64.43 1vle s SER 113 CO -0.11 -1.73 1.78 -0.50 0.98 0.00 0.00 173.24 173.65 1vle h TRP 114 N -0.92 0.99 -0.24 5.02 4.06 -1.97 -1.39 115.95 121.51 1vle h TRP 114 Ca -0.46 -0.11 -0.01 0.00 2.06 0.00 0.00 58.89 60.38 1vle h TRP 114 Cb 1.26 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 29.13 1vle h TRP 114 CO 0.48 0.83 0.13 0.22 -3.56 0.00 0.00 178.44 176.54 1vle h ASP 115 N 0.91 0.30 -0.09 -3.49 3.58 -1.99 -1.75 116.42 113.89 1vle h ASP 115 Ca 0.19 -0.09 -0.20 0.00 0.42 0.00 0.00 57.03 57.36 1vle h ASP 115 Cb 0.34 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1vle h ASP 115 CO 0.00 0.31 -0.67 -0.08 -2.88 0.00 0.00 179.24 175.92 1vle h GLU 116 N 0.27 0.71 -0.22 0.28 4.81 -1.91 -2.07 114.58 116.46 1vle h GLU 116 Ca 0.08 -0.52 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1vle h GLU 116 Cb 0.07 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1vle h GLU 116 CO -0.01 1.14 0.12 0.00 -0.73 0.00 0.00 179.01 179.53 1vle h ALA 117 N 0.73 0.26 -0.23 2.92 0.00 -1.18 -1.37 119.26 120.39 1vle h ALA 117 Ca -0.02 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1vle h ALA 117 Cb 1.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1vle h ALA 117 CO 0.14 -0.29 -0.34 1.79 0.00 0.00 0.00 179.25 180.55 1vle h THR 118 N 0.25 1.29 -0.72 0.00 1.35 -1.34 -1.83 112.91 111.90 1vle h THR 118 Ca 0.09 -1.43 -0.07 0.00 -0.55 0.00 0.00 66.41 64.45 1vle h THR 118 Cb 0.00 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 67.88 1vle h THR 118 CO -0.05 0.45 0.20 0.44 -0.25 0.00 0.00 175.52 176.31 1vle h ASP 119 N 0.41 1.08 -0.22 5.36 3.32 -1.11 0.13 116.42 125.39 1vle h ASP 119 Ca 0.05 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1vle h ASP 119 Cb 0.79 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1vle h ASP 119 CO 0.06 1.02 0.08 0.40 -1.72 0.00 0.00 179.24 179.08 1vle h ILE 120 N 1.09 1.18 -0.46 0.35 2.04 -1.01 -0.34 117.51 120.35 1vle h ILE 120 Ca 0.23 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1vle h ILE 120 Cb 0.35 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1vle h ILE 120 CO -0.00 0.18 0.11 0.58 0.00 0.00 0.00 178.15 179.02 1vle h VAL 121 N 0.20 1.24 -0.72 1.67 2.07 -1.10 -2.06 116.25 117.54 1vle h VAL 121 Ca 0.07 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1vle h VAL 121 Cb 0.20 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1vle h VAL 121 CO -0.00 0.29 0.42 0.58 0.02 0.00 0.00 177.57 178.88 1vle h VAL 122 N 0.61 1.21 -0.90 2.57 2.07 -0.63 -0.14 116.25 121.04 1vle h VAL 122 Ca 0.14 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1vle h VAL 122 Cb 0.33 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1vle h VAL 122 CO 0.00 0.23 0.60 0.00 0.02 0.00 0.00 177.57 178.42 1vle h ALA 123 N 1.22 1.15 -0.37 1.67 0.00 -0.79 -0.88 119.26 121.26 1vle h ALA 123 Ca 0.26 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1vle h ALA 123 Cb -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1vle h ALA 123 CO -0.05 0.53 -0.05 0.93 0.00 0.00 0.00 179.25 180.62 1vle h GLU 124 N 1.21 0.68 0.09 0.00 4.39 -0.77 -1.35 114.58 118.82 1vle h GLU 124 Ca 0.34 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.80 1vle h GLU 124 Cb -0.12 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1vle h GLU 124 CO -0.08 0.82 -0.11 0.82 -1.16 0.00 0.00 179.01 179.30 1vle h ILE 125 N 0.49 0.75 -0.56 3.13 2.04 -0.57 -1.53 117.51 121.25 1vle h ILE 125 Ca 0.10 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 1vle h ILE 125 Cb 0.54 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1vle h ILE 125 CO 0.03 0.00 0.04 0.78 0.00 0.00 0.00 178.15 179.00 1vle h ASN 126 N -0.23 0.94 -0.37 1.72 2.35 -1.17 0.14 115.58 118.95 1vle h ASN 126 Ca 0.01 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1vle h ASN 126 Cb 0.23 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1vle h ASN 126 CO -0.05 0.99 0.23 -0.09 -1.65 0.00 0.00 177.43 176.87 1vle h ARG 127 N 0.86 0.50 -0.39 0.81 2.43 -1.16 -2.10 114.38 115.33 1vle h ARG 127 Ca 0.16 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1vle h ARG 127 Cb 0.49 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1vle h ARG 127 CO 0.02 0.36 -0.08 0.82 -1.51 0.00 0.00 179.97 179.59 1vle h ILE 128 N 0.49 1.27 -0.86 1.20 2.04 -1.12 -1.87 117.51 118.66 1vle h ILE 128 Ca 0.13 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 1vle h ILE 128 Cb -0.01 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1vle h ILE 128 CO -0.03 0.38 0.47 0.11 0.00 0.00 0.00 178.15 179.09 1vle h LYS 129 N 0.55 1.20 0.00 2.37 1.57 -0.86 0.27 116.57 121.67 1vle h LYS 129 Ca 0.10 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1vle h LYS 129 Cb 0.59 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1vle h LYS 129 CO 0.03 0.87 0.00 0.45 -0.57 0.00 0.00 179.45 180.24 1vle h HIS 130 N 1.21 0.00 0.06 -1.35 3.86 -1.31 -1.25 115.15 116.36 1vle h HIS 130 Ca 0.30 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 59.14 1vle h HIS 130 Cb 0.02 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1vle h HIS 130 CO 0.01 0.00 -2.24 0.00 0.86 0.00 0.00 177.93 176.56 1vle n ALA 131 N -2.03 1.17 0.00 2.45 0.00 -0.71 -4.77 120.51 116.61 1vle n ALA 131 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1vle n ALA 131 Cb 0.50 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -3.41 0.00 0.00 0.00 4.01 0.88 -5.09 117.16 113.56 1vle n TYR 132 Ca -0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 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 1.93 2.26 0.39 2.72 0.00 -0.47 -4.61 105.19 107.41 1vle n GLY 133 Ca 0.00 -1.95 0.19 0.00 0.00 0.00 0.00 46.02 44.26 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 0.13 0.00 1.61 0.11 -1.85 -1.28 132.00 130.71 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 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1vle h PRO 134 CO 0.00 0.08 -0.01 0.66 -0.21 0.00 0.00 178.00 178.52 1vle h SER 135 N 0.13 0.00 0.42 -2.05 4.64 -1.86 -1.44 113.55 113.38 1vle h SER 135 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1vle h SER 135 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1vle h SER 135 CO -0.04 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 1vle n ALA 136 N -2.13 2.25 -3.21 5.18 0.00 -0.48 -4.12 120.51 117.99 1vle n ALA 136 Ca -0.02 -0.12 -0.44 0.00 0.00 0.00 0.00 53.44 52.86 1vle n ALA 136 Cb 0.14 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.12 1vle n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vle s ILE 137 N -2.53 4.91 0.32 0.00 1.01 -0.54 -0.61 121.20 123.76 1vle s ILE 137 Ca 0.24 -1.40 -0.18 0.00 0.00 0.00 0.00 60.65 59.31 1vle s ILE 137 Cb 0.16 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 1vle s ILE 137 CO 0.36 -0.71 0.79 -0.22 0.00 0.00 0.00 174.94 175.16 1vle s LEU 138 N 1.55 4.13 -0.13 2.97 2.96 0.44 -0.43 118.68 130.17 1vle s LEU 138 Ca 0.04 1.44 -0.30 0.00 -0.22 0.00 0.00 54.13 55.09 1vle s LEU 138 Cb -0.27 -4.05 0.09 0.00 0.50 0.00 0.00 46.19 42.47 1vle s LEU 138 CO 0.03 -0.17 0.81 -0.55 -1.32 0.00 0.00 176.35 175.15 1vle s SER 139 N -2.05 -0.57 -0.26 3.68 0.15 -0.74 -0.51 113.70 113.40 1vle s SER 139 Ca 0.53 0.72 -0.26 0.00 0.70 0.00 0.00 55.95 57.63 1vle s SER 139 Cb -0.12 0.60 0.15 0.00 -1.71 0.00 0.00 66.02 64.94 1vle s SER 139 CO 0.18 -0.45 1.17 0.28 1.20 0.00 0.00 173.24 175.61 1vle s THR 140 N -0.88 0.00 0.00 6.45 -1.32 -1.15 -2.39 115.64 116.35 1vle s THR 140 Ca -0.06 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 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 0.05 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.65 1vle n PRO 141 N 1.59 0.00 -3.78 7.08 -0.04 -1.26 -2.01 135.00 136.58 1vle n PRO 141 Ca -0.10 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.26 1vle n PRO 141 Cb 0.57 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.04 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 -2.05 -0.15 3.54 2.88 -1.26 -4.81 113.62 111.77 1vle n SER 142 Ca 0.00 -2.64 -0.03 0.00 -1.33 0.00 0.00 58.87 54.87 1vle n SER 142 Cb 0.00 3.48 0.05 0.00 -0.75 0.00 0.00 64.21 66.99 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 1.95 -0.18 -1.81 -3.46 0.02 -1.99 -3.44 113.55 104.63 1vle h SER 143 Ca -0.32 0.11 -0.53 0.00 -0.84 0.00 0.00 61.79 60.22 1vle h SER 143 Cb 1.21 0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.88 1vle h SER 143 CO 0.41 -0.06 -0.49 -1.00 -1.14 0.00 0.00 176.83 174.55 1vle s HIS 144 N -6.17 2.76 0.16 3.45 3.76 -1.26 -5.09 115.29 112.90 1vle s HIS 144 Ca -0.13 -0.38 -0.21 0.00 -0.15 0.00 0.00 55.06 54.19 1vle s HIS 144 Cb 0.16 -1.76 0.06 0.00 1.11 0.00 0.00 32.58 32.14 1vle s HIS 144 CO 0.72 0.23 0.56 -1.58 -0.85 0.00 0.00 174.74 173.82 1vle s HIS 145 N -2.40 -0.41 0.39 1.40 5.04 -1.26 -5.06 115.29 112.98 1vle s HIS 145 Ca 0.40 0.15 -0.26 0.00 -1.54 0.00 0.00 55.06 53.82 1vle s HIS 145 Cb -0.03 0.49 -0.11 0.00 0.04 0.00 0.00 32.58 32.97 1vle s HIS 145 CO 0.24 -0.84 1.16 -1.33 -2.34 0.00 0.00 174.74 171.63 1vle n MET 146 N -0.35 1.71 -1.93 2.88 2.81 -1.26 -4.86 117.12 116.12 1vle n MET 146 Ca -0.15 0.61 -0.39 0.00 -1.81 0.00 0.00 57.70 55.95 1vle n MET 146 Cb 0.64 -2.20 0.01 0.00 -0.71 0.00 0.00 33.22 30.96 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 -1.19 2.62 0.00 2.03 -0.00 -1.26 -4.76 118.94 116.37 1vle s TRP 147 Ca 0.60 1.35 0.00 0.00 -0.00 0.00 0.00 56.10 58.05 1vle s TRP 147 Cb -0.56 -3.78 0.00 0.00 -0.00 0.00 0.00 33.47 29.14 1vle s TRP 147 CO 0.59 -2.50 0.00 0.41 -0.00 0.00 0.00 176.95 175.45 1vle n GLY 148 N 0.62 3.11 0.13 5.86 0.00 -1.26 -4.76 105.19 108.89 1vle n GLY 148 Ca 0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 0.30 -0.37 1.61 4.21 -1.59 -0.15 115.58 119.59 1vle h ASN 149 Ca 0.00 -0.12 -0.12 0.00 1.21 0.00 0.00 56.30 57.27 1vle h ASN 149 Cb 0.00 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.11 1vle h ASN 149 CO 0.00 0.34 -0.23 0.58 -1.29 0.00 0.00 177.43 176.83 1vle h VAL 150 N 0.24 1.28 -0.00 2.81 2.07 -1.96 -3.13 116.25 117.57 1vle h VAL 150 Ca 0.08 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1vle h VAL 150 Cb 0.12 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1vle h VAL 150 CO -0.01 0.46 -0.11 0.61 0.02 0.00 0.00 177.57 178.54 1vle n GLY 151 N 0.01 -1.44 3.52 2.17 0.00 -1.22 -2.77 105.19 105.47 1vle n GLY 151 Ca -0.02 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1vle n GLY 151 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1vle n TYR 152 N -1.49 -0.37 0.20 1.61 9.36 -0.07 -4.39 117.16 122.01 1vle n TYR 152 Ca 0.07 0.33 0.06 0.00 3.32 0.00 0.00 57.90 61.68 1vle n TYR 152 Cb 0.34 -1.92 0.57 0.00 -0.63 0.00 0.00 39.34 37.69 1vle n TYR 152 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1vle h ARG 153 N -1.05 0.10 0.00 2.98 0.11 -1.90 -0.21 114.38 114.41 1vle h ARG 153 Ca -0.45 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1vle h ARG 153 Cb 1.31 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1vle h ARG 153 CO 0.40 0.11 0.00 0.45 0.10 0.00 0.00 179.97 181.04 1vle h HIS 154 N 0.10 0.00 0.00 4.08 3.86 -1.90 -2.86 115.15 118.44 1vle h HIS 154 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1vle h HIS 154 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 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 -2.89 0.00 0.11 2.45 2.88 -0.19 -4.51 113.62 111.48 1vle n SER 155 Ca 0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.43 1vle n SER 155 Cb 0.35 -0.05 -0.08 0.00 -0.75 0.00 0.00 64.21 63.68 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 0.89 -0.21 2.46 2.02 -1.11 -1.88 112.91 115.08 1vle h THR 156 Ca 0.00 -0.43 0.06 0.00 0.77 0.00 0.00 66.41 66.81 1vle h THR 156 Cb 0.00 1.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 1vle h THR 156 CO 0.00 0.10 -0.33 0.22 0.37 0.00 0.00 175.52 175.88 1vle h TYR 157 N -0.47 -0.90 -0.35 3.16 3.20 -1.66 -2.23 116.97 117.71 1vle h TYR 157 Ca -0.03 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1vle h TYR 157 Cb 0.36 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1vle h TYR 157 CO -0.00 -0.40 0.10 0.74 -1.64 0.00 0.00 178.16 176.96 1vle h PHE 158 N -0.36 0.57 -0.78 -3.82 0.05 -1.56 -0.52 116.94 110.53 1vle h PHE 158 Ca 0.12 -0.06 0.15 0.00 3.82 0.00 0.00 57.97 61.99 1vle h PHE 158 Cb 0.54 -0.16 -0.10 0.00 2.00 0.00 0.00 35.95 38.24 1vle h PHE 158 CO -0.45 0.57 0.34 -0.09 -0.18 0.00 0.00 178.31 178.50 1vle h ARG 159 N 0.41 0.47 0.13 1.51 2.43 -1.03 0.41 114.38 118.72 1vle h ARG 159 Ca 0.11 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1vle h ARG 159 Cb 0.27 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1vle h ARG 159 CO -0.00 0.31 -0.06 0.35 -1.51 0.00 0.00 179.97 179.06 1vle h PHE 160 N 0.49 -0.17 -0.80 2.20 3.57 -1.24 -3.30 116.94 117.68 1vle h PHE 160 Ca 0.43 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.07 1vle h PHE 160 Cb 0.65 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 1vle h PHE 160 CO -0.15 0.26 0.53 0.52 -2.23 0.00 0.00 178.31 177.24 1vle h MET 161 N -0.92 0.51 0.00 1.11 2.86 -0.89 0.34 114.93 117.94 1vle h MET 161 Ca -0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1vle h MET 161 Cb 0.50 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1vle h MET 161 CO 0.03 0.34 -0.12 -0.91 1.06 0.00 0.00 176.91 177.31 1vle h ASN 162 N 0.53 0.00 0.32 1.22 -0.26 -1.03 -1.45 115.58 114.90 1vle h ASN 162 Ca 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.13 1vle h ASN 162 Cb 0.77 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 1vle h ASN 162 CO -0.15 0.12 -0.65 0.23 -1.06 0.00 0.00 177.43 175.92 1vle n MET 163 N -3.57 0.07 -0.05 0.81 2.81 0.06 -4.64 117.12 112.62 1vle n MET 163 Ca -0.02 -0.05 -0.05 0.00 -1.81 0.00 0.00 57.70 55.77 1vle n MET 163 Cb 0.25 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.24 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 -1.43 0.32 0.00 0.03 0.00 -0.75 -5.10 117.12 110.20 1vle n MET 164 Ca 0.05 0.13 0.00 0.00 -0.00 0.00 0.00 57.70 57.88 1vle n MET 164 Cb 0.34 -1.04 0.00 0.00 0.00 0.00 0.00 33.22 32.52 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 1.88 1.73 3.61 -5.12 0.00 -0.62 -4.92 105.19 101.74 1vle n GLY 165 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 3.83 -0.05 -0.30 1.61 -0.12 -1.25 -4.83 117.98 116.87 1vle s PHE 166 Ca 0.00 0.02 -0.15 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 -0.11 0.35 0.99 -0.05 0.00 0.00 175.22 176.40 1vle s THR 167 N -2.21 5.19 0.11 -4.49 2.01 0.42 -4.45 115.64 112.23 1vle s THR 167 Ca 0.12 0.34 -0.19 0.00 0.31 0.00 0.00 61.69 62.27 1vle s THR 167 Cb 0.01 -3.72 -0.07 0.00 0.01 0.00 0.00 72.50 68.73 1vle s THR 167 CO -0.04 0.08 0.60 -0.47 -0.69 0.00 0.00 174.62 174.10 1vle s TYR 168 N 2.02 3.75 -0.95 4.92 5.04 -1.26 -1.79 117.35 129.08 1vle s TYR 168 Ca 0.13 1.27 -0.14 0.00 -2.44 0.00 0.00 57.07 55.89 1vle s TYR 168 Cb -0.16 -2.51 0.20 0.00 0.35 0.00 0.00 41.96 39.85 1vle s TYR 168 CO 0.11 0.52 1.00 0.00 -1.34 0.00 0.00 175.55 175.84 1vle s ALA 169 N -1.24 4.02 0.38 3.97 0.00 -1.01 -1.84 121.76 126.05 1vle s ALA 169 Ca 0.33 -3.29 -0.28 0.00 0.00 0.00 0.00 51.96 48.72 1vle s ALA 169 Cb -0.18 -3.73 -0.11 0.00 0.00 0.00 0.00 23.12 19.09 1vle s ALA 169 CO 0.20 -2.50 1.49 0.34 0.00 0.00 0.00 175.76 175.29 1vle s ASP 170 N 2.44 6.30 0.26 0.00 -1.08 -0.66 -4.46 116.67 119.47 1vle s ASP 170 Ca 0.27 3.06 -0.29 0.00 -0.52 0.00 0.00 52.55 55.07 1vle s ASP 170 Cb -0.08 -2.67 -0.09 0.00 -1.46 0.00 0.00 42.92 38.62 1vle s ASP 170 CO -0.08 -0.91 0.99 -1.00 0.52 0.00 0.00 175.17 174.70 1vle s HIS 171 N -1.12 3.84 0.58 -5.34 3.76 -1.26 -1.64 115.29 114.11 1vle s HIS 171 Ca 0.53 1.84 -0.16 0.00 -0.15 0.00 0.00 55.06 57.12 1vle s HIS 171 Cb -0.47 -3.07 -0.04 0.00 1.11 0.00 0.00 32.58 30.11 1vle s HIS 171 CO 0.63 0.13 1.06 0.54 -0.85 0.00 0.00 174.74 176.25 1vle s ASN 172 N -1.13 5.85 -1.11 1.40 4.22 -1.26 -3.59 114.94 119.33 1vle s ASN 172 Ca 0.43 1.83 -0.10 0.00 -2.14 0.00 0.00 52.86 52.88 1vle s ASN 172 Cb -0.27 -2.54 -0.07 0.00 1.28 0.00 0.00 41.25 39.65 1vle s ASN 172 CO 0.34 -1.12 2.29 -0.81 -2.04 0.00 0.00 177.10 175.76 1vle n PRO 173 N -1.89 2.44 -0.32 3.55 -0.04 -1.26 -4.74 135.00 132.73 1vle n PRO 173 Ca 0.09 -1.79 -0.11 0.00 -0.04 0.00 0.00 63.50 61.65 1vle n PRO 173 Cb 0.53 -2.68 -0.09 0.00 -0.04 0.00 0.00 33.50 31.22 1vle n PRO 173 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1vle h ASP 174 N 6.23 -1.89 -0.94 3.54 3.04 -1.98 0.33 116.42 124.76 1vle h ASP 174 Ca 0.58 0.28 0.17 0.00 -3.24 0.00 0.00 57.03 54.82 1vle h ASP 174 Cb 0.31 0.82 -0.08 0.00 -1.04 0.00 0.00 39.33 39.34 1vle h ASP 174 CO 1.65 -0.24 0.60 0.28 -2.04 0.00 0.00 179.24 179.48 1vle h SER 175 N -0.08 0.65 -0.00 4.15 0.02 -2.00 -3.12 113.55 113.16 1vle h SER 175 Ca 0.13 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1vle h SER 175 Cb 0.41 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1vle h SER 175 CO -0.77 0.29 -0.85 0.79 -1.14 0.00 0.00 176.83 175.14 1vle n TRP 176 N -4.60 0.00 0.00 3.45 8.01 -0.26 -4.54 117.44 119.49 1vle n TRP 176 Ca 0.20 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.39 1vle n TRP 176 Cb 0.55 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.85 1vle n TRP 176 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1vle n GLU 177 N -1.20 0.00 -0.28 -0.99 -0.58 0.10 0.12 120.64 117.81 1vle n GLU 177 Ca 0.05 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.84 1vle n GLU 177 Cb 0.34 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.40 1vle n GLU 177 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1vle h GLY 178 N 0.00 1.28 1.89 0.62 0.00 -1.08 0.42 103.07 106.20 1vle h GLY 178 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 1vle h GLY 178 CO 0.00 0.02 -0.55 1.49 0.00 0.00 0.00 176.54 177.50 1vle h TRP 179 N 0.65 0.14 0.01 5.60 4.06 -0.57 -0.69 115.95 125.15 1vle h TRP 179 Ca 0.42 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 61.32 1vle h TRP 179 Cb 0.52 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.65 1vle h TRP 179 CO -0.09 0.64 -0.00 1.25 -3.56 0.00 0.00 178.44 176.68 1vle h HIS 180 N 0.09 -0.01 -0.01 0.49 2.76 -0.22 0.23 115.15 118.48 1vle h HIS 180 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1vle h HIS 180 Cb 1.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.97 1vle h HIS 180 CO 0.01 0.81 -0.22 0.91 -1.30 0.00 0.00 177.93 178.13 1vle n TRP 181 N -4.69 0.00 0.11 5.26 7.02 0.05 -4.28 117.44 120.91 1vle n TRP 181 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 1vle n TRP 181 Cb 0.40 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 29.16 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 1.32 -0.20 0.35 6.99 0.00 -0.36 -4.87 105.19 108.43 1vle n GLY 182 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 0.98 0.31 -0.02 0.00 -0.94 -2.62 103.07 100.77 1vle h GLY 183 Ca 0.00 -0.32 0.13 0.00 0.00 0.00 0.00 47.33 47.14 1vle h GLY 183 CO 0.00 0.25 0.41 1.98 0.00 0.00 0.00 176.54 179.19 1vle h MET 184 N 0.81 0.61 0.00 4.80 -1.53 -0.73 0.19 114.93 119.08 1vle h MET 184 Ca 0.31 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.53 1vle h MET 184 Cb 0.18 -0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.09 1vle h MET 184 CO -0.10 0.40 0.00 0.45 0.14 0.00 0.00 176.91 177.81 1vle h HIS 185 N 0.63 0.00 0.11 1.39 3.86 -1.75 0.49 115.15 119.87 1vle h HIS 185 Ca 0.43 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 59.27 1vle h HIS 185 Cb 0.56 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 1vle h HIS 185 CO -0.10 0.00 -2.05 -0.12 0.86 0.00 0.00 177.93 176.53 1vle n MET 186 N -3.06 0.74 0.00 2.45 0.00 0.51 -4.61 117.12 113.15 1vle n MET 186 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 57.70 57.95 1vle n MET 186 Cb 0.27 -1.69 0.00 0.00 0.00 0.00 0.00 33.22 31.80 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 -3.44 0.00 0.00 1.12 4.27 -0.35 -0.39 117.44 118.65 1vle n TRP 187 Ca -0.33 -0.09 0.00 0.00 -3.89 0.00 0.00 57.50 53.19 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 -0.09 1.70 3.27 -1.67 0.00 0.17 -4.38 105.19 104.19 1vle n GLY 188 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 1vle n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vle n PHE 189 N 12.03 -1.97 -0.28 1.61 3.01 -1.26 -4.19 117.46 126.41 1vle n PHE 189 Ca 0.00 0.56 0.04 0.00 1.01 0.00 0.00 57.45 59.05 1vle n PHE 189 Cb 0.00 -3.84 0.25 0.00 -0.01 0.00 0.00 39.48 35.89 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 -1.34 0.87 0.28 4.37 4.64 -1.90 0.83 113.55 121.30 1vle h SER 190 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1vle h SER 190 Cb 1.34 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1vle h SER 190 CO 0.56 0.57 0.00 -2.67 -0.87 0.00 0.00 176.83 174.43 1vle n TRP 191 N -4.48 0.60 -0.54 4.77 2.14 -1.15 0.42 117.44 119.21 1vle n TRP 191 Ca 0.13 0.28 0.06 0.00 2.07 0.00 0.00 57.50 60.04 1vle n TRP 191 Cb 0.18 -0.95 0.13 0.00 -0.81 0.00 0.00 31.31 29.86 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 -2.09 2.54 -3.17 -2.67 1.74 -0.13 -4.40 116.66 108.48 1vle n ARG 192 Ca 0.00 -2.22 -0.22 0.00 -0.77 0.00 0.00 57.85 54.64 1vle n ARG 192 Cb 0.10 -1.39 0.01 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.47 -1.95 0.00 0.55 4.77 0.17 -1.83 117.00 118.24 1vle n LEU 193 Ca 0.12 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1vle n LEU 193 Cb 0.54 -2.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 1vle n LEU 193 CO 0.06 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1vle n GLY 194 N -1.28 1.97 3.86 -0.72 0.00 0.10 -2.66 105.19 106.46 1vle n GLY 194 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 6.49 0.39 1.61 0.01 -0.76 -4.72 114.94 116.44 1vle s ASN 195 Ca 0.00 1.38 -0.09 0.00 -0.71 0.00 0.00 52.86 53.44 1vle s ASN 195 Cb 0.00 -2.43 -0.06 0.00 0.41 0.00 0.00 41.25 39.17 1vle s ASN 195 CO 0.00 -0.59 0.73 -2.16 -1.51 0.00 0.00 177.10 173.57 1vle s PRO 196 N -4.28 3.73 0.65 -0.60 0.04 -1.26 -4.69 135.00 128.58 1vle s PRO 196 Ca 0.55 0.36 -0.15 0.00 0.04 0.00 0.00 61.00 61.81 1vle s PRO 196 Cb -0.10 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 1vle s PRO 196 CO 0.37 -0.00 1.08 -1.83 0.04 0.00 0.00 177.00 176.66 1vle s GLU 197 N -3.87 2.97 -0.00 4.56 -1.05 -1.26 -4.93 118.70 115.12 1vle s GLU 197 Ca 0.50 1.26 0.01 0.00 -0.15 0.00 0.00 54.97 56.58 1vle s GLU 197 Cb -0.10 -1.98 0.01 0.00 -0.44 0.00 0.00 34.13 31.61 1vle s GLU 197 CO 0.32 -1.10 0.76 1.04 0.95 0.00 0.00 175.26 177.23 1vle n GLN 198 N -2.42 1.34 -1.53 -4.83 1.13 -1.26 -4.79 117.38 105.02 1vle n GLN 198 Ca 0.09 -1.02 -0.48 0.00 -1.94 0.00 0.00 57.00 53.66 1vle n GLN 198 Cb 0.53 -0.75 -0.03 0.00 0.11 0.00 0.00 30.24 30.09 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 -0.26 0.82 -3.16 1.08 4.02 -1.26 -3.03 117.16 115.36 1vle n TYR 199 Ca 0.01 0.78 -0.19 0.00 -0.01 0.00 0.00 57.90 58.49 1vle n TYR 199 Cb 0.40 -2.18 -0.01 0.00 -0.02 0.00 0.00 39.34 37.53 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 1.70 -3.05 0.11 7.72 10.43 -1.24 -1.48 116.55 130.74 1vle n ASP 200 Ca 0.14 -0.21 0.05 0.00 2.57 0.00 0.00 54.79 57.34 1vle n ASP 200 Cb 0.26 -2.58 0.01 0.00 1.84 0.00 0.00 41.12 40.65 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 -0.61 0.00 -0.14 0.64 3.38 -1.41 -3.32 115.31 113.85 1vle h LEU 201 Ca -0.34 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1vle h LEU 201 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1vle h LEU 201 CO 0.44 0.37 -0.00 0.25 0.09 0.00 0.00 178.44 179.59 1vle h LEU 202 N 0.00 -0.05 -1.10 1.67 5.85 -1.47 0.01 115.31 120.22 1vle h LEU 202 Ca -0.05 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1vle h LEU 202 Cb 1.33 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1vle h LEU 202 CO 0.04 -0.01 -0.24 -0.08 -0.34 0.00 0.00 178.44 177.81 1vle h GLU 203 N 0.05 0.33 -0.29 1.25 4.81 -1.77 -1.16 114.58 117.80 1vle h GLU 203 Ca 0.06 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1vle h GLU 203 Cb 0.08 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1vle h GLU 203 CO -0.11 0.56 0.12 0.22 -0.73 0.00 0.00 179.01 179.07 1vle h ASP 204 N 0.30 0.40 -0.06 1.04 -0.00 -1.50 -2.24 116.42 114.35 1vle h ASP 204 Ca 0.05 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.03 56.91 1vle h ASP 204 Cb 0.60 -0.10 -0.00 0.00 -0.00 0.00 0.00 39.33 39.82 1vle h ASP 204 CO 0.04 0.45 0.00 1.23 -0.00 0.00 0.00 179.24 180.96 1vle h GLY 205 N 0.32 0.12 1.09 -0.78 0.00 -0.77 -0.26 103.07 102.80 1vle h GLY 205 Ca 0.10 -0.09 0.11 0.00 0.00 0.00 0.00 47.33 47.45 1vle h GLY 205 CO -0.01 0.08 0.35 1.41 0.00 0.00 0.00 176.54 178.37 1vle h LEU 206 N -0.17 0.16 0.17 3.11 3.38 -1.19 0.36 115.31 121.13 1vle h LEU 206 Ca 0.02 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.66 1vle h LEU 206 Cb 0.33 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1vle h LEU 206 CO 0.00 0.10 -1.61 0.11 0.09 0.00 0.00 178.44 177.13 1vle h LYS 207 N 0.18 0.37 0.00 1.13 1.57 -1.21 -3.42 116.57 115.18 1vle h LYS 207 Ca 0.24 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1vle h LYS 207 Cb 0.70 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1vle h LYS 207 CO -0.04 1.27 -0.13 0.72 -0.57 0.00 0.00 179.45 180.70 1vle n HIS 208 N -3.56 0.00 -1.91 -1.35 8.25 -0.12 -4.82 115.22 111.71 1vle n HIS 208 Ca -0.20 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.85 1vle n HIS 208 Cb 1.07 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.16 1vle n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vle s ALA 209 N -1.07 3.62 0.00 -1.41 0.00 0.12 -4.67 121.76 118.35 1vle s ALA 209 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1vle s ALA 209 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1vle s ALA 209 CO 0.00 -0.88 0.00 0.39 0.00 0.00 0.00 175.76 175.27 1vle n GLU 210 N 1.45 2.43 -3.58 0.00 1.02 -0.59 -4.79 120.64 116.58 1vle n GLU 210 Ca 0.04 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.01 1vle n GLU 210 Cb 0.39 -0.92 -0.07 0.00 -0.02 0.00 0.00 31.44 30.83 1vle n GLU 210 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1vle s MET 211 N -1.77 0.96 -0.06 3.49 0.00 -0.99 -1.96 119.30 118.97 1vle s MET 211 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 55.69 55.96 1vle s MET 211 Cb 0.00 0.45 0.02 0.00 0.00 0.00 0.00 34.83 35.30 1vle s MET 211 CO 0.00 -0.28 -0.05 0.42 0.00 0.00 0.00 175.02 175.12 1vle s ILE 212 N -1.02 0.62 -0.47 10.11 1.01 -0.33 -1.44 121.20 129.68 1vle s ILE 212 Ca -0.10 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.29 1vle s ILE 212 Cb -0.01 -0.66 0.09 0.00 0.01 0.00 0.00 42.46 41.89 1vle s ILE 212 CO 0.08 0.26 0.36 -0.69 0.00 0.00 0.00 174.94 174.95 1vle s VAL 213 N 1.14 4.72 -0.57 2.92 1.01 -0.46 -1.85 120.40 127.31 1vle s VAL 213 Ca -0.07 -1.38 -0.27 0.00 0.00 0.00 0.00 61.98 60.26 1vle s VAL 213 Cb -0.14 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1vle s VAL 213 CO -0.01 -0.64 1.11 -0.36 0.00 0.00 0.00 175.10 175.19 1vle s PHE 214 N 1.51 2.66 -0.31 5.22 0.08 0.40 0.18 117.98 127.73 1vle s PHE 214 Ca 0.04 0.25 -0.06 0.00 0.12 0.00 0.00 56.93 57.27 1vle s PHE 214 Cb -0.25 -4.36 0.02 0.00 -0.57 0.00 0.00 43.02 37.86 1vle s PHE 214 CO 0.03 -1.52 0.08 -0.46 -0.10 0.00 0.00 175.22 173.26 1vle s TRP 215 N 4.62 3.18 -1.44 0.36 -0.11 0.12 -0.95 118.94 124.72 1vle s TRP 215 Ca 0.38 -1.15 -0.11 0.00 1.22 0.00 0.00 56.10 56.44 1vle s TRP 215 Cb -0.09 -2.25 0.04 0.00 -1.50 0.00 0.00 33.47 29.66 1vle s TRP 215 CO 0.23 -0.64 1.07 0.45 -4.62 0.00 0.00 176.95 173.44 1vle n SER 216 N 4.84 -5.77 -3.94 5.86 2.88 -0.35 -1.36 113.62 115.77 1vle n SER 216 Ca -0.14 -0.61 -0.27 0.00 -1.33 0.00 0.00 58.87 56.52 1vle n SER 216 Cb 0.47 -4.57 -0.17 0.00 -0.75 0.00 0.00 64.21 59.19 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 -3.26 2.14 -0.52 -3.46 0.15 -1.26 -3.44 113.70 104.05 1vle s SER 217 Ca 0.60 -0.32 0.07 0.00 0.70 0.00 0.00 55.95 57.00 1vle s SER 217 Cb -0.28 -0.87 0.25 0.00 -1.71 0.00 0.00 66.02 63.40 1vle s SER 217 CO 0.74 -0.08 0.63 -0.67 1.20 0.00 0.00 173.24 175.06 1vle n ASP 218 N 4.68 2.00 -0.28 5.45 -0.08 -1.26 -4.88 116.55 122.18 1vle n ASP 218 Ca -0.15 -3.07 0.04 0.00 -1.51 0.00 0.00 54.79 50.10 1vle n ASP 218 Cb 0.50 -0.66 0.13 0.00 2.34 0.00 0.00 41.12 43.44 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 4.14 0.02 -0.39 -0.67 0.11 -1.90 -1.70 132.00 131.61 1vle h PRO 219 Ca 0.14 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.30 1vle h PRO 219 Cb 0.77 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.83 1vle h PRO 219 CO 0.65 0.02 0.13 0.93 -0.21 0.00 0.00 178.00 179.52 1vle h GLU 220 N 0.02 0.28 -0.03 1.05 4.39 -1.94 0.94 114.58 119.30 1vle h GLU 220 Ca 0.41 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 1vle h GLU 220 Cb 0.67 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1vle h GLU 220 CO -0.80 0.19 -0.02 1.15 -1.16 0.00 0.00 179.01 178.37 1vle h THR 221 N 0.29 1.34 0.00 1.13 2.02 -1.71 -3.35 112.91 112.63 1vle h THR 221 Ca 0.18 -1.04 -0.16 0.00 0.77 0.00 0.00 66.41 66.17 1vle h THR 221 Cb 0.16 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1vle h THR 221 CO -0.19 0.28 -1.33 0.78 0.37 0.00 0.00 175.52 175.43 1vle h ASN 222 N -0.34 0.00 -0.67 4.18 2.35 -1.34 -3.48 115.58 116.28 1vle h ASN 222 Ca 0.01 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.56 1vle h ASN 222 Cb 0.46 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.75 1vle h ASN 222 CO 0.00 0.56 -0.18 -1.54 -1.65 0.00 0.00 177.43 174.63 1vle n SER 223 N -2.92 -4.65 0.00 5.81 3.41 0.32 -2.30 113.62 113.30 1vle n SER 223 Ca -0.08 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1vle n SER 223 Cb 0.83 -3.56 0.00 0.00 -0.26 0.00 0.00 64.21 61.22 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 0.18 2.17 0.00 5.00 0.00 -1.25 -4.37 105.19 106.91 1vle n GLY 224 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.23 -0.61 3.06 -0.97 -4.69 119.36 114.91 1vle n ILE 225 Ca 0.00 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.17 1vle n ILE 225 Cb 0.00 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.15 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 -0.03 0.00 -1.20 9.51 0.53 -1.25 -4.86 117.16 119.86 1vle n TYR 226 Ca 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.90 1vle n TYR 226 Cb 0.00 -2.26 0.23 0.00 -1.03 0.00 0.00 39.34 36.28 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 1.15 3.61 -0.37 -0.72 0.00 -1.26 -3.96 120.51 118.97 1vle n ALA 227 Ca -0.08 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.66 1vle n ALA 227 Cb 0.48 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.84 1.86 2.67 0.00 0.00 -1.26 -1.80 105.19 105.82 1vle n GLY 228 Ca 0.27 0.49 -0.06 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 2.14 1.55 0.11 1.61 3.01 -1.26 -4.62 117.46 119.99 1vle n PHE 229 Ca 0.00 -2.27 0.04 0.00 1.01 0.00 0.00 57.45 56.23 1vle n PHE 229 Cb 0.00 -0.26 0.44 0.00 -0.01 0.00 0.00 39.48 39.65 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 2.59 0.29 -0.01 -1.08 4.39 -1.66 -3.03 114.58 116.07 1vle h GLU 230 Ca -0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1vle h GLU 230 Cb 1.29 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1vle h GLU 230 CO 0.33 0.31 -0.01 -1.13 -1.16 0.00 0.00 179.01 177.35 1vle n SER 231 N -4.38 1.48 -0.26 1.42 3.41 -1.26 -4.36 113.62 109.68 1vle n SER 231 Ca 0.00 -1.47 0.02 0.00 -0.26 0.00 0.00 58.87 57.15 1vle n SER 231 Cb 0.17 0.01 0.14 0.00 -0.26 0.00 0.00 64.21 64.27 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 2.31 0.54 1.12 4.04 -0.73 -1.92 -1.71 115.58 119.23 1vle h ASN 232 Ca 0.00 0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 1vle h ASN 232 Cb 0.50 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.05 1vle h ASN 232 CO 0.00 0.31 -0.08 -0.29 -0.37 0.00 0.00 177.43 177.00 1vle h ILE 233 N 0.67 0.19 -0.22 2.57 2.10 -1.83 -2.73 117.51 118.25 1vle h ILE 233 Ca 0.36 -0.79 -0.20 0.00 1.08 0.00 0.00 64.86 65.31 1vle h ILE 233 Cb 0.35 1.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 1vle h ILE 233 CO -0.25 0.08 -0.65 0.03 -1.08 0.00 0.00 178.15 176.27 1vle h ARG 234 N 0.00 0.82 0.00 2.19 3.08 -1.59 -1.49 114.38 117.40 1vle h ARG 234 Ca -0.00 -0.59 -0.12 0.00 0.07 0.00 0.00 59.98 59.35 1vle h ARG 234 Cb 0.66 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1vle h ARG 234 CO 0.01 1.21 -0.55 0.00 -1.07 0.00 0.00 179.97 179.57 1vle h ARG 235 N 0.60 0.00 -0.69 0.04 3.08 -1.47 -1.66 114.38 114.28 1vle h ARG 235 Ca -0.02 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1vle h ARG 235 Cb 1.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 1vle h ARG 235 CO 0.14 0.55 0.13 0.37 -1.07 0.00 0.00 179.97 180.09 1vle h GLN 236 N 0.00 1.13 0.00 0.04 5.75 -1.29 0.25 115.11 120.98 1vle h GLN 236 Ca -0.01 -0.29 -0.00 0.00 -0.15 0.00 0.00 58.65 58.20 1vle h GLN 236 Cb 1.11 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.52 1vle h GLN 236 CO 0.07 1.02 -0.00 -1.49 -2.65 0.00 0.00 178.83 175.78 1vle h TRP 237 N 1.06 -0.00 -0.13 3.99 6.55 -0.94 -0.12 115.95 126.35 1vle h TRP 237 Ca 0.21 -0.00 0.03 0.00 0.95 0.00 0.00 58.89 60.08 1vle h TRP 237 Cb 0.42 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.69 1vle h TRP 237 CO 0.03 0.19 -0.06 -0.07 -1.05 0.00 0.00 178.44 177.48 1vle h LEU 238 N -0.20 -0.21 -0.93 -4.49 3.38 -1.05 -0.64 115.31 111.17 1vle h LEU 238 Ca -0.00 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1vle h LEU 238 Cb 0.20 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 1vle h LEU 238 CO 0.00 -0.09 0.57 0.50 0.09 0.00 0.00 178.44 179.51 1vle h LYS 239 N -0.05 0.92 0.00 1.13 3.64 -0.41 0.13 116.57 121.93 1vle h LYS 239 Ca 0.08 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1vle h LYS 239 Cb 0.16 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1vle h LYS 239 CO -0.17 0.61 0.00 -0.25 -2.27 0.00 0.00 179.45 177.37 1vle n ASP 240 N -4.65 0.71 -0.29 4.20 8.00 -0.07 -2.15 116.55 122.31 1vle n ASP 240 Ca 0.16 0.63 0.14 0.00 0.71 0.00 0.00 54.79 56.42 1vle n ASP 240 Cb 0.28 -0.80 0.47 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.23 1.05 0.00 0.64 4.77 0.42 -4.92 117.00 116.73 1vle n LEU 241 Ca 0.03 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1vle n LEU 241 Cb 0.30 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1vle n LEU 241 CO 0.24 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1vle n GLY 242 N 1.27 0.75 3.69 -0.72 0.00 -0.91 -5.05 105.19 104.22 1vle n GLY 242 Ca 0.15 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 4.75 0.28 1.61 1.01 -0.91 -4.93 120.40 120.20 1vle s VAL 243 Ca 0.00 2.01 -0.29 0.00 0.00 0.00 0.00 61.98 63.70 1vle s VAL 243 Cb 0.00 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 1vle s VAL 243 CO 0.00 0.02 1.00 -1.81 0.00 0.00 0.00 175.10 174.32 1vle s ASP 244 N 1.11 7.41 -0.24 3.32 1.01 -0.83 -4.48 116.67 123.98 1vle s ASP 244 Ca 0.49 2.06 -0.01 0.00 0.71 0.00 0.00 52.55 55.80 1vle s ASP 244 Cb -0.19 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.15 1vle s ASP 244 CO 0.20 -0.02 -0.08 -0.36 0.21 0.00 0.00 175.17 175.11 1vle s PHE 245 N -1.26 3.03 -0.13 4.23 2.99 -1.26 -1.18 117.98 124.39 1vle s PHE 245 Ca 0.45 -1.58 -0.02 0.00 0.00 0.00 0.00 56.93 55.78 1vle s PHE 245 Cb -0.27 -2.03 -0.02 0.00 0.00 0.00 0.00 43.02 40.70 1vle s PHE 245 CO 0.34 -0.74 -0.09 0.08 -0.00 0.00 0.00 175.22 174.81 1vle s VAL 246 N 1.31 3.46 -0.14 -0.44 1.01 -0.77 -0.98 120.40 123.85 1vle s VAL 246 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1vle s VAL 246 Cb -0.16 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1vle s VAL 246 CO -0.06 0.52 -0.14 -0.36 0.00 0.00 0.00 175.10 175.06 1vle s PHE 247 N 0.25 2.79 -0.32 5.22 0.40 -0.27 -0.45 117.98 125.60 1vle s PHE 247 Ca -0.06 -0.87 0.01 0.00 -0.60 0.00 0.00 56.93 55.42 1vle s PHE 247 Cb -0.15 -1.87 0.08 0.00 0.51 0.00 0.00 43.02 41.59 1vle s PHE 247 CO 0.04 -0.36 0.02 0.42 0.70 0.00 0.00 175.22 176.04 1vle s ILE 248 N 0.63 2.57 -0.28 0.64 1.01 -0.12 0.26 121.20 125.91 1vle s ILE 248 Ca -0.08 -1.89 -0.17 0.00 0.00 0.00 0.00 60.65 58.51 1vle s ILE 248 Cb -0.16 -2.68 0.08 0.00 0.01 0.00 0.00 42.46 39.72 1vle s ILE 248 CO 0.03 -0.35 0.70 -0.62 0.00 0.00 0.00 174.94 174.70 1vle s ASP 249 N 1.19 -0.92 0.41 3.58 -1.08 -0.29 -1.21 116.67 118.34 1vle s ASP 249 Ca 0.01 1.49 0.18 0.00 -0.52 0.00 0.00 52.55 53.72 1vle s ASP 249 Cb -0.20 1.39 1.09 0.00 -1.46 0.00 0.00 42.92 43.74 1vle s ASP 249 CO -0.05 -0.24 1.81 -0.65 0.52 0.00 0.00 175.17 176.56 1vle h PRO 250 N 6.81 0.40 -5.62 4.34 0.11 -1.77 -3.36 132.00 132.89 1vle h PRO 250 Ca -0.30 -0.02 -0.65 0.00 0.11 0.00 0.00 66.00 65.14 1vle h PRO 250 Cb 1.22 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 32.10 1vle h PRO 250 CO 0.15 0.26 -0.58 -1.58 -0.21 0.00 0.00 178.00 176.04 1vle s HIS 251 N -5.47 3.25 -1.15 0.65 5.65 -1.26 -4.06 115.29 112.89 1vle s HIS 251 Ca -0.09 0.16 -0.22 0.00 0.25 0.00 0.00 55.06 55.16 1vle s HIS 251 Cb 0.24 -1.93 -0.02 0.00 -1.18 0.00 0.00 32.58 29.69 1vle s HIS 251 CO 0.79 0.36 1.83 1.41 -0.65 0.00 0.00 174.74 178.48 1vle s MET 252 N -0.36 3.04 1.14 2.88 1.75 -0.63 -4.93 119.30 122.19 1vle s MET 252 Ca 0.08 -1.25 -0.16 0.00 -1.25 0.00 0.00 55.69 53.11 1vle s MET 252 Cb -0.12 -5.31 0.18 0.00 2.84 0.00 0.00 34.83 32.42 1vle s MET 252 CO 0.02 -3.21 0.42 0.27 -0.65 0.00 0.00 175.02 171.87 1vle n ASN 253 N 12.05 -2.13 0.26 1.11 0.23 -1.26 -4.48 115.26 121.05 1vle n ASN 253 Ca 0.44 -0.13 0.09 0.00 -0.53 0.00 0.00 54.58 54.45 1vle n ASN 253 Cb 0.47 -1.08 0.68 0.00 -2.08 0.00 0.00 39.78 37.77 1vle n ASN 253 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 1vle h HIS 254 N -2.32 0.00 -0.05 -2.53 3.86 -1.94 0.96 115.15 113.13 1vle h HIS 254 Ca -0.57 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.45 1vle h HIS 254 Cb 1.35 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.83 1vle h HIS 254 CO 0.20 0.00 -0.70 1.15 0.86 0.00 0.00 177.93 179.44 1vle h THR 255 N 0.00 1.36 -0.86 2.45 2.02 -1.90 -3.05 112.91 112.93 1vle h THR 255 Ca 0.01 -2.04 -0.02 0.00 0.77 0.00 0.00 66.41 65.13 1vle h THR 255 Cb 0.03 2.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 1vle h THR 255 CO -0.00 0.61 0.45 0.00 0.37 0.00 0.00 175.52 176.95 1vle h ALA 256 N 0.41 1.17 0.00 6.16 0.00 -1.61 -0.96 119.26 124.43 1vle h ALA 256 Ca -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1vle h ALA 256 Cb 1.37 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1vle h ALA 256 CO 0.14 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.98 1vle h ARG 257 N 1.21 0.00 0.06 0.00 3.08 -0.85 -1.46 114.38 116.42 1vle h ARG 257 Ca 0.30 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.98 1vle h ARG 257 Cb 0.06 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1vle h ARG 257 CO -0.04 0.06 -2.18 -0.11 -1.07 0.00 0.00 179.97 176.63 1vle n LEU 258 N -3.76 2.68 -0.24 3.04 7.94 -0.75 -4.79 117.00 121.12 1vle n LEU 258 Ca -0.02 0.09 0.02 0.00 -1.11 0.00 0.00 56.01 54.99 1vle n LEU 258 Cb 0.16 -1.01 0.03 0.00 0.53 0.00 0.00 43.42 43.14 1vle n LEU 258 CO 0.29 0.83 0.34 1.33 -1.11 0.00 0.00 177.39 179.07 1vle n VAL 259 N -3.51 0.49 -2.22 1.96 0.24 -0.44 -5.09 118.33 109.76 1vle n VAL 259 Ca -0.39 -0.57 -0.41 0.00 -2.04 0.00 0.00 64.34 60.93 1vle n VAL 259 Cb 0.99 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.80 1vle n VAL 259 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vle s ALA 260 N -0.69 3.50 -0.12 2.33 0.00 -0.55 -4.69 121.76 121.54 1vle s ALA 260 Ca 0.06 1.13 0.20 0.00 0.00 0.00 0.00 51.96 53.35 1vle s ALA 260 Cb 0.06 -3.46 -0.24 0.00 0.00 0.00 0.00 23.12 19.48 1vle s ALA 260 CO 0.01 -0.52 0.47 -0.25 0.00 0.00 0.00 175.76 175.47 1vle n ASP 261 N 1.89 0.26 -3.56 0.00 10.43 -0.15 -4.96 116.55 120.46 1vle n ASP 261 Ca 0.03 0.11 -0.15 0.00 2.57 0.00 0.00 54.79 57.35 1vle n ASP 261 Cb 0.43 1.16 -0.06 0.00 1.84 0.00 0.00 41.12 44.48 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 -3.05 0.91 -0.04 -1.24 2.47 -1.20 -5.04 119.74 112.54 1vle s LYS 262 Ca -0.07 0.43 0.01 0.00 -1.56 0.00 0.00 55.97 54.78 1vle s LYS 262 Cb 0.10 0.43 0.02 0.00 -1.46 0.00 0.00 37.83 36.92 1vle s LYS 262 CO 0.85 -0.24 -0.05 -0.46 0.16 0.00 0.00 175.35 175.61 1vle s TRP 263 N -0.75 0.78 -0.09 4.03 -0.00 -1.26 -1.11 118.94 120.55 1vle s TRP 263 Ca -0.06 -0.22 -0.01 0.00 -0.00 0.00 0.00 56.10 55.81 1vle s TRP 263 Cb -0.01 -0.66 -0.03 0.00 -0.00 0.00 0.00 33.47 32.76 1vle s TRP 263 CO 0.06 -0.17 -0.04 -0.06 -0.00 0.00 0.00 176.95 176.73 1vle s PHE 264 N 0.77 3.02 -0.64 5.86 0.08 0.14 -4.98 117.98 122.23 1vle s PHE 264 Ca -0.11 0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.02 1vle s PHE 264 Cb -0.14 -1.77 0.19 0.00 -0.57 0.00 0.00 43.02 40.73 1vle s PHE 264 CO 0.01 0.32 0.52 0.45 -0.10 0.00 0.00 175.22 176.42 1vle n SER 265 N 2.39 2.54 -4.77 1.36 2.88 -1.26 -1.14 113.62 115.62 1vle n SER 265 Ca -0.18 -3.11 -0.37 0.00 -1.33 0.00 0.00 58.87 53.88 1vle n SER 265 Cb 0.53 -0.71 -0.01 0.00 -0.75 0.00 0.00 64.21 63.27 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 -1.42 3.71 0.76 -1.46 0.04 -1.26 -4.65 135.00 130.72 1vle s PRO 266 Ca 0.29 1.77 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 1vle s PRO 266 Cb 0.01 -2.37 0.05 0.00 0.04 0.00 0.00 34.50 32.24 1vle s PRO 266 CO -0.15 -0.59 1.23 0.15 0.04 0.00 0.00 177.00 177.69 1vle s LYS 267 N -2.75 1.92 0.28 4.56 1.02 -0.61 -4.17 119.74 119.99 1vle s LYS 267 Ca 0.64 1.85 -0.30 0.00 0.02 0.00 0.00 55.97 58.19 1vle s LYS 267 Cb -0.28 -1.80 -0.13 0.00 -0.52 0.00 0.00 37.83 35.10 1vle s LYS 267 CO 0.34 -2.03 1.29 0.44 -0.92 0.00 0.00 175.35 174.48 1vle n ILE 268 N -2.87 1.47 -2.16 2.17 -5.35 -1.26 -2.46 119.36 108.90 1vle n ILE 268 Ca 0.14 -0.37 -0.16 0.00 -0.27 0.00 0.00 62.75 62.10 1vle n ILE 268 Cb 0.50 -1.40 -0.02 0.00 -1.74 0.00 0.00 39.64 36.98 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 1.53 0.04 0.00 3.28 0.00 -1.26 -4.58 105.19 104.19 1vle n GLY 269 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.76 0.73 -0.26 2.61 -2.24 -1.03 -4.44 114.28 105.89 1vle n THR 270 Ca -0.18 -0.76 0.01 0.00 -2.27 0.00 0.00 64.05 60.84 1vle n THR 270 Cb 0.62 0.66 0.14 0.00 -2.10 0.00 0.00 70.33 69.65 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 0.54 0.32 3.42 5.19 -1.91 -1.28 116.42 122.70 1vle h ASP 271 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1vle h ASP 271 Cb 0.55 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1vle h ASP 271 CO 0.00 0.32 0.00 0.00 -3.12 0.00 0.00 179.24 176.44 1vle n HIS 272 N -4.81 0.00 0.07 4.55 1.44 -1.26 -1.02 115.22 114.19 1vle n HIS 272 Ca 0.11 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.66 1vle n HIS 272 Cb 0.26 -0.48 -0.09 0.00 0.12 0.00 0.00 29.99 29.80 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 2.34 0.21 -0.17 1.59 0.00 -1.60 -2.18 119.26 119.45 1vle h ALA 273 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 54.91 54.04 1vle h ALA 273 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1vle h ALA 273 CO 0.00 0.79 -0.40 -0.07 0.00 0.00 0.00 179.25 179.57 1vle h LEU 274 N 0.25 0.65 -1.21 0.00 3.38 -1.12 -2.42 115.31 114.84 1vle h LEU 274 Ca -0.12 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 1vle h LEU 274 Cb 1.73 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 1vle h LEU 274 CO 0.19 1.10 0.36 0.77 0.09 0.00 0.00 178.44 180.95 1vle h SER 275 N 0.23 0.81 -0.08 -0.43 4.64 -1.42 -0.91 113.55 116.38 1vle h SER 275 Ca -0.00 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.12 1vle h SER 275 Cb 1.01 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1vle h SER 275 CO 0.09 0.65 -0.42 -0.26 -0.87 0.00 0.00 176.83 176.02 1vle h PHE 276 N 0.92 0.74 0.00 4.77 -1.00 -1.36 -1.90 116.94 119.11 1vle h PHE 276 Ca 0.23 -0.22 -0.09 0.00 2.81 0.00 0.00 57.97 60.70 1vle h PHE 276 Cb 0.02 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.41 1vle h PHE 276 CO 0.01 0.94 -0.45 0.00 -1.61 0.00 0.00 178.31 177.19 1vle h ALA 277 N 1.03 1.12 -0.08 2.45 0.00 -0.89 0.17 119.26 123.06 1vle h ALA 277 Ca 0.04 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1vle h ALA 277 Cb 0.94 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1vle h ALA 277 CO 0.09 0.56 -0.44 0.82 0.00 0.00 0.00 179.25 180.27 1vle h ILE 278 N 0.00 1.39 -0.64 0.00 2.04 -1.05 -1.54 117.51 117.72 1vle h ILE 278 Ca -0.00 -1.81 -0.03 0.00 1.00 0.00 0.00 64.86 64.01 1vle h ILE 278 Cb 0.87 2.28 -0.03 0.00 -0.74 0.00 0.00 36.82 39.20 1vle h ILE 278 CO 0.06 0.53 0.27 0.00 0.00 0.00 0.00 178.15 179.01 1vle h ALA 279 N 0.44 0.83 -0.50 1.87 0.00 -1.11 -1.29 119.26 119.49 1vle h ALA 279 Ca -0.03 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1vle h ALA 279 Cb 1.10 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1vle h ALA 279 CO 0.09 0.44 0.22 -0.92 0.00 0.00 0.00 179.25 179.08 1vle h TYR 280 N 0.90 0.40 -0.28 0.00 3.20 -0.61 0.30 116.97 120.87 1vle h TYR 280 Ca 0.21 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.13 1vle h TYR 280 Cb 0.19 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1vle h TYR 280 CO 0.01 0.17 0.14 1.15 -1.64 0.00 0.00 178.16 177.98 1vle h THR 281 N 0.43 0.99 -0.75 1.81 2.02 -0.76 -0.75 112.91 115.89 1vle h THR 281 Ca 0.23 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 1vle h THR 281 Cb 0.19 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1vle h THR 281 CO -0.20 0.05 0.32 -0.50 0.37 0.00 0.00 175.52 175.56 1vle h TRP 282 N 0.29 1.10 -0.25 3.16 6.55 -0.48 -0.83 115.95 125.49 1vle h TRP 282 Ca 0.12 -0.07 -0.04 0.00 0.95 0.00 0.00 58.89 59.85 1vle h TRP 282 Cb 0.04 -0.34 -0.01 0.00 -0.86 0.00 0.00 29.16 28.00 1vle h TRP 282 CO -0.10 0.82 -0.01 -0.07 -1.05 0.00 0.00 178.44 178.03 1vle h LEU 283 N 1.07 0.44 -1.50 -4.49 3.38 -0.62 0.17 115.31 113.76 1vle h LEU 283 Ca 0.25 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1vle h LEU 283 Cb 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1vle h LEU 283 CO -0.03 0.65 -0.17 0.11 0.09 0.00 0.00 178.44 179.10 1vle h LYS 284 N 0.21 0.12 -0.39 1.13 1.79 -0.89 -2.97 116.57 115.57 1vle h LYS 284 Ca 0.07 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1vle h LYS 284 Cb 0.43 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1vle h LYS 284 CO 0.01 0.29 0.00 0.39 -1.08 0.00 0.00 179.45 179.06 1vle n GLU 285 N -4.29 2.48 -3.32 3.15 1.02 -0.34 -4.97 120.64 114.38 1vle n GLU 285 Ca -0.02 -2.10 -0.23 0.00 -0.02 0.00 0.00 57.16 54.79 1vle n GLU 285 Cb 0.26 -1.36 0.01 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.93 -4.27 -3.37 1.62 9.92 0.43 -4.88 116.55 116.93 1vle n ASP 286 Ca 0.15 -0.39 -0.39 0.00 -0.53 0.00 0.00 54.79 53.63 1vle n ASP 286 Cb 0.48 -3.50 0.02 0.00 -0.64 0.00 0.00 41.12 37.47 1vle n ASP 286 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1vle n SER 287 N -2.36 7.04 -3.74 -2.24 3.41 -0.30 -4.97 113.62 110.47 1vle n SER 287 Ca -0.03 -3.73 -0.11 0.00 -0.26 0.00 0.00 58.87 54.74 1vle n SER 287 Cb 0.56 -1.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.39 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 -4.17 0.66 -1.08 7.33 1.13 -1.26 -4.75 117.35 115.22 1vle s TYR 288 Ca 0.43 -0.98 -0.21 0.00 -1.41 0.00 0.00 57.07 54.90 1vle s TYR 288 Cb 0.26 0.05 0.07 0.00 -1.10 0.00 0.00 41.96 41.24 1vle s TYR 288 CO -0.20 -1.02 1.48 0.34 -2.51 0.00 0.00 175.55 173.64 1vle s ASP 289 N -3.11 6.60 0.24 -0.18 -1.08 0.79 -4.84 116.67 115.10 1vle s ASP 289 Ca 0.27 -1.76 -0.03 0.00 -0.52 0.00 0.00 52.55 50.50 1vle s ASP 289 Cb 0.00 -2.55 0.28 0.00 -1.46 0.00 0.00 42.92 39.19 1vle s ASP 289 CO 0.13 -1.37 1.74 0.11 0.52 0.00 0.00 175.17 176.30 1vle h LYS 290 N 9.15 0.86 -0.21 4.34 1.57 -1.96 -1.42 116.57 128.91 1vle h LYS 290 Ca 0.25 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1vle h LYS 290 Cb 0.98 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1vle h LYS 290 CO 1.40 0.85 0.09 0.93 -0.57 0.00 0.00 179.45 182.15 1vle h GLU 291 N 0.80 0.31 -0.12 3.15 3.07 -1.98 -0.48 114.58 119.34 1vle h GLU 291 Ca 0.16 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.98 1vle h GLU 291 Cb 0.46 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1vle h GLU 291 CO 0.02 0.36 -0.01 -0.92 -1.40 0.00 0.00 179.01 177.06 1vle h TYR 292 N 0.19 -0.02 -0.66 4.33 3.20 -1.92 -1.79 116.97 120.30 1vle h TYR 292 Ca 0.07 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1vle h TYR 292 Cb 0.16 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1vle h TYR 292 CO -0.01 -0.03 0.32 0.28 -1.64 0.00 0.00 178.16 177.08 1vle h VAL 293 N 0.03 1.22 -0.19 1.81 2.07 -1.13 0.28 116.25 120.34 1vle h VAL 293 Ca 0.06 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 1vle h VAL 293 Cb 0.07 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1vle h VAL 293 CO -0.10 0.26 -0.08 0.00 0.02 0.00 0.00 177.57 177.66 1vle h ALA 294 N 1.15 1.51 0.12 1.67 0.00 -0.87 -0.45 119.26 122.39 1vle h ALA 294 Ca 0.23 -0.19 -0.33 0.00 0.00 0.00 0.00 54.91 54.62 1vle h ALA 294 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1vle h ALA 294 CO -0.03 0.35 -1.74 0.00 0.00 0.00 0.00 179.25 177.83 1vle h ALA 295 N 1.64 0.36 -0.26 0.00 0.00 -0.89 -3.41 119.26 116.70 1vle h ALA 295 Ca 0.06 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1vle h ALA 295 Cb 0.33 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1vle h ALA 295 CO 0.02 1.22 0.00 0.09 0.00 0.00 0.00 179.25 180.58 1vle n ASN 296 N -3.44 2.78 -4.34 0.00 3.02 0.96 -5.01 115.26 109.23 1vle n ASN 296 Ca -0.23 -2.10 -0.30 0.00 -0.03 0.00 0.00 54.58 51.92 1vle n ASN 296 Cb 1.05 -0.21 -0.15 0.00 -0.61 0.00 0.00 39.78 39.87 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 -1.18 2.22 -0.06 5.41 0.00 -0.18 -1.03 121.76 126.94 1vle s ALA 297 Ca 0.20 -1.26 0.06 0.00 0.00 0.00 0.00 51.96 50.95 1vle s ALA 297 Cb 0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 1vle s ALA 297 CO 0.11 0.52 -0.25 -1.58 0.00 0.00 0.00 175.76 174.57 1vle s HIS 298 N -0.81 2.43 -0.05 0.00 5.04 -0.38 -4.64 115.29 116.88 1vle s HIS 298 Ca 0.12 -0.73 0.00 0.00 -1.54 0.00 0.00 55.06 52.91 1vle s HIS 298 Cb -0.10 -1.59 0.00 0.00 0.04 0.00 0.00 32.58 30.93 1vle s HIS 298 CO 0.02 -0.22 0.00 0.41 -2.34 0.00 0.00 174.74 172.61 1vle n GLY 299 N 2.96 0.40 0.33 1.59 0.00 -1.26 -1.38 105.19 107.82 1vle n GLY 299 Ca -0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 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 0.94 0.00 1.61 3.57 -1.92 -1.93 116.94 119.21 1vle h PHE 300 Ca -0.01 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1vle h PHE 300 Cb 0.28 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1vle h PHE 300 CO 0.17 0.70 -0.08 0.93 -2.23 0.00 0.00 178.31 177.80 1vle h GLU 301 N 0.93 -0.13 -0.63 1.11 3.07 -1.96 0.23 114.58 117.20 1vle h GLU 301 Ca 0.23 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.06 1vle h GLU 301 Cb 0.13 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 1vle h GLU 301 CO -0.03 -0.09 0.27 0.93 -1.40 0.00 0.00 179.01 178.69 1vle h GLU 302 N -0.14 0.94 -0.62 2.33 3.07 -1.95 -2.15 114.58 116.07 1vle h GLU 302 Ca 0.03 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1vle h GLU 302 Cb 0.17 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 1vle h GLU 302 CO -0.08 0.78 0.39 2.35 -1.40 0.00 0.00 179.01 181.05 1vle h TRP 303 N 0.88 0.79 -0.45 4.33 7.01 -0.91 -1.97 115.95 125.64 1vle h TRP 303 Ca 0.21 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.26 1vle h TRP 303 Cb 0.18 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 1vle h TRP 303 CO 0.01 0.52 0.22 0.00 -2.79 0.00 0.00 178.44 176.40 1vle h ALA 304 N 1.21 0.56 -0.03 2.65 0.00 -0.25 -0.20 119.26 123.20 1vle h ALA 304 Ca 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1vle h ALA 304 Cb -0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1vle h ALA 304 CO -0.04 -0.14 -0.02 -0.44 0.00 0.00 0.00 179.25 178.61 1vle h ASP 305 N 0.44 0.04 -0.18 0.00 3.32 -0.91 -0.67 116.42 118.46 1vle h ASP 305 Ca 0.19 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.10 1vle h ASP 305 Cb 0.11 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1vle h ASP 305 CO -0.14 0.07 -0.44 0.22 -1.72 0.00 0.00 179.24 177.23 1vle h TYR 306 N 0.04 0.78 -0.35 4.55 3.20 -0.41 -0.14 116.97 124.64 1vle h TYR 306 Ca 0.01 -0.30 -0.05 0.00 3.14 0.00 0.00 58.73 61.53 1vle h TYR 306 Cb 0.06 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1vle h TYR 306 CO 0.00 1.06 0.01 0.28 -1.64 0.00 0.00 178.16 177.87 1vle h VAL 307 N 0.28 1.20 0.00 1.81 2.07 -0.32 -2.07 116.25 119.21 1vle h VAL 307 Ca -0.00 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1vle h VAL 307 Cb 1.05 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1vle h VAL 307 CO 0.10 0.27 0.00 0.18 0.02 0.00 0.00 177.57 178.14 1vle n LEU 308 N -4.28 0.00 0.00 2.57 4.77 -0.33 -1.85 117.00 117.88 1vle n LEU 308 Ca 0.02 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1vle n LEU 308 Cb 0.24 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1vle n LEU 308 CO 0.39 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1vle n GLY 309 N 0.98 0.75 0.27 -0.72 0.00 -0.78 -4.20 105.19 101.49 1vle n GLY 309 Ca 0.08 0.00 0.16 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 3.11 0.00 0.00 1.61 1.57 -1.24 -0.52 116.57 121.10 1vle h LYS 310 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 1vle h LYS 310 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 1vle h LYS 310 CO 0.00 0.07 -2.41 0.25 -0.57 0.00 0.00 179.45 176.79 1vle n THR 311 N -3.26 1.42 0.14 -0.16 -2.24 -1.24 -4.59 114.28 104.34 1vle n THR 311 Ca -0.01 -0.56 0.07 0.00 -2.27 0.00 0.00 64.05 61.29 1vle n THR 311 Cb 0.28 -1.34 0.14 0.00 -2.10 0.00 0.00 70.33 67.31 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 -3.20 2.81 -1.15 3.42 3.85 -1.25 -4.97 116.55 116.06 1vle n ASP 312 Ca -0.43 -1.83 -0.14 0.00 -0.71 0.00 0.00 54.79 51.68 1vle n ASP 312 Cb 0.98 -0.18 -0.05 0.00 -1.35 0.00 0.00 41.12 40.52 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 0.85 1.08 2.62 6.12 0.00 -0.21 -4.98 105.19 110.67 1vle n GLY 313 Ca 0.13 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1vle n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vle s THR 314 N -2.54 0.82 0.24 2.61 2.01 -1.19 -5.02 115.64 112.56 1vle s THR 314 Ca 0.00 -2.03 -0.31 0.00 0.31 0.00 0.00 61.69 59.66 1vle s THR 314 Cb 0.00 -1.59 -0.11 0.00 0.01 0.00 0.00 72.50 70.81 1vle s THR 314 CO 0.00 -0.90 1.62 -2.84 -0.69 0.00 0.00 174.62 171.81 1vle s PRO 315 N 0.84 4.15 -1.54 4.92 0.02 -1.26 -4.09 135.00 138.04 1vle s PRO 315 Ca 0.16 2.53 -0.10 0.00 0.02 0.00 0.00 61.00 63.61 1vle s PRO 315 Cb -0.23 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.20 1vle s PRO 315 CO -0.04 -0.65 2.67 1.63 -0.33 0.00 0.00 177.00 180.28 1vle n LYS 316 N 3.07 3.58 -1.44 5.54 4.76 -0.77 -4.83 118.16 128.07 1vle n LYS 316 Ca 0.11 -2.50 -0.30 0.00 -2.87 0.00 0.00 58.31 52.76 1vle n LYS 316 Cb 0.37 -2.91 0.12 0.00 -1.84 0.00 0.00 35.03 30.76 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 1.99 2.73 0.36 -0.18 -4.23 -1.26 -3.61 115.64 111.44 1vle s THR 317 Ca 0.61 0.24 0.10 0.00 -1.18 0.00 0.00 61.69 61.46 1vle s THR 317 Cb 0.17 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 71.21 1vle s THR 317 CO -0.07 -0.31 1.83 0.00 -0.54 0.00 0.00 174.62 175.53 1vle h GLU 319 N 0.11 0.75 -0.70 0.00 3.07 -1.92 0.77 114.58 116.67 1vle h GLU 319 Ca 0.02 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 1vle h GLU 319 Cb 0.60 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 1vle h GLU 319 CO 0.04 0.75 0.34 2.35 -1.40 0.00 0.00 179.01 181.09 1vle h TRP 320 N 0.63 0.99 -0.10 4.33 7.01 -1.74 -2.00 115.95 125.07 1vle h TRP 320 Ca 0.15 -0.04 -0.09 0.00 2.11 0.00 0.00 58.89 61.01 1vle h TRP 320 Cb 0.33 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1vle h TRP 320 CO 0.02 0.73 -0.33 0.00 -2.79 0.00 0.00 178.44 176.07 1vle h ALA 321 N 1.17 1.25 -0.41 2.65 0.00 -0.72 -2.39 119.26 120.81 1vle h ALA 321 Ca 0.24 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1vle h ALA 321 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1vle h ALA 321 CO -0.03 0.51 -0.24 1.49 0.00 0.00 0.00 179.25 180.98 1vle h GLU 322 N 0.18 0.88 -0.24 0.00 4.81 -0.46 0.20 114.58 119.94 1vle h GLU 322 Ca 0.02 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 58.82 1vle h GLU 322 Cb 0.68 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1vle h GLU 322 CO 0.05 1.05 0.04 1.49 -0.73 0.00 0.00 179.01 180.91 1vle h GLU 323 N 0.70 0.35 0.00 1.92 4.81 -1.07 0.32 114.58 121.60 1vle h GLU 323 Ca 0.09 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1vle h GLU 323 Cb 0.81 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1vle h GLU 323 CO 0.07 0.35 -0.05 0.93 -0.73 0.00 0.00 179.01 179.57 1vle h GLU 324 N 0.35 0.00 0.00 1.92 4.39 -1.12 -3.41 114.58 116.71 1vle h GLU 324 Ca 0.08 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.54 1vle h GLU 324 Cb 0.17 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1vle h GLU 324 CO -0.00 0.94 -1.70 -1.13 -1.16 0.00 0.00 179.01 175.96 1vle n SER 325 N -4.61 0.72 0.00 1.42 3.41 0.68 -4.78 113.62 110.45 1vle n SER 325 Ca -0.10 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1vle n SER 325 Cb 0.46 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1vle n SER 325 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vle n GLY 326 N 1.51 0.91 3.74 5.00 0.00 0.11 -1.57 105.19 114.90 1vle n GLY 326 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.50 4.82 0.18 1.61 1.01 -1.26 -5.01 120.40 119.26 1vle s VAL 327 Ca 0.00 1.58 -0.33 0.00 0.00 0.00 0.00 61.98 63.23 1vle s VAL 327 Cb 0.00 -4.09 -0.14 0.00 0.00 0.00 0.00 36.38 32.15 1vle s VAL 327 CO 0.00 0.34 1.47 -2.65 0.00 0.00 0.00 175.10 174.26 1vle n PRO 328 N 3.05 1.95 -0.19 2.72 -0.02 -1.26 -4.10 135.00 137.15 1vle n PRO 328 Ca -0.02 0.70 -0.03 0.00 -2.02 0.00 0.00 63.50 62.13 1vle n PRO 328 Cb 0.51 -2.40 0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1vle n PRO 328 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vle h ALA 329 N 5.03 0.73 -0.75 3.55 0.00 -1.93 -1.85 119.26 124.04 1vle h ALA 329 Ca -0.45 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1vle h ALA 329 Cb 1.27 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1vle h ALA 329 CO 0.82 -0.09 0.49 0.00 0.00 0.00 0.00 179.25 180.47 1vle h GLU 331 N 0.86 0.75 -0.35 0.00 5.08 -1.74 0.12 114.58 119.29 1vle h GLU 331 Ca 0.31 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1vle h GLU 331 Cb 0.14 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1vle h GLU 331 CO -0.10 1.14 0.11 0.82 -1.00 0.00 0.00 179.01 179.99 1vle h ILE 332 N 0.56 1.21 -0.53 3.13 2.04 -0.79 -0.90 117.51 122.22 1vle h ILE 332 Ca -0.01 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 1vle h ILE 332 Cb 1.21 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1vle h ILE 332 CO 0.13 0.23 0.09 -0.09 0.00 0.00 0.00 178.15 178.51 1vle h ARG 333 N 0.42 0.88 -0.97 2.37 2.43 -1.11 -1.08 114.38 117.32 1vle h ARG 333 Ca 0.11 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1vle h ARG 333 Cb 0.25 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1vle h ARG 333 CO -0.00 0.85 0.63 0.00 -1.51 0.00 0.00 179.97 179.95 1vle h ALA 334 N 0.99 1.27 -0.14 2.80 0.00 -0.76 -1.23 119.26 122.18 1vle h ALA 334 Ca 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1vle h ALA 334 Cb 0.40 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1vle h ALA 334 CO 0.01 0.54 0.02 1.25 0.00 0.00 0.00 179.25 181.07 1vle h LEU 335 N 1.25 0.23 -0.24 0.00 5.85 -0.77 -2.06 115.31 119.57 1vle h LEU 335 Ca 0.38 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1vle h LEU 335 Cb -0.04 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 1vle h LEU 335 CO -0.11 0.44 -0.18 0.00 -0.34 0.00 0.00 178.44 178.26 1vle h ALA 336 N 0.79 -0.01 -0.43 1.25 0.00 -0.67 0.28 119.26 120.47 1vle h ALA 336 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1vle h ALA 336 Cb 0.32 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1vle h ALA 336 CO 0.00 -0.59 0.27 0.00 0.00 0.00 0.00 179.25 178.93 1vle h ARG 337 N -0.17 0.58 -0.53 0.00 3.08 -1.23 -0.94 114.38 115.17 1vle h ARG 337 Ca 0.14 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1vle h ARG 337 Cb 0.37 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1vle h ARG 337 CO -0.34 0.41 0.15 0.37 -1.07 0.00 0.00 179.97 179.49 1vle h GLN 338 N 0.57 0.83 -0.36 0.04 5.75 -0.91 -2.40 115.11 118.64 1vle h GLN 338 Ca 0.16 -0.19 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 1vle h GLN 338 Cb -0.03 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 1vle h GLN 338 CO -0.03 0.77 0.13 2.35 -2.65 0.00 0.00 178.83 179.40 1vle h TRP 339 N 0.74 0.23 -0.91 3.99 2.91 -0.18 -1.35 115.95 121.38 1vle h TRP 339 Ca 0.17 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.20 1vle h TRP 339 Cb 0.30 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.85 1vle h TRP 339 CO 0.02 0.10 0.53 0.00 -1.03 0.00 0.00 178.44 178.06 1vle h ALA 340 N 1.22 1.16 0.00 2.65 0.00 -0.92 -3.22 119.26 120.15 1vle h ALA 340 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vle h ALA 340 Cb 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1vle h ALA 340 CO -0.16 0.63 -0.86 0.36 0.00 0.00 0.00 179.25 179.23 1vle n LYS 341 N -4.37 0.33 -4.10 0.00 2.85 -0.92 -4.92 118.16 107.03 1vle n LYS 341 Ca 0.10 0.05 -0.25 0.00 -1.05 0.00 0.00 58.31 57.16 1vle n LYS 341 Cb 0.07 -1.66 -0.05 0.00 -0.65 0.00 0.00 35.03 32.74 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 -3.21 2.87 -0.52 -1.58 -0.14 -0.53 -5.02 119.74 111.61 1vle s LYS 342 Ca 0.04 -0.96 -0.27 0.00 -1.36 0.00 0.00 55.97 53.42 1vle s LYS 342 Cb 0.13 -2.59 -0.01 0.00 -1.68 0.00 0.00 37.83 33.68 1vle s LYS 342 CO 0.77 0.45 1.77 -0.80 -0.76 0.00 0.00 175.35 176.78 1vle s ASN 343 N -3.36 5.58 -0.11 2.83 0.01 -1.26 -4.82 114.94 113.80 1vle s ASN 343 Ca 0.31 0.60 0.01 0.00 -0.71 0.00 0.00 52.86 53.07 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 0.24 -2.08 -0.13 -0.89 -1.51 0.00 0.00 177.10 172.72 1vle s THR 344 N 7.99 3.09 -0.13 1.60 2.01 -1.05 -1.55 115.64 127.60 1vle s THR 344 Ca 0.68 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 1vle s THR 344 Cb -0.15 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1vle s THR 344 CO 0.25 0.54 0.04 -0.31 -0.69 0.00 0.00 174.62 174.45 1vle s TYR 345 N 0.10 3.25 -0.42 4.92 1.51 -0.52 -3.85 117.35 122.33 1vle s TYR 345 Ca -0.06 0.15 -0.19 0.00 -1.01 0.00 0.00 57.07 55.96 1vle s TYR 345 Cb -0.15 -1.94 0.02 0.00 -0.11 0.00 0.00 41.96 39.78 1vle s TYR 345 CO 0.04 0.34 0.54 -1.17 -1.11 0.00 0.00 175.55 174.20 1vle s LEU 346 N -0.30 4.64 -1.23 -1.29 2.96 -0.32 -1.35 118.68 121.79 1vle s LEU 346 Ca 0.08 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.43 1vle s LEU 346 Cb -0.12 -2.57 0.19 0.00 0.50 0.00 0.00 46.19 44.19 1vle s LEU 346 CO 0.02 -0.67 1.64 0.00 -1.32 0.00 0.00 176.35 176.02 1vle n ALA 347 N 5.93 4.74 -2.64 5.97 0.00 0.13 -1.09 120.51 133.54 1vle n ALA 347 Ca -0.04 -4.35 -0.42 0.00 0.00 0.00 0.00 53.44 48.62 1vle n ALA 347 Cb 0.48 -2.92 -0.03 0.00 0.00 0.00 0.00 19.45 16.97 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 0.44 3.60 0.10 0.00 0.00 -1.26 -0.70 121.76 123.95 1vle s ALA 348 Ca 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1vle s ALA 348 Cb 0.03 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1vle s ALA 348 CO 0.01 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1vle n GLY 349 N 3.76 -2.60 0.22 0.00 0.00 -0.47 -0.72 105.19 105.38 1vle n GLY 349 Ca 0.08 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.84 1vle n GLY 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vle h GLY 350 N -0.24 0.00 0.22 -0.02 0.00 -1.71 -3.33 103.07 97.99 1vle h GLY 350 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.00 1vle h GLY 350 CO 0.01 0.00 -2.16 -0.10 0.00 0.00 0.00 176.54 174.29 1vle n LEU 351 N -3.03 0.20 0.00 3.11 7.94 -1.26 -3.96 117.00 119.99 1vle n LEU 351 Ca 0.04 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 1vle n LEU 351 Cb 0.49 0.36 0.00 0.00 0.53 0.00 0.00 43.42 44.80 1vle n LEU 351 CO 0.33 0.39 0.00 0.61 -1.11 0.00 0.00 177.39 177.61 1vle n GLY 352 N 1.63 0.79 0.00 -3.96 0.00 -1.24 -4.51 105.19 97.90 1vle n GLY 352 Ca -0.25 -0.61 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 -0.70 7.00 -0.02 0.00 0.10 -4.19 105.19 107.38 1vle n GLY 353 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.43 -0.19 0.00 1.61 8.01 -1.26 -3.79 117.44 121.40 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 0.09 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 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 2.47 0.37 6.99 0.00 -1.26 -4.05 105.19 109.72 1vle n GLY 355 Ca 0.00 -1.44 0.18 0.00 0.00 0.00 0.00 46.02 44.75 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 0.18 1.62 -0.02 0.00 -1.94 -0.88 103.07 102.02 1vle h GLY 356 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.32 1vle h GLY 356 CO 0.00 0.02 0.15 0.00 0.00 0.00 0.00 176.54 176.71 1vle h ALA 357 N 1.73 1.78 0.00 3.60 0.00 -1.88 -2.19 119.26 122.31 1vle h ALA 357 Ca 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1vle h ALA 357 Cb 0.87 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1vle h ALA 357 CO -0.03 -0.22 -0.20 0.00 0.00 0.00 0.00 179.25 178.80 1vle n ARG 359 N -3.23 2.82 -3.86 0.00 1.85 -0.82 -0.64 116.66 112.77 1vle n ARG 359 Ca 0.02 -4.52 -0.08 0.00 -1.00 0.00 0.00 57.85 52.27 1vle n ARG 359 Cb 0.51 -2.39 -0.02 0.00 -1.05 0.00 0.00 32.46 29.51 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 -1.75 -1.05 0.64 2.89 0.00 -1.24 -1.33 121.76 119.92 1vle s ALA 360 Ca 0.30 -0.44 0.36 0.00 0.00 0.00 0.00 51.96 52.18 1vle s ALA 360 Cb -0.02 0.84 2.00 0.00 0.00 0.00 0.00 23.12 25.94 1vle s ALA 360 CO -0.08 -1.01 2.19 0.66 0.00 0.00 0.00 175.76 177.51 1vle h SER 361 N 2.02 0.00 -0.37 0.00 4.64 -1.84 -0.50 113.55 117.51 1vle h SER 361 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 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 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.23 1vle n HIS 362 N -3.28 0.60 -0.31 4.77 1.44 -1.26 -4.51 115.22 112.67 1vle n HIS 362 Ca -0.02 -0.56 0.19 0.00 -2.01 0.00 0.00 57.72 55.32 1vle n HIS 362 Cb 0.21 -0.08 0.45 0.00 0.12 0.00 0.00 29.99 30.69 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 2.18 1.34 0.74 -1.39 0.00 -1.14 -1.44 103.07 103.36 1vle h GLY 363 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1vle h GLY 363 CO 0.04 -0.09 -0.13 -2.22 0.00 0.00 0.00 176.54 174.15 1vle h ILE 364 N 0.52 0.77 0.00 2.60 2.04 -1.80 -2.62 117.51 119.02 1vle h ILE 364 Ca 0.56 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 1vle h ILE 364 Cb 1.22 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1vle h ILE 364 CO -0.30 0.10 -0.31 -0.33 0.00 0.00 0.00 178.15 177.32 1vle h GLU 365 N -0.63 0.00 0.10 2.37 4.39 -1.81 -0.99 114.58 118.01 1vle h GLU 365 Ca -0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1vle h GLU 365 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1vle h GLU 365 CO 0.06 0.31 -0.05 2.35 -1.16 0.00 0.00 179.01 180.52 1vle h TRP 366 N 0.00 -0.13 -0.07 4.33 7.01 -1.25 0.12 115.95 125.97 1vle h TRP 366 Ca -0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1vle h TRP 366 Cb 0.64 0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.73 1vle h TRP 366 CO 0.00 0.13 0.04 0.00 -2.79 0.00 0.00 178.44 175.83 1vle h ALA 367 N 0.49 0.08 0.00 2.65 0.00 -1.27 0.78 119.26 122.00 1vle h ALA 367 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1vle h ALA 367 Cb 0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1vle h ALA 367 CO 0.02 -0.42 -0.06 0.00 0.00 0.00 0.00 179.25 178.80 1vle h ARG 368 N 0.09 0.00 -0.20 0.00 3.08 -1.15 -1.62 114.38 114.57 1vle h ARG 368 Ca 0.02 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.87 1vle h ARG 368 Cb -0.01 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.05 1vle h ARG 368 CO -0.01 0.06 -0.69 0.78 -1.07 0.00 0.00 179.97 179.04 1vle h GLY 369 N 0.21 0.89 1.51 0.04 0.00 0.44 0.15 103.07 106.31 1vle h GLY 369 Ca -0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 47.33 46.10 1vle h GLY 369 CO 0.01 1.05 -0.02 -0.33 0.00 0.00 0.00 176.54 177.24 1vle h MET 370 N 0.58 0.61 -0.16 4.80 2.86 -0.01 -1.16 114.93 122.46 1vle h MET 370 Ca -0.03 -0.15 -0.17 0.00 -2.06 0.00 0.00 59.70 57.30 1vle h MET 370 Cb 1.31 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.90 1vle h MET 370 CO 0.14 0.65 -0.56 0.82 1.06 0.00 0.00 176.91 179.02 1vle h ILE 371 N 0.57 1.32 0.10 -1.22 2.04 -1.24 -1.91 117.51 117.18 1vle h ILE 371 Ca 0.12 -1.81 0.02 0.00 1.00 0.00 0.00 64.86 64.18 1vle h ILE 371 Cb 0.40 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1vle h ILE 371 CO 0.02 0.56 -0.20 0.00 0.00 0.00 0.00 178.15 178.53 1vle h ALA 372 N 0.54 -0.33 -0.61 1.87 0.00 -0.59 0.64 119.26 120.78 1vle h ALA 372 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1vle h ALA 372 Cb 1.19 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1vle h ALA 372 CO 0.12 -0.73 0.35 -0.07 0.00 0.00 0.00 179.25 178.92 1vle h LEU 373 N -0.38 0.75 -1.06 0.00 4.07 -1.26 -0.96 115.31 116.47 1vle h LEU 373 Ca 0.03 -0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.82 1vle h LEU 373 Cb 0.40 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1vle h LEU 373 CO -0.12 0.61 -0.26 0.00 -1.08 0.00 0.00 178.44 177.60 1vle h ALA 374 N 1.17 1.21 -0.10 1.53 0.00 -1.14 -2.76 119.26 119.18 1vle h ALA 374 Ca 0.22 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1vle h ALA 374 Cb 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1vle h ALA 374 CO -0.04 0.52 -0.12 1.15 0.00 0.00 0.00 179.25 180.76 1vle h THR 375 N 0.32 1.38 -0.05 0.00 2.02 -0.50 -1.07 112.91 115.00 1vle h THR 375 Ca 0.05 -1.33 0.01 0.00 0.77 0.00 0.00 66.41 65.91 1vle h THR 375 Cb 0.63 2.03 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1vle h THR 375 CO 0.05 0.38 0.04 0.24 0.37 0.00 0.00 175.52 176.60 1vle h MET 376 N -0.17 0.00 -0.42 6.66 2.07 -1.09 -0.15 114.93 121.83 1vle h MET 376 Ca 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1vle h MET 376 Cb 0.67 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.40 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 -4.16 2.12 -2.61 1.72 1.13 -1.05 -0.15 117.38 114.38 1vle n GLN 377 Ca -0.02 -1.72 -0.09 0.00 -1.94 0.00 0.00 57.00 53.24 1vle n GLN 377 Cb 0.14 -1.41 0.04 0.00 0.11 0.00 0.00 30.24 29.13 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 1.29 -0.09 3.69 1.08 0.00 -0.07 -4.80 105.19 106.30 1vle n GLY 378 Ca 0.17 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.56 2.27 0.00 1.61 0.00 -0.42 -2.97 117.12 115.05 1vle n MET 379 Ca -0.10 0.81 0.00 0.00 0.00 0.00 0.00 57.70 58.41 1vle n MET 379 Cb 0.58 -2.52 0.00 0.00 0.00 0.00 0.00 33.22 31.28 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 2.30 1.39 3.88 3.17 0.00 -0.20 -4.50 105.19 111.22 1vle n GLY 380 Ca 0.11 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 3.66 0.14 1.61 -2.85 -1.16 -3.86 119.74 117.28 1vle s LYS 381 Ca 0.00 0.58 -0.35 0.00 -1.00 0.00 0.00 55.97 55.21 1vle s LYS 381 Cb 0.00 -2.22 -0.15 0.00 -2.06 0.00 0.00 37.83 33.41 1vle s LYS 381 CO 0.00 -0.35 1.51 -2.30 0.10 0.00 0.00 175.35 174.31 1vle n PRO 382 N -2.23 1.85 -0.83 1.78 -0.02 -1.26 -1.92 135.00 132.36 1vle n PRO 382 Ca 0.04 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1vle n PRO 382 Cb 0.54 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 3.15 0.70 3.11 -1.23 0.00 -1.26 -5.01 105.19 104.64 1vle n GLY 383 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.34 -0.02 -0.00 1.61 0.15 -0.81 -2.52 113.70 109.77 1vle s SER 384 Ca 0.00 0.68 -0.28 0.00 0.70 0.00 0.00 55.95 57.04 1vle s SER 384 Cb 0.00 1.21 0.10 0.00 -1.71 0.00 0.00 66.02 65.62 1vle s SER 384 CO 0.00 -0.26 1.27 0.21 1.20 0.00 0.00 173.24 175.66 1vle s ASN 385 N 2.57 -0.01 -0.32 5.45 3.84 -1.25 -1.04 114.94 124.19 1vle s ASN 385 Ca 0.04 -0.22 -0.12 0.00 0.21 0.00 0.00 52.86 52.77 1vle s ASN 385 Cb -0.13 0.17 -0.03 0.00 -0.55 0.00 0.00 41.25 40.71 1vle s ASN 385 CO -0.13 -0.33 0.21 -0.32 -2.79 0.00 0.00 177.10 173.73 1vle s MET 386 N -2.11 3.60 -0.21 0.43 -2.45 -1.26 -1.17 119.30 116.13 1vle s MET 386 Ca 0.26 -0.56 -0.10 0.00 -1.25 0.00 0.00 55.69 54.04 1vle s MET 386 Cb 0.00 -3.72 0.08 0.00 1.25 0.00 0.00 34.83 32.44 1vle s MET 386 CO -0.01 -0.36 0.50 -0.46 1.05 0.00 0.00 175.02 175.73 1vle s TRP 387 N 1.72 -0.83 -1.86 4.11 -0.00 -0.25 -4.90 118.94 116.93 1vle s TRP 387 Ca 0.06 1.64 0.19 0.00 -0.00 0.00 0.00 56.10 57.99 1vle s TRP 387 Cb -0.17 0.41 0.56 0.00 -0.00 0.00 0.00 33.47 34.28 1vle s TRP 387 CO 0.10 -0.45 1.47 0.43 -0.00 0.00 0.00 176.95 178.49 1vle n SER 388 N 4.71 3.48 0.00 5.86 7.64 -1.26 -3.11 113.62 130.94 1vle n SER 388 Ca -0.17 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.64 1vle n SER 388 Cb 0.54 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 1.26 0.00 -0.09 0.44 -2.24 -1.26 -4.84 114.28 107.54 1vle n THR 389 Ca 0.21 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.84 1vle n THR 389 Cb 0.57 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.26 1.52 -3.09 4.28 -2.24 -1.26 -4.89 114.28 106.35 1vle n THR 390 Ca 0.00 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1vle n THR 390 Cb 0.16 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 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 -3.14 1.52 -0.65 -0.78 6.02 -1.26 -4.16 117.38 114.93 1vle n GLN 391 Ca -0.38 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.61 1vle n GLN 391 Cb 1.05 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.31 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 5.00 0.76 3.73 1.08 0.00 -1.17 -4.34 105.19 110.25 1vle n GLY 392 Ca 0.00 0.00 -0.42 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 -2.75 2.85 0.00 1.61 1.01 -1.18 -1.54 120.40 120.40 1vle s VAL 393 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 1vle s VAL 393 Cb 0.00 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 1vle s VAL 393 CO 0.00 0.08 1.80 -0.81 0.00 0.00 0.00 175.10 176.18 1vle n PRO 394 N 3.03 0.87 -1.61 2.72 -0.04 -1.26 -4.63 135.00 134.09 1vle n PRO 394 Ca 0.09 -0.39 -0.29 0.00 -0.04 0.00 0.00 63.50 62.87 1vle n PRO 394 Cb 0.41 -1.64 0.10 0.00 -0.04 0.00 0.00 33.50 32.33 1vle n PRO 394 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vle s LEU 395 N 0.00 2.39 -0.93 1.53 1.43 -1.26 -4.77 118.68 117.07 1vle s LEU 395 Ca 0.26 1.11 -0.24 0.00 -1.03 0.00 0.00 54.13 54.23 1vle s LEU 395 Cb 0.12 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 1vle s LEU 395 CO 0.00 -2.13 1.74 -0.62 0.23 0.00 0.00 176.35 175.57 1vle s ASP 396 N -4.06 5.68 0.35 2.29 3.68 -1.26 -4.81 116.67 118.54 1vle s ASP 396 Ca 0.62 -0.92 0.25 0.00 2.13 0.00 0.00 52.55 54.63 1vle s ASP 396 Cb -0.14 -2.56 1.22 0.00 -1.45 0.00 0.00 42.92 39.99 1vle s ASP 396 CO 0.53 -2.25 1.77 1.88 0.13 0.00 0.00 175.17 177.23 1vle h TYR 397 N 10.85 0.00 0.00 -5.34 0.99 -1.96 -2.56 116.97 118.95 1vle h TYR 397 Ca 0.11 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.79 1vle h TYR 397 Cb 1.01 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.74 1vle h TYR 397 CO 1.23 0.00 -0.51 0.93 -0.00 0.00 0.00 178.16 179.81 1vle h GLU 398 N 0.00 0.00 -6.58 4.88 5.08 -2.03 -3.45 114.58 112.49 1vle h GLU 398 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1vle h GLU 398 Cb 0.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1vle h GLU 398 CO 0.00 0.17 0.56 0.12 -1.00 0.00 0.00 179.01 178.85 1vle s PHE 399 N -3.14 3.44 -0.21 4.33 5.36 -0.96 -5.01 117.98 121.79 1vle s PHE 399 Ca 0.03 1.37 -0.06 0.00 -0.96 0.00 0.00 56.93 57.31 1vle s PHE 399 Cb 0.07 -3.42 -0.03 0.00 -0.34 0.00 0.00 43.02 39.30 1vle s PHE 399 CO 0.73 -1.21 0.04 -0.47 -1.46 0.00 0.00 175.22 172.85 1vle s TYR 400 N 0.43 3.12 -0.15 10.12 5.04 -1.26 -5.04 117.35 129.61 1vle s TYR 400 Ca 0.55 -0.24 -0.07 0.00 -2.44 0.00 0.00 57.07 54.88 1vle s TYR 400 Cb -0.31 -2.12 0.07 0.00 0.35 0.00 0.00 41.96 39.94 1vle s TYR 400 CO 0.33 -0.12 0.34 0.12 -1.34 0.00 0.00 175.55 174.88 1vle s PHE 401 N 0.92 -0.54 0.34 4.97 5.36 -1.26 -1.80 117.98 125.97 1vle s PHE 401 Ca 0.03 1.16 -0.29 0.00 -0.96 0.00 0.00 56.93 56.87 1vle s PHE 401 Cb -0.14 0.15 -0.12 0.00 -0.34 0.00 0.00 43.02 42.57 1vle s PHE 401 CO 0.02 -0.36 1.44 -2.30 -1.46 0.00 0.00 175.22 172.56 1vle n PRO 402 N 4.80 2.45 -2.62 10.12 -0.02 -1.26 -5.04 135.00 143.44 1vle n PRO 402 Ca -0.16 0.86 -0.24 0.00 -2.02 0.00 0.00 63.50 61.95 1vle n PRO 402 Cb 0.52 -2.55 0.03 0.00 -0.02 0.00 0.00 33.50 31.48 1vle n PRO 402 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1vle s GLY 403 N -0.05 1.67 0.49 -1.23 0.00 -1.26 -4.78 107.32 102.14 1vle s GLY 403 Ca 0.57 -1.01 0.19 0.00 0.00 0.00 0.00 44.72 44.46 1vle s GLY 403 CO 0.60 -0.75 2.06 0.10 0.00 0.00 0.00 173.10 175.11 1vle h TYR 404 N 0.01 0.00 0.00 1.90 -0.00 -1.33 -2.14 116.97 115.41 1vle h TYR 404 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 1vle h TYR 404 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.00 1vle h TYR 404 CO 0.42 0.13 0.00 0.00 -0.00 0.00 0.00 178.16 178.71 1vle n ALA 405 N -2.44 1.68 1.20 0.10 0.00 -0.86 -2.99 120.51 117.20 1vle n ALA 405 Ca -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1vle n ALA 405 Cb 0.21 -1.22 0.05 0.00 0.00 0.00 0.00 19.45 18.49 1vle n ALA 405 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vle n GLU 406 N -1.41 1.37 0.00 0.00 1.02 -0.81 -0.99 120.64 119.82 1vle n GLU 406 Ca 0.05 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 1vle n GLU 406 Cb 0.14 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 0.35 2.68 7.00 0.62 0.00 -1.16 -3.22 105.19 111.45 1vle n GLY 407 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 2.97 0.16 -0.02 0.00 -1.26 -1.04 105.19 104.00 1vle n GLY 408 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 0.11 -0.02 -0.61 -5.35 -1.26 -3.88 119.36 108.34 1vle n ILE 409 Ca 0.00 -0.11 -0.15 0.00 -0.27 0.00 0.00 62.75 62.22 1vle n ILE 409 Cb 0.00 0.03 -0.14 0.00 -1.74 0.00 0.00 39.64 37.79 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 -0.29 1.43 -0.70 7.28 3.41 -0.20 -4.66 113.62 119.89 1vle n SER 410 Ca 0.05 0.25 -0.09 0.00 -0.26 0.00 0.00 58.87 58.82 1vle n SER 410 Cb 0.08 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.82 0.93 3.55 5.00 0.00 -1.25 0.61 105.19 115.85 1vle n GLY 411 Ca -0.27 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.41 5.17 0.54 1.61 -1.08 -1.26 -4.66 116.67 114.56 1vle s ASP 412 Ca 0.00 0.57 0.32 0.00 -0.52 0.00 0.00 52.55 52.92 1vle s ASP 412 Cb 0.00 -2.52 1.39 0.00 -1.46 0.00 0.00 42.92 40.33 1vle s ASP 412 CO 0.00 -2.41 2.00 0.00 0.52 0.00 0.00 175.17 175.28 1vle n GLU 414 N -3.23 0.66 0.00 0.00 2.13 -1.26 -4.44 120.64 114.50 1vle n GLU 414 Ca -0.00 -0.12 0.05 0.00 0.66 0.00 0.00 57.16 57.75 1vle n GLU 414 Cb 0.30 -1.55 0.04 0.00 0.27 0.00 0.00 31.44 30.50 1vle n GLU 414 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1vle n ASN 415 N -2.43 1.76 -4.22 4.31 3.02 -1.23 -4.99 115.26 111.48 1vle n ASN 415 Ca -0.11 -1.38 -0.13 0.00 -0.03 0.00 0.00 54.58 52.93 1vle n ASN 415 Cb 0.73 0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.87 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 -0.93 0.34 -0.20 6.41 1.04 -0.94 -5.04 113.70 114.39 1vle s SER 416 Ca 0.11 -1.39 0.05 0.00 0.48 0.00 0.00 55.95 55.21 1vle s SER 416 Cb 0.08 0.34 0.44 0.00 0.10 0.00 0.00 66.02 66.99 1vle s SER 416 CO 0.15 -0.82 1.38 0.00 0.98 0.00 0.00 173.24 174.93 1vle n ALA 417 N -0.30 3.80 0.09 5.32 0.00 -0.16 -4.41 120.51 124.84 1vle n ALA 417 Ca 0.02 -1.40 0.05 0.00 0.00 0.00 0.00 53.44 52.11 1vle n ALA 417 Cb 0.66 -1.17 0.49 0.00 0.00 0.00 0.00 19.45 19.44 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 2.35 1.80 0.00 0.00 0.00 -1.74 -2.62 119.26 119.05 1vle h ALA 418 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1vle h ALA 418 Cb 1.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1vle h ALA 418 CO 0.46 0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1vle n GLY 419 N -1.48 -1.00 0.14 0.00 0.00 -1.26 -1.22 105.19 100.37 1vle n GLY 419 Ca 0.01 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 0.52 0.00 1.61 3.57 -1.83 -3.47 116.94 117.34 1vle h PHE 420 Ca 0.00 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1vle h PHE 420 Cb 0.13 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1vle h PHE 420 CO 0.00 1.01 0.00 1.17 -2.23 0.00 0.00 178.31 178.26 1vle n LYS 421 N -4.35 0.00 -0.05 1.11 4.81 -1.16 -5.01 118.16 113.52 1vle n LYS 421 Ca -0.09 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.27 1vle n LYS 421 Cb 0.55 -0.03 -0.02 0.00 0.02 0.00 0.00 35.03 35.55 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 0.02 -0.72 5.64 3.57 -1.83 -2.86 116.94 120.77 1vle h PHE 422 Ca 0.00 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.66 1vle h PHE 422 Cb 0.00 0.02 -0.10 0.00 2.79 0.00 0.00 35.95 38.66 1vle h PHE 422 CO 0.00 -0.01 0.21 0.00 -2.23 0.00 0.00 178.31 176.28 1vle h ALA 423 N 1.17 0.94 0.00 2.41 0.00 -1.44 0.45 119.26 122.80 1vle h ALA 423 Ca 0.10 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1vle h ALA 423 Cb 0.11 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1vle h ALA 423 CO -0.15 -0.29 -0.06 -1.49 0.00 0.00 0.00 179.25 177.26 1vle h TRP 424 N 0.33 0.00 0.04 0.00 4.06 -1.72 -1.43 115.95 117.22 1vle h TRP 424 Ca 0.40 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 61.03 1vle h TRP 424 Cb 0.64 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.76 1vle h TRP 424 CO -0.23 0.06 -1.75 0.54 -3.56 0.00 0.00 178.44 173.50 1vle n ARG 425 N -3.48 0.63 -0.17 0.49 1.74 0.44 -4.52 116.66 111.78 1vle n ARG 425 Ca -0.02 0.41 -0.07 0.00 -0.77 0.00 0.00 57.85 57.40 1vle n ARG 425 Cb 0.18 -1.68 0.08 0.00 -1.02 0.00 0.00 32.46 30.02 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 -0.63 0.97 -6.29 5.56 4.05 -0.12 -3.45 114.93 115.01 1vle h MET 426 Ca -0.44 -0.29 -0.65 0.00 -0.28 0.00 0.00 59.70 58.03 1vle h MET 426 Cb 1.60 -0.09 -0.11 0.00 -0.80 0.00 0.00 31.60 32.19 1vle h MET 426 CO -0.15 0.96 -0.65 -0.06 0.23 0.00 0.00 176.91 177.24 1vle s PHE 427 N -4.99 3.04 -0.06 1.39 0.40 -0.55 -4.97 117.98 112.24 1vle s PHE 427 Ca -0.11 0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1vle s PHE 427 Cb 0.14 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 42.11 1vle s PHE 427 CO 0.84 0.49 0.72 -0.40 0.70 0.00 0.00 175.22 177.57 1vle n ASP 428 N 0.61 1.45 -2.05 1.36 5.68 -1.24 -4.75 116.55 117.60 1vle n ASP 428 Ca -0.11 -1.42 -0.18 0.00 -0.50 0.00 0.00 54.79 52.59 1vle n ASP 428 Cb 0.52 -0.00 -0.04 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 -0.16 0.40 1.81 6.12 0.00 -1.25 -4.72 105.19 107.39 1vle n GLY 429 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vle n GLY 429 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vle n LYS 430 N -2.64 0.00 -0.00 1.61 5.02 -1.26 -4.99 118.16 115.90 1vle n LYS 430 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1vle n LYS 430 Cb 0.63 -0.10 -0.00 0.00 -0.02 0.00 0.00 35.03 35.54 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 -2.91 0.01 -4.46 -0.18 -2.24 -1.26 -5.02 114.28 98.21 1vle n THR 431 Ca 0.00 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 1vle n THR 431 Cb 0.06 0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.02 0.93 0.10 4.28 -1.32 -1.26 -5.08 115.64 111.27 1vle s THR 432 Ca -0.00 -0.39 0.08 0.00 -1.21 0.00 0.00 61.69 60.17 1vle s THR 432 Cb 0.00 -0.85 -0.03 0.00 -1.51 0.00 0.00 72.50 70.11 1vle s THR 432 CO 0.02 0.30 -0.21 -0.36 -2.21 0.00 0.00 174.62 172.16 1vle s PHE 433 N 0.52 1.79 0.91 9.09 0.40 -1.26 -3.70 117.98 125.72 1vle s PHE 433 Ca -0.10 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.70 1vle s PHE 433 Cb -0.13 -0.98 0.14 0.00 0.51 0.00 0.00 43.02 42.55 1vle s PHE 433 CO 0.02 0.20 1.13 -2.14 0.70 0.00 0.00 175.22 175.13 1vle s PRO 434 N -1.88 1.16 -0.52 0.24 0.02 -1.26 -4.98 135.00 127.78 1vle s PRO 434 Ca 0.06 0.34 0.04 0.00 0.02 0.00 0.00 61.00 61.46 1vle s PRO 434 Cb -0.10 -1.84 0.13 0.00 0.02 0.00 0.00 34.50 32.72 1vle s PRO 434 CO 0.04 -2.20 0.27 0.45 -0.33 0.00 0.00 177.00 175.23 1vle s SER 435 N -3.97 4.26 0.69 2.53 0.15 0.20 -4.98 113.70 112.58 1vle s SER 435 Ca 0.64 -3.01 -0.11 0.00 0.70 0.00 0.00 55.95 54.16 1vle s SER 435 Cb -0.15 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 1vle s SER 435 CO 0.54 -0.23 1.06 -2.84 1.20 0.00 0.00 173.24 172.97 1vle s PRO 436 N -0.28 2.98 -0.12 5.44 0.02 -1.26 -4.45 135.00 137.34 1vle s PRO 436 Ca 0.17 0.85 -0.00 0.00 0.02 0.00 0.00 61.00 62.04 1vle s PRO 436 Cb -0.25 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.29 1vle s PRO 436 CO -0.01 -1.04 -0.08 0.45 -0.33 0.00 0.00 177.00 176.00 1vle s SER 437 N -3.92 2.21 0.00 2.53 0.15 -1.26 -4.68 113.70 108.73 1vle s SER 437 Ca 0.58 -0.31 0.14 0.00 0.70 0.00 0.00 55.95 57.06 1vle s SER 437 Cb -0.13 -0.85 0.49 0.00 -1.71 0.00 0.00 66.02 63.81 1vle s SER 437 CO 0.55 -0.12 1.37 -0.46 1.20 0.00 0.00 173.24 175.78 1vle n ASN 438 N 4.94 1.70 -0.04 5.45 6.94 -1.26 -4.08 115.26 128.91 1vle n ASN 438 Ca -0.12 -1.88 -0.05 0.00 -0.02 0.00 0.00 54.58 52.50 1vle n ASN 438 Cb 0.50 -0.17 -0.04 0.00 -2.36 0.00 0.00 39.78 37.71 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 0.39 2.88 -3.56 -4.53 4.77 -1.26 -4.65 117.00 111.04 1vle n LEU 439 Ca 0.13 -0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.67 1vle n LEU 439 Cb 0.29 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1vle n LEU 439 CO 0.10 0.61 2.76 -3.20 -1.33 0.00 0.00 177.39 176.32 1vle n ASN 440 N -2.75 6.61 -3.87 -1.43 5.15 -1.26 -1.53 115.26 116.17 1vle n ASN 440 Ca -0.14 -2.85 -0.09 0.00 -0.60 0.00 0.00 54.58 50.90 1vle n ASN 440 Cb 0.64 -1.53 -0.07 0.00 -0.53 0.00 0.00 39.78 38.28 1vle n ASN 440 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1vle s THR 441 N 1.49 0.15 0.38 -0.44 -1.32 -1.26 -4.84 115.64 109.80 1vle s THR 441 Ca 0.55 -1.21 0.12 0.00 -1.21 0.00 0.00 61.69 59.94 1vle s THR 441 Cb 0.16 -1.33 0.34 0.00 -1.51 0.00 0.00 72.50 70.15 1vle s THR 441 CO -0.06 -0.67 1.88 0.28 -2.21 0.00 0.00 174.62 173.84 1vle h SER 442 N 2.81 0.54 0.29 8.08 0.02 -1.98 0.21 113.55 123.54 1vle h SER 442 Ca -0.34 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1vle h SER 442 Cb 1.19 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1vle h SER 442 CO 0.57 0.27 -0.07 0.00 -1.14 0.00 0.00 176.83 176.46 1vle n ALA 443 N -2.47 2.70 -1.87 3.77 0.00 -1.26 -4.78 120.51 116.59 1vle n ALA 443 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1vle n ALA 443 Cb 0.51 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.22 0.92 2.82 0.00 0.00 0.74 -5.03 105.19 105.87 1vle n GLY 444 Ca 0.16 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 3.75 0.01 0.21 1.61 0.74 -0.58 -4.84 119.66 120.56 1vle s GLN 445 Ca 0.00 0.30 -0.07 0.00 0.05 0.00 0.00 55.36 55.64 1vle s GLN 445 Cb 0.00 -0.25 -0.02 0.00 1.10 0.00 0.00 33.01 33.84 1vle s GLN 445 CO 0.00 -0.19 0.29 -3.38 -0.55 0.00 0.00 175.29 171.46 1vle s HIS 446 N 1.27 0.71 0.07 1.67 -3.43 -1.26 -3.99 115.29 110.33 1vle s HIS 446 Ca -0.07 -1.02 0.01 0.00 -0.80 0.00 0.00 55.06 53.18 1vle s HIS 446 Cb -0.12 -0.18 -0.04 0.00 -1.43 0.00 0.00 32.58 30.81 1vle s HIS 446 CO -0.04 -0.79 -0.06 0.96 -2.00 0.00 0.00 174.74 172.81 1vle s ILE 447 N -4.07 0.49 0.14 -5.38 -4.36 -0.76 -4.87 121.20 102.39 1vle s ILE 447 Ca 0.28 -1.65 -0.30 0.00 -0.26 0.00 0.00 60.65 58.73 1vle s ILE 447 Cb 0.03 -1.30 -0.07 0.00 1.25 0.00 0.00 42.46 42.37 1vle s ILE 447 CO 0.09 -0.78 1.20 -2.84 0.24 0.00 0.00 174.94 172.85 1vle s PRO 448 N -3.20 4.47 0.26 0.37 0.02 -1.26 -1.65 135.00 134.01 1vle s PRO 448 Ca 0.04 1.84 -0.03 0.00 0.02 0.00 0.00 61.00 62.87 1vle s PRO 448 Cb 0.02 -3.28 0.38 0.00 0.02 0.00 0.00 34.50 31.64 1vle s PRO 448 CO -0.05 -0.15 1.89 -0.09 -0.33 0.00 0.00 177.00 178.27 1vle h ARG 449 N 5.82 1.18 0.00 5.54 2.43 -1.53 -1.20 114.38 126.62 1vle h ARG 449 Ca -0.43 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1vle h ARG 449 Cb 1.21 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1vle h ARG 449 CO 0.77 0.78 0.00 -0.07 -1.51 0.00 0.00 179.97 179.94 1vle h LEU 450 N 1.21 0.00 -2.85 3.80 3.38 -1.91 -3.10 115.31 115.84 1vle h LEU 450 Ca 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1vle h LEU 450 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1vle h LEU 450 CO -0.16 0.00 -0.27 0.29 0.09 0.00 0.00 178.44 178.39 1vle n LYS 451 N -2.75 1.08 -0.25 1.13 4.76 -0.49 -4.78 118.16 116.86 1vle n LYS 451 Ca -0.01 -2.48 0.02 0.00 -2.87 0.00 0.00 58.31 52.97 1vle n LYS 451 Cb 0.16 -1.28 0.15 0.00 -1.84 0.00 0.00 35.03 32.22 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 1.78 0.81 -0.51 -0.18 2.04 -1.38 -2.02 117.51 118.05 1vle h ILE 452 Ca -0.02 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.70 1vle h ILE 452 Cb 1.12 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1vle h ILE 452 CO 0.01 0.11 0.22 -0.65 0.00 0.00 0.00 178.15 177.83 1vle h PRO 453 N 0.58 0.41 -0.55 2.37 0.11 -1.86 -1.44 132.00 131.62 1vle h PRO 453 Ca 0.37 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.37 1vle h PRO 453 Cb 0.42 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 1vle h PRO 453 CO -0.29 0.27 -0.00 0.93 -0.21 0.00 0.00 178.00 178.70 1vle h GLU 454 N 0.42 0.95 -0.77 1.05 3.07 -1.78 0.10 114.58 117.62 1vle h GLU 454 Ca 0.24 -0.28 -0.05 0.00 -0.50 0.00 0.00 59.36 58.76 1vle h GLU 454 Cb 0.21 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 1vle h GLU 454 CO -0.21 0.94 0.27 0.00 -1.40 0.00 0.00 179.01 178.60 1vle h ILE 456 N 1.13 1.56 0.02 0.00 2.04 -1.04 0.26 117.51 121.49 1vle h ILE 456 Ca 0.25 -1.67 -0.22 0.00 1.00 0.00 0.00 64.86 64.23 1vle h ILE 456 Cb 0.27 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 1vle h ILE 456 CO -0.01 0.43 -1.02 0.24 0.00 0.00 0.00 178.15 177.79 1vle h MET 457 N -0.71 0.05 0.00 2.37 2.86 -1.00 -3.32 114.93 115.18 1vle h MET 457 Ca -0.00 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1vle h MET 457 Cb 0.71 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.40 1vle h MET 457 CO 0.00 1.02 -1.56 0.41 1.06 0.00 0.00 176.91 177.84 1vle n GLY 458 N 1.31 -1.21 2.49 8.32 0.00 0.22 -4.98 105.19 111.35 1vle n GLY 458 Ca -0.02 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 1.23 1.50 3.61 -0.02 0.00 0.08 -4.94 105.19 106.64 1vle n GLY 459 Ca -0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.22 0.48 0.01 1.61 2.20 -1.25 -4.49 119.74 115.09 1vle s LYS 460 Ca 0.00 0.26 -0.28 0.00 -0.36 0.00 0.00 55.97 55.59 1vle s LYS 460 Cb 0.00 0.23 0.10 0.00 -1.51 0.00 0.00 37.83 36.65 1vle s LYS 460 CO 0.00 -0.12 0.83 0.12 -0.36 0.00 0.00 175.35 175.81 1vle s PHE 461 N -0.64 -0.41 -0.04 4.03 5.36 -0.48 -4.54 117.98 121.27 1vle s PHE 461 Ca 0.01 0.35 -0.03 0.00 -0.96 0.00 0.00 56.93 56.30 1vle s PHE 461 Cb -0.02 0.52 0.02 0.00 -0.34 0.00 0.00 43.02 43.20 1vle s PHE 461 CO -0.03 -0.59 0.10 -1.14 -1.46 0.00 0.00 175.22 172.11 1vle s GLN 462 N -2.89 0.11 0.25 10.12 -0.44 -1.26 0.01 119.66 125.55 1vle s GLN 462 Ca 0.02 0.18 -0.08 0.00 -2.50 0.00 0.00 55.36 52.98 1vle s GLN 462 Cb -0.01 0.01 0.03 0.00 -1.64 0.00 0.00 33.01 31.40 1vle s GLN 462 CO -0.07 -0.04 0.48 -2.67 0.50 0.00 0.00 175.29 173.48 1vle n TRP 463 N 3.26 -1.75 -4.70 1.67 2.14 -0.47 -5.00 117.44 112.58 1vle n TRP 463 Ca -0.15 -1.25 -0.33 0.00 2.07 0.00 0.00 57.50 57.84 1vle n TRP 463 Cb 0.58 0.56 -0.12 0.00 -0.81 0.00 0.00 31.31 31.51 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 -2.34 4.40 0.29 -0.67 0.01 -1.26 -1.04 113.70 113.09 1vle s SER 464 Ca 0.12 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1vle s SER 464 Cb -0.03 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 65.01 1vle s SER 464 CO 0.09 0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1vle n GLY 465 N 2.53 -3.05 3.09 3.44 0.00 0.81 -4.71 105.19 107.31 1vle n GLY 465 Ca -0.18 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.77 2.64 1.35 1.61 2.20 -1.26 -4.88 119.74 117.63 1vle s LYS 466 Ca 0.00 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.58 1vle s LYS 466 Cb 0.00 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.64 1vle s LYS 466 CO 0.00 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.04 1vle n GLY 467 N 4.55 2.58 3.55 5.54 0.00 -1.26 -3.70 105.19 116.45 1vle n GLY 467 Ca -0.18 -0.04 -0.42 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 2.41 -1.43 1.61 0.40 -1.24 -4.46 117.98 115.27 1vle s PHE 468 Ca 0.00 0.07 -0.07 0.00 -0.60 0.00 0.00 56.93 56.33 1vle s PHE 468 Cb 0.00 -4.57 0.04 0.00 0.51 0.00 0.00 43.02 39.01 1vle s PHE 468 CO 0.00 -1.89 2.59 0.00 0.70 0.00 0.00 175.22 176.63 1vle n ALA 469 N 8.97 7.09 1.37 5.36 0.00 -1.24 -4.67 120.51 137.38 1vle n ALA 469 Ca 0.04 -3.89 0.12 0.00 0.00 0.00 0.00 53.44 49.72 1vle n ALA 469 Cb 0.49 -2.99 0.45 0.00 0.00 0.00 0.00 19.45 17.40 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 2.39 0.10 0.05 0.00 0.00 -1.26 -4.33 105.19 102.13 1vle n GLY 470 Ca 0.68 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 4.98 -0.01 -2.95 -0.02 0.00 -1.83 -3.05 103.07 100.19 1vle h GLY 471 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1vle h GLY 471 CO 0.00 -0.00 -0.05 -0.35 0.00 0.00 0.00 176.54 176.14 1vle s ASP 472 N -5.33 -0.24 0.20 0.19 2.15 -1.26 -4.85 116.67 107.54 1vle s ASP 472 Ca -0.14 -0.37 -0.13 0.00 0.43 0.00 0.00 52.55 52.34 1vle s ASP 472 Cb 0.05 0.50 0.24 0.00 -0.30 0.00 0.00 42.92 43.41 1vle s ASP 472 CO 0.66 -0.91 1.65 0.40 -0.17 0.00 0.00 175.17 176.81 1vle h ILE 473 N 2.32 0.48 -0.00 4.11 2.04 -1.90 -2.20 117.51 122.36 1vle h ILE 473 Ca -0.33 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1vle h ILE 473 Cb 1.26 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1vle h ILE 473 CO 0.44 0.01 -0.02 -1.20 0.00 0.00 0.00 178.15 177.39 1vle n SER 474 N -5.32 0.40 -0.02 1.72 7.64 -1.26 -4.01 113.62 112.77 1vle n SER 474 Ca 0.07 -0.99 0.08 0.00 1.01 0.00 0.00 58.87 59.05 1vle n SER 474 Cb 0.32 -0.03 0.48 0.00 -1.01 0.00 0.00 64.21 63.97 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 0.60 0.43 0.00 1.43 3.86 -1.68 -1.07 115.15 118.72 1vle h HIS 475 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1vle h HIS 475 Cb 0.18 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1vle h HIS 475 CO 0.00 0.24 0.00 0.00 0.86 0.00 0.00 177.93 179.03 1vle n GLN 476 N -4.48 0.16 0.11 2.45 10.64 -1.26 -2.63 117.38 122.38 1vle n GLN 476 Ca 0.06 0.41 0.12 0.00 -1.83 0.00 0.00 57.00 55.76 1vle n GLN 476 Cb 0.21 -1.82 0.19 0.00 -0.86 0.00 0.00 30.24 27.96 1vle n GLN 476 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1vle h LEU 477 N 0.00 0.00 -9.85 2.61 3.38 -1.47 -2.14 115.31 107.84 1vle h LEU 477 Ca 0.00 -0.09 -0.56 0.00 0.09 0.00 0.00 57.88 57.32 1vle h LEU 477 Cb 0.32 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.19 1vle h LEU 477 CO 0.00 0.04 0.59 1.57 0.09 0.00 0.00 178.44 180.74 1vle n HIS 478 N -2.42 2.46 -3.56 1.13 -0.00 -1.08 -4.65 115.22 107.10 1vle n HIS 478 Ca 0.03 0.50 -0.37 0.00 0.46 0.00 0.00 57.72 58.34 1vle n HIS 478 Cb 0.47 -2.44 -0.06 0.00 -0.12 0.00 0.00 29.99 27.84 1vle n HIS 478 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1vle s GLN 479 N -2.12 4.02 0.22 1.57 -1.52 -1.26 -0.13 119.66 120.44 1vle s GLN 479 Ca 0.57 0.19 0.05 0.00 -1.95 0.00 0.00 55.36 54.23 1vle s GLN 479 Cb -0.51 -3.32 -0.05 0.00 -0.22 0.00 0.00 33.01 28.91 1vle s GLN 479 CO 0.61 0.47 -0.07 0.71 -0.25 0.00 0.00 175.29 176.76 1vle s TYR 480 N -0.27 1.62 0.05 0.91 1.51 -0.20 -4.95 117.35 116.01 1vle s TYR 480 Ca 0.19 -0.77 -0.06 0.00 -1.01 0.00 0.00 57.07 55.42 1vle s TYR 480 Cb -0.14 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.82 1vle s TYR 480 CO 0.08 0.14 0.12 -1.83 -1.11 0.00 0.00 175.55 172.95 1vle s GLU 481 N -3.76 0.67 -0.05 -0.62 -1.05 -1.26 -1.37 118.70 111.25 1vle s GLU 481 Ca 0.25 -0.83 0.01 0.00 -0.15 0.00 0.00 54.97 54.26 1vle s GLU 481 Cb 0.03 0.26 0.02 0.00 -0.44 0.00 0.00 34.13 34.01 1vle s GLU 481 CO 0.07 -0.18 -0.07 -0.47 0.95 0.00 0.00 175.26 175.57 1vle s TYR 482 N -3.02 0.97 0.42 4.83 5.04 0.10 -2.69 117.35 123.00 1vle s TYR 482 Ca -0.02 -0.32 -0.23 0.00 -2.44 0.00 0.00 57.07 54.06 1vle s TYR 482 Cb 0.01 -0.81 -0.09 0.00 0.35 0.00 0.00 41.96 41.42 1vle s TYR 482 CO -0.06 -0.24 1.04 -1.25 -1.34 0.00 0.00 175.55 173.70 1vle s PRO 483 N 0.93 4.09 0.56 4.97 0.04 -1.26 -1.38 135.00 142.95 1vle s PRO 483 Ca -0.11 1.47 -0.20 0.00 0.04 0.00 0.00 61.00 62.20 1vle s PRO 483 Cb -0.15 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1vle s PRO 483 CO 0.00 -0.20 1.27 0.00 0.04 0.00 0.00 177.00 178.11 1vle s ALA 484 N -1.74 2.68 -0.14 8.56 0.00 -1.10 -4.86 121.76 125.17 1vle s ALA 484 Ca 0.60 1.14 -0.39 0.00 0.00 0.00 0.00 51.96 53.31 1vle s ALA 484 Cb -0.20 -3.50 -0.16 0.00 0.00 0.00 0.00 23.12 19.26 1vle s ALA 484 CO 0.26 -1.22 1.57 -2.30 0.00 0.00 0.00 175.76 174.06 1vle n PRO 485 N -1.27 1.09 0.00 0.00 -0.02 -1.26 -0.70 135.00 132.85 1vle n PRO 485 Ca 0.12 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1vle n PRO 485 Cb 0.48 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 3.47 2.79 3.92 -1.23 0.00 -1.26 -5.01 105.19 107.87 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 -1.24 2.98 0.10 1.61 1.51 0.13 -5.09 117.35 117.35 1vle s TYR 487 Ca 0.00 0.58 0.04 0.00 -1.01 0.00 0.00 57.07 56.67 1vle s TYR 487 Cb 0.00 -3.22 -0.04 0.00 -0.11 0.00 0.00 41.96 38.59 1vle s TYR 487 CO 0.00 -1.44 0.10 0.45 -1.11 0.00 0.00 175.55 173.55 1vle s SER 488 N -4.50 5.53 0.90 2.29 0.15 -1.26 -4.65 113.70 112.15 1vle s SER 488 Ca 0.60 -0.04 -0.11 0.00 0.70 0.00 0.00 55.95 57.10 1vle s SER 488 Cb -0.11 -1.48 0.13 0.00 -1.71 0.00 0.00 66.02 62.86 1vle s SER 488 CO 0.46 0.14 1.10 -0.54 1.20 0.00 0.00 173.24 175.60 1vle s LYS 489 N -2.60 1.20 0.12 5.44 1.02 -1.26 -4.27 119.74 119.39 1vle s LYS 489 Ca 0.30 1.08 -0.31 0.00 0.02 0.00 0.00 55.97 57.06 1vle s LYS 489 Cb -0.12 -1.78 -0.08 0.00 -0.52 0.00 0.00 37.83 35.34 1vle s LYS 489 CO 0.22 -2.35 1.34 0.42 -0.92 0.00 0.00 175.35 174.06 1vle s ILE 490 N -2.81 3.42 -0.03 2.17 -1.09 -1.26 -4.38 121.20 117.21 1vle s ILE 490 Ca 0.64 1.04 0.03 0.00 -2.23 0.00 0.00 60.65 60.14 1vle s ILE 490 Cb -0.20 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 1vle s ILE 490 CO 0.58 0.09 0.03 0.29 -1.23 0.00 0.00 174.94 174.70 1vle n LYS 491 N 3.70 2.72 -4.15 2.79 4.76 0.22 -4.67 118.16 123.53 1vle n LYS 491 Ca 0.10 -0.01 -0.17 0.00 -2.87 0.00 0.00 58.31 55.37 1vle n LYS 491 Cb 0.43 -1.09 -0.12 0.00 -1.84 0.00 0.00 35.03 32.41 1vle n LYS 491 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1vle s MET 492 N -2.13 0.77 -0.18 1.97 1.75 -0.92 -0.67 119.30 119.89 1vle s MET 492 Ca -0.02 -0.95 -0.02 0.00 -1.25 0.00 0.00 55.69 53.45 1vle s MET 492 Cb 0.01 -0.67 0.06 0.00 2.84 0.00 0.00 34.83 37.07 1vle s MET 492 CO 0.15 0.14 0.02 0.12 -0.65 0.00 0.00 175.02 174.80 1vle s PHE 493 N -1.50 1.13 -0.60 4.11 5.99 -0.19 -0.42 117.98 126.51 1vle s PHE 493 Ca -0.02 -0.88 -0.15 0.00 0.00 0.00 0.00 56.93 55.88 1vle s PHE 493 Cb -0.09 -1.06 0.15 0.00 0.00 0.00 0.00 43.02 42.02 1vle s PHE 493 CO 0.02 -0.60 0.54 -0.46 -0.00 0.00 0.00 175.22 174.72 1vle s TRP 494 N 1.82 3.38 0.11 10.12 -0.11 0.34 -0.90 118.94 133.70 1vle s TRP 494 Ca -0.01 -1.51 -0.17 0.00 1.22 0.00 0.00 56.10 55.63 1vle s TRP 494 Cb -0.17 -3.77 -0.07 0.00 -1.50 0.00 0.00 33.47 27.96 1vle s TRP 494 CO -0.08 -1.01 0.57 0.15 -4.62 0.00 0.00 176.95 171.96 1vle s LYS 495 N 1.25 4.11 -0.34 5.86 1.02 0.14 -2.93 119.74 128.84 1vle s LYS 495 Ca 0.07 0.64 0.01 0.00 0.02 0.00 0.00 55.97 56.70 1vle s LYS 495 Cb -0.25 -3.09 0.09 0.00 -0.52 0.00 0.00 37.83 34.05 1vle s LYS 495 CO 0.00 0.56 0.07 -0.47 -0.92 0.00 0.00 175.35 174.59 1vle s TYR 496 N -1.28 3.56 0.00 3.18 5.04 -0.85 -0.66 117.35 126.33 1vle s TYR 496 Ca 0.33 -2.53 0.00 0.00 -2.44 0.00 0.00 57.07 52.43 1vle s TYR 496 Cb -0.17 -2.75 0.00 0.00 0.35 0.00 0.00 41.96 39.39 1vle s TYR 496 CO 0.19 -0.92 0.00 0.41 -1.34 0.00 0.00 175.55 173.89 1vle n GLY 497 N 4.45 -0.78 2.72 8.97 0.00 -0.78 -4.19 105.19 115.57 1vle n GLY 497 Ca -0.03 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.73 -0.38 0.00 -0.02 0.00 -1.26 -4.81 105.19 97.98 1vle n GLY 498 Ca 0.00 0.38 0.09 0.00 0.00 0.00 0.00 46.02 46.50 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 1.10 0.60 -0.05 1.61 -0.04 -1.26 -0.75 135.00 136.21 1vle n PRO 499 Ca 0.05 -0.02 0.24 0.00 -0.04 0.00 0.00 63.50 63.73 1vle n PRO 499 Cb 0.68 -1.42 0.64 0.00 -0.04 0.00 0.00 33.50 33.36 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 0.00 0.00 0.00 0.54 3.86 -1.95 0.68 115.15 118.28 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 0.51 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1vle h HIS 500 CO 0.00 0.00 -0.15 -0.07 0.86 0.00 0.00 177.93 178.57 1vle h LEU 501 N 0.00 0.00 -1.10 2.43 3.38 -1.89 -2.38 115.31 115.74 1vle h LEU 501 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1vle h LEU 501 Cb 1.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1vle h LEU 501 CO -0.00 0.15 -0.04 0.61 0.09 0.00 0.00 178.44 179.24 1vle n GLY 502 N -0.36 -0.59 0.00 0.83 0.00 0.19 -4.52 105.19 100.74 1vle n GLY 502 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.19 0.00 -0.71 2.61 -2.24 -0.96 -1.23 114.28 111.94 1vle n THR 503 Ca 0.04 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1vle n THR 503 Cb 0.17 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.05 3.69 -4.57 -0.78 2.81 -0.91 -4.96 117.12 111.36 1vle n MET 504 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 1vle n MET 504 Cb 0.00 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.38 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 3.59 2.42 -0.75 2.03 -4.23 -1.26 -4.71 115.64 112.73 1vle s THR 505 Ca 0.00 -1.51 -0.12 0.00 -1.18 0.00 0.00 61.69 58.87 1vle s THR 505 Cb 0.00 -2.04 0.02 0.00 1.34 0.00 0.00 72.50 71.82 1vle s THR 505 CO 0.00 0.21 0.24 0.00 -0.54 0.00 0.00 174.62 174.53 1vle n ALA 506 N 1.24 -1.77 0.11 3.99 0.00 0.42 -4.71 120.51 119.78 1vle n ALA 506 Ca -0.17 -0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.03 1vle n ALA 506 Cb 0.52 -1.05 0.31 0.00 0.00 0.00 0.00 19.45 19.23 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 -3.16 1.09 0.19 0.00 -2.24 -1.03 -3.03 114.28 106.12 1vle n THR 507 Ca -0.11 0.66 0.14 0.00 -2.27 0.00 0.00 64.05 62.47 1vle n THR 507 Cb 0.34 -1.66 0.73 0.00 -2.10 0.00 0.00 70.33 67.64 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 0.32 3.42 2.35 -1.84 0.29 115.58 120.12 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 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 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 0.00 0.81 0.11 -1.85 -1.23 114.38 112.22 1vle h ARG 509 Ca 0.08 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.10 1vle h ARG 509 Cb 0.35 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 1vle h ARG 509 CO -0.00 0.27 -0.29 1.88 0.10 0.00 0.00 179.97 181.92 1vle h TYR 510 N 0.00 0.00 0.11 4.08 -1.99 -1.18 -1.95 116.97 116.04 1vle h TYR 510 Ca -0.00 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.51 1vle h TYR 510 Cb 0.50 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.25 1vle h TYR 510 CO 0.00 0.29 -0.92 0.00 -0.00 0.00 0.00 178.16 177.53 1vle h ALA 511 N 1.71 -0.04 -0.58 3.88 0.00 -1.23 -3.33 119.26 119.67 1vle h ALA 511 Ca -0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1vle h ALA 511 Cb 0.71 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1vle h ALA 511 CO 0.04 0.47 0.25 0.87 0.00 0.00 0.00 179.25 180.88 1vle h LYS 512 N -0.11 0.83 -0.98 0.00 1.57 -1.11 -3.15 116.57 113.62 1vle h LYS 512 Ca -0.15 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1vle h LYS 512 Cb 1.68 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.77 1vle h LYS 512 CO 0.18 0.66 0.64 0.00 -0.57 0.00 0.00 179.45 180.36 1vle h MET 513 N 0.82 1.17 -0.26 3.15 -0.00 -1.46 -3.02 114.93 115.34 1vle h MET 513 Ca 0.20 -0.07 0.07 0.00 -0.00 0.00 0.00 59.70 59.90 1vle h MET 513 Cb 0.13 -0.26 -0.01 0.00 -0.00 0.00 0.00 31.60 31.46 1vle h MET 513 CO -0.02 0.78 0.33 1.88 -0.00 0.00 0.00 176.91 179.88 1vle h TYR 514 N 1.21 0.00 -0.16 -0.10 -1.99 -1.70 -1.15 116.97 113.08 1vle h TYR 514 Ca 0.40 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.13 1vle h TYR 514 Cb 0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.78 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 -3.59 0.19 -1.97 -2.88 -2.24 -1.14 -4.82 114.28 97.83 1vle n THR 515 Ca 0.04 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 60.93 1vle n THR 515 Cb 0.47 0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.81 2.97 -1.59 4.78 5.04 -0.44 -3.88 115.29 120.36 1vle s HIS 516 Ca 0.34 0.98 0.19 0.00 -1.54 0.00 0.00 55.06 55.03 1vle s HIS 516 Cb 0.20 -3.86 1.00 0.00 0.04 0.00 0.00 32.58 29.96 1vle s HIS 516 CO 0.30 -2.84 1.56 -0.40 -2.34 0.00 0.00 174.74 171.02 1vle n ASP 517 N 2.33 0.00 0.22 9.88 3.85 -1.26 -2.21 116.55 129.36 1vle n ASP 517 Ca 0.07 -0.16 0.12 0.00 -0.71 0.00 0.00 54.79 54.11 1vle n ASP 517 Cb 0.40 -0.20 0.17 0.00 -1.35 0.00 0.00 41.12 40.13 1vle n ASP 517 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1vle h SER 518 N 0.00 0.00 -2.25 -1.12 4.64 -1.89 -3.40 113.55 109.52 1vle h SER 518 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1vle h SER 518 Cb 0.12 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.10 1vle h SER 518 CO 0.00 0.02 0.93 -0.76 -0.87 0.00 0.00 176.83 176.15 1vle s LEU 519 N -6.22 3.87 0.37 5.97 1.43 -0.94 -4.53 118.68 118.63 1vle s LEU 519 Ca 0.07 -1.01 0.19 0.00 -1.03 0.00 0.00 54.13 52.36 1vle s LEU 519 Cb 0.05 -2.49 0.52 0.00 0.03 0.00 0.00 46.19 44.30 1vle s LEU 519 CO 0.67 -1.55 1.65 -0.33 0.23 0.00 0.00 176.35 177.02 1vle h GLU 520 N 9.68 0.00 -2.25 1.70 5.08 -1.13 -3.46 114.58 124.20 1vle h GLU 520 Ca -0.15 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1vle h GLU 520 Cb 1.05 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.08 1vle h GLU 520 CO 1.25 0.35 0.01 0.12 -1.00 0.00 0.00 179.01 179.74 1vle s PHE 521 N -3.36 -0.67 -0.06 4.33 5.36 -1.13 -5.04 117.98 117.42 1vle s PHE 521 Ca 0.02 1.64 0.01 0.00 -0.96 0.00 0.00 56.93 57.64 1vle s PHE 521 Cb 0.09 0.23 0.02 0.00 -0.34 0.00 0.00 43.02 43.03 1vle s PHE 521 CO 0.69 -0.33 -0.05 0.08 -1.46 0.00 0.00 175.22 174.15 1vle s VAL 522 N 0.29 0.66 0.01 3.12 1.01 -1.26 -1.02 120.40 123.21 1vle s VAL 522 Ca -0.00 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1vle s VAL 522 Cb -0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1vle s VAL 522 CO 0.01 0.26 -0.26 -0.69 0.00 0.00 0.00 175.10 174.42 1vle s VAL 523 N 1.08 2.06 -0.15 2.92 1.01 -0.08 -0.63 120.40 126.60 1vle s VAL 523 Ca -0.08 -1.21 -0.00 0.00 0.00 0.00 0.00 61.98 60.69 1vle s VAL 523 Cb -0.14 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.54 1vle s VAL 523 CO -0.01 0.49 -0.09 -0.55 0.00 0.00 0.00 175.10 174.94 1vle s SER 524 N -0.85 2.74 -0.57 3.32 0.15 0.34 0.25 113.70 119.07 1vle s SER 524 Ca 0.11 -0.57 -0.07 0.00 0.70 0.00 0.00 55.95 56.11 1vle s SER 524 Cb -0.10 -1.03 0.15 0.00 -1.71 0.00 0.00 66.02 63.33 1vle s SER 524 CO 0.00 -0.13 0.43 -1.58 1.20 0.00 0.00 173.24 173.17 1vle s GLN 525 N 1.57 2.65 0.36 5.44 0.74 0.16 -0.15 119.66 130.42 1vle s GLN 525 Ca 0.03 -2.13 0.06 0.00 0.05 0.00 0.00 55.36 53.37 1vle s GLN 525 Cb -0.14 -3.92 -0.02 0.00 1.10 0.00 0.00 33.01 30.03 1vle s GLN 525 CO -0.09 -1.19 0.23 0.43 -0.55 0.00 0.00 175.29 174.12 1vle n SER 526 N 4.28 0.05 -0.11 6.67 7.64 -0.86 -1.86 113.62 129.43 1vle n SER 526 Ca 0.01 -3.17 -0.21 0.00 1.01 0.00 0.00 58.87 56.51 1vle n SER 526 Cb 0.41 1.41 -0.08 0.00 -1.01 0.00 0.00 64.21 64.94 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 -0.74 1.21 -4.63 0.44 5.41 -1.26 -0.07 119.36 119.71 1vle n ILE 527 Ca 0.02 -0.36 -0.34 0.00 1.00 0.00 0.00 62.75 63.08 1vle n ILE 527 Cb 0.60 -1.62 -0.11 0.00 -0.71 0.00 0.00 39.64 37.80 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 -2.41 2.91 -1.04 1.39 0.51 -1.26 -0.91 118.94 118.13 1vle s TRP 528 Ca -0.30 -0.00 -0.22 0.00 -2.12 0.00 0.00 56.10 53.45 1vle s TRP 528 Cb 0.10 -1.69 0.05 0.00 -0.81 0.00 0.00 33.47 31.13 1vle s TRP 528 CO 0.42 0.32 1.47 0.12 -0.51 0.00 0.00 176.95 178.77 1vle s PHE 529 N -0.82 2.57 0.36 -1.98 5.36 0.12 -4.82 117.98 118.76 1vle s PHE 529 Ca 0.13 -0.93 -0.12 0.00 -0.96 0.00 0.00 56.93 55.05 1vle s PHE 529 Cb -0.11 -4.69 0.03 0.00 -0.34 0.00 0.00 43.02 37.91 1vle s PHE 529 CO 0.02 -1.91 0.66 -1.83 -1.46 0.00 0.00 175.22 170.70 1vle s GLU 530 N 4.84 2.06 1.98 10.12 -1.05 -1.26 -4.94 118.70 130.45 1vle s GLU 530 Ca 0.46 -1.50 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 1vle s GLU 530 Cb 0.00 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 1vle s GLU 530 CO -0.08 -0.92 0.00 0.41 0.95 0.00 0.00 175.26 175.61 1vle n GLY 531 N -0.53 2.19 0.09 -3.83 0.00 -1.16 -1.43 105.19 100.52 1vle n GLY 531 Ca -0.05 0.42 0.13 0.00 0.00 0.00 0.00 46.02 46.53 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 6.39 0.24 -0.24 1.61 1.02 0.07 -4.30 120.64 125.45 1vle n GLU 532 Ca 0.00 0.18 0.04 0.00 -0.02 0.00 0.00 57.16 57.36 1vle n GLU 532 Cb 0.00 -1.76 0.16 0.00 -0.02 0.00 0.00 31.44 29.82 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 0.64 0.00 2.62 2.07 -1.46 -2.42 116.25 117.70 1vle h VAL 533 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1vle h VAL 533 Cb 0.72 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1vle h VAL 533 CO 0.00 0.07 0.00 -2.65 0.02 0.00 0.00 177.57 175.01 1vle n PRO 534 N -5.06 0.29 -0.00 1.57 -0.02 -1.26 -1.81 135.00 128.72 1vle n PRO 534 Ca 0.13 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.65 1vle n PRO 534 Cb 0.39 -1.08 -0.06 0.00 -0.02 0.00 0.00 33.50 32.74 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 -0.05 0.00 -1.41 6.00 3.01 -0.91 -3.11 117.46 120.98 1vle n PHE 535 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 1vle n PHE 535 Cb 0.04 -0.09 0.07 0.00 -0.01 0.00 0.00 39.48 39.49 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 -2.16 2.43 -0.07 4.37 0.00 -0.75 -4.45 121.76 121.13 1vle s ALA 536 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.20 1vle s ALA 536 Cb 0.06 -3.22 -0.24 0.00 0.00 0.00 0.00 23.12 19.72 1vle s ALA 536 CO 0.35 -1.53 0.57 -0.25 0.00 0.00 0.00 175.76 174.89 1vle n ASP 537 N -3.35 1.13 -3.87 0.00 8.00 0.20 -4.54 116.55 114.12 1vle n ASP 537 Ca 0.08 0.35 -0.18 0.00 0.71 0.00 0.00 54.79 55.75 1vle n ASP 537 Cb 0.53 -0.21 -0.16 0.00 -0.02 0.00 0.00 41.12 41.27 1vle n ASP 537 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1vle s ILE 538 N -2.58 0.34 -0.13 0.53 -1.09 -1.03 -1.10 121.20 116.14 1vle s ILE 538 Ca -0.09 -0.04 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 1vle s ILE 538 Cb 0.08 -0.39 0.00 0.00 -1.58 0.00 0.00 42.46 40.57 1vle s ILE 538 CO 0.81 0.17 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.85 1vle s ILE 539 N 0.79 2.22 -0.18 2.92 1.01 0.19 -0.51 121.20 127.64 1vle s ILE 539 Ca -0.09 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 1vle s ILE 539 Cb -0.12 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1vle s ILE 539 CO -0.01 0.55 -0.09 -0.76 0.00 0.00 0.00 174.94 174.63 1vle s LEU 540 N 0.63 2.73 -0.23 2.97 1.43 0.79 -1.09 118.68 125.91 1vle s LEU 540 Ca -0.11 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 1vle s LEU 540 Cb -0.16 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1vle s LEU 540 CO 0.02 0.05 1.32 -2.84 0.23 0.00 0.00 176.35 175.13 1vle s PRO 541 N 1.06 4.05 0.10 1.29 0.02 -1.26 -2.03 135.00 138.23 1vle s PRO 541 Ca 0.00 1.49 0.03 0.00 0.02 0.00 0.00 61.00 62.55 1vle s PRO 541 Cb -0.15 -3.84 -0.04 0.00 0.02 0.00 0.00 34.50 30.49 1vle s PRO 541 CO -0.02 -0.95 0.09 0.00 -0.33 0.00 0.00 177.00 175.80 1vle s ALA 542 N 4.05 3.56 0.46 -1.55 0.00 0.90 -1.98 121.76 127.20 1vle s ALA 542 Ca 0.57 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 51.54 1vle s ALA 542 Cb -0.20 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.53 1vle s ALA 542 CO 0.20 0.70 0.63 0.00 0.00 0.00 0.00 175.76 177.29 1vle s THR 544 N -2.48 2.11 -0.84 0.00 -4.23 -1.26 -4.82 115.64 104.13 1vle s THR 544 Ca 0.56 -0.18 0.17 0.00 -1.18 0.00 0.00 61.69 61.06 1vle s THR 544 Cb -0.10 -2.93 0.16 0.00 1.34 0.00 0.00 72.50 70.97 1vle s THR 544 CO 0.35 0.00 1.54 -0.46 -0.54 0.00 0.00 174.62 175.50 1vle n ASN 545 N -3.26 0.21 -0.05 3.99 6.94 -1.26 -1.99 115.26 119.84 1vle n ASN 545 Ca 0.11 0.55 0.14 0.00 -0.02 0.00 0.00 54.58 55.37 1vle n ASN 545 Cb 0.60 -0.60 0.64 0.00 -2.36 0.00 0.00 39.78 38.07 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 -1.73 0.00 -0.47 -2.53 3.01 -1.26 -3.55 117.46 110.93 1vle n PHE 546 Ca 0.03 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.55 1vle n PHE 546 Cb 0.19 -0.26 0.16 0.00 -0.01 0.00 0.00 39.48 39.55 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 -1.18 2.77 -3.94 -1.08 1.02 -0.84 -1.63 120.64 115.76 1vle n GLU 547 Ca 0.13 -2.24 -0.09 0.00 -0.02 0.00 0.00 57.16 54.93 1vle n GLU 547 Cb 0.28 -1.42 -0.05 0.00 -0.02 0.00 0.00 31.44 30.23 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 -1.70 1.47 -0.04 3.49 1.70 -1.23 -4.28 118.95 118.37 1vle s ARG 548 Ca 0.26 -1.16 -0.17 0.00 -0.47 0.00 0.00 55.73 54.19 1vle s ARG 548 Cb 0.18 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.98 1vle s ARG 548 CO 0.10 -0.61 0.46 -1.58 -1.08 0.00 0.00 175.30 172.59 1vle s TRP 549 N -3.98 3.65 0.31 5.89 0.52 -1.26 -3.51 118.94 120.55 1vle s TRP 549 Ca 0.19 0.99 -0.11 0.00 0.02 0.00 0.00 56.10 57.18 1vle s TRP 549 Cb -0.00 -2.43 0.05 0.00 -1.15 0.00 0.00 33.47 29.93 1vle s TRP 549 CO 0.06 0.44 0.62 -3.47 0.02 0.00 0.00 176.95 174.61 1vle n ASP 550 N 2.57 -1.79 -3.78 2.95 -0.08 -0.30 -4.65 116.55 111.48 1vle n ASP 550 Ca -0.11 -2.26 -0.13 0.00 -1.51 0.00 0.00 54.79 50.78 1vle n ASP 550 Cb 0.52 2.99 -0.09 0.00 2.34 0.00 0.00 41.12 46.87 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 -2.31 0.04 0.29 5.18 2.07 -1.26 0.07 121.20 125.29 1vle s ILE 551 Ca 0.13 -0.35 -0.19 0.00 -1.41 0.00 0.00 60.65 58.83 1vle s ILE 551 Cb -0.04 -0.54 0.07 0.00 0.13 0.00 0.00 42.46 42.08 1vle s ILE 551 CO 0.10 -0.19 0.91 -0.94 -1.91 0.00 0.00 174.94 172.90 1vle s SER 552 N -0.88 0.02 0.01 4.50 1.04 -1.10 -1.41 113.70 115.89 1vle s SER 552 Ca -0.10 -0.95 0.05 0.00 0.48 0.00 0.00 55.95 55.44 1vle s SER 552 Cb -0.05 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 1vle s SER 552 CO 0.03 -1.37 -0.16 -0.70 0.98 0.00 0.00 173.24 172.01 1vle s GLU 553 N -2.16 1.21 -0.40 4.02 2.12 -1.26 -2.01 118.70 120.21 1vle s GLU 553 Ca 0.19 -0.67 -0.40 0.00 0.36 0.00 0.00 54.97 54.45 1vle s GLU 553 Cb -0.04 -1.21 -0.15 0.00 0.26 0.00 0.00 34.13 32.99 1vle s GLU 553 CO 0.09 0.32 2.09 0.34 -0.54 0.00 0.00 175.26 177.56 1vle n PHE 554 N 2.36 1.49 -0.98 5.30 -0.00 0.34 -1.09 117.46 124.89 1vle n PHE 554 Ca -0.16 0.54 -0.01 0.00 -0.00 0.00 0.00 57.45 57.82 1vle n PHE 554 Cb 0.54 -2.42 -0.01 0.00 -0.00 0.00 0.00 39.48 37.60 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 8.14 -0.02 -2.39 3.13 0.00 -1.26 -4.73 120.51 123.38 1vle n ALA 555 Ca 0.44 0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.50 1vle n ALA 555 Cb 0.10 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.92 5.92 -0.24 0.00 3.84 -0.25 -4.44 114.94 117.86 1vle s ASN 556 Ca 0.00 -0.14 -0.17 0.00 0.21 0.00 0.00 52.86 52.76 1vle s ASN 556 Cb 0.00 -2.55 -0.14 0.00 -0.55 0.00 0.00 41.25 38.01 1vle s ASN 556 CO 0.00 -1.96 -0.09 0.00 -2.79 0.00 0.00 177.10 172.25 1vle n SER 558 N -4.36 0.00 0.00 0.00 2.88 -1.19 -2.03 113.62 108.92 1vle n SER 558 Ca -0.40 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.14 1vle n SER 558 Cb 0.75 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 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 1.59 0.00 0.46 0.00 -1.26 -1.12 105.19 104.86 1vle n GLY 559 Ca 0.00 0.36 0.12 0.00 0.00 0.00 0.00 46.02 46.50 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 1.28 0.00 -3.21 1.61 4.02 -1.26 -3.54 117.16 116.06 1vle n TYR 560 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 1vle n TYR 560 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 1vle n TYR 560 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1vle n ILE 561 N -0.91 -0.31 -1.62 -0.72 5.41 -0.27 -4.25 119.36 116.69 1vle n ILE 561 Ca 0.18 -4.19 -0.49 0.00 1.00 0.00 0.00 62.75 59.24 1vle n ILE 561 Cb 0.08 -1.83 -0.05 0.00 -0.71 0.00 0.00 39.64 37.14 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 1.24 1.50 -3.93 0.38 -0.02 -1.23 -2.50 135.00 130.44 1vle n PRO 562 Ca 0.22 0.54 -0.30 0.00 -2.02 0.00 0.00 63.50 61.94 1vle n PRO 562 Cb 0.53 -2.20 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.66 -4.01 0.00 2.55 8.00 -1.26 -4.84 116.55 119.65 1vle n ASP 563 Ca 0.17 -0.82 0.11 0.00 0.71 0.00 0.00 54.79 54.96 1vle n ASP 563 Cb 0.24 -3.74 0.66 0.00 -0.02 0.00 0.00 41.12 38.25 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 -2.85 0.00 0.00 -2.24 0.23 -1.04 -2.67 115.26 106.69 1vle n ASN 564 Ca -0.01 -1.02 0.07 0.00 -0.53 0.00 0.00 54.58 53.09 1vle n ASN 564 Cb 0.55 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.59 1vle n ASN 564 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vle n TYR 565 N -0.90 0.00 1.36 -2.53 4.11 -1.26 -2.03 117.16 115.90 1vle n TYR 565 Ca 0.17 0.00 0.01 0.00 -0.00 0.00 0.00 57.90 58.07 1vle n TYR 565 Cb 0.08 -0.42 0.04 0.00 -0.00 0.00 0.00 39.34 39.04 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 -1.42 0.68 0.15 -3.48 10.64 -1.09 -2.02 117.38 120.84 1vle n GLN 566 Ca 0.05 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.30 1vle n GLN 566 Cb 0.15 -1.03 0.06 0.00 -0.86 0.00 0.00 30.24 28.56 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 0.00-10.31 2.61 3.38 -1.57 -3.11 115.31 106.31 1vle h LEU 567 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1vle h LEU 567 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1vle h LEU 567 CO 0.00 0.19 -0.26 0.00 0.09 0.00 0.00 178.44 178.46 1vle h ASN 569 N 0.77 0.00 -5.04 0.00 2.35 -1.87 -3.46 115.58 108.32 1vle h ASN 569 Ca -0.47 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.19 1vle h ASN 569 Cb 1.25 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.45 1vle h ASN 569 CO 0.56 0.00 -0.22 -1.00 -1.65 0.00 0.00 177.43 175.12 1vle s HIS 570 N -3.26 -0.15 -0.44 1.19 3.76 -1.26 -4.83 115.29 110.30 1vle s HIS 570 Ca 0.07 0.07 -0.21 0.00 -0.15 0.00 0.00 55.06 54.83 1vle s HIS 570 Cb 0.08 0.12 0.02 0.00 1.11 0.00 0.00 32.58 33.92 1vle s HIS 570 CO 0.61 -0.50 0.69 1.03 -0.85 0.00 0.00 174.74 175.72 1vle s ARG 571 N -2.38 3.31 -0.27 1.40 0.52 -1.26 -4.95 118.95 115.33 1vle s ARG 571 Ca -0.06 -0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 54.82 1vle s ARG 571 Cb -0.01 -3.95 0.02 0.00 0.52 0.00 0.00 34.95 31.53 1vle s ARG 571 CO -0.02 -1.04 -0.00 0.08 0.02 0.00 0.00 175.30 174.33 1vle s VAL 572 N 2.96 3.32 -0.30 3.52 1.01 -1.26 -1.13 120.40 128.51 1vle s VAL 572 Ca 0.25 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1vle s VAL 572 Cb -0.14 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 1vle s VAL 572 CO 0.20 0.16 0.18 -0.63 0.00 0.00 0.00 175.10 175.01 1vle s ILE 573 N 1.40 4.94 0.09 2.22 1.01 0.16 -0.50 121.20 130.52 1vle s ILE 573 Ca 0.01 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.54 1vle s ILE 573 Cb -0.17 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1vle s ILE 573 CO -0.02 0.12 -0.14 -0.94 0.00 0.00 0.00 174.94 173.97 1vle s SER 574 N 1.68 1.78 0.04 3.58 1.04 -0.85 0.12 113.70 121.09 1vle s SER 574 Ca 0.06 -0.68 -0.30 0.00 0.48 0.00 0.00 55.95 55.51 1vle s SER 574 Cb -0.17 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 1vle s SER 574 CO 0.08 -0.10 0.97 -0.22 0.98 0.00 0.00 173.24 174.95 1vle s LEU 575 N -1.96 4.42 -0.88 2.42 2.96 0.10 -2.70 118.68 123.04 1vle s LEU 575 Ca 0.01 1.70 -0.15 0.00 -0.22 0.00 0.00 54.13 55.47 1vle s LEU 575 Cb -0.08 -3.57 0.19 0.00 0.50 0.00 0.00 46.19 43.23 1vle s LEU 575 CO 0.02 -0.19 0.90 -1.10 -1.32 0.00 0.00 176.35 174.67 1vle s GLN 576 N 0.64 3.64 0.40 1.98 -0.21 0.11 -3.66 119.66 122.56 1vle s GLN 576 Ca 0.50 -2.29 -0.25 0.00 0.02 0.00 0.00 55.36 53.34 1vle s GLN 576 Cb -0.22 -4.59 -0.08 0.00 1.00 0.00 0.00 33.01 29.11 1vle s GLN 576 CO 0.29 -1.44 1.19 0.00 -2.12 0.00 0.00 175.29 173.20 1vle s ALA 577 N 0.88 3.17 -0.79 6.09 0.00 -0.62 -1.15 121.76 129.35 1vle s ALA 577 Ca 0.23 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 52.94 1vle s ALA 577 Cb -0.08 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.65 1vle s ALA 577 CO -0.09 -0.56 1.59 0.21 0.00 0.00 0.00 175.76 176.91 1vle s LYS 578 N -2.27 3.01 0.21 0.00 2.20 -1.23 -4.73 119.74 116.92 1vle s LYS 578 Ca 0.57 -0.18 -0.03 0.00 -0.36 0.00 0.00 55.97 55.97 1vle s LYS 578 Cb -0.32 -4.62 0.16 0.00 -1.51 0.00 0.00 37.83 31.54 1vle s LYS 578 CO 0.40 -2.53 1.55 0.00 -0.36 0.00 0.00 175.35 174.41 1vle s ILE 580 N -4.16 0.04 0.51 0.00 -4.36 -1.15 -4.86 121.20 107.23 1vle s ILE 580 Ca -0.08 -1.71 -0.20 0.00 -0.26 0.00 0.00 60.65 58.41 1vle s ILE 580 Cb 0.12 -2.16 -0.07 0.00 1.25 0.00 0.00 42.46 41.59 1vle s ILE 580 CO 0.83 -0.19 1.07 -1.61 0.24 0.00 0.00 174.94 175.29 1vle s GLU 581 N -4.06 3.60 0.29 0.37 0.41 -1.26 -4.42 118.70 113.64 1vle s GLU 581 Ca 0.27 1.45 -0.29 0.00 -0.41 0.00 0.00 54.97 55.99 1vle s GLU 581 Cb 0.05 -2.06 -0.14 0.00 -1.78 0.00 0.00 34.13 30.20 1vle s GLU 581 CO 0.06 -0.61 1.12 -2.30 -0.49 0.00 0.00 175.26 173.04 1vle n PRO 582 N -1.15 1.58 -2.39 0.39 -0.02 -1.26 -4.90 135.00 127.24 1vle n PRO 582 Ca 0.10 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 1vle n PRO 582 Cb 0.52 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 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 -0.93 3.48 0.00 -1.45 1.01 -1.26 -4.78 120.40 116.47 1vle s VAL 583 Ca 0.60 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.92 1vle s VAL 583 Cb -0.67 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1vle s VAL 583 CO 0.59 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.57 1vle n GLY 584 N 1.69 1.80 2.00 4.51 0.00 -1.26 -2.77 105.19 111.15 1vle n GLY 584 Ca 0.02 -0.56 -0.10 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 7.70 3.32 -2.18 1.61 2.13 -0.39 -4.98 120.64 127.85 1vle n GLU 585 Ca 0.00 -3.08 -0.29 0.00 0.66 0.00 0.00 57.16 54.45 1vle n GLU 585 Cb 0.00 -2.19 0.01 0.00 0.27 0.00 0.00 31.44 29.53 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 -1.18 6.10 0.13 4.31 1.04 -1.12 -4.76 113.70 118.23 1vle s SER 586 Ca 0.55 1.16 -0.09 0.00 0.48 0.00 0.00 55.95 58.05 1vle s SER 586 Cb 0.45 -2.27 -0.01 0.00 0.10 0.00 0.00 66.02 64.29 1vle s SER 586 CO 0.12 -0.84 0.24 0.00 0.98 0.00 0.00 173.24 173.75 1vle s MET 587 N -5.03 1.03 0.58 4.02 0.23 -0.84 -4.73 119.30 114.56 1vle s MET 587 Ca 0.53 -1.10 -0.20 0.00 -1.03 0.00 0.00 55.69 53.89 1vle s MET 587 Cb -0.11 0.36 -0.04 0.00 -1.53 0.00 0.00 34.83 33.52 1vle s MET 587 CO 0.50 -0.36 1.31 -1.54 -2.03 0.00 0.00 175.02 172.90 1vle s SER 588 N -2.93 5.07 0.34 -1.18 1.04 -1.26 -2.18 113.70 112.61 1vle s SER 588 Ca 0.13 2.66 0.07 0.00 0.48 0.00 0.00 55.95 59.28 1vle s SER 588 Cb 0.04 -2.62 0.75 0.00 0.10 0.00 0.00 66.02 64.28 1vle s SER 588 CO -0.04 -1.69 1.88 0.44 0.98 0.00 0.00 173.24 174.80 1vle h ASP 589 N 1.11 0.72 -0.02 7.02 3.32 -1.93 -0.35 116.42 126.30 1vle h ASP 589 Ca -0.51 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1vle h ASP 589 Cb 1.31 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1vle h ASP 589 CO 0.56 0.38 0.01 0.22 -1.72 0.00 0.00 179.24 178.69 1vle h TYR 590 N 0.77 0.03 0.00 4.55 5.03 -1.92 -0.91 116.97 124.52 1vle h TYR 590 Ca 0.44 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.71 1vle h TYR 590 Cb 0.60 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.87 1vle h TYR 590 CO -0.00 0.13 -0.17 0.93 -1.32 0.00 0.00 178.16 177.73 1vle h GLU 591 N -0.09 0.00 -0.02 1.82 4.39 -1.71 0.25 114.58 119.22 1vle h GLU 591 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1vle h GLU 591 Cb 0.12 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1vle h GLU 591 CO -0.00 0.17 0.00 0.82 -1.16 0.00 0.00 179.01 178.84 1vle h ILE 592 N 0.00 1.22 -0.31 3.13 2.04 -0.58 -1.84 117.51 121.17 1vle h ILE 592 Ca -0.00 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 1vle h ILE 592 Cb 0.32 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1vle h ILE 592 CO 0.02 0.17 -0.17 1.88 0.00 0.00 0.00 178.15 180.06 1vle h TYR 593 N -0.22 0.60 -0.55 1.37 0.99 -0.54 -1.70 116.97 116.92 1vle h TYR 593 Ca 0.01 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 1vle h TYR 593 Cb 0.27 -0.15 -0.03 0.00 1.00 0.00 0.00 36.73 37.82 1vle h TYR 593 CO 0.02 0.69 0.25 -0.09 -0.00 0.00 0.00 178.16 179.03 1vle h ARG 594 N 0.50 0.77 -0.28 4.88 2.43 -0.35 0.47 114.38 122.79 1vle h ARG 594 Ca 0.08 -0.10 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1vle h ARG 594 Cb 0.57 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1vle h ARG 594 CO 0.04 0.60 -0.42 1.25 -1.51 0.00 0.00 179.97 179.93 1vle h LEU 595 N 0.77 0.85 -0.41 3.80 5.85 -0.82 -1.77 115.31 123.57 1vle h LEU 595 Ca 0.19 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 1vle h LEU 595 Cb 0.09 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1vle h LEU 595 CO -0.02 1.20 0.07 -0.26 -0.34 0.00 0.00 178.44 179.09 1vle h PHE 596 N 0.52 0.72 -0.41 1.25 -1.00 -0.59 -2.17 116.94 115.26 1vle h PHE 596 Ca 0.03 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 60.75 1vle h PHE 596 Cb 1.02 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 40.34 1vle h PHE 596 CO 0.08 0.70 0.17 0.00 -1.61 0.00 0.00 178.31 177.65 1vle h ALA 597 N 0.93 0.50 -0.27 2.45 0.00 -0.04 0.22 119.26 123.05 1vle h ALA 597 Ca 0.13 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1vle h ALA 597 Cb 0.36 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1vle h ALA 597 CO 0.01 -0.20 -0.13 -0.22 0.00 0.00 0.00 179.25 178.70 1vle h LYS 598 N 0.36 -0.09 0.00 0.00 3.64 -1.12 0.18 116.57 119.53 1vle h LYS 598 Ca 0.19 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1vle h LYS 598 Cb 0.14 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1vle h LYS 598 CO -0.16 -0.06 0.00 0.87 -2.27 0.00 0.00 179.45 177.83 1vle h LYS 599 N -0.09 0.00 -0.55 1.90 1.57 -0.72 -2.24 116.57 116.43 1vle h LYS 599 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1vle h LYS 599 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1vle h LYS 599 CO -0.33 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.83 1vle n LEU 600 N -2.32 3.71 -1.86 2.94 4.77 0.70 -4.95 117.00 119.99 1vle n LEU 600 Ca 0.02 -1.74 -0.17 0.00 -0.03 0.00 0.00 56.01 54.10 1vle n LEU 600 Cb 0.26 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1vle n LEU 600 CO 0.22 0.86 -0.21 -3.20 -1.33 0.00 0.00 177.39 173.73 1vle n ASN 601 N 1.58 -4.97 -0.18 -1.43 5.15 -0.21 -4.88 115.26 110.31 1vle n ASN 601 Ca 0.22 0.03 0.03 0.00 -0.60 0.00 0.00 54.58 54.25 1vle n ASN 601 Cb 0.62 -4.06 0.04 0.00 -0.53 0.00 0.00 39.78 35.85 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 -3.87 0.75 -0.29 -1.44 -5.35 -0.13 -4.86 119.36 104.17 1vle n ILE 602 Ca -0.20 -0.87 0.06 0.00 -0.27 0.00 0.00 62.75 61.47 1vle n ILE 602 Cb 0.64 0.37 0.21 0.00 -1.74 0.00 0.00 39.64 39.12 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 0.00 0.63 -0.04 6.28 4.81 -1.79 -1.32 114.58 123.15 1vle h GLU 603 Ca 0.00 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1vle h GLU 603 Cb 1.04 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1vle h GLU 603 CO 0.00 0.41 -0.04 1.49 -0.73 0.00 0.00 179.01 180.15 1vle h GLU 604 N 0.64 -0.05 -0.38 1.92 4.57 -1.91 0.11 114.58 119.49 1vle h GLU 604 Ca 0.44 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.56 1vle h GLU 604 Cb 0.58 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 1vle h GLU 604 CO -0.34 -0.03 -0.04 0.52 -1.18 0.00 0.00 179.01 177.94 1vle h MET 605 N -0.05 0.63 0.02 1.92 2.86 -1.80 0.17 114.93 118.69 1vle h MET 605 Ca 0.03 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1vle h MET 605 Cb 0.09 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1vle h MET 605 CO -0.07 0.68 -0.01 0.35 1.06 0.00 0.00 176.91 178.93 1vle h PHE 606 N 0.59 -0.02 0.00 -0.22 3.57 -0.95 -3.38 116.94 116.53 1vle h PHE 606 Ca 0.12 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.46 1vle h PHE 606 Cb 0.44 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1vle h PHE 606 CO 0.02 0.74 -1.25 0.66 -2.23 0.00 0.00 178.31 176.25 1vle h SER 607 N -0.86 0.00 -5.30 0.41 4.64 -0.86 -3.48 113.55 108.10 1vle h SER 607 Ca -0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1vle h SER 607 Cb 0.77 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1vle h SER 607 CO 0.00 0.56 -0.62 -0.62 -0.87 0.00 0.00 176.83 175.29 1vle n GLU 608 N -2.95 -4.60 -2.48 4.77 1.02 0.05 -1.36 120.64 115.09 1vle n GLU 608 Ca -0.07 0.67 -0.20 0.00 -0.02 0.00 0.00 57.16 57.54 1vle n GLU 608 Cb 0.82 -5.49 -0.01 0.00 -0.02 0.00 0.00 31.44 26.75 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 -1.44 -0.50 3.32 0.62 0.00 -1.26 -5.00 105.19 100.93 1vle n GLY 609 Ca -0.04 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.12 1.22 0.56 1.61 1.02 -0.46 -5.12 119.74 113.45 1vle s LYS 610 Ca 0.03 -1.22 0.08 0.00 0.02 0.00 0.00 55.97 54.88 1vle s LYS 610 Cb -0.02 -1.56 0.07 0.00 -0.52 0.00 0.00 37.83 35.80 1vle s LYS 610 CO 0.04 0.37 0.68 0.16 -0.92 0.00 0.00 175.35 175.68 1vle s ASP 611 N -1.95 4.97 0.20 2.83 1.47 -1.26 -4.87 116.67 118.05 1vle s ASP 611 Ca 0.09 -0.96 -0.12 0.00 1.18 0.00 0.00 52.55 52.74 1vle s ASP 611 Cb -0.10 0.33 0.24 0.00 -0.34 0.00 0.00 42.92 43.04 1vle s ASP 611 CO 0.05 -1.27 1.69 -0.33 0.68 0.00 0.00 175.17 175.99 1vle h GLU 612 N 0.35 0.17 -0.39 2.11 5.08 -1.99 -1.23 114.58 118.67 1vle h GLU 612 Ca -0.32 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 1vle h GLU 612 Cb 1.29 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1vle h GLU 612 CO 0.46 0.11 0.12 1.25 -1.00 0.00 0.00 179.01 179.95 1vle h LEU 613 N 0.17 0.52 -0.22 1.33 5.85 -1.96 -0.96 115.31 120.05 1vle h LEU 613 Ca 0.28 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1vle h LEU 613 Cb 0.42 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1vle h LEU 613 CO -0.41 0.51 0.05 0.00 -0.34 0.00 0.00 178.44 178.24 1vle h ALA 614 N 1.57 0.29 -0.82 1.25 0.00 -1.63 -2.33 119.26 117.58 1vle h ALA 614 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1vle h ALA 614 Cb 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1vle h ALA 614 CO -0.01 -0.06 0.48 -1.49 0.00 0.00 0.00 179.25 178.17 1vle h TRP 615 N 0.17 1.09 -0.76 0.00 4.06 -0.79 -2.49 115.95 117.23 1vle h TRP 615 Ca 0.07 -0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.06 1vle h TRP 615 Cb 0.28 -0.36 -0.06 0.00 -1.00 0.00 0.00 29.16 28.03 1vle h TRP 615 CO 0.01 0.74 0.46 0.00 -3.56 0.00 0.00 178.44 176.09 1vle h GLU 617 N 0.85 0.36 -0.50 0.00 4.81 -1.00 0.29 114.58 119.38 1vle h GLU 617 Ca 0.33 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1vle h GLU 617 Cb 0.15 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1vle h GLU 617 CO -0.16 0.47 0.33 0.37 -0.73 0.00 0.00 179.01 179.28 1vle h GLN 618 N 0.19 0.66 0.12 1.92 4.15 -1.07 -1.21 115.11 119.85 1vle h GLN 618 Ca 0.07 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.47 1vle h GLN 618 Cb 0.27 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 1vle h GLN 618 CO 0.00 0.43 -0.26 -0.92 -1.93 0.00 0.00 178.83 176.15 1vle h TYR 619 N 0.68 -0.70 -0.79 3.99 3.20 -0.33 -2.22 116.97 120.79 1vle h TYR 619 Ca 0.18 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.23 1vle h TYR 619 Cb -0.08 0.30 -0.10 0.00 1.54 0.00 0.00 36.73 38.38 1vle h TYR 619 CO -0.04 -0.37 0.30 0.35 -1.64 0.00 0.00 178.16 176.77 1vle h PHE 620 N -0.47 0.51 0.00 -3.82 3.57 -0.02 0.20 116.94 116.91 1vle h PHE 620 Ca 0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1vle h PHE 620 Cb 0.50 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1vle h PHE 620 CO -0.24 0.02 0.00 0.09 -2.23 0.00 0.00 178.31 175.95 1vle n ASN 621 N -5.03 0.61 -0.56 0.41 3.02 -0.50 -2.23 115.26 110.98 1vle n ASN 621 Ca 0.16 0.64 0.08 0.00 -0.03 0.00 0.00 54.58 55.42 1vle n ASN 621 Cb 0.48 -0.77 0.26 0.00 -0.61 0.00 0.00 39.78 39.13 1vle n ASN 621 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vle n ALA 622 N -1.74 2.48 -4.03 5.41 0.00 0.69 -4.88 120.51 118.43 1vle n ALA 622 Ca 0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 53.44 52.84 1vle n ALA 622 Cb 0.25 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 0.36 0.00 1.29 0.00 -2.24 -0.94 -4.71 114.28 108.04 1vle n THR 623 Ca 0.13 -0.67 0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1vle n THR 623 Cb 0.29 -0.02 0.45 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.35 0.85 -0.29 3.42 10.43 -0.74 -4.27 116.55 124.60 1vle n ASP 624 Ca -0.04 -0.79 0.10 0.00 2.57 0.00 0.00 54.79 56.63 1vle n ASP 624 Cb 0.18 0.07 0.26 0.00 1.84 0.00 0.00 41.12 43.47 1vle n ASP 624 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 1vle h MET 625 N 1.02 0.42 0.00 -1.24 2.86 -1.80 0.92 114.93 117.10 1vle h MET 625 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1vle h MET 625 Cb 0.46 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1vle h MET 625 CO 0.00 0.28 0.37 -1.35 1.06 0.00 0.00 176.91 177.27 1vle h PRO 626 N 0.43 0.00 0.00 -0.22 0.11 -1.74 0.54 132.00 131.12 1vle h PRO 626 Ca 0.51 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.54 1vle h PRO 626 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1vle h PRO 626 CO -0.48 0.00 -0.34 0.87 -0.21 0.00 0.00 178.00 177.84 1vle h LYS 627 N 0.00 0.00 0.00 1.05 1.57 -1.13 -3.33 116.57 114.73 1vle h LYS 627 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1vle h LYS 627 Cb 0.74 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 1vle h LYS 627 CO 0.00 0.34 -2.17 0.66 -0.57 0.00 0.00 179.45 177.70 1vle n TYR 628 N -3.57 0.00 -3.53 -1.35 4.02 0.17 -5.07 117.16 107.83 1vle n TYR 628 Ca -0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.76 1vle n TYR 628 Cb 0.47 -0.79 -0.04 0.00 -0.02 0.00 0.00 39.34 38.96 1vle n TYR 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vle s MET 629 N -2.41 1.13 0.76 -0.72 0.23 -0.25 -5.12 119.30 112.93 1vle s MET 629 Ca -0.28 -0.43 -0.12 0.00 -1.03 0.00 0.00 55.69 53.84 1vle s MET 629 Cb 0.08 0.51 0.05 0.00 -1.53 0.00 0.00 34.83 33.94 1vle s MET 629 CO 0.46 -0.45 1.12 0.95 -2.03 0.00 0.00 175.02 175.07 1vle s THR 630 N -3.23 2.95 0.12 3.16 -4.23 -1.26 -3.64 115.64 109.50 1vle s THR 630 Ca -0.01 0.31 -0.22 0.00 -1.18 0.00 0.00 61.69 60.59 1vle s THR 630 Cb -0.00 -3.25 -0.07 0.00 1.34 0.00 0.00 72.50 70.52 1vle s THR 630 CO -0.08 -0.40 1.70 -0.25 -0.54 0.00 0.00 174.62 175.05 1vle h TRP 631 N -0.88 -0.20 -0.57 3.99 2.91 -1.96 0.20 115.95 119.45 1vle h TRP 631 Ca -0.46 0.01 0.09 0.00 1.13 0.00 0.00 58.89 59.66 1vle h TRP 631 Cb 1.28 0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 29.96 1vle h TRP 631 CO 0.43 -0.12 0.19 -0.44 -1.03 0.00 0.00 178.44 177.47 1vle h ASP 632 N -0.10 0.17 -0.34 2.65 3.45 -1.98 0.47 116.42 120.73 1vle h ASP 632 Ca 0.06 0.08 -0.04 0.00 0.43 0.00 0.00 57.03 57.56 1vle h ASP 632 Cb 0.19 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 1vle h ASP 632 CO -0.14 0.11 0.07 -0.33 -1.57 0.00 0.00 179.24 177.38 1vle h GLU 633 N 0.37 0.56 -0.04 3.56 5.08 -1.85 -1.63 114.58 120.63 1vle h GLU 633 Ca 0.29 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1vle h GLU 633 Cb 0.35 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1vle h GLU 633 CO -0.30 0.63 0.02 0.35 -1.00 0.00 0.00 179.01 178.71 1vle h PHE 634 N 0.40 0.06 -1.00 4.33 3.57 -0.30 -0.76 116.94 123.24 1vle h PHE 634 Ca 0.11 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.72 1vle h PHE 634 Cb 0.33 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 1vle h PHE 634 CO 0.02 0.11 0.63 0.35 -2.23 0.00 0.00 178.31 177.19 1vle h PHE 635 N -0.01 1.15 -0.20 0.41 3.57 -0.01 0.65 116.94 122.50 1vle h PHE 635 Ca 0.01 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 1vle h PHE 635 Cb 0.07 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.44 1vle h PHE 635 CO -0.05 0.48 -0.22 -0.22 -2.23 0.00 0.00 178.31 176.07 1vle h LYS 636 N 1.02 0.50 -0.36 1.11 3.64 -0.93 -3.27 116.57 118.28 1vle h LYS 636 Ca 0.49 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 1vle h LYS 636 Cb 0.44 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1vle h LYS 636 CO -0.25 0.85 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.52 1vle h LYS 637 N 0.17 0.66 0.00 1.90 3.64 -0.60 -3.47 116.57 118.86 1vle h LYS 637 Ca 0.03 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1vle h LYS 637 Cb 0.77 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1vle h LYS 637 CO 0.05 0.79 0.00 0.41 -2.27 0.00 0.00 179.45 178.44 1vle n GLY 638 N -0.27 3.00 3.39 5.01 0.00 0.17 -5.00 105.19 111.49 1vle n GLY 638 Ca -0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1vle n GLY 638 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1vle s TYR 639 N -2.82 -0.41 -0.04 1.61 -0.85 -1.26 0.01 117.35 113.59 1vle s TYR 639 Ca 0.00 0.41 -0.00 0.00 -0.52 0.00 0.00 57.07 56.96 1vle s TYR 639 Cb 0.00 0.35 0.03 0.00 0.38 0.00 0.00 41.96 42.72 1vle s TYR 639 CO 0.00 -0.66 0.00 0.12 -1.52 0.00 0.00 175.55 173.49 1vle s PHE 640 N -2.65 0.38 -0.37 -3.49 5.36 0.32 -4.97 117.98 112.57 1vle s PHE 640 Ca -0.04 -0.02 -0.19 0.00 -0.96 0.00 0.00 56.93 55.73 1vle s PHE 640 Cb -0.00 -0.50 0.00 0.00 -0.34 0.00 0.00 43.02 42.18 1vle s PHE 640 CO -0.03 -0.17 0.53 0.08 -1.46 0.00 0.00 175.22 174.17 1vle s VAL 641 N 1.27 4.99 0.19 3.12 1.01 -1.26 -0.66 120.40 129.05 1vle s VAL 641 Ca -0.06 0.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 1vle s VAL 641 Cb -0.13 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1vle s VAL 641 CO -0.02 -0.29 1.55 -0.69 0.00 0.00 0.00 175.10 175.65 1vle s VAL 642 N 2.45 2.56 0.71 2.92 1.01 -0.29 -4.36 120.40 125.41 1vle s VAL 642 Ca 0.19 0.42 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 1vle s VAL 642 Cb -0.15 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 32.99 1vle s VAL 642 CO 0.14 0.04 1.24 -2.84 0.00 0.00 0.00 175.10 173.68 1vle s PRO 643 N 0.75 2.20 0.68 2.72 0.02 -1.26 -4.64 135.00 135.46 1vle s PRO 643 Ca 0.68 1.87 -0.13 0.00 0.02 0.00 0.00 61.00 63.44 1vle s PRO 643 Cb -0.44 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.26 1vle s PRO 643 CO 0.35 -1.82 1.07 0.34 -0.33 0.00 0.00 177.00 176.61 1vle s ASP 644 N -1.82 5.31 -0.75 2.53 3.68 -1.26 -4.65 116.67 119.72 1vle s ASP 644 Ca 0.77 1.75 0.02 0.00 2.13 0.00 0.00 52.55 57.23 1vle s ASP 644 Cb -0.32 -2.52 0.18 0.00 -1.45 0.00 0.00 42.92 38.81 1vle s ASP 644 CO 0.44 -1.49 0.56 0.21 0.13 0.00 0.00 175.17 175.02 1vle s ASN 645 N -3.30 5.19 0.27 -0.34 3.84 -1.26 -4.96 114.94 114.37 1vle s ASN 645 Ca 0.61 -3.68 0.03 0.00 0.21 0.00 0.00 52.86 50.03 1vle s ASN 645 Cb -0.16 -1.74 0.70 0.00 -0.55 0.00 0.00 41.25 39.50 1vle s ASN 645 CO 0.48 -0.15 1.36 -2.65 -2.79 0.00 0.00 177.10 173.36 1vle n PRO 646 N 2.28 -0.07 0.00 0.43 -0.02 -1.26 -4.33 135.00 132.03 1vle n PRO 646 Ca 0.18 1.30 0.00 0.00 -2.02 0.00 0.00 63.50 62.96 1vle n PRO 646 Cb 0.36 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1vle n PRO 646 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1vle n ASN 647 N -5.24 0.00 -1.99 2.55 3.02 -1.26 -5.07 115.26 107.27 1vle n ASN 647 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1vle n ASN 647 Cb 0.70 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 1vle n ASN 647 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1vle n ARG 648 N 0.00 -5.53 -2.14 3.52 1.85 -1.26 -4.79 116.66 108.31 1vle n ARG 648 Ca 0.00 3.96 -0.39 0.00 -1.00 0.00 0.00 57.85 60.43 1vle n ARG 648 Cb 0.00 -4.35 -0.01 0.00 -1.05 0.00 0.00 32.46 27.05 1vle n ARG 648 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1vle s LYS 649 N -1.70 3.91 -0.10 2.89 -2.85 -1.26 -4.97 119.74 115.66 1vle s LYS 649 Ca 0.00 2.00 -0.22 0.00 -1.00 0.00 0.00 55.97 56.76 1vle s LYS 649 Cb 0.00 -2.65 -0.04 0.00 -2.06 0.00 0.00 37.83 33.09 1vle s LYS 649 CO 0.00 -0.49 0.63 0.15 0.10 0.00 0.00 175.35 175.74 1vle s LYS 650 N -2.36 4.38 -0.57 1.78 -0.14 -1.26 -5.02 119.74 116.54 1vle s LYS 650 Ca 0.59 0.73 0.04 0.00 -1.36 0.00 0.00 55.97 55.97 1vle s LYS 650 Cb -0.34 -3.47 0.14 0.00 -1.68 0.00 0.00 37.83 32.48 1vle s LYS 650 CO 0.43 0.04 0.34 0.95 -0.76 0.00 0.00 175.35 176.35 1vle s THR 651 N 0.95 2.46 0.21 2.17 -4.23 -1.26 -5.09 115.64 110.85 1vle s THR 651 Ca 0.33 -3.52 -0.32 0.00 -1.18 0.00 0.00 61.69 57.00 1vle s THR 651 Cb -0.17 -2.68 -0.13 0.00 1.34 0.00 0.00 72.50 70.87 1vle s THR 651 CO 0.15 -0.89 1.65 0.52 -0.54 0.00 0.00 174.62 175.51 1vle n VAL 652 N 2.78 0.19 -1.52 2.29 0.31 -1.26 -4.43 118.33 116.69 1vle n VAL 652 Ca 0.11 -0.05 -0.55 0.00 -0.01 0.00 0.00 64.34 63.85 1vle n VAL 652 Cb 0.34 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.36 1vle n VAL 652 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vle n ALA 653 N 3.48 -2.59 -0.66 3.52 0.00 -0.55 -1.47 120.51 122.24 1vle n ALA 653 Ca 0.15 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1vle n ALA 653 Cb 0.33 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 1.85 0.95 -0.06 0.00 4.77 -1.26 -4.51 117.00 118.74 1vle n LEU 654 Ca 0.19 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1vle n LEU 654 Cb 0.15 -1.70 0.28 0.00 -2.33 0.00 0.00 43.42 39.81 1vle n LEU 654 CO 0.61 -0.61 1.00 -0.09 -1.33 0.00 0.00 177.39 176.97 1vle h ARG 655 N 0.12 0.66 -0.62 3.23 2.43 -1.37 -1.03 114.38 117.80 1vle h ARG 655 Ca 0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1vle h ARG 655 Cb 0.27 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1vle h ARG 655 CO 0.00 0.60 0.39 0.11 -1.51 0.00 0.00 179.97 179.56 1vle h TRP 656 N 0.65 0.80 -0.19 2.20 5.08 -1.88 0.34 115.95 122.94 1vle h TRP 656 Ca 0.15 0.01 -0.10 0.00 1.08 0.00 0.00 58.89 60.03 1vle h TRP 656 Cb 0.23 -0.27 -0.00 0.00 -3.00 0.00 0.00 29.16 26.12 1vle h TRP 656 CO 0.01 0.52 -0.25 0.35 -1.28 0.00 0.00 178.44 177.79 1vle h PHE 657 N 0.85 0.63 -0.30 0.12 3.57 -1.51 0.20 116.94 120.49 1vle h PHE 657 Ca 0.23 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1vle h PHE 657 Cb -0.06 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1vle h PHE 657 CO 0.00 0.90 0.07 0.00 -2.23 0.00 0.00 178.31 177.05 1vle h ALA 658 N 0.62 1.57 -0.42 2.41 0.00 -0.58 -2.02 119.26 120.84 1vle h ALA 658 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vle h ALA 658 Cb 0.82 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1vle h ALA 658 CO 0.06 0.33 0.00 0.39 0.00 0.00 0.00 179.25 180.03 1vle n GLU 659 N -4.37 2.14 -2.50 0.00 1.02 0.05 -4.95 120.64 112.03 1vle n GLU 659 Ca 0.01 -1.76 -0.21 0.00 -0.02 0.00 0.00 57.16 55.19 1vle n GLU 659 Cb 0.17 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 3.20 0.62 0.00 -0.76 -5.00 105.19 104.06 1vle n GLY 660 Ca 0.17 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.15 0.88 -1.92 1.61 1.85 -0.01 -4.96 116.66 110.97 1vle n ARG 661 Ca -0.22 -3.14 -0.41 0.00 -1.00 0.00 0.00 57.85 53.09 1vle n ARG 661 Cb 0.67 0.68 -0.00 0.00 -1.05 0.00 0.00 32.46 32.76 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 -3.71 4.10 0.16 2.89 8.01 -1.26 -4.49 118.70 124.40 1vle s GLU 662 Ca 0.09 2.40 -0.34 0.00 0.01 0.00 0.00 54.97 57.13 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 0.06 -0.47 1.50 1.17 0.01 0.00 0.00 175.26 177.53 1vle n LYS 663 N 0.42 1.95 -0.00 1.61 0.00 -0.92 -4.85 118.16 116.37 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 0.41 -2.43 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 3.02 0.91 -4.88 3.14 5.75 -1.26 -5.07 116.55 118.14 1vle n ASP 664 Ca 0.16 -1.47 -0.21 0.00 -0.01 0.00 0.00 54.79 53.26 1vle n ASP 664 Cb 0.28 -0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.46 2.46 -2.00 2.12 -4.23 -1.26 -4.92 115.64 107.34 1vle s THR 665 Ca 0.00 -0.70 0.21 0.00 -1.18 0.00 0.00 61.69 60.03 1vle s THR 665 Cb 0.00 -2.76 0.61 0.00 1.34 0.00 0.00 72.50 71.69 1vle s THR 665 CO 0.00 0.00 1.70 -2.65 -0.54 0.00 0.00 174.62 173.13 1vle n PRO 666 N -2.46 0.78 -1.50 3.99 -0.02 -1.26 -4.90 135.00 129.63 1vle n PRO 666 Ca 0.11 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.21 1vle n PRO 666 Cb 0.60 -1.43 0.04 0.00 -0.02 0.00 0.00 33.50 32.69 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 -0.93 -0.57 -0.71 2.55 2.03 -1.26 -4.86 116.55 112.80 1vle n ASP 667 Ca 0.16 0.77 0.03 0.00 0.52 0.00 0.00 54.79 56.27 1vle n ASP 667 Cb 0.07 -1.22 0.12 0.00 -0.72 0.00 0.00 41.12 39.37 1vle n ASP 667 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1vle n TRP 668 N -1.62 0.50 -3.81 -0.67 7.02 -1.26 -4.89 117.44 112.71 1vle n TRP 668 Ca 0.12 -0.20 -0.04 0.00 -1.02 0.00 0.00 57.50 56.36 1vle n TRP 668 Cb 0.47 -0.12 0.00 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 -0.59 -0.03 0.75 6.99 0.00 -1.26 -4.72 107.32 108.46 1vle s GLY 669 Ca 0.17 -0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.60 1vle s GLY 669 CO 0.08 0.74 1.09 2.56 0.00 0.00 0.00 173.10 177.57 1vle s PRO 670 N -2.83 2.48 0.36 2.90 0.04 -1.26 -5.04 135.00 131.64 1vle s PRO 670 Ca 0.16 0.62 -0.26 0.00 0.04 0.00 0.00 61.00 61.56 1vle s PRO 670 Cb -0.03 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1vle s PRO 670 CO 0.05 -1.34 1.10 1.03 0.04 0.00 0.00 177.00 177.88 1vle s ARG 671 N -5.21 4.31 0.34 4.56 0.52 -1.26 -4.92 118.95 117.28 1vle s ARG 671 Ca 0.59 1.70 0.14 0.00 -0.52 0.00 0.00 55.73 57.64 1vle s ARG 671 Cb -0.13 -2.80 1.08 0.00 0.52 0.00 0.00 34.95 33.61 1vle s ARG 671 CO 0.53 -0.06 1.66 -0.07 0.02 0.00 0.00 175.30 177.39 1vle h LEU 672 N 3.00 0.50 -0.69 2.53 3.38 -1.99 0.40 115.31 122.44 1vle h LEU 672 Ca -0.48 0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1vle h LEU 672 Cb 1.22 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1vle h LEU 672 CO 0.64 -0.14 0.00 -0.46 0.09 0.00 0.00 178.44 178.57 1vle n ASN 673 N -5.06 0.69 -1.39 -0.43 0.23 -1.26 -2.06 115.26 105.98 1vle n ASN 673 Ca 0.32 0.67 0.10 0.00 -0.53 0.00 0.00 54.58 55.13 1vle n ASN 673 Cb 0.98 -0.81 0.32 0.00 -2.08 0.00 0.00 39.78 38.18 1vle n ASN 673 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1vle n ASN 674 N -2.25 4.06 -4.18 0.53 5.03 0.14 -4.92 115.26 113.67 1vle n ASN 674 Ca 0.02 -2.18 -0.12 0.00 0.87 0.00 0.00 54.58 53.17 1vle n ASN 674 Cb 0.24 -0.51 -0.10 0.00 -1.02 0.00 0.00 39.78 38.39 1vle n ASN 674 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1vle s GLN 675 N -1.41 0.85 -0.37 3.52 -0.21 -0.88 -4.35 119.66 116.82 1vle s GLN 675 Ca 0.47 -1.29 -0.09 0.00 0.02 0.00 0.00 55.36 54.48 1vle s GLN 675 Cb 0.27 -0.34 0.04 0.00 1.00 0.00 0.00 33.01 33.98 1vle s GLN 675 CO 0.28 0.02 0.17 0.08 -2.12 0.00 0.00 175.29 173.72 1vle s VAL 676 N -3.22 4.24 -1.41 1.09 1.01 -1.25 -4.42 120.40 116.43 1vle s VAL 676 Ca 0.10 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1vle s VAL 676 Cb 0.02 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 33.04 1vle s VAL 676 CO -0.03 -0.25 1.07 0.00 0.00 0.00 0.00 175.10 175.89 1vle n ARG 678 N -4.79 -1.72 -4.21 0.00 1.85 -1.26 -4.82 116.66 101.72 1vle n ARG 678 Ca -0.02 0.20 -0.17 0.00 -1.00 0.00 0.00 57.85 56.87 1vle n ARG 678 Cb 0.56 -4.14 -0.11 0.00 -1.05 0.00 0.00 32.46 27.72 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 -7.11 0.92 0.00 2.89 1.02 -1.09 -2.16 119.74 114.21 1vle s LYS 679 Ca 0.20 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 55.04 1vle s LYS 679 Cb -0.11 -0.79 0.00 0.00 -0.52 0.00 0.00 37.83 36.41 1vle s LYS 679 CO 0.97 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.96 1vle n GLY 680 N 0.73 -1.63 3.89 -3.33 0.00 -1.26 -3.76 105.19 99.83 1vle n GLY 680 Ca -0.17 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 1vle n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vle s LEU 681 N -4.42 2.48 0.51 0.99 1.43 0.26 -4.91 118.68 115.02 1vle s LEU 681 Ca 0.00 0.53 0.27 0.00 -1.03 0.00 0.00 54.13 53.90 1vle s LEU 681 Cb 0.00 -2.74 1.38 0.00 0.03 0.00 0.00 46.19 44.86 1vle s LEU 681 CO 0.00 -2.49 2.04 -0.61 0.23 0.00 0.00 176.35 175.53 1vle h GLN 682 N -1.47 0.00 -6.94 1.70 4.15 -1.76 -3.37 115.11 107.41 1vle h GLN 682 Ca -0.45 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.44 1vle h GLN 682 Cb 1.28 0.00 0.21 0.00 0.21 0.00 0.00 27.48 29.18 1vle h GLN 682 CO 0.50 0.13 -0.31 0.25 -1.93 0.00 0.00 178.83 177.47 1vle n THR 683 N -3.63 0.05 0.08 2.39 -2.24 -1.26 -4.84 114.28 104.83 1vle n THR 683 Ca -0.02 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1vle n THR 683 Cb 0.26 -0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 67.68 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 -1.65 0.28 0.00 4.28 2.02 -1.90 -1.46 112.91 114.47 1vle h THR 684 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1vle h THR 684 Cb 1.28 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1vle h THR 684 CO 0.37 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.61 1vle n THR 685 N -5.43 0.84 -1.00 3.16 -2.24 -1.26 -4.85 114.28 103.51 1vle n THR 685 Ca -0.06 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1vle n THR 685 Cb 0.34 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1vle n THR 685 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vle n GLY 686 N 0.09 0.52 3.62 3.38 0.00 -0.55 -4.93 105.19 107.32 1vle n GLY 686 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.13 1.97 -0.36 1.61 1.02 -1.26 -0.57 119.74 122.02 1vle s LYS 687 Ca 0.00 -2.16 -0.29 0.00 0.02 0.00 0.00 55.97 53.54 1vle s LYS 687 Cb 0.00 -1.38 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 1vle s LYS 687 CO 0.00 -0.20 1.40 0.08 -0.92 0.00 0.00 175.35 175.71 1vle s VAL 688 N -2.91 3.96 -0.61 3.17 1.01 -0.20 -4.75 120.40 120.07 1vle s VAL 688 Ca 0.26 1.03 -0.19 0.00 0.00 0.00 0.00 61.98 63.08 1vle s VAL 688 Cb 0.07 -4.14 0.11 0.00 0.00 0.00 0.00 36.38 32.42 1vle s VAL 688 CO 0.13 -0.62 0.72 -1.61 0.00 0.00 0.00 175.10 173.73 1vle s GLU 689 N 4.66 3.07 0.60 2.72 2.02 0.48 -1.25 118.70 131.01 1vle s GLU 689 Ca 0.61 -1.35 0.39 0.00 0.02 0.00 0.00 54.97 54.64 1vle s GLU 689 Cb -0.16 -4.29 1.86 0.00 0.10 0.00 0.00 34.13 31.64 1vle s GLU 689 CO 0.29 -1.55 2.17 0.74 0.02 0.00 0.00 175.26 176.92 1vle h PHE 690 N 9.16 0.00 -3.26 1.61 -1.00 -1.52 -3.14 116.94 118.79 1vle h PHE 690 Ca -0.27 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 0.85 0.01 -0.72 0.42 -1.61 0.00 0.00 178.31 177.26 1vle s ILE 691 N -3.91 1.68 0.03 -0.55 1.01 -1.25 -1.91 121.20 116.30 1vle s ILE 691 Ca -0.02 -2.35 -0.30 0.00 0.00 0.00 0.00 60.65 57.98 1vle s ILE 691 Cb 0.11 -2.21 -0.09 0.00 0.01 0.00 0.00 42.46 40.28 1vle s ILE 691 CO 0.49 -0.76 1.96 0.00 0.00 0.00 0.00 174.94 176.63 1vle s ALA 692 N 0.69 3.57 0.25 9.38 0.00 -0.39 -4.86 121.76 130.39 1vle s ALA 692 Ca 0.14 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.36 1vle s ALA 692 Cb -0.22 -3.85 0.30 0.00 0.00 0.00 0.00 23.12 19.36 1vle s ALA 692 CO -0.08 -1.59 1.78 1.79 0.00 0.00 0.00 175.76 177.67 1vle h THR 693 N 5.66 1.24 -0.32 0.00 1.35 -1.89 -0.58 112.91 118.37 1vle h THR 693 Ca -0.49 -0.89 0.01 0.00 -0.55 0.00 0.00 66.41 64.48 1vle h THR 693 Cb 1.23 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 1vle h THR 693 CO 0.94 0.33 0.20 0.77 -0.25 0.00 0.00 175.52 177.52 1vle h SER 694 N 0.88 0.34 0.21 5.36 4.64 -1.90 -1.32 113.55 121.76 1vle h SER 694 Ca 0.19 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.36 1vle h SER 694 Cb 0.34 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1vle h SER 694 CO 0.00 0.25 -0.52 -0.07 -0.87 0.00 0.00 176.83 175.62 1vle h LEU 695 N 0.41 0.38 -1.01 5.97 3.38 -1.86 -2.02 115.31 120.56 1vle h LEU 695 Ca 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1vle h LEU 695 Cb -0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1vle h LEU 695 CO -0.04 0.84 0.31 0.50 0.09 0.00 0.00 178.44 180.14 1vle h LYS 696 N 0.27 1.01 -0.40 1.13 3.64 -0.78 0.56 116.57 122.02 1vle h LYS 696 Ca 0.01 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1vle h LYS 696 Cb 1.01 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1vle h LYS 696 CO 0.09 0.80 0.13 -0.91 -2.27 0.00 0.00 179.45 177.29 1vle h ASN 697 N 1.00 0.57 -0.32 4.20 -0.26 -0.97 -0.81 115.58 118.99 1vle h ASN 697 Ca 0.24 -0.20 0.02 0.00 -0.56 0.00 0.00 56.30 55.80 1vle h ASN 697 Cb 0.14 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1vle h ASN 697 CO -0.03 0.62 0.17 0.15 -1.06 0.00 0.00 177.43 177.29 1vle h PHE 698 N 0.50 0.32 -0.19 1.19 3.57 -0.62 0.68 116.94 122.38 1vle h PHE 698 Ca 0.13 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 1vle h PHE 698 Cb 0.25 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1vle h PHE 698 CO 0.01 0.18 -0.48 1.05 -2.23 0.00 0.00 178.31 176.84 1vle h GLU 699 N 0.35 0.51 0.00 1.11 4.11 -0.81 -2.12 114.58 117.73 1vle h GLU 699 Ca 0.13 -0.29 -0.06 0.00 0.07 0.00 0.00 59.36 59.21 1vle h GLU 699 Cb 0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1vle h GLU 699 CO -0.08 0.88 -0.28 0.93 0.07 0.00 0.00 179.01 180.53 1vle h GLU 700 N 0.40 0.00 0.00 1.06 5.08 -0.78 0.60 114.58 120.94 1vle h GLU 700 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1vle h GLU 700 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1vle h GLU 700 CO 0.09 0.28 0.00 1.04 -1.00 0.00 0.00 179.01 179.42 1vle n GLN 701 N -3.90 0.75 -0.12 2.33 6.02 0.20 -4.86 117.38 117.79 1vle n GLN 701 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1vle n GLN 701 Cb 0.36 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.16 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 0.49 0.64 3.03 1.08 0.00 0.20 -5.02 105.19 105.61 1vle n GLY 702 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.03 3.41 -2.18 1.61 4.02 -0.84 -4.98 117.16 116.17 1vle n TYR 703 Ca 0.00 -2.93 -0.42 0.00 -0.01 0.00 0.00 57.90 54.54 1vle n TYR 703 Cb 0.00 -1.94 -0.03 0.00 -0.02 0.00 0.00 39.34 37.35 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 0.37 3.73 -0.32 -0.72 -1.09 -1.26 -4.30 121.20 117.61 1vle s ILE 704 Ca 0.39 1.03 -0.02 0.00 -2.23 0.00 0.00 60.65 59.82 1vle s ILE 704 Cb 0.06 -3.66 0.11 0.00 -1.58 0.00 0.00 42.46 37.39 1vle s ILE 704 CO 0.01 -0.04 0.15 -0.62 -1.23 0.00 0.00 174.94 173.21 1vle s ASP 705 N 2.33 3.48 0.35 3.58 -1.08 -1.26 -5.01 116.67 119.06 1vle s ASP 705 Ca 0.65 -1.63 0.10 0.00 -0.52 0.00 0.00 52.55 51.16 1vle s ASP 705 Cb -0.31 -0.48 0.86 0.00 -1.46 0.00 0.00 42.92 41.53 1vle s ASP 705 CO 0.26 -0.40 1.84 -0.08 0.52 0.00 0.00 175.17 177.31 1vle h GLU 706 N 7.93 0.63 -0.68 4.34 4.81 -2.02 -1.65 114.58 127.94 1vle h GLU 706 Ca -0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1vle h GLU 706 Cb 1.00 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1vle h GLU 706 CO 0.40 0.42 0.00 0.72 -0.73 0.00 0.00 179.01 179.82 1vle n HIS 707 N -4.61 0.68 -2.88 0.92 8.25 -1.26 -4.13 115.22 112.20 1vle n HIS 707 Ca 0.20 -0.25 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 1vle n HIS 707 Cb 0.56 -0.18 0.03 0.00 1.12 0.00 0.00 29.99 31.52 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 0.27 0.87 -2.33 -0.41 0.63 -0.62 -4.77 116.66 110.31 1vle n ARG 708 Ca 0.10 -2.27 -0.35 0.00 -0.92 0.00 0.00 57.85 54.41 1vle n ARG 708 Cb 0.51 -1.32 -0.01 0.00 0.45 0.00 0.00 32.46 32.09 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 -0.18 3.57 0.35 -0.14 0.04 -1.24 -4.78 135.00 132.61 1vle s PRO 709 Ca 0.30 1.60 0.05 0.00 0.04 0.00 0.00 61.00 63.00 1vle s PRO 709 Cb 0.26 -2.14 0.70 0.00 0.04 0.00 0.00 34.50 33.36 1vle s PRO 709 CO -0.14 -0.67 1.93 0.66 0.04 0.00 0.00 177.00 178.82 1vle h SER 710 N 1.53 0.72 -3.18 6.66 4.64 -1.90 -3.40 113.55 118.63 1vle h SER 710 Ca -0.50 0.01 -0.59 0.00 -0.47 0.00 0.00 61.79 60.24 1vle h SER 710 Cb 1.25 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 63.13 1vle h SER 710 CO 0.58 0.45 -0.16 -0.32 -0.87 0.00 0.00 176.83 176.51 1vle s MET 711 N -5.73 4.13 -0.18 4.77 -2.45 -1.26 -1.26 119.30 117.32 1vle s MET 711 Ca -0.10 0.45 -0.29 0.00 -1.25 0.00 0.00 55.69 54.50 1vle s MET 711 Cb 0.20 -3.32 -0.04 0.00 1.25 0.00 0.00 34.83 32.92 1vle s MET 711 CO 0.78 0.46 1.77 -1.58 1.05 0.00 0.00 175.02 177.50 1vle s HIS 712 N -0.35 1.82 0.35 4.11 2.46 -0.80 -4.94 115.29 117.93 1vle s HIS 712 Ca 0.25 0.38 0.06 0.00 0.47 0.00 0.00 55.06 56.22 1vle s HIS 712 Cb -0.16 -4.02 -0.03 0.00 -0.13 0.00 0.00 32.58 28.24 1vle s HIS 712 CO 0.12 -3.55 0.22 0.95 -2.47 0.00 0.00 174.74 170.02 1vle s THR 713 N 5.61 0.19 -1.16 0.89 -4.23 -1.26 -5.04 115.64 110.64 1vle s THR 713 Ca 0.79 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 59.14 1vle s THR 713 Cb -0.29 -2.45 0.14 0.00 1.34 0.00 0.00 72.50 71.24 1vle s THR 713 CO 0.32 0.00 1.44 -0.47 -0.54 0.00 0.00 174.62 175.37 1vle s TYR 714 N -3.42 3.23 -0.33 3.99 5.04 -1.26 -4.89 117.35 119.70 1vle s TYR 714 Ca 0.35 -1.81 -0.25 0.00 -2.44 0.00 0.00 57.07 52.92 1vle s TYR 714 Cb 0.03 -4.42 0.01 0.00 0.35 0.00 0.00 41.96 37.93 1vle s TYR 714 CO 0.22 -1.53 0.87 0.08 -1.34 0.00 0.00 175.55 173.85 1vle s VAL 715 N 2.52 4.69 0.22 3.14 1.01 -1.26 -4.99 120.40 125.73 1vle s VAL 715 Ca 0.43 1.23 -0.32 0.00 0.00 0.00 0.00 61.98 63.32 1vle s VAL 715 Cb -0.02 -4.24 -0.13 0.00 0.00 0.00 0.00 36.38 31.99 1vle s VAL 715 CO -0.01 -0.38 1.53 -2.65 0.00 0.00 0.00 175.10 173.59 1vle n PRO 716 N 6.48 2.27 -1.86 2.72 -0.02 -1.26 -4.88 135.00 138.45 1vle n PRO 716 Ca 0.06 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 1vle n PRO 716 Cb 0.48 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1vle n PRO 716 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vle s ALA 717 N 0.41 3.68 -0.37 3.55 0.00 -1.26 -4.86 121.76 122.90 1vle s ALA 717 Ca 0.72 1.24 0.18 0.00 0.00 0.00 0.00 51.96 54.10 1vle s ALA 717 Cb -0.62 -3.73 0.95 0.00 0.00 0.00 0.00 23.12 19.72 1vle s ALA 717 CO 0.44 -1.22 1.55 -2.67 0.00 0.00 0.00 175.76 173.86 1vle n TRP 718 N 6.02 0.60 -3.33 0.00 4.27 -1.26 -2.75 117.44 120.98 1vle n TRP 718 Ca 0.17 0.31 -0.26 0.00 -3.89 0.00 0.00 57.50 53.83 1vle n TRP 718 Cb 0.40 -0.99 -0.08 0.00 -1.36 0.00 0.00 31.31 29.29 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 -2.12 1.79 -4.31 -2.67 4.07 -1.26 -4.43 120.64 111.73 1vle n GLU 719 Ca -0.01 -4.09 -0.17 0.00 -0.06 0.00 0.00 57.16 52.83 1vle n GLU 719 Cb 0.05 -1.84 -0.10 0.00 -0.06 0.00 0.00 31.44 29.49 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 -1.95 2.20 0.39 4.31 1.04 -1.11 -4.48 113.70 114.10 1vle s SER 720 Ca 0.38 -1.03 0.09 0.00 0.48 0.00 0.00 55.95 55.86 1vle s SER 720 Cb 0.16 -0.07 0.79 0.00 0.10 0.00 0.00 66.02 66.99 1vle s SER 720 CO -0.05 -0.27 1.94 1.56 0.98 0.00 0.00 173.24 177.40 1vle h GLN 721 N 2.64 0.30 0.00 4.02 4.20 -1.91 -2.33 115.11 122.03 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 0.38 -1.01 0.36 -0.67 0.00 0.00 178.83 178.52 1vle n LYS 722 N -4.31 0.58 -0.01 1.46 2.85 -1.26 -4.58 118.16 112.89 1vle n LYS 722 Ca -0.00 -0.02 0.04 0.00 -1.05 0.00 0.00 58.31 57.28 1vle n LYS 722 Cb 0.23 -1.42 -0.07 0.00 -0.65 0.00 0.00 35.03 33.12 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 -1.53 0.00 -3.17 5.58 8.25 -1.22 -5.00 115.22 118.14 1vle n HIS 723 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 1vle n HIS 723 Cb 0.32 -0.22 -0.05 0.00 1.12 0.00 0.00 29.99 31.16 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 -3.11 6.89 0.62 0.41 0.15 -0.88 -4.93 113.70 112.85 1vle s SER 724 Ca -0.03 1.07 0.34 0.00 0.70 0.00 0.00 55.95 58.03 1vle s SER 724 Cb 0.05 -2.36 1.96 0.00 -1.71 0.00 0.00 66.02 63.97 1vle s SER 724 CO 0.36 -0.02 2.23 -0.65 1.20 0.00 0.00 173.24 176.36 1vle h PRO 725 N 6.45 0.00 0.00 5.44 0.11 -1.88 -1.28 132.00 140.83 1vle h PRO 725 Ca -0.42 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.60 1vle h PRO 725 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1vle h PRO 725 CO 0.74 0.00 -0.43 -0.07 -0.21 0.00 0.00 178.00 178.03 1vle h LEU 726 N 0.00 0.00 -1.91 2.35 4.07 -1.92 -3.20 115.31 114.71 1vle h LEU 726 Ca 0.02 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.16 1vle h LEU 726 Cb 0.18 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 1vle h LEU 726 CO -0.00 0.43 0.47 0.00 -1.08 0.00 0.00 178.44 178.25 1vle h ALA 727 N 1.57 2.50 -0.98 1.53 0.00 -1.39 -0.24 119.26 122.25 1vle h ALA 727 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1vle h ALA 727 Cb 0.77 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1vle h ALA 727 CO 0.06 -0.68 0.64 0.28 0.00 0.00 0.00 179.25 179.54 1vle h VAL 728 N 0.09 1.20 0.11 0.00 2.07 -1.75 -2.74 116.25 115.24 1vle h VAL 728 Ca 0.32 -0.44 -0.31 0.00 0.82 0.00 0.00 66.70 67.09 1vle h VAL 728 Cb 1.14 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1vle h VAL 728 CO -0.03 0.23 -1.64 0.11 0.02 0.00 0.00 177.57 176.26 1vle h LYS 729 N 1.27 0.23 -3.44 1.57 1.57 -1.52 -3.42 116.57 112.83 1vle h LYS 729 Ca 0.38 -0.40 -0.68 0.00 -1.87 0.00 0.00 60.65 58.08 1vle h LYS 729 Cb -0.06 0.15 -0.37 0.00 0.08 0.00 0.00 32.23 32.03 1vle h LYS 729 CO -0.11 1.19 -0.39 0.71 -0.57 0.00 0.00 179.45 180.29 1vle s TYR 730 N -2.50 3.45 -0.11 -1.35 2.02 -0.20 -4.82 117.35 113.84 1vle s TYR 730 Ca -0.22 -2.91 0.30 0.00 -0.37 0.00 0.00 57.07 53.87 1vle s TYR 730 Cb 0.06 -3.09 1.20 0.00 -0.40 0.00 0.00 41.96 39.73 1vle s TYR 730 CO 0.75 -0.78 1.89 -1.00 -1.57 0.00 0.00 175.55 174.84 1vle h PRO 731 N 6.60 0.00 -5.82 -1.71 0.13 -1.51 -3.36 132.00 126.33 1vle h PRO 731 Ca 0.02 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.57 1vle h PRO 731 Cb 0.90 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.96 1vle h PRO 731 CO 0.73 0.00 -0.12 -0.51 -0.23 0.00 0.00 178.00 177.87 1vle s LEU 732 N -5.64 4.32 -0.22 1.56 1.43 -0.44 -4.94 118.68 114.75 1vle s LEU 732 Ca 0.03 0.89 -0.18 0.00 -1.03 0.00 0.00 54.13 53.83 1vle s LEU 732 Cb 0.09 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1vle s LEU 732 CO 0.51 0.04 0.51 -0.83 0.23 0.00 0.00 176.35 176.81 1vle s GLY 733 N 0.35 2.01 -0.09 -3.19 0.00 -0.46 -1.06 107.32 104.87 1vle s GLY 733 Ca 0.27 -0.47 0.02 0.00 0.00 0.00 0.00 44.72 44.54 1vle s GLY 733 CO 0.12 1.10 -0.14 -0.29 0.00 0.00 0.00 173.10 173.89 1vle s MET 734 N 1.80 2.90 0.06 2.90 1.75 0.31 -0.99 119.30 128.04 1vle s MET 734 Ca 0.23 -0.70 0.08 0.00 -1.25 0.00 0.00 55.69 54.05 1vle s MET 734 Cb -0.15 -2.49 -0.03 0.00 2.84 0.00 0.00 34.83 35.00 1vle s MET 734 CO 0.09 0.43 -0.20 -0.48 -0.65 0.00 0.00 175.02 174.21 1vle s LEU 735 N -0.23 2.52 -0.41 4.11 2.34 -1.13 -2.27 118.68 123.61 1vle s LEU 735 Ca 0.01 -0.51 0.07 0.00 0.06 0.00 0.00 54.13 53.76 1vle s LEU 735 Cb -0.13 -1.45 0.24 0.00 -0.56 0.00 0.00 46.19 44.29 1vle s LEU 735 CO 0.03 0.23 0.51 -1.54 -1.06 0.00 0.00 176.35 174.52 1vle n SER 736 N 1.39 0.27 -3.11 1.48 3.41 -1.26 -2.80 113.62 113.01 1vle n SER 736 Ca -0.16 -2.69 -0.07 0.00 -0.26 0.00 0.00 58.87 55.69 1vle n SER 736 Cb 0.52 -0.63 0.07 0.00 -0.26 0.00 0.00 64.21 63.91 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 1.57 -1.67 -2.78 4.33 -0.02 -1.26 -3.54 135.00 131.63 1vle n PRO 737 Ca 0.23 -0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 60.97 1vle n PRO 737 Cb 0.52 -0.51 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 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 -1.15 3.88 0.13 6.00 3.76 -1.26 -1.41 115.29 125.24 1vle s HIS 738 Ca 0.15 1.81 -0.35 0.00 -0.15 0.00 0.00 55.06 56.52 1vle s HIS 738 Cb -0.03 -2.98 -0.15 0.00 1.11 0.00 0.00 32.58 30.53 1vle s HIS 738 CO 0.13 0.34 1.41 -0.35 -0.85 0.00 0.00 174.74 175.42 1vle n PRO 739 N 2.17 1.55 -0.10 8.40 -0.04 -1.26 -4.87 135.00 140.85 1vle n PRO 739 Ca -0.00 0.56 -0.11 0.00 -0.04 0.00 0.00 63.50 63.90 1vle n PRO 739 Cb 0.48 -2.23 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 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 4.90 0.55 -0.89 0.54 9.65 -1.93 -3.30 114.38 123.90 1vle h ARG 740 Ca -0.46 -0.19 -0.53 0.00 -1.10 0.00 0.00 59.98 57.69 1vle h ARG 740 Cb 1.30 -0.04 -0.28 0.00 -1.39 0.00 0.00 29.97 29.56 1vle h ARG 740 CO 0.81 0.72 0.52 1.19 2.80 0.00 0.00 179.97 186.00 1vle n PHE 741 N -4.53 2.82 -3.61 2.20 3.01 -1.26 -4.85 117.46 111.24 1vle n PHE 741 Ca -0.03 -2.29 -0.09 0.00 1.01 0.00 0.00 57.45 56.05 1vle n PHE 741 Cb 0.28 -1.03 -0.06 0.00 -0.01 0.00 0.00 39.48 38.67 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 -1.86 -0.39 -1.06 4.37 0.15 -1.24 -4.37 113.70 109.30 1vle s SER 742 Ca 0.58 0.60 -0.18 0.00 0.70 0.00 0.00 55.95 57.65 1vle s SER 742 Cb 0.48 0.56 0.12 0.00 -1.71 0.00 0.00 66.02 65.46 1vle s SER 742 CO 0.04 -0.23 1.33 -0.32 1.20 0.00 0.00 173.24 175.26 1vle s MET 743 N -0.43 3.76 7.39 5.44 1.75 -1.07 -4.46 119.30 131.67 1vle s MET 743 Ca 0.01 -1.86 0.00 0.00 -1.25 0.00 0.00 55.69 52.59 1vle s MET 743 Cb -0.03 -5.11 0.00 0.00 2.84 0.00 0.00 34.83 32.53 1vle s MET 743 CO -0.03 -1.91 0.00 0.72 -0.65 0.00 0.00 175.02 173.15 1vle n HIS 744 N 7.00 0.00 0.45 4.11 8.25 -1.26 -1.23 115.22 132.54 1vle n HIS 744 Ca 0.32 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.91 1vle n HIS 744 Cb 0.48 0.00 0.40 0.00 1.12 0.00 0.00 29.99 31.99 1vle n HIS 744 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1vle h THR 745 N 0.00 0.00 -0.95 1.59 1.35 -1.88 -3.41 112.91 109.61 1vle h THR 745 Ca 0.00 -0.54 -0.66 0.00 -0.55 0.00 0.00 66.41 64.65 1vle h THR 745 Cb 0.00 1.49 -0.09 0.00 -1.73 0.00 0.00 68.15 67.82 1vle h THR 745 CO 0.00 0.00 2.02 -0.04 -0.25 0.00 0.00 175.52 177.25 1vle s MET 746 N -3.23 3.89 0.00 4.72 -1.94 -0.37 -3.30 119.30 119.07 1vle s MET 746 Ca 0.08 -1.80 0.00 0.00 -1.71 0.00 0.00 55.69 52.26 1vle s MET 746 Cb 0.10 -5.49 0.00 0.00 2.01 0.00 0.00 34.83 31.45 1vle s MET 746 CO 0.56 -2.24 0.00 0.41 -0.01 0.00 0.00 175.02 173.75 1vle n GLY 747 N 5.74 2.38 3.87 -0.03 0.00 -1.26 -2.61 105.19 113.28 1vle n GLY 747 Ca 0.45 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1vle n GLY 747 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vle s ASP 748 N 0.00 6.19 0.92 1.61 2.15 -1.21 -4.64 116.67 121.68 1vle s ASP 748 Ca 0.00 1.39 0.00 0.00 0.43 0.00 0.00 52.55 54.37 1vle s ASP 748 Cb 0.00 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1vle s ASP 748 CO 0.00 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.72 1vle n GLY 749 N -2.75 1.02 2.58 2.66 0.00 -1.26 -4.73 105.19 102.71 1vle n GLY 749 Ca 0.06 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -1.64 -3.11 1.61 5.02 -1.26 -1.46 118.16 117.32 1vle n LYS 750 Ca 0.00 0.82 -0.21 0.00 -2.02 0.00 0.00 58.31 56.90 1vle n LYS 750 Cb 0.00 -5.12 0.01 0.00 -0.02 0.00 0.00 35.03 29.90 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 -0.83 -4.52 -4.87 4.39 5.15 -1.26 -4.41 115.26 108.91 1vle n ASN 751 Ca -0.11 -0.27 -0.30 0.00 -0.60 0.00 0.00 54.58 53.30 1vle n ASN 751 Cb 0.53 -3.71 0.07 0.00 -0.53 0.00 0.00 39.78 36.14 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 -2.61 4.92 0.38 1.20 1.04 -0.53 -4.93 113.70 113.17 1vle s SER 752 Ca 0.31 1.03 0.09 0.00 0.48 0.00 0.00 55.95 57.85 1vle s SER 752 Cb -0.15 -1.71 0.75 0.00 0.10 0.00 0.00 66.02 65.01 1vle s SER 752 CO 0.38 -1.66 1.90 1.88 0.98 0.00 0.00 173.24 176.72 1vle h TYR 753 N -0.88 0.29 -0.06 5.02 0.05 -1.86 -2.73 116.97 116.80 1vle h TYR 753 Ca -0.46 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.31 1vle h TYR 753 Cb 1.28 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.94 1vle h TYR 753 CO 0.42 0.40 0.16 0.52 -1.05 0.00 0.00 178.16 178.61 1vle h MET 754 N 0.26 0.00 0.00 4.88 2.86 -1.87 -1.31 114.93 119.75 1vle h MET 754 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 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 0.09 1.06 0.00 0.00 176.91 178.08 1vle n ASN 755 N -3.27 0.35 -0.33 1.22 3.02 -1.03 -2.12 115.26 113.10 1vle n ASN 755 Ca -0.01 0.60 0.12 0.00 -0.03 0.00 0.00 54.58 55.25 1vle n ASN 755 Cb 0.24 -0.67 0.19 0.00 -0.61 0.00 0.00 39.78 38.93 1vle n ASN 755 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1vle n TYR 756 N -1.89 0.00 -1.97 3.10 4.02 -0.49 -4.45 117.16 115.47 1vle n TYR 756 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1vle n TYR 756 Cb 0.18 -0.07 -0.03 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 -2.54 3.11 0.23 -0.72 1.01 -0.90 -4.90 121.20 116.49 1vle s ILE 757 Ca 0.20 0.57 -0.08 0.00 0.00 0.00 0.00 60.65 61.35 1vle s ILE 757 Cb 0.18 -3.37 0.24 0.00 0.01 0.00 0.00 42.46 39.53 1vle s ILE 757 CO 0.57 0.00 1.65 0.11 0.00 0.00 0.00 174.94 177.27 1vle h LYS 758 N 8.14 0.13 -0.93 2.79 1.57 -1.90 -1.42 116.57 124.94 1vle h LYS 758 Ca -0.42 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.13 1vle h LYS 758 Cb 1.20 -0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.35 1vle h LYS 758 CO 0.92 0.09 0.29 -3.47 -0.57 0.00 0.00 179.45 176.70 1vle n ASP 759 N -5.29 3.57 0.02 0.86 2.03 -1.26 -4.13 116.55 112.35 1vle n ASP 759 Ca 0.12 -2.86 -0.02 0.00 0.52 0.00 0.00 54.79 52.56 1vle n ASP 759 Cb 0.43 -0.68 -0.01 0.00 -0.72 0.00 0.00 41.12 40.14 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 -0.25 0.00 -3.95 -0.67 -0.00 -0.55 -4.94 115.22 104.86 1vle n HIS 760 Ca 0.31 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.39 1vle n HIS 760 Cb 1.10 -0.07 -0.11 0.00 -0.12 0.00 0.00 29.99 30.80 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 -2.07 0.33 -0.17 1.57 0.52 -1.14 -3.85 118.95 114.14 1vle s ARG 761 Ca -0.03 -0.52 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 1vle s ARG 761 Cb 0.01 0.12 0.01 0.00 0.52 0.00 0.00 34.95 35.61 1vle s ARG 761 CO 0.04 -0.06 -0.18 0.08 0.02 0.00 0.00 175.30 175.21 1vle s VAL 762 N -1.34 2.34 -0.01 3.52 1.01 -0.23 -4.59 120.40 121.11 1vle s VAL 762 Ca -0.15 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 1vle s VAL 762 Cb -0.09 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1vle s VAL 762 CO -0.00 0.52 1.04 -0.70 0.00 0.00 0.00 175.10 175.96 1vle s GLU 763 N 1.12 4.50 -0.13 2.72 2.12 -1.26 -1.24 118.70 126.53 1vle s GLU 763 Ca 0.01 1.51 -0.04 0.00 0.36 0.00 0.00 54.97 56.80 1vle s GLU 763 Cb -0.14 -3.46 0.05 0.00 0.26 0.00 0.00 34.13 30.84 1vle s GLU 763 CO -0.07 -0.16 0.08 0.08 -0.54 0.00 0.00 175.26 174.65 1vle s VAL 764 N 1.25 -0.05 -1.32 3.70 1.01 0.56 -4.86 120.40 120.68 1vle s VAL 764 Ca 0.53 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 1vle s VAL 764 Cb -0.23 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1vle s VAL 764 CO 0.26 -0.14 0.94 0.47 0.00 0.00 0.00 175.10 176.63 1vle n ASP 765 N 5.27 -3.12 0.00 3.32 8.00 -1.26 -2.35 116.55 126.41 1vle n ASP 765 Ca -0.06 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1vle n ASP 765 Cb 0.49 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 37.03 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 2.52 3.49 0.44 0.00 -1.26 -5.02 105.19 103.81 1vle n GLY 766 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.99 2.86 -0.51 1.61 5.04 -0.99 -5.08 117.35 117.29 1vle s TYR 767 Ca 0.00 -0.24 -0.19 0.00 -2.44 0.00 0.00 57.07 54.20 1vle s TYR 767 Cb 0.00 -1.76 0.06 0.00 0.35 0.00 0.00 41.96 40.61 1vle s TYR 767 CO 0.00 0.10 0.63 0.15 -1.34 0.00 0.00 175.55 175.09 1vle s LYS 768 N -0.32 3.12 0.24 4.97 1.02 -1.26 -0.33 119.74 127.18 1vle s LYS 768 Ca 0.04 -0.92 -0.11 0.00 0.02 0.00 0.00 55.97 55.00 1vle s LYS 768 Cb -0.13 -4.11 -0.08 0.00 -0.52 0.00 0.00 37.83 33.00 1vle s LYS 768 CO 0.02 -1.24 0.59 0.71 -0.92 0.00 0.00 175.35 174.52 1vle s TYR 769 N 2.62 3.44 0.59 3.18 1.51 -0.37 -4.78 117.35 123.54 1vle s TYR 769 Ca 0.15 0.97 -0.18 0.00 -1.01 0.00 0.00 57.07 56.99 1vle s TYR 769 Cb -0.20 -2.33 -0.03 0.00 -0.11 0.00 0.00 41.96 39.29 1vle s TYR 769 CO 0.12 0.26 1.15 -0.46 -1.11 0.00 0.00 175.55 175.50 1vle s TRP 770 N -1.80 2.56 0.03 2.71 -0.11 -1.26 -1.07 118.94 119.99 1vle s TRP 770 Ca 0.47 1.54 -0.07 0.00 1.22 0.00 0.00 56.10 59.27 1vle s TRP 770 Cb -0.12 -3.31 -0.05 0.00 -1.50 0.00 0.00 33.47 28.49 1vle s TRP 770 CO 0.20 -1.80 0.29 0.42 -4.62 0.00 0.00 176.95 171.44 1vle s ILE 771 N -1.88 5.27 -0.07 5.86 1.01 -1.25 -0.32 121.20 129.82 1vle s ILE 771 Ca 0.72 0.18 -0.00 0.00 0.00 0.00 0.00 60.65 61.55 1vle s ILE 771 Cb -0.25 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.67 1vle s ILE 771 CO 0.33 0.33 -0.03 -0.32 0.00 0.00 0.00 174.94 175.25 1vle s MET 772 N -1.85 0.86 0.01 2.79 -2.45 -0.69 -4.43 119.30 113.53 1vle s MET 772 Ca 0.29 -0.04 -0.22 0.00 -1.25 0.00 0.00 55.69 54.47 1vle s MET 772 Cb -0.13 -1.02 -0.05 0.00 1.25 0.00 0.00 34.83 34.87 1vle s MET 772 CO 0.17 -0.20 0.66 1.03 1.05 0.00 0.00 175.02 177.72 1vle s ARG 773 N 1.49 4.38 -0.02 4.11 0.52 0.19 -1.16 118.95 128.47 1vle s ARG 773 Ca -0.02 0.85 0.02 0.00 -0.52 0.00 0.00 55.73 56.07 1vle s ARG 773 Cb -0.13 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 31.99 1vle s ARG 773 CO -0.03 0.33 -0.08 0.08 0.02 0.00 0.00 175.30 175.62 1vle s VAL 774 N -0.12 0.68 0.23 3.52 1.01 -0.27 -1.91 120.40 123.54 1vle s VAL 774 Ca 0.34 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1vle s VAL 774 Cb -0.19 -0.61 -0.09 0.00 0.00 0.00 0.00 36.38 35.48 1vle s VAL 774 CO 0.19 0.22 1.35 0.21 0.00 0.00 0.00 175.10 177.07 1vle s ASN 775 N 0.19 6.82 0.38 3.32 3.84 -1.25 -0.23 114.94 128.01 1vle s ASN 775 Ca -0.03 2.51 0.20 0.00 0.21 0.00 0.00 52.86 55.75 1vle s ASN 775 Cb -0.08 -2.62 1.19 0.00 -0.55 0.00 0.00 41.25 39.19 1vle s ASN 775 CO 0.00 -0.58 1.68 0.77 -2.79 0.00 0.00 177.10 176.19 1vle h SER 776 N 5.09 0.42 -0.15 -4.21 4.64 -1.78 0.39 113.55 117.95 1vle h SER 776 Ca -0.45 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 1vle h SER 776 Cb 1.22 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1vle h SER 776 CO 0.76 -0.09 0.03 0.40 -0.87 0.00 0.00 176.83 177.07 1vle h ILE 777 N 0.28 1.21 -0.42 0.95 2.04 -1.90 0.80 117.51 120.48 1vle h ILE 777 Ca 0.72 -0.67 -0.10 0.00 1.00 0.00 0.00 64.86 65.82 1vle h ILE 777 Cb 1.89 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 39.32 1vle h ILE 777 CO -0.46 0.20 -0.13 0.44 0.00 0.00 0.00 178.15 178.20 1vle h ASP 778 N 0.04 0.75 0.35 1.72 3.32 -1.39 -1.84 116.42 119.37 1vle h ASP 778 Ca 0.05 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1vle h ASP 778 Cb 0.28 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1vle h ASP 778 CO 0.00 0.90 -0.17 0.00 -1.72 0.00 0.00 179.24 178.25 1vle h ALA 779 N 1.17 -0.48 -0.57 3.45 0.00 -0.84 -3.01 119.26 118.98 1vle h ALA 779 Ca 0.11 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1vle h ALA 779 Cb 0.61 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1vle h ALA 779 CO 0.04 -0.69 0.18 1.49 0.00 0.00 0.00 179.25 180.27 1vle h GLU 780 N -0.63 0.33 0.00 0.00 4.22 -0.76 0.38 114.58 118.11 1vle h GLU 780 Ca -0.05 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1vle h GLU 780 Cb 0.46 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1vle h GLU 780 CO 0.08 0.22 0.00 0.00 -2.18 0.00 0.00 179.01 177.13 1vle h ALA 781 N 1.42 1.00 -0.12 2.92 0.00 -1.27 -1.43 119.26 121.78 1vle h ALA 781 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1vle h ALA 781 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1vle h ALA 781 CO -0.33 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.46 1vle n ARG 782 N -2.52 1.55 -2.21 0.00 1.74 -0.06 -4.98 116.66 110.18 1vle n ARG 782 Ca -0.02 -1.40 -0.12 0.00 -0.77 0.00 0.00 57.85 55.54 1vle n ARG 782 Cb 0.06 -1.15 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.23 -0.09 3.71 -0.13 0.00 -0.54 -4.66 105.19 103.71 1vle n GLY 783 Ca 0.06 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.59 5.39 0.18 -0.61 1.01 -0.14 -4.95 121.20 119.50 1vle s ILE 784 Ca 0.00 0.21 0.09 0.00 0.00 0.00 0.00 60.65 60.95 1vle s ILE 784 Cb 0.00 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1vle s ILE 784 CO 0.00 0.41 -0.13 -0.54 0.00 0.00 0.00 174.94 174.68 1vle s LYS 785 N 0.57 1.94 -0.15 2.79 1.02 -1.26 -4.17 119.74 120.48 1vle s LYS 785 Ca 0.08 -1.33 -0.38 0.00 0.02 0.00 0.00 55.97 54.37 1vle s LYS 785 Cb -0.12 -2.09 -0.15 0.00 -0.52 0.00 0.00 37.83 34.95 1vle s LYS 785 CO 0.00 0.43 1.68 -1.71 -0.92 0.00 0.00 175.35 174.83 1vle n ASN 786 N 0.08 2.47 0.00 2.83 4.05 -1.26 -0.96 115.26 122.47 1vle n ASN 786 Ca -0.11 1.07 0.00 0.00 0.45 0.00 0.00 54.58 55.98 1vle n ASN 786 Cb 0.56 -1.20 0.00 0.00 1.23 0.00 0.00 39.78 40.36 1vle n ASN 786 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vle n GLY 787 N 3.88 1.59 3.76 8.20 0.00 0.76 -4.99 105.19 118.38 1vle n GLY 787 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 1vle n GLY 787 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vle s ASP 788 N -1.57 5.67 -0.09 1.61 1.01 -0.13 -4.54 116.67 118.64 1vle s ASP 788 Ca 0.00 2.65 -0.27 0.00 0.71 0.00 0.00 52.55 55.64 1vle s ASP 788 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1vle s ASP 788 CO 0.00 -1.29 0.88 -0.76 0.21 0.00 0.00 175.17 174.21 1vle s LEU 789 N -3.20 4.27 0.25 1.23 1.43 -1.26 -0.53 118.68 120.87 1vle s LEU 789 Ca 0.67 1.37 0.10 0.00 -1.03 0.00 0.00 54.13 55.24 1vle s LEU 789 Cb -0.37 -3.35 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 1vle s LEU 789 CO 0.45 -0.31 -0.16 0.27 0.23 0.00 0.00 176.35 176.83 1vle s ILE 790 N 1.52 2.08 -0.25 -0.59 -4.36 0.22 -1.26 121.20 118.56 1vle s ILE 790 Ca 0.44 -2.30 -0.02 0.00 -0.26 0.00 0.00 60.65 58.51 1vle s ILE 790 Cb -0.18 -2.21 0.03 0.00 1.25 0.00 0.00 42.46 41.35 1vle s ILE 790 CO 0.19 -0.48 -0.06 -0.60 0.24 0.00 0.00 174.94 174.23 1vle s ARG 791 N -3.59 2.81 -0.14 0.37 3.52 0.41 0.05 118.95 122.39 1vle s ARG 791 Ca 0.27 -1.00 -0.10 0.00 -0.13 0.00 0.00 55.73 54.78 1vle s ARG 791 Cb -0.02 -3.00 -0.05 0.00 -1.56 0.00 0.00 34.95 30.33 1vle s ARG 791 CO 0.11 -0.41 0.18 0.00 -0.81 0.00 0.00 175.30 174.37 1vle s ALA 792 N 1.32 3.77 0.24 6.12 0.00 -0.47 -2.43 121.76 130.31 1vle s ALA 792 Ca -0.00 -0.59 -0.21 0.00 0.00 0.00 0.00 51.96 51.16 1vle s ALA 792 Cb -0.17 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 20.86 1vle s ALA 792 CO -0.04 0.40 0.66 1.52 0.00 0.00 0.00 175.76 178.30 1vle s TYR 793 N -0.44 -0.23 0.00 0.00 -0.85 -0.54 -1.43 117.35 113.87 1vle s TYR 793 Ca 0.14 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 1vle s TYR 793 Cb -0.12 0.62 0.00 0.00 0.38 0.00 0.00 41.96 42.83 1vle s TYR 793 CO 0.03 -1.11 0.00 0.27 -1.52 0.00 0.00 175.55 173.22 1vle n ASN 794 N -0.43 0.00 0.21 -0.18 0.23 -1.11 -1.63 115.26 112.35 1vle n ASN 794 Ca -0.07 -0.70 0.12 0.00 -0.53 0.00 0.00 54.58 53.41 1vle n ASN 794 Cb 0.61 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 39.02 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 1.63 0.53 3.32 -1.95 -2.97 116.42 116.98 1vle h ASP 795 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1vle h ASP 795 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1vle h ASP 795 CO 0.00 0.00 -0.05 0.03 -1.72 0.00 0.00 179.24 177.50 1vle h ARG 796 N 0.00 0.00 0.00 3.56 3.08 -1.90 -3.49 114.38 115.63 1vle h ARG 796 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1vle h ARG 796 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1vle h ARG 796 CO -0.00 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 1vle n GLY 797 N 0.76 -1.62 3.02 0.04 0.00 -1.12 -4.77 105.19 101.50 1vle n GLY 797 Ca 0.03 -1.24 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 1vle n GLY 797 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vle s SER 798 N -3.39 1.01 -0.05 1.61 0.01 -1.26 -2.76 113.70 108.87 1vle s SER 798 Ca 0.00 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1vle s SER 798 Cb 0.00 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.16 1vle s SER 798 CO 0.00 0.07 -0.03 -0.69 0.41 0.00 0.00 173.24 173.01 1vle s VAL 799 N -0.33 0.43 -0.12 3.43 1.01 -0.51 -1.46 120.40 122.84 1vle s VAL 799 Ca 0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 1vle s VAL 799 Cb -0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1vle s VAL 799 CO -0.00 0.21 0.61 -0.63 0.00 0.00 0.00 175.10 175.29 1vle s ILE 800 N 1.14 5.08 0.20 2.22 -1.09 0.04 -1.37 121.20 127.42 1vle s ILE 800 Ca -0.08 1.21 -0.00 0.00 -2.23 0.00 0.00 60.65 59.56 1vle s ILE 800 Cb -0.14 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1vle s ILE 800 CO -0.01 0.23 0.09 -0.76 -1.23 0.00 0.00 174.94 173.25 1vle s LEU 801 N 1.11 1.53 -0.22 2.97 1.43 0.11 -4.58 118.68 121.03 1vle s LEU 801 Ca 0.31 -1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 51.97 1vle s LEU 801 Cb -0.16 0.21 -0.05 0.00 0.03 0.00 0.00 46.19 46.21 1vle s LEU 801 CO 0.13 -0.75 0.18 0.00 0.23 0.00 0.00 176.35 176.14 1vle s ALA 802 N -3.96 3.62 0.05 4.21 0.00 0.56 0.70 121.76 126.94 1vle s ALA 802 Ca 0.34 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 51.23 1vle s ALA 802 Cb 0.07 -2.33 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 1vle s ALA 802 CO 0.09 -0.12 0.87 0.00 0.00 0.00 0.00 175.76 176.61 1vle s ALA 803 N 0.91 3.28 -0.32 0.00 0.00 0.31 -1.70 121.76 124.23 1vle s ALA 803 Ca 0.09 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.48 1vle s ALA 803 Cb -0.13 -3.16 0.08 0.00 0.00 0.00 0.00 23.12 19.91 1vle s ALA 803 CO 0.03 -0.04 0.02 -1.14 0.00 0.00 0.00 175.76 174.63 1vle s GLN 804 N 0.27 2.08 0.07 0.00 0.74 -0.31 -0.17 119.66 122.34 1vle s GLN 804 Ca 0.44 -1.53 -0.30 0.00 0.05 0.00 0.00 55.36 54.01 1vle s GLN 804 Cb -0.21 -3.19 -0.06 0.00 1.10 0.00 0.00 33.01 30.65 1vle s GLN 804 CO 0.26 -0.77 1.16 0.08 -0.55 0.00 0.00 175.29 175.47 1vle s VAL 805 N 1.11 4.09 0.25 1.34 1.01 -1.26 -1.11 120.40 125.83 1vle s VAL 805 Ca 0.00 1.54 -0.08 0.00 0.00 0.00 0.00 61.98 63.44 1vle s VAL 805 Cb -0.20 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1vle s VAL 805 CO -0.04 0.14 0.39 0.28 0.00 0.00 0.00 175.10 175.87 1vle s THR 806 N 0.86 0.00 -1.16 3.92 -1.32 0.68 -4.89 115.64 113.73 1vle s THR 806 Ca 0.57 -1.60 0.13 0.00 -1.21 0.00 0.00 61.69 59.58 1vle s THR 806 Cb -0.29 -2.36 -0.01 0.00 -1.51 0.00 0.00 72.50 68.33 1vle s THR 806 CO 0.30 0.00 0.73 -0.62 -2.21 0.00 0.00 174.62 172.82 1vle n GLU 807 N -0.39 1.92 0.00 7.08 -0.58 -1.26 -2.12 120.64 125.30 1vle n GLU 807 Ca -0.00 -0.68 0.00 0.00 -0.42 0.00 0.00 57.16 56.06 1vle n GLU 807 Cb 0.63 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 1vle n GLU 807 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vle s LEU 809 N 0.00 0.05 0.32 0.00 1.43 -1.26 -1.60 118.68 117.62 1vle s LEU 809 Ca 0.00 1.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.82 1vle s LEU 809 Cb 0.00 1.70 -0.10 0.00 0.03 0.00 0.00 46.19 47.82 1vle s LEU 809 CO 0.00 -0.18 1.28 -1.58 0.23 0.00 0.00 176.35 176.10 1vle s GLN 810 N 0.39 4.39 0.23 1.70 0.74 -1.26 -4.75 119.66 121.10 1vle s GLN 810 Ca -0.01 2.16 -0.30 0.00 0.05 0.00 0.00 55.36 57.26 1vle s GLN 810 Cb -0.04 -3.09 -0.15 0.00 1.10 0.00 0.00 33.01 30.83 1vle s GLN 810 CO -0.01 -0.14 0.99 -2.30 -0.55 0.00 0.00 175.29 173.28 1vle n PRO 811 N 0.92 1.05 -0.15 1.67 -0.02 -1.26 -1.44 135.00 135.76 1vle n PRO 811 Ca 0.00 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1vle n PRO 811 Cb 0.42 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1vle n PRO 811 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vle n GLY 812 N 1.63 0.60 3.16 -1.23 0.00 -1.26 -5.05 105.19 103.03 1vle n GLY 812 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.35 1.78 0.17 2.61 2.01 -0.52 -1.36 115.64 117.98 1vle s THR 813 Ca 0.00 -0.85 0.10 0.00 0.31 0.00 0.00 61.69 61.25 1vle s THR 813 Cb 0.00 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1vle s THR 813 CO 0.00 0.50 -0.18 0.68 -0.69 0.00 0.00 174.62 174.93 1vle s VAL 814 N 0.46 2.74 -0.02 3.82 -7.23 -0.16 -4.31 120.40 115.70 1vle s VAL 814 Ca -0.17 -1.80 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1vle s VAL 814 Cb -0.17 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1vle s VAL 814 CO 0.07 -0.07 -0.09 -2.28 -0.31 0.00 0.00 175.10 172.42 1vle s HIS 815 N -1.58 0.89 -0.27 2.82 5.04 -0.80 -2.85 115.29 118.54 1vle s HIS 815 Ca 0.22 -0.21 -0.08 0.00 -1.54 0.00 0.00 55.06 53.45 1vle s HIS 815 Cb -0.09 -0.63 0.13 0.00 0.04 0.00 0.00 32.58 32.03 1vle s HIS 815 CO 0.12 -0.08 0.58 0.45 -2.34 0.00 0.00 174.74 173.47 1vle s SER 816 N 0.11 -0.92 0.70 9.88 0.15 -1.12 0.57 113.70 123.07 1vle s SER 816 Ca -0.02 1.32 -0.16 0.00 0.70 0.00 0.00 55.95 57.79 1vle s SER 816 Cb -0.07 2.03 -0.00 0.00 -1.71 0.00 0.00 66.02 66.27 1vle s SER 816 CO 0.00 -0.23 1.01 -1.22 1.20 0.00 0.00 173.24 174.00 1vle n TYR 817 N 5.43 0.85 -2.47 3.44 0.53 -1.26 -4.14 117.16 119.54 1vle n TYR 817 Ca -0.10 0.40 0.00 0.00 -1.02 0.00 0.00 57.90 57.19 1vle n TYR 817 Cb 0.49 -2.11 0.00 0.00 -1.03 0.00 0.00 39.34 36.69 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 -1.81 1.59 -1.12 -0.72 -0.00 -0.50 -4.70 120.64 113.39 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 -1.93 -4.14 -4.65 -1.84 7.64 -0.37 -4.09 113.62 104.24 1vle n SER 819 Ca 0.00 0.10 -0.50 0.00 1.01 0.00 0.00 58.87 59.48 1vle n SER 819 Cb 0.00 -2.00 -0.05 0.00 -1.01 0.00 0.00 64.21 61.15 1vle n SER 819 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vle h ALA 821 N 6.17 0.94 -2.96 0.00 0.00 -1.85 -3.38 119.26 118.18 1vle h ALA 821 Ca -0.47 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.81 1vle h ALA 821 Cb 1.29 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.92 1vle h ALA 821 CO 0.87 0.00 -0.53 0.08 0.00 0.00 0.00 179.25 179.67 1vle s VAL 822 N -3.14 5.21 -0.35 0.00 1.01 -1.26 -2.98 120.40 118.89 1vle s VAL 822 Ca 0.09 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 1vle s VAL 822 Cb 0.11 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 33.08 1vle s VAL 822 CO 0.63 0.29 0.12 -0.47 0.00 0.00 0.00 175.10 175.67 1vle s TYR 823 N 1.54 3.29 -0.52 5.22 5.04 -1.26 -3.91 117.35 126.75 1vle s TYR 823 Ca 0.07 -1.56 0.04 0.00 -2.44 0.00 0.00 57.07 53.18 1vle s TYR 823 Cb -0.15 -2.43 0.17 0.00 0.35 0.00 0.00 41.96 39.90 1vle s TYR 823 CO 0.08 -0.77 0.38 0.34 -1.34 0.00 0.00 175.55 174.25 1vle s ASP 824 N 1.52 2.85 0.41 4.32 2.15 -1.26 -4.75 116.67 121.90 1vle s ASP 824 Ca -0.01 -3.29 -0.26 0.00 0.43 0.00 0.00 52.55 49.42 1vle s ASP 824 Cb -0.20 -0.91 -0.09 0.00 -0.30 0.00 0.00 42.92 41.42 1vle s ASP 824 CO 0.02 -0.15 1.33 -2.84 -0.17 0.00 0.00 175.17 173.35 1vle s PRO 825 N -0.44 3.96 0.13 4.34 0.02 -1.26 -1.42 135.00 140.33 1vle s PRO 825 Ca 0.28 2.21 0.24 0.00 0.02 0.00 0.00 61.00 63.76 1vle s PRO 825 Cb -0.02 -2.77 0.40 0.00 0.02 0.00 0.00 34.50 32.12 1vle s PRO 825 CO -0.17 -0.52 1.37 1.28 -0.33 0.00 0.00 177.00 178.64 1vle n LEU 826 N 0.15 0.71 0.00 -5.54 4.77 -0.02 -4.71 117.00 112.35 1vle n LEU 826 Ca 0.03 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1vle n LEU 826 Cb 0.43 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1vle n LEU 826 CO 0.57 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1vle n GLY 827 N 1.34 5.54 3.77 -0.72 0.00 -1.26 -4.92 105.19 108.94 1vle n GLY 827 Ca 0.04 -1.10 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 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 2.04 2.76 0.29 2.61 2.01 -1.26 -4.39 115.64 119.70 1vle s THR 828 Ca 0.00 0.71 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 1vle s THR 828 Cb 0.00 -3.43 -0.12 0.00 0.01 0.00 0.00 72.50 68.95 1vle s THR 828 CO 0.00 0.13 1.49 0.00 -0.69 0.00 0.00 174.62 175.55 1vle n ALA 829 N 0.46 1.94 -0.59 7.40 0.00 -1.26 -1.85 120.51 126.61 1vle n ALA 829 Ca 0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1vle n ALA 829 Cb 0.43 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1vle n ALA 829 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vle n GLY 830 N 1.81 0.68 0.00 0.00 0.00 -1.26 -4.73 105.19 101.69 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 -2.00 0.43 -4.23 1.61 5.02 -0.77 -4.82 118.16 113.40 1vle n LYS 831 Ca 0.00 -0.70 -0.15 0.00 -2.02 0.00 0.00 58.31 55.44 1vle n LYS 831 Cb 0.00 -0.85 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.28 0.80 0.50 4.39 1.04 -1.02 -2.17 113.70 116.96 1vle s SER 832 Ca 0.00 -1.54 -0.23 0.00 0.48 0.00 0.00 55.95 54.66 1vle s SER 832 Cb 0.00 0.46 -0.06 0.00 0.10 0.00 0.00 66.02 66.52 1vle s SER 832 CO 0.00 -0.94 1.33 0.00 0.98 0.00 0.00 173.24 174.61 1vle s ALA 833 N -3.84 2.97 -0.09 5.32 0.00 -0.10 -4.69 121.76 121.32 1vle s ALA 833 Ca 0.40 1.28 -0.01 0.00 0.00 0.00 0.00 51.96 53.63 1vle s ALA 833 Cb 0.05 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1vle s ALA 833 CO 0.19 -1.16 -0.05 0.34 0.00 0.00 0.00 175.76 175.08 1vle s ASP 834 N -0.92 4.80 0.00 0.00 2.15 -0.53 -0.84 116.67 121.33 1vle s ASP 834 Ca 0.67 -0.01 0.12 0.00 0.43 0.00 0.00 52.55 53.76 1vle s ASP 834 Cb -0.39 -1.37 0.04 0.00 -0.30 0.00 0.00 42.92 40.90 1vle s ASP 834 CO 0.47 0.32 0.79 -2.11 -0.17 0.00 0.00 175.17 174.47 1vle n ARG 835 N 2.49 1.44 -0.24 4.34 1.85 -0.51 -0.78 116.66 125.26 1vle n ARG 835 Ca -0.18 -0.92 -0.07 0.00 -1.00 0.00 0.00 57.85 55.68 1vle n ARG 835 Cb 0.53 -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 2.53 1.10 0.00 2.89 0.00 -1.74 -3.42 103.07 104.44 1vle h GLY 836 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1vle h GLY 836 CO 0.00 0.59 0.00 0.61 0.00 0.00 0.00 176.54 177.74 1vle n GLY 837 N -0.79 1.89 3.49 4.60 0.00 -1.25 -4.37 105.19 108.76 1vle n GLY 837 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 5.66 0.75 0.00 0.00 1.08 -1.88 -1.73 117.51 121.39 1vle h ILE 839 Ca 0.35 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.82 1vle h ILE 839 Cb 0.87 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.40 1vle h ILE 839 CO 1.42 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 179.47 1vle n ASN 840 N -4.34 0.00 0.19 1.72 3.02 -1.26 -0.90 115.26 113.68 1vle n ASN 840 Ca 0.07 -0.12 0.05 0.00 -0.03 0.00 0.00 54.58 54.55 1vle n ASN 840 Cb 0.51 -0.11 0.39 0.00 -0.61 0.00 0.00 39.78 39.96 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 1.05 0.00 2.41 2.04 -1.54 -1.56 117.51 119.90 1vle h ILE 841 Ca 0.00 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.52 1vle h ILE 841 Cb 0.03 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1vle h ILE 841 CO 0.00 0.36 -0.84 0.18 0.00 0.00 0.00 178.15 177.85 1vle n LEU 842 N -3.80 0.63 -4.80 1.44 4.77 -0.08 -4.14 117.00 111.02 1vle n LEU 842 Ca -0.01 0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.66 1vle n LEU 842 Cb 0.44 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1vle n LEU 842 CO 0.37 0.04 0.69 0.42 -1.33 0.00 0.00 177.39 177.58 1vle s THR 843 N -3.15 4.02 0.17 -5.08 -4.23 -1.18 -4.81 115.64 101.39 1vle s THR 843 Ca 0.06 1.37 -0.31 0.00 -1.18 0.00 0.00 61.69 61.63 1vle s THR 843 Cb 0.15 -3.62 -0.09 0.00 1.34 0.00 0.00 72.50 70.28 1vle s THR 843 CO 0.77 -0.16 1.44 -2.16 -0.54 0.00 0.00 174.62 173.96 1vle s PRO 844 N -2.91 4.29 0.00 3.99 0.04 -1.26 -0.43 135.00 138.72 1vle s PRO 844 Ca 0.61 2.19 0.25 0.00 0.04 0.00 0.00 61.00 64.10 1vle s PRO 844 Cb -0.15 -3.19 0.62 0.00 0.04 0.00 0.00 34.50 31.82 1vle s PRO 844 CO 0.20 -0.45 1.50 -0.40 0.04 0.00 0.00 177.00 177.89 1vle n ASP 845 N 3.45 2.29 -4.73 6.66 3.85 -1.26 -4.41 116.55 122.40 1vle n ASP 845 Ca 0.10 -1.77 -0.42 0.00 -0.71 0.00 0.00 54.79 52.00 1vle n ASP 845 Cb 0.41 -0.03 -0.03 0.00 -1.35 0.00 0.00 41.12 40.12 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 -1.93 4.30 0.71 0.11 3.52 -1.26 -4.96 118.95 119.44 1vle s ARG 846 Ca 0.34 2.21 -0.16 0.00 -0.13 0.00 0.00 55.73 57.98 1vle s ARG 846 Cb 0.20 -3.16 0.02 0.00 -1.56 0.00 0.00 34.95 30.45 1vle s ARG 846 CO 0.31 -0.41 1.13 0.66 -0.81 0.00 0.00 175.30 176.18 1vle n TYR 847 N 2.94 1.23 -0.26 5.12 0.53 -1.26 -4.39 117.16 121.08 1vle n TYR 847 Ca 0.09 0.41 0.06 0.00 -1.02 0.00 0.00 57.90 57.43 1vle n TYR 847 Cb 0.41 -2.15 0.19 0.00 -1.03 0.00 0.00 39.34 36.76 1vle n TYR 847 CO 0.00 0.00 0.00 0.82 -1.02 0.00 0.00 176.86 176.66 1vle h ILE 848 N -0.12 0.64 -4.24 -0.72 2.04 -1.16 -3.44 117.51 110.50 1vle h ILE 848 Ca -0.48 -0.15 -0.23 0.00 1.00 0.00 0.00 64.86 65.00 1vle h ILE 848 Cb 1.33 0.17 -0.11 0.00 -0.74 0.00 0.00 36.82 37.47 1vle h ILE 848 CO 0.49 0.08 -0.34 -0.94 0.00 0.00 0.00 178.15 177.43 1vle s SER 849 N -5.33 0.51 0.28 1.72 1.04 -0.96 -4.96 113.70 106.00 1vle s SER 849 Ca -0.12 -1.34 0.02 0.00 0.48 0.00 0.00 55.95 54.98 1vle s SER 849 Cb 0.21 0.54 0.59 0.00 0.10 0.00 0.00 66.02 67.46 1vle s SER 849 CO 0.76 -1.09 1.80 0.50 0.98 0.00 0.00 173.24 176.20 1vle h LYS 850 N 2.31 0.80 0.00 4.02 3.64 -1.92 -3.04 116.57 122.38 1vle h LYS 850 Ca -0.30 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1vle h LYS 850 Cb 1.24 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1vle h LYS 850 CO 0.42 0.53 -0.81 0.66 -2.27 0.00 0.00 179.45 177.97 1vle n TYR 851 N -4.73 0.00 -2.73 1.91 4.01 -1.26 -4.79 117.16 109.57 1vle n TYR 851 Ca 0.19 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.51 1vle n TYR 851 Cb 0.43 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 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 -2.20 2.99 -1.44 -0.72 0.00 -1.15 -4.67 121.76 114.58 1vle s ALA 852 Ca 0.01 -2.20 -0.08 0.00 0.00 0.00 0.00 51.96 49.69 1vle s ALA 852 Cb 0.07 -4.22 0.04 0.00 0.00 0.00 0.00 23.12 19.02 1vle s ALA 852 CO 0.41 -3.22 2.56 0.00 0.00 0.00 0.00 175.76 175.51 1vle s GLY 854 N 1.16 2.47 0.10 0.00 0.00 -1.26 -4.88 107.32 104.89 1vle s GLY 854 Ca 0.59 -2.25 -0.27 0.00 0.00 0.00 0.00 44.72 42.79 1vle s GLY 854 CO -0.08 -2.07 0.84 -3.16 0.00 0.00 0.00 173.10 168.64 1vle s MET 855 N -3.74 4.60 -0.32 2.90 0.23 -1.26 -2.10 119.30 119.61 1vle s MET 855 Ca 0.35 1.23 0.08 0.00 -1.03 0.00 0.00 55.69 56.32 1vle s MET 855 Cb 0.10 -3.35 0.54 0.00 -1.53 0.00 0.00 34.83 30.59 1vle s MET 855 CO 0.17 0.32 1.56 0.00 -2.03 0.00 0.00 175.02 175.04 1vle n ALA 856 N 2.55 4.56 -0.36 3.16 0.00 -1.26 -3.71 120.51 125.44 1vle n ALA 856 Ca -0.01 -3.08 -0.02 0.00 0.00 0.00 0.00 53.44 50.33 1vle n ALA 856 Cb 0.49 -0.88 0.02 0.00 0.00 0.00 0.00 19.45 19.09 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 1.04 -1.47 0.00 0.00 4.21 -1.75 -3.09 115.58 114.52 1vle h ASN 857 Ca 0.30 0.30 0.00 0.00 1.21 0.00 0.00 56.30 58.11 1vle h ASN 857 Cb 1.90 0.75 0.00 0.00 -1.12 0.00 0.00 38.32 39.86 1vle h ASN 857 CO 0.53 -0.29 0.00 0.59 -1.29 0.00 0.00 177.43 176.97 1vle n ASN 858 N -5.45 0.01 -3.75 5.81 3.02 -0.44 -3.90 115.26 110.56 1vle n ASN 858 Ca 0.09 -0.32 -0.30 0.00 -0.03 0.00 0.00 54.58 54.02 1vle n ASN 858 Cb 0.38 -0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.40 1vle n ASN 858 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1vle s THR 859 N -1.96 0.98 -0.03 3.41 -4.23 -1.17 -4.26 115.64 108.38 1vle s THR 859 Ca 0.00 -1.50 -0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1vle s THR 859 Cb 0.00 -1.74 0.03 0.00 1.34 0.00 0.00 72.50 72.13 1vle s THR 859 CO 0.00 -0.68 0.01 0.00 -0.54 0.00 0.00 174.62 173.41 1vle s ALA 860 N 1.53 0.28 -0.08 3.99 0.00 -0.96 -4.60 121.76 121.91 1vle s ALA 860 Ca 0.10 0.18 -0.18 0.00 0.00 0.00 0.00 51.96 52.05 1vle s ALA 860 Cb -0.18 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1vle s ALA 860 CO -0.23 -0.16 0.50 -0.51 0.00 0.00 0.00 175.76 175.36 1vle s LEU 861 N 1.24 4.32 0.30 0.00 1.43 -1.26 -0.53 118.68 124.18 1vle s LEU 861 Ca -0.07 0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 53.91 1vle s LEU 861 Cb -0.13 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 1vle s LEU 861 CO -0.02 0.05 0.38 0.68 0.23 0.00 0.00 176.35 177.66 1vle s VAL 862 N 0.31 0.00 0.02 -1.59 -7.23 -0.23 -4.73 120.40 106.96 1vle s VAL 862 Ca 0.27 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 1vle s VAL 862 Cb -0.16 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 1vle s VAL 862 CO 0.12 0.00 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.12 1vle s GLU 863 N -3.49 0.64 0.14 4.82 2.56 -0.65 -1.33 118.70 121.40 1vle s GLU 863 Ca 0.32 -0.54 0.06 0.00 0.00 0.00 0.00 54.97 54.81 1vle s GLU 863 Cb 0.01 -0.57 -0.04 0.00 2.00 0.00 0.00 34.13 35.54 1vle s GLU 863 CO 0.18 0.14 -0.15 0.96 -0.56 0.00 0.00 175.26 175.83 1vle s ILE 864 N -0.73 1.46 0.16 -3.70 -4.36 -1.26 -1.47 121.20 111.30 1vle s ILE 864 Ca -0.02 -1.84 -0.24 0.00 -0.26 0.00 0.00 60.65 58.29 1vle s ILE 864 Cb -0.06 -1.68 0.06 0.00 1.25 0.00 0.00 42.46 42.03 1vle s ILE 864 CO 0.00 -0.45 0.69 -1.83 0.24 0.00 0.00 174.94 173.60 1vle s GLU 865 N -2.90 1.30 0.34 0.37 -1.05 -1.02 -4.98 118.70 110.75 1vle s GLU 865 Ca 0.12 -0.56 -0.29 0.00 -0.15 0.00 0.00 54.97 54.10 1vle s GLU 865 Cb -0.04 0.55 -0.11 0.00 -0.44 0.00 0.00 34.13 34.09 1vle s GLU 865 CO 0.04 -0.58 1.44 0.15 0.95 0.00 0.00 175.26 177.26 1vle s LYS 866 N -3.66 4.21 -0.26 -4.83 1.02 -1.26 -0.44 119.74 114.51 1vle s LYS 866 Ca 0.04 2.43 -0.29 0.00 0.02 0.00 0.00 55.97 58.17 1vle s LYS 866 Cb -0.02 -3.02 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 1vle s LYS 866 CO -0.08 -0.42 1.06 -0.46 -0.92 0.00 0.00 175.35 174.53 1vle s TRP 867 N -0.87 3.26 -0.69 3.18 -0.00 -0.39 -4.66 118.94 118.77 1vle s TRP 867 Ca 0.53 1.36 0.26 0.00 -0.00 0.00 0.00 56.10 58.25 1vle s TRP 867 Cb -0.44 -3.43 0.84 0.00 -0.00 0.00 0.00 33.47 30.44 1vle s TRP 867 CO 0.56 -0.61 1.77 -0.40 -0.00 0.00 0.00 176.95 178.27 1vle n ASP 868 N 6.53 0.80 0.00 5.86 5.75 -1.26 -4.92 116.55 129.30 1vle n ASP 868 Ca 0.12 0.59 0.00 0.00 -0.01 0.00 0.00 54.79 55.49 1vle n ASP 868 Cb 0.46 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1vle n ASP 868 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vle n GLY 869 N 1.11 1.49 3.73 6.12 0.00 -1.26 -5.11 105.19 111.28 1vle n GLY 869 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.92 4.44 0.00 1.61 3.68 -1.26 -4.93 116.67 118.29 1vle s ASP 870 Ca 0.00 2.46 0.26 0.00 2.13 0.00 0.00 52.55 57.39 1vle s ASP 870 Cb 0.00 -2.60 0.60 0.00 -1.45 0.00 0.00 42.92 39.47 1vle s ASP 870 CO 0.00 -2.11 1.48 2.29 0.13 0.00 0.00 175.17 176.97 1vle n LYS 871 N -2.31 0.01 -3.70 4.34 2.85 -1.26 -4.96 118.16 113.13 1vle n LYS 871 Ca 0.14 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.10 1vle n LYS 871 Cb 0.49 -1.51 0.03 0.00 -0.65 0.00 0.00 35.03 33.40 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 -1.52 -1.95 -2.47 5.58 4.02 -1.26 -0.92 117.16 118.64 1vle n TYR 872 Ca 0.06 0.50 -0.43 0.00 -0.01 0.00 0.00 57.90 58.02 1vle n TYR 872 Cb 0.34 -3.31 0.00 0.00 -0.02 0.00 0.00 39.34 36.35 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 -3.90 3.36 -0.09 -0.72 2.13 -1.26 -3.22 120.64 116.95 1vle n GLU 873 Ca -0.12 -3.44 0.01 0.00 0.66 0.00 0.00 57.16 54.27 1vle n GLU 873 Cb 0.59 -3.10 0.01 0.00 0.27 0.00 0.00 31.44 29.21 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 4.46 0.38 0.56 6.31 -5.35 -0.97 -4.96 119.36 119.80 1vle n ILE 874 Ca 0.42 -0.41 0.07 0.00 -0.27 0.00 0.00 62.75 62.56 1vle n ILE 874 Cb 0.40 0.70 0.06 0.00 -1.74 0.00 0.00 39.64 39.06 1vle n ILE 874 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57