#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ti6 n GLY 2 N 0.00 4.95 3.97 3.03 0.00 -1.26 -5.07 105.19 110.81 1ti6 n GLY 2 Ca 0.00 -1.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.54 1ti6 n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ti6 s GLU 3 N 1.21 2.74 -0.08 1.61 0.41 -1.26 -4.79 118.70 118.55 1ti6 s GLU 3 Ca 0.00 -0.74 -0.27 0.00 -0.41 0.00 0.00 54.97 53.55 1ti6 s GLU 3 Cb 0.00 -2.55 -0.03 0.00 -1.78 0.00 0.00 34.13 29.78 1ti6 s GLU 3 CO 0.00 -0.51 0.86 0.08 -0.49 0.00 0.00 175.26 175.19 1ti6 s VAL 4 N -2.64 4.92 -0.09 2.63 1.01 -1.26 -4.55 120.40 120.41 1ti6 s VAL 4 Ca 0.54 1.75 0.00 0.00 0.00 0.00 0.00 61.98 64.27 1ti6 s VAL 4 Cb -0.10 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1ti6 s VAL 4 CO 0.37 0.14 -0.09 -0.69 0.00 0.00 0.00 175.10 174.83 1ti6 s VAL 5 N 1.35 3.49 -0.41 2.92 1.01 0.66 -4.91 120.40 124.52 1ti6 s VAL 5 Ca 0.43 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 1ti6 s VAL 5 Cb -0.18 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.77 1ti6 s VAL 5 CO 0.20 0.56 0.45 -0.60 0.00 0.00 0.00 175.10 175.71 1ti6 s ARG 6 N -0.36 3.22 0.52 2.72 3.52 -1.26 -0.37 118.95 126.93 1ti6 s ARG 6 Ca 0.05 -0.62 0.05 0.00 -0.13 0.00 0.00 55.73 55.08 1ti6 s ARG 6 Cb -0.12 -3.93 0.02 0.00 -1.56 0.00 0.00 34.95 29.35 1ti6 s ARG 6 CO 0.02 -0.81 0.34 -0.51 -0.81 0.00 0.00 175.30 173.54 1ti6 s LEU 7 N 2.21 2.76 0.16 -0.88 1.43 1.00 -4.91 118.68 120.45 1ti6 s LEU 7 Ca 0.14 -1.23 0.10 0.00 -1.03 0.00 0.00 54.13 52.10 1ti6 s LEU 7 Cb -0.17 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1ti6 s LEU 7 CO 0.14 -0.98 -0.22 0.42 0.23 0.00 0.00 176.35 175.94 1ti6 s THR 8 N -2.74 2.04 0.23 5.49 -4.23 -1.26 0.14 115.64 115.30 1ti6 s THR 8 Ca 0.33 -1.87 -0.20 0.00 -1.18 0.00 0.00 61.69 58.77 1ti6 s THR 8 Cb -0.01 -1.91 0.07 0.00 1.34 0.00 0.00 72.50 71.99 1ti6 s THR 8 CO 0.20 -0.15 0.96 -3.20 -0.54 0.00 0.00 174.62 171.88 1ti6 n ASN 9 N 0.50 -1.85 -1.83 3.99 2.85 -1.01 -1.54 115.26 116.38 1ti6 n ASN 9 Ca -0.15 -2.06 -0.07 0.00 -0.11 0.00 0.00 54.58 52.20 1ti6 n ASN 9 Cb 0.56 3.02 -0.02 0.00 1.24 0.00 0.00 39.78 44.58 1ti6 n ASN 9 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1ti6 n SER 10 N -1.35 -0.46 -3.36 1.20 2.88 -1.26 -1.14 113.62 110.13 1ti6 n SER 10 Ca -0.04 -1.80 -0.04 0.00 -1.33 0.00 0.00 58.87 55.66 1ti6 n SER 10 Cb 0.58 0.91 0.01 0.00 -0.75 0.00 0.00 64.21 64.96 1ti6 n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ti6 s SER 11 N -1.89 -0.02 0.00 -3.46 1.04 -1.01 -4.80 113.70 103.55 1ti6 s SER 11 Ca 0.13 -0.70 0.19 0.00 0.48 0.00 0.00 55.95 56.05 1ti6 s SER 11 Cb -0.00 0.55 1.11 0.00 0.10 0.00 0.00 66.02 67.78 1ti6 s SER 11 CO 0.09 -1.07 1.54 0.35 0.98 0.00 0.00 173.24 175.13 1ti6 n THR 12 N -0.65 0.07 -0.06 2.02 -2.24 -1.26 -1.77 114.28 110.40 1ti6 n THR 12 Ca -0.04 0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.78 1ti6 n THR 12 Cb 0.60 -0.72 0.07 0.00 -2.10 0.00 0.00 70.33 68.18 1ti6 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ti6 n GLY 13 N 0.21 2.54 0.00 3.38 0.00 -1.26 -3.82 105.19 106.23 1ti6 n GLY 13 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ti6 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 14 N 0.02 2.85 3.74 -0.02 0.00 -0.73 -1.86 105.19 109.19 1ti6 n GLY 14 Ca 0.05 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 1ti6 n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ti6 s PRO 15 N -2.85 1.92 0.05 1.61 0.02 -1.26 -2.42 135.00 132.08 1ti6 s PRO 15 Ca 0.00 1.35 -0.14 0.00 0.02 0.00 0.00 61.00 62.23 1ti6 s PRO 15 Cb 0.00 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.70 1ti6 s PRO 15 CO 0.00 -1.92 0.31 0.14 -0.33 0.00 0.00 177.00 175.20 1ti6 s VAL 16 N -2.70 0.08 -0.20 3.83 -7.23 -0.29 -4.49 120.40 109.40 1ti6 s VAL 16 Ca 0.64 -0.68 -0.12 0.00 -1.81 0.00 0.00 61.98 60.02 1ti6 s VAL 16 Cb -0.20 -0.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 1ti6 s VAL 16 CO 0.54 -0.37 0.21 -0.36 -0.31 0.00 0.00 175.10 174.81 1ti6 s PHE 17 N -2.67 3.39 -0.25 2.82 2.99 -0.15 -2.39 117.98 121.71 1ti6 s PHE 17 Ca -0.04 0.40 -0.02 0.00 0.00 0.00 0.00 56.93 57.26 1ti6 s PHE 17 Cb -0.00 -2.28 0.02 0.00 0.00 0.00 0.00 43.02 40.76 1ti6 s PHE 17 CO -0.04 0.17 -0.04 0.08 -0.00 0.00 0.00 175.22 175.39 1ti6 s VAL 18 N 0.71 3.02 -0.24 -0.44 1.01 0.12 -1.58 120.40 123.01 1ti6 s VAL 18 Ca 0.11 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 1ti6 s VAL 18 Cb -0.13 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1ti6 s VAL 18 CO 0.03 0.20 0.61 -0.31 0.00 0.00 0.00 175.10 175.63 1ti6 s TYR 19 N 1.35 3.30 0.03 5.22 1.51 -0.79 -0.00 117.35 127.98 1ti6 s TYR 19 Ca 0.01 0.82 0.08 0.00 -1.01 0.00 0.00 57.07 56.97 1ti6 s TYR 19 Cb -0.17 -2.81 -0.03 0.00 -0.11 0.00 0.00 41.96 38.85 1ti6 s TYR 19 CO -0.04 -0.28 -0.25 0.08 -1.11 0.00 0.00 175.55 173.96 1ti6 s VAL 20 N 2.32 1.99 -0.07 0.71 1.01 0.50 -0.59 120.40 126.27 1ti6 s VAL 20 Ca 0.26 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1ti6 s VAL 20 Cb -0.16 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.57 1ti6 s VAL 20 CO 0.09 0.38 0.16 -0.75 0.00 0.00 0.00 175.10 174.97 1ti6 s LYS 21 N -1.07 0.08 -1.43 2.72 2.20 -0.20 -0.24 119.74 121.80 1ti6 s LYS 21 Ca 0.10 0.43 -0.05 0.00 -0.36 0.00 0.00 55.97 56.09 1ti6 s LYS 21 Cb -0.10 -0.20 0.04 0.00 -1.51 0.00 0.00 37.83 36.06 1ti6 s LYS 21 CO 0.01 -0.20 0.70 -0.25 -0.36 0.00 0.00 175.35 175.25 1ti6 n ASP 22 N 4.51 -2.04 -0.27 1.43 8.00 -1.26 -1.24 116.55 125.69 1ti6 n ASP 22 Ca -0.21 -0.88 -0.03 0.00 0.71 0.00 0.00 54.79 54.38 1ti6 n ASP 22 Cb 0.51 -3.61 -0.01 0.00 -0.02 0.00 0.00 41.12 37.99 1ti6 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ti6 n GLY 23 N -1.70 0.52 3.27 0.44 0.00 -1.26 -5.00 105.19 101.47 1ti6 n GLY 23 Ca -0.18 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1ti6 n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ti6 s LYS 24 N -1.70 1.80 -0.20 1.61 2.20 -0.37 -4.68 119.74 118.40 1ti6 s LYS 24 Ca 0.00 -0.88 -0.29 0.00 -0.36 0.00 0.00 55.97 54.44 1ti6 s LYS 24 Cb 0.00 -1.80 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 1ti6 s LYS 24 CO 0.00 0.48 1.02 0.42 -0.36 0.00 0.00 175.35 176.92 1ti6 s ILE 25 N -0.61 4.71 -0.13 5.43 1.01 -1.26 -1.03 121.20 129.32 1ti6 s ILE 25 Ca 0.09 2.02 -0.14 0.00 0.00 0.00 0.00 60.65 62.63 1ti6 s ILE 25 Cb -0.09 -4.31 -0.25 0.00 0.01 0.00 0.00 42.46 37.83 1ti6 s ILE 25 CO -0.00 -0.13 0.40 0.40 0.00 0.00 0.00 174.94 175.61 1ti6 h ILE 26 N 5.35 0.83 -2.73 2.92 2.04 -1.21 -3.49 117.51 121.23 1ti6 h ILE 26 Ca -0.22 -2.32 0.08 0.00 1.00 0.00 0.00 64.86 63.39 1ti6 h ILE 26 Cb 1.08 2.51 -0.09 0.00 -0.74 0.00 0.00 36.82 39.58 1ti6 h ILE 26 CO 0.94 0.69 0.33 0.00 0.00 0.00 0.00 178.15 180.11 1ti6 s ARG 27 N -2.48 1.37 -0.03 2.37 1.70 -1.22 -5.02 118.95 115.63 1ti6 s ARG 27 Ca -0.23 -0.67 0.01 0.00 -0.47 0.00 0.00 55.73 54.37 1ti6 s ARG 27 Cb 0.06 0.52 0.02 0.00 -0.57 0.00 0.00 34.95 34.98 1ti6 s ARG 27 CO 0.73 -0.62 -0.03 -1.64 -1.08 0.00 0.00 175.30 172.66 1ti6 s MET 28 N -3.60 0.56 0.16 3.89 -1.94 -1.26 -1.88 119.30 115.23 1ti6 s MET 28 Ca 0.08 -0.04 -0.00 0.00 -1.71 0.00 0.00 55.69 54.01 1ti6 s MET 28 Cb -0.03 -0.64 -0.04 0.00 2.01 0.00 0.00 34.83 36.13 1ti6 s MET 28 CO -0.02 -0.08 0.06 0.95 -0.01 0.00 0.00 175.02 175.93 1ti6 s THR 29 N 0.83 0.22 1.07 2.05 -4.23 -0.61 -4.94 115.64 110.03 1ti6 s THR 29 Ca -0.10 -1.94 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 1ti6 s THR 29 Cb -0.13 -2.17 0.23 0.00 1.34 0.00 0.00 72.50 71.77 1ti6 s THR 29 CO -0.01 -0.36 1.06 -2.84 -0.54 0.00 0.00 174.62 171.94 1ti6 s PRO 30 N -4.04 -0.19 -0.20 3.99 0.02 -1.26 -0.98 135.00 132.34 1ti6 s PRO 30 Ca 0.27 0.71 -0.07 0.00 0.02 0.00 0.00 61.00 61.93 1ti6 s PRO 30 Cb 0.07 -1.65 -0.03 0.00 0.02 0.00 0.00 34.50 32.91 1ti6 s PRO 30 CO 0.05 -3.20 0.05 -1.64 -0.33 0.00 0.00 177.00 171.93 1ti6 s MET 31 N -4.72 3.82 -0.20 5.54 -1.94 -1.26 -4.45 119.30 116.09 1ti6 s MET 31 Ca 0.67 -0.42 -0.10 0.00 -1.71 0.00 0.00 55.69 54.14 1ti6 s MET 31 Cb -0.22 -3.22 -0.05 0.00 2.01 0.00 0.00 34.83 33.36 1ti6 s MET 31 CO 0.61 0.10 0.12 -0.51 -0.01 0.00 0.00 175.02 175.32 1ti6 s ASP 32 N 0.84 6.08 0.58 3.03 1.01 -1.26 -0.73 116.67 126.22 1ti6 s ASP 32 Ca 0.03 0.19 -0.17 0.00 0.71 0.00 0.00 52.55 53.31 1ti6 s ASP 32 Cb -0.14 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 1ti6 s ASP 32 CO 0.02 0.17 1.08 -0.36 0.21 0.00 0.00 175.17 176.29 1ti6 s PHE 33 N 0.43 2.86 -0.44 4.23 2.99 -0.94 -5.01 117.98 122.11 1ti6 s PHE 33 Ca 0.07 1.54 -0.08 0.00 0.00 0.00 0.00 56.93 58.45 1ti6 s PHE 33 Cb -0.12 -3.10 0.10 0.00 0.00 0.00 0.00 43.02 39.91 1ti6 s PHE 33 CO -0.01 -1.25 0.29 0.34 -0.00 0.00 0.00 175.22 174.58 1ti6 s ASP 34 N -2.43 5.61 0.36 1.36 -1.08 -1.26 -4.95 116.67 114.27 1ti6 s ASP 34 Ca 0.66 -1.75 0.21 0.00 -0.52 0.00 0.00 52.55 51.16 1ti6 s ASP 34 Cb -0.18 -1.97 1.15 0.00 -1.46 0.00 0.00 42.92 40.45 1ti6 s ASP 34 CO 0.33 -0.60 1.62 0.44 0.52 0.00 0.00 175.17 177.47 1ti6 h ASP 35 N 8.38 0.00 1.74 -0.34 3.32 -1.96 0.53 116.42 128.09 1ti6 h ASP 35 Ca -0.21 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 1ti6 h ASP 35 Cb 1.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1ti6 h ASP 35 CO 0.79 0.00 -0.19 0.00 -1.72 0.00 0.00 179.24 178.12 1ti6 h ALA 36 N 1.74 0.88 0.00 3.45 0.00 -2.01 -3.37 119.26 119.96 1ti6 h ALA 36 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ti6 h ALA 36 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ti6 h ALA 36 CO 0.00 0.24 -0.05 1.33 0.00 0.00 0.00 179.25 180.76 1ti6 n VAL 37 N -3.16 0.00 -4.16 0.00 0.24 0.13 -5.04 118.33 106.34 1ti6 n VAL 37 Ca 0.03 -0.24 -0.34 0.00 -2.04 0.00 0.00 64.34 61.74 1ti6 n VAL 37 Cb 0.59 0.93 -0.12 0.00 -1.47 0.00 0.00 33.84 33.77 1ti6 n VAL 37 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1ti6 s ASP 38 N -0.60 4.92 0.57 -1.34 1.01 0.16 -4.97 116.67 116.42 1ti6 s ASP 38 Ca 0.00 -0.15 -0.18 0.00 0.71 0.00 0.00 52.55 52.93 1ti6 s ASP 38 Cb 0.00 -1.83 -0.09 0.00 1.01 0.00 0.00 42.92 42.01 1ti6 s ASP 38 CO 0.00 0.11 0.53 0.00 0.21 0.00 0.00 175.17 176.01 1ti6 n ALA 39 N 3.96 -1.13 -1.33 5.23 0.00 -1.26 -4.57 120.51 121.41 1ti6 n ALA 39 Ca -0.17 -0.02 -0.33 0.00 0.00 0.00 0.00 53.44 52.91 1ti6 n ALA 39 Cb 0.52 -1.83 0.09 0.00 0.00 0.00 0.00 19.45 18.23 1ti6 n ALA 39 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ti6 s PRO 40 N -2.09 2.22 0.70 0.00 0.02 -1.26 -4.97 135.00 129.62 1ti6 s PRO 40 Ca 0.69 1.60 -0.08 0.00 0.02 0.00 0.00 61.00 63.22 1ti6 s PRO 40 Cb -0.44 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.27 1ti6 s PRO 40 CO 0.54 -1.74 1.03 -1.12 -0.33 0.00 0.00 177.00 175.39 1ti6 s SER 41 N -2.34 4.97 0.83 2.53 0.01 -1.26 -4.24 113.70 114.20 1ti6 s SER 41 Ca 0.71 0.64 -0.12 0.00 1.31 0.00 0.00 55.95 58.49 1ti6 s SER 41 Cb -0.25 -1.34 0.09 0.00 0.21 0.00 0.00 66.02 64.73 1ti6 s SER 41 CO 0.46 -1.53 1.13 -1.66 0.41 0.00 0.00 173.24 172.05 1ti6 s TRP 42 N -3.28 2.81 0.03 2.43 1.48 -1.26 -4.95 118.94 116.20 1ti6 s TRP 42 Ca 0.59 0.93 0.01 0.00 -1.06 0.00 0.00 56.10 56.58 1ti6 s TRP 42 Cb -0.11 -3.30 -0.02 0.00 -1.16 0.00 0.00 33.47 28.88 1ti6 s TRP 42 CO 0.46 -1.91 -0.06 0.15 -4.06 0.00 0.00 176.95 171.54 1ti6 s LYS 43 N -5.33 0.43 -0.09 3.25 1.02 -1.26 -4.42 119.74 113.35 1ti6 s LYS 43 Ca 0.62 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.98 1ti6 s LYS 43 Cb -0.13 -0.17 0.03 0.00 -0.52 0.00 0.00 37.83 37.03 1ti6 s LYS 43 CO 0.52 0.02 -0.02 0.42 -0.92 0.00 0.00 175.35 175.37 1ti6 s ILE 44 N -1.20 0.59 -0.24 2.17 1.01 0.04 -4.97 121.20 118.62 1ti6 s ILE 44 Ca -0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 1ti6 s ILE 44 Cb -0.09 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1ti6 s ILE 44 CO -0.00 0.29 0.33 -1.61 0.00 0.00 0.00 174.94 173.95 1ti6 s GLU 45 N 1.89 4.09 -0.22 2.79 8.01 -1.26 -0.08 118.70 133.91 1ti6 s GLU 45 Ca 0.05 0.02 -0.13 0.00 0.01 0.00 0.00 54.97 54.91 1ti6 s GLU 45 Cb -0.12 -3.58 0.07 0.00 -4.31 0.00 0.00 34.13 26.18 1ti6 s GLU 45 CO -0.06 -0.10 0.54 0.00 0.01 0.00 0.00 175.26 175.64 1ti6 s ALA 46 N 1.53 -1.41 -1.34 5.21 0.00 -0.04 -4.96 121.76 120.75 1ti6 s ALA 46 Ca 0.14 1.88 -0.05 0.00 0.00 0.00 0.00 51.96 53.93 1ti6 s ALA 46 Cb -0.15 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 21.85 1ti6 s ALA 46 CO 0.08 -0.31 0.53 0.54 0.00 0.00 0.00 175.76 176.60 1ti6 n ARG 47 N 4.07 -2.98 -0.91 0.00 1.74 -1.26 -1.25 116.66 116.06 1ti6 n ARG 47 Ca -0.21 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1ti6 n ARG 47 Cb 0.57 -4.47 0.00 0.00 -1.02 0.00 0.00 32.46 27.53 1ti6 n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ti6 n GLY 48 N -1.88 0.29 3.47 -0.13 0.00 -1.26 -4.98 105.19 100.69 1ti6 n GLY 48 Ca -0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 1ti6 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 49 N -0.95 1.68 -0.14 1.61 1.02 -0.38 -5.13 119.74 117.44 1ti6 s LYS 49 Ca 0.00 -1.77 0.02 0.00 0.02 0.00 0.00 55.97 54.24 1ti6 s LYS 49 Cb 0.00 -1.75 0.01 0.00 -0.52 0.00 0.00 37.83 35.56 1ti6 s LYS 49 CO 0.00 0.32 -0.20 0.99 -0.92 0.00 0.00 175.35 175.54 1ti6 s THR 50 N -2.52 2.22 -0.13 2.17 2.01 -1.26 -0.86 115.64 117.27 1ti6 s THR 50 Ca 0.30 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1ti6 s THR 50 Cb -0.05 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 1ti6 s THR 50 CO 0.15 0.54 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.12 1ti6 s PHE 51 N 0.80 2.79 -0.05 4.92 0.40 0.88 -4.95 117.98 122.78 1ti6 s PHE 51 Ca -0.07 -0.69 -0.03 0.00 -0.60 0.00 0.00 56.93 55.54 1ti6 s PHE 51 Cb -0.16 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.56 1ti6 s PHE 51 CO -0.01 -0.24 0.12 -0.08 0.70 0.00 0.00 175.22 175.71 1ti6 s THR 52 N 0.37 -0.02 0.73 0.64 -1.32 -1.26 -0.78 115.64 114.00 1ti6 s THR 52 Ca -0.11 0.07 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 1ti6 s THR 52 Cb -0.16 -0.19 0.03 0.00 -1.51 0.00 0.00 72.50 70.67 1ti6 s THR 52 CO 0.06 0.03 1.09 -2.16 -2.21 0.00 0.00 174.62 171.42 1ti6 s PRO 53 N 0.50 2.53 0.47 7.08 0.04 -1.26 -5.01 135.00 139.35 1ti6 s PRO 53 Ca -0.04 1.16 -0.24 0.00 0.04 0.00 0.00 61.00 61.93 1ti6 s PRO 53 Cb -0.05 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1ti6 s PRO 53 CO -0.02 -1.43 1.29 -2.14 0.04 0.00 0.00 177.00 174.73 1ti6 s PRO 54 N -4.77 3.61 -1.01 0.56 0.02 -1.26 -4.87 135.00 127.28 1ti6 s PRO 54 Ca 0.61 2.08 -0.08 0.00 0.02 0.00 0.00 61.00 63.63 1ti6 s PRO 54 Cb -0.17 -2.48 -0.16 0.00 0.02 0.00 0.00 34.50 31.72 1ti6 s PRO 54 CO 0.53 -0.76 3.21 0.54 -0.33 0.00 0.00 177.00 180.19 1ti6 n ARG 55 N -0.46 3.05 -3.48 5.54 5.12 -1.26 -4.78 116.66 120.38 1ti6 n ARG 55 Ca 0.07 -1.74 -0.13 0.00 -1.93 0.00 0.00 57.85 54.12 1ti6 n ARG 55 Cb 0.45 -2.49 -0.03 0.00 -1.16 0.00 0.00 32.46 29.22 1ti6 n ARG 55 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1ti6 s LYS 56 N 1.74 1.04 0.51 5.56 2.20 -1.26 -2.20 119.74 127.31 1ti6 s LYS 56 Ca 0.69 -0.16 0.08 0.00 -0.36 0.00 0.00 55.97 56.21 1ti6 s LYS 56 Cb 0.23 0.48 0.05 0.00 -1.51 0.00 0.00 37.83 37.08 1ti6 s LYS 56 CO -0.04 -0.41 0.69 0.95 -0.36 0.00 0.00 175.35 176.19 1ti6 s THR 57 N -2.61 2.58 0.15 3.43 -4.23 0.09 -5.00 115.64 110.05 1ti6 s THR 57 Ca -0.02 -0.96 0.05 0.00 -1.18 0.00 0.00 61.69 59.58 1ti6 s THR 57 Cb -0.01 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1ti6 s THR 57 CO -0.04 0.00 -0.11 -0.94 -0.54 0.00 0.00 174.62 172.99 1ti6 s SER 58 N -4.50 1.83 0.15 3.99 1.04 -1.26 -4.34 113.70 110.61 1ti6 s SER 58 Ca 0.59 -0.99 0.05 0.00 0.48 0.00 0.00 55.95 56.08 1ti6 s SER 58 Cb -0.08 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 1ti6 s SER 58 CO 0.36 -0.31 -0.12 0.27 0.98 0.00 0.00 173.24 174.43 1ti6 s ILE 59 N -3.18 1.30 0.48 -1.02 -4.36 -1.26 -4.54 121.20 108.62 1ti6 s ILE 59 Ca 0.16 -2.03 -0.04 0.00 -0.26 0.00 0.00 60.65 58.48 1ti6 s ILE 59 Cb 0.02 -1.83 -0.02 0.00 1.25 0.00 0.00 42.46 41.88 1ti6 s ILE 59 CO 0.01 -0.67 0.75 0.00 0.24 0.00 0.00 174.94 175.28 1ti6 s ALA 60 N -3.07 3.49 0.20 2.27 0.00 -0.78 -4.47 121.76 119.41 1ti6 s ALA 60 Ca 0.16 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 1ti6 s ALA 60 Cb 0.01 -2.44 0.26 0.00 0.00 0.00 0.00 23.12 20.94 1ti6 s ALA 60 CO 0.02 -0.40 1.70 -1.35 0.00 0.00 0.00 175.76 175.74 1ti6 h PRO 61 N 0.25 0.22 0.00 0.00 0.11 -1.92 -1.50 132.00 129.15 1ti6 h PRO 61 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ti6 h PRO 61 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ti6 h PRO 61 CO 0.61 0.14 0.00 0.10 -0.21 0.00 0.00 178.00 178.64 1ti6 h TYR 62 N 0.22 0.00 0.11 0.65 -0.00 -1.91 -2.04 116.97 114.00 1ti6 h TYR 62 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 58.73 58.69 1ti6 h TYR 62 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.15 1ti6 h TYR 62 CO -0.26 0.00 -1.78 1.15 -0.00 0.00 0.00 178.16 177.27 1ti6 h THR 63 N 0.00 0.86 -0.50 -0.90 2.02 -1.65 -2.99 112.91 109.76 1ti6 h THR 63 Ca 0.00 -2.56 0.02 0.00 0.77 0.00 0.00 66.41 64.64 1ti6 h THR 63 Cb 0.24 2.61 -0.03 0.00 -1.74 0.00 0.00 68.15 69.23 1ti6 h THR 63 CO 0.00 0.80 0.33 0.00 0.37 0.00 0.00 175.52 177.02 1ti6 h ALA 64 N 0.36 1.71 -0.37 6.16 0.00 -0.65 -1.98 119.26 124.49 1ti6 h ALA 64 Ca -0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ti6 h ALA 64 Cb 2.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1ti6 h ALA 64 CO 0.12 0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1ti6 n GLY 65 N -1.47 3.61 0.30 0.00 0.00 -0.97 -4.66 105.19 102.01 1ti6 n GLY 65 Ca 0.05 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.25 1ti6 n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ti6 h PHE 66 N 2.49 0.00 -0.67 1.61 3.57 -1.19 -2.18 116.94 120.57 1ti6 h PHE 66 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1ti6 h PHE 66 Cb 1.52 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.21 1ti6 h PHE 66 CO 0.63 0.00 0.44 -0.22 -2.23 0.00 0.00 178.31 176.94 1ti6 h LYS 67 N 0.00 0.43 0.00 1.11 3.64 -1.83 0.23 116.57 120.16 1ti6 h LYS 67 Ca 0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1ti6 h LYS 67 Cb 0.33 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1ti6 h LYS 67 CO -0.00 0.29 0.00 -1.13 -2.27 0.00 0.00 179.45 176.34 1ti6 n SER 68 N -4.48 0.19 -0.01 4.20 3.41 -0.82 -2.28 113.62 113.83 1ti6 n SER 68 Ca 0.11 0.54 -0.20 0.00 -0.26 0.00 0.00 58.87 59.07 1ti6 n SER 68 Cb 0.41 -0.58 -0.14 0.00 -0.26 0.00 0.00 64.21 63.64 1ti6 n SER 68 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1ti6 n MET 69 N -1.70 0.74 0.11 4.33 2.81 0.78 -3.22 117.12 120.97 1ti6 n MET 69 Ca 0.04 0.25 -0.13 0.00 -1.81 0.00 0.00 57.70 56.05 1ti6 n MET 69 Cb 0.21 -1.70 -0.08 0.00 -0.71 0.00 0.00 33.22 30.94 1ti6 n MET 69 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1ti6 h ILE 70 N 0.06 0.88 -0.43 2.02 2.04 -1.16 -2.69 117.51 118.23 1ti6 h ILE 70 Ca -0.42 -0.08 -0.12 0.00 1.00 0.00 0.00 64.86 65.23 1ti6 h ILE 70 Cb 2.03 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.96 1ti6 h ILE 70 CO 0.07 0.02 0.16 -1.22 0.00 0.00 0.00 178.15 177.18 1ti6 n TYR 71 N -5.16 1.43 -1.89 1.37 4.01 -0.97 -4.97 117.16 110.99 1ti6 n TYR 71 Ca -0.08 -0.77 -0.39 0.00 -0.16 0.00 0.00 57.90 56.49 1ti6 n TYR 71 Cb 0.12 -0.47 0.02 0.00 -0.31 0.00 0.00 39.34 38.70 1ti6 n TYR 71 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ti6 s SER 72 N -0.38 5.76 0.00 7.72 0.15 -1.02 -4.90 113.70 121.03 1ti6 s SER 72 Ca 0.32 2.74 0.30 0.00 0.70 0.00 0.00 55.95 60.01 1ti6 s SER 72 Cb 0.25 -2.64 1.44 0.00 -1.71 0.00 0.00 66.02 63.36 1ti6 s SER 72 CO 0.08 -1.23 1.98 -0.90 1.20 0.00 0.00 173.24 174.37 1ti6 n ASP 73 N -0.48 0.30 -1.23 5.45 5.75 -1.26 -2.58 116.55 122.50 1ti6 n ASP 73 Ca 0.07 -0.60 0.12 0.00 -0.01 0.00 0.00 54.79 54.37 1ti6 n ASP 73 Cb 0.44 -0.11 0.27 0.00 -1.03 0.00 0.00 41.12 40.69 1ti6 n ASP 73 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1ti6 n LEU 74 N -0.99 3.62 -4.74 -2.12 4.77 -1.26 -4.92 117.00 111.36 1ti6 n LEU 74 Ca 0.17 -1.69 -0.41 0.00 -0.03 0.00 0.00 56.01 54.04 1ti6 n LEU 74 Cb 0.24 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1ti6 n LEU 74 CO 0.22 0.85 1.07 -0.60 -1.33 0.00 0.00 177.39 177.59 1ti6 s ARG 75 N -1.27 4.31 -0.14 3.23 6.06 -1.07 0.06 118.95 130.13 1ti6 s ARG 75 Ca 0.43 2.20 -0.29 0.00 -2.50 0.00 0.00 55.73 55.57 1ti6 s ARG 75 Cb 0.24 -3.16 -0.05 0.00 0.06 0.00 0.00 34.95 32.05 1ti6 s ARG 75 CO 0.32 -0.37 1.79 0.42 -2.50 0.00 0.00 175.30 174.95 1ti6 s ILE 76 N 0.22 3.43 0.19 4.11 1.01 -0.42 -4.74 121.20 125.00 1ti6 s ILE 76 Ca 0.60 0.50 -0.10 0.00 0.00 0.00 0.00 60.65 61.65 1ti6 s ILE 76 Cb -0.40 -3.41 0.10 0.00 0.01 0.00 0.00 42.46 38.76 1ti6 s ILE 76 CO 0.39 -0.15 1.72 -0.65 0.00 0.00 0.00 174.94 176.26 1ti6 h PRO 77 N 11.16 1.06 -2.37 2.79 0.11 -1.91 -3.43 132.00 139.41 1ti6 h PRO 77 Ca -0.39 -0.24 0.19 0.00 0.11 0.00 0.00 66.00 65.68 1ti6 h PRO 77 Cb 1.19 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 1ti6 h PRO 77 CO 0.97 0.93 0.61 1.52 -0.21 0.00 0.00 178.00 181.83 1ti6 s TYR 78 N -5.38 0.02 0.29 0.65 -0.85 -1.26 -0.87 117.35 109.94 1ti6 s TYR 78 Ca -0.12 -0.35 -0.30 0.00 -0.52 0.00 0.00 57.07 55.78 1ti6 s TYR 78 Cb 0.14 0.66 -0.12 0.00 0.38 0.00 0.00 41.96 43.02 1ti6 s TYR 78 CO 0.83 -0.80 1.47 -2.30 -1.52 0.00 0.00 175.55 173.24 1ti6 n PRO 79 N -0.65 2.37 -4.23 -3.49 -0.02 -1.26 -4.64 135.00 123.09 1ti6 n PRO 79 Ca -0.03 0.84 -0.21 0.00 -2.02 0.00 0.00 63.50 62.08 1ti6 n PRO 79 Cb 0.60 -2.54 -0.12 0.00 -0.02 0.00 0.00 33.50 31.42 1ti6 n PRO 79 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1ti6 s MET 80 N -0.78 0.96 -0.03 -0.52 -1.94 -0.75 -1.72 119.30 114.53 1ti6 s MET 80 Ca 0.64 -1.06 0.03 0.00 -1.71 0.00 0.00 55.69 53.59 1ti6 s MET 80 Cb -0.56 -1.08 -0.00 0.00 2.01 0.00 0.00 34.83 35.19 1ti6 s MET 80 CO 0.52 0.25 -0.11 0.21 -0.01 0.00 0.00 175.02 175.87 1ti6 s LYS 81 N -1.85 1.15 -0.09 2.03 2.20 -0.25 -0.59 119.74 122.33 1ti6 s LYS 81 Ca 0.02 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 1ti6 s LYS 81 Cb -0.10 -1.05 -0.05 0.00 -1.51 0.00 0.00 37.83 35.12 1ti6 s LYS 81 CO 0.03 0.17 1.63 0.50 -0.36 0.00 0.00 175.35 177.32 1ti6 s ARG 82 N 0.06 4.12 0.24 4.03 3.52 0.58 -1.30 118.95 130.20 1ti6 s ARG 82 Ca -0.02 2.08 -0.06 0.00 -0.13 0.00 0.00 55.73 57.61 1ti6 s ARG 82 Cb -0.08 -3.98 0.43 0.00 -1.56 0.00 0.00 34.95 29.75 1ti6 s ARG 82 CO 0.01 -0.91 1.71 0.87 -0.81 0.00 0.00 175.30 176.17 1ti6 h LYS 83 N 9.66 0.34 0.00 5.12 1.57 -1.40 -0.96 116.57 130.91 1ti6 h LYS 83 Ca -0.38 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1ti6 h LYS 83 Cb 1.17 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1ti6 h LYS 83 CO 0.96 0.23 0.00 -1.13 -0.57 0.00 0.00 179.45 178.94 1ti6 n SER 84 N -5.07 0.00 -4.43 0.86 3.41 -1.26 -4.70 113.62 102.43 1ti6 n SER 84 Ca 0.13 -1.11 -0.40 0.00 -0.26 0.00 0.00 58.87 57.24 1ti6 n SER 84 Cb 0.41 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 1ti6 n SER 84 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ti6 s PHE 85 N -2.00 3.20 -0.31 7.33 5.36 -0.37 -4.28 117.98 126.91 1ti6 s PHE 85 Ca 0.17 -0.63 0.04 0.00 -0.96 0.00 0.00 56.93 55.55 1ti6 s PHE 85 Cb 0.08 -2.40 0.09 0.00 -0.34 0.00 0.00 43.02 40.44 1ti6 s PHE 85 CO 0.13 -0.50 -0.00 0.34 -1.46 0.00 0.00 175.22 173.73 1ti6 s ASP 86 N 1.61 4.66 0.33 6.13 2.15 -0.91 -4.87 116.67 125.76 1ti6 s ASP 86 Ca 0.04 -1.90 0.11 0.00 0.43 0.00 0.00 52.55 51.23 1ti6 s ASP 86 Cb -0.18 -1.60 0.93 0.00 -0.30 0.00 0.00 42.92 41.77 1ti6 s ASP 86 CO 0.07 -0.32 1.72 -0.65 -0.17 0.00 0.00 175.17 175.83 1ti6 h PRO 87 N 7.67 0.52 -0.74 4.34 0.11 -1.96 0.13 132.00 142.06 1ti6 h PRO 87 Ca -0.09 -0.03 -0.32 0.00 0.11 0.00 0.00 66.00 65.67 1ti6 h PRO 87 Cb 1.03 -0.12 -0.19 0.00 0.11 0.00 0.00 31.00 31.83 1ti6 h PRO 87 CO 0.50 0.34 0.34 0.09 -0.21 0.00 0.00 178.00 179.07 1ti6 n ASN 88 N -4.89 3.86 0.00 -2.05 4.13 -1.26 -4.94 115.26 110.12 1ti6 n ASN 88 Ca 0.28 -3.48 0.00 0.00 1.68 0.00 0.00 54.58 53.05 1ti6 n ASN 88 Cb 0.79 -0.75 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 1ti6 n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ti6 n GLY 89 N -0.78 3.58 3.64 7.41 0.00 0.03 -5.10 105.19 113.97 1ti6 n GLY 89 Ca 0.46 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 1ti6 n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ti6 s GLU 90 N 4.39 4.11 0.28 1.61 0.41 -1.25 -4.84 118.70 123.42 1ti6 s GLU 90 Ca 0.00 1.15 0.24 0.00 -0.41 0.00 0.00 54.97 55.94 1ti6 s GLU 90 Cb 0.00 -3.71 0.40 0.00 -1.78 0.00 0.00 34.13 29.04 1ti6 s GLU 90 CO 0.00 -0.84 1.50 0.00 -0.49 0.00 0.00 175.26 175.43 1ti6 h ARG 91 N 7.94 0.00 -6.82 1.61 3.08 -1.83 -2.43 114.38 115.94 1ti6 h ARG 91 Ca -0.20 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.32 1ti6 h ARG 91 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1ti6 h ARG 91 CO 1.02 0.00 -1.05 0.09 -1.07 0.00 0.00 179.97 178.96 1ti6 n ASN 92 N -2.64 -4.58 0.17 7.04 3.02 -1.26 -4.47 115.26 112.55 1ti6 n ASN 92 Ca 0.04 -1.11 0.07 0.00 -0.03 0.00 0.00 54.58 53.54 1ti6 n ASN 92 Cb 0.49 -1.72 0.57 0.00 -0.61 0.00 0.00 39.78 38.51 1ti6 n ASN 92 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1ti6 h PRO 93 N -1.32 0.18 0.00 3.52 0.11 -1.89 -1.59 132.00 131.01 1ti6 h PRO 93 Ca -0.67 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.43 1ti6 h PRO 93 Cb 1.40 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1ti6 h PRO 93 CO 0.43 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 178.35 1ti6 n GLN 94 N -4.51 0.12 -0.06 1.05 0.00 -1.25 -2.49 117.38 110.23 1ti6 n GLN 94 Ca -0.01 0.17 0.12 0.00 0.00 0.00 0.00 57.00 57.29 1ti6 n GLN 94 Cb 0.08 -1.50 0.18 0.00 0.00 0.00 0.00 30.24 29.00 1ti6 n GLN 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ti6 n LEU 95 N -1.39 2.96 -4.71 2.61 4.77 -0.60 -4.84 117.00 115.81 1ti6 n LEU 95 Ca 0.06 -1.09 -0.42 0.00 -0.03 0.00 0.00 56.01 54.53 1ti6 n LEU 95 Cb 0.16 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1ti6 n LEU 95 CO 0.14 0.55 1.18 -0.13 -1.33 0.00 0.00 177.39 177.79 1ti6 s ARG 96 N -1.84 4.26 0.00 3.23 0.52 -1.04 -1.54 118.95 122.53 1ti6 s ARG 96 Ca 0.32 2.20 0.00 0.00 -0.52 0.00 0.00 55.73 57.73 1ti6 s ARG 96 Cb 0.21 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 32.33 1ti6 s ARG 96 CO 0.31 -0.57 0.00 0.41 0.02 0.00 0.00 175.30 175.47 1ti6 n GLY 97 N 3.70 0.64 0.37 -3.53 0.00 -1.21 -4.76 105.19 100.40 1ti6 n GLY 97 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ti6 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti6 h ALA 98 N 0.00 1.39 -0.47 4.61 0.00 -1.57 -0.82 119.26 122.40 1ti6 h ALA 98 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ti6 h ALA 98 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1ti6 h ALA 98 CO 0.00 0.53 0.19 0.78 0.00 0.00 0.00 179.25 180.76 1ti6 h GLY 99 N 1.18 0.76 1.37 0.00 0.00 -1.82 -2.22 103.07 102.34 1ti6 h GLY 99 Ca 0.35 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1ti6 h GLY 99 CO -0.10 0.38 0.39 -2.00 0.00 0.00 0.00 176.54 175.22 1ti6 h LEU 100 N 0.62 0.74 -0.30 3.11 5.85 -1.58 0.20 115.31 123.95 1ti6 h LEU 100 Ca 0.16 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1ti6 h LEU 100 Cb 0.18 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1ti6 h LEU 100 CO -0.01 0.56 0.00 -1.20 -0.34 0.00 0.00 178.44 177.45 1ti6 n SER 101 N -4.42 0.34 -0.19 1.25 7.64 -0.38 -2.09 113.62 115.78 1ti6 n SER 101 Ca 0.06 0.58 0.10 0.00 1.01 0.00 0.00 58.87 60.61 1ti6 n SER 101 Cb 0.06 -0.65 0.16 0.00 -1.01 0.00 0.00 64.21 62.77 1ti6 n SER 101 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ti6 n LYS 102 N -1.87 1.46 -2.95 1.43 2.85 -0.55 -4.14 118.16 114.40 1ti6 n LYS 102 Ca 0.03 -2.65 -0.22 0.00 -1.05 0.00 0.00 58.31 54.43 1ti6 n LYS 102 Cb 0.23 -1.54 0.02 0.00 -0.65 0.00 0.00 35.03 33.08 1ti6 n LYS 102 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1ti6 n GLN 103 N -1.33 -4.06 -3.05 -1.58 3.00 -0.89 -4.94 117.38 104.54 1ti6 n GLN 103 Ca 0.17 0.85 -0.18 0.00 -0.01 0.00 0.00 57.00 57.82 1ti6 n GLN 103 Cb 0.67 -5.65 -0.03 0.00 0.00 0.00 0.00 30.24 25.24 1ti6 n GLN 103 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1ti6 n ASP 104 N -2.38 -1.12 -0.08 1.08 -0.08 0.59 -5.00 116.55 109.57 1ti6 n ASP 104 Ca -0.12 -2.86 -0.07 0.00 -1.51 0.00 0.00 54.79 50.23 1ti6 n ASP 104 Cb 0.62 0.31 -0.00 0.00 2.34 0.00 0.00 41.12 44.39 1ti6 n ASP 104 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ti6 h PRO 105 N 4.25 -0.10 -0.01 -0.67 0.11 -1.89 -2.87 132.00 130.82 1ti6 h PRO 105 Ca 0.02 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1ti6 h PRO 105 Cb 0.95 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1ti6 h PRO 105 CO 0.38 -0.07 0.01 -1.49 -0.21 0.00 0.00 178.00 176.62 1ti6 h TRP 106 N -0.11 0.00 0.00 0.65 4.06 -1.96 -2.63 115.95 115.97 1ti6 h TRP 106 Ca 0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.11 1ti6 h TRP 106 Cb 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1ti6 h TRP 106 CO -0.36 0.00 0.00 -1.13 -3.56 0.00 0.00 178.44 173.39 1ti6 n SER 107 N -4.22 0.25 0.09 -3.49 3.41 -1.08 -2.06 113.62 106.51 1ti6 n SER 107 Ca -0.03 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1ti6 n SER 107 Cb 0.09 -0.62 0.34 0.00 -0.26 0.00 0.00 64.21 63.76 1ti6 n SER 107 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ti6 n ASP 108 N -1.79 0.78 -4.47 4.04 9.92 -0.99 -4.92 116.55 119.11 1ti6 n ASP 108 Ca 0.02 0.45 -0.26 0.00 -0.53 0.00 0.00 54.79 54.46 1ti6 n ASP 108 Cb 0.13 -0.53 -0.11 0.00 -0.64 0.00 0.00 41.12 39.97 1ti6 n ASP 108 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1ti6 s TYR 109 N -3.12 2.39 0.13 1.24 1.51 -0.87 -0.98 117.35 117.66 1ti6 s TYR 109 Ca 0.09 -0.32 0.07 0.00 -1.01 0.00 0.00 57.07 55.91 1ti6 s TYR 109 Cb 0.13 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1ti6 s TYR 109 CO 0.63 0.54 -0.16 -1.83 -1.11 0.00 0.00 175.55 173.62 1ti6 s GLU 110 N -2.89 1.11 0.32 -0.62 -1.05 -0.42 -4.88 118.70 110.28 1ti6 s GLU 110 Ca 0.24 -1.28 -0.26 0.00 -0.15 0.00 0.00 54.97 53.52 1ti6 s GLU 110 Cb -0.08 -1.08 -0.10 0.00 -0.44 0.00 0.00 34.13 32.43 1ti6 s GLU 110 CO 0.12 0.22 0.95 0.50 0.95 0.00 0.00 175.26 178.00 1ti6 s ARG 111 N -2.61 4.57 0.07 -4.83 3.52 -1.26 -1.09 118.95 117.33 1ti6 s ARG 111 Ca 0.10 1.35 -0.06 0.00 -0.13 0.00 0.00 55.73 57.00 1ti6 s ARG 111 Cb -0.06 -2.81 -0.02 0.00 -1.56 0.00 0.00 34.95 30.50 1ti6 s ARG 111 CO 0.04 0.27 0.10 0.96 -0.81 0.00 0.00 175.30 175.86 1ti6 s ILE 112 N -1.59 0.17 0.79 4.11 -4.36 -0.70 -4.88 121.20 114.74 1ti6 s ILE 112 Ca 0.50 -1.43 -0.12 0.00 -0.26 0.00 0.00 60.65 59.35 1ti6 s ILE 112 Cb -0.19 -1.41 0.06 0.00 1.25 0.00 0.00 42.46 42.17 1ti6 s ILE 112 CO 0.25 -0.79 1.11 -0.94 0.24 0.00 0.00 174.94 174.81 1ti6 s SER 113 N -2.88 4.63 0.28 4.36 1.04 -1.26 -3.98 113.70 115.89 1ti6 s SER 113 Ca 0.06 1.17 0.02 0.00 0.48 0.00 0.00 55.95 57.68 1ti6 s SER 113 Cb 0.06 -1.88 0.42 0.00 0.10 0.00 0.00 66.02 64.72 1ti6 s SER 113 CO -0.11 -1.86 1.74 -0.50 0.98 0.00 0.00 173.24 173.49 1ti6 h TRP 114 N -1.02 0.58 -0.32 5.02 4.06 -1.98 -1.18 115.95 121.11 1ti6 h TRP 114 Ca -0.47 -0.11 -0.03 0.00 2.06 0.00 0.00 58.89 60.34 1ti6 h TRP 114 Cb 1.28 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 29.28 1ti6 h TRP 114 CO 0.44 0.69 0.09 0.22 -3.56 0.00 0.00 178.44 176.32 1ti6 h ASP 115 N 0.47 0.47 -0.32 -3.49 3.58 -1.99 -0.76 116.42 114.39 1ti6 h ASP 115 Ca 0.07 -0.21 -0.14 0.00 0.42 0.00 0.00 57.03 57.17 1ti6 h ASP 115 Cb 0.62 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 1ti6 h ASP 115 CO 0.04 0.56 -0.36 -0.08 -2.88 0.00 0.00 179.24 176.52 1ti6 h GLU 116 N 0.36 0.81 0.02 0.28 4.81 -1.91 -1.75 114.58 117.19 1ti6 h GLU 116 Ca 0.10 -0.44 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1ti6 h GLU 116 Cb 0.26 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1ti6 h GLU 116 CO -0.00 1.08 -0.01 0.00 -0.73 0.00 0.00 179.01 179.35 1ti6 h ALA 117 N 0.72 -0.02 -0.14 2.92 0.00 -1.15 -1.19 119.26 120.40 1ti6 h ALA 117 Ca 0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1ti6 h ALA 117 Cb 0.95 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ti6 h ALA 117 CO 0.09 -0.50 -0.23 1.79 0.00 0.00 0.00 179.25 180.39 1ti6 h THR 118 N -0.05 1.23 -0.46 0.00 1.35 -1.17 -2.04 112.91 111.77 1ti6 h THR 118 Ca -0.00 -1.07 -0.05 0.00 -0.55 0.00 0.00 66.41 64.74 1ti6 h THR 118 Cb 0.04 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 1ti6 h THR 118 CO 0.00 0.33 0.10 0.44 -0.25 0.00 0.00 175.52 176.14 1ti6 h ASP 119 N 0.23 0.71 -0.49 5.36 5.19 -0.97 -0.44 116.42 126.01 1ti6 h ASP 119 Ca 0.04 -0.24 -0.05 0.00 -0.62 0.00 0.00 57.03 56.16 1ti6 h ASP 119 Cb 0.54 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 1ti6 h ASP 119 CO 0.04 0.77 0.13 0.40 -3.12 0.00 0.00 179.24 177.45 1ti6 h ILE 120 N 0.62 1.24 -0.22 0.35 2.04 -0.90 -1.45 117.51 119.18 1ti6 h ILE 120 Ca 0.14 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1ti6 h ILE 120 Cb 0.35 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1ti6 h ILE 120 CO 0.00 0.29 0.06 0.58 0.00 0.00 0.00 178.15 179.09 1ti6 h VAL 121 N 0.66 1.20 -0.90 1.67 2.07 -1.25 -2.50 116.25 117.21 1ti6 h VAL 121 Ca 0.15 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1ti6 h VAL 121 Cb 0.31 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1ti6 h VAL 121 CO -0.00 0.20 0.59 0.58 0.02 0.00 0.00 177.57 178.97 1ti6 h VAL 122 N 0.19 1.21 -0.87 2.57 2.07 -0.99 -0.50 116.25 119.92 1ti6 h VAL 122 Ca 0.07 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1ti6 h VAL 122 Cb 0.26 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 1ti6 h VAL 122 CO -0.00 0.22 0.47 0.00 0.02 0.00 0.00 177.57 178.28 1ti6 h ALA 123 N 1.34 1.19 -0.06 1.67 0.00 -1.13 -1.45 119.26 120.81 1ti6 h ALA 123 Ca 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ti6 h ALA 123 Cb -0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.34 1ti6 h ALA 123 CO -0.09 0.65 -0.02 0.93 0.00 0.00 0.00 179.25 180.72 1ti6 h GLU 124 N 1.22 0.13 -0.05 0.00 4.39 -0.94 -1.68 114.58 117.65 1ti6 h GLU 124 Ca 0.31 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.99 1ti6 h GLU 124 Cb 0.04 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 1ti6 h GLU 124 CO -0.05 0.49 -0.28 0.82 -1.16 0.00 0.00 179.01 178.84 1ti6 h ILE 125 N -0.23 0.37 -0.77 3.13 2.04 -0.92 -0.16 117.51 120.97 1ti6 h ILE 125 Ca 0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1ti6 h ILE 125 Cb 0.45 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1ti6 h ILE 125 CO 0.01 0.00 0.31 0.78 0.00 0.00 0.00 178.15 179.25 1ti6 h ASN 126 N -0.39 1.06 -0.39 1.72 2.35 -1.31 0.10 115.58 118.73 1ti6 h ASN 126 Ca 0.08 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1ti6 h ASN 126 Cb 0.50 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1ti6 h ASN 126 CO -0.27 0.94 0.16 -0.09 -1.65 0.00 0.00 177.43 176.52 1ti6 h ARG 127 N 1.12 0.58 -0.35 0.81 2.43 -0.98 -2.11 114.38 115.88 1ti6 h ARG 127 Ca 0.26 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 1ti6 h ARG 127 Cb 0.21 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1ti6 h ARG 127 CO -0.02 0.55 -0.31 0.82 -1.51 0.00 0.00 179.97 179.49 1ti6 h ILE 128 N 0.48 1.28 -0.53 1.20 2.04 -0.80 -2.02 117.51 119.16 1ti6 h ILE 128 Ca 0.13 -1.45 -0.10 0.00 1.00 0.00 0.00 64.86 64.44 1ti6 h ILE 128 Cb 0.18 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1ti6 h ILE 128 CO -0.01 0.48 -0.06 0.11 0.00 0.00 0.00 178.15 178.66 1ti6 h LYS 129 N 0.64 0.96 0.00 2.37 1.57 -0.66 0.22 116.57 121.67 1ti6 h LYS 129 Ca 0.07 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1ti6 h LYS 129 Cb 0.84 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1ti6 h LYS 129 CO 0.07 0.98 -0.10 0.45 -0.57 0.00 0.00 179.45 180.29 1ti6 h HIS 130 N 0.87 0.00 0.02 -1.35 3.86 -1.34 -1.55 115.15 115.66 1ti6 h HIS 130 Ca 0.15 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.98 1ti6 h HIS 130 Cb 0.60 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.01 1ti6 h HIS 130 CO 0.04 0.00 -2.31 0.00 0.86 0.00 0.00 177.93 176.52 1ti6 n ALA 131 N -1.94 1.36 0.00 2.45 0.00 -0.77 -4.78 120.51 116.83 1ti6 n ALA 131 Ca 0.04 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1ti6 n ALA 131 Cb 0.48 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1ti6 n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ti6 n TYR 132 N -3.16 0.00 0.00 0.00 4.01 0.71 -5.08 117.16 113.64 1ti6 n TYR 132 Ca -0.38 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 1ti6 n TYR 132 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1ti6 n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ti6 n GLY 133 N 1.66 2.06 0.33 2.72 0.00 -0.58 -4.58 105.19 106.80 1ti6 n GLY 133 Ca 0.00 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.18 1ti6 n GLY 133 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ti6 h PRO 134 N 0.00 0.18 0.00 1.61 0.11 -1.85 -2.12 132.00 129.93 1ti6 h PRO 134 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ti6 h PRO 134 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1ti6 h PRO 134 CO 0.00 0.12 0.00 0.66 -0.21 0.00 0.00 178.00 178.57 1ti6 h SER 135 N 0.19 0.00 0.57 -2.05 4.64 -1.86 -1.34 113.55 113.70 1ti6 h SER 135 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1ti6 h SER 135 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1ti6 h SER 135 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 1ti6 n ALA 136 N -2.05 2.11 -3.03 5.18 0.00 -0.80 -4.21 120.51 117.72 1ti6 n ALA 136 Ca -0.02 -0.10 -0.45 0.00 0.00 0.00 0.00 53.44 52.88 1ti6 n ALA 136 Cb 0.15 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.16 1ti6 n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ti6 s ILE 137 N -2.75 5.22 0.27 0.00 1.01 -0.50 -0.52 121.20 123.93 1ti6 s ILE 137 Ca 0.17 -1.22 -0.18 0.00 0.00 0.00 0.00 60.65 59.42 1ti6 s ILE 137 Cb 0.15 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 1ti6 s ILE 137 CO 0.37 -0.69 0.75 -0.22 0.00 0.00 0.00 174.94 175.16 1ti6 s LEU 138 N 1.63 4.22 -0.08 2.97 2.96 0.14 -0.72 118.68 129.80 1ti6 s LEU 138 Ca 0.04 1.41 -0.29 0.00 -0.22 0.00 0.00 54.13 55.06 1ti6 s LEU 138 Cb -0.26 -3.84 0.07 0.00 0.50 0.00 0.00 46.19 42.66 1ti6 s LEU 138 CO 0.05 -0.08 0.66 -0.55 -1.32 0.00 0.00 176.35 175.12 1ti6 s SER 139 N -1.90 -0.65 -0.29 3.68 0.15 -0.82 0.14 113.70 114.02 1ti6 s SER 139 Ca 0.48 0.79 -0.18 0.00 0.70 0.00 0.00 55.95 57.74 1ti6 s SER 139 Cb -0.14 0.66 0.14 0.00 -1.71 0.00 0.00 66.02 64.96 1ti6 s SER 139 CO 0.19 -0.55 0.96 0.28 1.20 0.00 0.00 173.24 175.33 1ti6 s THR 140 N -0.97 0.00 0.00 6.45 -1.32 -1.14 -2.36 115.64 116.31 1ti6 s THR 140 Ca -0.10 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1ti6 s THR 140 Cb -0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1ti6 s THR 140 CO 0.08 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.68 1ti6 n PRO 141 N 3.48 2.61 -4.17 7.08 -0.04 -1.26 -2.47 135.00 140.23 1ti6 n PRO 141 Ca -0.18 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.12 1ti6 n PRO 141 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.98 1ti6 n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ti6 s SER 142 N -1.00 1.29 0.16 3.54 0.15 -1.26 -4.77 113.70 111.81 1ti6 s SER 142 Ca 0.00 -1.62 -0.16 0.00 0.70 0.00 0.00 55.95 54.87 1ti6 s SER 142 Cb 0.00 0.63 0.07 0.00 -1.71 0.00 0.00 66.02 65.01 1ti6 s SER 142 CO 0.00 -1.22 1.74 0.28 1.20 0.00 0.00 173.24 175.24 1ti6 h SER 143 N 2.10 0.07 -1.40 5.45 0.02 -2.00 -3.45 113.55 114.35 1ti6 h SER 143 Ca -0.27 0.05 -0.51 0.00 -0.84 0.00 0.00 61.79 60.22 1ti6 h SER 143 Cb 1.24 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.79 1ti6 h SER 143 CO 0.38 0.08 -0.38 -1.00 -1.14 0.00 0.00 176.83 174.77 1ti6 s HIS 144 N -6.16 2.55 0.23 3.45 3.76 -1.26 -5.09 115.29 112.76 1ti6 s HIS 144 Ca -0.13 -0.55 -0.22 0.00 -0.15 0.00 0.00 55.06 54.01 1ti6 s HIS 144 Cb 0.12 -2.12 0.04 0.00 1.11 0.00 0.00 32.58 31.73 1ti6 s HIS 144 CO 0.71 -0.15 0.71 -1.58 -0.85 0.00 0.00 174.74 173.58 1ti6 s HIS 145 N -2.53 -0.29 0.46 1.40 5.04 -1.26 -5.05 115.29 113.06 1ti6 s HIS 145 Ca 0.46 -0.07 -0.25 0.00 -1.54 0.00 0.00 55.06 53.67 1ti6 s HIS 145 Cb -0.02 0.65 -0.08 0.00 0.04 0.00 0.00 32.58 33.18 1ti6 s HIS 145 CO 0.27 -1.07 1.37 -1.64 -2.34 0.00 0.00 174.74 171.33 1ti6 s MET 146 N -3.80 3.64 0.42 2.88 -1.94 -1.26 -4.85 119.30 114.39 1ti6 s MET 146 Ca 0.08 2.29 -0.25 0.00 -1.71 0.00 0.00 55.69 56.10 1ti6 s MET 146 Cb -0.04 -2.59 -0.08 0.00 2.01 0.00 0.00 34.83 34.13 1ti6 s MET 146 CO 0.00 -0.81 1.24 -0.46 -0.01 0.00 0.00 175.02 174.99 1ti6 s TRP 147 N -1.25 2.88 0.00 -0.03 -0.11 -1.26 -4.76 118.94 114.41 1ti6 s TRP 147 Ca 0.62 1.47 0.00 0.00 1.22 0.00 0.00 56.10 59.42 1ti6 s TRP 147 Cb -0.41 -3.55 0.00 0.00 -1.50 0.00 0.00 33.47 28.01 1ti6 s TRP 147 CO 0.52 -1.80 0.00 0.41 -4.62 0.00 0.00 176.95 171.46 1ti6 n GLY 148 N 0.64 3.16 0.25 5.86 0.00 -1.26 -4.75 105.19 109.09 1ti6 n GLY 148 Ca 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 1ti6 n GLY 148 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ti6 h ASN 149 N 0.00 0.69 -0.32 1.61 4.21 -1.68 -1.40 115.58 118.69 1ti6 h ASN 149 Ca 0.00 -0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.44 1ti6 h ASN 149 Cb 0.00 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.03 1ti6 h ASN 149 CO 0.00 0.49 -0.01 0.58 -1.29 0.00 0.00 177.43 177.20 1ti6 h VAL 150 N 0.81 1.26 -0.02 2.81 2.07 -1.95 -3.11 116.25 118.13 1ti6 h VAL 150 Ca 0.24 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1ti6 h VAL 150 Cb -0.06 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1ti6 h VAL 150 CO -0.07 0.32 0.00 0.61 0.02 0.00 0.00 177.57 178.46 1ti6 n GLY 151 N -0.30 -0.34 3.73 2.17 0.00 -1.20 -2.91 105.19 106.33 1ti6 n GLY 151 Ca -0.02 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 1ti6 n GLY 151 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ti6 s TYR 152 N -1.99 2.12 0.45 1.61 5.04 -0.53 -4.49 117.35 119.55 1ti6 s TYR 152 Ca 0.41 1.57 0.18 0.00 -2.44 0.00 0.00 57.07 56.79 1ti6 s TYR 152 Cb 0.21 -3.49 1.12 0.00 0.35 0.00 0.00 41.96 40.15 1ti6 s TYR 152 CO 0.34 -2.57 1.93 0.07 -1.34 0.00 0.00 175.55 173.98 1ti6 h ARG 153 N -0.03 0.33 0.00 4.97 0.11 -1.90 0.20 114.38 118.06 1ti6 h ARG 153 Ca -0.48 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1ti6 h ARG 153 Cb 1.30 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1ti6 h ARG 153 CO 0.51 0.22 0.00 0.45 0.10 0.00 0.00 179.97 181.25 1ti6 h HIS 154 N 0.34 0.00 0.00 4.08 3.86 -1.90 -2.83 115.15 118.70 1ti6 h HIS 154 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1ti6 h HIS 154 Cb 0.91 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1ti6 h HIS 154 CO -0.00 0.00 0.00 0.45 0.86 0.00 0.00 177.93 179.24 1ti6 n SER 155 N -2.63 0.00 0.14 2.45 2.88 0.63 -4.52 113.62 112.58 1ti6 n SER 155 Ca 0.01 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.42 1ti6 n SER 155 Cb 0.27 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.65 1ti6 n SER 155 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ti6 h THR 156 N 0.00 0.80 -0.03 2.46 2.02 -1.23 -1.76 112.91 115.17 1ti6 h THR 156 Ca 0.00 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.05 1ti6 h THR 156 Cb 0.00 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 1ti6 h THR 156 CO 0.00 0.04 -0.41 0.22 0.37 0.00 0.00 175.52 175.74 1ti6 h TYR 157 N -0.39 -1.17 -0.58 3.16 3.20 -1.69 -2.51 116.97 116.99 1ti6 h TYR 157 Ca -0.03 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1ti6 h TYR 157 Cb 0.30 0.52 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 1ti6 h TYR 157 CO -0.04 -0.49 0.32 0.74 -1.64 0.00 0.00 178.16 177.05 1ti6 h PHE 158 N -0.55 0.80 -0.77 -3.82 0.05 -1.53 -0.65 116.94 110.48 1ti6 h PHE 158 Ca 0.05 -0.02 0.13 0.00 3.82 0.00 0.00 57.97 61.96 1ti6 h PHE 158 Cb 0.64 -0.26 -0.09 0.00 2.00 0.00 0.00 35.95 38.25 1ti6 h PHE 158 CO -0.43 0.58 0.35 -0.09 -0.18 0.00 0.00 178.31 178.54 1ti6 h ARG 159 N 0.79 0.51 0.17 1.51 2.43 -1.01 0.40 114.38 119.18 1ti6 h ARG 159 Ca 0.20 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1ti6 h ARG 159 Cb 0.05 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1ti6 h ARG 159 CO -0.03 0.34 -0.08 0.35 -1.51 0.00 0.00 179.97 179.03 1ti6 h PHE 160 N 0.52 -0.22 -0.88 2.20 3.57 -1.23 -3.31 116.94 117.59 1ti6 h PHE 160 Ca 0.41 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.07 1ti6 h PHE 160 Cb 0.58 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.32 1ti6 h PHE 160 CO -0.13 0.07 0.57 0.52 -2.23 0.00 0.00 178.31 177.11 1ti6 h MET 161 N -1.00 0.58 0.00 1.11 2.86 -0.98 0.10 114.93 117.60 1ti6 h MET 161 Ca -0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1ti6 h MET 161 Cb 0.39 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1ti6 h MET 161 CO 0.04 0.38 -0.11 -0.91 1.06 0.00 0.00 176.91 177.37 1ti6 h ASN 162 N 0.60 0.00 0.14 1.22 -0.26 -1.04 -0.96 115.58 115.28 1ti6 h ASN 162 Ca 0.45 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.19 1ti6 h ASN 162 Cb 0.85 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.11 1ti6 h ASN 162 CO -0.20 0.11 -0.38 0.23 -1.06 0.00 0.00 177.43 176.13 1ti6 n MET 163 N -3.80 0.91 -0.03 0.81 2.81 0.31 -4.62 117.12 113.51 1ti6 n MET 163 Ca -0.02 -0.64 -0.06 0.00 -1.81 0.00 0.00 57.70 55.17 1ti6 n MET 163 Cb 0.22 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.22 1ti6 n MET 163 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1ti6 n MET 164 N -0.49 0.30 0.00 0.03 0.00 -0.57 -5.10 117.12 111.29 1ti6 n MET 164 Ca 0.10 0.12 0.00 0.00 -0.00 0.00 0.00 57.70 57.93 1ti6 n MET 164 Cb 0.39 -1.03 0.00 0.00 0.00 0.00 0.00 33.22 32.58 1ti6 n MET 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ti6 n GLY 165 N 2.31 1.97 3.61 -5.12 0.00 -0.47 -4.92 105.19 102.56 1ti6 n GLY 165 Ca -0.10 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.83 1ti6 n GLY 165 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ti6 s PHE 166 N 4.01 -0.05 -0.35 1.61 -0.12 -1.25 -4.82 117.98 117.01 1ti6 s PHE 166 Ca 0.00 -0.02 -0.12 0.00 -0.05 0.00 0.00 56.93 56.73 1ti6 s PHE 166 Cb 0.00 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1ti6 s PHE 166 CO 0.00 -0.21 0.23 0.99 -0.05 0.00 0.00 175.22 176.18 1ti6 s THR 167 N -2.34 5.11 0.11 -4.49 2.01 0.10 -4.42 115.64 111.73 1ti6 s THR 167 Ca 0.13 -0.36 -0.24 0.00 0.31 0.00 0.00 61.69 61.53 1ti6 s THR 167 Cb 0.04 -3.67 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 1ti6 s THR 167 CO -0.04 -0.05 0.75 -0.47 -0.69 0.00 0.00 174.62 174.11 1ti6 s TYR 168 N 1.69 3.84 -1.12 4.92 5.04 -1.26 -1.94 117.35 128.52 1ti6 s TYR 168 Ca 0.05 1.53 -0.13 0.00 -2.44 0.00 0.00 57.07 56.09 1ti6 s TYR 168 Cb -0.18 -2.75 0.21 0.00 0.35 0.00 0.00 41.96 39.59 1ti6 s TYR 168 CO 0.09 0.44 1.24 0.00 -1.34 0.00 0.00 175.55 175.99 1ti6 s ALA 169 N -0.78 4.20 0.27 3.97 0.00 -0.99 -2.09 121.76 126.34 1ti6 s ALA 169 Ca 0.36 -3.46 -0.30 0.00 0.00 0.00 0.00 51.96 48.55 1ti6 s ALA 169 Cb -0.22 -3.88 -0.13 0.00 0.00 0.00 0.00 23.12 18.89 1ti6 s ALA 169 CO 0.24 -2.56 1.34 -3.47 0.00 0.00 0.00 175.76 171.31 1ti6 n ASP 170 N 4.61 2.63 -4.75 0.00 -0.08 -0.77 -4.31 116.55 113.88 1ti6 n ASP 170 Ca 0.29 1.17 -0.41 0.00 -1.51 0.00 0.00 54.79 54.33 1ti6 n ASP 170 Cb 0.43 -1.43 -0.04 0.00 2.34 0.00 0.00 41.12 42.41 1ti6 n ASP 170 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1ti6 s HIS 171 N -0.46 3.64 0.54 -0.67 3.76 -1.26 -1.88 115.29 118.96 1ti6 s HIS 171 Ca 0.63 1.67 -0.18 0.00 -0.15 0.00 0.00 55.06 57.04 1ti6 s HIS 171 Cb -0.63 -3.24 -0.06 0.00 1.11 0.00 0.00 32.58 29.76 1ti6 s HIS 171 CO 0.54 -0.45 1.05 0.54 -0.85 0.00 0.00 174.74 175.58 1ti6 s ASN 172 N -0.49 6.02 -1.18 1.40 4.22 -1.26 -3.56 114.94 120.10 1ti6 s ASN 172 Ca 0.47 1.89 -0.09 0.00 -2.14 0.00 0.00 52.86 52.98 1ti6 s ASN 172 Cb -0.30 -2.55 -0.07 0.00 1.28 0.00 0.00 41.25 39.62 1ti6 s ASN 172 CO 0.37 -1.00 2.39 -0.81 -2.04 0.00 0.00 177.10 176.01 1ti6 n PRO 173 N -1.53 2.63 -0.38 3.55 -0.04 -1.26 -4.75 135.00 133.23 1ti6 n PRO 173 Ca 0.09 -1.80 -0.04 0.00 -0.04 0.00 0.00 63.50 61.71 1ti6 n PRO 173 Cb 0.53 -2.65 -0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1ti6 n PRO 173 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1ti6 h ASP 174 N 5.97 -1.63 -0.83 3.54 3.04 -1.98 0.38 116.42 124.91 1ti6 h ASP 174 Ca 0.62 0.31 0.06 0.00 -3.24 0.00 0.00 57.03 54.79 1ti6 h ASP 174 Cb 0.26 0.80 -0.05 0.00 -1.04 0.00 0.00 39.33 39.30 1ti6 h ASP 174 CO 1.62 -0.28 0.54 0.28 -2.04 0.00 0.00 179.24 179.37 1ti6 h SER 175 N -0.02 0.80 0.00 4.15 0.02 -2.00 -3.20 113.55 113.31 1ti6 h SER 175 Ca 0.28 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1ti6 h SER 175 Cb 0.54 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1ti6 h SER 175 CO -0.95 0.51 -0.96 0.79 -1.14 0.00 0.00 176.83 175.08 1ti6 n TRP 176 N -4.48 0.00 0.00 3.45 8.01 -0.24 -4.49 117.44 119.68 1ti6 n TRP 176 Ca 0.12 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.31 1ti6 n TRP 176 Cb 0.21 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.50 1ti6 n TRP 176 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1ti6 n GLU 177 N -1.49 0.00 -0.29 -0.99 -0.58 0.12 0.29 120.64 117.70 1ti6 n GLU 177 Ca 0.04 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.83 1ti6 n GLU 177 Cb 0.32 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.39 1ti6 n GLU 177 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1ti6 h GLY 178 N 0.00 1.33 1.60 0.62 0.00 -0.73 0.31 103.07 106.19 1ti6 h GLY 178 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 1ti6 h GLY 178 CO 0.00 -0.01 -0.51 1.49 0.00 0.00 0.00 176.54 177.51 1ti6 h TRP 179 N 0.64 0.53 0.13 5.60 4.06 -0.42 -0.01 115.95 126.48 1ti6 h TRP 179 Ca 0.44 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 61.21 1ti6 h TRP 179 Cb 0.58 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 1ti6 h TRP 179 CO -0.09 0.86 -0.06 1.25 -3.56 0.00 0.00 178.44 176.83 1ti6 h HIS 180 N 0.34 -0.16 0.00 0.49 2.76 -0.22 0.18 115.15 118.54 1ti6 h HIS 180 Ca 0.01 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1ti6 h HIS 180 Cb 1.02 0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.03 1ti6 h HIS 180 CO 0.03 0.31 -0.26 0.91 -1.30 0.00 0.00 177.93 177.63 1ti6 n TRP 181 N -4.89 0.56 0.05 5.26 7.02 0.00 -4.23 117.44 121.21 1ti6 n TRP 181 Ca -0.08 0.16 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 1ti6 n TRP 181 Cb 0.27 -0.71 0.00 0.00 -2.42 0.00 0.00 31.31 28.46 1ti6 n TRP 181 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ti6 n GLY 182 N 1.37 -0.05 0.37 6.99 0.00 -0.10 -4.81 105.19 108.96 1ti6 n GLY 182 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 1ti6 n GLY 182 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ti6 h GLY 183 N 0.00 1.24 0.35 -0.02 0.00 -0.83 -2.32 103.07 101.50 1ti6 h GLY 183 Ca 0.00 -0.33 0.16 0.00 0.00 0.00 0.00 47.33 47.16 1ti6 h GLY 183 CO 0.00 0.15 0.60 1.98 0.00 0.00 0.00 176.54 179.27 1ti6 h MET 184 N 0.79 0.72 0.00 4.80 -1.53 -0.83 0.20 114.93 119.08 1ti6 h MET 184 Ca 0.43 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.64 1ti6 h MET 184 Cb 0.55 -0.16 0.00 0.00 -0.55 0.00 0.00 31.60 31.43 1ti6 h MET 184 CO -0.19 0.48 0.00 0.45 0.14 0.00 0.00 176.91 177.79 1ti6 h HIS 185 N 0.74 0.00 0.09 1.39 3.86 -1.70 0.21 115.15 119.74 1ti6 h HIS 185 Ca 0.50 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.41 1ti6 h HIS 185 Cb 0.79 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 1ti6 h HIS 185 CO -0.00 0.00 -1.66 1.98 0.86 0.00 0.00 177.93 179.11 1ti6 h MET 186 N 0.00 0.19 0.00 2.45 -1.53 -0.69 -3.42 114.93 111.92 1ti6 h MET 186 Ca 0.00 -0.32 0.00 0.00 -3.44 0.00 0.00 59.70 55.94 1ti6 h MET 186 Cb 0.61 0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.78 1ti6 h MET 186 CO 0.00 1.15 -0.04 -2.67 0.14 0.00 0.00 176.91 175.50 1ti6 n TRP 187 N -3.86 0.00 0.00 1.39 4.27 -0.64 -0.23 117.44 118.37 1ti6 n TRP 187 Ca -0.30 -0.15 0.00 0.00 -3.89 0.00 0.00 57.50 53.16 1ti6 n TRP 187 Cb 0.91 -0.02 0.00 0.00 -1.36 0.00 0.00 31.31 30.84 1ti6 n TRP 187 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ti6 n GLY 188 N -0.16 0.75 3.55 -1.67 0.00 0.06 -4.39 105.19 103.34 1ti6 n GLY 188 Ca 0.00 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 1ti6 n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ti6 n PHE 189 N 11.61 -2.40 -0.10 1.61 3.01 -1.26 -4.27 117.46 125.65 1ti6 n PHE 189 Ca 0.00 0.82 0.01 0.00 1.01 0.00 0.00 57.45 59.29 1ti6 n PHE 189 Cb 0.00 -4.38 0.31 0.00 -0.01 0.00 0.00 39.48 35.40 1ti6 n PHE 189 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ti6 h SER 190 N -2.06 0.67 0.36 4.37 4.64 -1.90 0.70 113.55 120.33 1ti6 h SER 190 Ca -0.55 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1ti6 h SER 190 Cb 1.36 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ti6 h SER 190 CO 0.60 0.53 0.00 4.11 -0.87 0.00 0.00 176.83 181.20 1ti6 h TRP 191 N 0.76 0.00 -0.27 4.77 0.09 -1.87 0.26 115.95 119.69 1ti6 h TRP 191 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.18 1ti6 h TRP 191 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.25 1ti6 h TRP 191 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07 1ti6 n ARG 192 N -2.44 2.84 -3.05 0.12 1.74 -0.38 -4.33 116.66 111.16 1ti6 n ARG 192 Ca -0.00 -2.43 -0.20 0.00 -0.77 0.00 0.00 57.85 54.44 1ti6 n ARG 192 Cb 0.13 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1ti6 n ARG 192 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ti6 n LEU 193 N -0.12 -1.73 0.00 0.55 4.77 0.92 -1.94 117.00 119.45 1ti6 n LEU 193 Ca 0.16 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1ti6 n LEU 193 Cb 0.65 -2.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.40 1ti6 n LEU 193 CO 0.11 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1ti6 n GLY 194 N -1.17 3.07 3.82 -0.72 0.00 0.10 -2.62 105.19 107.68 1ti6 n GLY 194 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1ti6 n GLY 194 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ti6 s ASN 195 N -1.05 6.37 0.40 1.61 0.01 -0.82 -4.71 114.94 116.75 1ti6 s ASN 195 Ca 0.00 1.69 -0.09 0.00 -0.71 0.00 0.00 52.86 53.75 1ti6 s ASN 195 Cb 0.00 -2.52 -0.06 0.00 0.41 0.00 0.00 41.25 39.08 1ti6 s ASN 195 CO 0.00 -0.76 0.74 -2.16 -1.51 0.00 0.00 177.10 173.41 1ti6 s PRO 196 N -3.91 3.72 0.92 -0.60 0.04 -1.26 -4.69 135.00 129.23 1ti6 s PRO 196 Ca 0.61 0.36 -0.12 0.00 0.04 0.00 0.00 61.00 61.90 1ti6 s PRO 196 Cb -0.12 -2.43 0.14 0.00 0.04 0.00 0.00 34.50 32.13 1ti6 s PRO 196 CO 0.30 -0.02 1.09 -1.83 0.04 0.00 0.00 177.00 176.58 1ti6 s GLU 197 N -3.93 1.04 0.00 4.56 -1.05 -1.26 -4.91 118.70 113.14 1ti6 s GLU 197 Ca 0.50 0.88 0.00 0.00 -0.15 0.00 0.00 54.97 56.20 1ti6 s GLU 197 Cb -0.10 -1.78 0.00 0.00 -0.44 0.00 0.00 34.13 31.81 1ti6 s GLU 197 CO 0.33 -2.41 0.47 1.04 0.95 0.00 0.00 175.26 175.64 1ti6 n GLN 198 N -4.01 0.00 -1.52 -4.83 1.13 -1.26 -4.85 117.38 102.05 1ti6 n GLN 198 Ca 0.07 -0.47 -0.46 0.00 -1.94 0.00 0.00 57.00 54.20 1ti6 n GLN 198 Cb 0.55 -0.50 -0.02 0.00 0.11 0.00 0.00 30.24 30.38 1ti6 n GLN 198 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1ti6 n TYR 199 N 0.00 0.59 -2.52 1.08 4.02 -1.26 -3.10 117.16 115.97 1ti6 n TYR 199 Ca 0.00 0.80 -0.05 0.00 -0.01 0.00 0.00 57.90 58.63 1ti6 n TYR 199 Cb 0.49 -2.14 -0.00 0.00 -0.02 0.00 0.00 39.34 37.67 1ti6 n TYR 199 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1ti6 n ASP 200 N 1.50 -2.10 0.21 7.72 10.43 -1.24 -1.58 116.55 131.50 1ti6 n ASP 200 Ca 0.13 0.36 0.12 0.00 2.57 0.00 0.00 54.79 57.96 1ti6 n ASP 200 Cb 0.30 -1.88 0.16 0.00 1.84 0.00 0.00 41.12 41.55 1ti6 n ASP 200 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1ti6 h LEU 201 N -0.03 0.00 0.37 0.64 3.38 -1.45 -3.33 115.31 114.89 1ti6 h LEU 201 Ca -0.12 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1ti6 h LEU 201 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1ti6 h LEU 201 CO 0.14 0.00 -0.18 0.25 0.09 0.00 0.00 178.44 178.75 1ti6 h LEU 202 N 0.00 -0.42 -1.34 1.67 5.85 -1.58 0.93 115.31 120.42 1ti6 h LEU 202 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ti6 h LEU 202 Cb 1.00 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1ti6 h LEU 202 CO 0.00 -0.29 0.25 -0.08 -0.34 0.00 0.00 178.44 177.98 1ti6 h GLU 203 N -0.50 0.70 -0.27 1.25 4.81 -1.78 -0.46 114.58 118.33 1ti6 h GLU 203 Ca -0.05 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1ti6 h GLU 203 Cb 0.38 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1ti6 h GLU 203 CO 0.08 0.54 0.09 0.22 -0.73 0.00 0.00 179.01 179.22 1ti6 h ASP 204 N 0.71 0.39 -0.61 1.04 -0.00 -1.58 -1.88 116.42 114.49 1ti6 h ASP 204 Ca 0.18 -0.19 -0.09 0.00 -0.00 0.00 0.00 57.03 56.93 1ti6 h ASP 204 Cb 0.07 -0.10 -0.02 0.00 -0.00 0.00 0.00 39.33 39.27 1ti6 h ASP 204 CO -0.03 0.48 0.03 1.23 -0.00 0.00 0.00 179.24 180.95 1ti6 h GLY 205 N 0.28 1.14 2.00 -0.78 0.00 -0.30 -1.08 103.07 104.33 1ti6 h GLY 205 Ca 0.09 -0.82 -0.05 0.00 0.00 0.00 0.00 47.33 46.55 1ti6 h GLY 205 CO -0.00 0.75 -0.25 1.41 0.00 0.00 0.00 176.54 178.45 1ti6 h LEU 206 N 0.96 0.00 0.03 3.11 3.38 -0.98 0.27 115.31 122.08 1ti6 h LEU 206 Ca 0.18 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.87 1ti6 h LEU 206 Cb 0.52 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1ti6 h LEU 206 CO 0.02 0.25 -1.52 0.11 0.09 0.00 0.00 178.44 177.40 1ti6 h LYS 207 N 0.00 0.05 0.00 1.13 1.57 -1.10 -3.43 116.57 114.80 1ti6 h LYS 207 Ca -0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ti6 h LYS 207 Cb 0.45 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1ti6 h LYS 207 CO 0.03 0.76 -0.28 0.72 -0.57 0.00 0.00 179.45 180.11 1ti6 n HIS 208 N -3.21 0.00 -1.86 -1.35 8.25 -0.43 -4.84 115.22 111.78 1ti6 n HIS 208 Ca -0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.91 1ti6 n HIS 208 Cb 1.02 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.10 1ti6 n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ti6 s ALA 209 N -1.05 3.82 -0.03 -1.41 0.00 0.08 -4.67 121.76 118.50 1ti6 s ALA 209 Ca 0.00 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.45 1ti6 s ALA 209 Cb 0.00 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 1ti6 s ALA 209 CO 0.00 -0.84 0.03 0.39 0.00 0.00 0.00 175.76 175.34 1ti6 n GLU 210 N 3.69 2.50 -3.67 0.00 1.02 -0.24 -4.75 120.64 119.19 1ti6 n GLU 210 Ca 0.13 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.12 1ti6 n GLU 210 Cb 0.37 -1.09 -0.08 0.00 -0.02 0.00 0.00 31.44 30.63 1ti6 n GLU 210 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1ti6 s MET 211 N -2.13 0.78 -0.05 3.49 0.00 -0.86 -2.07 119.30 118.45 1ti6 s MET 211 Ca -0.02 0.16 0.02 0.00 0.00 0.00 0.00 55.69 55.85 1ti6 s MET 211 Cb 0.01 0.36 0.02 0.00 0.00 0.00 0.00 34.83 35.22 1ti6 s MET 211 CO 0.14 -0.21 -0.09 0.42 0.00 0.00 0.00 175.02 175.29 1ti6 s ILE 212 N -0.92 0.84 -0.37 10.11 1.01 -0.15 -1.36 121.20 130.36 1ti6 s ILE 212 Ca -0.10 -0.31 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 1ti6 s ILE 212 Cb -0.03 -0.80 0.04 0.00 0.01 0.00 0.00 42.46 41.68 1ti6 s ILE 212 CO 0.05 0.29 0.17 -0.69 0.00 0.00 0.00 174.94 174.77 1ti6 s VAL 213 N 0.75 4.14 -0.60 2.92 1.01 -0.46 -1.53 120.40 126.63 1ti6 s VAL 213 Ca -0.13 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.52 1ti6 s VAL 213 Cb -0.15 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 32.91 1ti6 s VAL 213 CO 0.02 -0.27 0.90 -0.36 0.00 0.00 0.00 175.10 175.39 1ti6 s PHE 214 N 1.46 2.77 -0.28 5.22 0.08 0.11 0.31 117.98 127.64 1ti6 s PHE 214 Ca 0.01 -0.41 -0.08 0.00 0.12 0.00 0.00 56.93 56.57 1ti6 s PHE 214 Cb -0.20 -4.12 -0.01 0.00 -0.57 0.00 0.00 43.02 38.12 1ti6 s PHE 214 CO 0.04 -1.47 0.09 -0.46 -0.10 0.00 0.00 175.22 173.33 1ti6 s TRP 215 N 3.78 3.13 -1.49 0.36 -0.11 -0.06 -0.81 118.94 123.74 1ti6 s TRP 215 Ca 0.23 -0.70 -0.12 0.00 1.22 0.00 0.00 56.10 56.73 1ti6 s TRP 215 Cb -0.16 -2.27 0.07 0.00 -1.50 0.00 0.00 33.47 29.60 1ti6 s TRP 215 CO 0.13 -0.48 0.96 0.45 -4.62 0.00 0.00 176.95 173.39 1ti6 n SER 216 N 4.91 -5.13 -3.92 5.86 2.88 -0.42 -1.57 113.62 116.23 1ti6 n SER 216 Ca -0.15 -0.67 -0.25 0.00 -1.33 0.00 0.00 58.87 56.47 1ti6 n SER 216 Cb 0.49 -4.10 -0.17 0.00 -0.75 0.00 0.00 64.21 59.69 1ti6 n SER 216 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ti6 s SER 217 N -3.21 1.93 -0.51 -3.46 0.15 -1.26 -3.55 113.70 103.79 1ti6 s SER 217 Ca 0.61 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 57.06 1ti6 s SER 217 Cb -0.30 -0.77 0.23 0.00 -1.71 0.00 0.00 66.02 63.47 1ti6 s SER 217 CO 0.75 -0.08 0.58 -0.67 1.20 0.00 0.00 173.24 175.02 1ti6 n ASP 218 N 4.62 1.64 -0.29 5.45 -0.08 -1.26 -4.88 116.55 121.75 1ti6 n ASP 218 Ca -0.15 -2.97 0.12 0.00 -1.51 0.00 0.00 54.79 50.27 1ti6 n ASP 218 Cb 0.50 -0.65 0.28 0.00 2.34 0.00 0.00 41.12 43.59 1ti6 n ASP 218 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ti6 h PRO 219 N 4.36 0.23 -0.10 -0.67 0.11 -1.90 -1.89 132.00 132.14 1ti6 h PRO 219 Ca 0.15 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.25 1ti6 h PRO 219 Cb 0.79 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1ti6 h PRO 219 CO 0.61 0.15 0.02 0.93 -0.21 0.00 0.00 178.00 179.51 1ti6 h GLU 220 N 0.24 0.07 0.40 1.05 4.39 -1.94 0.82 114.58 119.60 1ti6 h GLU 220 Ca 0.54 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.21 1ti6 h GLU 220 Cb 1.06 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1ti6 h GLU 220 CO -0.62 0.04 -0.19 1.15 -1.16 0.00 0.00 179.01 178.23 1ti6 h THR 221 N 0.07 0.57 0.03 1.13 2.02 -1.76 -3.36 112.91 111.61 1ti6 h THR 221 Ca 0.04 -0.44 -0.26 0.00 0.77 0.00 0.00 66.41 66.52 1ti6 h THR 221 Cb 0.03 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1ti6 h THR 221 CO -0.05 0.08 -1.37 0.78 0.37 0.00 0.00 175.52 175.32 1ti6 h ASN 222 N -0.80 0.09 -1.02 4.18 2.35 -1.41 -3.48 115.58 115.49 1ti6 h ASN 222 Ca -0.05 -0.13 -0.36 0.00 -0.55 0.00 0.00 56.30 55.20 1ti6 h ASN 222 Cb 0.53 -0.03 -0.14 0.00 0.05 0.00 0.00 38.32 38.73 1ti6 h ASN 222 CO 0.09 1.11 -0.33 -1.54 -1.65 0.00 0.00 177.43 175.11 1ti6 n SER 223 N -3.27 -5.03 0.00 5.81 3.41 0.28 -2.58 113.62 112.24 1ti6 n SER 223 Ca -0.10 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1ti6 n SER 223 Cb 1.00 -4.38 0.00 0.00 -0.26 0.00 0.00 64.21 60.58 1ti6 n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ti6 n GLY 224 N -0.27 2.20 0.00 5.00 0.00 -1.25 -4.34 105.19 106.53 1ti6 n GLY 224 Ca -0.18 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1ti6 n GLY 224 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ti6 n ILE 225 N 0.00 0.00 -0.85 -0.61 3.06 -1.07 -4.69 119.36 115.20 1ti6 n ILE 225 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1ti6 n ILE 225 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1ti6 n ILE 225 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1ti6 n TYR 226 N -0.05 0.00 -1.07 9.51 0.53 -1.25 -4.87 117.16 119.97 1ti6 n TYR 226 Ca 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 57.90 56.86 1ti6 n TYR 226 Cb 0.00 -1.57 0.30 0.00 -1.03 0.00 0.00 39.34 37.03 1ti6 n TYR 226 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1ti6 n ALA 227 N 1.00 4.22 -0.46 -0.72 0.00 -1.26 -3.93 120.51 119.36 1ti6 n ALA 227 Ca 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 51.05 1ti6 n ALA 227 Cb 0.28 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1ti6 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti6 n GLY 228 N -0.25 2.47 2.11 0.00 0.00 -1.26 -1.74 105.19 106.53 1ti6 n GLY 228 Ca 0.36 0.37 -0.07 0.00 0.00 0.00 0.00 46.02 46.67 1ti6 n GLY 228 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ti6 n PHE 229 N 7.80 1.49 -0.14 1.61 3.01 -1.26 -4.65 117.46 125.31 1ti6 n PHE 229 Ca 0.00 -1.88 0.04 0.00 1.01 0.00 0.00 57.45 56.61 1ti6 n PHE 229 Cb 0.00 -0.26 0.33 0.00 -0.01 0.00 0.00 39.48 39.54 1ti6 n PHE 229 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1ti6 h GLU 230 N 2.06 0.77 -0.00 -1.08 4.39 -1.65 -2.85 114.58 116.22 1ti6 h GLU 230 Ca 0.05 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ti6 h GLU 230 Cb 1.42 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1ti6 h GLU 230 CO 0.36 0.51 -0.14 -1.13 -1.16 0.00 0.00 179.01 177.45 1ti6 n SER 231 N -4.46 0.58 -0.09 1.42 3.41 -1.26 -4.34 113.62 108.88 1ti6 n SER 231 Ca 0.08 -0.63 -0.06 0.00 -0.26 0.00 0.00 58.87 58.00 1ti6 n SER 231 Cb 0.11 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1ti6 n SER 231 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ti6 h ASN 232 N 0.69 -0.53 0.21 4.04 -0.73 -1.89 -1.16 115.58 116.22 1ti6 h ASN 232 Ca 0.00 0.13 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 1ti6 h ASN 232 Cb 0.39 0.30 -0.00 0.00 0.27 0.00 0.00 38.32 39.27 1ti6 h ASN 232 CO 0.00 -0.19 -0.12 -0.29 -0.37 0.00 0.00 177.43 176.46 1ti6 h ILE 233 N -0.10 0.82 -0.48 2.57 2.10 -1.81 -2.59 117.51 118.02 1ti6 h ILE 233 Ca 0.17 -0.47 -0.13 0.00 1.08 0.00 0.00 64.86 65.52 1ti6 h ILE 233 Cb 0.36 1.27 -0.01 0.00 -1.09 0.00 0.00 36.82 37.35 1ti6 h ILE 233 CO -0.41 0.12 -0.20 0.03 -1.08 0.00 0.00 178.15 176.62 1ti6 h ARG 234 N 0.00 0.98 0.00 2.19 3.08 -1.48 -1.45 114.38 117.70 1ti6 h ARG 234 Ca -0.00 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 1ti6 h ARG 234 Cb 0.26 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1ti6 h ARG 234 CO 0.02 1.08 -0.10 0.00 -1.07 0.00 0.00 179.97 179.90 1ti6 h ARG 235 N 0.83 0.00 -0.30 0.04 3.08 -1.18 -2.45 114.38 114.39 1ti6 h ARG 235 Ca 0.11 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.00 1ti6 h ARG 235 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1ti6 h ARG 235 CO 0.06 0.10 -0.42 0.37 -1.07 0.00 0.00 179.97 179.00 1ti6 h GLN 236 N 0.00 0.82 -0.33 0.04 5.75 -1.07 -0.97 115.11 119.36 1ti6 h GLN 236 Ca -0.00 -0.48 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1ti6 h GLN 236 Cb 0.78 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.36 1ti6 h GLN 236 CO 0.01 1.11 0.15 -1.49 -2.65 0.00 0.00 178.83 175.97 1ti6 h TRP 237 N 0.60 0.49 -0.36 3.99 6.55 -0.97 -0.89 115.95 125.36 1ti6 h TRP 237 Ca 0.03 -0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1ti6 h TRP 237 Cb 1.02 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 29.16 1ti6 h TRP 237 CO 0.07 0.44 0.18 -0.07 -1.05 0.00 0.00 178.44 178.01 1ti6 h LEU 238 N 0.40 0.46 -0.63 -4.49 3.38 -1.39 -1.81 115.31 111.22 1ti6 h LEU 238 Ca 0.11 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1ti6 h LEU 238 Cb 0.14 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1ti6 h LEU 238 CO -0.01 0.44 0.37 0.50 0.09 0.00 0.00 178.44 179.82 1ti6 h LYS 239 N 0.45 0.68 0.00 1.13 3.64 -0.99 -0.93 116.57 120.55 1ti6 h LYS 239 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1ti6 h LYS 239 Cb 0.09 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1ti6 h LYS 239 CO -0.02 0.45 0.00 -0.25 -2.27 0.00 0.00 179.45 177.36 1ti6 n ASP 240 N -4.76 0.00 -0.40 4.20 8.00 -0.36 -1.87 116.55 121.36 1ti6 n ASP 240 Ca 0.07 0.37 0.13 0.00 0.71 0.00 0.00 54.79 56.06 1ti6 n ASP 240 Cb 0.12 -0.45 0.33 0.00 -0.02 0.00 0.00 41.12 41.11 1ti6 n ASP 240 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ti6 n LEU 241 N -1.45 1.46 0.00 0.64 4.77 -0.41 -4.93 117.00 117.08 1ti6 n LEU 241 Ca 0.06 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1ti6 n LEU 241 Cb 0.22 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1ti6 n LEU 241 CO 0.18 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1ti6 n GLY 242 N 1.31 0.78 3.73 -0.72 0.00 -0.78 -5.06 105.19 104.45 1ti6 n GLY 242 Ca 0.14 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1ti6 n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ti6 s VAL 243 N -2.00 4.15 0.08 1.61 1.01 -0.85 -4.95 120.40 119.45 1ti6 s VAL 243 Ca 0.00 1.74 -0.20 0.00 0.00 0.00 0.00 61.98 63.51 1ti6 s VAL 243 Cb 0.00 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1ti6 s VAL 243 CO 0.00 0.24 0.60 -1.81 0.00 0.00 0.00 175.10 174.13 1ti6 s ASP 244 N 0.27 7.09 -0.23 3.32 1.01 -0.88 -4.56 116.67 122.69 1ti6 s ASP 244 Ca 0.51 1.30 -0.03 0.00 0.71 0.00 0.00 52.55 55.04 1ti6 s ASP 244 Cb -0.27 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.29 1ti6 s ASP 244 CO 0.32 0.25 -0.05 -0.36 0.21 0.00 0.00 175.17 175.54 1ti6 s PHE 245 N -1.02 3.00 -0.12 4.23 2.99 -1.26 -0.98 117.98 124.82 1ti6 s PHE 245 Ca 0.30 -1.21 0.01 0.00 0.00 0.00 0.00 56.93 56.03 1ti6 s PHE 245 Cb -0.20 -2.09 -0.02 0.00 0.00 0.00 0.00 43.02 40.72 1ti6 s PHE 245 CO 0.20 -0.63 -0.13 0.08 -0.00 0.00 0.00 175.22 174.73 1ti6 s VAL 246 N 1.41 3.03 -0.13 -0.44 1.01 -0.59 -0.65 120.40 124.05 1ti6 s VAL 246 Ca 0.04 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1ti6 s VAL 246 Cb -0.15 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1ti6 s VAL 246 CO -0.04 0.54 -0.16 -0.36 0.00 0.00 0.00 175.10 175.07 1ti6 s PHE 247 N 0.18 2.75 -0.31 5.22 0.40 -0.08 0.08 117.98 126.23 1ti6 s PHE 247 Ca -0.08 -0.85 0.01 0.00 -0.60 0.00 0.00 56.93 55.41 1ti6 s PHE 247 Cb -0.15 -1.83 0.07 0.00 0.51 0.00 0.00 43.02 41.62 1ti6 s PHE 247 CO 0.05 -0.34 -0.01 0.42 0.70 0.00 0.00 175.22 176.04 1ti6 s ILE 248 N 0.50 2.60 -0.28 0.64 1.01 0.01 0.34 121.20 126.02 1ti6 s ILE 248 Ca -0.11 -1.72 -0.17 0.00 0.00 0.00 0.00 60.65 58.65 1ti6 s ILE 248 Cb -0.16 -2.62 0.11 0.00 0.01 0.00 0.00 42.46 39.80 1ti6 s ILE 248 CO 0.05 -0.23 0.83 -0.62 0.00 0.00 0.00 174.94 174.96 1ti6 s ASP 249 N 1.20 -0.73 0.31 3.58 -1.08 -0.18 -1.31 116.67 118.46 1ti6 s ASP 249 Ca -0.02 1.19 0.07 0.00 -0.52 0.00 0.00 52.55 53.27 1ti6 s ASP 249 Cb -0.20 1.30 0.79 0.00 -1.46 0.00 0.00 42.92 43.34 1ti6 s ASP 249 CO -0.04 -0.19 1.77 -0.65 0.52 0.00 0.00 175.17 176.58 1ti6 h PRO 250 N 6.43 0.69 -5.54 4.34 0.11 -1.77 -3.36 132.00 132.90 1ti6 h PRO 250 Ca -0.29 -0.04 -0.64 0.00 0.11 0.00 0.00 66.00 65.13 1ti6 h PRO 250 Cb 1.21 -0.16 -0.13 0.00 0.11 0.00 0.00 31.00 32.04 1ti6 h PRO 250 CO 0.17 0.46 -0.55 -1.58 -0.21 0.00 0.00 178.00 176.29 1ti6 s HIS 251 N -5.82 3.35 -1.06 0.65 5.65 -1.26 -4.08 115.29 112.71 1ti6 s HIS 251 Ca -0.11 0.26 -0.23 0.00 0.25 0.00 0.00 55.06 55.23 1ti6 s HIS 251 Cb 0.25 -1.98 -0.01 0.00 -1.18 0.00 0.00 32.58 29.66 1ti6 s HIS 251 CO 0.80 0.41 1.78 1.41 -0.65 0.00 0.00 174.74 178.49 1ti6 s MET 252 N -0.32 3.04 1.20 2.88 1.75 -0.63 -4.93 119.30 122.28 1ti6 s MET 252 Ca 0.09 -0.98 -0.16 0.00 -1.25 0.00 0.00 55.69 53.39 1ti6 s MET 252 Cb -0.12 -5.26 0.25 0.00 2.84 0.00 0.00 34.83 32.54 1ti6 s MET 252 CO 0.01 -3.04 0.67 0.27 -0.65 0.00 0.00 175.02 172.28 1ti6 n ASN 253 N 11.86 -2.27 0.26 1.11 0.23 -1.26 -4.52 115.26 120.67 1ti6 n ASN 253 Ca 0.41 -0.25 0.09 0.00 -0.53 0.00 0.00 54.58 54.30 1ti6 n ASN 253 Cb 0.48 -1.12 0.67 0.00 -2.08 0.00 0.00 39.78 37.72 1ti6 n ASN 253 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 1ti6 h HIS 254 N -2.64 0.00 -0.08 -2.53 3.86 -1.94 0.10 115.15 111.92 1ti6 h HIS 254 Ca -0.58 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 58.46 1ti6 h HIS 254 Cb 1.33 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.81 1ti6 h HIS 254 CO -0.17 0.07 -0.62 1.15 0.86 0.00 0.00 177.93 179.23 1ti6 h THR 255 N 0.00 1.36 -0.73 2.45 2.02 -1.91 -2.96 112.91 113.15 1ti6 h THR 255 Ca -0.00 -1.95 -0.04 0.00 0.77 0.00 0.00 66.41 65.19 1ti6 h THR 255 Cb 0.15 2.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 1ti6 h THR 255 CO 0.01 0.59 0.28 0.00 0.37 0.00 0.00 175.52 176.76 1ti6 h ALA 256 N 0.44 1.12 0.00 6.16 0.00 -1.68 -0.17 119.26 125.13 1ti6 h ALA 256 Ca -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1ti6 h ALA 256 Cb 1.28 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ti6 h ALA 256 CO 0.13 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.89 1ti6 h ARG 257 N 1.06 0.00 0.00 0.00 3.08 -1.01 -1.59 114.38 115.92 1ti6 h ARG 257 Ca 0.24 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.11 1ti6 h ARG 257 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1ti6 h ARG 257 CO -0.02 0.11 -0.99 1.25 -1.07 0.00 0.00 179.97 179.26 1ti6 h LEU 258 N 0.00 0.01 -2.28 3.04 5.85 -1.16 -3.44 115.31 117.33 1ti6 h LEU 258 Ca -0.00 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1ti6 h LEU 258 Cb 0.23 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1ti6 h LEU 258 CO 0.01 1.39 -0.08 1.33 -0.34 0.00 0.00 178.44 180.75 1ti6 n VAL 259 N -4.46 0.74 -2.07 1.05 0.24 -0.16 -5.08 118.33 108.59 1ti6 n VAL 259 Ca -0.27 -0.82 -0.41 0.00 -2.04 0.00 0.00 64.34 60.80 1ti6 n VAL 259 Cb 0.64 0.49 -0.02 0.00 -1.47 0.00 0.00 33.84 33.49 1ti6 n VAL 259 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ti6 s ALA 260 N -0.94 3.54 -0.08 2.33 0.00 -0.60 -4.68 121.76 121.33 1ti6 s ALA 260 Ca 0.06 1.29 0.21 0.00 0.00 0.00 0.00 51.96 53.53 1ti6 s ALA 260 Cb 0.06 -3.51 -0.31 0.00 0.00 0.00 0.00 23.12 19.36 1ti6 s ALA 260 CO 0.01 -0.69 0.36 -0.25 0.00 0.00 0.00 175.76 175.18 1ti6 n ASP 261 N 1.24 0.07 -3.62 0.00 9.92 0.18 -4.96 116.55 119.37 1ti6 n ASP 261 Ca 0.02 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.15 1ti6 n ASP 261 Cb 0.41 1.71 -0.07 0.00 -0.64 0.00 0.00 41.12 42.54 1ti6 n ASP 261 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1ti6 s LYS 262 N -3.22 0.80 -0.07 -1.24 2.47 -1.19 -5.03 119.74 112.25 1ti6 s LYS 262 Ca -0.08 0.86 0.01 0.00 -1.56 0.00 0.00 55.97 55.20 1ti6 s LYS 262 Cb 0.12 0.39 0.02 0.00 -1.46 0.00 0.00 37.83 36.89 1ti6 s LYS 262 CO 0.88 -0.11 -0.09 -0.46 0.16 0.00 0.00 175.35 175.72 1ti6 s TRP 263 N 0.21 1.29 -0.12 4.03 -0.00 -1.26 -0.90 118.94 122.19 1ti6 s TRP 263 Ca -0.00 -0.51 -0.03 0.00 -0.00 0.00 0.00 56.10 55.56 1ti6 s TRP 263 Cb -0.05 -1.02 -0.03 0.00 -0.00 0.00 0.00 33.47 32.37 1ti6 s TRP 263 CO 0.01 -0.32 0.00 -0.06 -0.00 0.00 0.00 176.95 176.58 1ti6 s PHE 264 N 1.01 3.14 -0.64 5.86 0.40 0.15 -4.98 117.98 122.92 1ti6 s PHE 264 Ca -0.09 0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.34 1ti6 s PHE 264 Cb -0.15 -1.88 0.16 0.00 0.51 0.00 0.00 43.02 41.66 1ti6 s PHE 264 CO -0.00 0.30 0.42 0.45 0.70 0.00 0.00 175.22 177.08 1ti6 s SER 265 N -0.38 4.68 0.53 1.36 0.15 -1.26 -1.01 113.70 117.78 1ti6 s SER 265 Ca 0.07 -3.54 -0.19 0.00 0.70 0.00 0.00 55.95 53.00 1ti6 s SER 265 Cb -0.12 -1.65 -0.06 0.00 -1.71 0.00 0.00 66.02 62.47 1ti6 s SER 265 CO 0.02 -0.14 1.06 -2.16 1.20 0.00 0.00 173.24 173.21 1ti6 s PRO 266 N -1.02 3.57 0.84 5.44 0.04 -1.26 -4.70 135.00 137.92 1ti6 s PRO 266 Ca 0.22 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.50 1ti6 s PRO 266 Cb -0.13 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.45 1ti6 s PRO 266 CO -0.10 -0.62 1.12 0.15 0.04 0.00 0.00 177.00 177.59 1ti6 s LYS 267 N -3.53 1.63 0.41 4.56 1.02 -0.65 -4.17 119.74 119.01 1ti6 s LYS 267 Ca 0.67 1.36 -0.27 0.00 0.02 0.00 0.00 55.97 57.75 1ti6 s LYS 267 Cb -0.17 -1.81 -0.10 0.00 -0.52 0.00 0.00 37.83 35.23 1ti6 s LYS 267 CO 0.27 -2.14 1.45 0.44 -0.92 0.00 0.00 175.35 174.44 1ti6 n ILE 268 N -3.88 2.40 -1.85 2.17 -5.35 -1.26 -2.75 119.36 108.84 1ti6 n ILE 268 Ca 0.10 -0.50 -0.16 0.00 -0.27 0.00 0.00 62.75 61.92 1ti6 n ILE 268 Cb 0.53 -1.89 -0.04 0.00 -1.74 0.00 0.00 39.64 36.49 1ti6 n ILE 268 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ti6 n GLY 269 N 0.53 0.74 0.00 3.28 0.00 -1.26 -4.59 105.19 103.88 1ti6 n GLY 269 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1ti6 n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ti6 n THR 270 N -3.21 0.75 -0.23 2.61 -2.24 -1.11 -4.37 114.28 106.48 1ti6 n THR 270 Ca -0.17 -0.79 -0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1ti6 n THR 270 Cb 0.58 0.64 0.11 0.00 -2.10 0.00 0.00 70.33 69.56 1ti6 n THR 270 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ti6 h ASP 271 N 0.00 0.47 0.18 3.42 5.19 -1.91 -1.65 116.42 122.13 1ti6 h ASP 271 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1ti6 h ASP 271 Cb 0.54 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1ti6 h ASP 271 CO 0.00 0.29 0.00 1.12 -3.12 0.00 0.00 179.24 177.53 1ti6 h HIS 272 N 0.62 0.00 -0.46 4.55 2.07 -1.87 0.50 115.15 120.56 1ti6 h HIS 272 Ca 0.32 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.72 1ti6 h HIS 272 Cb 0.28 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.24 1ti6 h HIS 272 CO -0.10 0.00 -0.19 0.00 -3.07 0.00 0.00 177.93 174.57 1ti6 h ALA 273 N 2.04 0.64 -0.34 6.11 0.00 -1.66 -0.94 119.26 125.10 1ti6 h ALA 273 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1ti6 h ALA 273 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ti6 h ALA 273 CO 0.00 0.60 -0.04 -0.07 0.00 0.00 0.00 179.25 179.74 1ti6 h LEU 274 N 0.77 0.63 -0.99 0.00 3.38 -0.98 -1.60 115.31 116.52 1ti6 h LEU 274 Ca 0.11 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1ti6 h LEU 274 Cb 0.76 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1ti6 h LEU 274 CO 0.06 0.82 0.28 0.77 0.09 0.00 0.00 178.44 180.46 1ti6 h SER 275 N 0.43 0.92 -0.40 -0.43 4.64 -1.33 0.13 113.55 117.50 1ti6 h SER 275 Ca 0.09 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.17 1ti6 h SER 275 Cb 0.52 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1ti6 h SER 275 CO 0.03 0.82 -0.18 -0.26 -0.87 0.00 0.00 176.83 176.37 1ti6 h PHE 276 N 0.99 1.01 -0.34 4.77 -1.00 -1.03 -1.14 116.94 120.20 1ti6 h PHE 276 Ca 0.23 -0.22 -0.11 0.00 2.81 0.00 0.00 57.97 60.68 1ti6 h PHE 276 Cb 0.18 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 1ti6 h PHE 276 CO 0.02 0.99 -0.24 0.00 -1.61 0.00 0.00 178.31 177.47 1ti6 h ALA 277 N 1.01 0.94 -0.48 2.45 0.00 -0.82 0.25 119.26 122.61 1ti6 h ALA 277 Ca 0.11 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1ti6 h ALA 277 Cb 0.72 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ti6 h ALA 277 CO 0.06 0.61 -0.05 0.82 0.00 0.00 0.00 179.25 180.68 1ti6 h ILE 278 N 0.59 1.27 -0.58 0.00 2.04 -0.80 -0.98 117.51 119.05 1ti6 h ILE 278 Ca 0.08 -1.15 -0.11 0.00 1.00 0.00 0.00 64.86 64.68 1ti6 h ILE 278 Cb 0.72 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1ti6 h ILE 278 CO 0.06 0.40 -0.06 0.00 0.00 0.00 0.00 178.15 178.54 1ti6 h ALA 279 N 0.90 0.78 -0.68 1.87 0.00 -0.91 -2.18 119.26 119.04 1ti6 h ALA 279 Ca 0.13 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1ti6 h ALA 279 Cb 0.58 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1ti6 h ALA 279 CO 0.04 0.67 0.43 -0.92 0.00 0.00 0.00 179.25 179.47 1ti6 h TYR 280 N 0.95 0.81 -0.60 0.00 3.20 -0.27 -0.36 116.97 120.69 1ti6 h TYR 280 Ca 0.16 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1ti6 h TYR 280 Cb 0.63 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1ti6 h TYR 280 CO 0.04 0.47 0.22 1.15 -1.64 0.00 0.00 178.16 178.41 1ti6 h THR 281 N 0.85 1.23 -0.60 1.81 2.02 -0.93 -0.68 112.91 116.61 1ti6 h THR 281 Ca 0.27 -0.76 -0.10 0.00 0.77 0.00 0.00 66.41 66.59 1ti6 h THR 281 Cb -0.01 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1ti6 h THR 281 CO -0.10 0.29 -0.02 -0.50 0.37 0.00 0.00 175.52 175.56 1ti6 h TRP 282 N 0.84 1.17 -0.47 3.16 6.55 -0.96 -1.20 115.95 125.04 1ti6 h TRP 282 Ca 0.20 -0.21 -0.08 0.00 0.95 0.00 0.00 58.89 59.75 1ti6 h TRP 282 Cb 0.23 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 28.21 1ti6 h TRP 282 CO 0.01 1.04 -0.02 -0.07 -1.05 0.00 0.00 178.44 178.35 1ti6 h LEU 283 N 0.97 0.84 -1.16 -4.49 3.38 -0.88 0.24 115.31 114.21 1ti6 h LEU 283 Ca 0.17 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1ti6 h LEU 283 Cb 0.59 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1ti6 h LEU 283 CO 0.03 0.95 -0.37 0.11 0.09 0.00 0.00 178.44 179.25 1ti6 h LYS 284 N 0.70 0.08 -0.33 1.13 1.79 -0.99 -3.12 116.57 115.83 1ti6 h LYS 284 Ca 0.13 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1ti6 h LYS 284 Cb 0.54 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1ti6 h LYS 284 CO 0.03 0.45 0.00 0.39 -1.08 0.00 0.00 179.45 179.24 1ti6 n GLU 285 N -4.08 2.25 -3.11 3.15 1.02 -0.47 -4.97 120.64 114.43 1ti6 n GLU 285 Ca -0.02 -2.00 -0.22 0.00 -0.02 0.00 0.00 57.16 54.91 1ti6 n GLU 285 Cb 0.42 -1.36 0.01 0.00 -0.02 0.00 0.00 31.44 30.49 1ti6 n GLU 285 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ti6 n ASP 286 N 0.96 -4.61 -3.60 1.62 9.92 0.71 -4.89 116.55 116.66 1ti6 n ASP 286 Ca 0.14 -0.27 -0.40 0.00 -0.53 0.00 0.00 54.79 53.73 1ti6 n ASP 286 Cb 0.47 -3.79 0.01 0.00 -0.64 0.00 0.00 41.12 37.18 1ti6 n ASP 286 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1ti6 n SER 287 N -2.30 7.05 -3.50 -2.24 3.41 -0.35 -4.95 113.62 110.73 1ti6 n SER 287 Ca -0.07 -3.67 -0.12 0.00 -0.26 0.00 0.00 58.87 54.74 1ti6 n SER 287 Cb 0.58 -1.12 -0.04 0.00 -0.26 0.00 0.00 64.21 63.37 1ti6 n SER 287 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1ti6 s TYR 288 N -4.18 0.78 -1.11 7.33 1.13 -1.26 -4.75 117.35 115.29 1ti6 s TYR 288 Ca 0.39 -1.09 -0.19 0.00 -1.41 0.00 0.00 57.07 54.77 1ti6 s TYR 288 Cb 0.19 0.04 0.09 0.00 -1.10 0.00 0.00 41.96 41.19 1ti6 s TYR 288 CO -0.12 -1.10 1.47 0.34 -2.51 0.00 0.00 175.55 173.63 1ti6 s ASP 289 N -3.15 6.72 0.25 -0.18 -1.08 0.21 -4.85 116.67 114.59 1ti6 s ASP 289 Ca 0.27 -2.10 -0.06 0.00 -0.52 0.00 0.00 52.55 50.14 1ti6 s ASP 289 Cb -0.00 -2.51 0.28 0.00 -1.46 0.00 0.00 42.92 39.22 1ti6 s ASP 289 CO 0.16 -1.20 1.91 0.11 0.52 0.00 0.00 175.17 176.67 1ti6 h LYS 290 N 8.54 1.25 -0.33 4.34 1.57 -1.94 -1.70 116.57 128.30 1ti6 h LYS 290 Ca 0.28 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1ti6 h LYS 290 Cb 0.95 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1ti6 h LYS 290 CO 1.34 0.83 0.12 0.93 -0.57 0.00 0.00 179.45 182.10 1ti6 h GLU 291 N 1.29 0.49 -0.24 3.15 3.07 -1.98 0.37 114.58 120.73 1ti6 h GLU 291 Ca 0.37 -0.10 0.01 0.00 -0.50 0.00 0.00 59.36 59.15 1ti6 h GLU 291 Cb -0.08 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 1ti6 h GLU 291 CO -0.10 0.51 0.14 -0.92 -1.40 0.00 0.00 179.01 177.23 1ti6 h TYR 292 N 0.38 0.25 -0.59 4.33 3.20 -1.89 -2.16 116.97 120.50 1ti6 h TYR 292 Ca 0.11 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 1ti6 h TYR 292 Cb 0.20 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1ti6 h TYR 292 CO -0.00 0.15 0.14 0.28 -1.64 0.00 0.00 178.16 177.09 1ti6 h VAL 293 N 0.28 1.25 -0.42 1.81 2.07 -1.16 0.28 116.25 120.36 1ti6 h VAL 293 Ca 0.09 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1ti6 h VAL 293 Cb -0.00 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1ti6 h VAL 293 CO -0.04 0.33 0.28 0.00 0.02 0.00 0.00 177.57 178.16 1ti6 h ALA 294 N 1.03 1.71 0.01 1.67 0.00 -0.71 -1.87 119.26 121.10 1ti6 h ALA 294 Ca 0.18 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.75 1ti6 h ALA 294 Cb 0.35 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1ti6 h ALA 294 CO 0.00 0.27 -1.85 0.00 0.00 0.00 0.00 179.25 177.67 1ti6 n ALA 295 N -2.47 1.44 -0.07 0.00 0.00 -0.83 -4.61 120.51 113.97 1ti6 n ALA 295 Ca 0.03 -0.85 0.04 0.00 0.00 0.00 0.00 53.44 52.66 1ti6 n ALA 295 Cb 0.06 -0.72 0.09 0.00 0.00 0.00 0.00 19.45 18.88 1ti6 n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ti6 n ASN 296 N -3.04 2.51 -4.35 0.00 3.02 0.94 -5.00 115.26 109.34 1ti6 n ASN 296 Ca -0.21 -1.92 -0.27 0.00 -0.03 0.00 0.00 54.58 52.14 1ti6 n ASN 296 Cb 1.07 -0.14 -0.13 0.00 -0.61 0.00 0.00 39.78 39.97 1ti6 n ASN 296 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ti6 s ALA 297 N -0.96 2.18 -0.07 5.41 0.00 -0.71 -0.77 121.76 126.84 1ti6 s ALA 297 Ca 0.15 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 50.78 1ti6 s ALA 297 Cb 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 1ti6 s ALA 297 CO 0.10 0.48 -0.21 -1.58 0.00 0.00 0.00 175.76 174.55 1ti6 s HIS 298 N -1.08 2.18 -0.05 0.00 2.46 0.85 -4.65 115.29 115.00 1ti6 s HIS 298 Ca 0.11 -0.73 0.00 0.00 0.47 0.00 0.00 55.06 54.91 1ti6 s HIS 298 Cb -0.10 -1.46 0.00 0.00 -0.13 0.00 0.00 32.58 30.89 1ti6 s HIS 298 CO 0.05 -0.26 0.00 0.41 -2.47 0.00 0.00 174.74 172.47 1ti6 n GLY 299 N 3.23 0.45 0.30 1.59 0.00 -1.26 -1.08 105.19 108.42 1ti6 n GLY 299 Ca -0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 1ti6 n GLY 299 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ti6 h PHE 300 N 0.00 1.00 -0.28 1.61 3.57 -1.91 -1.93 116.94 118.99 1ti6 h PHE 300 Ca -0.01 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.52 1ti6 h PHE 300 Cb 0.16 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 38.52 1ti6 h PHE 300 CO 0.09 0.71 -0.08 0.93 -2.23 0.00 0.00 178.31 177.73 1ti6 h GLU 301 N 1.00 -0.01 -0.41 1.11 3.07 -1.96 0.26 114.58 117.64 1ti6 h GLU 301 Ca 0.26 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.04 1ti6 h GLU 301 Cb 0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1ti6 h GLU 301 CO -0.04 -0.01 -0.04 0.93 -1.40 0.00 0.00 179.01 178.45 1ti6 h GLU 302 N -0.01 0.69 -0.37 2.33 3.07 -1.94 -2.32 114.58 116.03 1ti6 h GLU 302 Ca 0.14 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 1ti6 h GLU 302 Cb 0.22 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1ti6 h GLU 302 CO -0.30 0.74 -0.06 2.35 -1.40 0.00 0.00 179.01 180.34 1ti6 h TRP 303 N 0.64 0.77 -0.76 4.33 7.01 -0.55 -2.31 115.95 125.07 1ti6 h TRP 303 Ca 0.12 -0.16 0.03 0.00 2.11 0.00 0.00 58.89 61.00 1ti6 h TRP 303 Cb 0.46 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.29 1ti6 h TRP 303 CO 0.02 0.82 0.48 0.00 -2.79 0.00 0.00 178.44 176.98 1ti6 h ALA 304 N 0.84 1.00 -0.51 2.65 0.00 -0.32 -0.60 119.26 122.32 1ti6 h ALA 304 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ti6 h ALA 304 Cb 0.56 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ti6 h ALA 304 CO 0.03 0.28 0.21 -0.44 0.00 0.00 0.00 179.25 179.34 1ti6 h ASP 305 N 0.94 0.65 -0.12 0.00 3.32 -1.25 -0.94 116.42 119.03 1ti6 h ASP 305 Ca 0.31 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1ti6 h ASP 305 Cb 0.02 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1ti6 h ASP 305 CO -0.11 0.58 -0.01 0.22 -1.72 0.00 0.00 179.24 178.20 1ti6 h TYR 306 N 0.72 0.24 -0.89 4.55 3.20 -0.64 -1.42 116.97 122.73 1ti6 h TYR 306 Ca 0.18 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1ti6 h TYR 306 Cb 0.13 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1ti6 h TYR 306 CO 0.01 0.48 0.59 0.28 -1.64 0.00 0.00 178.16 177.88 1ti6 h VAL 307 N -0.07 1.20 0.00 1.81 2.07 -0.83 -0.97 116.25 119.47 1ti6 h VAL 307 Ca 0.03 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1ti6 h VAL 307 Cb 0.39 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1ti6 h VAL 307 CO 0.01 0.22 0.00 0.18 0.02 0.00 0.00 177.57 177.99 1ti6 n LEU 308 N -4.41 0.00 0.00 2.57 4.77 -0.39 -1.74 117.00 117.80 1ti6 n LEU 308 Ca 0.11 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1ti6 n LEU 308 Cb 0.05 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1ti6 n LEU 308 CO 0.36 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1ti6 n GLY 309 N 0.40 0.72 0.27 -0.72 0.00 -0.37 -4.31 105.19 101.18 1ti6 n GLY 309 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.28 1ti6 n GLY 309 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ti6 h LYS 310 N 2.46 0.00 0.00 1.61 1.57 -1.46 -0.69 116.57 120.06 1ti6 h LYS 310 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1ti6 h LYS 310 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1ti6 h LYS 310 CO 0.00 0.06 -1.94 0.25 -0.57 0.00 0.00 179.45 177.25 1ti6 n THR 311 N -3.23 0.62 0.14 -0.16 -2.24 -1.25 -4.62 114.28 103.53 1ti6 n THR 311 Ca -0.00 -0.55 0.02 0.00 -2.27 0.00 0.00 64.05 61.25 1ti6 n THR 311 Cb 0.29 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1ti6 n THR 311 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ti6 n ASP 312 N -2.37 1.32 -0.29 3.42 3.85 -1.24 -5.00 116.55 116.25 1ti6 n ASP 312 Ca -0.16 -1.17 -0.04 0.00 -0.71 0.00 0.00 54.79 52.71 1ti6 n ASP 312 Cb 0.77 -0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.52 1ti6 n ASP 312 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ti6 n GLY 313 N 0.18 0.65 2.73 6.12 0.00 -0.27 -4.99 105.19 109.62 1ti6 n GLY 313 Ca 0.02 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1ti6 n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s THR 314 N -1.97 1.47 0.24 2.61 2.01 -1.22 -5.02 115.64 113.76 1ti6 s THR 314 Ca 0.00 -2.55 -0.31 0.00 0.31 0.00 0.00 61.69 59.13 1ti6 s THR 314 Cb 0.00 -2.04 -0.12 0.00 0.01 0.00 0.00 72.50 70.35 1ti6 s THR 314 CO 0.00 -0.87 1.63 -2.65 -0.69 0.00 0.00 174.62 172.04 1ti6 n PRO 315 N 3.58 2.62 -1.58 4.92 -0.02 -1.26 -4.18 135.00 139.09 1ti6 n PRO 315 Ca 0.08 0.94 -0.40 0.00 -2.02 0.00 0.00 63.50 62.10 1ti6 n PRO 315 Cb 0.35 -2.74 -0.02 0.00 -0.02 0.00 0.00 33.50 31.07 1ti6 n PRO 315 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ti6 n LYS 316 N 3.04 3.58 -1.46 -0.52 4.76 -0.71 -4.85 118.16 122.00 1ti6 n LYS 316 Ca 0.13 -2.55 -0.29 0.00 -2.87 0.00 0.00 58.31 52.73 1ti6 n LYS 316 Cb 0.35 -2.92 0.13 0.00 -1.84 0.00 0.00 35.03 30.75 1ti6 n LYS 316 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ti6 s THR 317 N 1.92 2.27 0.34 -0.18 -4.23 -1.26 -3.58 115.64 110.92 1ti6 s THR 317 Ca 0.60 0.09 0.14 0.00 -1.18 0.00 0.00 61.69 61.33 1ti6 s THR 317 Cb 0.16 -2.78 0.09 0.00 1.34 0.00 0.00 72.50 71.32 1ti6 s THR 317 CO -0.07 -0.11 1.81 0.00 -0.54 0.00 0.00 174.62 175.70 1ti6 h GLU 319 N 0.00 0.59 -0.40 0.00 3.07 -1.93 -0.48 114.58 115.43 1ti6 h GLU 319 Ca -0.00 -0.40 -0.05 0.00 -0.50 0.00 0.00 59.36 58.41 1ti6 h GLU 319 Cb 0.72 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.67 1ti6 h GLU 319 CO 0.05 1.02 0.06 2.35 -1.40 0.00 0.00 179.01 181.09 1ti6 h TRP 320 N 0.44 0.70 -0.32 4.33 7.01 -1.77 -2.15 115.95 124.19 1ti6 h TRP 320 Ca -0.00 -0.10 -0.05 0.00 2.11 0.00 0.00 58.89 60.84 1ti6 h TRP 320 Cb 1.17 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 28.02 1ti6 h TRP 320 CO 0.05 0.69 -0.03 0.00 -2.79 0.00 0.00 178.44 176.36 1ti6 h ALA 321 N 0.92 1.35 -0.57 2.65 0.00 -0.97 -2.29 119.26 120.35 1ti6 h ALA 321 Ca 0.12 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1ti6 h ALA 321 Cb 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ti6 h ALA 321 CO 0.01 0.45 -0.05 1.49 0.00 0.00 0.00 179.25 181.15 1ti6 h GLU 322 N 0.48 1.03 -0.32 0.00 4.81 -0.85 0.67 114.58 120.39 1ti6 h GLU 322 Ca 0.10 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1ti6 h GLU 322 Cb 0.37 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1ti6 h GLU 322 CO 0.01 1.04 0.09 1.49 -0.73 0.00 0.00 179.01 180.92 1ti6 h GLU 323 N 0.92 0.46 0.03 1.92 4.81 -0.95 0.45 114.58 122.23 1ti6 h GLU 323 Ca 0.15 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1ti6 h GLU 323 Cb 0.61 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1ti6 h GLU 323 CO 0.04 0.42 -0.18 0.93 -0.73 0.00 0.00 179.01 179.49 1ti6 h GLU 324 N 0.46 0.07 0.00 1.92 4.39 -1.05 -3.41 114.58 116.97 1ti6 h GLU 324 Ca 0.11 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1ti6 h GLU 324 Cb 0.16 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1ti6 h GLU 324 CO -0.01 1.04 -1.80 -1.13 -1.16 0.00 0.00 179.01 175.96 1ti6 n SER 325 N -4.51 0.21 0.00 1.42 3.41 0.19 -4.78 113.62 109.57 1ti6 n SER 325 Ca -0.11 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1ti6 n SER 325 Cb 0.55 1.55 0.00 0.00 -0.26 0.00 0.00 64.21 66.05 1ti6 n SER 325 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ti6 n GLY 326 N 1.28 1.04 3.70 5.00 0.00 0.16 -1.63 105.19 114.73 1ti6 n GLY 326 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1ti6 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ti6 s VAL 327 N -3.20 5.04 -0.03 1.61 1.01 -1.26 -5.00 120.40 118.58 1ti6 s VAL 327 Ca 0.00 1.39 -0.37 0.00 0.00 0.00 0.00 61.98 63.00 1ti6 s VAL 327 Cb 0.00 -4.02 -0.16 0.00 0.00 0.00 0.00 36.38 32.20 1ti6 s VAL 327 CO 0.00 0.22 1.52 -2.65 0.00 0.00 0.00 175.10 174.18 1ti6 n PRO 328 N 4.09 1.31 -0.31 2.72 -0.02 -1.26 -4.03 135.00 137.50 1ti6 n PRO 328 Ca -0.01 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 62.02 1ti6 n PRO 328 Cb 0.51 -2.15 0.24 0.00 -0.02 0.00 0.00 33.50 32.07 1ti6 n PRO 328 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ti6 h ALA 329 N 5.75 1.35 -0.72 3.55 0.00 -1.94 -1.50 119.26 125.75 1ti6 h ALA 329 Ca -0.47 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1ti6 h ALA 329 Cb 1.32 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1ti6 h ALA 329 CO 0.85 -0.06 0.29 0.00 0.00 0.00 0.00 179.25 180.34 1ti6 h GLU 331 N 1.04 0.38 -0.34 0.00 5.08 -1.67 -0.54 114.58 118.53 1ti6 h GLU 331 Ca 0.24 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1ti6 h GLU 331 Cb 0.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1ti6 h GLU 331 CO -0.02 0.83 0.07 0.82 -1.00 0.00 0.00 179.01 179.71 1ti6 h ILE 332 N 0.29 1.23 -0.57 3.13 2.04 -1.02 -1.98 117.51 120.63 1ti6 h ILE 332 Ca 0.00 -0.78 -0.10 0.00 1.00 0.00 0.00 64.86 64.98 1ti6 h ILE 332 Cb 1.05 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1ti6 h ILE 332 CO 0.09 0.26 -0.05 -0.09 0.00 0.00 0.00 178.15 178.36 1ti6 h ARG 333 N 0.40 1.04 -0.65 2.37 2.43 -1.17 -1.82 114.38 116.99 1ti6 h ARG 333 Ca 0.11 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1ti6 h ARG 333 Cb 0.32 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1ti6 h ARG 333 CO 0.00 1.05 0.39 0.00 -1.51 0.00 0.00 179.97 179.90 1ti6 h ALA 334 N 0.98 0.83 -0.36 2.80 0.00 -0.97 -1.56 119.26 120.98 1ti6 h ALA 334 Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ti6 h ALA 334 Cb 0.61 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ti6 h ALA 334 CO 0.04 0.32 0.07 1.25 0.00 0.00 0.00 179.25 180.93 1ti6 h LEU 335 N 0.89 0.56 -0.44 0.00 5.85 -1.20 -1.64 115.31 119.33 1ti6 h LEU 335 Ca 0.23 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1ti6 h LEU 335 Cb -0.01 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 1ti6 h LEU 335 CO -0.04 0.66 0.16 0.00 -0.34 0.00 0.00 178.44 178.88 1ti6 h ALA 336 N 0.92 0.53 -0.33 1.25 0.00 -1.01 0.37 119.26 120.98 1ti6 h ALA 336 Ca 0.11 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ti6 h ALA 336 Cb 0.33 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ti6 h ALA 336 CO 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 179.25 179.04 1ti6 h ARG 337 N 0.33 0.57 -0.23 0.00 3.08 -1.20 -1.71 114.38 115.23 1ti6 h ARG 337 Ca 0.21 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1ti6 h ARG 337 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1ti6 h ARG 337 CO -0.20 0.69 0.09 0.37 -1.07 0.00 0.00 179.97 179.85 1ti6 h GLN 338 N 0.38 0.35 -0.73 0.04 5.75 -0.98 -2.49 115.11 117.43 1ti6 h GLN 338 Ca 0.10 -0.06 0.13 0.00 -0.15 0.00 0.00 58.65 58.66 1ti6 h GLN 338 Cb 0.43 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 28.83 1ti6 h GLN 338 CO 0.01 0.40 0.29 2.35 -2.65 0.00 0.00 178.83 179.24 1ti6 h TRP 339 N 0.22 0.51 -0.31 3.99 2.91 -0.18 -0.78 115.95 122.30 1ti6 h TRP 339 Ca 0.08 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.10 1ti6 h TRP 339 Cb 0.18 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.70 1ti6 h TRP 339 CO -0.01 0.09 0.09 0.00 -1.03 0.00 0.00 178.44 177.58 1ti6 h ALA 340 N 1.51 0.41 0.00 2.65 0.00 -1.04 -3.26 119.26 119.53 1ti6 h ALA 340 Ca 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ti6 h ALA 340 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ti6 h ALA 340 CO -0.37 0.05 -0.29 0.36 0.00 0.00 0.00 179.25 179.01 1ti6 n LYS 341 N -4.68 0.21 -4.14 0.00 2.85 -0.91 -4.90 118.16 106.60 1ti6 n LYS 341 Ca -0.02 0.11 -0.25 0.00 -1.05 0.00 0.00 58.31 57.11 1ti6 n LYS 341 Cb 0.17 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 32.81 1ti6 n LYS 341 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1ti6 s LYS 342 N -3.10 2.74 -0.60 -1.58 -0.14 -0.35 -5.03 119.74 111.69 1ti6 s LYS 342 Ca 0.10 -1.03 -0.27 0.00 -1.36 0.00 0.00 55.97 53.41 1ti6 s LYS 342 Cb 0.14 -2.51 -0.01 0.00 -1.68 0.00 0.00 37.83 33.77 1ti6 s LYS 342 CO 0.64 0.44 1.72 -0.80 -0.76 0.00 0.00 175.35 176.60 1ti6 s ASN 343 N -3.33 5.55 -0.10 2.83 0.01 -1.26 -4.85 114.94 113.79 1ti6 s ASN 343 Ca 0.31 0.31 0.01 0.00 -0.71 0.00 0.00 52.86 52.78 1ti6 s ASN 343 Cb -0.09 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 1ti6 s ASN 343 CO 0.22 -2.16 -0.12 -0.89 -1.51 0.00 0.00 177.10 172.64 1ti6 s THR 344 N 8.06 3.16 -0.12 1.60 2.01 -0.87 -1.08 115.64 128.40 1ti6 s THR 344 Ca 0.62 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 1ti6 s THR 344 Cb -0.13 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1ti6 s THR 344 CO 0.22 0.55 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.37 1ti6 s TYR 345 N -0.12 3.09 -0.43 4.92 1.51 -0.46 -3.69 117.35 122.17 1ti6 s TYR 345 Ca -0.01 -0.01 -0.18 0.00 -1.01 0.00 0.00 57.07 55.86 1ti6 s TYR 345 Cb -0.14 -1.86 0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1ti6 s TYR 345 CO 0.03 0.25 0.47 -1.17 -1.11 0.00 0.00 175.55 174.02 1ti6 s LEU 346 N -0.32 4.87 -1.20 -1.29 2.96 0.00 -1.36 118.68 122.34 1ti6 s LEU 346 Ca 0.06 -0.68 -0.13 0.00 -0.22 0.00 0.00 54.13 53.16 1ti6 s LEU 346 Cb -0.12 -2.42 0.19 0.00 0.50 0.00 0.00 46.19 44.34 1ti6 s LEU 346 CO 0.02 -0.62 1.40 0.00 -1.32 0.00 0.00 176.35 175.83 1ti6 n ALA 347 N 5.69 3.97 -2.64 5.97 0.00 0.15 -1.36 120.51 132.29 1ti6 n ALA 347 Ca -0.07 -4.32 -0.42 0.00 0.00 0.00 0.00 53.44 48.64 1ti6 n ALA 347 Cb 0.47 -2.96 -0.05 0.00 0.00 0.00 0.00 19.45 16.92 1ti6 n ALA 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ti6 s ALA 348 N 1.07 3.64 0.11 0.00 0.00 -1.26 -0.89 121.76 124.44 1ti6 s ALA 348 Ca 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1ti6 s ALA 348 Cb -0.04 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1ti6 s ALA 348 CO -0.01 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1ti6 n GLY 349 N 3.84 -2.27 0.12 0.00 0.00 -0.61 -0.87 105.19 105.40 1ti6 n GLY 349 Ca 0.04 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.79 1ti6 n GLY 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ti6 h GLY 350 N -0.30 0.00 0.00 -0.02 0.00 -1.72 -3.36 103.07 97.68 1ti6 h GLY 350 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.04 1ti6 h GLY 350 CO 0.01 0.00 -2.25 -0.10 0.00 0.00 0.00 176.54 174.20 1ti6 n LEU 351 N -2.41 0.00 0.00 3.11 7.94 -1.26 -3.77 117.00 120.60 1ti6 n LEU 351 Ca 0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1ti6 n LEU 351 Cb 0.46 0.36 0.00 0.00 0.53 0.00 0.00 43.42 44.77 1ti6 n LEU 351 CO 0.34 0.36 0.00 0.61 -1.11 0.00 0.00 177.39 177.59 1ti6 n GLY 352 N 1.66 0.78 0.00 -3.96 0.00 -1.24 -4.50 105.19 97.94 1ti6 n GLY 352 Ca -0.25 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1ti6 n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 353 N 0.00 -0.66 7.00 -0.02 0.00 -0.05 -4.21 105.19 107.25 1ti6 n GLY 353 Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1ti6 n GLY 353 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ti6 n TRP 354 N -0.27 -0.65 0.00 1.61 8.01 -1.26 -3.74 117.44 121.14 1ti6 n TRP 354 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1ti6 n TRP 354 Cb 0.00 0.15 0.00 0.00 -2.01 0.00 0.00 31.31 29.45 1ti6 n TRP 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ti6 n GLY 355 N 0.00 2.97 0.33 6.99 0.00 -1.26 -3.91 105.19 110.31 1ti6 n GLY 355 Ca 0.00 -1.40 0.16 0.00 0.00 0.00 0.00 46.02 44.78 1ti6 n GLY 355 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ti6 h GLY 356 N 0.00 0.00 2.00 -0.02 0.00 -1.94 -0.30 103.07 102.81 1ti6 h GLY 356 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1ti6 h GLY 356 CO 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.47 1ti6 h ALA 357 N 1.82 1.45 0.00 3.60 0.00 -1.89 -2.42 119.26 121.83 1ti6 h ALA 357 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ti6 h ALA 357 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ti6 h ALA 357 CO -0.00 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1ti6 n ARG 359 N -2.87 3.17 -3.94 0.00 1.85 -0.91 -0.11 116.66 113.84 1ti6 n ARG 359 Ca 0.03 -4.66 -0.09 0.00 -1.00 0.00 0.00 57.85 52.13 1ti6 n ARG 359 Cb 0.42 -2.33 -0.06 0.00 -1.05 0.00 0.00 32.46 29.44 1ti6 n ARG 359 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ti6 s ALA 360 N -2.66 -0.28 0.15 2.89 0.00 -1.25 -1.15 121.76 119.46 1ti6 s ALA 360 Ca 0.38 -0.77 0.29 0.00 0.00 0.00 0.00 51.96 51.85 1ti6 s ALA 360 Cb 0.13 0.98 1.55 0.00 0.00 0.00 0.00 23.12 25.78 1ti6 s ALA 360 CO 0.01 -0.79 1.86 0.66 0.00 0.00 0.00 175.76 177.51 1ti6 h SER 361 N 2.33 0.00 -0.25 0.00 4.64 -1.85 0.83 113.55 119.24 1ti6 h SER 361 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1ti6 h SER 361 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ti6 h SER 361 CO 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.35 1ti6 n HIS 362 N -2.53 0.50 -0.34 4.77 1.44 -1.26 -4.50 115.22 113.30 1ti6 n HIS 362 Ca -0.02 -0.63 0.11 0.00 -2.01 0.00 0.00 57.72 55.17 1ti6 n HIS 362 Cb 0.10 -0.12 0.32 0.00 0.12 0.00 0.00 29.99 30.41 1ti6 n HIS 362 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 1ti6 h GLY 363 N 1.56 1.58 0.94 -1.39 0.00 -0.90 -1.20 103.07 103.66 1ti6 h GLY 363 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1ti6 h GLY 363 CO 0.06 0.04 0.11 -2.22 0.00 0.00 0.00 176.54 174.53 1ti6 h ILE 364 N 0.81 1.22 0.00 2.60 2.04 -1.80 -2.29 117.51 120.09 1ti6 h ILE 364 Ca 0.52 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 1ti6 h ILE 364 Cb 0.76 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1ti6 h ILE 364 CO -0.30 0.26 -0.50 -0.33 0.00 0.00 0.00 178.15 177.28 1ti6 h GLU 365 N 0.50 0.00 -0.04 2.37 4.39 -1.80 -2.28 114.58 117.72 1ti6 h GLU 365 Ca 0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1ti6 h GLU 365 Cb 0.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1ti6 h GLU 365 CO -0.00 0.50 -0.01 2.35 -1.16 0.00 0.00 179.01 180.68 1ti6 h TRP 366 N 0.00 0.10 -0.27 4.33 7.01 -1.13 0.80 115.95 126.79 1ti6 h TRP 366 Ca -0.00 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1ti6 h TRP 366 Cb 1.23 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.25 1ti6 h TRP 366 CO 0.00 0.43 0.18 0.00 -2.79 0.00 0.00 178.44 176.27 1ti6 h ALA 367 N 0.65 0.35 0.00 2.65 0.00 -1.42 0.49 119.26 121.97 1ti6 h ALA 367 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1ti6 h ALA 367 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ti6 h ALA 367 CO 0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 179.25 178.80 1ti6 h ARG 368 N 0.37 0.00 -0.38 0.00 3.08 -1.41 -1.57 114.38 114.48 1ti6 h ARG 368 Ca 0.10 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 1ti6 h ARG 368 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1ti6 h ARG 368 CO -0.02 0.27 -0.32 0.78 -1.07 0.00 0.00 179.97 179.61 1ti6 h GLY 369 N 0.92 0.91 1.26 0.04 0.00 0.04 0.77 103.07 107.01 1ti6 h GLY 369 Ca -0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 47.33 46.37 1ti6 h GLY 369 CO 0.04 0.78 -0.10 -0.33 0.00 0.00 0.00 176.54 176.93 1ti6 h MET 370 N 0.70 0.88 -0.41 4.80 2.86 -0.25 -1.48 114.93 122.03 1ti6 h MET 370 Ca 0.07 -0.30 -0.13 0.00 -2.06 0.00 0.00 59.70 57.29 1ti6 h MET 370 Cb 0.87 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1ti6 h MET 370 CO 0.08 0.93 -0.25 0.82 1.06 0.00 0.00 176.91 179.55 1ti6 h ILE 371 N 0.79 1.27 0.11 -1.22 2.04 -1.12 -1.87 117.51 117.51 1ti6 h ILE 371 Ca 0.13 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 1ti6 h ILE 371 Cb 0.61 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1ti6 h ILE 371 CO 0.04 0.47 -0.05 0.00 0.00 0.00 0.00 178.15 178.61 1ti6 h ALA 372 N 0.97 -0.14 -0.06 1.87 0.00 -0.44 -1.05 119.26 120.41 1ti6 h ALA 372 Ca 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ti6 h ALA 372 Cb 0.80 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ti6 h ALA 372 CO 0.07 -0.57 0.02 -0.07 0.00 0.00 0.00 179.25 178.70 1ti6 h LEU 373 N -0.16 0.08 -1.27 0.00 4.07 -1.25 -1.26 115.31 115.51 1ti6 h LEU 373 Ca -0.01 -0.15 0.02 0.00 0.08 0.00 0.00 57.88 57.82 1ti6 h LEU 373 Cb 0.12 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 1ti6 h LEU 373 CO 0.02 0.20 0.50 0.00 -1.08 0.00 0.00 178.44 178.08 1ti6 h ALA 374 N 0.88 1.50 -0.27 1.53 0.00 -1.31 -2.58 119.26 119.01 1ti6 h ALA 374 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1ti6 h ALA 374 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ti6 h ALA 374 CO -0.00 0.45 -0.01 1.15 0.00 0.00 0.00 179.25 180.84 1ti6 h THR 375 N 0.98 1.26 0.00 0.00 2.02 -0.99 -2.01 112.91 114.19 1ti6 h THR 375 Ca 0.28 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1ti6 h THR 375 Cb -0.06 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1ti6 h THR 375 CO -0.07 0.30 -0.07 0.24 0.37 0.00 0.00 175.52 176.30 1ti6 h MET 376 N 0.26 0.00 -0.49 6.66 2.07 -0.86 -1.12 114.93 121.46 1ti6 h MET 376 Ca 0.07 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1ti6 h MET 376 Cb 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.17 1ti6 h MET 376 CO 0.02 0.07 0.00 1.04 1.07 0.00 0.00 176.91 179.10 1ti6 n GLN 377 N -4.05 2.19 -2.53 1.72 1.13 -1.02 -0.62 117.38 114.20 1ti6 n GLN 377 Ca -0.03 -1.84 -0.09 0.00 -1.94 0.00 0.00 57.00 53.11 1ti6 n GLN 377 Cb 0.15 -1.41 0.04 0.00 0.11 0.00 0.00 30.24 29.13 1ti6 n GLN 377 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ti6 n GLY 378 N 1.32 -0.33 3.76 1.08 0.00 -0.42 -4.79 105.19 105.81 1ti6 n GLY 378 Ca 0.17 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 1ti6 n GLY 378 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ti6 n MET 379 N -2.49 2.67 0.00 1.61 0.00 -0.77 -3.01 117.12 115.13 1ti6 n MET 379 Ca -0.04 0.94 0.00 0.00 0.00 0.00 0.00 57.70 58.60 1ti6 n MET 379 Cb 0.57 -2.69 0.00 0.00 0.00 0.00 0.00 33.22 31.10 1ti6 n MET 379 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ti6 n GLY 380 N 1.22 1.72 3.88 3.17 0.00 -0.49 -4.49 105.19 110.21 1ti6 n GLY 380 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1ti6 n GLY 380 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s LYS 381 N -0.11 3.68 0.04 1.61 -2.85 -1.16 -3.93 119.74 117.02 1ti6 s LYS 381 Ca 0.00 0.45 -0.35 0.00 -1.00 0.00 0.00 55.97 55.07 1ti6 s LYS 381 Cb 0.00 -2.32 -0.14 0.00 -2.06 0.00 0.00 37.83 33.31 1ti6 s LYS 381 CO 0.00 -0.20 1.62 -2.30 0.10 0.00 0.00 175.35 174.58 1ti6 n PRO 382 N -1.88 1.87 -0.72 1.78 -0.02 -1.26 -1.85 135.00 132.91 1ti6 n PRO 382 Ca 0.03 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1ti6 n PRO 382 Cb 0.54 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1ti6 n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ti6 n GLY 383 N 3.55 0.78 3.00 -1.23 0.00 -1.26 -5.02 105.19 105.02 1ti6 n GLY 383 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1ti6 n GLY 383 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ti6 s SER 384 N -2.63 0.38 -0.00 1.61 0.15 -0.77 -2.06 113.70 110.38 1ti6 s SER 384 Ca 0.00 0.50 -0.29 0.00 0.70 0.00 0.00 55.95 56.86 1ti6 s SER 384 Cb 0.00 0.83 0.11 0.00 -1.71 0.00 0.00 66.02 65.24 1ti6 s SER 384 CO 0.00 -0.26 1.27 0.21 1.20 0.00 0.00 173.24 175.66 1ti6 s ASN 385 N 2.46 -0.02 -0.36 5.45 3.84 -1.24 -1.40 114.94 123.67 1ti6 s ASN 385 Ca 0.03 -0.20 -0.15 0.00 0.21 0.00 0.00 52.86 52.75 1ti6 s ASN 385 Cb -0.13 0.18 -0.01 0.00 -0.55 0.00 0.00 41.25 40.74 1ti6 s ASN 385 CO -0.11 -0.34 0.32 -0.32 -2.79 0.00 0.00 177.10 173.86 1ti6 s MET 386 N -2.23 3.41 -0.14 0.43 1.75 -1.26 -0.82 119.30 120.45 1ti6 s MET 386 Ca 0.22 -0.61 -0.07 0.00 -1.25 0.00 0.00 55.69 53.97 1ti6 s MET 386 Cb 0.02 -3.85 0.06 0.00 2.84 0.00 0.00 34.83 33.90 1ti6 s MET 386 CO -0.02 -0.56 0.31 -0.46 -0.65 0.00 0.00 175.02 173.64 1ti6 s TRP 387 N 1.88 -0.47 -1.43 4.11 -0.00 -0.46 -4.89 118.94 117.68 1ti6 s TRP 387 Ca 0.09 1.03 0.20 0.00 -0.00 0.00 0.00 56.10 57.42 1ti6 s TRP 387 Cb -0.17 0.13 0.71 0.00 -0.00 0.00 0.00 33.47 34.14 1ti6 s TRP 387 CO 0.11 -0.30 1.62 0.43 -0.00 0.00 0.00 176.95 178.80 1ti6 n SER 388 N 4.48 4.57 0.00 5.86 7.64 -1.26 -3.03 113.62 131.88 1ti6 n SER 388 Ca -0.21 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.37 1ti6 n SER 388 Cb 0.53 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1ti6 n SER 388 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ti6 n THR 389 N 1.34 0.00 -0.03 0.44 -2.24 -1.26 -4.82 114.28 107.71 1ti6 n THR 389 Ca 0.26 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.87 1ti6 n THR 389 Cb 0.82 -0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 68.54 1ti6 n THR 389 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ti6 n THR 390 N -2.05 1.66 -3.05 4.28 -2.24 -1.26 -4.89 114.28 106.73 1ti6 n THR 390 Ca 0.00 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1ti6 n THR 390 Cb 0.04 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 1ti6 n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ti6 n GLN 391 N -3.28 1.46 -0.47 -0.78 6.02 -1.26 -4.24 117.38 114.82 1ti6 n GLN 391 Ca -0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 1ti6 n GLN 391 Cb 1.05 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.31 1ti6 n GLN 391 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ti6 n GLY 392 N 5.00 0.74 3.75 1.08 0.00 -1.21 -4.40 105.19 110.15 1ti6 n GLY 392 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ti6 n GLY 392 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ti6 s VAL 393 N -2.93 2.46 0.00 1.61 1.01 -1.19 -1.89 120.40 119.47 1ti6 s VAL 393 Ca 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 1ti6 s VAL 393 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1ti6 s VAL 393 CO 0.00 0.07 1.30 -2.65 0.00 0.00 0.00 175.10 173.81 1ti6 n PRO 394 N 2.15 0.62 -1.49 2.72 -0.02 -1.26 -4.63 135.00 133.09 1ti6 n PRO 394 Ca 0.07 -0.19 -0.29 0.00 -2.02 0.00 0.00 63.50 61.07 1ti6 n PRO 394 Cb 0.39 -1.48 0.15 0.00 -0.02 0.00 0.00 33.50 32.55 1ti6 n PRO 394 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ti6 s LEU 395 N 0.00 1.91 -1.04 2.45 1.43 -1.26 -4.77 118.68 117.39 1ti6 s LEU 395 Ca 0.13 0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 53.91 1ti6 s LEU 395 Cb 0.06 -3.15 0.03 0.00 0.03 0.00 0.00 46.19 43.16 1ti6 s LEU 395 CO 0.00 -2.75 1.60 -0.62 0.23 0.00 0.00 176.35 174.81 1ti6 s ASP 396 N -4.02 6.23 0.58 2.29 3.68 -1.26 -4.78 116.67 119.38 1ti6 s ASP 396 Ca 0.65 -1.45 0.39 0.00 2.13 0.00 0.00 52.55 54.27 1ti6 s ASP 396 Cb -0.14 -2.57 2.07 0.00 -1.45 0.00 0.00 42.92 40.83 1ti6 s ASP 396 CO 0.54 -1.76 2.18 1.88 0.13 0.00 0.00 175.17 178.14 1ti6 h TYR 397 N 9.78 0.00 0.00 -5.34 0.99 -1.95 -2.00 116.97 118.44 1ti6 h TYR 397 Ca 0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.94 1ti6 h TYR 397 Cb 0.99 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.72 1ti6 h TYR 397 CO 1.29 0.00 -0.03 0.93 -0.00 0.00 0.00 178.16 180.35 1ti6 h GLU 398 N 0.00 0.00 -6.45 4.88 5.08 -2.01 -3.44 114.58 112.64 1ti6 h GLU 398 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1ti6 h GLU 398 Cb 0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1ti6 h GLU 398 CO 0.00 0.00 0.31 0.12 -1.00 0.00 0.00 179.01 178.44 1ti6 s PHE 399 N -3.18 3.75 -0.19 4.33 5.36 -0.75 -5.04 117.98 122.27 1ti6 s PHE 399 Ca 0.08 1.69 -0.05 0.00 -0.96 0.00 0.00 56.93 57.69 1ti6 s PHE 399 Cb 0.08 -3.01 -0.03 0.00 -0.34 0.00 0.00 43.02 39.72 1ti6 s PHE 399 CO 0.65 0.17 0.01 -0.47 -1.46 0.00 0.00 175.22 174.11 1ti6 s TYR 400 N 0.24 3.07 -0.17 10.12 5.04 -1.26 -5.03 117.35 129.35 1ti6 s TYR 400 Ca 0.46 -0.32 -0.07 0.00 -2.44 0.00 0.00 57.07 54.70 1ti6 s TYR 400 Cb -0.22 -2.06 0.08 0.00 0.35 0.00 0.00 41.96 40.11 1ti6 s TYR 400 CO 0.27 -0.12 0.38 0.12 -1.34 0.00 0.00 175.55 174.86 1ti6 s PHE 401 N 0.76 -0.66 0.46 4.97 5.36 -1.26 -1.55 117.98 126.07 1ti6 s PHE 401 Ca 0.01 1.33 -0.24 0.00 -0.96 0.00 0.00 56.93 57.07 1ti6 s PHE 401 Cb -0.14 0.22 -0.08 0.00 -0.34 0.00 0.00 43.02 42.68 1ti6 s PHE 401 CO 0.02 -0.42 1.34 -2.30 -1.46 0.00 0.00 175.22 172.40 1ti6 n PRO 402 N 5.08 1.96 -3.17 10.12 -0.02 -1.26 -5.05 135.00 142.66 1ti6 n PRO 402 Ca -0.12 0.70 -0.21 0.00 -2.02 0.00 0.00 63.50 61.85 1ti6 n PRO 402 Cb 0.51 -2.50 0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1ti6 n PRO 402 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ti6 s GLY 403 N -0.61 1.59 0.53 -1.23 0.00 -1.26 -4.78 107.32 101.56 1ti6 s GLY 403 Ca 0.64 -1.23 0.19 0.00 0.00 0.00 0.00 44.72 44.32 1ti6 s GLY 403 CO 0.56 -1.09 2.16 0.10 0.00 0.00 0.00 173.10 174.83 1ti6 h TYR 404 N 0.59 0.00 0.00 1.90 -0.00 -1.43 -2.17 116.97 115.85 1ti6 h TYR 404 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 1ti6 h TYR 404 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.99 1ti6 h TYR 404 CO 0.44 0.01 0.00 0.00 -0.00 0.00 0.00 178.16 178.61 1ti6 n ALA 405 N -2.48 1.58 0.96 0.10 0.00 -0.77 -2.89 120.51 117.01 1ti6 n ALA 405 Ca -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.39 1ti6 n ALA 405 Cb 0.10 -1.18 0.10 0.00 0.00 0.00 0.00 19.45 18.47 1ti6 n ALA 405 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ti6 n GLU 406 N -1.41 1.75 0.00 0.00 1.02 -0.82 -0.39 120.64 120.80 1ti6 n GLU 406 Ca 0.04 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 1ti6 n GLU 406 Cb 0.11 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1ti6 n GLU 406 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti6 n GLY 407 N 0.55 2.75 7.00 0.62 0.00 -1.14 -2.67 105.19 112.30 1ti6 n GLY 407 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ti6 n GLY 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 408 N -2.00 3.24 0.42 -0.02 0.00 -1.26 -1.06 105.19 104.52 1ti6 n GLY 408 Ca 0.00 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1ti6 n GLY 408 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ti6 n ILE 409 N 0.00 0.08 0.05 -0.61 -5.35 -1.26 -4.12 119.36 108.15 1ti6 n ILE 409 Ca 0.00 -0.24 -0.19 0.00 -0.27 0.00 0.00 62.75 62.05 1ti6 n ILE 409 Cb 0.00 0.29 -0.14 0.00 -1.74 0.00 0.00 39.64 38.04 1ti6 n ILE 409 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1ti6 h SER 410 N 1.87 0.44 -0.73 7.28 4.64 -1.20 -3.43 113.55 122.41 1ti6 h SER 410 Ca 0.00 -0.68 -0.32 0.00 -0.47 0.00 0.00 61.79 60.32 1ti6 h SER 410 Cb 0.40 -0.14 -0.12 0.00 -0.31 0.00 0.00 62.40 62.23 1ti6 h SER 410 CO 0.00 1.58 -0.29 0.61 -0.87 0.00 0.00 176.83 177.86 1ti6 n GLY 411 N 1.76 1.54 3.55 -0.77 0.00 -1.25 -0.43 105.19 109.60 1ti6 n GLY 411 Ca -0.21 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1ti6 n GLY 411 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ti6 s ASP 412 N -2.75 5.40 0.00 1.61 -1.08 -1.26 -4.68 116.67 113.91 1ti6 s ASP 412 Ca 0.00 0.23 0.23 0.00 -0.52 0.00 0.00 52.55 52.49 1ti6 s ASP 412 Cb 0.00 -2.53 1.35 0.00 -1.46 0.00 0.00 42.92 40.28 1ti6 s ASP 412 CO 0.00 -2.29 1.74 0.00 0.52 0.00 0.00 175.17 175.14 1ti6 n GLU 414 N -1.02 1.57 -0.15 0.00 2.13 -1.26 -4.54 120.64 117.36 1ti6 n GLU 414 Ca 0.17 -0.03 0.05 0.00 0.66 0.00 0.00 57.16 58.01 1ti6 n GLU 414 Cb 0.09 -1.13 0.13 0.00 0.27 0.00 0.00 31.44 30.80 1ti6 n GLU 414 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ti6 n ASN 415 N -1.92 2.76 -3.60 4.31 3.02 -1.22 -4.99 115.26 113.61 1ti6 n ASN 415 Ca -0.04 -1.93 -0.12 0.00 -0.03 0.00 0.00 54.58 52.46 1ti6 n ASN 415 Cb 0.39 -0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.32 1ti6 n ASN 415 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ti6 s SER 416 N -0.99 0.41 -0.17 6.41 1.04 -1.04 -5.01 113.70 114.36 1ti6 s SER 416 Ca 0.21 -1.24 0.11 0.00 0.48 0.00 0.00 55.95 55.50 1ti6 s SER 416 Cb 0.11 0.62 0.60 0.00 0.10 0.00 0.00 66.02 67.45 1ti6 s SER 416 CO 0.15 -1.22 1.42 0.00 0.98 0.00 0.00 173.24 174.57 1ti6 n ALA 417 N -0.47 3.48 0.20 5.32 0.00 0.48 -4.44 120.51 125.08 1ti6 n ALA 417 Ca -0.00 -1.39 0.15 0.00 0.00 0.00 0.00 53.44 52.19 1ti6 n ALA 417 Cb 0.62 -1.09 0.77 0.00 0.00 0.00 0.00 19.45 19.75 1ti6 n ALA 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ti6 h ALA 418 N 3.51 1.93 0.00 0.00 0.00 -1.70 -2.18 119.26 120.81 1ti6 h ALA 418 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ti6 h ALA 418 Cb 1.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1ti6 h ALA 418 CO 0.35 -0.24 0.00 0.78 0.00 0.00 0.00 179.25 180.14 1ti6 h GLY 419 N 0.00 0.00 0.61 0.00 0.00 -1.80 -0.55 103.07 101.33 1ti6 h GLY 419 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 1ti6 h GLY 419 CO -0.00 0.00 -0.26 -2.75 0.00 0.00 0.00 176.54 173.52 1ti6 h PHE 420 N 0.00 0.36 0.00 5.60 3.57 -1.76 -3.47 116.94 121.24 1ti6 h PHE 420 Ca 0.00 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1ti6 h PHE 420 Cb 0.28 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1ti6 h PHE 420 CO 0.00 0.89 0.00 1.17 -2.23 0.00 0.00 178.31 178.14 1ti6 n LYS 421 N -4.49 0.00 -0.25 1.11 4.81 -1.20 -5.00 118.16 113.15 1ti6 n LYS 421 Ca -0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.33 1ti6 n LYS 421 Cb 0.47 -0.06 0.09 0.00 0.02 0.00 0.00 35.03 35.55 1ti6 n LYS 421 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1ti6 h PHE 422 N 0.00 0.80 -0.89 5.64 3.57 -1.83 -2.52 116.94 121.71 1ti6 h PHE 422 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1ti6 h PHE 422 Cb 0.00 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.42 1ti6 h PHE 422 CO 0.00 0.44 0.58 0.00 -2.23 0.00 0.00 178.31 177.10 1ti6 h ALA 423 N 1.31 1.62 0.00 2.41 0.00 -1.36 0.54 119.26 123.79 1ti6 h ALA 423 Ca 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1ti6 h ALA 423 Cb 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ti6 h ALA 423 CO -0.13 0.20 -0.05 -1.49 0.00 0.00 0.00 179.25 177.78 1ti6 h TRP 424 N 0.90 0.00 0.07 0.00 4.06 -1.66 -2.04 115.95 117.28 1ti6 h TRP 424 Ca 0.41 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.99 1ti6 h TRP 424 Cb 0.38 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.50 1ti6 h TRP 424 CO -0.00 0.05 -2.14 0.54 -3.56 0.00 0.00 178.44 173.33 1ti6 n ARG 425 N -3.15 0.71 -0.00 0.49 1.74 -0.17 -4.53 116.66 111.75 1ti6 n ARG 425 Ca 0.01 0.21 -0.14 0.00 -0.77 0.00 0.00 57.85 57.16 1ti6 n ARG 425 Cb 0.40 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 1ti6 n ARG 425 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1ti6 h MET 426 N 0.04 0.67 -6.35 5.56 4.05 0.03 -3.45 114.93 115.47 1ti6 h MET 426 Ca -0.47 -0.53 -0.67 0.00 -0.28 0.00 0.00 59.70 57.75 1ti6 h MET 426 Cb 2.00 0.11 -0.17 0.00 -0.80 0.00 0.00 31.60 32.74 1ti6 h MET 426 CO 0.03 1.15 -0.72 -0.06 0.23 0.00 0.00 176.91 177.54 1ti6 s PHE 427 N -3.75 2.84 -0.44 1.39 0.40 -0.77 -4.98 117.98 112.67 1ti6 s PHE 427 Ca -0.09 -0.08 0.09 0.00 -0.60 0.00 0.00 56.93 56.26 1ti6 s PHE 427 Cb 0.09 -1.57 -0.10 0.00 0.51 0.00 0.00 43.02 41.95 1ti6 s PHE 427 CO 0.88 0.37 0.40 -0.40 0.70 0.00 0.00 175.22 177.17 1ti6 n ASP 428 N 1.43 0.48 -1.08 1.36 5.68 -1.25 -4.72 116.55 118.44 1ti6 n ASP 428 Ca -0.15 -0.71 -0.10 0.00 -0.50 0.00 0.00 54.79 53.32 1ti6 n ASP 428 Cb 0.52 1.01 -0.01 0.00 -1.14 0.00 0.00 41.12 41.50 1ti6 n ASP 428 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ti6 n GLY 429 N 1.23 0.23 1.94 6.12 0.00 -1.25 -4.84 105.19 108.63 1ti6 n GLY 429 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1ti6 n GLY 429 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ti6 n LYS 430 N -2.15 0.00 -0.01 1.61 5.02 -1.26 -4.99 118.16 116.38 1ti6 n LYS 430 Ca -0.12 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.22 1ti6 n LYS 430 Cb 0.53 -0.03 -0.09 0.00 -0.02 0.00 0.00 35.03 35.42 1ti6 n LYS 430 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ti6 n THR 431 N -3.42 0.12 -3.98 -0.18 -2.24 -1.26 -4.99 114.28 98.32 1ti6 n THR 431 Ca 0.00 -0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.31 1ti6 n THR 431 Cb 0.00 0.08 -0.15 0.00 -2.10 0.00 0.00 70.33 68.16 1ti6 n THR 431 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ti6 s THR 432 N -2.75 0.21 0.14 4.28 -1.32 -1.26 -5.09 115.64 109.85 1ti6 s THR 432 Ca -0.05 -0.01 0.08 0.00 -1.21 0.00 0.00 61.69 60.50 1ti6 s THR 432 Cb 0.07 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.77 1ti6 s THR 432 CO 0.50 0.12 -0.18 -0.36 -2.21 0.00 0.00 174.62 172.49 1ti6 s PHE 433 N 0.59 1.69 0.93 9.09 0.40 -1.26 -3.77 117.98 125.64 1ti6 s PHE 433 Ca -0.06 -0.48 -0.14 0.00 -0.60 0.00 0.00 56.93 55.66 1ti6 s PHE 433 Cb -0.09 -0.87 0.15 0.00 0.51 0.00 0.00 43.02 42.72 1ti6 s PHE 433 CO -0.01 0.25 1.17 -2.14 0.70 0.00 0.00 175.22 175.19 1ti6 s PRO 434 N -2.55 0.97 -0.43 0.24 0.02 -1.26 -5.00 135.00 126.99 1ti6 s PRO 434 Ca 0.11 0.11 0.02 0.00 0.02 0.00 0.00 61.00 61.27 1ti6 s PRO 434 Cb -0.06 -1.84 0.12 0.00 0.02 0.00 0.00 34.50 32.74 1ti6 s PRO 434 CO 0.05 -2.28 0.20 0.45 -0.33 0.00 0.00 177.00 175.10 1ti6 s SER 435 N -4.26 4.03 0.57 2.53 0.15 0.43 -5.01 113.70 112.14 1ti6 s SER 435 Ca 0.66 -2.54 -0.08 0.00 0.70 0.00 0.00 55.95 54.69 1ti6 s SER 435 Cb -0.12 -1.26 -0.03 0.00 -1.71 0.00 0.00 66.02 62.91 1ti6 s SER 435 CO 0.53 -0.29 0.93 -2.16 1.20 0.00 0.00 173.24 173.45 1ti6 s PRO 436 N 0.42 3.49 -0.13 5.44 0.05 -1.26 -4.50 135.00 138.51 1ti6 s PRO 436 Ca 0.15 0.47 0.01 0.00 0.05 0.00 0.00 61.00 61.69 1ti6 s PRO 436 Cb -0.23 -2.20 0.02 0.00 0.05 0.00 0.00 34.50 32.13 1ti6 s PRO 436 CO -0.04 -0.47 -0.16 0.45 0.05 0.00 0.00 177.00 176.83 1ti6 s SER 437 N -4.17 2.61 0.00 6.66 0.15 -1.26 -4.71 113.70 112.98 1ti6 s SER 437 Ca 0.52 -0.47 0.17 0.00 0.70 0.00 0.00 55.95 56.87 1ti6 s SER 437 Cb -0.11 -1.17 0.50 0.00 -1.71 0.00 0.00 66.02 63.53 1ti6 s SER 437 CO 0.50 0.00 1.40 -0.46 1.20 0.00 0.00 173.24 175.89 1ti6 n ASN 438 N 4.35 2.36 -0.04 5.45 6.94 -1.26 -4.13 115.26 128.93 1ti6 n ASN 438 Ca -0.19 -1.92 -0.05 0.00 -0.02 0.00 0.00 54.58 52.40 1ti6 n ASN 438 Cb 0.51 -0.25 -0.04 0.00 -2.36 0.00 0.00 39.78 37.64 1ti6 n ASN 438 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ti6 n LEU 439 N 0.78 2.78 -3.56 -4.53 4.77 -1.26 -4.65 117.00 111.33 1ti6 n LEU 439 Ca 0.16 -0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 1ti6 n LEU 439 Cb 0.40 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1ti6 n LEU 439 CO 0.12 0.60 2.71 -3.20 -1.33 0.00 0.00 177.39 176.29 1ti6 n ASN 440 N -2.70 6.66 -3.92 -1.43 5.15 -1.26 -1.85 115.26 115.92 1ti6 n ASN 440 Ca -0.14 -2.88 -0.09 0.00 -0.60 0.00 0.00 54.58 50.87 1ti6 n ASN 440 Cb 0.65 -1.52 -0.08 0.00 -0.53 0.00 0.00 39.78 38.31 1ti6 n ASN 440 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1ti6 s THR 441 N 1.28 0.14 0.34 -0.44 -1.32 -1.26 -4.85 115.64 109.52 1ti6 s THR 441 Ca 0.54 -1.33 0.09 0.00 -1.21 0.00 0.00 61.69 59.78 1ti6 s THR 441 Cb 0.15 -1.50 0.32 0.00 -1.51 0.00 0.00 72.50 69.97 1ti6 s THR 441 CO -0.06 -0.61 1.83 0.28 -2.21 0.00 0.00 174.62 173.84 1ti6 h SER 442 N 2.76 0.69 0.36 8.08 0.02 -1.98 0.42 113.55 123.90 1ti6 h SER 442 Ca -0.34 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1ti6 h SER 442 Cb 1.20 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1ti6 h SER 442 CO 0.56 0.30 -0.06 0.00 -1.14 0.00 0.00 176.83 176.49 1ti6 n ALA 443 N -2.40 2.67 -1.87 3.77 0.00 -1.26 -4.77 120.51 116.64 1ti6 n ALA 443 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ti6 n ALA 443 Cb 0.54 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ti6 n ALA 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti6 n GLY 444 N 1.24 1.04 2.87 0.00 0.00 0.14 -5.03 105.19 105.45 1ti6 n GLY 444 Ca 0.16 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 1ti6 n GLY 444 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ti6 s GLN 445 N 3.82 0.28 0.15 1.61 0.74 -0.77 -4.85 119.66 120.65 1ti6 s GLN 445 Ca 0.00 -0.02 -0.14 0.00 0.05 0.00 0.00 55.36 55.26 1ti6 s GLN 445 Cb 0.00 -0.37 0.02 0.00 1.10 0.00 0.00 33.01 33.76 1ti6 s GLN 445 CO 0.00 -0.04 0.38 -3.38 -0.55 0.00 0.00 175.29 171.70 1ti6 s HIS 446 N 0.48 0.03 0.09 1.67 -3.43 -1.26 -4.06 115.29 108.81 1ti6 s HIS 446 Ca -0.05 -0.39 0.03 0.00 -0.80 0.00 0.00 55.06 53.86 1ti6 s HIS 446 Cb -0.08 0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 31.21 1ti6 s HIS 446 CO -0.01 -0.75 -0.10 0.96 -2.00 0.00 0.00 174.74 172.85 1ti6 s ILE 447 N -3.88 0.89 0.17 -5.38 -4.36 -0.89 -4.88 121.20 102.87 1ti6 s ILE 447 Ca 0.09 -1.62 -0.30 0.00 -0.26 0.00 0.00 60.65 58.55 1ti6 s ILE 447 Cb 0.02 -1.33 -0.08 0.00 1.25 0.00 0.00 42.46 42.32 1ti6 s ILE 447 CO -0.06 -0.57 1.19 -2.84 0.24 0.00 0.00 174.94 172.90 1ti6 s PRO 448 N -2.78 4.49 0.26 0.37 0.02 -1.26 -1.85 135.00 134.24 1ti6 s PRO 448 Ca 0.05 1.85 -0.02 0.00 0.02 0.00 0.00 61.00 62.90 1ti6 s PRO 448 Cb -0.03 -3.26 0.44 0.00 0.02 0.00 0.00 34.50 31.67 1ti6 s PRO 448 CO -0.00 -0.10 1.85 -0.09 -0.33 0.00 0.00 177.00 178.33 1ti6 h ARG 449 N 5.47 1.01 0.00 5.54 2.43 -1.56 -0.78 114.38 126.48 1ti6 h ARG 449 Ca -0.44 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1ti6 h ARG 449 Cb 1.21 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1ti6 h ARG 449 CO 0.75 0.67 0.00 -0.07 -1.51 0.00 0.00 179.97 179.81 1ti6 h LEU 450 N 1.04 0.00 -2.92 3.80 3.38 -1.91 -3.08 115.31 115.62 1ti6 h LEU 450 Ca 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.41 1ti6 h LEU 450 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ti6 h LEU 450 CO -0.21 0.00 -0.11 0.29 0.09 0.00 0.00 178.44 178.50 1ti6 n LYS 451 N -2.40 1.19 -0.22 1.13 4.76 -0.34 -4.77 118.16 117.52 1ti6 n LYS 451 Ca 0.01 -2.52 -0.00 0.00 -2.87 0.00 0.00 58.31 52.92 1ti6 n LYS 451 Cb 0.17 -1.41 0.11 0.00 -1.84 0.00 0.00 35.03 32.07 1ti6 n LYS 451 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1ti6 h ILE 452 N 0.79 0.83 -0.59 -0.18 2.04 -1.37 -1.92 117.51 117.12 1ti6 h ILE 452 Ca -0.00 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.74 1ti6 h ILE 452 Cb 1.04 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1ti6 h ILE 452 CO 0.00 0.09 0.30 -0.65 0.00 0.00 0.00 178.15 177.89 1ti6 h PRO 453 N 0.50 0.55 -0.61 2.37 0.11 -1.86 -0.92 132.00 132.14 1ti6 h PRO 453 Ca 0.31 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.32 1ti6 h PRO 453 Cb 0.34 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 1ti6 h PRO 453 CO -0.27 0.36 0.10 0.93 -0.21 0.00 0.00 178.00 178.91 1ti6 h GLU 454 N 0.56 0.98 -0.53 1.05 3.07 -1.81 0.17 114.58 118.07 1ti6 h GLU 454 Ca 0.27 -0.24 -0.08 0.00 -0.50 0.00 0.00 59.36 58.81 1ti6 h GLU 454 Cb 0.19 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 1ti6 h GLU 454 CO -0.19 0.90 0.02 0.00 -1.40 0.00 0.00 179.01 178.35 1ti6 h ILE 456 N 0.79 1.21 0.10 0.00 2.04 -0.94 -0.51 117.51 120.20 1ti6 h ILE 456 Ca 0.15 -1.20 -0.26 0.00 1.00 0.00 0.00 64.86 64.55 1ti6 h ILE 456 Cb 0.50 1.97 0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1ti6 h ILE 456 CO 0.02 0.29 -1.17 0.24 0.00 0.00 0.00 178.15 177.53 1ti6 h MET 457 N -0.66 0.35 0.00 2.37 2.86 -1.03 -3.34 114.93 115.48 1ti6 h MET 457 Ca -0.01 -0.51 -0.17 0.00 -2.06 0.00 0.00 59.70 56.95 1ti6 h MET 457 Cb 0.55 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1ti6 h MET 457 CO 0.02 1.21 -1.29 0.78 1.06 0.00 0.00 176.91 178.69 1ti6 h GLY 458 N 1.30 0.00 0.00 8.32 0.00 -0.38 -3.48 103.07 108.83 1ti6 h GLY 458 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ti6 h GLY 458 CO 0.20 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.35 1ti6 n GLY 459 N 1.38 0.43 3.56 4.60 0.00 -0.20 -4.98 105.19 109.98 1ti6 n GLY 459 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1ti6 n GLY 459 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ti6 s LYS 460 N -0.30 0.70 0.01 1.61 2.20 -1.25 -4.38 119.74 118.33 1ti6 s LYS 460 Ca 0.00 0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.44 1ti6 s LYS 460 Cb 0.00 0.33 0.10 0.00 -1.51 0.00 0.00 37.83 36.75 1ti6 s LYS 460 CO 0.00 -0.23 0.88 0.12 -0.36 0.00 0.00 175.35 175.76 1ti6 s PHE 461 N -1.36 -0.34 -0.09 4.03 5.36 -0.60 -4.54 117.98 120.44 1ti6 s PHE 461 Ca -0.03 0.19 -0.06 0.00 -0.96 0.00 0.00 56.93 56.08 1ti6 s PHE 461 Cb -0.00 0.55 0.03 0.00 -0.34 0.00 0.00 43.02 43.25 1ti6 s PHE 461 CO 0.02 -0.57 0.22 -1.14 -1.46 0.00 0.00 175.22 172.29 1ti6 s GLN 462 N -3.16 0.22 0.34 10.12 -0.44 -1.26 -0.41 119.66 125.07 1ti6 s GLN 462 Ca 0.05 0.41 -0.08 0.00 -2.50 0.00 0.00 55.36 53.24 1ti6 s GLN 462 Cb -0.01 -0.01 0.03 0.00 -1.64 0.00 0.00 33.01 31.38 1ti6 s GLN 462 CO -0.09 -0.10 0.59 -2.67 0.50 0.00 0.00 175.29 173.52 1ti6 n TRP 463 N 3.64 -1.83 -4.66 1.67 2.14 -0.52 -5.01 117.44 112.87 1ti6 n TRP 463 Ca -0.20 -1.92 -0.34 0.00 2.07 0.00 0.00 57.50 57.12 1ti6 n TRP 463 Cb 0.55 0.68 -0.12 0.00 -0.81 0.00 0.00 31.31 31.62 1ti6 n TRP 463 CO 0.00 0.00 0.00 -1.12 2.07 0.00 0.00 177.69 178.64 1ti6 s SER 464 N -2.93 4.53 0.22 -0.67 0.01 -1.26 -0.96 113.70 112.63 1ti6 s SER 464 Ca 0.20 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1ti6 s SER 464 Cb -0.03 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.02 1ti6 s SER 464 CO 0.15 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.75 1ti6 n GLY 465 N 2.39 -3.02 3.09 3.44 0.00 0.14 -4.69 105.19 106.55 1ti6 n GLY 465 Ca -0.18 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 1ti6 n GLY 465 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ti6 s LYS 466 N -3.81 2.33 3.16 1.61 2.20 -1.26 -4.90 119.74 119.08 1ti6 s LYS 466 Ca 0.00 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 54.31 1ti6 s LYS 466 Cb 0.00 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 1ti6 s LYS 466 CO 0.00 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 1ti6 n GLY 467 N 4.48 2.99 3.51 5.54 0.00 -1.26 -3.72 105.19 116.73 1ti6 n GLY 467 Ca -0.14 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1ti6 n GLY 467 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ti6 s PHE 468 N 0.00 2.64 -1.26 1.61 0.40 -1.23 -4.41 117.98 115.73 1ti6 s PHE 468 Ca 0.00 -0.13 -0.07 0.00 -0.60 0.00 0.00 56.93 56.13 1ti6 s PHE 468 Cb 0.00 -4.30 0.18 0.00 0.51 0.00 0.00 43.02 39.41 1ti6 s PHE 468 CO 0.00 -1.61 2.03 0.00 0.70 0.00 0.00 175.22 176.34 1ti6 n ALA 469 N 8.02 5.97 1.49 5.36 0.00 -1.24 -4.72 120.51 135.38 1ti6 n ALA 469 Ca 0.01 -4.30 0.14 0.00 0.00 0.00 0.00 53.44 49.29 1ti6 n ALA 469 Cb 0.47 -2.77 0.52 0.00 0.00 0.00 0.00 19.45 17.67 1ti6 n ALA 469 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti6 n GLY 470 N 2.01 0.01 0.11 0.00 0.00 -1.26 -4.33 105.19 101.72 1ti6 n GLY 470 Ca 0.48 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1ti6 n GLY 470 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ti6 h GLY 471 N 4.87 0.27 -2.58 -0.02 0.00 -1.84 -3.08 103.07 100.69 1ti6 h GLY 471 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1ti6 h GLY 471 CO 0.00 0.04 -0.00 -0.35 0.00 0.00 0.00 176.54 176.23 1ti6 s ASP 472 N -5.32 -0.22 0.20 0.19 2.15 -1.26 -4.86 116.67 107.55 1ti6 s ASP 472 Ca -0.13 -0.55 -0.11 0.00 0.43 0.00 0.00 52.55 52.19 1ti6 s ASP 472 Cb 0.09 0.57 0.24 0.00 -0.30 0.00 0.00 42.92 43.53 1ti6 s ASP 472 CO 0.69 -1.06 1.71 0.40 -0.17 0.00 0.00 175.17 176.75 1ti6 h ILE 473 N 2.22 0.69 -0.01 4.11 2.04 -1.89 -2.82 117.51 121.86 1ti6 h ILE 473 Ca -0.28 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1ti6 h ILE 473 Cb 1.26 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1ti6 h ILE 473 CO 0.37 0.05 -0.01 -1.20 0.00 0.00 0.00 178.15 177.36 1ti6 n SER 474 N -5.11 0.55 -0.10 1.72 7.64 -1.26 -4.12 113.62 112.95 1ti6 n SER 474 Ca 0.07 -1.09 0.03 0.00 1.01 0.00 0.00 58.87 58.90 1ti6 n SER 474 Cb 0.28 -0.02 0.36 0.00 -1.01 0.00 0.00 64.21 63.82 1ti6 n SER 474 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1ti6 h HIS 475 N 0.84 0.69 0.00 1.43 3.86 -1.78 -1.15 115.15 119.04 1ti6 h HIS 475 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1ti6 h HIS 475 Cb 0.22 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1ti6 h HIS 475 CO 0.00 0.42 0.00 0.00 0.86 0.00 0.00 177.93 179.21 1ti6 n GLN 476 N -4.46 0.11 0.01 2.45 10.64 -1.26 -2.15 117.38 122.72 1ti6 n GLN 476 Ca 0.06 0.44 0.12 0.00 -1.83 0.00 0.00 57.00 55.80 1ti6 n GLN 476 Cb 0.08 -1.75 0.27 0.00 -0.86 0.00 0.00 30.24 27.98 1ti6 n GLN 476 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1ti6 n LEU 477 N -1.96 0.48 -4.77 2.61 4.77 -0.43 -1.98 117.00 115.72 1ti6 n LEU 477 Ca 0.01 0.08 -0.40 0.00 -0.03 0.00 0.00 56.01 55.67 1ti6 n LEU 477 Cb 0.14 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1ti6 n LEU 477 CO 0.13 0.09 1.04 -2.28 -1.33 0.00 0.00 177.39 175.04 1ti6 s HIS 478 N -3.03 2.65 -0.11 -1.77 2.46 -0.91 -4.67 115.29 109.90 1ti6 s HIS 478 Ca 0.11 1.30 -0.12 0.00 0.47 0.00 0.00 55.06 56.81 1ti6 s HIS 478 Cb 0.17 -3.85 -0.05 0.00 -0.13 0.00 0.00 32.58 28.72 1ti6 s HIS 478 CO 0.69 -2.60 0.28 -0.65 -2.47 0.00 0.00 174.74 169.98 1ti6 s GLN 479 N -2.25 3.96 0.17 2.88 -1.52 -1.26 0.27 119.66 121.92 1ti6 s GLN 479 Ca 0.57 0.11 0.06 0.00 -1.95 0.00 0.00 55.36 54.15 1ti6 s GLN 479 Cb -0.42 -3.31 -0.05 0.00 -0.22 0.00 0.00 33.01 29.01 1ti6 s GLN 479 CO 0.55 0.49 -0.12 0.71 -0.25 0.00 0.00 175.29 176.67 1ti6 s TYR 480 N -0.31 1.48 0.04 0.91 1.51 -0.14 -4.96 117.35 115.89 1ti6 s TYR 480 Ca 0.18 -0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1ti6 s TYR 480 Cb -0.14 -0.72 -0.03 0.00 -0.11 0.00 0.00 41.96 40.97 1ti6 s TYR 480 CO 0.06 0.22 -0.01 -1.83 -1.11 0.00 0.00 175.55 172.88 1ti6 s GLU 481 N -3.70 0.50 -0.05 -0.62 -1.05 -1.26 -1.44 118.70 111.08 1ti6 s GLU 481 Ca 0.19 -0.93 0.01 0.00 -0.15 0.00 0.00 54.97 54.10 1ti6 s GLU 481 Cb 0.01 0.18 0.02 0.00 -0.44 0.00 0.00 34.13 33.90 1ti6 s GLU 481 CO 0.04 -0.09 -0.05 -0.47 0.95 0.00 0.00 175.26 175.63 1ti6 s TYR 482 N -2.83 0.82 0.48 4.83 5.04 0.45 -2.87 117.35 123.26 1ti6 s TYR 482 Ca -0.03 -0.24 -0.22 0.00 -2.44 0.00 0.00 57.07 54.14 1ti6 s TYR 482 Cb 0.00 -0.71 -0.07 0.00 0.35 0.00 0.00 41.96 41.52 1ti6 s TYR 482 CO -0.06 -0.21 1.11 -1.25 -1.34 0.00 0.00 175.55 173.80 1ti6 s PRO 483 N 0.93 3.74 0.50 4.97 0.04 -1.26 -1.56 135.00 142.35 1ti6 s PRO 483 Ca -0.11 1.61 -0.22 0.00 0.04 0.00 0.00 61.00 62.32 1ti6 s PRO 483 Cb -0.14 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 1ti6 s PRO 483 CO 0.00 -0.53 1.20 0.00 0.04 0.00 0.00 177.00 177.71 1ti6 s ALA 484 N -1.71 2.88 -0.35 8.56 0.00 -1.14 -4.86 121.76 125.14 1ti6 s ALA 484 Ca 0.66 1.00 -0.43 0.00 0.00 0.00 0.00 51.96 53.18 1ti6 s ALA 484 Cb -0.24 -3.42 -0.18 0.00 0.00 0.00 0.00 23.12 19.29 1ti6 s ALA 484 CO 0.28 -0.84 1.64 -2.30 0.00 0.00 0.00 175.76 174.54 1ti6 n PRO 485 N -0.78 0.60 0.00 0.00 -0.02 -1.26 -0.55 135.00 133.00 1ti6 n PRO 485 Ca 0.09 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1ti6 n PRO 485 Cb 0.48 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1ti6 n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ti6 n GLY 486 N 3.93 3.06 3.93 -1.23 0.00 -1.26 -5.02 105.19 108.60 1ti6 n GLY 486 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1ti6 n GLY 486 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ti6 s TYR 487 N -1.67 3.01 0.12 1.61 1.51 0.29 -5.09 117.35 117.13 1ti6 s TYR 487 Ca 0.00 0.42 0.01 0.00 -1.01 0.00 0.00 57.07 56.49 1ti6 s TYR 487 Cb 0.00 -2.97 -0.04 0.00 -0.11 0.00 0.00 41.96 38.84 1ti6 s TYR 487 CO 0.00 -1.13 0.27 0.45 -1.11 0.00 0.00 175.55 174.03 1ti6 s SER 488 N -4.44 6.36 0.75 2.29 0.15 -1.26 -4.68 113.70 112.87 1ti6 s SER 488 Ca 0.58 0.24 -0.11 0.00 0.70 0.00 0.00 55.95 57.36 1ti6 s SER 488 Cb -0.11 -1.94 0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1ti6 s SER 488 CO 0.44 0.08 1.08 -0.54 1.20 0.00 0.00 173.24 175.50 1ti6 s LYS 489 N -2.98 2.49 0.28 5.44 1.02 -1.26 -4.38 119.74 120.35 1ti6 s LYS 489 Ca 0.35 1.03 -0.29 0.00 0.02 0.00 0.00 55.97 57.07 1ti6 s LYS 489 Cb -0.12 -1.93 -0.10 0.00 -0.52 0.00 0.00 37.83 35.16 1ti6 s LYS 489 CO 0.28 -1.44 1.35 0.42 -0.92 0.00 0.00 175.35 175.05 1ti6 s ILE 490 N -2.98 2.76 0.00 2.17 -1.09 -1.26 -4.42 121.20 116.38 1ti6 s ILE 490 Ca 0.60 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1ti6 s ILE 490 Cb -0.16 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1ti6 s ILE 490 CO 0.56 0.14 0.00 0.29 -1.23 0.00 0.00 174.94 174.69 1ti6 n LYS 491 N 1.59 2.10 -4.17 2.79 4.76 0.32 -4.74 118.16 120.80 1ti6 n LYS 491 Ca 0.03 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.32 1ti6 n LYS 491 Cb 0.41 -0.89 -0.13 0.00 -1.84 0.00 0.00 35.03 32.58 1ti6 n LYS 491 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1ti6 s MET 492 N -1.64 0.55 -0.20 1.97 1.75 -0.94 -0.79 119.30 120.00 1ti6 s MET 492 Ca 0.00 -0.46 0.00 0.00 -1.25 0.00 0.00 55.69 53.99 1ti6 s MET 492 Cb 0.00 -0.47 0.05 0.00 2.84 0.00 0.00 34.83 37.25 1ti6 s MET 492 CO 0.00 0.11 -0.07 0.12 -0.65 0.00 0.00 175.02 174.53 1ti6 s PHE 493 N -0.63 2.22 -0.52 4.11 5.99 -0.37 0.27 117.98 129.04 1ti6 s PHE 493 Ca -0.02 -1.51 -0.15 0.00 0.00 0.00 0.00 56.93 55.25 1ti6 s PHE 493 Cb -0.05 -1.53 0.12 0.00 0.00 0.00 0.00 43.02 41.55 1ti6 s PHE 493 CO 0.00 -0.72 0.47 -0.46 -0.00 0.00 0.00 175.22 174.51 1ti6 s TRP 494 N 1.46 3.27 0.10 10.12 -0.11 0.12 -1.17 118.94 132.73 1ti6 s TRP 494 Ca -0.02 -1.32 -0.17 0.00 1.22 0.00 0.00 56.10 55.81 1ti6 s TRP 494 Cb -0.17 -3.68 -0.07 0.00 -1.50 0.00 0.00 33.47 28.05 1ti6 s TRP 494 CO -0.07 -0.99 0.55 0.15 -4.62 0.00 0.00 176.95 171.96 1ti6 s LYS 495 N 1.58 4.08 -0.34 5.86 1.02 0.18 -2.86 119.74 129.25 1ti6 s LYS 495 Ca 0.03 0.60 0.03 0.00 0.02 0.00 0.00 55.97 56.65 1ti6 s LYS 495 Cb -0.29 -3.09 0.10 0.00 -0.52 0.00 0.00 37.83 34.02 1ti6 s LYS 495 CO 0.03 0.57 0.05 -0.47 -0.92 0.00 0.00 175.35 174.61 1ti6 s TYR 496 N -1.27 3.69 0.00 3.18 5.04 -1.03 -0.50 117.35 126.46 1ti6 s TYR 496 Ca 0.33 -2.86 0.00 0.00 -2.44 0.00 0.00 57.07 52.10 1ti6 s TYR 496 Cb -0.17 -2.84 0.00 0.00 0.35 0.00 0.00 41.96 39.30 1ti6 s TYR 496 CO 0.19 -0.94 0.00 0.41 -1.34 0.00 0.00 175.55 173.86 1ti6 n GLY 497 N 4.31 -0.85 2.65 8.97 0.00 -0.86 -4.02 105.19 115.39 1ti6 n GLY 497 Ca 0.01 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 1ti6 n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 498 N -0.92 1.24 0.13 -0.02 0.00 -1.26 -4.84 105.19 99.52 1ti6 n GLY 498 Ca 0.00 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1ti6 n GLY 498 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ti6 n PRO 499 N 0.04 0.40 -0.17 1.61 -0.04 -1.26 -0.79 135.00 134.79 1ti6 n PRO 499 Ca 0.06 -0.26 0.21 0.00 -0.04 0.00 0.00 63.50 63.48 1ti6 n PRO 499 Cb 0.75 -1.49 0.60 0.00 -0.04 0.00 0.00 33.50 33.31 1ti6 n PRO 499 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ti6 h HIS 500 N 0.62 0.29 0.00 0.54 3.86 -1.96 0.12 115.15 118.63 1ti6 h HIS 500 Ca 0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1ti6 h HIS 500 Cb 0.52 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1ti6 h HIS 500 CO 0.00 0.08 -0.05 -0.07 0.86 0.00 0.00 177.93 178.76 1ti6 h LEU 501 N 0.22 0.00 -0.53 2.43 3.38 -1.88 -2.08 115.31 116.86 1ti6 h LEU 501 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1ti6 h LEU 501 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1ti6 h LEU 501 CO -0.09 0.05 -0.34 0.61 0.09 0.00 0.00 178.44 178.76 1ti6 n GLY 502 N -0.83 -0.10 0.00 0.83 0.00 -0.03 -4.55 105.19 100.51 1ti6 n GLY 502 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1ti6 n GLY 502 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ti6 n THR 503 N -0.56 0.00 -0.69 2.61 -2.24 -0.83 -1.64 114.28 110.93 1ti6 n THR 503 Ca 0.04 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1ti6 n THR 503 Cb 0.22 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1ti6 n THR 503 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1ti6 n MET 504 N -1.24 3.70 -4.41 -0.78 2.81 -0.81 -4.97 117.12 111.43 1ti6 n MET 504 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 1ti6 n MET 504 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.39 1ti6 n MET 504 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1ti6 s THR 505 N 2.16 2.69 -0.66 2.03 -4.23 -1.26 -4.72 115.64 111.65 1ti6 s THR 505 Ca 0.00 -1.49 -0.19 0.00 -1.18 0.00 0.00 61.69 58.83 1ti6 s THR 505 Cb 0.00 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.66 1ti6 s THR 505 CO 0.00 0.15 0.36 0.00 -0.54 0.00 0.00 174.62 174.59 1ti6 n ALA 506 N 0.99 -1.87 0.20 3.99 0.00 0.55 -4.72 120.51 119.65 1ti6 n ALA 506 Ca -0.16 -0.33 0.02 0.00 0.00 0.00 0.00 53.44 52.97 1ti6 n ALA 506 Cb 0.53 -1.36 0.11 0.00 0.00 0.00 0.00 19.45 18.73 1ti6 n ALA 506 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ti6 n THR 507 N -3.18 1.17 0.12 0.00 -2.24 -0.97 -3.04 114.28 106.13 1ti6 n THR 507 Ca -0.06 0.29 0.08 0.00 -2.27 0.00 0.00 64.05 62.09 1ti6 n THR 507 Cb 0.30 -1.22 0.55 0.00 -2.10 0.00 0.00 70.33 67.87 1ti6 n THR 507 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1ti6 h ASN 508 N 0.00 0.21 0.10 3.42 2.35 -1.84 -1.13 115.58 118.69 1ti6 h ASN 508 Ca 0.00 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1ti6 h ASN 508 Cb 0.05 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1ti6 h ASN 508 CO 0.00 0.15 -0.05 0.08 -1.65 0.00 0.00 177.43 175.96 1ti6 h ARG 509 N 0.25 0.00 -0.01 0.81 0.11 -1.85 -0.79 114.38 112.90 1ti6 h ARG 509 Ca 0.10 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.02 1ti6 h ARG 509 Cb 0.08 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.15 1ti6 h ARG 509 CO -0.02 0.05 -0.73 1.88 0.10 0.00 0.00 179.97 181.26 1ti6 h TYR 510 N 0.00 0.09 -0.19 4.08 -1.99 -1.46 -2.45 116.97 115.06 1ti6 h TYR 510 Ca -0.00 -0.04 -0.17 0.00 2.00 0.00 0.00 58.73 60.52 1ti6 h TYR 510 Cb 0.11 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.84 1ti6 h TYR 510 CO 0.00 0.77 -0.54 0.00 -0.00 0.00 0.00 178.16 178.39 1ti6 h ALA 511 N 1.22 0.32 -0.12 3.88 0.00 -1.17 -3.27 119.26 120.12 1ti6 h ALA 511 Ca -0.01 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1ti6 h ALA 511 Cb 1.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1ti6 h ALA 511 CO 0.10 0.53 -0.24 0.87 0.00 0.00 0.00 179.25 180.51 1ti6 h LYS 512 N 0.40 0.22 0.00 0.00 1.57 -1.22 -3.15 116.57 114.38 1ti6 h LYS 512 Ca -0.01 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1ti6 h LYS 512 Cb 1.16 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1ti6 h LYS 512 CO 0.12 0.45 -0.17 0.00 -0.57 0.00 0.00 179.45 179.27 1ti6 h MET 513 N 0.20 0.00 0.00 3.15 -0.00 -1.48 -3.10 114.93 113.69 1ti6 h MET 513 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.71 1ti6 h MET 513 Cb 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.13 1ti6 h MET 513 CO 0.04 0.17 -0.13 1.88 -0.00 0.00 0.00 176.91 178.87 1ti6 h TYR 514 N 0.00 0.00 -0.23 -0.10 -1.99 -1.68 -2.60 116.97 110.37 1ti6 h TYR 514 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ti6 h TYR 514 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.11 1ti6 h TYR 514 CO 0.00 0.13 0.00 0.25 -0.00 0.00 0.00 178.16 178.54 1ti6 n THR 515 N -3.97 0.29 -2.03 -2.88 -2.24 -1.17 -4.83 114.28 97.44 1ti6 n THR 515 Ca -0.02 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 1ti6 n THR 515 Cb 0.22 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 1ti6 n THR 515 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1ti6 s HIS 516 N -1.71 3.00 -1.27 4.78 5.04 -0.98 -3.94 115.29 120.21 1ti6 s HIS 516 Ca 0.34 1.17 0.15 0.00 -1.54 0.00 0.00 55.06 55.18 1ti6 s HIS 516 Cb 0.19 -3.78 0.70 0.00 0.04 0.00 0.00 32.58 29.72 1ti6 s HIS 516 CO 0.28 -2.40 1.43 -0.40 -2.34 0.00 0.00 174.74 171.31 1ti6 n ASP 517 N 1.67 0.00 0.15 9.88 3.85 -1.26 -2.45 116.55 128.38 1ti6 n ASP 517 Ca 0.04 0.24 0.03 0.00 -0.71 0.00 0.00 54.79 54.39 1ti6 n ASP 517 Cb 0.41 -0.37 0.13 0.00 -1.35 0.00 0.00 41.12 39.94 1ti6 n ASP 517 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1ti6 h SER 518 N 0.00 0.00 -2.66 -1.12 4.64 -1.90 -3.41 113.55 109.10 1ti6 h SER 518 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1ti6 h SER 518 Cb 0.18 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.18 1ti6 h SER 518 CO 0.00 0.48 0.94 -0.76 -0.87 0.00 0.00 176.83 176.63 1ti6 s LEU 519 N -6.66 3.44 0.43 5.97 1.43 -1.03 -4.58 118.68 117.69 1ti6 s LEU 519 Ca 0.03 -0.37 0.23 0.00 -1.03 0.00 0.00 54.13 52.98 1ti6 s LEU 519 Cb 0.09 -2.71 0.33 0.00 0.03 0.00 0.00 46.19 43.93 1ti6 s LEU 519 CO 0.73 -1.66 1.59 -0.33 0.23 0.00 0.00 176.35 176.91 1ti6 h GLU 520 N 9.81 0.00 -2.03 1.70 5.08 -1.20 -3.47 114.58 124.47 1ti6 h GLU 520 Ca -0.27 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 1ti6 h GLU 520 Cb 1.06 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.09 1ti6 h GLU 520 CO 1.23 0.00 0.11 0.12 -1.00 0.00 0.00 179.01 179.47 1ti6 s PHE 521 N -3.21 -0.79 -0.07 4.33 5.36 -1.16 -5.04 117.98 117.40 1ti6 s PHE 521 Ca 0.07 1.91 -0.01 0.00 -0.96 0.00 0.00 56.93 57.94 1ti6 s PHE 521 Cb 0.05 0.28 0.03 0.00 -0.34 0.00 0.00 43.02 43.04 1ti6 s PHE 521 CO 0.67 -0.38 -0.01 0.08 -1.46 0.00 0.00 175.22 174.12 1ti6 s VAL 522 N 0.43 0.44 -0.06 3.12 1.01 -1.26 -1.23 120.40 122.85 1ti6 s VAL 522 Ca -0.00 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1ti6 s VAL 522 Cb -0.05 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1ti6 s VAL 522 CO 0.00 0.25 -0.21 -0.69 0.00 0.00 0.00 175.10 174.45 1ti6 s VAL 523 N 1.67 2.39 -0.17 2.92 1.01 -0.32 -0.56 120.40 127.36 1ti6 s VAL 523 Ca 0.01 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1ti6 s VAL 523 Cb -0.13 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1ti6 s VAL 523 CO -0.04 0.57 -0.18 -0.55 0.00 0.00 0.00 175.10 174.90 1ti6 s SER 524 N -0.32 2.98 -0.53 3.32 0.15 -0.17 0.50 113.70 119.63 1ti6 s SER 524 Ca 0.02 -0.59 -0.07 0.00 0.70 0.00 0.00 55.95 56.01 1ti6 s SER 524 Cb -0.13 -1.38 0.14 0.00 -1.71 0.00 0.00 66.02 62.94 1ti6 s SER 524 CO 0.02 -0.01 0.38 -1.58 1.20 0.00 0.00 173.24 173.25 1ti6 s GLN 525 N 1.29 2.49 0.31 5.44 0.74 0.35 -0.14 119.66 130.15 1ti6 s GLN 525 Ca 0.03 -2.04 0.05 0.00 0.05 0.00 0.00 55.36 53.45 1ti6 s GLN 525 Cb -0.13 -3.85 -0.03 0.00 1.10 0.00 0.00 33.01 30.10 1ti6 s GLN 525 CO -0.11 -1.17 0.21 -1.12 -0.55 0.00 0.00 175.29 172.55 1ti6 s SER 526 N 1.93 1.54 -0.26 6.67 0.01 -0.75 -2.03 113.70 120.80 1ti6 s SER 526 Ca 0.10 -1.64 -0.13 0.00 1.31 0.00 0.00 55.95 55.59 1ti6 s SER 526 Cb -0.22 0.48 -0.14 0.00 0.21 0.00 0.00 66.02 66.35 1ti6 s SER 526 CO -0.03 -0.97 -0.24 -0.38 0.41 0.00 0.00 173.24 172.04 1ti6 n ILE 527 N -0.59 1.53 -4.32 1.44 5.41 -1.26 -0.26 119.36 121.31 1ti6 n ILE 527 Ca 0.03 -0.37 -0.31 0.00 1.00 0.00 0.00 62.75 63.11 1ti6 n ILE 527 Cb 0.64 -1.84 -0.10 0.00 -0.71 0.00 0.00 39.64 37.63 1ti6 n ILE 527 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1ti6 s TRP 528 N -2.49 2.87 -0.93 1.39 0.51 -1.26 -1.30 118.94 117.73 1ti6 s TRP 528 Ca -0.36 -0.07 -0.22 0.00 -2.12 0.00 0.00 56.10 53.33 1ti6 s TRP 528 Cb 0.13 -1.54 0.08 0.00 -0.81 0.00 0.00 33.47 31.33 1ti6 s TRP 528 CO 0.53 0.41 1.27 0.12 -0.51 0.00 0.00 176.95 178.77 1ti6 s PHE 529 N -1.13 2.75 0.36 -1.98 5.36 0.11 -4.79 117.98 118.66 1ti6 s PHE 529 Ca 0.20 -0.95 -0.16 0.00 -0.96 0.00 0.00 56.93 55.05 1ti6 s PHE 529 Cb -0.11 -4.50 0.06 0.00 -0.34 0.00 0.00 43.02 38.13 1ti6 s PHE 529 CO 0.12 -1.75 0.81 -1.83 -1.46 0.00 0.00 175.22 171.11 1ti6 s GLU 530 N 4.09 2.14 4.55 10.12 -1.05 -1.26 -4.95 118.70 132.34 1ti6 s GLU 530 Ca 0.38 -1.37 0.00 0.00 -0.15 0.00 0.00 54.97 53.83 1ti6 s GLU 530 Cb -0.04 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 1ti6 s GLU 530 CO -0.06 -1.00 0.00 0.41 0.95 0.00 0.00 175.26 175.56 1ti6 n GLY 531 N -0.54 2.82 0.00 -3.83 0.00 -1.19 -1.33 105.19 101.12 1ti6 n GLY 531 Ca -0.08 0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.38 1ti6 n GLY 531 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ti6 n GLU 532 N 9.02 0.01 -0.25 1.61 1.02 0.03 -4.34 120.64 127.74 1ti6 n GLU 532 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1ti6 n GLU 532 Cb 0.00 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.10 1ti6 n GLU 532 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ti6 h VAL 533 N 0.00 0.59 0.00 2.62 2.07 -1.43 -1.88 116.25 118.22 1ti6 h VAL 533 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1ti6 h VAL 533 Cb 0.51 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1ti6 h VAL 533 CO 0.00 0.07 0.00 -2.65 0.02 0.00 0.00 177.57 175.01 1ti6 n PRO 534 N -5.07 0.32 -0.00 1.57 -0.02 -1.26 -1.76 135.00 128.78 1ti6 n PRO 534 Ca 0.14 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.66 1ti6 n PRO 534 Cb 0.43 -1.06 -0.05 0.00 -0.02 0.00 0.00 33.50 32.80 1ti6 n PRO 534 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ti6 n PHE 535 N -0.19 0.00 -1.71 6.00 3.01 -0.71 -3.34 117.46 120.53 1ti6 n PHE 535 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 1ti6 n PHE 535 Cb 0.03 -0.02 0.04 0.00 -0.01 0.00 0.00 39.48 39.53 1ti6 n PHE 535 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ti6 s ALA 536 N -1.91 2.56 -0.07 4.37 0.00 -0.72 -4.47 121.76 121.52 1ti6 s ALA 536 Ca 0.03 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1ti6 s ALA 536 Cb 0.07 -3.25 -0.25 0.00 0.00 0.00 0.00 23.12 19.69 1ti6 s ALA 536 CO 0.37 -1.21 0.57 -0.44 0.00 0.00 0.00 175.76 175.05 1ti6 h ASP 537 N -0.24 0.22 -3.53 0.00 3.32 -1.17 -3.41 116.42 111.61 1ti6 h ASP 537 Ca -0.45 -0.47 -0.36 0.00 0.02 0.00 0.00 57.03 55.77 1ti6 h ASP 537 Cb 1.23 -0.07 -0.33 0.00 0.22 0.00 0.00 39.33 40.37 1ti6 h ASP 537 CO 0.55 1.41 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.10 1ti6 s ILE 538 N -2.59 0.33 -0.09 0.35 -1.09 -1.08 -0.30 121.20 116.73 1ti6 s ILE 538 Ca -0.12 -0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.31 1ti6 s ILE 538 Cb 0.07 -0.38 -0.01 0.00 -1.58 0.00 0.00 42.46 40.56 1ti6 s ILE 538 CO 0.81 0.17 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.84 1ti6 s ILE 539 N 0.83 2.31 -0.17 2.92 1.01 0.24 -1.00 121.20 127.34 1ti6 s ILE 539 Ca -0.09 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.60 1ti6 s ILE 539 Cb -0.13 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.46 1ti6 s ILE 539 CO -0.01 0.56 -0.15 -0.76 0.00 0.00 0.00 174.94 174.59 1ti6 s LEU 540 N 0.10 2.48 -0.34 2.97 1.43 0.80 -1.81 118.68 124.32 1ti6 s LEU 540 Ca -0.10 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.22 1ti6 s LEU 540 Cb -0.16 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1ti6 s LEU 540 CO 0.06 0.06 1.41 -2.84 0.23 0.00 0.00 176.35 175.27 1ti6 s PRO 541 N 0.96 3.74 0.24 1.29 0.02 -1.26 -1.81 135.00 138.18 1ti6 s PRO 541 Ca -0.02 1.18 0.05 0.00 0.02 0.00 0.00 61.00 62.23 1ti6 s PRO 541 Cb -0.15 -3.97 -0.03 0.00 0.02 0.00 0.00 34.50 30.37 1ti6 s PRO 541 CO -0.02 -1.35 0.35 0.00 -0.33 0.00 0.00 177.00 175.64 1ti6 s ALA 542 N 5.01 3.91 0.43 -1.55 0.00 0.64 -1.98 121.76 128.22 1ti6 s ALA 542 Ca 0.61 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 51.40 1ti6 s ALA 542 Cb -0.17 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1ti6 s ALA 542 CO 0.28 0.24 0.35 0.00 0.00 0.00 0.00 175.76 176.63 1ti6 s THR 544 N -2.54 2.11 -1.15 0.00 -4.23 -1.26 -4.85 115.64 103.72 1ti6 s THR 544 Ca 0.45 -0.17 0.18 0.00 -1.18 0.00 0.00 61.69 60.97 1ti6 s THR 544 Cb -0.02 -2.94 0.21 0.00 1.34 0.00 0.00 72.50 71.09 1ti6 s THR 544 CO 0.26 0.00 1.56 -0.46 -0.54 0.00 0.00 174.62 175.44 1ti6 n ASN 545 N -3.25 0.00 -0.12 3.99 6.94 -1.26 -2.10 115.26 119.46 1ti6 n ASN 545 Ca 0.11 0.33 0.14 0.00 -0.02 0.00 0.00 54.58 55.15 1ti6 n ASN 545 Cb 0.60 -0.43 0.62 0.00 -2.36 0.00 0.00 39.78 38.22 1ti6 n ASN 545 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1ti6 n PHE 546 N -1.43 0.00 -1.09 -2.53 3.01 -1.26 -3.56 117.46 110.60 1ti6 n PHE 546 Ca 0.06 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.60 1ti6 n PHE 546 Cb 0.19 -0.18 0.20 0.00 -0.01 0.00 0.00 39.48 39.68 1ti6 n PHE 546 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1ti6 n GLU 547 N -0.94 2.04 -3.80 -1.08 1.02 -0.89 -2.15 120.64 114.84 1ti6 n GLU 547 Ca 0.15 -2.77 -0.08 0.00 -0.02 0.00 0.00 57.16 54.43 1ti6 n GLU 547 Cb 0.27 -1.68 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 1ti6 n GLU 547 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1ti6 s ARG 548 N -2.90 1.66 0.05 3.49 1.70 -1.23 -4.38 118.95 117.33 1ti6 s ARG 548 Ca 0.38 -0.93 -0.15 0.00 -0.47 0.00 0.00 55.73 54.56 1ti6 s ARG 548 Cb 0.32 0.59 -0.06 0.00 -0.57 0.00 0.00 34.95 35.23 1ti6 s ARG 548 CO 0.05 -0.75 0.46 -1.58 -1.08 0.00 0.00 175.30 172.40 1ti6 s TRP 549 N -3.90 3.70 0.23 5.89 0.52 -1.26 -3.62 118.94 120.50 1ti6 s TRP 549 Ca 0.10 1.03 -0.19 0.00 0.02 0.00 0.00 56.10 57.06 1ti6 s TRP 549 Cb -0.04 -2.32 0.07 0.00 -1.15 0.00 0.00 33.47 30.03 1ti6 s TRP 549 CO 0.03 0.58 0.95 -3.47 0.02 0.00 0.00 176.95 175.06 1ti6 n ASP 550 N 1.50 -1.83 -3.83 2.95 -0.08 -0.84 -4.73 116.55 109.69 1ti6 n ASP 550 Ca -0.11 -2.05 -0.12 0.00 -1.51 0.00 0.00 54.79 51.00 1ti6 n ASP 550 Cb 0.52 2.99 -0.10 0.00 2.34 0.00 0.00 41.12 46.87 1ti6 n ASP 550 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1ti6 s ILE 551 N -2.09 0.05 0.19 5.18 2.07 -1.26 -0.22 121.20 125.13 1ti6 s ILE 551 Ca 0.21 -0.43 -0.23 0.00 -1.41 0.00 0.00 60.65 58.78 1ti6 s ILE 551 Cb -0.03 -0.43 0.06 0.00 0.13 0.00 0.00 42.46 42.19 1ti6 s ILE 551 CO 0.07 -0.24 0.93 -0.94 -1.91 0.00 0.00 174.94 172.85 1ti6 s SER 552 N -0.91 -0.14 0.04 4.50 1.04 -0.87 -1.68 113.70 115.67 1ti6 s SER 552 Ca -0.10 -0.53 0.08 0.00 0.48 0.00 0.00 55.95 55.88 1ti6 s SER 552 Cb -0.05 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1ti6 s SER 552 CO 0.02 -1.03 -0.24 -0.70 0.98 0.00 0.00 173.24 172.27 1ti6 s GLU 553 N -3.10 1.65 -0.37 4.02 2.12 -1.26 -1.01 118.70 120.74 1ti6 s GLU 553 Ca 0.14 -1.02 -0.34 0.00 0.36 0.00 0.00 54.97 54.11 1ti6 s GLU 553 Cb -0.02 -1.78 -0.11 0.00 0.26 0.00 0.00 34.13 32.48 1ti6 s GLU 553 CO 0.04 0.46 2.22 0.34 -0.54 0.00 0.00 175.26 177.79 1ti6 n PHE 554 N 1.86 1.58 -1.21 5.30 7.35 0.20 -1.83 117.46 130.71 1ti6 n PHE 554 Ca -0.17 0.24 -0.07 0.00 -0.76 0.00 0.00 57.45 56.69 1ti6 n PHE 554 Cb 0.52 -2.55 -0.03 0.00 0.35 0.00 0.00 39.48 37.78 1ti6 n PHE 554 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ti6 n ALA 555 N 10.37 -0.11 -2.59 3.13 0.00 -1.26 -4.73 120.51 125.32 1ti6 n ALA 555 Ca 0.41 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.55 1ti6 n ALA 555 Cb 0.26 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 1ti6 n ALA 555 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ti6 s ASN 556 N -2.34 6.29 -0.27 0.00 3.84 -0.76 -4.33 114.94 117.37 1ti6 s ASN 556 Ca 0.00 -0.25 -0.15 0.00 0.21 0.00 0.00 52.86 52.67 1ti6 s ASN 556 Cb 0.00 -2.54 -0.13 0.00 -0.55 0.00 0.00 41.25 38.03 1ti6 s ASN 556 CO 0.00 -1.63 -0.25 0.00 -2.79 0.00 0.00 177.10 172.42 1ti6 n SER 558 N -4.26 -1.95 0.00 0.00 2.88 -1.17 -1.85 113.62 107.27 1ti6 n SER 558 Ca -0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 1ti6 n SER 558 Cb 0.86 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 1ti6 n SER 558 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ti6 n GLY 559 N 0.00 1.37 0.00 0.46 0.00 -1.26 -1.82 105.19 103.94 1ti6 n GLY 559 Ca 0.00 0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.37 1ti6 n GLY 559 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ti6 n TYR 560 N 0.00 0.00 -3.20 1.61 0.18 -1.26 -3.47 117.16 111.03 1ti6 n TYR 560 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 1ti6 n TYR 560 Cb 0.00 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.90 1ti6 n TYR 560 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 1ti6 n ILE 561 N -0.97 0.13 -1.60 -3.48 5.41 -0.76 -4.27 119.36 113.83 1ti6 n ILE 561 Ca 0.22 -4.47 -0.50 0.00 1.00 0.00 0.00 62.75 59.00 1ti6 n ILE 561 Cb 0.10 -1.35 -0.05 0.00 -0.71 0.00 0.00 39.64 37.63 1ti6 n ILE 561 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1ti6 n PRO 562 N 0.83 1.30 -3.90 0.38 -0.02 -1.23 -2.49 135.00 129.86 1ti6 n PRO 562 Ca 0.24 0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 1ti6 n PRO 562 Cb 0.55 -2.09 0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1ti6 n PRO 562 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ti6 n ASP 563 N 2.50 -4.48 0.00 2.55 8.00 -1.26 -4.87 116.55 118.99 1ti6 n ASP 563 Ca 0.17 -0.79 0.12 0.00 0.71 0.00 0.00 54.79 55.01 1ti6 n ASP 563 Cb 0.22 -3.88 0.72 0.00 -0.02 0.00 0.00 41.12 38.16 1ti6 n ASP 563 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ti6 n ASN 564 N -2.85 0.00 0.06 -2.24 2.04 -1.04 -2.83 115.26 108.40 1ti6 n ASN 564 Ca 0.01 -1.00 0.08 0.00 -0.44 0.00 0.00 54.58 53.23 1ti6 n ASN 564 Cb 0.54 0.00 0.35 0.00 -2.53 0.00 0.00 39.78 38.13 1ti6 n ASN 564 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ti6 n TYR 565 N -0.93 0.35 1.08 -2.53 4.11 -1.26 -1.77 117.16 116.20 1ti6 n TYR 565 Ca 0.18 0.15 0.03 0.00 -0.00 0.00 0.00 57.90 58.26 1ti6 n TYR 565 Cb 0.08 -0.74 0.16 0.00 -0.00 0.00 0.00 39.34 38.84 1ti6 n TYR 565 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1ti6 n GLN 566 N -1.83 0.54 0.16 -3.48 10.64 -1.13 -1.68 117.38 120.60 1ti6 n GLN 566 Ca 0.02 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.31 1ti6 n GLN 566 Cb 0.14 -1.15 0.22 0.00 -0.86 0.00 0.00 30.24 28.58 1ti6 n GLN 566 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1ti6 h LEU 567 N 0.00 0.00-10.09 2.61 3.38 -1.52 -3.15 115.31 106.54 1ti6 h LEU 567 Ca 0.00 -0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.47 1ti6 h LEU 567 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1ti6 h LEU 567 CO 0.00 0.01 -0.45 0.00 0.09 0.00 0.00 178.44 178.09 1ti6 h ASN 569 N 1.24 0.00 -5.06 0.00 2.35 -1.87 -3.46 115.58 108.79 1ti6 h ASN 569 Ca -0.48 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.15 1ti6 h ASN 569 Cb 1.24 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 39.43 1ti6 h ASN 569 CO 0.59 0.14 -0.44 -1.00 -1.65 0.00 0.00 177.43 175.07 1ti6 s HIS 570 N -3.39 0.09 -0.43 1.19 3.76 -1.26 -4.85 115.29 110.40 1ti6 s HIS 570 Ca 0.03 -0.30 -0.21 0.00 -0.15 0.00 0.00 55.06 54.43 1ti6 s HIS 570 Cb 0.08 -0.06 0.02 0.00 1.11 0.00 0.00 32.58 33.73 1ti6 s HIS 570 CO 0.64 -0.39 0.67 1.03 -0.85 0.00 0.00 174.74 175.84 1ti6 s ARG 571 N -2.36 3.35 -0.20 1.40 0.52 -1.26 -4.95 118.95 115.44 1ti6 s ARG 571 Ca -0.07 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 54.86 1ti6 s ARG 571 Cb -0.02 -3.93 0.01 0.00 0.52 0.00 0.00 34.95 31.53 1ti6 s ARG 571 CO -0.03 -1.00 -0.13 0.08 0.02 0.00 0.00 175.30 174.24 1ti6 s VAL 572 N 2.90 2.63 -0.23 3.52 1.01 -1.26 -0.90 120.40 128.06 1ti6 s VAL 572 Ca 0.24 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 1ti6 s VAL 572 Cb -0.14 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1ti6 s VAL 572 CO 0.19 0.45 0.07 -0.63 0.00 0.00 0.00 175.10 175.18 1ti6 s ILE 573 N 1.36 4.43 0.10 2.22 1.01 -0.34 -0.63 121.20 129.35 1ti6 s ILE 573 Ca 0.04 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.62 1ti6 s ILE 573 Cb -0.14 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1ti6 s ILE 573 CO -0.08 0.36 -0.15 -0.94 0.00 0.00 0.00 174.94 174.13 1ti6 s SER 574 N 1.34 1.98 -0.07 3.58 1.04 -0.18 -0.13 113.70 121.25 1ti6 s SER 574 Ca 0.05 -0.73 -0.23 0.00 0.48 0.00 0.00 55.95 55.52 1ti6 s SER 574 Cb -0.15 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 1ti6 s SER 574 CO 0.04 -0.09 0.70 -0.22 0.98 0.00 0.00 173.24 174.64 1ti6 s LEU 575 N -2.14 4.31 -0.81 2.42 2.96 0.98 -2.06 118.68 124.32 1ti6 s LEU 575 Ca 0.05 1.17 -0.17 0.00 -0.22 0.00 0.00 54.13 54.96 1ti6 s LEU 575 Cb -0.07 -3.07 0.16 0.00 0.50 0.00 0.00 46.19 43.71 1ti6 s LEU 575 CO 0.03 -0.12 0.89 -1.10 -1.32 0.00 0.00 176.35 174.72 1ti6 s GLN 576 N 0.86 3.48 0.41 1.98 -0.21 0.70 -3.78 119.66 123.10 1ti6 s GLN 576 Ca 0.37 -1.96 -0.25 0.00 0.02 0.00 0.00 55.36 53.53 1ti6 s GLN 576 Cb -0.18 -4.58 -0.08 0.00 1.00 0.00 0.00 33.01 29.18 1ti6 s GLN 576 CO 0.18 -1.52 1.21 0.00 -2.12 0.00 0.00 175.29 173.03 1ti6 s ALA 577 N 1.63 3.16 -0.89 6.09 0.00 -0.59 -1.99 121.76 129.18 1ti6 s ALA 577 Ca 0.22 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.97 1ti6 s ALA 577 Cb -0.11 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 1ti6 s ALA 577 CO -0.06 -0.63 1.69 0.21 0.00 0.00 0.00 175.76 176.97 1ti6 s LYS 578 N -2.32 2.98 0.30 0.00 2.20 -1.24 -4.71 119.74 116.96 1ti6 s LYS 578 Ca 0.58 -0.44 0.03 0.00 -0.36 0.00 0.00 55.97 55.77 1ti6 s LYS 578 Cb -0.33 -4.98 0.48 0.00 -1.51 0.00 0.00 37.83 31.49 1ti6 s LYS 578 CO 0.41 -2.76 1.78 0.00 -0.36 0.00 0.00 175.35 174.42 1ti6 s ILE 580 N -4.70 0.07 0.49 0.00 -4.36 -1.15 -4.81 121.20 106.75 1ti6 s ILE 580 Ca -0.07 -1.36 -0.20 0.00 -0.26 0.00 0.00 60.65 58.76 1ti6 s ILE 580 Cb 0.14 -1.78 -0.08 0.00 1.25 0.00 0.00 42.46 41.99 1ti6 s ILE 580 CO 0.78 -0.33 1.07 -1.61 0.24 0.00 0.00 174.94 175.09 1ti6 s GLU 581 N -3.96 3.71 0.25 0.37 0.41 -1.26 -4.38 118.70 113.84 1ti6 s GLU 581 Ca 0.16 1.45 -0.30 0.00 -0.41 0.00 0.00 54.97 55.88 1ti6 s GLU 581 Cb 0.03 -2.11 -0.15 0.00 -1.78 0.00 0.00 34.13 30.12 1ti6 s GLU 581 CO -0.01 -0.53 1.03 -2.30 -0.49 0.00 0.00 175.26 172.96 1ti6 n PRO 582 N -0.97 1.21 -2.49 0.39 -0.02 -1.26 -4.90 135.00 126.96 1ti6 n PRO 582 Ca 0.10 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 1ti6 n PRO 582 Cb 0.52 -1.81 -0.04 0.00 -0.02 0.00 0.00 33.50 32.14 1ti6 n PRO 582 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ti6 s VAL 583 N -0.77 3.69 0.00 -1.45 1.01 -1.26 -4.78 120.40 116.83 1ti6 s VAL 583 Ca 0.64 1.54 0.00 0.00 0.00 0.00 0.00 61.98 64.16 1ti6 s VAL 583 Cb -0.76 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1ti6 s VAL 583 CO 0.57 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.59 1ti6 n GLY 584 N 1.73 2.94 1.52 4.51 0.00 -1.26 -2.42 105.19 112.21 1ti6 n GLY 584 Ca 0.01 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.71 1ti6 n GLY 584 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ti6 n GLU 585 N 13.86 3.56 -1.69 1.61 2.13 -0.05 -5.00 120.64 135.05 1ti6 n GLU 585 Ca 0.00 -3.04 -0.30 0.00 0.66 0.00 0.00 57.16 54.48 1ti6 n GLU 585 Cb 0.00 -2.07 0.08 0.00 0.27 0.00 0.00 31.44 29.73 1ti6 n GLU 585 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1ti6 s SER 586 N -1.43 4.66 0.12 4.31 1.04 -1.02 -4.82 113.70 116.56 1ti6 s SER 586 Ca 0.50 1.15 -0.19 0.00 0.48 0.00 0.00 55.95 57.88 1ti6 s SER 586 Cb 0.40 -1.85 0.05 0.00 0.10 0.00 0.00 66.02 64.72 1ti6 s SER 586 CO 0.11 -1.84 0.47 0.00 0.98 0.00 0.00 173.24 172.96 1ti6 s MET 587 N -5.29 1.11 0.57 4.02 0.23 -0.84 -4.73 119.30 114.39 1ti6 s MET 587 Ca 0.60 -0.57 -0.20 0.00 -1.03 0.00 0.00 55.69 54.49 1ti6 s MET 587 Cb -0.13 0.50 -0.05 0.00 -1.53 0.00 0.00 34.83 33.62 1ti6 s MET 587 CO 0.53 -0.45 1.08 -1.13 -2.03 0.00 0.00 175.02 173.02 1ti6 n SER 588 N -0.16 1.34 -0.05 -1.18 3.41 -1.26 -2.66 113.62 113.06 1ti6 n SER 588 Ca -0.17 0.88 0.05 0.00 -0.26 0.00 0.00 58.87 59.36 1ti6 n SER 588 Cb 0.63 -1.44 0.41 0.00 -0.26 0.00 0.00 64.21 63.55 1ti6 n SER 588 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ti6 h ASP 589 N 0.84 0.52 -0.47 4.04 3.32 -1.94 -0.63 116.42 122.10 1ti6 h ASP 589 Ca -0.49 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 1ti6 h ASP 589 Cb 1.35 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1ti6 h ASP 589 CO 0.53 0.37 0.24 0.22 -1.72 0.00 0.00 179.24 178.88 1ti6 h TYR 590 N 0.61 0.66 0.00 4.55 5.03 -1.93 -0.78 116.97 125.11 1ti6 h TYR 590 Ca 0.19 -0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.38 1ti6 h TYR 590 Cb 0.02 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.08 1ti6 h TYR 590 CO -0.00 0.52 -0.43 0.93 -1.32 0.00 0.00 178.16 177.86 1ti6 h GLU 591 N 0.62 0.00 -0.03 1.82 4.39 -1.65 0.04 114.58 119.76 1ti6 h GLU 591 Ca 0.16 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 1ti6 h GLU 591 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1ti6 h GLU 591 CO -0.02 0.43 0.00 0.82 -1.16 0.00 0.00 179.01 179.08 1ti6 h ILE 592 N 0.00 1.24 -0.06 3.13 2.04 -0.64 -1.37 117.51 121.85 1ti6 h ILE 592 Ca -0.00 -0.71 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 1ti6 h ILE 592 Cb 0.79 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1ti6 h ILE 592 CO 0.06 0.19 -0.23 1.88 0.00 0.00 0.00 178.15 180.04 1ti6 h TYR 593 N -0.23 0.11 -0.33 1.37 0.99 -0.93 -1.23 116.97 116.71 1ti6 h TYR 593 Ca 0.01 -0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.60 1ti6 h TYR 593 Cb 0.30 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 37.99 1ti6 h TYR 593 CO 0.03 0.33 -0.30 -0.09 -0.00 0.00 0.00 178.16 178.13 1ti6 h ARG 594 N 0.09 0.70 -0.47 4.88 2.43 -0.80 0.45 114.38 121.67 1ti6 h ARG 594 Ca 0.02 -0.31 -0.08 0.00 -0.81 0.00 0.00 59.98 58.79 1ti6 h ARG 594 Cb 0.47 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1ti6 h ARG 594 CO 0.03 0.92 -0.01 1.25 -1.51 0.00 0.00 179.97 180.65 1ti6 h LEU 595 N 0.60 0.82 -0.34 3.80 5.85 -0.58 -1.68 115.31 123.79 1ti6 h LEU 595 Ca 0.07 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 1ti6 h LEU 595 Cb 0.81 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1ti6 h LEU 595 CO 0.07 0.94 -0.04 -0.26 -0.34 0.00 0.00 178.44 178.81 1ti6 h PHE 596 N 0.69 0.68 -0.89 1.25 -1.00 -0.92 -2.67 116.94 114.09 1ti6 h PHE 596 Ca 0.13 -0.13 0.09 0.00 2.81 0.00 0.00 57.97 60.87 1ti6 h PHE 596 Cb 0.52 -0.17 -0.07 0.00 3.61 0.00 0.00 35.95 39.84 1ti6 h PHE 596 CO 0.04 0.76 0.54 0.00 -1.61 0.00 0.00 178.31 178.04 1ti6 h ALA 597 N 0.83 1.27 -0.45 2.45 0.00 0.07 0.19 119.26 123.62 1ti6 h ALA 597 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ti6 h ALA 597 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ti6 h ALA 597 CO 0.02 0.20 0.25 -0.22 0.00 0.00 0.00 179.25 179.51 1ti6 h LYS 598 N 0.92 0.62 0.00 0.00 3.64 -1.16 0.14 116.57 120.74 1ti6 h LYS 598 Ca 0.42 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1ti6 h LYS 598 Cb 0.33 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1ti6 h LYS 598 CO -0.23 0.49 0.00 0.87 -2.27 0.00 0.00 179.45 178.31 1ti6 h LYS 599 N 0.59 0.00 -0.25 1.90 1.57 -0.89 -2.54 116.57 116.94 1ti6 h LYS 599 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ti6 h LYS 599 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1ti6 h LYS 599 CO -0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.13 1ti6 n LEU 600 N -2.84 2.92 -2.48 2.94 4.77 0.54 -4.96 117.00 117.90 1ti6 n LEU 600 Ca 0.02 -1.18 -0.18 0.00 -0.03 0.00 0.00 56.01 54.64 1ti6 n LEU 600 Cb 0.37 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1ti6 n LEU 600 CO 0.28 0.59 0.03 -3.20 -1.33 0.00 0.00 177.39 173.76 1ti6 n ASN 601 N 1.17 -5.18 -0.82 -1.43 5.15 -0.51 -4.91 115.26 108.74 1ti6 n ASN 601 Ca 0.18 -0.26 0.03 0.00 -0.60 0.00 0.00 54.58 53.93 1ti6 n ASN 601 Cb 0.54 -3.99 0.05 0.00 -0.53 0.00 0.00 39.78 35.85 1ti6 n ASN 601 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1ti6 n ILE 602 N -4.28 0.46 -0.14 -1.44 -5.35 0.38 -4.91 119.36 104.10 1ti6 n ILE 602 Ca -0.07 -0.98 -0.04 0.00 -0.27 0.00 0.00 62.75 61.38 1ti6 n ILE 602 Cb 0.59 0.51 0.04 0.00 -1.74 0.00 0.00 39.64 39.04 1ti6 n ILE 602 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1ti6 h GLU 603 N 0.47 0.28 0.07 6.28 4.81 -1.74 -2.08 114.58 122.67 1ti6 h GLU 603 Ca -0.08 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1ti6 h GLU 603 Cb 1.49 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 1ti6 h GLU 603 CO 0.04 0.19 -0.08 1.49 -0.73 0.00 0.00 179.01 179.91 1ti6 h GLU 604 N 0.29 -0.17 -0.95 1.92 4.57 -1.90 -0.74 114.58 117.59 1ti6 h GLU 604 Ca 0.21 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 1ti6 h GLU 604 Cb 0.23 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 1ti6 h GLU 604 CO -0.23 -0.11 0.62 0.52 -1.18 0.00 0.00 179.01 178.63 1ti6 h MET 605 N -0.17 1.20 0.13 1.92 2.86 -1.91 0.14 114.93 119.10 1ti6 h MET 605 Ca 0.01 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1ti6 h MET 605 Cb 0.18 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1ti6 h MET 605 CO -0.03 0.79 -0.06 0.35 1.06 0.00 0.00 176.91 179.02 1ti6 h PHE 606 N 1.23 -0.16 0.00 -0.22 3.57 -1.22 -3.38 116.94 116.76 1ti6 h PHE 606 Ca 0.37 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.81 1ti6 h PHE 606 Cb -0.05 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1ti6 h PHE 606 CO -0.01 0.27 -0.71 0.66 -2.23 0.00 0.00 178.31 176.30 1ti6 h SER 607 N -0.91 0.00 -3.66 0.41 4.64 -1.19 -3.47 113.55 109.37 1ti6 h SER 607 Ca -0.02 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.01 1ti6 h SER 607 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1ti6 h SER 607 CO 0.03 0.21 -0.38 -0.62 -0.87 0.00 0.00 176.83 175.20 1ti6 n GLU 608 N -2.94 -2.15 -1.93 4.77 1.02 0.50 -0.70 120.64 119.22 1ti6 n GLU 608 Ca -0.00 0.71 -0.15 0.00 -0.02 0.00 0.00 57.16 57.69 1ti6 n GLU 608 Cb 0.64 -5.33 -0.03 0.00 -0.02 0.00 0.00 31.44 26.69 1ti6 n GLU 608 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti6 n GLY 609 N -0.88 0.53 3.36 0.62 0.00 -1.26 -5.01 105.19 102.56 1ti6 n GLY 609 Ca -0.17 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1ti6 n GLY 609 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 610 N -4.13 1.46 0.50 1.61 1.02 0.13 -5.12 119.74 115.21 1ti6 s LYS 610 Ca 0.00 -1.26 0.04 0.00 0.02 0.00 0.00 55.97 54.77 1ti6 s LYS 610 Cb 0.00 -1.85 0.09 0.00 -0.52 0.00 0.00 37.83 35.55 1ti6 s LYS 610 CO 0.00 0.45 0.69 -0.40 -0.92 0.00 0.00 175.35 175.17 1ti6 n ASP 611 N 1.16 1.36 -0.23 2.83 5.68 -1.26 -4.87 116.55 121.22 1ti6 n ASP 611 Ca -0.18 -2.05 -0.02 0.00 -0.50 0.00 0.00 54.79 52.04 1ti6 n ASP 611 Cb 0.53 -0.41 0.09 0.00 -1.14 0.00 0.00 41.12 40.19 1ti6 n ASP 611 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ti6 h GLU 612 N 0.00 0.72 -0.23 0.11 5.08 -1.99 -2.11 114.58 116.15 1ti6 h GLU 612 Ca -0.23 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 1ti6 h GLU 612 Cb 0.96 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1ti6 h GLU 612 CO 0.29 0.47 -0.08 1.25 -1.00 0.00 0.00 179.01 179.94 1ti6 h LEU 613 N 0.74 0.34 -0.75 1.33 5.85 -1.95 -0.90 115.31 119.97 1ti6 h LEU 613 Ca 0.29 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 1ti6 h LEU 613 Cb 0.12 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1ti6 h LEU 613 CO -0.15 0.47 -0.30 0.00 -0.34 0.00 0.00 178.44 178.12 1ti6 h ALA 614 N 1.58 0.93 -0.17 1.25 0.00 -1.77 -2.34 119.26 118.73 1ti6 h ALA 614 Ca 0.07 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1ti6 h ALA 614 Cb 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ti6 h ALA 614 CO 0.02 0.62 -0.57 -1.49 0.00 0.00 0.00 179.25 177.82 1ti6 h TRP 615 N 0.53 0.66 -0.81 0.00 4.06 -0.80 -2.82 115.95 116.79 1ti6 h TRP 615 Ca 0.07 -0.24 0.00 0.00 2.06 0.00 0.00 58.89 60.78 1ti6 h TRP 615 Cb 0.78 -0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 28.77 1ti6 h TRP 615 CO 0.03 0.97 0.52 0.00 -3.56 0.00 0.00 178.44 176.40 1ti6 h GLU 617 N 1.10 0.91 -0.64 0.00 4.81 -1.36 0.30 114.58 119.70 1ti6 h GLU 617 Ca 0.29 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1ti6 h GLU 617 Cb -0.10 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1ti6 h GLU 617 CO -0.06 0.87 0.05 0.37 -0.73 0.00 0.00 179.01 179.51 1ti6 h GLN 618 N 0.80 1.10 0.30 1.92 4.15 -1.19 -2.06 115.11 120.13 1ti6 h GLN 618 Ca 0.17 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 1ti6 h GLN 618 Cb 0.39 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1ti6 h GLN 618 CO 0.01 1.04 -0.14 -0.92 -1.93 0.00 0.00 178.83 176.89 1ti6 h TYR 619 N 1.01 -0.37 -0.48 3.99 3.20 -0.09 -2.90 116.97 121.33 1ti6 h TYR 619 Ca 0.19 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.15 1ti6 h TYR 619 Cb 0.51 0.12 -0.10 0.00 1.54 0.00 0.00 36.73 38.81 1ti6 h TYR 619 CO 0.04 -0.21 -0.22 0.35 -1.64 0.00 0.00 178.16 176.47 1ti6 h PHE 620 N -0.43 -0.56 0.00 -3.82 3.57 -0.24 0.28 116.94 115.74 1ti6 h PHE 620 Ca -0.04 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1ti6 h PHE 620 Cb 0.32 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1ti6 h PHE 620 CO -0.05 -0.30 0.00 0.09 -2.23 0.00 0.00 178.31 175.82 1ti6 n ASN 621 N -5.40 0.00 -0.87 0.41 3.02 -0.79 -1.72 115.26 109.91 1ti6 n ASN 621 Ca 0.04 0.12 0.12 0.00 -0.03 0.00 0.00 54.58 54.83 1ti6 n ASN 621 Cb 0.31 -0.29 0.22 0.00 -0.61 0.00 0.00 39.78 39.42 1ti6 n ASN 621 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ti6 n ALA 622 N -1.29 2.48 -3.40 5.41 0.00 0.08 -4.93 120.51 118.87 1ti6 n ALA 622 Ca 0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 53.44 52.81 1ti6 n ALA 622 Cb 0.09 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1ti6 n ALA 622 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ti6 n THR 623 N 1.07 0.00 1.16 0.00 -2.24 -0.70 -4.71 114.28 108.85 1ti6 n THR 623 Ca 0.16 -0.07 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 1ti6 n THR 623 Cb 0.53 -0.59 0.34 0.00 -2.10 0.00 0.00 70.33 68.51 1ti6 n THR 623 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ti6 n ASP 624 N -2.21 0.81 -0.32 3.42 10.43 -0.59 -4.34 116.55 123.75 1ti6 n ASP 624 Ca 0.00 -0.64 0.16 0.00 2.57 0.00 0.00 54.79 56.88 1ti6 n ASP 624 Cb 0.02 0.17 0.36 0.00 1.84 0.00 0.00 41.12 43.50 1ti6 n ASP 624 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 1ti6 h MET 625 N 0.74 0.42 -0.10 -1.24 2.86 -1.80 0.07 114.93 115.87 1ti6 h MET 625 Ca 0.00 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1ti6 h MET 625 Cb 0.50 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1ti6 h MET 625 CO 0.00 0.28 0.41 -1.35 1.06 0.00 0.00 176.91 177.31 1ti6 h PRO 626 N 0.43 0.00 0.00 -0.22 0.11 -1.76 0.15 132.00 130.71 1ti6 h PRO 626 Ca 0.61 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.69 1ti6 h PRO 626 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1ti6 h PRO 626 CO -0.53 0.00 -0.17 0.87 -0.21 0.00 0.00 178.00 177.96 1ti6 h LYS 627 N 0.00 0.00 0.00 1.05 1.57 -1.31 -3.27 116.57 114.61 1ti6 h LYS 627 Ca 0.05 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.62 1ti6 h LYS 627 Cb 0.87 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 1ti6 h LYS 627 CO -0.00 0.17 -1.79 0.66 -0.57 0.00 0.00 179.45 177.92 1ti6 n TYR 628 N -3.71 0.00 -3.49 -1.35 4.02 0.45 -5.08 117.16 108.00 1ti6 n TYR 628 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.74 1ti6 n TYR 628 Cb 0.28 -0.56 -0.04 0.00 -0.02 0.00 0.00 39.34 39.01 1ti6 n TYR 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ti6 s MET 629 N -2.28 1.03 0.75 -0.72 0.23 -0.78 -5.12 119.30 112.41 1ti6 s MET 629 Ca -0.08 -0.11 -0.12 0.00 -1.03 0.00 0.00 55.69 54.35 1ti6 s MET 629 Cb 0.04 0.48 0.04 0.00 -1.53 0.00 0.00 34.83 33.86 1ti6 s MET 629 CO 0.44 -0.40 1.13 0.95 -2.03 0.00 0.00 175.02 175.11 1ti6 s THR 630 N -2.42 2.89 0.20 3.16 -4.23 -1.26 -3.73 115.64 110.24 1ti6 s THR 630 Ca -0.03 0.28 -0.10 0.00 -1.18 0.00 0.00 61.69 60.67 1ti6 s THR 630 Cb -0.01 -3.28 0.13 0.00 1.34 0.00 0.00 72.50 70.68 1ti6 s THR 630 CO -0.03 -0.37 1.79 -0.25 -0.54 0.00 0.00 174.62 175.22 1ti6 h TRP 631 N -0.82 0.57 -0.51 3.99 2.91 -1.96 -1.39 115.95 118.73 1ti6 h TRP 631 Ca -0.45 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.58 1ti6 h TRP 631 Cb 1.28 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.75 1ti6 h TRP 631 CO 0.42 0.24 0.29 -0.44 -1.03 0.00 0.00 178.44 177.93 1ti6 h ASP 632 N 0.57 0.63 -0.43 2.65 3.45 -1.98 0.17 116.42 121.48 1ti6 h ASP 632 Ca 0.29 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.66 1ti6 h ASP 632 Cb 0.23 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 1ti6 h ASP 632 CO -0.21 0.52 0.23 -0.33 -1.57 0.00 0.00 179.24 177.88 1ti6 h GLU 633 N 0.68 0.60 -0.31 3.56 5.08 -1.85 -0.83 114.58 121.51 1ti6 h GLU 633 Ca 0.18 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1ti6 h GLU 633 Cb 0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1ti6 h GLU 633 CO -0.03 0.50 0.13 0.35 -1.00 0.00 0.00 179.01 178.95 1ti6 h PHE 634 N 0.55 0.47 -0.89 4.33 3.57 -1.00 -0.18 116.94 123.80 1ti6 h PHE 634 Ca 0.15 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1ti6 h PHE 634 Cb 0.08 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1ti6 h PHE 634 CO -0.02 0.45 0.58 0.35 -2.23 0.00 0.00 178.31 177.44 1ti6 h PHE 635 N 0.36 1.05 -0.13 0.41 3.57 -0.46 0.28 116.94 122.01 1ti6 h PHE 635 Ca 0.10 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1ti6 h PHE 635 Cb 0.17 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 1ti6 h PHE 635 CO -0.01 0.58 -0.19 -0.22 -2.23 0.00 0.00 178.31 176.24 1ti6 h LYS 636 N 1.06 0.36 -0.34 1.11 3.64 -0.76 -3.28 116.57 118.35 1ti6 h LYS 636 Ca 0.37 -0.21 -0.17 0.00 -1.27 0.00 0.00 60.65 59.37 1ti6 h LYS 636 Cb 0.12 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1ti6 h LYS 636 CO -0.13 0.79 -0.44 -0.22 -2.27 0.00 0.00 179.45 177.19 1ti6 h LYS 637 N -0.04 0.90 0.00 1.90 3.64 -0.70 -3.48 116.57 118.79 1ti6 h LYS 637 Ca 0.01 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1ti6 h LYS 637 Cb 0.75 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1ti6 h LYS 637 CO 0.04 1.16 0.00 0.41 -2.27 0.00 0.00 179.45 178.79 1ti6 n GLY 638 N 0.23 2.78 3.30 5.01 0.00 0.96 -4.98 105.19 112.49 1ti6 n GLY 638 Ca -0.03 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1ti6 n GLY 638 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ti6 s TYR 639 N -1.79 -0.22 -0.03 1.61 -0.85 -1.26 -0.02 117.35 114.79 1ti6 s TYR 639 Ca 0.00 0.19 -0.00 0.00 -0.52 0.00 0.00 57.07 56.74 1ti6 s TYR 639 Cb 0.00 0.17 0.03 0.00 0.38 0.00 0.00 41.96 42.54 1ti6 s TYR 639 CO 0.00 -0.52 0.01 0.12 -1.52 0.00 0.00 175.55 173.64 1ti6 s PHE 640 N -2.26 0.24 -0.33 -3.49 5.36 0.82 -4.99 117.98 113.32 1ti6 s PHE 640 Ca -0.07 0.05 -0.16 0.00 -0.96 0.00 0.00 56.93 55.79 1ti6 s PHE 640 Cb -0.01 -0.39 -0.01 0.00 -0.34 0.00 0.00 43.02 42.26 1ti6 s PHE 640 CO -0.01 -0.13 0.41 0.08 -1.46 0.00 0.00 175.22 174.11 1ti6 s VAL 641 N 1.19 5.12 0.27 3.12 1.01 -1.26 -1.20 120.40 128.65 1ti6 s VAL 641 Ca -0.08 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1ti6 s VAL 641 Cb -0.13 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 1ti6 s VAL 641 CO -0.02 -0.08 1.51 -0.69 0.00 0.00 0.00 175.10 175.82 1ti6 s VAL 642 N 2.15 2.36 0.80 2.92 1.01 -0.08 -4.38 120.40 125.17 1ti6 s VAL 642 Ca 0.15 0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 1ti6 s VAL 642 Cb -0.16 -3.19 0.08 0.00 0.00 0.00 0.00 36.38 33.10 1ti6 s VAL 642 CO 0.12 0.05 1.14 -2.84 0.00 0.00 0.00 175.10 173.56 1ti6 s PRO 643 N -0.50 1.89 0.44 2.72 0.02 -1.26 -4.68 135.00 133.63 1ti6 s PRO 643 Ca 0.61 1.44 -0.20 0.00 0.02 0.00 0.00 61.00 62.87 1ti6 s PRO 643 Cb -0.45 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.13 1ti6 s PRO 643 CO 0.46 -1.96 0.94 0.34 -0.33 0.00 0.00 177.00 176.46 1ti6 s ASP 644 N -2.77 6.88 -0.63 2.53 3.68 -1.26 -4.62 116.67 120.48 1ti6 s ASP 644 Ca 0.66 1.65 0.06 0.00 2.13 0.00 0.00 52.55 57.05 1ti6 s ASP 644 Cb -0.22 -2.53 0.26 0.00 -1.45 0.00 0.00 42.92 38.98 1ti6 s ASP 644 CO 0.53 -0.39 0.75 -3.20 0.13 0.00 0.00 175.17 172.99 1ti6 n ASN 645 N -0.77 3.68 -0.33 -0.34 5.15 -1.26 -4.97 115.26 116.42 1ti6 n ASN 645 Ca 0.07 -3.44 0.20 0.00 -0.60 0.00 0.00 54.58 50.81 1ti6 n ASN 645 Cb 0.54 -0.66 0.41 0.00 -0.53 0.00 0.00 39.78 39.54 1ti6 n ASN 645 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1ti6 h PRO 646 N 4.08 0.35 -0.02 1.20 0.11 -1.94 -2.79 132.00 132.98 1ti6 h PRO 646 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1ti6 h PRO 646 Cb 0.66 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1ti6 h PRO 646 CO 0.82 0.23 0.00 0.09 -0.21 0.00 0.00 178.00 178.93 1ti6 n ASN 647 N -5.05 1.72 -4.75 -2.05 3.02 -1.26 -4.95 115.26 101.93 1ti6 n ASN 647 Ca 0.28 -1.57 -0.36 0.00 -0.03 0.00 0.00 54.58 52.90 1ti6 n ASN 647 Cb 0.86 -0.00 0.05 0.00 -0.61 0.00 0.00 39.78 40.07 1ti6 n ASN 647 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ti6 s ARG 648 N -1.99 2.77 0.26 3.52 1.70 -1.06 -4.92 118.95 119.23 1ti6 s ARG 648 Ca 0.37 1.85 -0.30 0.00 -0.47 0.00 0.00 55.73 57.18 1ti6 s ARG 648 Cb 0.21 -1.90 -0.10 0.00 -0.57 0.00 0.00 34.95 32.58 1ti6 s ARG 648 CO 0.33 -1.37 1.46 0.21 -1.08 0.00 0.00 175.30 174.85 1ti6 s LYS 649 N -3.45 4.24 -0.19 3.89 2.20 -1.26 -4.97 119.74 120.20 1ti6 s LYS 649 Ca 0.78 2.35 -0.20 0.00 -0.36 0.00 0.00 55.97 58.54 1ti6 s LYS 649 Cb -0.31 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1ti6 s LYS 649 CO 0.36 -0.45 0.60 0.15 -0.36 0.00 0.00 175.35 175.66 1ti6 s LYS 650 N -0.49 4.22 -0.44 4.03 -0.14 -1.26 -5.02 119.74 120.64 1ti6 s LYS 650 Ca 0.59 0.58 0.03 0.00 -1.36 0.00 0.00 55.97 55.82 1ti6 s LYS 650 Cb -0.43 -3.57 0.12 0.00 -1.68 0.00 0.00 37.83 32.27 1ti6 s LYS 650 CO 0.45 -0.20 0.18 0.95 -0.76 0.00 0.00 175.35 175.96 1ti6 s THR 651 N 1.79 2.24 0.31 2.17 -4.23 -1.26 -5.10 115.64 111.55 1ti6 s THR 651 Ca 0.28 -2.79 -0.29 0.00 -1.18 0.00 0.00 61.69 57.70 1ti6 s THR 651 Cb -0.16 -2.59 -0.10 0.00 1.34 0.00 0.00 72.50 70.99 1ti6 s THR 651 CO 0.10 -0.74 1.35 -0.69 -0.54 0.00 0.00 174.62 174.11 1ti6 s VAL 652 N 0.29 2.69 -0.11 2.29 1.01 -1.26 -4.38 120.40 120.93 1ti6 s VAL 652 Ca 0.15 0.65 -0.39 0.00 0.00 0.00 0.00 61.98 62.39 1ti6 s VAL 652 Cb -0.23 -3.42 -0.17 0.00 0.00 0.00 0.00 36.38 32.56 1ti6 s VAL 652 CO -0.04 0.14 1.46 0.00 0.00 0.00 0.00 175.10 176.65 1ti6 n ALA 653 N 1.28 -1.18 -0.97 5.51 0.00 -0.61 -1.57 120.51 122.97 1ti6 n ALA 653 Ca 0.02 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1ti6 n ALA 653 Cb 0.41 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1ti6 n ALA 653 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ti6 n LEU 654 N 3.44 0.93 0.03 0.00 4.77 -1.26 -4.49 117.00 120.41 1ti6 n LEU 654 Ca 0.23 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.16 1ti6 n LEU 654 Cb 0.13 -2.29 0.18 0.00 -2.33 0.00 0.00 43.42 39.10 1ti6 n LEU 654 CO 0.71 -0.90 0.67 -0.09 -1.33 0.00 0.00 177.39 176.45 1ti6 h ARG 655 N 0.08 0.45 -0.94 3.23 2.43 -1.41 -1.43 114.38 116.79 1ti6 h ARG 655 Ca 0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1ti6 h ARG 655 Cb 0.87 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 1ti6 h ARG 655 CO 0.00 0.73 0.59 0.11 -1.51 0.00 0.00 179.97 179.88 1ti6 h TRP 656 N 0.38 1.21 -0.23 2.20 5.08 -1.88 -0.67 115.95 122.04 1ti6 h TRP 656 Ca 0.05 0.01 -0.07 0.00 1.08 0.00 0.00 58.89 59.95 1ti6 h TRP 656 Cb 0.77 -0.40 -0.01 0.00 -3.00 0.00 0.00 29.16 26.53 1ti6 h TRP 656 CO 0.02 0.79 -0.14 0.35 -1.28 0.00 0.00 178.44 178.18 1ti6 h PHE 657 N 1.28 0.58 0.00 0.12 3.57 -1.67 -0.11 116.94 120.71 1ti6 h PHE 657 Ca 0.34 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1ti6 h PHE 657 Cb -0.09 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 1ti6 h PHE 657 CO 0.00 0.79 -0.13 0.00 -2.23 0.00 0.00 178.31 176.75 1ti6 h ALA 658 N 0.70 1.42 -0.63 2.41 0.00 -0.89 -1.94 119.26 120.33 1ti6 h ALA 658 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ti6 h ALA 658 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ti6 h ALA 658 CO 0.04 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.84 1ti6 n GLU 659 N -3.85 2.61 -3.57 0.00 1.02 -0.29 -4.97 120.64 111.60 1ti6 n GLU 659 Ca -0.02 -2.49 -0.25 0.00 -0.02 0.00 0.00 57.16 54.38 1ti6 n GLU 659 Cb 0.22 -1.54 0.05 0.00 -0.02 0.00 0.00 31.44 30.15 1ti6 n GLU 659 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti6 n GLY 660 N 1.60 -0.53 3.66 0.62 0.00 -0.73 -5.00 105.19 104.81 1ti6 n GLY 660 Ca 0.23 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 1ti6 n GLY 660 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ti6 s ARG 661 N -6.28 2.12 0.41 1.61 1.70 -0.11 -5.00 118.95 113.41 1ti6 s ARG 661 Ca 0.55 -2.35 -0.26 0.00 -0.47 0.00 0.00 55.73 53.20 1ti6 s ARG 661 Cb -0.26 -1.02 -0.09 0.00 -0.57 0.00 0.00 34.95 33.02 1ti6 s ARG 661 CO 0.68 -0.48 1.39 -1.21 -1.08 0.00 0.00 175.30 174.59 1ti6 s GLU 662 N -3.77 3.90 0.19 3.89 8.01 -1.26 -4.46 118.70 125.20 1ti6 s GLU 662 Ca 0.11 2.34 -0.33 0.00 0.01 0.00 0.00 54.97 57.11 1ti6 s GLU 662 Cb 0.01 -2.77 -0.14 0.00 -4.31 0.00 0.00 34.13 26.92 1ti6 s GLU 662 CO 0.08 -0.62 1.54 1.17 0.01 0.00 0.00 175.26 177.44 1ti6 n LYS 663 N 0.10 2.17 -0.03 1.61 0.00 -0.99 -4.84 118.16 116.17 1ti6 n LYS 663 Ca 0.04 0.78 0.00 0.00 0.00 0.00 0.00 58.31 59.13 1ti6 n LYS 663 Cb 0.42 -2.52 0.00 0.00 0.00 0.00 0.00 35.03 32.93 1ti6 n LYS 663 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ti6 n ASP 664 N 3.08 0.84 -4.80 3.14 5.75 -1.26 -5.08 116.55 118.22 1ti6 n ASP 664 Ca 0.15 -1.50 -0.23 0.00 -0.01 0.00 0.00 54.79 53.20 1ti6 n ASP 664 Cb 0.30 -0.03 0.08 0.00 -1.03 0.00 0.00 41.12 40.44 1ti6 n ASP 664 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ti6 s THR 665 N -0.48 2.33 -2.05 2.12 -4.23 -1.26 -4.89 115.64 107.17 1ti6 s THR 665 Ca 0.01 -0.58 0.12 0.00 -1.18 0.00 0.00 61.69 60.06 1ti6 s THR 665 Cb 0.01 -2.74 0.32 0.00 1.34 0.00 0.00 72.50 71.43 1ti6 s THR 665 CO 0.00 0.00 1.40 -2.65 -0.54 0.00 0.00 174.62 172.83 1ti6 n PRO 666 N -2.68 1.24 -1.42 3.99 -0.02 -1.26 -4.94 135.00 129.91 1ti6 n PRO 666 Ca 0.12 -0.37 -0.36 0.00 -2.02 0.00 0.00 63.50 60.86 1ti6 n PRO 666 Cb 0.60 -1.22 0.07 0.00 -0.02 0.00 0.00 33.50 32.94 1ti6 n PRO 666 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ti6 n ASP 667 N -0.32 0.30 -0.51 2.55 2.03 -1.26 -4.88 116.55 114.46 1ti6 n ASP 667 Ca 0.10 0.69 0.02 0.00 0.52 0.00 0.00 54.79 56.13 1ti6 n ASP 667 Cb 0.12 -1.37 0.08 0.00 -0.72 0.00 0.00 41.12 39.23 1ti6 n ASP 667 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1ti6 n TRP 668 N -2.27 0.33 -3.81 -0.67 7.02 -1.26 -4.88 117.44 111.90 1ti6 n TRP 668 Ca 0.13 -0.13 -0.04 0.00 -1.02 0.00 0.00 57.50 56.44 1ti6 n TRP 668 Cb 0.49 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.31 1ti6 n TRP 668 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1ti6 s GLY 669 N -0.69 -0.06 0.67 6.99 0.00 -1.26 -4.68 107.32 108.30 1ti6 s GLY 669 Ca 0.12 -0.11 -0.11 0.00 0.00 0.00 0.00 44.72 44.62 1ti6 s GLY 669 CO 0.06 0.87 1.05 2.56 0.00 0.00 0.00 173.10 177.65 1ti6 s PRO 670 N -2.79 3.13 0.46 2.90 0.04 -1.26 -5.06 135.00 132.42 1ti6 s PRO 670 Ca 0.16 0.84 -0.22 0.00 0.04 0.00 0.00 61.00 61.82 1ti6 s PRO 670 Cb -0.02 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1ti6 s PRO 670 CO 0.04 -0.93 1.13 1.03 0.04 0.00 0.00 177.00 178.31 1ti6 s ARG 671 N -5.11 3.76 0.38 4.56 0.52 -1.26 -4.92 118.95 116.88 1ti6 s ARG 671 Ca 0.57 1.68 0.17 0.00 -0.52 0.00 0.00 55.73 57.63 1ti6 s ARG 671 Cb -0.13 -2.35 1.06 0.00 0.52 0.00 0.00 34.95 34.05 1ti6 s ARG 671 CO 0.54 -0.52 1.76 -0.07 0.02 0.00 0.00 175.30 177.03 1ti6 h LEU 672 N 1.96 0.50 -0.29 2.53 3.38 -1.99 0.17 115.31 121.56 1ti6 h LEU 672 Ca -0.49 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1ti6 h LEU 672 Cb 1.24 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1ti6 h LEU 672 CO 0.60 0.09 0.00 -0.46 0.09 0.00 0.00 178.44 178.76 1ti6 n ASN 673 N -4.68 0.37 -1.82 -0.43 0.23 -1.26 -2.40 115.26 105.28 1ti6 n ASN 673 Ca 0.26 0.58 -0.02 0.00 -0.53 0.00 0.00 54.58 54.87 1ti6 n ASN 673 Cb 0.85 -0.66 0.32 0.00 -2.08 0.00 0.00 39.78 38.20 1ti6 n ASN 673 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ti6 n ASN 674 N -1.90 4.80 -3.98 0.53 5.03 0.58 -4.94 115.26 115.39 1ti6 n ASN 674 Ca 0.04 -3.18 -0.09 0.00 0.87 0.00 0.00 54.58 52.21 1ti6 n ASN 674 Cb 0.24 -0.71 -0.07 0.00 -1.02 0.00 0.00 39.78 38.22 1ti6 n ASN 674 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1ti6 s GLN 675 N -2.95 1.09 -0.26 3.52 -0.21 -1.01 -4.23 119.66 115.61 1ti6 s GLN 675 Ca 0.53 -1.19 -0.02 0.00 0.02 0.00 0.00 55.36 54.70 1ti6 s GLN 675 Cb 0.43 0.35 0.03 0.00 1.00 0.00 0.00 33.01 34.82 1ti6 s GLN 675 CO 0.13 -0.39 -0.05 0.08 -2.12 0.00 0.00 175.29 172.94 1ti6 s VAL 676 N -3.97 2.91 -1.50 1.09 1.01 -1.25 -4.55 120.40 114.15 1ti6 s VAL 676 Ca 0.17 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1ti6 s VAL 676 Cb 0.04 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1ti6 s VAL 676 CO -0.01 0.16 0.54 0.00 0.00 0.00 0.00 175.10 175.78 1ti6 n ARG 678 N -3.89 -2.62 -4.28 0.00 1.85 -1.26 -4.82 116.66 101.64 1ti6 n ARG 678 Ca -0.10 0.31 -0.17 0.00 -1.00 0.00 0.00 57.85 56.89 1ti6 n ARG 678 Cb 0.61 -4.52 -0.10 0.00 -1.05 0.00 0.00 32.46 27.39 1ti6 n ARG 678 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1ti6 s LYS 679 N -6.88 1.15 0.00 2.89 1.02 -1.01 -2.35 119.74 114.56 1ti6 s LYS 679 Ca 0.28 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.84 1ti6 s LYS 679 Cb -0.15 -0.93 0.00 0.00 -0.52 0.00 0.00 37.83 36.23 1ti6 s LYS 679 CO 0.93 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.93 1ti6 n GLY 680 N 0.02 -1.94 3.87 -3.33 0.00 -1.26 -3.74 105.19 98.80 1ti6 n GLY 680 Ca -0.11 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 1ti6 n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ti6 s LEU 681 N -4.87 2.35 0.53 0.99 1.43 0.92 -4.92 118.68 115.10 1ti6 s LEU 681 Ca 0.00 0.64 0.34 0.00 -1.03 0.00 0.00 54.13 54.08 1ti6 s LEU 681 Cb 0.00 -2.89 1.55 0.00 0.03 0.00 0.00 46.19 44.88 1ti6 s LEU 681 CO 0.00 -2.47 2.02 -0.61 0.23 0.00 0.00 176.35 175.52 1ti6 h GLN 682 N -1.45 0.00 -7.23 1.70 4.15 -1.77 -3.36 115.11 107.15 1ti6 h GLN 682 Ca -0.46 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.43 1ti6 h GLN 682 Cb 1.30 0.00 0.20 0.00 0.21 0.00 0.00 27.48 29.18 1ti6 h GLN 682 CO 0.54 0.00 0.23 0.25 -1.93 0.00 0.00 178.83 177.92 1ti6 n THR 683 N -2.92 0.63 -0.12 2.39 -2.24 -1.26 -4.85 114.28 105.91 1ti6 n THR 683 Ca -0.00 -0.07 -0.06 0.00 -2.27 0.00 0.00 64.05 61.65 1ti6 n THR 683 Cb 0.23 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 1ti6 n THR 683 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1ti6 h THR 684 N -1.59 0.36 0.00 4.28 2.02 -1.91 -0.87 112.91 115.20 1ti6 h THR 684 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1ti6 h THR 684 Cb 1.28 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1ti6 h THR 684 CO 0.42 0.00 0.00 0.71 0.37 0.00 0.00 175.52 177.02 1ti6 h THR 685 N -0.16 0.00 0.00 3.16 1.35 -1.91 -3.46 112.91 111.88 1ti6 h THR 685 Ca 0.19 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1ti6 h THR 685 Cb 0.46 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1ti6 h THR 685 CO -0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.39 1ti6 n GLY 686 N 0.86 0.83 3.80 5.82 0.00 -0.33 -4.91 105.19 111.26 1ti6 n GLY 686 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1ti6 n GLY 686 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 687 N -0.11 2.25 -0.26 1.61 1.02 -1.26 -0.06 119.74 122.93 1ti6 s LYS 687 Ca 0.00 -1.96 -0.29 0.00 0.02 0.00 0.00 55.97 53.74 1ti6 s LYS 687 Cb 0.00 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1ti6 s LYS 687 CO 0.00 -0.30 1.21 0.08 -0.92 0.00 0.00 175.35 175.42 1ti6 s VAL 688 N -2.68 4.32 -0.60 3.17 1.01 0.05 -4.75 120.40 120.91 1ti6 s VAL 688 Ca 0.34 1.54 -0.17 0.00 0.00 0.00 0.00 61.98 63.70 1ti6 s VAL 688 Cb 0.01 -4.19 0.13 0.00 0.00 0.00 0.00 36.38 32.33 1ti6 s VAL 688 CO 0.20 -0.35 0.63 -1.61 0.00 0.00 0.00 175.10 173.96 1ti6 s GLU 689 N 3.76 3.10 0.58 2.72 2.02 0.68 -0.11 118.70 131.45 1ti6 s GLU 689 Ca 0.52 -1.65 0.34 0.00 0.02 0.00 0.00 54.97 54.20 1ti6 s GLU 689 Cb -0.17 -4.32 1.75 0.00 0.10 0.00 0.00 34.13 31.49 1ti6 s GLU 689 CO 0.17 -1.42 2.15 0.74 0.02 0.00 0.00 175.26 176.92 1ti6 h PHE 690 N 8.87 0.00 -3.58 1.61 -1.00 -1.40 -3.21 116.94 118.23 1ti6 h PHE 690 Ca -0.24 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 59.90 1ti6 h PHE 690 Cb 1.09 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.25 1ti6 h PHE 690 CO 0.82 0.05 -0.74 0.42 -1.61 0.00 0.00 178.31 177.25 1ti6 s ILE 691 N -4.08 1.91 -0.01 -0.55 1.01 -1.24 -1.71 121.20 116.53 1ti6 s ILE 691 Ca -0.03 -2.02 -0.30 0.00 0.00 0.00 0.00 60.65 58.30 1ti6 s ILE 691 Cb 0.12 -2.38 -0.07 0.00 0.01 0.00 0.00 42.46 40.15 1ti6 s ILE 691 CO 0.52 -0.55 1.68 0.00 0.00 0.00 0.00 174.94 176.60 1ti6 s ALA 692 N 1.10 3.63 0.19 9.38 0.00 0.19 -4.86 121.76 131.38 1ti6 s ALA 692 Ca 0.08 1.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.99 1ti6 s ALA 692 Cb -0.19 -3.74 0.10 0.00 0.00 0.00 0.00 23.12 19.29 1ti6 s ALA 692 CO -0.11 -1.34 1.70 1.79 0.00 0.00 0.00 175.76 177.79 1ti6 h THR 693 N 5.39 1.26 -0.29 0.00 1.35 -1.89 -0.56 112.91 118.17 1ti6 h THR 693 Ca -0.41 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1ti6 h THR 693 Cb 1.19 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 1ti6 h THR 693 CO 0.94 0.38 0.19 0.77 -0.25 0.00 0.00 175.52 177.55 1ti6 h SER 694 N 1.02 0.35 0.36 5.36 4.64 -1.91 -0.92 113.55 122.44 1ti6 h SER 694 Ca 0.21 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1ti6 h SER 694 Cb 0.40 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1ti6 h SER 694 CO 0.01 0.28 -0.41 -0.07 -0.87 0.00 0.00 176.83 175.76 1ti6 h LEU 695 N 0.39 0.08 -0.50 5.97 3.38 -1.88 -1.54 115.31 121.20 1ti6 h LEU 695 Ca 0.11 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1ti6 h LEU 695 Cb -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1ti6 h LEU 695 CO -0.02 0.49 -0.08 0.50 0.09 0.00 0.00 178.44 179.42 1ti6 h LYS 696 N 0.07 0.94 -0.40 1.13 3.64 -0.61 0.08 116.57 121.42 1ti6 h LYS 696 Ca 0.00 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1ti6 h LYS 696 Cb 0.76 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1ti6 h LYS 696 CO 0.06 1.00 0.17 -0.91 -2.27 0.00 0.00 179.45 177.50 1ti6 h ASN 697 N 0.80 0.53 -0.19 4.20 -0.26 -0.87 -0.87 115.58 118.93 1ti6 h ASN 697 Ca 0.13 -0.15 0.04 0.00 -0.56 0.00 0.00 56.30 55.76 1ti6 h ASN 697 Cb 0.63 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.71 1ti6 h ASN 697 CO 0.04 0.54 -0.08 0.15 -1.06 0.00 0.00 177.43 177.02 1ti6 h PHE 698 N 0.50 -0.19 -0.19 1.19 3.57 -0.97 0.25 116.94 121.10 1ti6 h PHE 698 Ca 0.13 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 1ti6 h PHE 698 Cb 0.16 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1ti6 h PHE 698 CO -0.01 -0.13 -0.38 1.05 -2.23 0.00 0.00 178.31 176.61 1ti6 h GLU 699 N -0.06 0.43 0.00 1.11 4.11 -0.87 -2.27 114.58 117.04 1ti6 h GLU 699 Ca 0.10 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.33 1ti6 h GLU 699 Cb 0.20 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1ti6 h GLU 699 CO -0.22 0.75 -0.00 0.93 0.07 0.00 0.00 179.01 180.54 1ti6 h GLU 700 N 0.36 0.00 -0.00 1.06 5.08 -0.65 -1.10 114.58 119.33 1ti6 h GLU 700 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ti6 h GLU 700 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1ti6 h GLU 700 CO 0.07 0.00 -0.02 1.04 -1.00 0.00 0.00 179.01 179.10 1ti6 n GLN 701 N -3.09 0.97 0.00 2.33 6.02 0.03 -4.89 117.38 118.75 1ti6 n GLN 701 Ca 0.01 -0.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1ti6 n GLN 701 Cb 0.31 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1ti6 n GLN 701 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ti6 n GLY 702 N 1.12 0.60 3.45 1.08 0.00 -0.41 -5.03 105.19 106.00 1ti6 n GLY 702 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 1ti6 n GLY 702 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ti6 s TYR 703 N -2.00 3.49 -0.07 1.61 1.51 -0.98 -4.99 117.35 115.92 1ti6 s TYR 703 Ca 0.00 -2.05 -0.30 0.00 -1.01 0.00 0.00 57.07 53.71 1ti6 s TYR 703 Cb 0.00 -4.28 -0.02 0.00 -0.11 0.00 0.00 41.96 37.55 1ti6 s TYR 703 CO 0.00 -1.38 1.09 0.42 -1.11 0.00 0.00 175.55 174.57 1ti6 s ILE 704 N 1.57 4.54 -0.32 2.71 -1.09 -1.26 -4.10 121.20 123.25 1ti6 s ILE 704 Ca 0.40 1.83 -0.02 0.00 -2.23 0.00 0.00 60.65 60.63 1ti6 s ILE 704 Cb -0.04 -4.17 0.12 0.00 -1.58 0.00 0.00 42.46 36.79 1ti6 s ILE 704 CO -0.02 0.02 0.20 -0.62 -1.23 0.00 0.00 174.94 173.29 1ti6 s ASP 705 N 1.23 2.93 0.34 3.58 -1.08 -1.26 -5.00 116.67 117.41 1ti6 s ASP 705 Ca 0.52 -1.58 0.10 0.00 -0.52 0.00 0.00 52.55 51.08 1ti6 s ASP 705 Cb -0.22 -0.20 0.88 0.00 -1.46 0.00 0.00 42.92 41.93 1ti6 s ASP 705 CO 0.21 -0.37 1.78 -0.08 0.52 0.00 0.00 175.17 177.23 1ti6 h GLU 706 N 7.78 0.60 -0.55 4.34 4.81 -2.02 -1.41 114.58 128.12 1ti6 h GLU 706 Ca -0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1ti6 h GLU 706 Cb 1.01 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1ti6 h GLU 706 CO 0.34 0.40 0.00 0.72 -0.73 0.00 0.00 179.01 179.74 1ti6 n HIS 707 N -4.72 0.59 -2.91 0.92 8.25 -1.26 -4.20 115.22 111.88 1ti6 n HIS 707 Ca 0.24 -0.23 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 1ti6 n HIS 707 Cb 0.68 -0.12 0.01 0.00 1.12 0.00 0.00 29.99 31.68 1ti6 n HIS 707 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1ti6 n ARG 708 N 0.29 0.79 -2.37 -0.41 0.63 -0.53 -4.80 116.66 110.27 1ti6 n ARG 708 Ca 0.10 -2.30 -0.34 0.00 -0.92 0.00 0.00 57.85 54.39 1ti6 n ARG 708 Cb 0.42 -1.36 -0.01 0.00 0.45 0.00 0.00 32.46 31.96 1ti6 n ARG 708 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1ti6 s PRO 709 N -0.10 3.56 0.40 -0.14 0.04 -1.25 -4.77 135.00 132.74 1ti6 s PRO 709 Ca 0.32 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.88 1ti6 s PRO 709 Cb 0.23 -2.05 0.83 0.00 0.04 0.00 0.00 34.50 33.55 1ti6 s PRO 709 CO -0.18 -0.65 2.04 0.66 0.04 0.00 0.00 177.00 178.91 1ti6 h SER 710 N 1.29 0.51 -3.08 6.66 4.64 -1.89 -3.40 113.55 118.28 1ti6 h SER 710 Ca -0.49 -0.01 -0.61 0.00 -0.47 0.00 0.00 61.79 60.21 1ti6 h SER 710 Cb 1.24 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 63.13 1ti6 h SER 710 CO 0.58 0.36 -0.31 -0.32 -0.87 0.00 0.00 176.83 176.28 1ti6 s MET 711 N -5.53 3.99 -0.27 4.77 -2.45 -1.26 -0.64 119.30 117.90 1ti6 s MET 711 Ca -0.09 0.17 -0.28 0.00 -1.25 0.00 0.00 55.69 54.24 1ti6 s MET 711 Cb 0.18 -3.31 -0.03 0.00 1.25 0.00 0.00 34.83 32.91 1ti6 s MET 711 CO 0.74 0.49 1.92 -1.58 1.05 0.00 0.00 175.02 177.64 1ti6 s HIS 712 N -0.32 1.61 0.34 4.11 2.46 -0.69 -4.94 115.29 117.86 1ti6 s HIS 712 Ca 0.19 0.56 0.04 0.00 0.47 0.00 0.00 55.06 56.31 1ti6 s HIS 712 Cb -0.14 -4.06 -0.03 0.00 -0.13 0.00 0.00 32.58 28.22 1ti6 s HIS 712 CO 0.07 -3.40 0.16 0.95 -2.47 0.00 0.00 174.74 170.06 1ti6 s THR 713 N 7.11 0.41 -1.03 0.89 -4.23 -1.26 -5.04 115.64 112.49 1ti6 s THR 713 Ca 0.86 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 59.18 1ti6 s THR 713 Cb -0.27 -2.47 0.11 0.00 1.34 0.00 0.00 72.50 71.21 1ti6 s THR 713 CO 0.34 0.00 1.33 -0.47 -0.54 0.00 0.00 174.62 175.28 1ti6 s TYR 714 N -3.45 2.97 -0.34 3.99 5.04 -1.26 -4.91 117.35 119.40 1ti6 s TYR 714 Ca 0.33 -1.37 -0.23 0.00 -2.44 0.00 0.00 57.07 53.36 1ti6 s TYR 714 Cb 0.04 -4.45 0.00 0.00 0.35 0.00 0.00 41.96 37.90 1ti6 s TYR 714 CO 0.18 -1.64 0.78 0.08 -1.34 0.00 0.00 175.55 173.61 1ti6 s VAL 715 N 3.34 4.77 0.15 3.14 1.01 -1.26 -5.00 120.40 126.55 1ti6 s VAL 715 Ca 0.40 1.01 -0.32 0.00 0.00 0.00 0.00 61.98 63.07 1ti6 s VAL 715 Cb -0.02 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 1ti6 s VAL 715 CO -0.07 -0.34 1.78 -2.65 0.00 0.00 0.00 175.10 173.83 1ti6 n PRO 716 N 6.29 2.71 -1.67 2.72 -0.02 -1.26 -4.87 135.00 138.91 1ti6 n PRO 716 Ca 0.03 0.98 -0.47 0.00 -2.02 0.00 0.00 63.50 62.02 1ti6 n PRO 716 Cb 0.48 -2.85 -0.04 0.00 -0.02 0.00 0.00 33.50 31.07 1ti6 n PRO 716 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ti6 n ALA 717 N 4.92 1.06 0.53 3.55 0.00 -1.26 -4.84 120.51 124.47 1ti6 n ALA 717 Ca 0.17 0.42 0.06 0.00 0.00 0.00 0.00 53.44 54.10 1ti6 n ALA 717 Cb 0.35 -2.36 0.30 0.00 0.00 0.00 0.00 19.45 17.74 1ti6 n ALA 717 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1ti6 n TRP 718 N 4.00 0.00 -3.24 0.00 4.27 -1.26 -3.18 117.44 118.03 1ti6 n TRP 718 Ca 0.18 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.55 1ti6 n TRP 718 Cb 0.28 -0.38 -0.07 0.00 -1.36 0.00 0.00 31.31 29.78 1ti6 n TRP 718 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 1ti6 n GLU 719 N -1.38 1.33 -4.32 -2.67 4.07 -1.26 -4.59 120.64 111.83 1ti6 n GLU 719 Ca 0.05 -3.69 -0.17 0.00 -0.06 0.00 0.00 57.16 53.29 1ti6 n GLU 719 Cb 0.12 -1.58 -0.10 0.00 -0.06 0.00 0.00 31.44 29.82 1ti6 n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1ti6 s SER 720 N -1.75 2.26 0.35 4.31 1.04 -1.19 -4.42 113.70 114.30 1ti6 s SER 720 Ca 0.37 -1.04 0.07 0.00 0.48 0.00 0.00 55.95 55.83 1ti6 s SER 720 Cb 0.19 -0.08 0.66 0.00 0.10 0.00 0.00 66.02 66.89 1ti6 s SER 720 CO -0.08 -0.26 1.87 1.56 0.98 0.00 0.00 173.24 177.31 1ti6 h GLN 721 N 2.61 0.35 -0.01 4.02 4.20 -1.92 -2.43 115.11 121.95 1ti6 h GLN 721 Ca -0.38 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1ti6 h GLN 721 Cb 1.21 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1ti6 h GLN 721 CO 0.63 0.48 -0.75 0.36 -0.67 0.00 0.00 178.83 178.88 1ti6 n LYS 722 N -4.24 0.64 -0.00 1.46 2.85 -1.26 -4.55 118.16 113.05 1ti6 n LYS 722 Ca -0.00 -0.44 0.02 0.00 -1.05 0.00 0.00 58.31 56.85 1ti6 n LYS 722 Cb 0.29 -1.47 -0.04 0.00 -0.65 0.00 0.00 35.03 33.16 1ti6 n LYS 722 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ti6 n HIS 723 N -0.85 0.00 -3.15 5.58 8.25 -1.23 -5.03 115.22 118.80 1ti6 n HIS 723 Ca 0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.13 1ti6 n HIS 723 Cb 0.38 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 31.32 1ti6 n HIS 723 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ti6 s SER 724 N -2.60 7.05 0.57 0.41 0.15 -0.91 -4.95 113.70 113.41 1ti6 s SER 724 Ca -0.02 1.25 0.30 0.00 0.70 0.00 0.00 55.95 58.18 1ti6 s SER 724 Cb 0.03 -2.39 1.74 0.00 -1.71 0.00 0.00 66.02 63.69 1ti6 s SER 724 CO 0.20 0.10 2.20 -0.65 1.20 0.00 0.00 173.24 176.30 1ti6 h PRO 725 N 5.50 0.00 0.00 5.44 0.11 -1.89 -1.97 132.00 139.19 1ti6 h PRO 725 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1ti6 h PRO 725 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ti6 h PRO 725 CO 0.69 0.04 -0.26 -0.07 -0.21 0.00 0.00 178.00 178.20 1ti6 h LEU 726 N 0.00 0.00 -2.13 2.35 -0.00 -1.92 -3.23 115.31 110.38 1ti6 h LEU 726 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.95 1ti6 h LEU 726 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 1ti6 h LEU 726 CO 0.01 0.26 0.20 0.00 -0.00 0.00 0.00 178.44 178.90 1ti6 h ALA 727 N 1.74 2.02 -0.15 1.53 0.00 -1.52 0.43 119.26 123.32 1ti6 h ALA 727 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1ti6 h ALA 727 Cb 0.75 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ti6 h ALA 727 CO 0.03 -0.31 -0.24 0.28 0.00 0.00 0.00 179.25 179.00 1ti6 h VAL 728 N 0.00 1.24 0.03 0.00 2.07 -1.75 -2.94 116.25 114.90 1ti6 h VAL 728 Ca 0.11 -1.12 -0.36 0.00 0.82 0.00 0.00 66.70 66.15 1ti6 h VAL 728 Cb 0.50 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1ti6 h VAL 728 CO -0.00 0.34 -2.20 0.29 0.02 0.00 0.00 177.57 176.02 1ti6 n LYS 729 N -4.16 0.68 -3.85 1.57 5.02 -0.54 -4.72 118.16 112.16 1ti6 n LYS 729 Ca -0.01 0.16 -0.29 0.00 -2.02 0.00 0.00 58.31 56.15 1ti6 n LYS 729 Cb 0.36 -1.62 -0.13 0.00 -0.02 0.00 0.00 35.03 33.63 1ti6 n LYS 729 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1ti6 s TYR 730 N -2.54 2.87 -0.33 2.13 2.02 0.03 -4.81 117.35 116.73 1ti6 s TYR 730 Ca -0.19 -2.98 0.27 0.00 -0.37 0.00 0.00 57.07 53.80 1ti6 s TYR 730 Cb 0.07 -2.47 1.02 0.00 -0.40 0.00 0.00 41.96 40.18 1ti6 s TYR 730 CO 0.75 -0.71 1.80 -1.00 -1.57 0.00 0.00 175.55 174.82 1ti6 h PRO 731 N 6.27 0.00 -5.92 -1.71 0.13 -1.51 -3.36 132.00 125.90 1ti6 h PRO 731 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1ti6 h PRO 731 Cb 0.87 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.94 1ti6 h PRO 731 CO 0.63 0.00 -0.12 -0.51 -0.23 0.00 0.00 178.00 177.77 1ti6 s LEU 732 N -5.21 4.38 -0.24 1.56 1.43 -0.48 -4.94 118.68 115.18 1ti6 s LEU 732 Ca 0.04 0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 53.95 1ti6 s LEU 732 Cb 0.09 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 1ti6 s LEU 732 CO 0.50 0.12 0.44 -0.83 0.23 0.00 0.00 176.35 176.82 1ti6 s GLY 733 N -0.11 1.95 -0.10 -3.19 0.00 -0.37 -1.08 107.32 104.43 1ti6 s GLY 733 Ca 0.27 -0.61 -0.00 0.00 0.00 0.00 0.00 44.72 44.38 1ti6 s GLY 733 CO 0.13 1.02 -0.08 -0.29 0.00 0.00 0.00 173.10 173.89 1ti6 s MET 734 N 1.86 3.05 0.07 2.90 1.75 0.75 -0.50 119.30 129.17 1ti6 s MET 734 Ca 0.19 -0.57 0.09 0.00 -1.25 0.00 0.00 55.69 54.15 1ti6 s MET 734 Cb -0.15 -2.66 -0.03 0.00 2.84 0.00 0.00 34.83 34.83 1ti6 s MET 734 CO 0.09 0.49 -0.24 -0.48 -0.65 0.00 0.00 175.02 174.23 1ti6 s LEU 735 N -0.35 2.35 -0.40 4.11 2.34 -1.09 -2.33 118.68 123.31 1ti6 s LEU 735 Ca 0.05 -0.58 0.07 0.00 0.06 0.00 0.00 54.13 53.72 1ti6 s LEU 735 Cb -0.12 -1.35 0.23 0.00 -0.56 0.00 0.00 46.19 44.39 1ti6 s LEU 735 CO 0.02 0.24 0.49 -1.54 -1.06 0.00 0.00 176.35 174.50 1ti6 n SER 736 N 1.46 0.15 -3.29 1.48 3.41 -1.26 -2.75 113.62 112.83 1ti6 n SER 736 Ca -0.17 -2.65 -0.25 0.00 -0.26 0.00 0.00 58.87 55.54 1ti6 n SER 736 Cb 0.52 -0.62 0.22 0.00 -0.26 0.00 0.00 64.21 64.07 1ti6 n SER 736 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1ti6 n PRO 737 N 1.70 -3.52 -2.28 4.33 -0.02 -1.26 -3.52 135.00 130.43 1ti6 n PRO 737 Ca 0.23 -1.34 -0.41 0.00 -2.02 0.00 0.00 63.50 59.97 1ti6 n PRO 737 Cb 0.51 -1.45 -0.03 0.00 -0.02 0.00 0.00 33.50 32.51 1ti6 n PRO 737 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1ti6 s HIS 738 N -2.31 3.30 0.23 6.00 3.76 -1.26 -1.07 115.29 123.94 1ti6 s HIS 738 Ca 0.57 1.53 -0.32 0.00 -0.15 0.00 0.00 55.06 56.69 1ti6 s HIS 738 Cb -0.08 -3.50 -0.13 0.00 1.11 0.00 0.00 32.58 29.99 1ti6 s HIS 738 CO 0.46 -1.28 1.50 -0.35 -0.85 0.00 0.00 174.74 174.22 1ti6 n PRO 739 N 1.13 2.22 -0.11 8.40 -0.04 -1.26 -4.84 135.00 140.50 1ti6 n PRO 739 Ca 0.00 0.79 -0.10 0.00 -0.04 0.00 0.00 63.50 64.15 1ti6 n PRO 739 Cb 0.43 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 1ti6 n PRO 739 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1ti6 h ARG 740 N 4.87 0.52 -0.77 0.54 9.65 -1.93 -3.30 114.38 123.97 1ti6 h ARG 740 Ca -0.45 -0.13 -0.41 0.00 -1.10 0.00 0.00 59.98 57.88 1ti6 h ARG 740 Cb 1.26 -0.06 -0.24 0.00 -1.39 0.00 0.00 29.97 29.53 1ti6 h ARG 740 CO 0.81 0.60 0.38 1.19 2.80 0.00 0.00 179.97 185.75 1ti6 n PHE 741 N -4.63 2.39 -3.58 2.20 3.01 -1.26 -4.87 117.46 110.73 1ti6 n PHE 741 Ca -0.02 -1.85 -0.14 0.00 1.01 0.00 0.00 57.45 56.44 1ti6 n PHE 741 Cb 0.20 -0.81 -0.06 0.00 -0.01 0.00 0.00 39.48 38.80 1ti6 n PHE 741 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ti6 s SER 742 N -1.81 -0.60 -0.96 4.37 0.15 -1.24 -4.28 113.70 109.33 1ti6 s SER 742 Ca 0.53 0.89 -0.19 0.00 0.70 0.00 0.00 55.95 57.88 1ti6 s SER 742 Cb 0.46 0.80 0.13 0.00 -1.71 0.00 0.00 66.02 65.70 1ti6 s SER 742 CO 0.06 -0.40 1.17 -0.32 1.20 0.00 0.00 173.24 174.95 1ti6 s MET 743 N -0.55 3.64 6.40 5.44 1.75 -1.02 -4.48 119.30 130.48 1ti6 s MET 743 Ca -0.04 -1.80 0.00 0.00 -1.25 0.00 0.00 55.69 52.60 1ti6 s MET 743 Cb -0.02 -4.95 0.00 0.00 2.84 0.00 0.00 34.83 32.70 1ti6 s MET 743 CO 0.04 -1.79 0.00 0.72 -0.65 0.00 0.00 175.02 173.34 1ti6 n HIS 744 N 6.58 0.00 0.68 4.11 8.25 -1.26 -1.08 115.22 132.51 1ti6 n HIS 744 Ca 0.25 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.85 1ti6 n HIS 744 Cb 0.49 0.00 0.44 0.00 1.12 0.00 0.00 29.99 32.04 1ti6 n HIS 744 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ti6 n THR 745 N 0.00 0.50 -2.57 1.59 -2.24 -1.22 -4.54 114.28 105.80 1ti6 n THR 745 Ca 0.00 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1ti6 n THR 745 Cb 0.00 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.63 1ti6 n THR 745 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1ti6 s MET 746 N -3.09 3.77 0.00 -0.78 -1.94 -0.24 -3.21 119.30 113.82 1ti6 s MET 746 Ca 0.11 -1.52 0.00 0.00 -1.71 0.00 0.00 55.69 52.57 1ti6 s MET 746 Cb 0.13 -5.44 0.00 0.00 2.01 0.00 0.00 34.83 31.53 1ti6 s MET 746 CO 0.58 -2.23 0.00 0.41 -0.01 0.00 0.00 175.02 173.77 1ti6 n GLY 747 N 6.22 2.54 3.81 -0.03 0.00 -1.26 -2.44 105.19 114.04 1ti6 n GLY 747 Ca 0.40 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1ti6 n GLY 747 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ti6 s ASP 748 N 0.00 5.25 0.74 1.61 2.15 -1.20 -4.65 116.67 120.57 1ti6 s ASP 748 Ca 0.00 1.63 0.00 0.00 0.43 0.00 0.00 52.55 54.61 1ti6 s ASP 748 Cb 0.00 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 1ti6 s ASP 748 CO 0.00 -1.53 0.00 0.61 -0.17 0.00 0.00 175.17 174.08 1ti6 n GLY 749 N -1.90 1.19 2.73 2.66 0.00 -1.26 -4.76 105.19 103.84 1ti6 n GLY 749 Ca 0.08 -0.56 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 1ti6 n GLY 749 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ti6 n LYS 750 N 1.79 -1.84 -2.61 1.61 5.02 -1.26 -1.36 118.16 119.51 1ti6 n LYS 750 Ca 0.00 0.59 -0.20 0.00 -2.02 0.00 0.00 58.31 56.68 1ti6 n LYS 750 Cb 0.00 -4.84 0.00 0.00 -0.02 0.00 0.00 35.03 30.17 1ti6 n LYS 750 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ti6 n ASN 751 N -0.59 -5.66 -4.82 4.39 5.15 -1.26 -4.38 115.26 108.09 1ti6 n ASN 751 Ca -0.05 -0.08 -0.29 0.00 -0.60 0.00 0.00 54.58 53.57 1ti6 n ASN 751 Cb 0.47 -4.68 0.11 0.00 -0.53 0.00 0.00 39.78 35.15 1ti6 n ASN 751 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1ti6 s SER 752 N -2.24 4.01 0.35 1.20 1.04 -0.47 -4.94 113.70 112.65 1ti6 s SER 752 Ca 0.10 0.97 0.10 0.00 0.48 0.00 0.00 55.95 57.59 1ti6 s SER 752 Cb -0.04 -1.55 0.67 0.00 0.10 0.00 0.00 66.02 65.19 1ti6 s SER 752 CO 0.12 -2.24 1.82 1.88 0.98 0.00 0.00 173.24 175.80 1ti6 h TYR 753 N -1.28 0.15 -0.05 5.02 0.05 -1.85 -2.94 116.97 116.05 1ti6 h TYR 753 Ca -0.49 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.28 1ti6 h TYR 753 Cb 1.32 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 39.02 1ti6 h TYR 753 CO 0.33 0.44 0.17 0.52 -1.05 0.00 0.00 178.16 178.56 1ti6 h MET 754 N 0.12 0.00 0.00 4.88 2.86 -1.88 -0.40 114.93 120.50 1ti6 h MET 754 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ti6 h MET 754 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1ti6 h MET 754 CO 0.05 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.11 1ti6 n ASN 755 N -3.25 0.03 0.00 1.22 3.02 -1.11 -2.21 115.26 112.97 1ti6 n ASN 755 Ca -0.01 0.51 0.11 0.00 -0.03 0.00 0.00 54.58 55.16 1ti6 n ASN 755 Cb 0.24 -0.51 0.10 0.00 -0.61 0.00 0.00 39.78 39.00 1ti6 n ASN 755 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ti6 n TYR 756 N -1.54 0.03 -1.90 3.10 4.02 -0.16 -4.45 117.16 116.27 1ti6 n TYR 756 Ca 0.03 0.01 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 1ti6 n TYR 756 Cb 0.17 -0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.28 1ti6 n TYR 756 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ti6 s ILE 757 N -3.02 2.77 0.29 -0.72 1.01 -0.94 -4.90 121.20 115.71 1ti6 s ILE 757 Ca 0.09 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.19 1ti6 s ILE 757 Cb 0.17 -3.26 0.29 0.00 0.01 0.00 0.00 42.46 39.66 1ti6 s ILE 757 CO 0.77 0.01 1.77 0.11 0.00 0.00 0.00 174.94 177.60 1ti6 h LYS 758 N 7.68 0.69 -0.66 2.79 1.57 -1.90 -1.68 116.57 125.07 1ti6 h LYS 758 Ca -0.43 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1ti6 h LYS 758 Cb 1.20 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1ti6 h LYS 758 CO 0.93 0.46 0.00 -3.47 -0.57 0.00 0.00 179.45 176.79 1ti6 n ASP 759 N -4.81 4.86 -0.05 0.86 2.03 -1.26 -4.35 116.55 113.82 1ti6 n ASP 759 Ca 0.22 -2.74 -0.09 0.00 0.52 0.00 0.00 54.79 52.69 1ti6 n ASP 759 Cb 0.55 -0.65 -0.03 0.00 -0.72 0.00 0.00 41.12 40.27 1ti6 n ASP 759 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1ti6 n HIS 760 N 0.54 0.00 -3.99 -0.67 -0.00 -0.64 -4.98 115.22 105.49 1ti6 n HIS 760 Ca 0.23 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.32 1ti6 n HIS 760 Cb 1.02 -0.41 -0.11 0.00 -0.12 0.00 0.00 29.99 30.37 1ti6 n HIS 760 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1ti6 s ARG 761 N -2.53 0.41 -0.16 1.57 0.52 -1.20 -3.99 118.95 113.57 1ti6 s ARG 761 Ca -0.21 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.30 1ti6 s ARG 761 Cb 0.04 0.15 0.02 0.00 0.52 0.00 0.00 34.95 35.68 1ti6 s ARG 761 CO 0.29 -0.08 -0.20 0.08 0.02 0.00 0.00 175.30 175.42 1ti6 s VAL 762 N -2.03 1.97 -0.08 3.52 1.01 0.14 -4.63 120.40 120.30 1ti6 s VAL 762 Ca -0.11 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 1ti6 s VAL 762 Cb -0.06 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1ti6 s VAL 762 CO -0.03 0.53 1.19 -0.70 0.00 0.00 0.00 175.10 176.09 1ti6 s GLU 763 N 1.11 4.34 -0.10 2.72 2.12 -1.26 -0.80 118.70 126.83 1ti6 s GLU 763 Ca -0.00 1.65 -0.03 0.00 0.36 0.00 0.00 54.97 56.95 1ti6 s GLU 763 Cb -0.14 -3.59 0.04 0.00 0.26 0.00 0.00 34.13 30.70 1ti6 s GLU 763 CO -0.08 -0.48 0.05 0.08 -0.54 0.00 0.00 175.26 174.29 1ti6 s VAL 764 N 2.40 0.11 -1.37 3.70 1.01 0.94 -4.85 120.40 122.34 1ti6 s VAL 764 Ca 0.55 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.52 1ti6 s VAL 764 Cb -0.24 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1ti6 s VAL 764 CO 0.20 0.04 1.17 0.47 0.00 0.00 0.00 175.10 176.99 1ti6 n ASP 765 N 5.22 -6.22 0.00 3.32 8.00 -1.26 -2.32 116.55 123.29 1ti6 n ASP 765 Ca -0.06 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1ti6 n ASP 765 Cb 0.49 -4.94 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 1ti6 n ASP 765 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ti6 n GLY 766 N -1.98 0.88 3.19 0.44 0.00 -1.26 -5.03 105.19 101.43 1ti6 n GLY 766 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1ti6 n GLY 766 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ti6 s TYR 767 N -3.50 2.00 -0.67 1.61 5.04 -0.98 -5.09 117.35 115.77 1ti6 s TYR 767 Ca 0.00 -0.58 -0.22 0.00 -2.44 0.00 0.00 57.07 53.82 1ti6 s TYR 767 Cb 0.00 -1.33 0.07 0.00 0.35 0.00 0.00 41.96 41.05 1ti6 s TYR 767 CO 0.00 -0.18 0.97 0.15 -1.34 0.00 0.00 175.55 175.14 1ti6 s LYS 768 N -0.05 3.12 0.32 4.97 1.02 -1.26 -0.04 119.74 127.82 1ti6 s LYS 768 Ca -0.04 -0.87 -0.18 0.00 0.02 0.00 0.00 55.97 54.90 1ti6 s LYS 768 Cb -0.12 -4.25 -0.09 0.00 -0.52 0.00 0.00 37.83 32.84 1ti6 s LYS 768 CO 0.03 -1.81 0.79 0.71 -0.92 0.00 0.00 175.35 174.14 1ti6 s TYR 769 N 4.00 3.45 0.56 3.18 1.51 0.02 -4.74 117.35 125.34 1ti6 s TYR 769 Ca 0.22 1.37 -0.18 0.00 -1.01 0.00 0.00 57.07 57.47 1ti6 s TYR 769 Cb -0.17 -2.64 -0.05 0.00 -0.11 0.00 0.00 41.96 39.00 1ti6 s TYR 769 CO 0.09 0.13 1.11 -0.46 -1.11 0.00 0.00 175.55 175.31 1ti6 s TRP 770 N -1.88 2.71 -0.09 2.71 -0.11 -1.26 -0.69 118.94 120.33 1ti6 s TRP 770 Ca 0.52 1.55 -0.10 0.00 1.22 0.00 0.00 56.10 59.29 1ti6 s TRP 770 Cb -0.12 -3.23 -0.05 0.00 -1.50 0.00 0.00 33.47 28.57 1ti6 s TRP 770 CO 0.18 -1.50 0.23 0.42 -4.62 0.00 0.00 176.95 171.66 1ti6 s ILE 771 N -1.95 5.34 -0.10 5.86 1.01 -1.26 -0.42 121.20 129.69 1ti6 s ILE 771 Ca 0.70 0.43 0.02 0.00 0.00 0.00 0.00 60.65 61.81 1ti6 s ILE 771 Cb -0.22 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1ti6 s ILE 771 CO 0.30 0.58 -0.15 -0.32 0.00 0.00 0.00 174.94 175.35 1ti6 s MET 772 N -0.86 2.16 -0.08 2.79 -2.45 -0.78 -4.42 119.30 115.66 1ti6 s MET 772 Ca 0.17 -0.55 -0.18 0.00 -1.25 0.00 0.00 55.69 53.89 1ti6 s MET 772 Cb -0.13 -1.80 -0.05 0.00 1.25 0.00 0.00 34.83 34.10 1ti6 s MET 772 CO 0.07 -0.02 0.48 1.03 1.05 0.00 0.00 175.02 177.63 1ti6 s ARG 773 N 0.85 4.27 0.02 4.11 0.52 0.24 -1.10 118.95 127.86 1ti6 s ARG 773 Ca -0.10 0.48 0.03 0.00 -0.52 0.00 0.00 55.73 55.63 1ti6 s ARG 773 Cb -0.15 -3.39 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 1ti6 s ARG 773 CO 0.01 0.27 -0.10 0.08 0.02 0.00 0.00 175.30 175.58 1ti6 s VAL 774 N 0.24 0.80 0.32 3.52 1.01 -0.58 -1.52 120.40 124.20 1ti6 s VAL 774 Ca 0.26 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 1ti6 s VAL 774 Cb -0.16 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.40 1ti6 s VAL 774 CO 0.12 0.01 1.11 0.21 0.00 0.00 0.00 175.10 176.54 1ti6 s ASN 775 N -0.82 7.05 0.33 3.32 3.84 -1.26 -0.38 114.94 127.03 1ti6 s ASN 775 Ca 0.00 2.25 0.12 0.00 0.21 0.00 0.00 52.86 55.44 1ti6 s ASN 775 Cb -0.06 -2.62 0.95 0.00 -0.55 0.00 0.00 41.25 38.97 1ti6 s ASN 775 CO 0.00 -0.29 1.72 0.77 -2.79 0.00 0.00 177.10 176.51 1ti6 h SER 776 N 3.39 0.62 -0.52 -4.21 4.64 -1.79 -0.59 113.55 115.08 1ti6 h SER 776 Ca -0.47 0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 60.93 1ti6 h SER 776 Cb 1.22 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1ti6 h SER 776 CO 0.65 0.05 0.12 0.40 -0.87 0.00 0.00 176.83 177.19 1ti6 h ILE 777 N 0.51 1.24 -0.11 0.95 2.04 -1.91 0.20 117.51 120.43 1ti6 h ILE 777 Ca 0.66 -0.88 -0.17 0.00 1.00 0.00 0.00 64.86 65.47 1ti6 h ILE 777 Cb 1.36 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1ti6 h ILE 777 CO -0.48 0.32 -0.66 0.44 0.00 0.00 0.00 178.15 177.77 1ti6 h ASP 778 N 0.73 0.51 0.27 1.72 3.32 -1.64 -2.19 116.42 119.15 1ti6 h ASP 778 Ca 0.16 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1ti6 h ASP 778 Cb 0.35 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1ti6 h ASP 778 CO 0.00 1.03 -0.13 0.00 -1.72 0.00 0.00 179.24 178.43 1ti6 h ALA 779 N 0.97 -0.36 -0.97 3.45 0.00 -0.96 -2.98 119.26 118.41 1ti6 h ALA 779 Ca -0.02 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1ti6 h ALA 779 Cb 1.22 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 1ti6 h ALA 779 CO 0.12 -0.57 0.60 1.49 0.00 0.00 0.00 179.25 180.89 1ti6 h GLU 780 N -0.63 0.95 0.00 0.00 4.22 -0.63 0.80 114.58 119.28 1ti6 h GLU 780 Ca -0.04 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1ti6 h GLU 780 Cb 0.45 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ti6 h GLU 780 CO 0.06 0.63 0.00 0.00 -2.18 0.00 0.00 179.01 177.52 1ti6 h ALA 781 N 1.51 1.00 -0.23 2.92 0.00 -1.31 -2.20 119.26 120.95 1ti6 h ALA 781 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1ti6 h ALA 781 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ti6 h ALA 781 CO -0.25 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.54 1ti6 n ARG 782 N -2.81 2.81 -1.23 0.00 1.74 0.01 -4.95 116.66 112.23 1ti6 n ARG 782 Ca -0.01 -2.09 -0.08 0.00 -0.77 0.00 0.00 57.85 54.90 1ti6 n ARG 782 Cb 0.16 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1ti6 n ARG 782 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ti6 n GLY 783 N -0.01 0.91 3.78 -0.13 0.00 -0.83 -4.66 105.19 104.26 1ti6 n GLY 783 Ca 0.11 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1ti6 n GLY 783 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ti6 s ILE 784 N -2.06 4.70 0.12 -0.61 1.01 0.06 -4.98 121.20 119.44 1ti6 s ILE 784 Ca 0.00 1.40 0.03 0.00 0.00 0.00 0.00 60.65 62.09 1ti6 s ILE 784 Cb 0.00 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1ti6 s ILE 784 CO 0.00 0.48 -0.09 -0.54 0.00 0.00 0.00 174.94 174.80 1ti6 s LYS 785 N -0.70 0.94 -0.21 2.79 1.02 -1.26 -3.95 119.74 118.37 1ti6 s LYS 785 Ca 0.33 -1.37 -0.41 0.00 0.02 0.00 0.00 55.97 54.54 1ti6 s LYS 785 Cb -0.20 -0.43 -0.17 0.00 -0.52 0.00 0.00 37.83 36.51 1ti6 s LYS 785 CO 0.21 0.03 1.57 -1.71 -0.92 0.00 0.00 175.35 174.53 1ti6 n ASN 786 N -0.06 1.79 0.00 2.83 4.05 -1.26 -1.34 115.26 121.27 1ti6 n ASN 786 Ca -0.12 1.11 0.00 0.00 0.45 0.00 0.00 54.58 56.03 1ti6 n ASN 786 Cb 0.60 -1.08 0.00 0.00 1.23 0.00 0.00 39.78 40.53 1ti6 n ASN 786 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ti6 n GLY 787 N 3.54 1.76 3.76 8.20 0.00 0.47 -5.00 105.19 117.91 1ti6 n GLY 787 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 1ti6 n GLY 787 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ti6 s ASP 788 N -1.89 5.12 -0.11 1.61 1.01 -0.45 -4.57 116.67 117.39 1ti6 s ASP 788 Ca 0.00 2.24 -0.23 0.00 0.71 0.00 0.00 52.55 55.28 1ti6 s ASP 788 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 1ti6 s ASP 788 CO 0.00 -1.63 0.69 -0.76 0.21 0.00 0.00 175.17 173.68 1ti6 s LEU 789 N -4.38 4.27 0.23 1.23 1.43 -1.26 -0.69 118.68 119.50 1ti6 s LEU 789 Ca 0.73 1.10 0.08 0.00 -1.03 0.00 0.00 54.13 55.01 1ti6 s LEU 789 Cb -0.26 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.87 1ti6 s LEU 789 CO 0.36 -0.17 -0.12 0.27 0.23 0.00 0.00 176.35 176.91 1ti6 s ILE 790 N 1.16 1.75 -0.24 -0.59 -4.36 0.50 -1.64 121.20 117.78 1ti6 s ILE 790 Ca 0.35 -2.20 -0.01 0.00 -0.26 0.00 0.00 60.65 58.53 1ti6 s ILE 790 Cb -0.17 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.40 1ti6 s ILE 790 CO 0.15 -0.51 -0.08 -0.60 0.24 0.00 0.00 174.94 174.15 1ti6 s ARG 791 N -3.66 2.90 -0.17 0.37 3.52 0.10 -1.12 118.95 120.89 1ti6 s ARG 791 Ca 0.25 -0.93 -0.09 0.00 -0.13 0.00 0.00 55.73 54.83 1ti6 s ARG 791 Cb 0.00 -2.94 -0.05 0.00 -1.56 0.00 0.00 34.95 30.41 1ti6 s ARG 791 CO 0.09 -0.36 0.14 0.00 -0.81 0.00 0.00 175.30 174.36 1ti6 s ALA 792 N 1.33 3.75 0.26 6.12 0.00 -0.38 -2.15 121.76 130.69 1ti6 s ALA 792 Ca 0.01 -0.66 -0.18 0.00 0.00 0.00 0.00 51.96 51.13 1ti6 s ALA 792 Cb -0.16 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.86 1ti6 s ALA 792 CO -0.05 0.32 0.63 1.52 0.00 0.00 0.00 175.76 178.17 1ti6 s TYR 793 N -0.13 -0.03 0.00 0.00 -0.85 -0.31 -1.40 117.35 114.64 1ti6 s TYR 793 Ca 0.11 -0.39 0.00 0.00 -0.52 0.00 0.00 57.07 56.27 1ti6 s TYR 793 Cb -0.11 0.53 0.00 0.00 0.38 0.00 0.00 41.96 42.75 1ti6 s TYR 793 CO 0.00 -1.13 0.00 0.27 -1.52 0.00 0.00 175.55 173.17 1ti6 n ASN 794 N -0.43 0.00 0.25 -0.18 0.23 -1.09 -1.70 115.26 112.34 1ti6 n ASN 794 Ca -0.04 -0.11 0.10 0.00 -0.53 0.00 0.00 54.58 53.99 1ti6 n ASN 794 Cb 0.60 0.00 0.64 0.00 -2.08 0.00 0.00 39.78 38.94 1ti6 n ASN 794 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1ti6 h ASP 795 N 0.00 0.00 1.23 0.53 3.32 -1.95 -3.18 116.42 116.36 1ti6 h ASP 795 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1ti6 h ASP 795 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1ti6 h ASP 795 CO 0.00 0.14 -0.56 0.03 -1.72 0.00 0.00 179.24 177.14 1ti6 h ARG 796 N 0.00 0.00 0.00 3.56 3.08 -1.90 -3.49 114.38 115.63 1ti6 h ARG 796 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ti6 h ARG 796 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1ti6 h ARG 796 CO 0.02 0.56 0.00 0.41 -1.07 0.00 0.00 179.97 179.89 1ti6 n GLY 797 N 0.97 -1.13 2.94 0.04 0.00 -1.20 -4.79 105.19 102.02 1ti6 n GLY 797 Ca 0.01 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1ti6 n GLY 797 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ti6 s SER 798 N -4.00 0.36 -0.03 1.61 0.01 -1.26 -2.68 113.70 107.72 1ti6 s SER 798 Ca 0.00 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.09 1ti6 s SER 798 Cb 0.00 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.24 1ti6 s SER 798 CO 0.00 -0.06 -0.05 -0.69 0.41 0.00 0.00 173.24 172.86 1ti6 s VAL 799 N -0.47 0.49 -0.19 3.43 1.01 -0.49 -1.88 120.40 122.31 1ti6 s VAL 799 Ca -0.03 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 1ti6 s VAL 799 Cb -0.04 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1ti6 s VAL 799 CO -0.00 0.19 0.25 -0.63 0.00 0.00 0.00 175.10 174.90 1ti6 s ILE 800 N 0.50 5.33 0.17 2.22 1.09 -0.04 -1.25 121.20 129.21 1ti6 s ILE 800 Ca -0.06 0.43 -0.00 0.00 -1.10 0.00 0.00 60.65 59.91 1ti6 s ILE 800 Cb -0.10 -3.59 -0.04 0.00 -1.06 0.00 0.00 42.46 37.67 1ti6 s ILE 800 CO -0.00 0.38 0.08 -0.76 -0.10 0.00 0.00 174.94 174.54 1ti6 s LEU 801 N 0.61 1.60 -0.22 2.97 1.43 -0.28 -4.57 118.68 120.22 1ti6 s LEU 801 Ca 0.13 -1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 51.84 1ti6 s LEU 801 Cb -0.13 0.26 -0.05 0.00 0.03 0.00 0.00 46.19 46.31 1ti6 s LEU 801 CO 0.03 -0.75 0.21 0.00 0.23 0.00 0.00 176.35 176.07 1ti6 s ALA 802 N -4.01 3.61 0.21 4.21 0.00 0.45 -0.37 121.76 125.85 1ti6 s ALA 802 Ca 0.30 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 1ti6 s ALA 802 Cb 0.07 -2.37 -0.08 0.00 0.00 0.00 0.00 23.12 20.74 1ti6 s ALA 802 CO 0.06 -0.16 0.97 0.00 0.00 0.00 0.00 175.76 176.64 1ti6 s ALA 803 N 0.99 3.33 -0.31 0.00 0.00 0.13 -1.87 121.76 124.04 1ti6 s ALA 803 Ca 0.10 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.74 1ti6 s ALA 803 Cb -0.13 -3.24 0.09 0.00 0.00 0.00 0.00 23.12 19.83 1ti6 s ALA 803 CO 0.04 0.10 0.01 -1.14 0.00 0.00 0.00 175.76 174.77 1ti6 s GLN 804 N -0.91 1.60 -0.06 0.00 0.74 -0.26 -0.40 119.66 120.37 1ti6 s GLN 804 Ca 0.43 -1.58 -0.30 0.00 0.05 0.00 0.00 55.36 53.96 1ti6 s GLN 804 Cb -0.26 -2.95 -0.03 0.00 1.10 0.00 0.00 33.01 30.87 1ti6 s GLN 804 CO 0.33 -0.82 1.17 0.08 -0.55 0.00 0.00 175.29 175.49 1ti6 s VAL 805 N 1.07 4.34 0.29 1.34 1.01 -1.26 -1.52 120.40 125.67 1ti6 s VAL 805 Ca 0.04 1.66 0.04 0.00 0.00 0.00 0.00 61.98 63.72 1ti6 s VAL 805 Cb -0.19 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1ti6 s VAL 805 CO -0.09 -0.00 0.22 0.28 0.00 0.00 0.00 175.10 175.51 1ti6 s THR 806 N 2.19 0.05 -0.82 3.92 -1.32 0.49 -4.92 115.64 115.23 1ti6 s THR 806 Ca 0.55 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 59.11 1ti6 s THR 806 Cb -0.24 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 1ti6 s THR 806 CO 0.21 0.00 0.60 -0.62 -2.21 0.00 0.00 174.62 172.60 1ti6 n GLU 807 N -0.52 1.99 0.00 7.08 -0.58 -1.26 -2.19 120.64 125.16 1ti6 n GLU 807 Ca 0.05 -0.60 0.00 0.00 -0.42 0.00 0.00 57.16 56.19 1ti6 n GLU 807 Cb 0.64 -1.05 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 1ti6 n GLU 807 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ti6 s LEU 809 N 0.00 0.35 0.38 0.00 1.43 -1.26 -1.61 118.68 117.97 1ti6 s LEU 809 Ca 0.00 0.84 -0.27 0.00 -1.03 0.00 0.00 54.13 53.68 1ti6 s LEU 809 Cb 0.00 1.50 -0.09 0.00 0.03 0.00 0.00 46.19 47.62 1ti6 s LEU 809 CO 0.00 -0.17 1.26 -1.58 0.23 0.00 0.00 176.35 176.09 1ti6 s GLN 810 N 0.15 4.12 0.21 1.70 0.74 -1.26 -4.73 119.66 120.60 1ti6 s GLN 810 Ca -0.01 2.08 -0.32 0.00 0.05 0.00 0.00 55.36 57.16 1ti6 s GLN 810 Cb -0.03 -2.84 -0.14 0.00 1.10 0.00 0.00 33.01 31.10 1ti6 s GLN 810 CO 0.01 -0.34 1.34 -2.30 -0.55 0.00 0.00 175.29 173.45 1ti6 n PRO 811 N 0.34 1.74 0.00 1.67 -0.02 -1.26 -1.63 135.00 135.84 1ti6 n PRO 811 Ca 0.03 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1ti6 n PRO 811 Cb 0.44 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1ti6 n PRO 811 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ti6 n GLY 812 N 2.18 0.26 3.31 -1.23 0.00 -1.26 -5.07 105.19 103.38 1ti6 n GLY 812 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1ti6 n GLY 812 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s THR 813 N -2.00 2.52 0.22 2.61 2.01 -0.65 -1.24 115.64 119.11 1ti6 s THR 813 Ca 0.00 -0.87 0.11 0.00 0.31 0.00 0.00 61.69 61.24 1ti6 s THR 813 Cb 0.00 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 1ti6 s THR 813 CO 0.00 0.55 -0.18 0.68 -0.69 0.00 0.00 174.62 174.99 1ti6 s VAL 814 N 0.12 2.66 -0.02 3.82 -7.23 0.34 -4.30 120.40 115.79 1ti6 s VAL 814 Ca -0.10 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.04 1ti6 s VAL 814 Cb -0.16 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.46 1ti6 s VAL 814 CO 0.06 -0.22 -0.04 -2.28 -0.31 0.00 0.00 175.10 172.31 1ti6 s HIS 815 N -1.97 0.52 -0.22 2.82 5.04 -0.57 -2.65 115.29 118.26 1ti6 s HIS 815 Ca 0.25 -0.10 -0.09 0.00 -1.54 0.00 0.00 55.06 53.58 1ti6 s HIS 815 Cb -0.07 -0.44 0.09 0.00 0.04 0.00 0.00 32.58 32.19 1ti6 s HIS 815 CO 0.13 -0.10 0.48 0.45 -2.34 0.00 0.00 174.74 173.37 1ti6 s SER 816 N 0.49 -0.52 0.60 9.88 0.15 -1.11 0.82 113.70 124.00 1ti6 s SER 816 Ca -0.06 1.12 -0.19 0.00 0.70 0.00 0.00 55.95 57.53 1ti6 s SER 816 Cb -0.09 1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 65.60 1ti6 s SER 816 CO -0.00 -0.22 1.24 -0.31 1.20 0.00 0.00 173.24 175.15 1ti6 s TYR 817 N 2.34 2.30 0.10 3.44 4.12 -1.26 -4.01 117.35 124.38 1ti6 s TYR 817 Ca -0.05 1.50 -0.00 0.00 0.02 0.00 0.00 57.07 58.53 1ti6 s TYR 817 Cb -0.11 -3.57 0.02 0.00 -1.52 0.00 0.00 41.96 36.78 1ti6 s TYR 817 CO -0.14 -2.47 0.14 -0.85 0.02 0.00 0.00 175.55 172.25 1ti6 n GLU 818 N -1.61 0.44 -1.14 -0.62 -0.00 -0.23 -4.69 120.64 112.78 1ti6 n GLU 818 Ca 0.14 -0.35 -0.05 0.00 -0.00 0.00 0.00 57.16 56.90 1ti6 n GLU 818 Cb 0.49 -0.10 -0.02 0.00 -0.00 0.00 0.00 31.44 31.81 1ti6 n GLU 818 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1ti6 n SER 819 N -3.00 -3.84 -4.66 -1.84 7.64 -0.65 -4.08 113.62 103.19 1ti6 n SER 819 Ca 0.02 0.12 -0.46 0.00 1.01 0.00 0.00 58.87 59.56 1ti6 n SER 819 Cb 0.08 -1.77 -0.04 0.00 -1.01 0.00 0.00 64.21 61.47 1ti6 n SER 819 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ti6 n ALA 821 N 2.54 3.29 -2.87 0.00 0.00 -1.26 -4.29 120.51 117.93 1ti6 n ALA 821 Ca 0.15 -0.30 -0.37 0.00 0.00 0.00 0.00 53.44 52.91 1ti6 n ALA 821 Cb 0.29 -1.16 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 1ti6 n ALA 821 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ti6 s VAL 822 N -3.04 4.72 -0.34 0.00 1.01 -1.26 -3.18 120.40 118.32 1ti6 s VAL 822 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1ti6 s VAL 822 Cb 0.17 -3.21 0.06 0.00 0.00 0.00 0.00 36.38 33.40 1ti6 s VAL 822 CO 0.69 0.33 0.08 -0.47 0.00 0.00 0.00 175.10 175.72 1ti6 s TYR 823 N 1.48 3.33 -0.51 5.22 5.04 -1.26 -3.89 117.35 126.77 1ti6 s TYR 823 Ca 0.06 -1.85 0.04 0.00 -2.44 0.00 0.00 57.07 52.88 1ti6 s TYR 823 Cb -0.15 -2.41 0.16 0.00 0.35 0.00 0.00 41.96 39.91 1ti6 s TYR 823 CO 0.06 -0.82 0.36 0.34 -1.34 0.00 0.00 175.55 174.14 1ti6 s ASP 824 N 1.44 3.06 0.42 4.32 2.15 -1.26 -4.80 116.67 121.99 1ti6 s ASP 824 Ca -0.01 -3.17 -0.25 0.00 0.43 0.00 0.00 52.55 49.55 1ti6 s ASP 824 Cb -0.20 -0.94 -0.08 0.00 -0.30 0.00 0.00 42.92 41.39 1ti6 s ASP 824 CO -0.01 -0.17 1.28 -2.84 -0.17 0.00 0.00 175.17 173.27 1ti6 s PRO 825 N -0.29 3.91 0.28 4.34 0.02 -1.26 -1.53 135.00 140.46 1ti6 s PRO 825 Ca 0.26 2.10 0.24 0.00 0.02 0.00 0.00 61.00 63.63 1ti6 s PRO 825 Cb -0.07 -2.69 0.40 0.00 0.02 0.00 0.00 34.50 32.16 1ti6 s PRO 825 CO -0.13 -0.52 1.50 -0.07 -0.33 0.00 0.00 177.00 177.44 1ti6 h LEU 826 N 2.56 0.00 0.00 -5.54 3.38 -1.15 -3.44 115.31 111.12 1ti6 h LEU 826 Ca -0.50 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1ti6 h LEU 826 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1ti6 h LEU 826 CO 0.62 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.78 1ti6 n GLY 827 N 1.21 5.54 3.75 0.83 0.00 -1.26 -4.94 105.19 110.32 1ti6 n GLY 827 Ca 0.04 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1ti6 n GLY 827 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s THR 828 N 2.54 2.62 0.28 2.61 2.01 -1.26 -4.40 115.64 120.05 1ti6 s THR 828 Ca 0.00 0.53 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 1ti6 s THR 828 Cb 0.00 -3.34 -0.12 0.00 0.01 0.00 0.00 72.50 69.05 1ti6 s THR 828 CO 0.00 0.09 1.55 0.00 -0.69 0.00 0.00 174.62 175.57 1ti6 n ALA 829 N 2.24 2.22 -0.55 7.40 0.00 -1.26 -1.76 120.51 128.81 1ti6 n ALA 829 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1ti6 n ALA 829 Cb 0.40 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1ti6 n ALA 829 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti6 n GLY 830 N 2.10 1.41 0.00 0.00 0.00 -1.26 -4.74 105.19 102.70 1ti6 n GLY 830 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ti6 n GLY 830 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ti6 n LYS 831 N -2.00 0.42 -4.44 1.61 5.02 -0.72 -4.80 118.16 113.25 1ti6 n LYS 831 Ca 0.00 -0.26 -0.25 0.00 -2.02 0.00 0.00 58.31 55.78 1ti6 n LYS 831 Cb 0.00 -0.73 -0.07 0.00 -0.02 0.00 0.00 35.03 34.21 1ti6 n LYS 831 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ti6 n SER 832 N -0.14 0.90 -4.77 4.39 3.41 -1.02 -1.50 113.62 114.89 1ti6 n SER 832 Ca 0.00 -3.24 -0.35 0.00 -0.26 0.00 0.00 58.87 55.02 1ti6 n SER 832 Cb 0.07 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 1ti6 n SER 832 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ti6 s ALA 833 N -3.18 2.69 -0.00 7.33 0.00 -0.57 -4.68 121.76 123.34 1ti6 s ALA 833 Ca 0.25 0.85 0.05 0.00 0.00 0.00 0.00 51.96 53.10 1ti6 s ALA 833 Cb 0.01 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1ti6 s ALA 833 CO 0.17 -0.80 -0.13 0.34 0.00 0.00 0.00 175.76 175.34 1ti6 s ASP 834 N -1.74 4.11 0.00 0.00 2.15 -0.79 -0.56 116.67 119.84 1ti6 s ASP 834 Ca 0.73 -0.26 0.05 0.00 0.43 0.00 0.00 52.55 53.50 1ti6 s ASP 834 Cb -0.25 -0.83 0.08 0.00 -0.30 0.00 0.00 42.92 41.63 1ti6 s ASP 834 CO 0.28 0.30 0.88 -2.11 -0.17 0.00 0.00 175.17 174.35 1ti6 n ARG 835 N 1.84 1.31 -0.09 4.34 1.85 -0.58 -0.87 116.66 124.46 1ti6 n ARG 835 Ca -0.16 -1.26 -0.10 0.00 -1.00 0.00 0.00 57.85 55.33 1ti6 n ARG 835 Cb 0.52 -1.10 0.05 0.00 -1.05 0.00 0.00 32.46 30.88 1ti6 n ARG 835 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1ti6 h GLY 836 N 0.91 0.89 0.00 2.89 0.00 -1.72 -3.42 103.07 102.61 1ti6 h GLY 836 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1ti6 h GLY 836 CO 0.00 0.75 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1ti6 n GLY 837 N -0.08 1.96 3.48 4.60 0.00 -1.25 -4.41 105.19 109.49 1ti6 n GLY 837 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1ti6 n GLY 837 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti6 h ILE 839 N 5.59 0.65 0.00 0.00 1.08 -1.89 -0.95 117.51 122.00 1ti6 h ILE 839 Ca 0.37 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.84 1ti6 h ILE 839 Cb 0.86 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 1ti6 h ILE 839 CO 1.44 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 179.49 1ti6 n ASN 840 N -4.12 0.00 0.18 1.72 3.02 -1.26 -0.79 115.26 114.01 1ti6 n ASN 840 Ca 0.04 -0.33 0.04 0.00 -0.03 0.00 0.00 54.58 54.29 1ti6 n ASN 840 Cb 0.38 -0.01 0.32 0.00 -0.61 0.00 0.00 39.78 39.86 1ti6 n ASN 840 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ti6 h ILE 841 N 0.00 1.05 0.00 2.41 2.04 -1.40 -1.56 117.51 120.04 1ti6 h ILE 841 Ca 0.00 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.28 1ti6 h ILE 841 Cb 0.00 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1ti6 h ILE 841 CO 0.00 0.41 -0.98 0.18 0.00 0.00 0.00 178.15 177.76 1ti6 n LEU 842 N -3.67 0.62 -4.78 1.44 4.77 0.03 -4.19 117.00 111.22 1ti6 n LEU 842 Ca -0.01 -0.03 -0.37 0.00 -0.03 0.00 0.00 56.01 55.57 1ti6 n LEU 842 Cb 0.51 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1ti6 n LEU 842 CO 0.38 0.06 0.73 0.42 -1.33 0.00 0.00 177.39 177.64 1ti6 s THR 843 N -3.17 3.76 0.26 -5.08 -4.23 -1.21 -4.80 115.64 101.17 1ti6 s THR 843 Ca 0.04 1.42 -0.30 0.00 -1.18 0.00 0.00 61.69 61.68 1ti6 s THR 843 Cb 0.15 -3.77 -0.10 0.00 1.34 0.00 0.00 72.50 70.11 1ti6 s THR 843 CO 0.80 0.08 1.45 -2.16 -0.54 0.00 0.00 174.62 174.25 1ti6 s PRO 844 N -2.28 4.25 0.00 3.99 0.04 -1.26 -0.33 135.00 139.41 1ti6 s PRO 844 Ca 0.55 2.33 0.24 0.00 0.04 0.00 0.00 61.00 64.16 1ti6 s PRO 844 Cb -0.23 -3.10 0.47 0.00 0.04 0.00 0.00 34.50 31.68 1ti6 s PRO 844 CO 0.29 -0.44 1.42 -0.40 0.04 0.00 0.00 177.00 177.91 1ti6 n ASP 845 N 2.28 2.66 -4.74 6.66 3.85 -1.26 -4.51 116.55 121.48 1ti6 n ASP 845 Ca 0.07 -1.87 -0.41 0.00 -0.71 0.00 0.00 54.79 51.87 1ti6 n ASP 845 Cb 0.40 -0.06 -0.03 0.00 -1.35 0.00 0.00 41.12 40.08 1ti6 n ASP 845 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1ti6 s ARG 846 N -1.88 4.41 0.56 0.11 3.52 -1.26 -4.98 118.95 119.43 1ti6 s ARG 846 Ca 0.33 2.05 -0.21 0.00 -0.13 0.00 0.00 55.73 57.77 1ti6 s ARG 846 Cb 0.21 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 1ti6 s ARG 846 CO 0.31 -0.20 1.30 0.71 -0.81 0.00 0.00 175.30 176.61 1ti6 s TYR 847 N -0.18 2.33 0.37 5.12 4.12 -1.26 -4.43 117.35 123.41 1ti6 s TYR 847 Ca 0.54 1.43 0.18 0.00 0.02 0.00 0.00 57.07 59.24 1ti6 s TYR 847 Cb -0.36 -3.68 1.13 0.00 -1.52 0.00 0.00 41.96 37.52 1ti6 s TYR 847 CO 0.41 -2.64 1.69 0.82 0.02 0.00 0.00 175.55 175.84 1ti6 h ILE 848 N 1.24 0.34 -3.76 2.71 2.04 -1.33 -3.43 117.51 115.32 1ti6 h ILE 848 Ca -0.51 -0.11 -0.18 0.00 1.00 0.00 0.00 64.86 65.06 1ti6 h ILE 848 Cb 1.30 -0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 1ti6 h ILE 848 CO 0.56 0.06 -0.05 -0.94 0.00 0.00 0.00 178.15 177.79 1ti6 s SER 849 N -4.94 0.58 0.25 1.72 1.04 -1.12 -4.95 113.70 106.29 1ti6 s SER 849 Ca -0.09 -1.35 -0.05 0.00 0.48 0.00 0.00 55.95 54.94 1ti6 s SER 849 Cb 0.29 0.72 0.34 0.00 0.10 0.00 0.00 66.02 67.47 1ti6 s SER 849 CO 0.80 -1.41 1.87 0.50 0.98 0.00 0.00 173.24 175.98 1ti6 h LYS 850 N 2.08 1.05 0.00 4.02 3.64 -1.93 -3.22 116.57 122.21 1ti6 h LYS 850 Ca -0.29 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1ti6 h LYS 850 Cb 1.24 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1ti6 h LYS 850 CO 0.39 0.70 -0.46 0.66 -2.27 0.00 0.00 179.45 178.47 1ti6 n TYR 851 N -4.55 0.00 -2.90 1.91 4.01 -1.26 -4.77 117.16 109.59 1ti6 n TYR 851 Ca 0.13 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.44 1ti6 n TYR 851 Cb 0.16 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.15 1ti6 n TYR 851 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ti6 s ALA 852 N -1.84 3.48 -1.28 -0.72 0.00 -1.22 -4.64 121.76 115.54 1ti6 s ALA 852 Ca 0.03 -2.89 -0.08 0.00 0.00 0.00 0.00 51.96 49.01 1ti6 s ALA 852 Cb 0.06 -4.11 -0.09 0.00 0.00 0.00 0.00 23.12 18.98 1ti6 s ALA 852 CO 0.34 -2.98 2.77 0.00 0.00 0.00 0.00 175.76 175.89 1ti6 s GLY 854 N 2.49 2.54 0.15 0.00 0.00 -1.26 -4.91 107.32 106.33 1ti6 s GLY 854 Ca 0.61 -2.17 -0.22 0.00 0.00 0.00 0.00 44.72 42.94 1ti6 s GLY 854 CO -0.05 -2.10 0.70 -3.16 0.00 0.00 0.00 173.10 168.49 1ti6 s MET 855 N -3.72 4.37 -0.29 2.90 0.23 -1.26 -1.99 119.30 119.53 1ti6 s MET 855 Ca 0.33 0.95 0.07 0.00 -1.03 0.00 0.00 55.69 56.01 1ti6 s MET 855 Cb 0.09 -3.14 0.45 0.00 -1.53 0.00 0.00 34.83 30.70 1ti6 s MET 855 CO 0.17 0.54 1.21 0.00 -2.03 0.00 0.00 175.02 174.92 1ti6 n ALA 856 N 1.37 4.84 -0.24 3.16 0.00 -1.26 -3.94 120.51 124.45 1ti6 n ALA 856 Ca -0.06 -3.71 0.04 0.00 0.00 0.00 0.00 53.44 49.72 1ti6 n ALA 856 Cb 0.50 -0.36 0.16 0.00 0.00 0.00 0.00 19.45 19.76 1ti6 n ALA 856 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1ti6 h ASN 857 N 1.99 0.07 0.00 0.00 4.21 -1.74 -3.13 115.58 116.98 1ti6 h ASN 857 Ca 0.32 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.96 1ti6 h ASN 857 Cb 1.45 0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.81 1ti6 h ASN 857 CO 0.66 0.01 0.00 0.59 -1.29 0.00 0.00 177.43 177.40 1ti6 n ASN 858 N -5.11 0.08 -3.74 5.81 3.02 -0.30 -4.03 115.26 110.98 1ti6 n ASN 858 Ca 0.13 -0.84 -0.29 0.00 -0.03 0.00 0.00 54.58 53.55 1ti6 n ASN 858 Cb 0.41 -0.04 -0.15 0.00 -0.61 0.00 0.00 39.78 39.39 1ti6 n ASN 858 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ti6 s THR 859 N -1.81 0.81 -0.05 3.41 -4.23 -1.18 -4.36 115.64 108.22 1ti6 s THR 859 Ca 0.00 -1.18 -0.02 0.00 -1.18 0.00 0.00 61.69 59.31 1ti6 s THR 859 Cb 0.00 -1.51 0.03 0.00 1.34 0.00 0.00 72.50 72.36 1ti6 s THR 859 CO 0.00 -0.53 0.11 0.00 -0.54 0.00 0.00 174.62 173.66 1ti6 s ALA 860 N 1.67 -0.16 -0.15 3.99 0.00 -0.98 -4.60 121.76 121.52 1ti6 s ALA 860 Ca 0.06 0.55 -0.15 0.00 0.00 0.00 0.00 51.96 52.43 1ti6 s ALA 860 Cb -0.17 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1ti6 s ALA 860 CO -0.20 -0.14 0.34 -0.51 0.00 0.00 0.00 175.76 175.25 1ti6 s LEU 861 N 1.09 4.24 0.29 0.00 1.43 -1.26 -0.18 118.68 124.30 1ti6 s LEU 861 Ca -0.09 0.58 0.04 0.00 -1.03 0.00 0.00 54.13 53.63 1ti6 s LEU 861 Cb -0.11 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 1ti6 s LEU 861 CO -0.05 0.06 0.26 0.68 0.23 0.00 0.00 176.35 177.53 1ti6 s VAL 862 N 0.57 0.00 0.03 -1.59 -7.23 -0.24 -4.77 120.40 107.18 1ti6 s VAL 862 Ca 0.19 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 1ti6 s VAL 862 Cb -0.14 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1ti6 s VAL 862 CO 0.06 0.00 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.06 1ti6 s GLU 863 N -3.62 0.57 0.13 4.82 2.56 -0.69 -1.38 118.70 121.09 1ti6 s GLU 863 Ca 0.39 -0.62 0.05 0.00 0.00 0.00 0.00 54.97 54.79 1ti6 s GLU 863 Cb 0.03 -0.43 -0.04 0.00 2.00 0.00 0.00 34.13 35.69 1ti6 s GLU 863 CO 0.22 0.10 -0.13 0.96 -0.56 0.00 0.00 175.26 175.86 1ti6 s ILE 864 N -0.99 1.27 0.16 -3.70 -4.36 -1.26 -1.16 121.20 111.17 1ti6 s ILE 864 Ca -0.05 -1.82 -0.23 0.00 -0.26 0.00 0.00 60.65 58.29 1ti6 s ILE 864 Cb -0.08 -1.61 0.06 0.00 1.25 0.00 0.00 42.46 42.08 1ti6 s ILE 864 CO 0.00 -0.52 0.68 -1.83 0.24 0.00 0.00 174.94 173.51 1ti6 s GLU 865 N -3.00 1.32 0.34 0.37 -1.05 -0.91 -4.98 118.70 110.79 1ti6 s GLU 865 Ca 0.11 -0.56 -0.29 0.00 -0.15 0.00 0.00 54.97 54.08 1ti6 s GLU 865 Cb -0.03 0.56 -0.10 0.00 -0.44 0.00 0.00 34.13 34.12 1ti6 s GLU 865 CO 0.02 -0.59 1.38 0.15 0.95 0.00 0.00 175.26 177.17 1ti6 s LYS 866 N -3.68 4.27 -0.03 -4.83 1.02 -1.26 0.01 119.74 115.25 1ti6 s LYS 866 Ca 0.04 2.33 -0.30 0.00 0.02 0.00 0.00 55.97 58.06 1ti6 s LYS 866 Cb -0.02 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 1ti6 s LYS 866 CO -0.08 -0.32 1.12 -0.46 -0.92 0.00 0.00 175.35 174.70 1ti6 s TRP 867 N -1.01 3.40 -2.11 3.18 -0.00 -0.65 -4.64 118.94 117.12 1ti6 s TRP 867 Ca 0.51 1.40 0.15 0.00 -0.00 0.00 0.00 56.10 58.16 1ti6 s TRP 867 Cb -0.42 -3.32 0.57 0.00 -0.00 0.00 0.00 33.47 30.31 1ti6 s TRP 867 CO 0.55 -0.84 1.41 -0.40 -0.00 0.00 0.00 176.95 177.67 1ti6 n ASP 868 N 4.61 1.26 0.00 5.86 5.68 -1.26 -4.90 116.55 127.80 1ti6 n ASP 868 Ca 0.09 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 1ti6 n ASP 868 Cb 0.48 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1ti6 n ASP 868 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ti6 n GLY 869 N 0.98 0.77 3.87 6.12 0.00 -1.26 -5.04 105.19 110.62 1ti6 n GLY 869 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1ti6 n GLY 869 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ti6 s ASP 870 N -2.55 6.38 0.09 1.61 -1.08 -1.26 -5.01 116.67 114.85 1ti6 s ASP 870 Ca 0.00 1.31 0.24 0.00 -0.52 0.00 0.00 52.55 53.58 1ti6 s ASP 870 Cb 0.00 -2.41 0.25 0.00 -1.46 0.00 0.00 42.92 39.30 1ti6 s ASP 870 CO 0.00 -0.67 1.22 2.29 0.52 0.00 0.00 175.17 178.54 1ti6 n LYS 871 N -2.14 0.28 -3.76 4.34 2.85 -1.26 -4.98 118.16 113.50 1ti6 n LYS 871 Ca 0.04 0.05 -0.31 0.00 -1.05 0.00 0.00 58.31 57.04 1ti6 n LYS 871 Cb 0.54 -1.65 0.02 0.00 -0.65 0.00 0.00 35.03 33.30 1ti6 n LYS 871 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ti6 n TYR 872 N -2.03 -1.90 -2.57 5.58 4.02 -1.26 -1.51 117.16 117.48 1ti6 n TYR 872 Ca 0.03 0.50 -0.43 0.00 -0.01 0.00 0.00 57.90 57.99 1ti6 n TYR 872 Cb 0.43 -3.15 0.00 0.00 -0.02 0.00 0.00 39.34 36.60 1ti6 n TYR 872 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1ti6 n GLU 873 N -3.82 3.56 -0.13 -0.72 2.13 -1.26 -3.31 120.64 117.09 1ti6 n GLU 873 Ca -0.14 -3.68 0.03 0.00 0.66 0.00 0.00 57.16 54.03 1ti6 n GLU 873 Cb 0.60 -2.95 0.04 0.00 0.27 0.00 0.00 31.44 29.40 1ti6 n GLU 873 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1ti6 n ILE 874 N 3.70 0.81 0.50 6.31 -5.35 -0.91 -4.91 119.36 119.49 1ti6 n ILE 874 Ca 0.38 -0.91 0.06 0.00 -0.27 0.00 0.00 62.75 62.01 1ti6 n ILE 874 Cb 0.38 0.40 0.05 0.00 -1.74 0.00 0.00 39.64 38.73 1ti6 n ILE 874 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57