#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 2.70 3.98 3.03 0.00 -1.26 -5.04 105.19 108.61 1ti6 n GLY 2 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.91 2.71 0.09 1.61 0.41 -1.26 -4.75 118.70 116.61 1ti6 s GLU 3 Ca 0.00 -1.35 -0.30 0.00 -0.41 0.00 0.00 54.97 52.91 1ti6 s GLU 3 Cb 0.00 -2.66 -0.05 0.00 -1.78 0.00 0.00 34.13 29.64 1ti6 s GLU 3 CO 0.00 -0.31 1.02 0.08 -0.49 0.00 0.00 175.26 175.56 1ti6 s VAL 4 N -2.41 4.42 -0.05 2.63 1.01 -1.26 -4.53 120.40 120.21 1ti6 s VAL 4 Ca 0.54 1.92 0.06 0.00 0.00 0.00 0.00 61.98 64.49 1ti6 s VAL 4 Cb -0.08 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 1ti6 s VAL 4 CO 0.32 0.25 -0.24 -0.69 0.00 0.00 0.00 175.10 174.75 1ti6 s VAL 5 N 0.31 2.19 -0.30 2.92 1.01 0.77 -4.93 120.40 122.37 1ti6 s VAL 5 Ca 0.50 -1.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1ti6 s VAL 5 Cb -0.25 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1ti6 s VAL 5 CO 0.30 0.57 0.49 -0.60 0.00 0.00 0.00 175.10 175.86 1ti6 s ARG 6 N -0.27 3.88 0.51 2.72 3.52 -1.26 -0.80 118.95 127.25 1ti6 s ARG 6 Ca -0.00 0.08 0.04 0.00 -0.13 0.00 0.00 55.73 55.71 1ti6 s ARG 6 Cb -0.13 -3.71 0.00 0.00 -1.56 0.00 0.00 34.95 29.55 1ti6 s ARG 6 CO 0.03 -0.45 0.18 -0.51 -0.81 0.00 0.00 175.30 173.73 1ti6 s LEU 7 N 2.30 2.57 0.11 -0.88 1.43 0.15 -4.91 118.68 119.45 1ti6 s LEU 7 Ca 0.19 -1.42 0.09 0.00 -1.03 0.00 0.00 54.13 51.96 1ti6 s LEU 7 Cb -0.16 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 1ti6 s LEU 7 CO 0.11 -0.91 -0.24 0.42 0.23 0.00 0.00 176.35 175.97 1ti6 s THR 8 N -2.80 1.94 0.17 5.49 -4.23 -1.26 0.44 115.64 115.39 1ti6 s THR 8 Ca 0.22 -1.59 -0.10 0.00 -1.18 0.00 0.00 61.69 59.04 1ti6 s THR 8 Cb 0.01 -1.73 0.04 0.00 1.34 0.00 0.00 72.50 72.15 1ti6 s THR 8 CO 0.13 0.04 0.50 -3.20 -0.54 0.00 0.00 174.62 171.55 1ti6 n ASN 9 N 1.11 -1.13 -1.36 3.99 2.85 -0.86 -1.25 115.26 118.61 1ti6 n ASN 9 Ca -0.19 -1.71 -0.02 0.00 -0.11 0.00 0.00 54.58 52.55 1ti6 n ASN 9 Cb 0.53 1.87 -0.00 0.00 1.24 0.00 0.00 39.78 43.42 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 -1.15 -0.28 -3.21 1.20 2.88 -1.26 -0.86 113.62 110.93 1ti6 n SER 10 Ca -0.03 -1.34 -0.02 0.00 -1.33 0.00 0.00 58.87 56.15 1ti6 n SER 10 Cb 0.33 0.51 0.02 0.00 -0.75 0.00 0.00 64.21 64.31 1ti6 n SER 10 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ti6 n SER 11 N -1.87 -1.61 0.00 -3.46 3.41 -0.93 -4.81 113.62 104.35 1ti6 n SER 11 Ca -0.00 -1.82 0.12 0.00 -0.26 0.00 0.00 58.87 56.91 1ti6 n SER 11 Cb 0.11 2.61 0.68 0.00 -0.26 0.00 0.00 64.21 67.35 1ti6 n SER 11 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ti6 n THR 12 N -0.70 0.05 -0.25 6.66 -2.24 -1.26 -2.05 114.28 114.49 1ti6 n THR 12 Ca -0.02 0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1ti6 n THR 12 Cb 0.55 -0.64 0.08 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.52 3.24 0.00 3.38 0.00 -1.26 -3.85 105.19 107.22 1ti6 n GLY 13 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.35 2.87 3.78 -0.02 0.00 -0.87 -1.57 105.19 109.04 1ti6 n GLY 14 Ca 0.07 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.88 3.14 0.07 1.61 0.02 -1.26 -2.19 135.00 133.51 1ti6 s PRO 15 Ca 0.00 1.39 -0.06 0.00 0.02 0.00 0.00 61.00 62.35 1ti6 s PRO 15 Cb 0.00 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 1ti6 s PRO 15 CO 0.00 -0.98 0.11 0.14 -0.33 0.00 0.00 177.00 175.94 1ti6 s VAL 16 N -2.21 0.16 -0.18 3.83 -7.23 -0.04 -4.40 120.40 110.33 1ti6 s VAL 16 Ca 0.67 -1.33 -0.11 0.00 -1.81 0.00 0.00 61.98 59.41 1ti6 s VAL 16 Cb -0.20 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 1ti6 s VAL 16 CO 0.35 -0.73 0.18 -0.36 -0.31 0.00 0.00 175.10 174.23 1ti6 s PHE 17 N -3.60 3.45 -0.23 2.82 2.99 -0.39 -2.02 117.98 121.00 1ti6 s PHE 17 Ca 0.03 0.44 -0.02 0.00 0.00 0.00 0.00 56.93 57.38 1ti6 s PHE 17 Cb 0.04 -2.18 0.02 0.00 0.00 0.00 0.00 43.02 40.90 1ti6 s PHE 17 CO -0.09 0.34 -0.07 0.08 -0.00 0.00 0.00 175.22 175.48 1ti6 s VAL 18 N 0.18 2.89 -0.23 -0.44 1.01 0.17 -1.51 120.40 122.46 1ti6 s VAL 18 Ca 0.11 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 1ti6 s VAL 18 Cb -0.12 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1ti6 s VAL 18 CO 0.01 0.29 0.58 -0.31 0.00 0.00 0.00 175.10 175.66 1ti6 s TYR 19 N 1.35 3.31 0.07 5.22 1.51 -0.77 0.34 117.35 128.39 1ti6 s TYR 19 Ca 0.02 0.78 0.09 0.00 -1.01 0.00 0.00 57.07 56.95 1ti6 s TYR 19 Cb -0.16 -2.77 -0.03 0.00 -0.11 0.00 0.00 41.96 38.90 1ti6 s TYR 19 CO -0.05 -0.24 -0.26 0.08 -1.11 0.00 0.00 175.55 173.97 1ti6 s VAL 20 N 2.17 2.09 -0.11 0.71 1.01 0.02 -0.25 120.40 126.02 1ti6 s VAL 20 Ca 0.25 -1.45 -0.06 0.00 0.00 0.00 0.00 61.98 60.71 1ti6 s VAL 20 Cb -0.16 -1.81 0.04 0.00 0.00 0.00 0.00 36.38 34.46 1ti6 s VAL 20 CO 0.09 0.27 0.27 -0.75 0.00 0.00 0.00 175.10 174.98 1ti6 s LYS 21 N -1.44 0.25 -1.54 2.72 2.20 -0.14 -0.16 119.74 121.62 1ti6 s LYS 21 Ca 0.11 0.54 -0.07 0.00 -0.36 0.00 0.00 55.97 56.20 1ti6 s LYS 21 Cb -0.10 -0.06 0.06 0.00 -1.51 0.00 0.00 37.83 36.22 1ti6 s LYS 21 CO 0.03 -0.14 0.48 -0.25 -0.36 0.00 0.00 175.35 175.11 1ti6 n ASP 22 N 4.02 -1.15 -0.70 1.43 8.00 -1.26 -0.57 116.55 126.32 1ti6 n ASP 22 Ca -0.23 -1.05 -0.09 0.00 0.71 0.00 0.00 54.79 54.12 1ti6 n ASP 22 Cb 0.54 -2.70 -0.04 0.00 -0.02 0.00 0.00 41.12 38.90 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 -1.86 1.05 3.11 0.44 0.00 -1.26 -5.01 105.19 101.66 1ti6 n GLY 23 Ca -0.18 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.57 1.23 -0.16 1.61 2.20 0.26 -4.73 119.74 117.57 1ti6 s LYS 24 Ca 0.00 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.80 1ti6 s LYS 24 Cb 0.00 -1.17 -0.00 0.00 -1.51 0.00 0.00 37.83 35.15 1ti6 s LYS 24 CO 0.00 0.30 1.07 0.42 -0.36 0.00 0.00 175.35 176.78 1ti6 s ILE 25 N -0.28 4.62 -0.14 5.43 1.01 -1.26 -0.97 121.20 129.60 1ti6 s ILE 25 Ca 0.04 1.93 -0.14 0.00 0.00 0.00 0.00 60.65 62.48 1ti6 s ILE 25 Cb -0.06 -4.24 -0.25 0.00 0.01 0.00 0.00 42.46 37.92 1ti6 s ILE 25 CO -0.00 -0.10 0.41 0.40 0.00 0.00 0.00 174.94 175.65 1ti6 h ILE 26 N 5.30 0.87 -2.92 2.92 2.04 -0.99 -3.49 117.51 121.24 1ti6 h ILE 26 Ca -0.25 -2.32 0.04 0.00 1.00 0.00 0.00 64.86 63.33 1ti6 h ILE 26 Cb 1.10 2.52 -0.09 0.00 -0.74 0.00 0.00 36.82 39.62 1ti6 h ILE 26 CO 0.93 0.66 0.25 0.00 0.00 0.00 0.00 178.15 179.99 1ti6 s ARG 27 N -2.47 1.49 -0.05 2.37 1.70 -1.21 -5.02 118.95 115.76 1ti6 s ARG 27 Ca -0.23 -0.72 0.00 0.00 -0.47 0.00 0.00 55.73 54.31 1ti6 s ARG 27 Cb 0.05 0.58 0.02 0.00 -0.57 0.00 0.00 34.95 35.04 1ti6 s ARG 27 CO 0.72 -0.67 -0.03 -1.64 -1.08 0.00 0.00 175.30 172.60 1ti6 s MET 28 N -3.77 0.73 0.25 3.89 -1.94 -1.26 -1.85 119.30 115.35 1ti6 s MET 28 Ca 0.07 -0.04 0.03 0.00 -1.71 0.00 0.00 55.69 54.04 1ti6 s MET 28 Cb -0.03 -0.84 -0.05 0.00 2.01 0.00 0.00 34.83 35.91 1ti6 s MET 28 CO -0.02 -0.14 0.05 0.95 -0.01 0.00 0.00 175.02 175.84 1ti6 s THR 29 N 1.19 0.85 1.04 2.05 -4.23 -0.57 -4.94 115.64 111.02 1ti6 s THR 29 Ca -0.07 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.31 1ti6 s THR 29 Cb -0.14 -2.51 0.21 0.00 1.34 0.00 0.00 72.50 71.40 1ti6 s THR 29 CO -0.02 -0.16 1.08 -2.84 -0.54 0.00 0.00 174.62 172.15 1ti6 s PRO 30 N -3.94 0.12 -0.17 3.99 0.02 -1.26 -1.27 135.00 132.50 1ti6 s PRO 30 Ca 0.33 0.52 -0.07 0.00 0.02 0.00 0.00 61.00 61.80 1ti6 s PRO 30 Cb 0.07 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.85 1ti6 s PRO 30 CO 0.11 -2.94 0.07 -1.64 -0.33 0.00 0.00 177.00 172.28 1ti6 s MET 31 N -4.90 3.83 -0.11 5.54 -1.94 -1.26 -4.45 119.30 116.01 1ti6 s MET 31 Ca 0.66 -0.31 -0.15 0.00 -1.71 0.00 0.00 55.69 54.18 1ti6 s MET 31 Cb -0.19 -3.19 -0.05 0.00 2.01 0.00 0.00 34.83 33.41 1ti6 s MET 31 CO 0.59 0.38 0.35 -0.51 -0.01 0.00 0.00 175.02 175.82 1ti6 s ASP 32 N 0.06 6.57 0.32 3.03 1.01 -1.26 -1.01 116.67 125.38 1ti6 s ASP 32 Ca 0.06 0.67 -0.16 0.00 0.71 0.00 0.00 52.55 53.83 1ti6 s ASP 32 Cb -0.12 -2.21 -0.09 0.00 1.01 0.00 0.00 42.92 41.50 1ti6 s ASP 32 CO 0.01 0.14 0.76 -0.36 0.21 0.00 0.00 175.17 175.93 1ti6 s PHE 33 N 0.09 3.41 -0.50 4.23 2.99 -0.98 -5.00 117.98 122.22 1ti6 s PHE 33 Ca 0.20 1.29 -0.08 0.00 0.00 0.00 0.00 56.93 58.34 1ti6 s PHE 33 Cb -0.14 -2.58 0.13 0.00 0.00 0.00 0.00 43.02 40.42 1ti6 s PHE 33 CO 0.07 0.11 0.36 0.34 -0.00 0.00 0.00 175.22 176.10 1ti6 s ASP 34 N -2.17 5.69 0.18 1.36 -1.08 -1.26 -4.95 116.67 114.44 1ti6 s ASP 34 Ca 0.53 -2.03 0.07 0.00 -0.52 0.00 0.00 52.55 50.60 1ti6 s ASP 34 Cb -0.11 -2.00 0.40 0.00 -1.46 0.00 0.00 42.92 39.75 1ti6 s ASP 34 CO 0.17 -0.65 1.08 0.47 0.52 0.00 0.00 175.17 176.76 1ti6 n ASP 35 N 4.73 0.19 0.10 -0.34 9.92 -1.26 -0.54 116.55 129.35 1ti6 n ASP 35 Ca -0.05 0.44 -0.02 0.00 -0.53 0.00 0.00 54.79 54.63 1ti6 n ASP 35 Cb 0.41 -0.41 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1ti6 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ti6 h ALA 36 N 1.20 0.52 0.00 2.24 0.00 -2.01 -3.38 119.26 117.83 1ti6 h ALA 36 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1ti6 h ALA 36 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ti6 h ALA 36 CO 0.00 0.93 -0.02 1.33 0.00 0.00 0.00 179.25 181.49 1ti6 n VAL 37 N -3.28 0.00 -4.03 0.00 0.24 0.08 -5.03 118.33 106.31 1ti6 n VAL 37 Ca 0.01 -0.36 -0.35 0.00 -2.04 0.00 0.00 64.34 61.60 1ti6 n VAL 37 Cb 0.84 0.98 -0.11 0.00 -1.47 0.00 0.00 33.84 34.08 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 -0.77 5.38 0.49 -1.34 1.01 0.30 -4.96 116.67 116.79 1ti6 s ASP 38 Ca 0.00 -0.01 -0.22 0.00 0.71 0.00 0.00 52.55 53.03 1ti6 s ASP 38 Cb 0.00 -1.92 -0.09 0.00 1.01 0.00 0.00 42.92 41.92 1ti6 s ASP 38 CO 0.00 0.13 0.88 0.00 0.21 0.00 0.00 175.17 176.39 1ti6 n ALA 39 N 3.82 -0.16 -1.27 5.23 0.00 -1.26 -4.58 120.51 122.28 1ti6 n ALA 39 Ca -0.17 0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 1ti6 n ALA 39 Cb 0.52 -2.02 0.10 0.00 0.00 0.00 0.00 19.45 18.05 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 -2.19 1.97 0.76 0.00 0.02 -1.26 -4.96 135.00 129.34 1ti6 s PRO 40 Ca 0.67 1.75 -0.08 0.00 0.02 0.00 0.00 61.00 63.36 1ti6 s PRO 40 Cb -0.50 -1.81 0.09 0.00 0.02 0.00 0.00 34.50 32.29 1ti6 s PRO 40 CO 0.54 -1.97 1.08 -1.12 -0.33 0.00 0.00 177.00 175.21 1ti6 s SER 41 N -2.09 4.47 0.74 2.53 0.01 -1.26 -4.19 113.70 113.91 1ti6 s SER 41 Ca 0.74 0.41 -0.12 0.00 1.31 0.00 0.00 55.95 58.29 1ti6 s SER 41 Cb -0.29 -0.92 0.04 0.00 0.21 0.00 0.00 66.02 65.06 1ti6 s SER 41 CO 0.47 -1.84 1.12 -1.66 0.41 0.00 0.00 173.24 171.74 1ti6 s TRP 42 N -3.39 3.17 0.01 2.43 1.48 -1.26 -4.94 118.94 116.44 1ti6 s TRP 42 Ca 0.63 0.98 0.01 0.00 -1.06 0.00 0.00 56.10 56.66 1ti6 s TRP 42 Cb -0.09 -3.18 -0.01 0.00 -1.16 0.00 0.00 33.47 29.02 1ti6 s TRP 42 CO 0.47 -1.41 -0.03 0.15 -4.06 0.00 0.00 176.95 172.07 1ti6 s LYS 43 N -5.39 0.23 -0.10 3.25 1.02 -1.26 -4.38 119.74 113.11 1ti6 s LYS 43 Ca 0.59 -0.32 0.01 0.00 0.02 0.00 0.00 55.97 56.28 1ti6 s LYS 43 Cb -0.11 -0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.15 1ti6 s LYS 43 CO 0.51 0.01 -0.11 0.42 -0.92 0.00 0.00 175.35 175.26 1ti6 s ILE 44 N -0.66 1.18 -0.26 2.17 1.01 0.59 -4.96 121.20 120.28 1ti6 s ILE 44 Ca -0.06 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 1ti6 s ILE 44 Cb -0.05 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 1ti6 s ILE 44 CO -0.00 0.38 0.18 -1.61 0.00 0.00 0.00 174.94 173.88 1ti6 s GLU 45 N 1.17 4.00 -0.17 2.79 8.01 -1.26 0.60 118.70 133.84 1ti6 s GLU 45 Ca -0.04 -0.30 -0.16 0.00 0.01 0.00 0.00 54.97 54.47 1ti6 s GLU 45 Cb -0.14 -3.61 0.04 0.00 -4.31 0.00 0.00 34.13 26.12 1ti6 s GLU 45 CO -0.03 -0.08 0.46 0.00 0.01 0.00 0.00 175.26 175.63 1ti6 s ALA 46 N 1.46 -1.15 -1.32 5.21 0.00 -0.19 -4.95 121.76 120.82 1ti6 s ALA 46 Ca 0.07 1.27 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 1ti6 s ALA 46 Cb -0.15 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1ti6 s ALA 46 CO 0.08 -0.22 0.28 0.54 0.00 0.00 0.00 175.76 176.44 1ti6 n ARG 47 N 2.73 -0.64 -0.95 0.00 1.74 -1.26 -0.80 116.66 117.49 1ti6 n ARG 47 Ca -0.14 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1ti6 n ARG 47 Cb 0.57 -2.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.15 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 -2.30 0.46 3.34 -0.13 0.00 -1.26 -5.01 105.19 100.30 1ti6 n GLY 48 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.52 1.34 -0.21 1.61 1.02 0.02 -5.13 119.74 117.87 1ti6 s LYS 49 Ca 0.00 -1.64 -0.01 0.00 0.02 0.00 0.00 55.97 54.33 1ti6 s LYS 49 Cb 0.00 -0.88 0.01 0.00 -0.52 0.00 0.00 37.83 36.44 1ti6 s LYS 49 CO 0.00 0.03 -0.12 0.99 -0.92 0.00 0.00 175.35 175.34 1ti6 s THR 50 N -3.19 2.71 -0.19 2.17 2.01 -1.26 -1.03 115.64 116.87 1ti6 s THR 50 Ca 0.25 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 1ti6 s THR 50 Cb 0.03 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 1ti6 s THR 50 CO 0.08 0.45 0.02 -0.36 -0.69 0.00 0.00 174.62 174.11 1ti6 s PHE 51 N 1.37 3.11 -0.04 4.92 0.40 0.20 -4.93 117.98 123.01 1ti6 s PHE 51 Ca 0.05 -0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 56.11 1ti6 s PHE 51 Cb -0.14 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.33 1ti6 s PHE 51 CO -0.08 -0.07 0.10 -0.08 0.70 0.00 0.00 175.22 175.79 1ti6 s THR 52 N 0.70 -0.00 0.82 0.64 -1.32 -1.26 -0.30 115.64 114.92 1ti6 s THR 52 Ca 0.01 0.02 -0.11 0.00 -1.21 0.00 0.00 61.69 60.40 1ti6 s THR 52 Cb -0.14 -0.15 0.08 0.00 -1.51 0.00 0.00 72.50 70.78 1ti6 s THR 52 CO 0.02 0.01 1.09 -2.16 -2.21 0.00 0.00 174.62 171.37 1ti6 s PRO 53 N 0.15 1.87 0.56 7.08 0.04 -1.26 -5.01 135.00 138.43 1ti6 s PRO 53 Ca -0.01 0.96 -0.19 0.00 0.04 0.00 0.00 61.00 61.80 1ti6 s PRO 53 Cb -0.02 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1ti6 s PRO 53 CO -0.00 -1.85 1.15 -2.14 0.04 0.00 0.00 177.00 174.20 1ti6 s PRO 54 N -4.95 3.22 -1.37 0.56 0.02 -1.26 -4.88 135.00 126.34 1ti6 s PRO 54 Ca 0.62 1.68 -0.08 0.00 0.02 0.00 0.00 61.00 63.23 1ti6 s PRO 54 Cb -0.17 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.32 1ti6 s PRO 54 CO 0.56 -0.98 2.89 0.54 -0.33 0.00 0.00 177.00 179.69 1ti6 n ARG 55 N -1.42 3.71 -3.55 5.54 5.12 -1.26 -4.82 116.66 119.98 1ti6 n ARG 55 Ca 0.12 -2.38 -0.08 0.00 -1.93 0.00 0.00 57.85 53.58 1ti6 n ARG 55 Cb 0.51 -2.66 -0.02 0.00 -1.16 0.00 0.00 32.46 29.12 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 1.17 0.97 0.55 5.56 2.20 -1.26 -2.32 119.74 126.61 1ti6 s LYS 56 Ca 0.66 -0.40 0.08 0.00 -0.36 0.00 0.00 55.97 55.95 1ti6 s LYS 56 Cb 0.20 0.41 0.06 0.00 -1.51 0.00 0.00 37.83 37.00 1ti6 s LYS 56 CO -0.07 -0.43 0.66 0.95 -0.36 0.00 0.00 175.35 176.11 1ti6 s THR 57 N -3.24 2.11 0.07 3.43 -4.23 -0.18 -4.99 115.64 108.60 1ti6 s THR 57 Ca 0.06 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1ti6 s THR 57 Cb -0.01 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 1ti6 s THR 57 CO -0.07 0.00 -0.05 -0.94 -0.54 0.00 0.00 174.62 173.02 1ti6 s SER 58 N -4.52 0.80 0.20 3.99 1.04 -1.26 -4.33 113.70 109.61 1ti6 s SER 58 Ca 0.54 -0.98 0.05 0.00 0.48 0.00 0.00 55.95 56.04 1ti6 s SER 58 Cb -0.05 0.14 -0.05 0.00 0.10 0.00 0.00 66.02 66.16 1ti6 s SER 58 CO 0.34 -0.52 -0.07 0.27 0.98 0.00 0.00 173.24 174.24 1ti6 s ILE 59 N -3.64 1.26 0.47 -1.02 -4.36 -1.26 -4.49 121.20 108.16 1ti6 s ILE 59 Ca 0.08 -2.08 -0.04 0.00 -0.26 0.00 0.00 60.65 58.35 1ti6 s ILE 59 Cb 0.06 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.61 1ti6 s ILE 59 CO -0.07 -0.52 0.75 0.00 0.24 0.00 0.00 174.94 175.34 1ti6 s ALA 60 N -3.27 3.47 0.20 2.27 0.00 -0.61 -4.36 121.76 119.46 1ti6 s ALA 60 Ca 0.23 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 1ti6 s ALA 60 Cb 0.03 -2.47 0.23 0.00 0.00 0.00 0.00 23.12 20.91 1ti6 s ALA 60 CO 0.06 -0.34 1.72 -1.35 0.00 0.00 0.00 175.76 175.85 1ti6 h PRO 61 N 0.29 0.28 0.00 0.00 0.11 -1.92 -1.10 132.00 129.66 1ti6 h PRO 61 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ti6 h PRO 61 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ti6 h PRO 61 CO 0.61 0.18 -0.02 0.10 -0.21 0.00 0.00 178.00 178.66 1ti6 h TYR 62 N 0.29 0.00 0.12 0.65 -0.00 -1.92 -1.40 116.97 114.72 1ti6 h TYR 62 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 58.73 58.68 1ti6 h TYR 62 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.08 1ti6 h TYR 62 CO -0.21 0.02 -1.65 1.15 -0.00 0.00 0.00 178.16 177.47 1ti6 h THR 63 N 0.00 1.02 -0.60 -0.90 2.02 -1.60 -2.86 112.91 109.99 1ti6 h THR 63 Ca -0.00 -2.67 0.02 0.00 0.77 0.00 0.00 66.41 64.53 1ti6 h THR 63 Cb 0.23 2.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.30 1ti6 h THR 63 CO 0.00 0.81 0.40 0.00 0.37 0.00 0.00 175.52 177.10 1ti6 h ALA 64 N 0.41 1.64 -0.41 6.16 0.00 -0.19 -2.05 119.26 124.82 1ti6 h ALA 64 Ca -0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ti6 h ALA 64 Cb 2.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1ti6 h ALA 64 CO 0.15 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1ti6 n GLY 65 N -1.45 3.49 0.29 0.00 0.00 -0.80 -4.65 105.19 102.06 1ti6 n GLY 65 Ca 0.07 -0.95 0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 2.83 0.00 -0.47 1.61 3.57 -1.12 -2.49 116.94 120.86 1ti6 h PHE 66 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1ti6 h PHE 66 Cb 1.62 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.33 1ti6 h PHE 66 CO 0.73 0.02 0.31 -0.22 -2.23 0.00 0.00 178.31 176.92 1ti6 h LYS 67 N 0.00 0.52 0.00 1.11 3.64 -1.83 -0.04 116.57 119.98 1ti6 h LYS 67 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1ti6 h LYS 67 Cb 0.05 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1ti6 h LYS 67 CO 0.00 0.35 0.00 -1.13 -2.27 0.00 0.00 179.45 176.40 1ti6 n SER 68 N -4.47 0.61 0.02 4.20 3.41 -0.94 -1.94 113.62 114.51 1ti6 n SER 68 Ca 0.05 0.65 -0.19 0.00 -0.26 0.00 0.00 58.87 59.12 1ti6 n SER 68 Cb 0.13 -0.78 -0.14 0.00 -0.26 0.00 0.00 64.21 63.16 1ti6 n SER 68 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1ti6 h MET 69 N 0.00 0.24 -0.34 4.33 2.86 -1.16 -2.94 114.93 117.92 1ti6 h MET 69 Ca 0.00 -0.41 -0.02 0.00 -2.06 0.00 0.00 59.70 57.21 1ti6 h MET 69 Cb 0.35 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1ti6 h MET 69 CO 0.00 1.10 0.14 0.82 1.06 0.00 0.00 176.91 180.03 1ti6 h ILE 70 N 0.07 1.19 -0.58 -1.22 2.04 -1.12 -2.88 117.51 115.00 1ti6 h ILE 70 Ca -0.37 -0.57 -0.12 0.00 1.00 0.00 0.00 64.86 64.81 1ti6 h ILE 70 Cb 2.04 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.97 1ti6 h ILE 70 CO 0.11 0.20 0.15 -1.22 0.00 0.00 0.00 178.15 177.39 1ti6 n TYR 71 N -4.70 1.98 -1.91 1.37 4.01 -0.82 -4.95 117.16 112.14 1ti6 n TYR 71 Ca -0.01 -0.89 -0.40 0.00 -0.16 0.00 0.00 57.90 56.44 1ti6 n TYR 71 Cb 0.14 -0.55 -0.00 0.00 -0.31 0.00 0.00 39.34 38.61 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 -0.72 6.28 0.00 7.72 0.15 -1.09 -4.90 113.70 121.13 1ti6 s SER 72 Ca 0.46 2.87 0.29 0.00 0.70 0.00 0.00 55.95 60.28 1ti6 s SER 72 Cb 0.36 -2.65 1.64 0.00 -1.71 0.00 0.00 66.02 63.66 1ti6 s SER 72 CO 0.12 -0.89 2.07 -0.90 1.20 0.00 0.00 173.24 174.84 1ti6 n ASP 73 N 0.27 0.00 -1.22 5.45 5.68 -1.26 -2.35 116.55 123.12 1ti6 n ASP 73 Ca 0.02 -0.58 0.11 0.00 -0.50 0.00 0.00 54.79 53.85 1ti6 n ASP 73 Cb 0.41 -0.13 0.27 0.00 -1.14 0.00 0.00 41.12 40.54 1ti6 n ASP 73 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1ti6 n LEU 74 N -1.13 3.69 -4.75 -2.12 4.77 -1.26 -4.94 117.00 111.26 1ti6 n LEU 74 Ca 0.19 -1.83 -0.41 0.00 -0.03 0.00 0.00 56.01 53.92 1ti6 n LEU 74 Cb 0.16 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 1ti6 n LEU 74 CO 0.19 0.88 1.04 -0.60 -1.33 0.00 0.00 177.39 177.58 1ti6 s ARG 75 N -1.15 4.31 -0.10 3.23 6.06 -0.99 -0.18 118.95 130.14 1ti6 s ARG 75 Ca 0.43 2.24 -0.29 0.00 -2.50 0.00 0.00 55.73 55.60 1ti6 s ARG 75 Cb 0.23 -3.11 -0.05 0.00 0.06 0.00 0.00 34.95 32.08 1ti6 s ARG 75 CO 0.31 -0.32 1.68 0.42 -2.50 0.00 0.00 175.30 174.89 1ti6 s ILE 76 N -0.37 3.56 0.21 4.11 1.01 -0.40 -4.73 121.20 124.59 1ti6 s ILE 76 Ca 0.55 0.67 0.02 0.00 0.00 0.00 0.00 60.65 61.89 1ti6 s ILE 76 Cb -0.40 -3.48 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 1ti6 s ILE 76 CO 0.46 -0.11 1.52 1.55 0.00 0.00 0.00 174.94 178.35 1ti6 h PRO 77 N 10.10 0.31 -2.17 2.79 0.14 -1.91 -3.44 132.00 137.84 1ti6 h PRO 77 Ca -0.38 -0.23 0.21 0.00 0.14 0.00 0.00 66.00 65.74 1ti6 h PRO 77 Cb 1.18 0.04 -0.08 0.00 0.14 0.00 0.00 31.00 32.27 1ti6 h PRO 77 CO 0.96 0.85 0.57 1.52 0.14 0.00 0.00 178.00 182.04 1ti6 s TYR 78 N -3.73 -0.09 0.38 1.56 -0.85 -1.26 -0.85 117.35 112.50 1ti6 s TYR 78 Ca -0.05 -0.18 -0.27 0.00 -0.52 0.00 0.00 57.07 56.06 1ti6 s TYR 78 Cb 0.11 0.63 -0.11 0.00 0.38 0.00 0.00 41.96 42.97 1ti6 s TYR 78 CO 0.81 -0.72 1.30 -2.30 -1.52 0.00 0.00 175.55 173.13 1ti6 n PRO 79 N -0.50 2.10 -4.20 -3.49 -0.02 -1.26 -4.65 135.00 123.00 1ti6 n PRO 79 Ca -0.06 0.74 -0.19 0.00 -2.02 0.00 0.00 63.50 61.97 1ti6 n PRO 79 Cb 0.61 -2.39 -0.12 0.00 -0.02 0.00 0.00 33.50 31.58 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 -2.04 0.89 -0.02 -0.52 -1.94 -0.51 -2.04 119.30 113.11 1ti6 s MET 80 Ca 0.57 -1.02 0.03 0.00 -1.71 0.00 0.00 55.69 53.56 1ti6 s MET 80 Cb -0.53 -0.91 -0.00 0.00 2.01 0.00 0.00 34.83 35.39 1ti6 s MET 80 CO 0.61 0.20 -0.11 0.21 -0.01 0.00 0.00 175.02 175.91 1ti6 s LYS 81 N -1.90 1.05 -0.03 2.03 2.20 -0.23 -0.59 119.74 122.28 1ti6 s LYS 81 Ca 0.01 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 1ti6 s LYS 81 Cb -0.09 -0.99 -0.05 0.00 -1.51 0.00 0.00 37.83 35.19 1ti6 s LYS 81 CO 0.03 0.20 1.52 0.50 -0.36 0.00 0.00 175.35 177.23 1ti6 s ARG 82 N -0.06 4.23 0.23 4.03 3.52 0.46 -1.28 118.95 130.07 1ti6 s ARG 82 Ca 0.01 2.07 -0.07 0.00 -0.13 0.00 0.00 55.73 57.61 1ti6 s ARG 82 Cb -0.07 -3.76 0.34 0.00 -1.56 0.00 0.00 34.95 29.90 1ti6 s ARG 82 CO 0.00 -0.72 1.79 0.87 -0.81 0.00 0.00 175.30 176.43 1ti6 h LYS 83 N 8.59 0.62 0.00 5.12 1.57 -1.54 -1.50 116.57 129.44 1ti6 h LYS 83 Ca -0.38 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1ti6 h LYS 83 Cb 1.17 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1ti6 h LYS 83 CO 0.93 0.41 0.00 -1.13 -0.57 0.00 0.00 179.45 179.10 1ti6 n SER 84 N -4.83 0.00 -4.45 0.86 3.41 -1.26 -4.71 113.62 102.63 1ti6 n SER 84 Ca 0.11 -0.90 -0.39 0.00 -0.26 0.00 0.00 58.87 57.43 1ti6 n SER 84 Cb 0.26 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.10 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 3.19 -0.30 7.33 5.36 -0.57 -4.19 117.98 126.79 1ti6 s PHE 85 Ca 0.27 -0.52 -0.00 0.00 -0.96 0.00 0.00 56.93 55.72 1ti6 s PHE 85 Cb 0.12 -2.38 0.06 0.00 -0.34 0.00 0.00 43.02 40.48 1ti6 s PHE 85 CO 0.21 -0.45 -0.00 0.34 -1.46 0.00 0.00 175.22 173.86 1ti6 s ASP 86 N 1.63 4.81 0.31 6.13 -1.08 -0.30 -4.86 116.67 123.31 1ti6 s ASP 86 Ca 0.05 -1.46 0.06 0.00 -0.52 0.00 0.00 52.55 50.68 1ti6 s ASP 86 Cb -0.17 -1.68 0.72 0.00 -1.46 0.00 0.00 42.92 40.33 1ti6 s ASP 86 CO 0.07 -0.28 1.80 -0.65 0.52 0.00 0.00 175.17 176.63 1ti6 h PRO 87 N 7.91 0.77 -0.57 4.34 0.11 -1.97 -1.60 132.00 141.00 1ti6 h PRO 87 Ca -0.18 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1ti6 h PRO 87 Cb 1.05 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1ti6 h PRO 87 CO 0.53 0.51 0.00 0.09 -0.21 0.00 0.00 178.00 178.92 1ti6 n ASN 88 N -4.70 4.52 0.00 -2.05 4.13 -1.26 -4.96 115.26 110.94 1ti6 n ASN 88 Ca 0.22 -2.48 0.00 0.00 1.68 0.00 0.00 54.58 53.99 1ti6 n ASN 88 Cb 0.52 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 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 0.86 4.12 3.64 7.41 0.00 -0.60 -5.10 105.19 115.53 1ti6 n GLY 89 Ca 0.24 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 3.84 4.02 0.19 1.61 0.41 -1.25 -4.82 118.70 122.70 1ti6 s GLU 90 Ca 0.00 1.51 0.24 0.00 -0.41 0.00 0.00 54.97 56.31 1ti6 s GLU 90 Cb 0.00 -3.87 0.39 0.00 -1.78 0.00 0.00 34.13 28.87 1ti6 s GLU 90 CO 0.00 -0.99 1.41 0.00 -0.49 0.00 0.00 175.26 175.18 1ti6 h ARG 91 N 9.18 0.00 -7.00 1.61 3.08 -1.82 -0.79 114.38 118.64 1ti6 h ARG 91 Ca -0.28 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.19 1ti6 h ARG 91 Cb 1.11 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.10 1ti6 h ARG 91 CO 1.00 0.00 -0.95 0.09 -1.07 0.00 0.00 179.97 179.04 1ti6 n ASN 92 N -2.35 -2.78 -0.25 7.04 3.02 -1.26 -4.50 115.26 114.19 1ti6 n ASN 92 Ca 0.03 -1.24 0.13 0.00 -0.03 0.00 0.00 54.58 53.48 1ti6 n ASN 92 Cb 0.47 -1.49 0.41 0.00 -0.61 0.00 0.00 39.78 38.55 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 -2.20 0.60 0.00 3.52 0.11 -1.90 0.41 132.00 132.55 1ti6 h PRO 93 Ca -0.67 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.41 1ti6 h PRO 93 Cb 1.33 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ti6 h PRO 93 CO 0.53 0.40 0.00 0.00 -0.21 0.00 0.00 178.00 178.72 1ti6 n GLN 94 N -4.55 0.01 -0.21 1.05 0.00 -1.26 -2.18 117.38 110.25 1ti6 n GLN 94 Ca 0.17 0.34 0.12 0.00 0.00 0.00 0.00 57.00 57.63 1ti6 n GLN 94 Cb 0.50 -1.50 0.23 0.00 0.00 0.00 0.00 30.24 29.47 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 -1.49 3.50 -4.69 2.61 4.77 0.13 -4.85 117.00 116.98 1ti6 n LEU 95 Ca 0.02 -1.53 -0.42 0.00 -0.03 0.00 0.00 56.01 54.05 1ti6 n LEU 95 Cb 0.10 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1ti6 n LEU 95 CO 0.08 0.76 1.21 -0.13 -1.33 0.00 0.00 177.39 177.98 1ti6 s ARG 96 N -1.45 4.25 0.00 3.23 0.52 -0.93 -1.80 118.95 122.76 1ti6 s ARG 96 Ca 0.40 2.14 0.00 0.00 -0.52 0.00 0.00 55.73 57.75 1ti6 s ARG 96 Cb 0.23 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 32.15 1ti6 s ARG 96 CO 0.32 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.41 1ti6 n GLY 97 N 3.79 0.57 0.36 -3.53 0.00 -1.22 -4.77 105.19 100.39 1ti6 n GLY 97 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 1.41 -0.53 4.61 0.00 -1.65 -0.86 119.26 122.25 1ti6 h ALA 98 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ti6 h ALA 98 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1ti6 h ALA 98 CO 0.00 0.51 0.33 0.78 0.00 0.00 0.00 179.25 180.88 1ti6 h GLY 99 N 1.15 0.74 0.94 0.00 0.00 -1.82 -2.07 103.07 102.00 1ti6 h GLY 99 Ca 0.34 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.44 1ti6 h GLY 99 CO -0.09 0.24 0.48 -2.00 0.00 0.00 0.00 176.54 175.17 1ti6 h LEU 100 N 0.67 0.82 -1.14 3.11 5.85 -1.50 0.32 115.31 123.44 1ti6 h LEU 100 Ca 0.20 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1ti6 h LEU 100 Cb -0.03 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1ti6 h LEU 100 CO -0.07 0.58 0.00 0.28 -0.34 0.00 0.00 178.44 178.89 1ti6 h SER 101 N 0.97 0.00 -0.01 1.25 0.02 -0.51 -1.40 113.55 113.86 1ti6 h SER 101 Ca 0.29 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1ti6 h SER 101 Cb -0.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1ti6 h SER 101 CO -0.09 0.00 -0.21 2.29 -1.14 0.00 0.00 176.83 177.69 1ti6 n LYS 102 N -2.30 1.43 -3.65 3.45 2.85 -0.47 -4.14 118.16 115.32 1ti6 n LYS 102 Ca 0.00 -2.89 -0.27 0.00 -1.05 0.00 0.00 58.31 54.10 1ti6 n LYS 102 Cb 0.13 -1.56 0.02 0.00 -0.65 0.00 0.00 35.03 32.98 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 -1.29 -4.83 -2.99 -1.58 3.00 -0.53 -4.91 117.38 104.24 1ti6 n GLN 103 Ca 0.17 0.60 -0.16 0.00 -0.01 0.00 0.00 57.00 57.61 1ti6 n GLN 103 Cb 0.67 -5.44 -0.00 0.00 0.00 0.00 0.00 30.24 25.47 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 -2.64 -0.96 -0.14 1.08 -0.08 0.99 -4.99 116.55 109.81 1ti6 n ASP 104 Ca 0.01 -3.10 -0.05 0.00 -1.51 0.00 0.00 54.79 50.14 1ti6 n ASP 104 Cb 0.54 0.48 0.02 0.00 2.34 0.00 0.00 41.12 44.50 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 3.62 -0.12 -0.28 -0.67 0.11 -1.89 -2.71 132.00 130.06 1ti6 h PRO 105 Ca -0.01 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1ti6 h PRO 105 Cb 0.98 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1ti6 h PRO 105 CO 0.38 -0.08 0.18 -1.49 -0.21 0.00 0.00 178.00 176.78 1ti6 h TRP 106 N -0.12 0.31 0.00 0.65 4.06 -1.96 -2.53 115.95 116.36 1ti6 h TRP 106 Ca 0.22 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.17 1ti6 h TRP 106 Cb 0.46 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1ti6 h TRP 106 CO -0.48 0.19 0.00 0.66 -3.56 0.00 0.00 178.44 175.25 1ti6 h SER 107 N 0.33 0.00 1.40 -3.49 4.64 -1.88 -1.63 113.55 112.92 1ti6 h SER 107 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1ti6 h SER 107 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1ti6 h SER 107 CO -0.02 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.38 1ti6 h ASP 108 N 0.00 0.00 -2.25 4.97 5.19 -1.59 -3.47 116.42 119.27 1ti6 h ASP 108 Ca 0.00 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.83 1ti6 h ASP 108 Cb 0.04 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.43 1ti6 h ASP 108 CO 0.00 0.00 -0.70 -0.31 -3.12 0.00 0.00 179.24 175.11 1ti6 s TYR 109 N -3.31 2.51 0.06 4.55 1.51 -0.62 -1.30 117.35 120.76 1ti6 s TYR 109 Ca 0.06 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 1ti6 s TYR 109 Cb 0.09 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.80 1ti6 s TYR 109 CO 0.57 0.66 -0.12 -1.83 -1.11 0.00 0.00 175.55 173.72 1ti6 s GLU 110 N -3.56 0.74 0.30 -0.62 -1.05 -0.40 -4.88 118.70 109.22 1ti6 s GLU 110 Ca 0.30 -0.88 -0.29 0.00 -0.15 0.00 0.00 54.97 53.96 1ti6 s GLU 110 Cb -0.06 -0.68 -0.09 0.00 -0.44 0.00 0.00 34.13 32.86 1ti6 s GLU 110 CO 0.17 0.15 1.07 0.50 0.95 0.00 0.00 175.26 178.10 1ti6 s ARG 111 N -1.65 4.59 0.08 -4.83 3.52 -1.26 -1.06 118.95 118.34 1ti6 s ARG 111 Ca -0.04 1.71 -0.03 0.00 -0.13 0.00 0.00 55.73 57.24 1ti6 s ARG 111 Cb -0.10 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.17 1ti6 s ARG 111 CO 0.02 0.19 0.05 0.96 -0.81 0.00 0.00 175.30 175.71 1ti6 s ILE 112 N -1.25 0.17 0.71 4.11 -4.36 -0.87 -4.88 121.20 114.82 1ti6 s ILE 112 Ca 0.46 -1.69 -0.11 0.00 -0.26 0.00 0.00 60.65 59.05 1ti6 s ILE 112 Cb -0.29 -1.63 0.01 0.00 1.25 0.00 0.00 42.46 41.80 1ti6 s ILE 112 CO 0.38 -0.76 1.08 -0.94 0.24 0.00 0.00 174.94 174.93 1ti6 s SER 113 N -2.94 5.39 0.20 4.36 1.04 -1.26 -3.99 113.70 116.49 1ti6 s SER 113 Ca 0.11 1.33 -0.09 0.00 0.48 0.00 0.00 55.95 57.78 1ti6 s SER 113 Cb 0.07 -2.18 0.12 0.00 0.10 0.00 0.00 66.02 64.13 1ti6 s SER 113 CO -0.07 -1.40 1.72 -0.50 0.98 0.00 0.00 173.24 173.97 1ti6 h TRP 114 N -0.69 1.18 -0.51 5.02 4.06 -1.98 -0.47 115.95 122.56 1ti6 h TRP 114 Ca -0.45 -0.13 0.01 0.00 2.06 0.00 0.00 58.89 60.38 1ti6 h TRP 114 Cb 1.23 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 29.03 1ti6 h TRP 114 CO 0.55 0.95 0.32 0.22 -3.56 0.00 0.00 178.44 176.92 1ti6 h ASP 115 N 1.07 0.55 -0.03 -3.49 3.58 -1.99 -0.77 116.42 115.34 1ti6 h ASP 115 Ca 0.23 -0.01 -0.19 0.00 0.42 0.00 0.00 57.03 57.48 1ti6 h ASP 115 Cb 0.35 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1ti6 h ASP 115 CO -0.00 0.39 -0.67 -0.08 -2.88 0.00 0.00 179.24 176.00 1ti6 h GLU 116 N 0.66 0.66 -0.19 0.28 4.81 -1.89 -1.99 114.58 116.93 1ti6 h GLU 116 Ca 0.19 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1ti6 h GLU 116 Cb -0.04 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1ti6 h GLU 116 CO -0.06 1.10 0.08 0.00 -0.73 0.00 0.00 179.01 179.40 1ti6 h ALA 117 N 0.77 0.24 -0.19 2.92 0.00 -0.89 -1.73 119.26 120.39 1ti6 h ALA 117 Ca -0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1ti6 h ALA 117 Cb 1.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1ti6 h ALA 117 CO 0.13 -0.17 -0.30 1.79 0.00 0.00 0.00 179.25 180.70 1ti6 h THR 118 N 0.15 1.27 -0.62 0.00 1.35 -1.17 -2.00 112.91 111.89 1ti6 h THR 118 Ca 0.06 -1.32 -0.07 0.00 -0.55 0.00 0.00 66.41 64.53 1ti6 h THR 118 Cb 0.17 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.03 1ti6 h THR 118 CO -0.01 0.41 0.13 0.44 -0.25 0.00 0.00 175.52 176.25 1ti6 h ASP 119 N 0.33 0.96 -0.36 5.36 3.32 -1.17 -0.01 116.42 124.84 1ti6 h ASP 119 Ca 0.04 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1ti6 h ASP 119 Cb 0.70 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1ti6 h ASP 119 CO 0.05 0.96 0.12 0.40 -1.72 0.00 0.00 179.24 179.05 1ti6 h ILE 120 N 0.92 1.21 -0.46 0.35 2.04 -1.05 -1.17 117.51 119.35 1ti6 h ILE 120 Ca 0.19 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1ti6 h ILE 120 Cb 0.39 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1ti6 h ILE 120 CO 0.01 0.23 0.12 0.58 0.00 0.00 0.00 178.15 179.09 1ti6 h VAL 121 N 0.43 1.23 -0.74 1.67 2.07 -1.18 -2.40 116.25 117.33 1ti6 h VAL 121 Ca 0.12 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1ti6 h VAL 121 Cb 0.24 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1ti6 h VAL 121 CO -0.00 0.28 0.44 0.58 0.02 0.00 0.00 177.57 178.89 1ti6 h VAL 122 N 0.61 1.21 -0.69 2.57 2.07 -0.88 0.16 116.25 121.31 1ti6 h VAL 122 Ca 0.15 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1ti6 h VAL 122 Cb 0.30 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1ti6 h VAL 122 CO -0.00 0.22 0.38 0.00 0.02 0.00 0.00 177.57 178.19 1ti6 h ALA 123 N 1.23 1.38 -0.16 1.67 0.00 -1.06 0.30 119.26 122.62 1ti6 h ALA 123 Ca 0.26 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1ti6 h ALA 123 Cb -0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1ti6 h ALA 123 CO -0.05 0.52 -0.20 0.93 0.00 0.00 0.00 179.25 180.45 1ti6 h GLU 124 N 0.95 0.41 -0.06 0.00 4.39 -0.88 -2.03 114.58 117.36 1ti6 h GLU 124 Ca 0.24 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.73 1ti6 h GLU 124 Cb 0.02 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1ti6 h GLU 124 CO -0.04 0.81 -0.04 0.82 -1.16 0.00 0.00 179.01 179.39 1ti6 h ILE 125 N 0.04 0.86 -0.59 3.13 2.04 -0.57 -1.30 117.51 121.12 1ti6 h ILE 125 Ca 0.02 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 1ti6 h ILE 125 Cb 0.75 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1ti6 h ILE 125 CO 0.05 0.00 0.04 0.78 0.00 0.00 0.00 178.15 179.02 1ti6 h ASN 126 N -0.05 0.96 -0.08 1.72 2.35 -0.99 -0.81 115.58 118.67 1ti6 h ASN 126 Ca 0.04 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1ti6 h ASN 126 Cb 0.11 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1ti6 h ASN 126 CO -0.09 0.99 0.03 -0.09 -1.65 0.00 0.00 177.43 176.62 1ti6 h ARG 127 N 0.93 0.13 -0.61 0.81 2.43 -1.19 -2.34 114.38 114.53 1ti6 h ARG 127 Ca 0.18 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1ti6 h ARG 127 Cb 0.48 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1ti6 h ARG 127 CO 0.02 0.27 0.12 0.82 -1.51 0.00 0.00 179.97 179.69 1ti6 h ILE 128 N -0.05 1.26 -0.77 1.20 2.04 -1.16 -1.86 117.51 118.17 1ti6 h ILE 128 Ca 0.03 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1ti6 h ILE 128 Cb 0.20 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1ti6 h ILE 128 CO -0.00 0.36 0.43 0.11 0.00 0.00 0.00 178.15 179.05 1ti6 h LYS 129 N 0.91 1.07 0.00 2.37 1.57 -1.08 0.34 116.57 121.76 1ti6 h LYS 129 Ca 0.19 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1ti6 h LYS 129 Cb 0.40 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1ti6 h LYS 129 CO 0.01 0.79 0.00 0.45 -0.57 0.00 0.00 179.45 180.13 1ti6 h HIS 130 N 1.07 0.00 0.03 -1.35 3.86 -1.30 -1.17 115.15 116.28 1ti6 h HIS 130 Ca 0.27 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 59.11 1ti6 h HIS 130 Cb 0.03 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.44 1ti6 h HIS 130 CO 0.00 0.00 -2.32 0.00 0.86 0.00 0.00 177.93 176.47 1ti6 n ALA 131 N -2.06 1.34 0.00 2.45 0.00 -0.71 -4.78 120.51 116.75 1ti6 n ALA 131 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1ti6 n ALA 131 Cb 0.47 -0.27 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 -3.21 0.00 0.00 0.00 4.01 0.11 -5.08 117.16 112.99 1ti6 n TYR 132 Ca -0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 1ti6 n TYR 132 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 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 2.20 2.26 0.29 2.72 0.00 -0.44 -4.62 105.19 107.61 1ti6 n GLY 133 Ca 0.00 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 44.18 1ti6 n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ti6 h PRO 134 N 0.00 0.00 0.00 1.61 0.13 -1.85 -2.15 132.00 129.73 1ti6 h PRO 134 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ti6 h PRO 134 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ti6 h PRO 134 CO 0.00 0.00 -0.01 0.66 -0.23 0.00 0.00 178.00 178.42 1ti6 h SER 135 N 0.00 0.00 0.55 1.44 4.64 -1.86 -1.12 113.55 117.20 1ti6 h SER 135 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ti6 h SER 135 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1ti6 h SER 135 CO 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1ti6 n ALA 136 N -2.11 2.12 -3.00 5.18 0.00 -0.81 -4.18 120.51 117.72 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 0.17 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.72 5.18 0.18 0.00 1.01 -0.42 -0.71 121.20 123.73 1ti6 s ILE 137 Ca 0.18 -1.19 -0.22 0.00 0.00 0.00 0.00 60.65 59.42 1ti6 s ILE 137 Cb 0.15 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 1ti6 s ILE 137 CO 0.37 -0.65 0.72 -0.22 0.00 0.00 0.00 174.94 175.16 1ti6 s LEU 138 N 1.62 4.46 -0.06 2.97 2.96 0.41 -0.24 118.68 130.80 1ti6 s LEU 138 Ca 0.04 1.48 -0.21 0.00 -0.22 0.00 0.00 54.13 55.22 1ti6 s LEU 138 Cb -0.26 -3.39 0.04 0.00 0.50 0.00 0.00 46.19 43.09 1ti6 s LEU 138 CO 0.05 0.13 0.47 -0.55 -1.32 0.00 0.00 176.35 175.14 1ti6 s SER 139 N -1.39 -0.41 -0.29 3.68 0.15 -0.42 0.11 113.70 115.12 1ti6 s SER 139 Ca 0.38 0.47 -0.19 0.00 0.70 0.00 0.00 55.95 57.31 1ti6 s SER 139 Cb -0.19 0.52 0.14 0.00 -1.71 0.00 0.00 66.02 64.78 1ti6 s SER 139 CO 0.23 -0.46 1.03 0.28 1.20 0.00 0.00 173.24 175.52 1ti6 s THR 140 N -1.00 0.00 0.00 6.45 -1.32 -1.16 -2.41 115.64 116.21 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 -0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1ti6 s THR 140 CO 0.06 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.66 1ti6 n PRO 141 N 3.10 1.76 -3.38 7.08 -0.04 -1.26 -2.45 135.00 139.81 1ti6 n PRO 141 Ca -0.16 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 1ti6 n PRO 141 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1ti6 n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ti6 n SER 142 N 0.00 -1.12 -0.06 3.54 2.88 -1.26 -4.78 113.62 112.83 1ti6 n SER 142 Ca 0.00 -2.43 -0.07 0.00 -1.33 0.00 0.00 58.87 55.04 1ti6 n SER 142 Cb 0.00 2.06 -0.01 0.00 -0.75 0.00 0.00 64.21 65.50 1ti6 n SER 142 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ti6 h SER 143 N 1.51 -0.41 -1.41 -3.46 0.02 -1.99 -3.45 113.55 104.36 1ti6 h SER 143 Ca -0.21 0.10 -0.49 0.00 -0.84 0.00 0.00 61.79 60.34 1ti6 h SER 143 Cb 0.91 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 1ti6 h SER 143 CO 0.29 -0.16 -0.35 -1.00 -1.14 0.00 0.00 176.83 174.47 1ti6 s HIS 144 N -6.18 2.58 0.13 3.45 3.76 -1.26 -5.09 115.29 112.69 1ti6 s HIS 144 Ca -0.14 -0.52 -0.24 0.00 -0.15 0.00 0.00 55.06 54.01 1ti6 s HIS 144 Cb 0.12 -2.17 0.07 0.00 1.11 0.00 0.00 32.58 31.71 1ti6 s HIS 144 CO 0.69 -0.21 0.68 -1.58 -0.85 0.00 0.00 174.74 173.47 1ti6 s HIS 145 N -2.50 -0.46 0.44 1.40 5.04 -1.26 -5.05 115.29 112.90 1ti6 s HIS 145 Ca 0.48 0.25 -0.24 0.00 -1.54 0.00 0.00 55.06 54.00 1ti6 s HIS 145 Cb -0.04 0.57 -0.09 0.00 0.04 0.00 0.00 32.58 33.06 1ti6 s HIS 145 CO 0.28 -0.81 1.20 -1.33 -2.34 0.00 0.00 174.74 171.74 1ti6 n MET 146 N -0.36 1.71 -2.12 2.88 2.81 -1.26 -4.85 117.12 115.92 1ti6 n MET 146 Ca -0.14 0.61 -0.38 0.00 -1.81 0.00 0.00 57.70 55.98 1ti6 n MET 146 Cb 0.64 -2.31 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 1ti6 n MET 146 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1ti6 s TRP 147 N -1.24 2.76 0.00 2.03 -0.11 -1.26 -4.77 118.94 116.34 1ti6 s TRP 147 Ca 0.63 1.48 0.00 0.00 1.22 0.00 0.00 56.10 59.44 1ti6 s TRP 147 Cb -0.50 -3.52 0.00 0.00 -1.50 0.00 0.00 33.47 27.94 1ti6 s TRP 147 CO 0.56 -1.89 0.00 0.41 -4.62 0.00 0.00 176.95 171.41 1ti6 n GLY 148 N 0.56 3.45 0.14 5.86 0.00 -1.26 -4.74 105.19 109.21 1ti6 n GLY 148 Ca 0.07 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 0.37 -0.60 1.61 4.21 -1.59 -1.57 115.58 118.01 1ti6 h ASN 149 Ca 0.00 -0.20 -0.08 0.00 1.21 0.00 0.00 56.30 57.23 1ti6 h ASN 149 Cb 0.00 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.08 1ti6 h ASN 149 CO 0.00 0.47 0.04 0.58 -1.29 0.00 0.00 177.43 177.23 1ti6 h VAL 150 N 0.25 1.26 -0.01 2.81 2.07 -1.95 -3.04 116.25 117.64 1ti6 h VAL 150 Ca 0.08 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1ti6 h VAL 150 Cb 0.23 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1ti6 h VAL 150 CO -0.00 0.40 -0.04 0.61 0.02 0.00 0.00 177.57 178.55 1ti6 n GLY 151 N -0.47 -0.14 3.73 2.17 0.00 -1.22 -3.07 105.19 106.18 1ti6 n GLY 151 Ca 0.03 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.08 2.14 0.47 1.61 5.04 -0.59 -4.49 117.35 119.44 1ti6 s TYR 152 Ca 0.36 1.57 0.21 0.00 -2.44 0.00 0.00 57.07 56.78 1ti6 s TYR 152 Cb 0.21 -3.48 1.22 0.00 0.35 0.00 0.00 41.96 40.25 1ti6 s TYR 152 CO 0.37 -2.53 1.91 0.07 -1.34 0.00 0.00 175.55 174.02 1ti6 h ARG 153 N -0.01 0.24 0.00 4.97 0.11 -1.90 0.19 114.38 117.98 1ti6 h ARG 153 Ca -0.48 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1ti6 h ARG 153 Cb 1.30 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1ti6 h ARG 153 CO 0.51 0.16 0.00 0.72 0.10 0.00 0.00 179.97 181.46 1ti6 n HIS 154 N -4.43 0.72 0.00 4.08 8.25 -1.26 -2.59 115.22 119.99 1ti6 n HIS 154 Ca 0.16 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 1ti6 n HIS 154 Cb 0.69 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1ti6 n HIS 154 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ti6 n SER 155 N -2.15 0.00 0.10 0.41 2.88 0.61 -4.53 113.62 110.93 1ti6 n SER 155 Ca 0.03 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.44 1ti6 n SER 155 Cb 0.26 -0.01 -0.08 0.00 -0.75 0.00 0.00 64.21 63.63 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 0.93 -0.10 2.46 2.02 -1.35 -1.40 112.91 115.47 1ti6 h THR 156 Ca 0.00 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 66.87 1ti6 h THR 156 Cb 0.00 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1ti6 h THR 156 CO 0.00 0.08 -0.23 0.22 0.37 0.00 0.00 175.52 175.96 1ti6 h TYR 157 N -0.37 -0.62 -0.66 3.16 3.20 -1.71 -2.22 116.97 117.75 1ti6 h TYR 157 Ca -0.02 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1ti6 h TYR 157 Cb 0.29 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1ti6 h TYR 157 CO -0.02 -0.31 0.14 0.74 -1.64 0.00 0.00 178.16 177.06 1ti6 h PHE 158 N -0.31 1.12 -0.85 -3.82 0.05 -1.54 -0.14 116.94 111.45 1ti6 h PHE 158 Ca 0.09 -0.14 0.03 0.00 3.82 0.00 0.00 57.97 61.78 1ti6 h PHE 158 Cb 0.44 -0.31 -0.05 0.00 2.00 0.00 0.00 35.95 38.03 1ti6 h PHE 158 CO -0.32 0.93 0.55 -0.09 -0.18 0.00 0.00 178.31 179.20 1ti6 h ARG 159 N 1.01 1.04 0.03 1.51 2.43 -0.88 -0.92 114.38 118.60 1ti6 h ARG 159 Ca 0.21 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1ti6 h ARG 159 Cb 0.39 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1ti6 h ARG 159 CO 0.01 0.68 -0.02 0.35 -1.51 0.00 0.00 179.97 179.48 1ti6 h PHE 160 N 1.07 -0.04 -0.95 2.20 3.57 -1.24 -3.32 116.94 118.22 1ti6 h PHE 160 Ca 0.34 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.93 1ti6 h PHE 160 Cb 0.01 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.70 1ti6 h PHE 160 CO -0.02 0.61 0.61 0.52 -2.23 0.00 0.00 178.31 177.80 1ti6 h MET 161 N -0.92 0.98 0.00 1.11 2.86 -0.99 -0.33 114.93 117.64 1ti6 h MET 161 Ca -0.00 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1ti6 h MET 161 Cb 0.68 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1ti6 h MET 161 CO 0.01 0.65 -0.03 -0.91 1.06 0.00 0.00 176.91 177.68 1ti6 h ASN 162 N 1.01 0.00 0.24 1.22 -0.26 -1.30 -0.06 115.58 116.44 1ti6 h ASN 162 Ca 0.43 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.17 1ti6 h ASN 162 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1ti6 h ASN 162 CO -0.19 0.03 -0.56 0.23 -1.06 0.00 0.00 177.43 175.89 1ti6 n MET 163 N -3.42 0.37 -0.04 0.81 2.81 -0.17 -4.61 117.12 112.87 1ti6 n MET 163 Ca -0.02 -0.26 -0.09 0.00 -1.81 0.00 0.00 57.70 55.52 1ti6 n MET 163 Cb 0.15 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 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 -1.09 0.27 0.00 0.03 0.00 -0.36 -5.11 117.12 110.87 1ti6 n MET 164 Ca 0.07 0.11 0.00 0.00 -0.00 0.00 0.00 57.70 57.89 1ti6 n MET 164 Cb 0.36 -0.97 0.00 0.00 0.00 0.00 0.00 33.22 32.60 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 2.34 2.93 3.59 -5.12 0.00 -0.18 -4.90 105.19 103.85 1ti6 n GLY 165 Ca -0.16 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.45 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 3.99 -0.02 -0.27 1.61 -0.12 -1.25 -4.81 117.98 117.11 1ti6 s PHE 166 Ca 0.00 -0.01 -0.10 0.00 -0.05 0.00 0.00 56.93 56.76 1ti6 s PHE 166 Cb 0.00 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 1ti6 s PHE 166 CO 0.00 -0.11 0.16 0.99 -0.05 0.00 0.00 175.22 176.21 1ti6 s THR 167 N -2.18 5.10 -0.02 -4.49 2.01 0.67 -4.43 115.64 112.30 1ti6 s THR 167 Ca 0.14 0.10 -0.18 0.00 0.31 0.00 0.00 61.69 62.05 1ti6 s THR 167 Cb 0.05 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 1ti6 s THR 167 CO -0.05 0.28 0.51 -0.47 -0.69 0.00 0.00 174.62 174.20 1ti6 s TYR 168 N 1.65 3.66 -1.19 4.92 5.04 -1.26 -1.30 117.35 128.88 1ti6 s TYR 168 Ca 0.07 1.07 -0.13 0.00 -2.44 0.00 0.00 57.07 55.64 1ti6 s TYR 168 Cb -0.16 -2.50 0.19 0.00 0.35 0.00 0.00 41.96 39.85 1ti6 s TYR 168 CO 0.09 0.41 1.38 0.00 -1.34 0.00 0.00 175.55 176.09 1ti6 s ALA 169 N -0.31 4.12 0.31 3.97 0.00 -1.01 -1.83 121.76 127.01 1ti6 s ALA 169 Ca 0.27 -3.44 -0.28 0.00 0.00 0.00 0.00 51.96 48.51 1ti6 s ALA 169 Cb -0.17 -4.04 -0.13 0.00 0.00 0.00 0.00 23.12 18.78 1ti6 s ALA 169 CO 0.14 -2.68 1.18 -3.47 0.00 0.00 0.00 175.76 170.93 1ti6 n ASP 170 N 5.18 2.14 -4.75 0.00 -0.08 -0.79 -4.25 116.55 114.01 1ti6 n ASP 170 Ca 0.35 1.19 -0.41 0.00 -1.51 0.00 0.00 54.79 54.41 1ti6 n ASP 170 Cb 0.42 -1.40 -0.05 0.00 2.34 0.00 0.00 41.12 42.44 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 -1.00 3.71 0.56 -0.67 3.76 -1.26 -1.93 115.29 118.46 1ti6 s HIS 171 Ca 0.58 1.73 -0.17 0.00 -0.15 0.00 0.00 55.06 57.04 1ti6 s HIS 171 Cb -0.63 -3.18 -0.05 0.00 1.11 0.00 0.00 32.58 29.82 1ti6 s HIS 171 CO 0.60 -0.24 1.06 0.54 -0.85 0.00 0.00 174.74 175.85 1ti6 s ASN 172 N -0.59 5.93 -1.10 1.40 4.22 -1.26 -3.58 114.94 119.96 1ti6 s ASN 172 Ca 0.46 1.88 -0.10 0.00 -2.14 0.00 0.00 52.86 52.96 1ti6 s ASN 172 Cb -0.29 -2.55 -0.07 0.00 1.28 0.00 0.00 41.25 39.63 1ti6 s ASN 172 CO 0.35 -1.07 2.29 -0.81 -2.04 0.00 0.00 177.10 175.82 1ti6 n PRO 173 N -1.67 2.43 -0.37 3.55 -0.04 -1.26 -4.73 135.00 132.92 1ti6 n PRO 173 Ca 0.09 -1.78 -0.09 0.00 -0.04 0.00 0.00 63.50 61.68 1ti6 n PRO 173 Cb 0.53 -2.67 -0.07 0.00 -0.04 0.00 0.00 33.50 31.25 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 6.22 -1.94 -0.89 3.54 3.04 -1.98 0.39 116.42 124.80 1ti6 h ASP 174 Ca 0.58 0.31 0.11 0.00 -3.24 0.00 0.00 57.03 54.79 1ti6 h ASP 174 Cb 0.30 0.88 -0.07 0.00 -1.04 0.00 0.00 39.33 39.40 1ti6 h ASP 174 CO 1.64 -0.27 0.57 0.28 -2.04 0.00 0.00 179.24 179.42 1ti6 h SER 175 N -0.06 0.77 -0.01 4.15 0.02 -2.00 -3.15 113.55 113.27 1ti6 h SER 175 Ca 0.19 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1ti6 h SER 175 Cb 0.48 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1ti6 h SER 175 CO -0.89 0.44 -0.73 0.79 -1.14 0.00 0.00 176.83 175.30 1ti6 n TRP 176 N -4.54 0.00 0.00 3.45 8.01 -0.21 -4.53 117.44 119.62 1ti6 n TRP 176 Ca 0.16 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.35 1ti6 n TRP 176 Cb 0.34 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.64 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 -0.83 0.00 -0.27 -0.99 -0.58 0.12 0.06 120.64 118.15 1ti6 n GLU 177 Ca 0.06 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.86 1ti6 n GLU 177 Cb 0.37 0.00 0.20 0.00 -0.57 0.00 0.00 31.44 31.44 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 1.22 1.40 0.62 0.00 -0.69 0.49 103.07 106.11 1ti6 h GLY 178 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 1ti6 h GLY 178 CO 0.00 -0.08 -0.33 1.49 0.00 0.00 0.00 176.54 177.62 1ti6 h TRP 179 N 0.50 0.79 0.21 5.60 4.06 -0.63 0.23 115.95 126.71 1ti6 h TRP 179 Ca 0.43 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 61.16 1ti6 h TRP 179 Cb 0.63 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.62 1ti6 h TRP 179 CO -0.14 0.92 -0.10 1.25 -3.56 0.00 0.00 178.44 176.81 1ti6 h HIS 180 N 0.57 -0.26 0.00 0.49 2.76 -0.16 0.15 115.15 118.70 1ti6 h HIS 180 Ca 0.06 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1ti6 h HIS 180 Cb 0.84 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.89 1ti6 h HIS 180 CO 0.04 0.14 -0.22 0.91 -1.30 0.00 0.00 177.93 177.50 1ti6 n TRP 181 N -4.98 0.09 0.03 5.26 7.02 0.08 -4.22 117.44 120.72 1ti6 n TRP 181 Ca -0.08 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.43 1ti6 n TRP 181 Cb 0.26 -0.45 0.00 0.00 -2.42 0.00 0.00 31.31 28.70 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 1.48 0.00 0.38 6.99 0.00 0.01 -4.84 105.19 109.21 1ti6 n GLY 182 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 1.13 0.33 -0.02 0.00 -0.93 -2.23 103.07 101.36 1ti6 h GLY 183 Ca 0.00 -0.27 0.17 0.00 0.00 0.00 0.00 47.33 47.22 1ti6 h GLY 183 CO 0.00 0.07 0.60 1.98 0.00 0.00 0.00 176.54 179.19 1ti6 h MET 184 N 0.63 0.69 0.00 4.80 -1.53 -0.89 0.18 114.93 118.81 1ti6 h MET 184 Ca 0.45 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.64 1ti6 h MET 184 Cb 0.80 -0.16 -0.00 0.00 -0.55 0.00 0.00 31.60 31.69 1ti6 h MET 184 CO -0.20 0.46 -0.14 0.45 0.14 0.00 0.00 176.91 177.62 1ti6 h HIS 185 N 0.71 0.00 0.15 1.39 3.86 -1.69 0.13 115.15 119.71 1ti6 h HIS 185 Ca 0.51 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 59.36 1ti6 h HIS 185 Cb 0.83 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.30 1ti6 h HIS 185 CO -0.00 0.14 -1.90 1.98 0.86 0.00 0.00 177.93 179.01 1ti6 h MET 186 N 0.00 0.32 0.00 2.45 -1.53 -0.77 -3.42 114.93 111.98 1ti6 h MET 186 Ca -0.00 -0.54 0.00 0.00 -3.44 0.00 0.00 59.70 55.72 1ti6 h MET 186 Cb 0.69 0.20 0.00 0.00 -0.55 0.00 0.00 31.60 31.94 1ti6 h MET 186 CO 0.02 1.26 0.00 -2.67 0.14 0.00 0.00 176.91 175.66 1ti6 n TRP 187 N -3.53 0.00 0.00 1.39 4.27 -0.37 -0.42 117.44 118.78 1ti6 n TRP 187 Ca -0.29 -0.09 0.00 0.00 -3.89 0.00 0.00 57.50 53.23 1ti6 n TRP 187 Cb 1.06 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 31.00 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 -0.09 0.90 3.05 -1.67 0.00 0.46 -4.37 105.19 103.47 1ti6 n GLY 188 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 10.53 -1.88 -0.26 1.61 3.01 -1.26 -4.24 117.46 124.96 1ti6 n PHE 189 Ca 0.00 0.48 0.06 0.00 1.01 0.00 0.00 57.45 59.00 1ti6 n PHE 189 Cb 0.00 -4.12 0.30 0.00 -0.01 0.00 0.00 39.48 35.65 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 -1.21 0.79 0.39 4.37 4.64 -1.90 0.53 113.55 121.15 1ti6 h SER 190 Ca -0.50 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1ti6 h SER 190 Cb 1.35 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ti6 h SER 190 CO 0.56 0.48 0.00 4.11 -0.87 0.00 0.00 176.83 181.11 1ti6 h TRP 191 N 0.88 0.00 -0.26 4.77 0.09 -1.87 0.21 115.95 119.77 1ti6 h TRP 191 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.37 1ti6 h TRP 191 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.58 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 -2.36 2.81 -3.61 0.12 1.74 0.01 -4.27 116.66 111.10 1ti6 n ARG 192 Ca 0.00 -2.28 -0.27 0.00 -0.77 0.00 0.00 57.85 54.54 1ti6 n ARG 192 Cb 0.14 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.06 -2.35 0.00 0.55 4.77 0.73 -2.14 117.00 118.51 1ti6 n LEU 193 Ca 0.14 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1ti6 n LEU 193 Cb 0.57 -2.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.12 1ti6 n LEU 193 CO 0.09 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1ti6 n GLY 194 N -1.54 3.43 3.83 -0.72 0.00 -0.22 -2.78 105.19 107.18 1ti6 n GLY 194 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.79 6.39 0.47 1.61 0.01 -0.91 -4.71 114.94 117.01 1ti6 s ASN 195 Ca 0.00 1.67 -0.04 0.00 -0.71 0.00 0.00 52.86 53.78 1ti6 s ASN 195 Cb 0.00 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 1ti6 s ASN 195 CO 0.00 -0.75 0.75 -2.16 -1.51 0.00 0.00 177.10 173.43 1ti6 s PRO 196 N -3.98 3.45 0.79 -0.60 0.04 -1.26 -4.69 135.00 128.76 1ti6 s PRO 196 Ca 0.61 0.06 -0.11 0.00 0.04 0.00 0.00 61.00 61.59 1ti6 s PRO 196 Cb -0.12 -2.42 0.07 0.00 0.04 0.00 0.00 34.50 32.07 1ti6 s PRO 196 CO 0.31 -0.20 1.09 -1.83 0.04 0.00 0.00 177.00 176.41 1ti6 s GLU 197 N -4.69 2.11 0.00 4.56 -1.05 -1.26 -4.93 118.70 113.44 1ti6 s GLU 197 Ca 0.47 0.84 0.00 0.00 -0.15 0.00 0.00 54.97 56.12 1ti6 s GLU 197 Cb -0.10 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.68 1ti6 s GLU 197 CO 0.43 -1.65 0.46 1.04 0.95 0.00 0.00 175.26 176.48 1ti6 n GLN 198 N -3.49 0.38 -1.51 -4.83 1.13 -1.26 -4.82 117.38 102.98 1ti6 n GLN 198 Ca 0.07 -0.53 -0.51 0.00 -1.94 0.00 0.00 57.00 54.09 1ti6 n GLN 198 Cb 0.55 -0.60 -0.05 0.00 0.11 0.00 0.00 30.24 30.25 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 -0.07 0.61 -2.37 1.08 4.02 -1.26 -2.72 117.16 116.44 1ti6 n TYR 199 Ca 0.00 0.87 -0.11 0.00 -0.01 0.00 0.00 57.90 58.65 1ti6 n TYR 199 Cb 0.37 -2.13 -0.01 0.00 -0.02 0.00 0.00 39.34 37.55 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 1.84 -3.60 0.19 7.72 10.43 -1.24 -1.61 116.55 130.27 1ti6 n ASP 200 Ca 0.17 0.23 0.10 0.00 2.57 0.00 0.00 54.79 57.86 1ti6 n ASP 200 Cb 0.20 -3.09 0.12 0.00 1.84 0.00 0.00 41.12 40.18 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 0.00 0.00 0.28 0.64 3.38 -1.38 -3.30 115.31 114.93 1ti6 h LEU 201 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1ti6 h LEU 201 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ti6 h LEU 201 CO 0.32 0.10 -0.13 0.25 0.09 0.00 0.00 178.44 179.06 1ti6 h LEU 202 N 0.00 -0.31 -0.96 1.67 5.85 -1.58 0.16 115.31 120.13 1ti6 h LEU 202 Ca -0.01 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1ti6 h LEU 202 Cb 1.08 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1ti6 h LEU 202 CO 0.01 -0.17 0.55 -0.08 -0.34 0.00 0.00 178.44 178.41 1ti6 h GLU 203 N -0.44 1.27 -0.48 1.25 4.81 -1.77 0.18 114.58 119.40 1ti6 h GLU 203 Ca -0.04 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1ti6 h GLU 203 Cb 0.33 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1ti6 h GLU 203 CO 0.06 0.89 0.31 0.22 -0.73 0.00 0.00 179.01 179.77 1ti6 h ASP 204 N 1.28 0.54 -0.41 1.04 1.82 -1.56 -2.05 116.42 117.08 1ti6 h ASP 204 Ca 0.33 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.86 1ti6 h ASP 204 Cb -0.04 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 1ti6 h ASP 204 CO -0.06 0.39 -0.12 1.23 -1.61 0.00 0.00 179.24 179.07 1ti6 h GLY 205 N 0.64 0.86 1.97 -0.78 0.00 -0.17 -0.75 103.07 104.84 1ti6 h GLY 205 Ca 0.18 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 1ti6 h GLY 205 CO -0.04 0.66 -0.12 1.41 0.00 0.00 0.00 176.54 178.44 1ti6 h LEU 206 N 0.61 0.04 0.06 3.11 3.38 -0.78 0.14 115.31 121.87 1ti6 h LEU 206 Ca 0.10 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.77 1ti6 h LEU 206 Cb 0.65 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1ti6 h LEU 206 CO 0.04 0.17 -1.56 0.11 0.09 0.00 0.00 178.44 177.30 1ti6 h LYS 207 N 0.04 0.12 0.00 1.13 1.57 -1.24 -3.42 116.57 114.77 1ti6 h LYS 207 Ca 0.01 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1ti6 h LYS 207 Cb 0.25 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1ti6 h LYS 207 CO 0.02 0.89 -0.79 0.72 -0.57 0.00 0.00 179.45 179.71 1ti6 n HIS 208 N -3.29 0.00 -1.85 -1.35 8.25 -0.30 -4.81 115.22 111.87 1ti6 n HIS 208 Ca -0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.89 1ti6 n HIS 208 Cb 1.03 -0.02 -0.01 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 -1.83 3.66 0.00 -1.41 0.00 0.49 -4.68 121.76 117.99 1ti6 s ALA 209 Ca -0.00 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1ti6 s ALA 209 Cb 0.01 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1ti6 s ALA 209 CO 0.06 -0.94 0.00 0.39 0.00 0.00 0.00 175.76 175.27 1ti6 n GLU 210 N 1.67 2.34 -3.68 0.00 1.02 -0.48 -4.77 120.64 116.75 1ti6 n GLU 210 Ca 0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.05 1ti6 n GLU 210 Cb 0.39 -0.89 -0.08 0.00 -0.02 0.00 0.00 31.44 30.83 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 -1.70 0.74 -0.07 3.49 0.00 -0.89 -1.86 119.30 119.02 1ti6 s MET 211 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 55.69 55.95 1ti6 s MET 211 Cb 0.00 0.34 0.02 0.00 0.00 0.00 0.00 34.83 35.20 1ti6 s MET 211 CO 0.00 -0.18 -0.06 0.42 0.00 0.00 0.00 175.02 175.20 1ti6 s ILE 212 N -0.69 0.73 -0.44 10.11 1.01 -0.37 -1.09 121.20 130.46 1ti6 s ILE 212 Ca -0.08 -0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 1ti6 s ILE 212 Cb -0.03 -0.75 0.07 0.00 0.01 0.00 0.00 42.46 41.76 1ti6 s ILE 212 CO 0.04 0.29 0.32 -0.69 0.00 0.00 0.00 174.94 174.90 1ti6 s VAL 213 N 1.16 4.77 -0.63 2.92 1.01 -0.54 -1.70 120.40 127.39 1ti6 s VAL 213 Ca -0.07 -1.18 -0.24 0.00 0.00 0.00 0.00 61.98 60.50 1ti6 s VAL 213 Cb -0.14 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.43 1ti6 s VAL 213 CO -0.01 -0.52 1.01 -0.36 0.00 0.00 0.00 175.10 175.22 1ti6 s PHE 214 N 1.55 2.66 -0.29 5.22 0.08 0.85 -0.47 117.98 127.57 1ti6 s PHE 214 Ca 0.03 -0.24 -0.07 0.00 0.12 0.00 0.00 56.93 56.78 1ti6 s PHE 214 Cb -0.23 -4.27 0.00 0.00 -0.57 0.00 0.00 43.02 37.95 1ti6 s PHE 214 CO 0.05 -1.60 0.09 -0.46 -0.10 0.00 0.00 175.22 173.20 1ti6 s TRP 215 N 4.30 3.14 -1.41 0.36 -0.11 -0.37 -0.95 118.94 123.90 1ti6 s TRP 215 Ca 0.28 -0.83 -0.07 0.00 1.22 0.00 0.00 56.10 56.70 1ti6 s TRP 215 Cb -0.14 -2.27 0.04 0.00 -1.50 0.00 0.00 33.47 29.61 1ti6 s TRP 215 CO 0.15 -0.53 0.87 0.45 -4.62 0.00 0.00 176.95 173.27 1ti6 n SER 216 N 4.89 -3.21 -3.83 5.86 2.88 -0.31 -1.67 113.62 118.24 1ti6 n SER 216 Ca -0.15 -0.78 -0.21 0.00 -1.33 0.00 0.00 58.87 56.40 1ti6 n SER 216 Cb 0.49 -4.06 -0.17 0.00 -0.75 0.00 0.00 64.21 59.72 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 -3.81 1.22 -0.49 -3.46 0.15 -1.26 -3.31 113.70 102.74 1ti6 s SER 217 Ca 0.35 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.96 1ti6 s SER 217 Cb -0.17 -0.43 0.23 0.00 -1.71 0.00 0.00 66.02 63.94 1ti6 s SER 217 CO 0.81 -0.13 0.57 -0.67 1.20 0.00 0.00 173.24 175.03 1ti6 n ASP 218 N 4.60 1.43 -0.31 5.45 -0.08 -1.26 -4.88 116.55 121.50 1ti6 n ASP 218 Ca -0.16 -2.93 0.12 0.00 -1.51 0.00 0.00 54.79 50.31 1ti6 n ASP 218 Cb 0.50 -0.65 0.29 0.00 2.34 0.00 0.00 41.12 43.61 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 4.35 0.47 -0.47 -0.67 0.11 -1.90 -1.43 132.00 132.46 1ti6 h PRO 219 Ca 0.14 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1ti6 h PRO 219 Cb 0.81 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 1ti6 h PRO 219 CO 0.59 0.31 0.31 0.93 -0.21 0.00 0.00 178.00 179.93 1ti6 h GLU 220 N 0.48 0.63 0.10 1.05 4.39 -1.94 0.84 114.58 120.14 1ti6 h GLU 220 Ca 0.54 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.20 1ti6 h GLU 220 Cb 0.96 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1ti6 h GLU 220 CO -0.48 0.42 -0.05 1.15 -1.16 0.00 0.00 179.01 178.90 1ti6 h THR 221 N 0.64 1.11 0.00 1.13 2.02 -1.73 -3.36 112.91 112.72 1ti6 h THR 221 Ca 0.17 -1.06 -0.20 0.00 0.77 0.00 0.00 66.41 66.09 1ti6 h THR 221 Cb -0.07 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1ti6 h THR 221 CO -0.04 0.25 -1.22 0.78 0.37 0.00 0.00 175.52 175.66 1ti6 h ASN 222 N -0.65 0.00 -0.56 4.18 2.35 -1.30 -3.48 115.58 116.12 1ti6 h ASN 222 Ca -0.01 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.51 1ti6 h ASN 222 Cb 0.51 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.79 1ti6 h ASN 222 CO 0.02 0.79 -0.20 -1.54 -1.65 0.00 0.00 177.43 174.85 1ti6 n SER 223 N -3.11 -5.52 0.00 5.81 3.41 0.29 -2.75 113.62 111.75 1ti6 n SER 223 Ca -0.07 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1ti6 n SER 223 Cb 0.90 -4.09 0.00 0.00 -0.26 0.00 0.00 64.21 60.76 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 0.24 1.79 3.65 5.00 0.00 -1.25 -4.35 105.19 110.27 1ti6 n GLY 224 Ca -0.11 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 1ti6 n GLY 224 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ti6 s ILE 225 N 0.00 0.00 0.00 -0.61 2.07 -1.11 -4.71 121.20 116.84 1ti6 s ILE 225 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1ti6 s ILE 225 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1ti6 s ILE 225 CO 0.00 0.00 0.00 -1.22 -1.91 0.00 0.00 174.94 171.81 1ti6 n TYR 226 N 2.31 0.00 -1.14 3.50 0.53 -1.25 -4.86 117.16 116.25 1ti6 n TYR 226 Ca -0.13 0.00 -0.06 0.00 -1.02 0.00 0.00 57.90 56.68 1ti6 n TYR 226 Cb 0.57 -1.60 0.26 0.00 -1.03 0.00 0.00 39.34 37.54 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 4.46 -0.34 -0.72 0.00 -1.26 -3.92 120.51 119.73 1ti6 n ALA 227 Ca 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 50.87 1ti6 n ALA 227 Cb 0.26 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.53 2.51 1.54 0.00 0.00 -1.26 -1.76 105.19 105.69 1ti6 n GLY 228 Ca 0.40 0.35 -0.03 0.00 0.00 0.00 0.00 46.02 46.74 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 9.77 0.89 -0.17 1.61 3.01 -1.26 -4.62 117.46 126.69 1ti6 n PHE 229 Ca 0.00 -1.55 0.10 0.00 1.01 0.00 0.00 57.45 57.01 1ti6 n PHE 229 Cb 0.00 -0.25 0.41 0.00 -0.01 0.00 0.00 39.48 39.64 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 1.56 0.60 -0.01 -1.08 4.39 -1.66 -2.70 114.58 115.68 1ti6 h GLU 230 Ca 0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1ti6 h GLU 230 Cb 1.39 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1ti6 h GLU 230 CO 0.24 0.39 -0.13 -1.13 -1.16 0.00 0.00 179.01 177.22 1ti6 n SER 231 N -4.49 0.73 -0.10 1.42 3.41 -1.26 -4.32 113.62 109.01 1ti6 n SER 231 Ca 0.12 -0.80 -0.06 0.00 -0.26 0.00 0.00 58.87 57.87 1ti6 n SER 231 Cb 0.35 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.94 -0.10 0.18 4.04 -0.73 -1.87 -2.06 115.58 115.99 1ti6 h ASN 232 Ca 0.00 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.21 1ti6 h ASN 232 Cb 0.40 0.12 -0.00 0.00 0.27 0.00 0.00 38.32 39.10 1ti6 h ASN 232 CO 0.00 -0.01 -0.15 -0.29 -0.37 0.00 0.00 177.43 176.61 1ti6 h ILE 233 N 0.12 1.02 -0.39 2.57 2.10 -1.81 -2.51 117.51 118.61 1ti6 h ILE 233 Ca 0.16 -0.53 -0.08 0.00 1.08 0.00 0.00 64.86 65.50 1ti6 h ILE 233 Cb 0.21 1.29 -0.01 0.00 -1.09 0.00 0.00 36.82 37.22 1ti6 h ILE 233 CO -0.26 0.15 -0.06 0.03 -1.08 0.00 0.00 178.15 176.93 1ti6 h ARG 234 N 0.00 0.72 0.00 2.19 3.08 -1.64 -0.27 114.38 118.46 1ti6 h ARG 234 Ca -0.00 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 1ti6 h ARG 234 Cb 0.28 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1ti6 h ARG 234 CO 0.02 0.85 -0.22 0.00 -1.07 0.00 0.00 179.97 179.55 1ti6 h ARG 235 N 0.53 0.00 -0.33 0.04 3.08 -1.31 -1.64 114.38 114.76 1ti6 h ARG 235 Ca 0.10 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 1ti6 h ARG 235 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1ti6 h ARG 235 CO 0.03 0.22 -0.21 0.37 -1.07 0.00 0.00 179.97 179.32 1ti6 h GLN 236 N 0.00 0.72 -0.13 0.04 5.75 -0.99 -0.50 115.11 120.00 1ti6 h GLN 236 Ca -0.00 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1ti6 h GLN 236 Cb 0.71 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 1ti6 h GLN 236 CO 0.03 0.95 0.08 -1.49 -2.65 0.00 0.00 178.83 175.75 1ti6 h TRP 237 N 0.49 0.17 -0.19 3.99 6.55 -0.46 -1.01 115.95 125.49 1ti6 h TRP 237 Ca 0.07 0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.93 1ti6 h TRP 237 Cb 0.76 -0.06 -0.02 0.00 -0.86 0.00 0.00 29.16 28.98 1ti6 h TRP 237 CO 0.06 0.14 0.05 -0.07 -1.05 0.00 0.00 178.44 177.57 1ti6 h LEU 238 N 0.16 0.03 -0.49 -4.49 3.38 -1.24 -1.68 115.31 110.98 1ti6 h LEU 238 Ca 0.05 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1ti6 h LEU 238 Cb 0.01 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1ti6 h LEU 238 CO -0.01 0.05 0.19 0.50 0.09 0.00 0.00 178.44 179.26 1ti6 h LYS 239 N 0.13 0.37 0.00 1.13 3.64 -0.90 -0.03 116.57 120.91 1ti6 h LYS 239 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1ti6 h LYS 239 Cb 0.07 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1ti6 h LYS 239 CO -0.11 0.24 0.00 -0.25 -2.27 0.00 0.00 179.45 177.07 1ti6 n ASP 240 N -4.98 0.67 -0.11 4.20 8.00 -0.40 -1.26 116.55 122.67 1ti6 n ASP 240 Ca 0.05 0.66 0.14 0.00 0.71 0.00 0.00 54.79 56.34 1ti6 n ASP 240 Cb 0.18 -0.80 0.50 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.23 0.54 0.00 0.64 4.77 -0.08 -4.92 117.00 115.73 1ti6 n LEU 241 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1ti6 n LEU 241 Cb 0.24 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1ti6 n LEU 241 CO 0.20 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1ti6 n GLY 242 N 1.35 0.87 3.71 -0.72 0.00 -0.39 -5.06 105.19 104.96 1ti6 n GLY 242 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.03 3.50 0.22 1.61 1.01 -0.89 -4.96 120.40 118.87 1ti6 s VAL 243 Ca 0.00 1.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.79 1ti6 s VAL 243 Cb 0.00 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 1ti6 s VAL 243 CO 0.00 0.08 0.86 -1.81 0.00 0.00 0.00 175.10 174.23 1ti6 s ASP 244 N 1.09 7.45 -0.22 3.32 1.01 -0.78 -4.52 116.67 124.02 1ti6 s ASP 244 Ca 0.63 1.77 -0.00 0.00 0.71 0.00 0.00 52.55 55.65 1ti6 s ASP 244 Cb -0.35 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.06 1ti6 s ASP 244 CO 0.30 0.13 -0.12 -0.36 0.21 0.00 0.00 175.17 175.33 1ti6 s PHE 245 N -1.27 2.96 -0.11 4.23 2.99 -1.26 -1.23 117.98 124.29 1ti6 s PHE 245 Ca 0.41 -1.61 0.01 0.00 0.00 0.00 0.00 56.93 55.73 1ti6 s PHE 245 Cb -0.23 -1.99 -0.02 0.00 0.00 0.00 0.00 43.02 40.78 1ti6 s PHE 245 CO 0.27 -0.76 -0.13 0.08 -0.00 0.00 0.00 175.22 174.69 1ti6 s VAL 246 N 1.30 3.11 -0.11 -0.44 1.01 -0.69 -0.48 120.40 124.10 1ti6 s VAL 246 Ca 0.02 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1ti6 s VAL 246 Cb -0.15 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1ti6 s VAL 246 CO -0.08 0.54 -0.18 -0.36 0.00 0.00 0.00 175.10 175.03 1ti6 s PHE 247 N 0.07 2.69 -0.27 5.22 0.40 0.01 -0.11 117.98 125.99 1ti6 s PHE 247 Ca -0.05 -0.74 0.03 0.00 -0.60 0.00 0.00 56.93 55.57 1ti6 s PHE 247 Cb -0.15 -1.76 0.07 0.00 0.51 0.00 0.00 43.02 41.69 1ti6 s PHE 247 CO 0.04 -0.24 -0.08 0.42 0.70 0.00 0.00 175.22 176.06 1ti6 s ILE 248 N 0.21 2.17 -0.28 0.64 1.01 -0.13 0.10 121.20 124.92 1ti6 s ILE 248 Ca -0.11 -1.74 -0.18 0.00 0.00 0.00 0.00 60.65 58.61 1ti6 s ILE 248 Cb -0.16 -2.33 0.12 0.00 0.01 0.00 0.00 42.46 40.10 1ti6 s ILE 248 CO 0.06 -0.12 0.90 -0.62 0.00 0.00 0.00 174.94 175.16 1ti6 s ASP 249 N 1.08 -0.62 0.37 3.58 -1.08 -0.36 -1.16 116.67 118.48 1ti6 s ASP 249 Ca -0.06 1.03 0.12 0.00 -0.52 0.00 0.00 52.55 53.13 1ti6 s ASP 249 Cb -0.20 1.20 0.92 0.00 -1.46 0.00 0.00 42.92 43.38 1ti6 s ASP 249 CO -0.06 -0.17 1.85 -0.65 0.52 0.00 0.00 175.17 176.66 1ti6 h PRO 250 N 5.82 0.56 -5.64 4.34 0.11 -1.78 -3.35 132.00 132.06 1ti6 h PRO 250 Ca -0.29 -0.03 -0.65 0.00 0.11 0.00 0.00 66.00 65.14 1ti6 h PRO 250 Cb 1.20 -0.13 -0.15 0.00 0.11 0.00 0.00 31.00 32.03 1ti6 h PRO 250 CO 0.16 0.37 -0.60 -1.58 -0.21 0.00 0.00 178.00 176.15 1ti6 s HIS 251 N -5.60 3.22 -1.00 0.65 5.65 -1.26 -4.06 115.29 112.89 1ti6 s HIS 251 Ca -0.09 0.13 -0.23 0.00 0.25 0.00 0.00 55.06 55.11 1ti6 s HIS 251 Cb 0.23 -1.91 -0.02 0.00 -1.18 0.00 0.00 32.58 29.70 1ti6 s HIS 251 CO 0.79 0.34 1.80 1.41 -0.65 0.00 0.00 174.74 178.43 1ti6 s MET 252 N -0.37 2.91 1.25 2.88 1.75 -0.56 -4.93 119.30 122.23 1ti6 s MET 252 Ca 0.08 -0.74 -0.16 0.00 -1.25 0.00 0.00 55.69 53.62 1ti6 s MET 252 Cb -0.12 -5.20 0.31 0.00 2.84 0.00 0.00 34.83 32.66 1ti6 s MET 252 CO 0.02 -3.09 1.00 0.54 -0.65 0.00 0.00 175.02 172.84 1ti6 s ASN 253 N 6.77 0.30 0.46 1.11 2.20 -1.26 -4.58 114.94 119.93 1ti6 s ASN 253 Ca 0.63 1.23 0.14 0.00 -0.94 0.00 0.00 52.86 53.92 1ti6 s ASN 253 Cb -0.03 -1.88 1.04 0.00 -2.00 0.00 0.00 41.25 38.38 1ti6 s ASN 253 CO -0.01 -4.58 2.03 0.45 -2.94 0.00 0.00 177.10 172.05 1ti6 h HIS 254 N -2.88 0.06 -0.09 1.54 3.86 -1.94 0.09 115.15 115.79 1ti6 h HIS 254 Ca -0.56 -0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.49 1ti6 h HIS 254 Cb 1.34 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.80 1ti6 h HIS 254 CO -0.94 0.16 -0.55 1.15 0.86 0.00 0.00 177.93 178.61 1ti6 h THR 255 N 0.06 1.37 -0.76 2.45 2.02 -1.90 -2.93 112.91 113.21 1ti6 h THR 255 Ca 0.01 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1ti6 h THR 255 Cb 0.21 2.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.84 1ti6 h THR 255 CO 0.01 0.57 0.49 0.00 0.37 0.00 0.00 175.52 176.96 1ti6 h ALA 256 N 0.45 0.97 0.00 6.16 0.00 -1.77 -0.39 119.26 124.67 1ti6 h ALA 256 Ca -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ti6 h ALA 256 Cb 1.20 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ti6 h ALA 256 CO 0.11 0.40 -0.04 0.00 0.00 0.00 0.00 179.25 179.72 1ti6 h ARG 257 N 1.03 0.00 0.10 0.00 3.08 -1.00 -0.74 114.38 116.85 1ti6 h ARG 257 Ca 0.28 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.04 1ti6 h ARG 257 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1ti6 h ARG 257 CO -0.06 0.04 -1.50 1.25 -1.07 0.00 0.00 179.97 178.64 1ti6 h LEU 258 N 0.00 0.33 -2.00 3.04 5.85 -1.09 -3.44 115.31 118.00 1ti6 h LEU 258 Ca -0.00 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 57.90 1ti6 h LEU 258 Cb 0.09 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1ti6 h LEU 258 CO 0.01 1.64 -0.29 1.33 -0.34 0.00 0.00 178.44 180.79 1ti6 n VAL 259 N -3.92 0.35 -2.23 1.05 0.24 -0.26 -5.10 118.33 108.47 1ti6 n VAL 259 Ca -0.27 -0.41 -0.40 0.00 -2.04 0.00 0.00 64.34 61.21 1ti6 n VAL 259 Cb 0.89 0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 33.73 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 -0.51 3.45 -0.10 2.33 0.00 -0.29 -4.68 121.76 121.97 1ti6 s ALA 260 Ca 0.05 1.14 0.20 0.00 0.00 0.00 0.00 51.96 53.36 1ti6 s ALA 260 Cb 0.04 -3.43 -0.29 0.00 0.00 0.00 0.00 23.12 19.45 1ti6 s ALA 260 CO 0.00 -0.50 0.38 -0.25 0.00 0.00 0.00 175.76 175.40 1ti6 n ASP 261 N 0.88 0.08 -3.62 0.00 10.43 0.37 -4.96 116.55 119.72 1ti6 n ASP 261 Ca -0.00 0.03 -0.13 0.00 2.57 0.00 0.00 54.79 57.26 1ti6 n ASP 261 Cb 0.43 1.50 -0.07 0.00 1.84 0.00 0.00 41.12 44.82 1ti6 n ASP 261 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1ti6 s LYS 262 N -3.14 0.80 -0.06 -1.24 2.47 -1.17 -5.03 119.74 112.38 1ti6 s LYS 262 Ca -0.08 0.87 0.02 0.00 -1.56 0.00 0.00 55.97 55.22 1ti6 s LYS 262 Cb 0.11 0.39 0.02 0.00 -1.46 0.00 0.00 37.83 36.88 1ti6 s LYS 262 CO 0.87 -0.11 -0.10 -0.46 0.16 0.00 0.00 175.35 175.71 1ti6 s TRP 263 N 0.22 1.27 -0.08 4.03 -0.00 -1.26 -0.81 118.94 122.31 1ti6 s TRP 263 Ca -0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 56.10 55.65 1ti6 s TRP 263 Cb -0.05 -0.96 -0.03 0.00 -0.00 0.00 0.00 33.47 32.44 1ti6 s TRP 263 CO 0.00 -0.25 -0.07 -0.06 -0.00 0.00 0.00 176.95 176.58 1ti6 s PHE 264 N 0.71 2.95 -0.64 5.86 0.08 0.12 -4.98 117.98 122.07 1ti6 s PHE 264 Ca -0.14 -0.05 0.05 0.00 0.12 0.00 0.00 56.93 56.91 1ti6 s PHE 264 Cb -0.15 -1.75 0.16 0.00 -0.57 0.00 0.00 43.02 40.70 1ti6 s PHE 264 CO 0.03 0.26 0.42 0.45 -0.10 0.00 0.00 175.22 176.28 1ti6 s SER 265 N -0.60 4.50 0.54 1.36 0.15 -1.26 -1.23 113.70 117.16 1ti6 s SER 265 Ca 0.09 -3.57 -0.19 0.00 0.70 0.00 0.00 55.95 52.98 1ti6 s SER 265 Cb -0.12 -1.56 -0.06 0.00 -1.71 0.00 0.00 66.02 62.58 1ti6 s SER 265 CO 0.02 -0.13 1.10 -2.16 1.20 0.00 0.00 173.24 173.27 1ti6 s PRO 266 N -1.03 3.43 0.70 5.44 0.04 -1.26 -4.70 135.00 137.61 1ti6 s PRO 266 Ca 0.23 1.52 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 1ti6 s PRO 266 Cb -0.10 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1ti6 s PRO 266 CO -0.12 -0.77 1.18 0.15 0.04 0.00 0.00 177.00 177.48 1ti6 s LYS 267 N -3.35 2.37 0.37 4.56 1.02 -0.63 -4.23 119.74 119.84 1ti6 s LYS 267 Ca 0.71 1.67 -0.27 0.00 0.02 0.00 0.00 55.97 58.09 1ti6 s LYS 267 Cb -0.22 -1.87 -0.11 0.00 -0.52 0.00 0.00 37.83 35.11 1ti6 s LYS 267 CO 0.26 -1.64 1.32 0.44 -0.92 0.00 0.00 175.35 174.81 1ti6 n ILE 268 N -2.56 2.16 -1.52 2.17 -5.35 -1.26 -2.46 119.36 110.53 1ti6 n ILE 268 Ca 0.13 -0.50 -0.13 0.00 -0.27 0.00 0.00 62.75 61.98 1ti6 n ILE 268 Cb 0.51 -1.64 -0.05 0.00 -1.74 0.00 0.00 39.64 36.72 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 0.72 1.08 0.00 3.28 0.00 -1.26 -4.62 105.19 104.40 1ti6 n GLY 269 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.88 0.76 -0.25 2.61 -2.24 -1.03 -4.36 114.28 106.88 1ti6 n THR 270 Ca -0.13 -0.80 0.09 0.00 -2.27 0.00 0.00 64.05 60.94 1ti6 n THR 270 Cb 0.45 0.64 0.34 0.00 -2.10 0.00 0.00 70.33 69.66 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 0.71 0.54 3.42 5.19 -1.91 -1.08 116.42 123.28 1ti6 h ASP 271 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1ti6 h ASP 271 Cb 0.54 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1ti6 h ASP 271 CO 0.00 0.41 0.00 0.00 -3.12 0.00 0.00 179.24 176.53 1ti6 n HIS 272 N -4.53 0.34 0.03 4.55 1.44 -1.26 -1.10 115.22 114.68 1ti6 n HIS 272 Ca 0.15 0.14 -0.14 0.00 -2.01 0.00 0.00 57.72 55.86 1ti6 n HIS 272 Cb 0.35 -0.72 -0.03 0.00 0.12 0.00 0.00 29.99 29.72 1ti6 n HIS 272 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ti6 h ALA 273 N 2.37 0.43 -0.32 1.59 0.00 -1.56 -2.11 119.26 119.65 1ti6 h ALA 273 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 1ti6 h ALA 273 Cb 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ti6 h ALA 273 CO 0.00 0.74 -0.20 -0.07 0.00 0.00 0.00 179.25 179.72 1ti6 h LEU 274 N 0.36 0.74 -0.90 0.00 3.38 -1.17 -2.18 115.31 115.55 1ti6 h LEU 274 Ca -0.05 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 1ti6 h LEU 274 Cb 1.42 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1ti6 h LEU 274 CO 0.15 1.01 -0.07 0.77 0.09 0.00 0.00 178.44 180.39 1ti6 h SER 275 N 0.47 0.72 -0.11 -0.43 4.64 -1.43 -1.51 113.55 115.91 1ti6 h SER 275 Ca 0.07 -0.19 -0.12 0.00 -0.47 0.00 0.00 61.79 61.08 1ti6 h SER 275 Cb 0.75 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1ti6 h SER 275 CO 0.06 0.83 -0.31 -0.26 -0.87 0.00 0.00 176.83 176.27 1ti6 h PHE 276 N 0.68 0.68 -0.07 4.77 -1.00 -1.31 -1.75 116.94 118.94 1ti6 h PHE 276 Ca 0.12 -0.17 -0.15 0.00 2.81 0.00 0.00 57.97 60.58 1ti6 h PHE 276 Cb 0.52 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1ti6 h PHE 276 CO 0.03 0.84 -0.63 0.00 -1.61 0.00 0.00 178.31 176.93 1ti6 h ALA 277 N 1.15 0.80 -0.28 2.45 0.00 -1.15 -0.23 119.26 121.99 1ti6 h ALA 277 Ca 0.06 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1ti6 h ALA 277 Cb 0.79 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1ti6 h ALA 277 CO 0.06 0.74 -0.13 0.82 0.00 0.00 0.00 179.25 180.75 1ti6 h ILE 278 N 0.19 1.29 -0.67 0.00 2.04 -1.15 -1.35 117.51 117.87 1ti6 h ILE 278 Ca -0.01 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 1ti6 h ILE 278 Cb 1.15 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 1ti6 h ILE 278 CO 0.10 0.39 0.26 0.00 0.00 0.00 0.00 178.15 178.89 1ti6 h ALA 279 N 0.75 0.87 -0.62 1.87 0.00 -1.22 -1.82 119.26 119.08 1ti6 h ALA 279 Ca 0.06 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ti6 h ALA 279 Cb 0.64 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1ti6 h ALA 279 CO 0.04 0.50 0.36 -0.92 0.00 0.00 0.00 179.25 179.23 1ti6 h TYR 280 N 0.95 0.66 -0.65 0.00 3.20 -0.90 -0.67 116.97 119.57 1ti6 h TYR 280 Ca 0.22 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1ti6 h TYR 280 Cb 0.22 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1ti6 h TYR 280 CO 0.02 0.35 0.33 1.15 -1.64 0.00 0.00 178.16 178.36 1ti6 h THR 281 N 0.69 1.21 -0.42 1.81 2.02 -0.85 -1.01 112.91 116.36 1ti6 h THR 281 Ca 0.27 -0.58 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 1ti6 h THR 281 Cb 0.11 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1ti6 h THR 281 CO -0.14 0.24 -0.04 -0.50 0.37 0.00 0.00 175.52 175.45 1ti6 h TRP 282 N 0.89 0.74 -0.23 3.16 6.55 -0.70 -0.91 115.95 125.45 1ti6 h TRP 282 Ca 0.22 -0.10 -0.15 0.00 0.95 0.00 0.00 58.89 59.81 1ti6 h TRP 282 Cb 0.09 -0.20 0.00 0.00 -0.86 0.00 0.00 29.16 28.19 1ti6 h TRP 282 CO -0.00 0.72 -0.46 -0.07 -1.05 0.00 0.00 178.44 177.58 1ti6 h LEU 283 N 0.65 0.80 -1.02 -4.49 3.38 -0.84 0.99 115.31 114.79 1ti6 h LEU 283 Ca 0.12 -0.54 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1ti6 h LEU 283 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ti6 h LEU 283 CO 0.02 1.20 -0.47 0.11 0.09 0.00 0.00 178.44 179.39 1ti6 h LYS 284 N 0.44 0.04 -0.42 1.13 1.79 -1.04 -3.12 116.57 115.40 1ti6 h LYS 284 Ca 0.01 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1ti6 h LYS 284 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1ti6 h LYS 284 CO 0.10 0.51 0.00 0.39 -1.08 0.00 0.00 179.45 179.37 1ti6 n GLU 285 N -3.98 2.46 -3.93 3.15 1.02 -0.36 -4.97 120.64 114.04 1ti6 n GLU 285 Ca -0.02 -2.17 -0.31 0.00 -0.02 0.00 0.00 57.16 54.64 1ti6 n GLU 285 Cb 0.50 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 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 1.09 -4.20 -3.27 1.62 9.92 -0.03 -4.90 116.55 116.77 1ti6 n ASP 286 Ca 0.16 -0.79 -0.36 0.00 -0.53 0.00 0.00 54.79 53.28 1ti6 n ASP 286 Cb 0.51 -3.39 0.00 0.00 -0.64 0.00 0.00 41.12 37.60 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 -2.68 6.33 -3.49 -2.24 3.41 0.14 -4.97 113.62 110.12 1ti6 n SER 287 Ca 0.05 -3.71 -0.14 0.00 -0.26 0.00 0.00 58.87 54.81 1ti6 n SER 287 Cb 0.52 -0.93 -0.05 0.00 -0.26 0.00 0.00 64.21 63.49 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 -4.00 0.97 -1.16 7.33 1.13 -1.26 -4.74 117.35 115.61 1ti6 s TYR 288 Ca 0.44 -1.21 -0.17 0.00 -1.41 0.00 0.00 57.07 54.72 1ti6 s TYR 288 Cb 0.26 -0.11 0.12 0.00 -1.10 0.00 0.00 41.96 41.13 1ti6 s TYR 288 CO -0.17 -1.05 1.47 0.34 -2.51 0.00 0.00 175.55 173.64 1ti6 s ASP 289 N -3.19 6.86 0.24 -0.18 -1.08 0.13 -4.85 116.67 114.60 1ti6 s ASP 289 Ca 0.30 -2.49 -0.06 0.00 -0.52 0.00 0.00 52.55 49.78 1ti6 s ASP 289 Cb 0.00 -2.47 0.31 0.00 -1.46 0.00 0.00 42.92 39.30 1ti6 s ASP 289 CO 0.18 -1.01 1.86 0.11 0.52 0.00 0.00 175.17 176.82 1ti6 h LYS 290 N 7.88 0.97 -0.09 4.34 1.57 -1.96 -0.85 116.57 128.42 1ti6 h LYS 290 Ca 0.31 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1ti6 h LYS 290 Cb 0.91 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1ti6 h LYS 290 CO 1.30 0.64 0.06 0.93 -0.57 0.00 0.00 179.45 181.81 1ti6 h GLU 291 N 1.00 0.12 -0.11 3.15 3.07 -1.98 0.19 114.58 120.01 1ti6 h GLU 291 Ca 0.36 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.23 1ti6 h GLU 291 Cb 0.12 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1ti6 h GLU 291 CO -0.16 0.08 0.02 -0.92 -1.40 0.00 0.00 179.01 176.63 1ti6 h TYR 292 N 0.12 0.03 -0.71 4.33 3.20 -1.86 -2.50 116.97 119.57 1ti6 h TYR 292 Ca 0.03 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1ti6 h TYR 292 Cb -0.01 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1ti6 h TYR 292 CO -0.07 0.01 0.37 0.28 -1.64 0.00 0.00 178.16 177.11 1ti6 h VAL 293 N 0.06 1.23 -0.32 1.81 2.07 -0.93 0.17 116.25 120.34 1ti6 h VAL 293 Ca 0.05 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1ti6 h VAL 293 Cb 0.04 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1ti6 h VAL 293 CO -0.06 0.26 0.20 0.00 0.02 0.00 0.00 177.57 177.99 1ti6 h ALA 294 N 1.18 1.75 0.00 1.67 0.00 -0.40 -1.60 119.26 121.87 1ti6 h ALA 294 Ca 0.25 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.86 1ti6 h ALA 294 Cb 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1ti6 h ALA 294 CO -0.04 0.22 -1.85 0.00 0.00 0.00 0.00 179.25 177.59 1ti6 n ALA 295 N -2.49 1.69 -0.06 0.00 0.00 -0.96 -4.57 120.51 114.11 1ti6 n ALA 295 Ca 0.02 -0.86 0.04 0.00 0.00 0.00 0.00 53.44 52.64 1ti6 n ALA 295 Cb 0.07 -0.67 0.10 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.87 2.53 -4.37 0.00 3.02 0.57 -5.01 115.26 109.13 1ti6 n ASN 296 Ca -0.19 -1.90 -0.24 0.00 -0.03 0.00 0.00 54.58 52.21 1ti6 n ASN 296 Cb 1.00 -0.14 -0.12 0.00 -0.61 0.00 0.00 39.78 39.91 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 -0.95 2.25 -0.06 5.41 0.00 -0.61 -1.08 121.76 126.71 1ti6 s ALA 297 Ca 0.16 -1.55 0.03 0.00 0.00 0.00 0.00 51.96 50.59 1ti6 s ALA 297 Cb 0.09 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1ti6 s ALA 297 CO 0.11 0.33 -0.13 -1.58 0.00 0.00 0.00 175.76 174.50 1ti6 s HIS 298 N -1.83 1.49 -0.43 0.00 2.46 0.15 -4.73 115.29 112.41 1ti6 s HIS 298 Ca 0.18 -0.53 0.00 0.00 0.47 0.00 0.00 55.06 55.17 1ti6 s HIS 298 Cb -0.07 -1.08 0.00 0.00 -0.13 0.00 0.00 32.58 31.30 1ti6 s HIS 298 CO 0.08 -0.26 0.00 0.41 -2.47 0.00 0.00 174.74 172.50 1ti6 n GLY 299 N 3.71 0.68 0.30 1.59 0.00 -1.26 -1.31 105.19 108.91 1ti6 n GLY 299 Ca -0.22 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.19 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 1.05 -0.38 1.61 3.57 -1.92 -2.30 116.94 118.57 1ti6 h PHE 300 Ca -0.08 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.28 1ti6 h PHE 300 Cb 0.35 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1ti6 h PHE 300 CO 0.17 0.92 0.23 0.93 -2.23 0.00 0.00 178.31 178.32 1ti6 h GLU 301 N 0.91 0.45 -0.51 1.11 3.07 -1.97 0.22 114.58 117.85 1ti6 h GLU 301 Ca 0.17 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.96 1ti6 h GLU 301 Cb 0.48 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 1ti6 h GLU 301 CO 0.02 0.30 0.13 0.93 -1.40 0.00 0.00 179.01 178.99 1ti6 h GLU 302 N 0.46 0.81 -0.32 2.33 3.07 -1.96 -2.34 114.58 116.64 1ti6 h GLU 302 Ca 0.15 -0.19 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1ti6 h GLU 302 Cb -0.01 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 1ti6 h GLU 302 CO -0.06 0.78 0.19 2.35 -1.40 0.00 0.00 179.01 180.86 1ti6 h TRP 303 N 0.71 0.42 -0.91 4.33 7.01 -1.00 -2.40 115.95 124.11 1ti6 h TRP 303 Ca 0.16 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.26 1ti6 h TRP 303 Cb 0.32 -0.14 -0.08 0.00 -2.10 0.00 0.00 29.16 27.17 1ti6 h TRP 303 CO 0.02 0.32 0.55 0.00 -2.79 0.00 0.00 178.44 176.54 1ti6 h ALA 304 N 1.07 1.32 -0.21 2.65 0.00 -0.39 0.60 119.26 124.30 1ti6 h ALA 304 Ca 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1ti6 h ALA 304 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1ti6 h ALA 304 CO -0.02 0.19 0.00 -0.44 0.00 0.00 0.00 179.25 178.98 1ti6 h ASP 305 N 0.92 0.27 -0.05 0.00 3.32 -0.94 -0.10 116.42 119.84 1ti6 h ASP 305 Ca 0.44 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 1ti6 h ASP 305 Cb 0.38 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1ti6 h ASP 305 CO -0.24 0.33 -0.10 0.22 -1.72 0.00 0.00 179.24 177.73 1ti6 h TYR 306 N 0.30 0.19 -0.97 4.55 3.20 -0.54 -0.31 116.97 123.39 1ti6 h TYR 306 Ca 0.07 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1ti6 h TYR 306 Cb 0.20 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 1ti6 h TYR 306 CO 0.00 0.69 0.63 0.28 -1.64 0.00 0.00 178.16 178.12 1ti6 h VAL 307 N -0.37 1.10 0.00 1.81 2.07 -0.66 0.82 116.25 121.01 1ti6 h VAL 307 Ca 0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ti6 h VAL 307 Cb 0.68 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1ti6 h VAL 307 CO 0.02 0.21 0.00 0.18 0.02 0.00 0.00 177.57 178.00 1ti6 n LEU 308 N -4.48 0.00 -0.05 2.57 4.77 -0.08 -1.87 117.00 117.85 1ti6 n LEU 308 Ca 0.14 0.18 -0.01 0.00 -0.03 0.00 0.00 56.01 56.29 1ti6 n LEU 308 Cb 0.17 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1ti6 n LEU 308 CO 0.33 -0.04 -0.01 0.61 -1.33 0.00 0.00 177.39 176.96 1ti6 n GLY 309 N 0.70 0.47 0.27 -0.72 0.00 0.28 -4.20 105.19 101.99 1ti6 n GLY 309 Ca 0.14 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 0.67 0.93 0.09 1.61 1.57 -1.26 0.07 116.57 120.25 1ti6 h LYS 310 Ca -0.01 -0.31 -0.28 0.00 -1.87 0.00 0.00 60.65 58.17 1ti6 h LYS 310 Cb 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ti6 h LYS 310 CO 0.02 0.96 -1.42 1.79 -0.57 0.00 0.00 179.45 180.24 1ti6 h THR 311 N 0.80 1.27 -0.01 -0.16 1.35 -1.85 -3.37 112.91 110.94 1ti6 h THR 311 Ca 0.14 -2.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 1ti6 h THR 311 Cb 0.56 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1ti6 h THR 311 CO 0.03 0.82 -0.55 -0.90 -0.25 0.00 0.00 175.52 174.67 1ti6 n ASP 312 N -3.41 1.21 0.00 5.36 3.85 -1.25 -4.99 116.55 117.31 1ti6 n ASP 312 Ca -0.13 -1.10 0.00 0.00 -0.71 0.00 0.00 54.79 52.85 1ti6 n ASP 312 Cb 1.02 0.74 0.00 0.00 -1.35 0.00 0.00 41.12 41.53 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 1.28 0.73 2.84 6.12 0.00 0.00 -5.02 105.19 111.14 1ti6 n GLY 313 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.69 1.51 0.25 2.61 2.01 -1.19 -4.98 115.64 113.15 1ti6 s THR 314 Ca 0.00 -1.98 -0.31 0.00 0.31 0.00 0.00 61.69 59.71 1ti6 s THR 314 Cb 0.00 -2.11 -0.12 0.00 0.01 0.00 0.00 72.50 70.28 1ti6 s THR 314 CO 0.00 -0.69 1.68 -2.84 -0.69 0.00 0.00 174.62 172.08 1ti6 s PRO 315 N 1.10 4.12 -1.50 4.92 0.02 -1.26 -4.06 135.00 138.34 1ti6 s PRO 315 Ca 0.12 2.61 -0.11 0.00 0.02 0.00 0.00 61.00 63.64 1ti6 s PRO 315 Cb -0.19 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.28 1ti6 s PRO 315 CO -0.15 -0.71 2.53 1.63 -0.33 0.00 0.00 177.00 179.97 1ti6 n LYS 316 N 3.23 3.48 -1.44 5.54 4.76 -0.78 -4.86 118.16 128.09 1ti6 n LYS 316 Ca 0.13 -2.61 -0.30 0.00 -2.87 0.00 0.00 58.31 52.66 1ti6 n LYS 316 Cb 0.36 -2.97 0.12 0.00 -1.84 0.00 0.00 35.03 30.69 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 2.01 2.71 0.39 -0.18 -4.23 -1.26 -3.67 115.64 111.42 1ti6 s THR 317 Ca 0.57 0.23 0.13 0.00 -1.18 0.00 0.00 61.69 61.44 1ti6 s THR 317 Cb 0.16 -2.90 0.12 0.00 1.34 0.00 0.00 72.50 71.22 1ti6 s THR 317 CO -0.07 -0.30 1.87 0.00 -0.54 0.00 0.00 174.62 175.58 1ti6 h GLU 319 N 0.02 0.90 -0.78 0.00 3.07 -1.92 0.68 114.58 116.55 1ti6 h GLU 319 Ca 0.00 -0.44 -0.03 0.00 -0.50 0.00 0.00 59.36 58.40 1ti6 h GLU 319 Cb 0.55 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.42 1ti6 h GLU 319 CO 0.04 1.09 0.38 2.35 -1.40 0.00 0.00 179.01 181.47 1ti6 h TRP 320 N 0.71 1.11 -0.16 4.33 7.01 -1.79 -2.04 115.95 125.13 1ti6 h TRP 320 Ca 0.08 -0.05 -0.11 0.00 2.11 0.00 0.00 58.89 60.92 1ti6 h TRP 320 Cb 0.87 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1ti6 h TRP 320 CO 0.06 0.81 -0.36 0.00 -2.79 0.00 0.00 178.44 176.16 1ti6 h ALA 321 N 1.20 1.09 -0.35 2.65 0.00 -0.92 -2.64 119.26 120.29 1ti6 h ALA 321 Ca 0.27 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1ti6 h ALA 321 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ti6 h ALA 321 CO -0.04 0.58 -0.03 1.49 0.00 0.00 0.00 179.25 181.26 1ti6 h GLU 322 N 0.28 0.64 0.00 0.00 4.81 -0.44 0.13 114.58 120.01 1ti6 h GLU 322 Ca 0.03 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1ti6 h GLU 322 Cb 0.78 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1ti6 h GLU 322 CO 0.06 0.77 -0.14 1.49 -0.73 0.00 0.00 179.01 180.46 1ti6 h GLU 323 N 0.45 0.00 0.13 1.92 4.81 -1.25 0.60 114.58 121.23 1ti6 h GLU 323 Ca 0.10 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.15 1ti6 h GLU 323 Cb 0.50 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.90 1ti6 h GLU 323 CO 0.02 0.14 -0.79 0.93 -0.73 0.00 0.00 179.01 178.59 1ti6 h GLU 324 N 0.00 0.27 0.00 1.92 4.39 -1.14 -3.41 114.58 116.61 1ti6 h GLU 324 Ca -0.00 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1ti6 h GLU 324 Cb 0.25 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1ti6 h GLU 324 CO 0.02 1.22 -1.87 -1.13 -1.16 0.00 0.00 179.01 176.09 1ti6 n SER 325 N -4.15 0.54 0.00 1.42 3.41 0.01 -4.78 113.62 110.06 1ti6 n SER 325 Ca -0.14 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1ti6 n SER 325 Cb 0.80 1.87 0.00 0.00 -0.26 0.00 0.00 64.21 66.62 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 1.39 1.30 3.69 5.00 0.00 0.21 -1.61 105.19 115.17 1ti6 n GLY 326 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.06 4.98 0.02 1.61 1.01 -1.26 -4.99 120.40 118.71 1ti6 s VAL 327 Ca 0.00 1.47 -0.38 0.00 0.00 0.00 0.00 61.98 63.07 1ti6 s VAL 327 Cb 0.00 -4.06 -0.17 0.00 0.00 0.00 0.00 36.38 32.15 1ti6 s VAL 327 CO 0.00 0.15 1.36 -2.65 0.00 0.00 0.00 175.10 173.96 1ti6 n PRO 328 N 4.49 0.98 -0.22 2.72 -0.02 -1.26 -4.08 135.00 137.60 1ti6 n PRO 328 Ca 0.01 0.36 0.01 0.00 -2.02 0.00 0.00 63.50 61.85 1ti6 n PRO 328 Cb 0.50 -1.98 0.12 0.00 -0.02 0.00 0.00 33.50 32.12 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 4.71 0.87 -1.00 3.55 0.00 -1.94 -1.96 119.26 123.50 1ti6 h ALA 329 Ca -0.48 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1ti6 h ALA 329 Cb 1.35 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1ti6 h ALA 329 CO 0.79 -0.15 0.65 0.00 0.00 0.00 0.00 179.25 180.54 1ti6 h GLU 331 N 1.28 0.81 -0.32 0.00 5.08 -1.75 -0.54 114.58 119.15 1ti6 h GLU 331 Ca 0.39 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ti6 h GLU 331 Cb -0.04 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1ti6 h GLU 331 CO -0.11 1.05 0.19 0.82 -1.00 0.00 0.00 179.01 179.96 1ti6 h ILE 332 N 0.67 1.12 -0.48 3.13 2.04 -0.94 -0.39 117.51 122.65 1ti6 h ILE 332 Ca 0.06 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 1ti6 h ILE 332 Cb 0.95 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1ti6 h ILE 332 CO 0.09 0.11 -0.03 -0.09 0.00 0.00 0.00 178.15 178.23 1ti6 h ARG 333 N 0.41 0.83 -0.46 2.37 2.43 -1.16 -0.84 114.38 117.95 1ti6 h ARG 333 Ca 0.12 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1ti6 h ARG 333 Cb 0.02 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1ti6 h ARG 333 CO -0.02 0.85 0.17 0.00 -1.51 0.00 0.00 179.97 179.45 1ti6 h ALA 334 N 1.20 0.61 -0.55 2.80 0.00 -0.72 -0.86 119.26 121.75 1ti6 h ALA 334 Ca 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ti6 h ALA 334 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ti6 h ALA 334 CO 0.03 0.23 0.19 1.25 0.00 0.00 0.00 179.25 180.94 1ti6 h LEU 335 N 0.61 0.78 -0.23 0.00 5.85 -0.83 -1.49 115.31 120.01 1ti6 h LEU 335 Ca 0.15 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1ti6 h LEU 335 Cb 0.23 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1ti6 h LEU 335 CO -0.01 0.77 -0.02 0.00 -0.34 0.00 0.00 178.44 178.84 1ti6 h ALA 336 N 1.04 0.18 -0.50 1.25 0.00 -0.78 0.13 119.26 120.60 1ti6 h ALA 336 Ca 0.18 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1ti6 h ALA 336 Cb 0.25 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ti6 h ALA 336 CO -0.01 -0.44 0.07 0.00 0.00 0.00 0.00 179.25 178.87 1ti6 h ARG 337 N 0.05 0.83 -0.41 0.00 3.08 -1.02 -1.93 114.38 114.98 1ti6 h ARG 337 Ca 0.11 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1ti6 h ARG 337 Cb 0.15 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1ti6 h ARG 337 CO -0.20 0.83 0.07 0.37 -1.07 0.00 0.00 179.97 179.98 1ti6 h GLN 338 N 0.71 0.67 -0.63 0.04 5.75 -1.01 -2.58 115.11 118.05 1ti6 h GLN 338 Ca 0.15 -0.18 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 1ti6 h GLN 338 Cb 0.41 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.83 1ti6 h GLN 338 CO 0.01 0.72 0.33 2.35 -2.65 0.00 0.00 178.83 179.59 1ti6 h TRP 339 N 0.52 0.60 -0.44 3.99 2.91 -0.64 -1.00 115.95 121.89 1ti6 h TRP 339 Ca 0.12 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.14 1ti6 h TRP 339 Cb 0.37 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.82 1ti6 h TRP 339 CO 0.03 0.27 0.15 0.00 -1.03 0.00 0.00 178.44 177.86 1ti6 h ALA 340 N 1.35 0.57 0.00 2.65 0.00 -1.17 -3.25 119.26 119.41 1ti6 h ALA 340 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ti6 h ALA 340 Cb 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ti6 h ALA 340 CO -0.20 0.20 -0.46 0.36 0.00 0.00 0.00 179.25 179.15 1ti6 n LYS 341 N -4.58 0.13 -4.18 0.00 2.85 -0.99 -4.91 118.16 106.48 1ti6 n LYS 341 Ca 0.00 0.05 -0.23 0.00 -1.05 0.00 0.00 58.31 57.08 1ti6 n LYS 341 Cb 0.17 -1.59 -0.06 0.00 -0.65 0.00 0.00 35.03 32.90 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 -3.07 2.65 -0.65 -1.58 -0.14 -0.41 -5.03 119.74 111.51 1ti6 s LYS 342 Ca 0.09 -1.16 -0.27 0.00 -1.36 0.00 0.00 55.97 53.28 1ti6 s LYS 342 Cb 0.16 -2.42 -0.00 0.00 -1.68 0.00 0.00 37.83 33.89 1ti6 s LYS 342 CO 0.68 0.40 1.66 -0.80 -0.76 0.00 0.00 175.35 176.53 1ti6 s ASN 343 N -3.61 5.59 -0.14 2.83 0.01 -1.26 -4.84 114.94 113.52 1ti6 s ASN 343 Ca 0.32 0.09 -0.01 0.00 -0.71 0.00 0.00 52.86 52.54 1ti6 s ASN 343 Cb -0.08 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 1ti6 s ASN 343 CO 0.22 -2.17 -0.11 -0.89 -1.51 0.00 0.00 177.10 172.64 1ti6 s THR 344 N 7.87 3.22 -0.14 1.60 2.01 -1.06 -1.38 115.64 127.77 1ti6 s THR 344 Ca 0.56 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.90 1ti6 s THR 344 Cb -0.11 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1ti6 s THR 344 CO 0.19 0.51 0.11 -0.31 -0.69 0.00 0.00 174.62 174.43 1ti6 s TYR 345 N 0.41 3.46 -0.45 4.92 1.51 -0.25 -3.88 117.35 123.07 1ti6 s TYR 345 Ca -0.09 0.39 -0.17 0.00 -1.01 0.00 0.00 57.07 56.19 1ti6 s TYR 345 Cb -0.15 -1.97 0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1ti6 s TYR 345 CO 0.05 0.55 0.42 -1.17 -1.11 0.00 0.00 175.55 174.29 1ti6 s LEU 346 N -0.59 5.14 -1.21 -1.29 2.96 -0.12 -1.47 118.68 122.10 1ti6 s LEU 346 Ca 0.12 -0.94 -0.13 0.00 -0.22 0.00 0.00 54.13 52.96 1ti6 s LEU 346 Cb -0.12 -2.29 0.18 0.00 0.50 0.00 0.00 46.19 44.46 1ti6 s LEU 346 CO 0.02 -0.62 1.45 0.00 -1.32 0.00 0.00 176.35 175.89 1ti6 n ALA 347 N 5.48 4.07 -2.60 5.97 0.00 0.38 -1.57 120.51 132.25 1ti6 n ALA 347 Ca -0.09 -4.30 -0.42 0.00 0.00 0.00 0.00 53.44 48.63 1ti6 n ALA 347 Cb 0.46 -2.99 -0.04 0.00 0.00 0.00 0.00 19.45 16.88 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 1.15 3.43 0.00 0.00 0.00 -1.26 -1.23 121.76 123.85 1ti6 s ALA 348 Ca 0.41 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1ti6 s ALA 348 Cb -0.02 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1ti6 s ALA 348 CO -0.00 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 174.64 1ti6 n GLY 349 N 4.37 -1.83 0.09 0.00 0.00 -0.67 -0.57 105.19 106.58 1ti6 n GLY 349 Ca 0.06 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 0.00 0.08 -0.02 0.00 -1.72 -3.36 103.07 98.05 1ti6 h GLY 350 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1ti6 h GLY 350 CO 0.00 0.00 -2.35 -0.10 0.00 0.00 0.00 176.54 174.09 1ti6 n LEU 351 N -2.24 0.72 0.00 3.11 7.94 -1.26 -3.85 117.00 121.43 1ti6 n LEU 351 Ca 0.04 0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1ti6 n LEU 351 Cb 0.44 0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.55 1ti6 n LEU 351 CO 0.33 0.59 0.00 0.61 -1.11 0.00 0.00 177.39 177.81 1ti6 n GLY 352 N 1.84 0.75 0.00 -3.96 0.00 -1.25 -4.50 105.19 98.08 1ti6 n GLY 352 Ca -0.34 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.04 7.00 -0.02 0.00 0.26 -4.09 105.19 108.30 1ti6 n GLY 353 Ca 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.17 -0.05 0.00 1.61 8.01 -1.26 -3.70 117.44 121.88 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 0.09 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 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 2.17 0.39 6.99 0.00 -1.26 -4.11 105.19 109.37 1ti6 n GLY 355 Ca 0.00 -1.40 0.18 0.00 0.00 0.00 0.00 46.02 44.80 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 0.69 1.51 -0.02 0.00 -1.94 -0.16 103.07 103.14 1ti6 h GLY 356 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.22 1ti6 h GLY 356 CO 0.00 0.02 0.19 0.00 0.00 0.00 0.00 176.54 176.76 1ti6 h ALA 357 N 1.63 1.83 0.00 3.60 0.00 -1.88 -1.91 119.26 122.53 1ti6 h ALA 357 Ca 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1ti6 h ALA 357 Cb 1.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ti6 h ALA 357 CO -0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 179.25 178.78 1ti6 n ARG 359 N -3.13 3.08 -4.03 0.00 1.85 -0.72 -0.06 116.66 113.65 1ti6 n ARG 359 Ca 0.02 -4.61 -0.11 0.00 -1.00 0.00 0.00 57.85 52.16 1ti6 n ARG 359 Cb 0.44 -2.36 -0.05 0.00 -1.05 0.00 0.00 32.46 29.45 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 -2.37 0.12 0.02 2.89 0.00 -1.25 -1.39 121.76 119.79 1ti6 s ALA 360 Ca 0.35 -1.12 0.31 0.00 0.00 0.00 0.00 51.96 51.50 1ti6 s ALA 360 Cb 0.08 1.09 1.50 0.00 0.00 0.00 0.00 23.12 25.79 1ti6 s ALA 360 CO -0.00 -0.83 1.93 0.66 0.00 0.00 0.00 175.76 177.53 1ti6 h SER 361 N 2.22 0.00 -0.39 0.00 4.64 -1.85 -1.01 113.55 117.16 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 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 1ti6 n HIS 362 N -2.66 0.65 -0.33 4.77 1.44 -1.26 -4.48 115.22 113.34 1ti6 n HIS 362 Ca -0.00 -0.56 0.12 0.00 -2.01 0.00 0.00 57.72 55.27 1ti6 n HIS 362 Cb 0.15 -0.08 0.31 0.00 0.12 0.00 0.00 29.99 30.49 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 2.32 1.69 0.78 -1.39 0.00 -1.27 -0.95 103.07 104.25 1ti6 h GLY 363 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1ti6 h GLY 363 CO 0.05 -0.12 0.00 -2.22 0.00 0.00 0.00 176.54 174.25 1ti6 h ILE 364 N 0.65 1.25 0.00 2.60 2.04 -1.80 -2.23 117.51 120.02 1ti6 h ILE 364 Ca 0.56 -0.82 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 1ti6 h ILE 364 Cb 0.92 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1ti6 h ILE 364 CO -0.41 0.24 -0.40 -0.33 0.00 0.00 0.00 178.15 177.25 1ti6 h GLU 365 N -0.00 0.00 -0.05 2.37 4.39 -1.83 -2.07 114.58 117.38 1ti6 h GLU 365 Ca 0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1ti6 h GLU 365 Cb 0.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1ti6 h GLU 365 CO 0.01 0.40 -0.02 2.35 -1.16 0.00 0.00 179.01 180.59 1ti6 h TRP 366 N 0.00 0.12 -0.56 4.33 7.01 -1.11 0.15 115.95 125.88 1ti6 h TRP 366 Ca -0.00 -0.03 0.01 0.00 2.11 0.00 0.00 58.89 60.98 1ti6 h TRP 366 Cb 0.93 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.93 1ti6 h TRP 366 CO 0.00 0.47 0.36 0.00 -2.79 0.00 0.00 178.44 176.47 1ti6 h ALA 367 N 0.64 0.72 0.00 2.65 0.00 -1.31 -0.09 119.26 121.87 1ti6 h ALA 367 Ca 0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1ti6 h ALA 367 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ti6 h ALA 367 CO 0.01 0.11 -0.45 0.00 0.00 0.00 0.00 179.25 178.92 1ti6 h ARG 368 N 0.72 0.00 -0.37 0.00 3.08 -1.35 -2.11 114.38 114.35 1ti6 h ARG 368 Ca 0.22 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 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 -0.07 0.45 -0.23 0.78 -1.07 0.00 0.00 179.97 179.83 1ti6 h GLY 369 N 1.35 0.80 1.04 0.04 0.00 0.22 0.34 103.07 106.87 1ti6 h GLY 369 Ca -0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 47.33 46.53 1ti6 h GLY 369 CO 0.06 0.63 -0.12 -0.33 0.00 0.00 0.00 176.54 176.77 1ti6 h MET 370 N 0.65 0.89 -0.56 4.80 2.86 -0.66 -1.98 114.93 120.93 1ti6 h MET 370 Ca 0.09 -0.35 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 1ti6 h MET 370 Cb 0.74 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 1ti6 h MET 370 CO 0.06 1.00 0.10 0.82 1.06 0.00 0.00 176.91 179.94 1ti6 h ILE 371 N 0.73 1.25 -0.39 -1.22 2.04 -1.22 -1.95 117.51 116.77 1ti6 h ILE 371 Ca 0.11 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.02 1ti6 h ILE 371 Cb 0.67 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1ti6 h ILE 371 CO 0.05 0.35 0.25 0.00 0.00 0.00 0.00 178.15 178.80 1ti6 h ALA 372 N 1.00 0.49 -0.29 1.87 0.00 -0.74 0.02 119.26 121.62 1ti6 h ALA 372 Ca 0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1ti6 h ALA 372 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ti6 h ALA 372 CO 0.01 -0.06 -0.02 -0.07 0.00 0.00 0.00 179.25 179.11 1ti6 h LEU 373 N 0.51 0.52 -0.95 0.00 4.07 -1.27 -1.11 115.31 117.07 1ti6 h LEU 373 Ca 0.14 -0.33 -0.03 0.00 0.08 0.00 0.00 57.88 57.75 1ti6 h LEU 373 Cb -0.05 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.51 1ti6 h LEU 373 CO -0.04 0.72 0.40 0.00 -1.08 0.00 0.00 178.44 178.44 1ti6 h ALA 374 N 0.82 1.18 0.02 1.53 0.00 -1.24 -2.60 119.26 118.97 1ti6 h ALA 374 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ti6 h ALA 374 Cb 0.47 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ti6 h ALA 374 CO 0.02 0.63 -0.01 1.15 0.00 0.00 0.00 179.25 181.04 1ti6 h THR 375 N 1.14 1.18 -0.26 0.00 2.02 -0.85 -1.40 112.91 114.73 1ti6 h THR 375 Ca 0.28 -0.61 0.08 0.00 0.77 0.00 0.00 66.41 66.92 1ti6 h THR 375 Cb 0.10 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1ti6 h THR 375 CO -0.04 0.16 0.23 0.24 0.37 0.00 0.00 175.52 176.48 1ti6 h MET 376 N -0.29 0.00 -0.64 6.66 2.07 -1.02 0.35 114.93 122.06 1ti6 h MET 376 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1ti6 h MET 376 Cb 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.01 1ti6 h MET 376 CO 0.00 0.00 0.00 1.04 1.07 0.00 0.00 176.91 179.02 1ti6 n GLN 377 N -4.11 2.73 -2.59 1.72 1.13 -1.00 -0.69 117.38 114.56 1ti6 n GLN 377 Ca 0.03 -2.34 -0.08 0.00 -1.94 0.00 0.00 57.00 52.68 1ti6 n GLN 377 Cb 0.38 -1.58 0.04 0.00 0.11 0.00 0.00 30.24 29.18 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 1.38 0.07 3.65 1.08 0.00 0.11 -4.82 105.19 106.66 1ti6 n GLY 378 Ca 0.22 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.39 1.79 0.00 1.61 0.00 -0.55 -2.35 117.12 115.24 1ti6 n MET 379 Ca -0.12 0.63 0.00 0.00 0.00 0.00 0.00 57.70 58.21 1ti6 n MET 379 Cb 0.57 -2.15 0.00 0.00 0.00 0.00 0.00 33.22 31.64 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 1.28 2.02 3.83 3.17 0.00 -0.04 -4.46 105.19 111.01 1ti6 n GLY 380 Ca 0.08 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 3.21 0.12 1.61 -2.85 -0.99 -4.00 119.74 116.84 1ti6 s LYS 381 Ca 0.00 0.91 -0.34 0.00 -1.00 0.00 0.00 55.97 55.54 1ti6 s LYS 381 Cb 0.00 -2.03 -0.13 0.00 -2.06 0.00 0.00 37.83 33.61 1ti6 s LYS 381 CO 0.00 -0.88 1.65 -2.30 0.10 0.00 0.00 175.35 173.92 1ti6 n PRO 382 N -2.88 2.24 -0.83 1.78 -0.02 -1.26 -1.84 135.00 132.20 1ti6 n PRO 382 Ca 0.07 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1ti6 n PRO 382 Cb 0.54 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 3.66 0.83 2.80 -1.23 0.00 -1.26 -5.01 105.19 104.98 1ti6 n GLY 383 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.74 1.04 0.07 1.61 0.15 -0.77 -2.55 113.70 110.51 1ti6 s SER 384 Ca 0.00 0.12 -0.26 0.00 0.70 0.00 0.00 55.95 56.51 1ti6 s SER 384 Cb 0.00 0.26 0.09 0.00 -1.71 0.00 0.00 66.02 64.66 1ti6 s SER 384 CO 0.00 -0.27 1.18 0.21 1.20 0.00 0.00 173.24 175.56 1ti6 s ASN 385 N 2.29 -0.00 -0.30 5.45 3.84 -1.25 -0.86 114.94 124.11 1ti6 s ASN 385 Ca 0.04 -0.39 -0.11 0.00 0.21 0.00 0.00 52.86 52.61 1ti6 s ASN 385 Cb -0.13 0.29 -0.03 0.00 -0.55 0.00 0.00 41.25 40.83 1ti6 s ASN 385 CO -0.08 -0.58 0.18 -0.32 -2.79 0.00 0.00 177.10 173.52 1ti6 s MET 386 N -2.13 3.65 -0.20 0.43 -2.45 -1.26 -0.95 119.30 116.40 1ti6 s MET 386 Ca 0.25 -0.52 -0.10 0.00 -1.25 0.00 0.00 55.69 54.07 1ti6 s MET 386 Cb -0.01 -3.64 0.07 0.00 1.25 0.00 0.00 34.83 32.50 1ti6 s MET 386 CO 0.01 -0.31 0.46 -0.46 1.05 0.00 0.00 175.02 175.78 1ti6 s TRP 387 N 1.70 -0.73 -1.91 4.11 -0.00 -0.61 -4.89 118.94 116.60 1ti6 s TRP 387 Ca 0.06 1.50 0.22 0.00 -0.00 0.00 0.00 56.10 57.88 1ti6 s TRP 387 Cb -0.16 0.35 0.66 0.00 -0.00 0.00 0.00 33.47 34.32 1ti6 s TRP 387 CO 0.09 -0.41 1.55 0.43 -0.00 0.00 0.00 176.95 178.62 1ti6 n SER 388 N 4.50 4.06 0.00 5.86 7.64 -1.26 -3.01 113.62 131.41 1ti6 n SER 388 Ca -0.20 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.64 1ti6 n SER 388 Cb 0.55 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 1.63 0.00 -0.06 0.44 -2.24 -1.26 -4.84 114.28 107.95 1ti6 n THR 389 Ca 0.25 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.92 1ti6 n THR 389 Cb 0.65 -0.29 -0.15 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.08 1.52 -3.52 4.28 -2.24 -1.26 -4.88 114.28 106.10 1ti6 n THR 390 Ca 0.00 -0.79 -0.13 0.00 -2.27 0.00 0.00 64.05 60.86 1ti6 n THR 390 Cb 0.04 -0.87 0.01 0.00 -2.10 0.00 0.00 70.33 67.41 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 -2.97 1.00 -0.28 -0.78 6.02 -1.26 -4.18 117.38 114.94 1ti6 n GLN 391 Ca -0.28 -1.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.99 1ti6 n GLN 391 Cb 1.09 0.11 0.00 0.00 1.02 0.00 0.00 30.24 32.46 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 1.54 0.71 3.74 1.08 0.00 -1.23 -4.38 105.19 106.66 1ti6 n GLY 392 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.37 2.70 0.00 1.61 1.01 -1.17 -1.90 120.40 120.27 1ti6 s VAL 393 Ca 0.00 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.55 1ti6 s VAL 393 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.91 1ti6 s VAL 393 CO 0.00 0.09 1.68 -2.65 0.00 0.00 0.00 175.10 174.23 1ti6 n PRO 394 N 2.35 0.80 -1.67 2.72 -0.02 -1.26 -4.66 135.00 133.25 1ti6 n PRO 394 Ca 0.07 -0.35 -0.30 0.00 -2.02 0.00 0.00 63.50 60.89 1ti6 n PRO 394 Cb 0.40 -1.63 0.07 0.00 -0.02 0.00 0.00 33.50 32.32 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 2.79 -0.92 2.45 1.43 -1.26 -4.77 118.68 118.39 1ti6 s LEU 395 Ca 0.24 1.29 -0.24 0.00 -1.03 0.00 0.00 54.13 54.39 1ti6 s LEU 395 Cb 0.11 -4.02 -0.01 0.00 0.03 0.00 0.00 46.19 42.30 1ti6 s LEU 395 CO 0.00 -1.66 1.77 -0.62 0.23 0.00 0.00 176.35 176.07 1ti6 s ASP 396 N -4.05 5.61 0.48 2.29 3.68 -1.26 -4.79 116.67 118.64 1ti6 s ASP 396 Ca 0.59 -0.87 0.33 0.00 2.13 0.00 0.00 52.55 54.73 1ti6 s ASP 396 Cb -0.13 -2.56 1.64 0.00 -1.45 0.00 0.00 42.92 40.41 1ti6 s ASP 396 CO 0.54 -2.31 1.99 1.88 0.13 0.00 0.00 175.17 177.40 1ti6 h TYR 397 N 10.94 0.00 0.00 -5.34 0.99 -1.96 -2.33 116.97 119.27 1ti6 h TYR 397 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1ti6 h TYR 397 Cb 1.01 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.74 1ti6 h TYR 397 CO 1.23 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 180.32 1ti6 h GLU 398 N 0.00 0.00 -6.46 4.88 5.08 -2.02 -3.44 114.58 112.62 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 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1ti6 h GLU 398 CO 0.00 0.00 0.33 0.12 -1.00 0.00 0.00 179.01 178.46 1ti6 s PHE 399 N -3.19 3.74 -0.22 4.33 5.36 -0.88 -5.03 117.98 122.09 1ti6 s PHE 399 Ca 0.08 1.71 -0.07 0.00 -0.96 0.00 0.00 56.93 57.69 1ti6 s PHE 399 Cb 0.07 -3.04 -0.03 0.00 -0.34 0.00 0.00 43.02 39.68 1ti6 s PHE 399 CO 0.64 0.13 0.05 -0.47 -1.46 0.00 0.00 175.22 174.11 1ti6 s TYR 400 N 0.39 3.10 -0.10 10.12 5.04 -1.26 -5.04 117.35 129.59 1ti6 s TYR 400 Ca 0.47 -0.35 -0.04 0.00 -2.44 0.00 0.00 57.07 54.71 1ti6 s TYR 400 Cb -0.22 -2.17 0.05 0.00 0.35 0.00 0.00 41.96 39.97 1ti6 s TYR 400 CO 0.28 -0.24 0.22 0.12 -1.34 0.00 0.00 175.55 174.59 1ti6 s PHE 401 N 1.24 -0.31 0.36 4.97 5.36 -1.26 -1.75 117.98 126.58 1ti6 s PHE 401 Ca 0.04 0.78 -0.28 0.00 -0.96 0.00 0.00 56.93 56.51 1ti6 s PHE 401 Cb -0.15 -0.06 -0.11 0.00 -0.34 0.00 0.00 43.02 42.37 1ti6 s PHE 401 CO 0.03 -0.28 1.46 -2.14 -1.46 0.00 0.00 175.22 172.83 1ti6 s PRO 402 N 1.86 4.16 0.53 10.12 0.02 -1.26 -5.05 135.00 145.37 1ti6 s PRO 402 Ca -0.03 2.50 -0.01 0.00 0.02 0.00 0.00 61.00 63.48 1ti6 s PRO 402 Cb -0.11 -2.99 0.02 0.00 0.02 0.00 0.00 34.50 31.43 1ti6 s PRO 402 CO -0.08 -0.47 0.77 0.20 -0.33 0.00 0.00 177.00 177.10 1ti6 s GLY 403 N -0.18 1.68 0.54 0.52 0.00 -1.26 -4.78 107.32 103.84 1ti6 s GLY 403 Ca 0.52 -1.09 0.20 0.00 0.00 0.00 0.00 44.72 44.36 1ti6 s GLY 403 CO 0.60 -0.84 2.17 0.10 0.00 0.00 0.00 173.10 175.13 1ti6 h TYR 404 N 0.10 0.00 0.00 1.90 -0.00 -1.40 -2.30 116.97 115.26 1ti6 h TYR 404 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 1ti6 h TYR 404 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.01 1ti6 h TYR 404 CO 0.41 0.02 0.00 0.00 -0.00 0.00 0.00 178.16 178.59 1ti6 n ALA 405 N -2.46 1.48 1.57 0.10 0.00 -0.53 -2.86 120.51 117.81 1ti6 n ALA 405 Ca -0.03 0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.46 1ti6 n ALA 405 Cb 0.10 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.89 1.19 0.00 0.00 1.02 -0.87 -0.56 120.64 119.53 1ti6 n GLU 406 Ca 0.02 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1ti6 n GLU 406 Cb 0.15 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.46 3.20 7.00 0.62 0.00 -1.14 -2.98 105.19 112.36 1ti6 n GLY 407 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.58 3.62 0.32 -0.02 0.00 -1.26 -1.53 105.19 104.74 1ti6 n GLY 408 Ca 0.00 0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.11 -0.61 -5.35 -1.26 -4.07 119.36 108.17 1ti6 n ILE 409 Ca 0.00 -0.17 -0.22 0.00 -0.27 0.00 0.00 62.75 62.09 1ti6 n ILE 409 Cb 0.00 0.19 -0.15 0.00 -1.74 0.00 0.00 39.64 37.94 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 1.57 0.67 -0.73 7.28 4.64 -1.36 -3.43 113.55 122.19 1ti6 h SER 410 Ca 0.00 -0.82 -0.31 0.00 -0.47 0.00 0.00 61.79 60.18 1ti6 h SER 410 Cb 0.36 -0.22 -0.12 0.00 -0.31 0.00 0.00 62.40 62.11 1ti6 h SER 410 CO 0.00 1.67 -0.29 0.61 -0.87 0.00 0.00 176.83 177.95 1ti6 n GLY 411 N 1.74 1.56 3.56 -0.77 0.00 -1.25 0.03 105.19 110.06 1ti6 n GLY 411 Ca -0.19 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.82 5.65 0.10 1.61 -1.08 -1.26 -4.67 116.67 114.19 1ti6 s ASP 412 Ca 0.00 0.25 0.23 0.00 -0.52 0.00 0.00 52.55 52.51 1ti6 s ASP 412 Cb 0.00 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.85 1ti6 s ASP 412 CO 0.00 -2.10 1.72 0.00 0.52 0.00 0.00 175.17 175.31 1ti6 n GLU 414 N -1.81 0.70 -0.08 0.00 2.13 -1.26 -4.52 120.64 115.79 1ti6 n GLU 414 Ca 0.05 -0.14 0.03 0.00 0.66 0.00 0.00 57.16 57.76 1ti6 n GLU 414 Cb 0.29 -1.49 0.07 0.00 0.27 0.00 0.00 31.44 30.58 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 -2.35 2.41 -3.94 4.31 3.02 -1.23 -5.01 115.26 112.48 1ti6 n ASN 415 Ca -0.11 -1.97 -0.09 0.00 -0.03 0.00 0.00 54.58 52.37 1ti6 n ASN 415 Cb 0.70 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.70 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 -0.98 -0.09 -0.16 6.41 1.04 -0.98 -5.01 113.70 113.93 1ti6 s SER 416 Ca 0.11 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.75 1ti6 s SER 416 Cb 0.06 0.55 0.33 0.00 0.10 0.00 0.00 66.02 67.05 1ti6 s SER 416 CO 0.08 -1.06 1.25 0.00 0.98 0.00 0.00 173.24 174.48 1ti6 n ALA 417 N -0.33 3.53 0.16 5.32 0.00 0.27 -4.39 120.51 125.07 1ti6 n ALA 417 Ca -0.05 -1.09 0.09 0.00 0.00 0.00 0.00 53.44 52.40 1ti6 n ALA 417 Cb 0.62 -1.13 0.60 0.00 0.00 0.00 0.00 19.45 19.54 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 2.17 2.01 0.00 0.00 0.00 -1.72 -2.68 119.26 119.04 1ti6 h ALA 418 Ca 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ti6 h ALA 418 Cb 1.53 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1ti6 h ALA 418 CO 0.37 -0.04 -0.17 0.78 0.00 0.00 0.00 179.25 180.18 1ti6 h GLY 419 N 0.12 0.00 0.95 0.00 0.00 -1.80 0.16 103.07 102.50 1ti6 h GLY 419 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ti6 h GLY 419 CO -0.01 0.00 0.14 -2.75 0.00 0.00 0.00 176.54 173.92 1ti6 h PHE 420 N 0.00 0.35 0.00 5.60 3.57 -1.84 -3.46 116.94 121.16 1ti6 h PHE 420 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1ti6 h PHE 420 Cb 0.43 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1ti6 h PHE 420 CO 0.00 0.29 0.00 1.17 -2.23 0.00 0.00 178.31 177.54 1ti6 n LYS 421 N -4.85 0.00 -0.15 1.11 4.81 -1.20 -5.01 118.16 112.87 1ti6 n LYS 421 Ca -0.02 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.36 1ti6 n LYS 421 Cb 0.07 -0.05 0.03 0.00 0.02 0.00 0.00 35.03 35.10 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 0.51 -0.80 5.64 3.57 -1.80 -2.85 116.94 121.21 1ti6 h PHE 422 Ca 0.00 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.66 1ti6 h PHE 422 Cb 0.00 -0.16 -0.10 0.00 2.79 0.00 0.00 35.95 38.49 1ti6 h PHE 422 CO 0.00 0.28 0.36 0.00 -2.23 0.00 0.00 178.31 176.72 1ti6 h ALA 423 N 1.22 1.16 0.00 2.41 0.00 -0.95 0.30 119.26 123.40 1ti6 h ALA 423 Ca 0.19 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1ti6 h ALA 423 Cb 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ti6 h ALA 423 CO -0.10 -0.17 -0.27 -1.49 0.00 0.00 0.00 179.25 177.22 1ti6 h TRP 424 N 0.51 0.00 0.12 0.00 4.06 -1.71 -1.34 115.95 117.59 1ti6 h TRP 424 Ca 0.44 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 61.08 1ti6 h TRP 424 Cb 0.65 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.80 1ti6 h TRP 424 CO -0.13 0.27 -1.58 0.00 -3.56 0.00 0.00 178.44 173.44 1ti6 h ARG 425 N 0.00 0.25 0.11 0.49 3.08 -0.80 -3.39 114.38 114.13 1ti6 h ARG 425 Ca -0.00 -0.43 -0.27 0.00 0.07 0.00 0.00 59.98 59.35 1ti6 h ARG 425 Cb 0.55 0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.77 1ti6 h ARG 425 CO 0.04 1.11 -1.20 1.98 -1.07 0.00 0.00 179.97 180.82 1ti6 h MET 426 N 0.07 0.31 -6.43 0.04 4.05 -0.36 -3.44 114.93 109.18 1ti6 h MET 426 Ca -0.26 -0.49 -0.67 0.00 -0.28 0.00 0.00 59.70 58.00 1ti6 h MET 426 Cb 2.02 0.17 -0.17 0.00 -0.80 0.00 0.00 31.60 32.83 1ti6 h MET 426 CO 0.16 1.21 -0.73 -0.06 0.23 0.00 0.00 176.91 177.72 1ti6 s PHE 427 N -2.76 2.79 -0.53 1.39 0.40 -0.52 -4.98 117.98 113.78 1ti6 s PHE 427 Ca -0.05 -0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1ti6 s PHE 427 Cb 0.07 -1.52 0.04 0.00 0.51 0.00 0.00 43.02 42.12 1ti6 s PHE 427 CO 0.88 0.38 0.65 -0.40 0.70 0.00 0.00 175.22 177.44 1ti6 n ASP 428 N 1.19 1.39 -1.52 1.36 5.68 -1.25 -4.72 116.55 118.70 1ti6 n ASP 428 Ca -0.14 -1.21 -0.18 0.00 -0.50 0.00 0.00 54.79 52.76 1ti6 n ASP 428 Cb 0.52 -0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.44 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 0.23 1.38 1.75 6.12 0.00 -1.25 -4.76 105.19 108.66 1ti6 n GLY 429 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.52 0.00 -0.00 1.61 5.02 -1.26 -4.98 118.16 116.02 1ti6 n LYS 430 Ca -0.19 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.12 1ti6 n LYS 430 Cb 0.61 -0.12 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 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 -2.91 0.00 -3.98 -0.18 -2.24 -1.26 -5.02 114.28 98.69 1ti6 n THR 431 Ca 0.00 -0.14 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 1ti6 n THR 431 Cb 0.08 0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.07 0.18 0.07 4.28 -1.32 -1.26 -5.08 115.64 110.43 1ti6 s THR 432 Ca -0.01 -0.06 0.05 0.00 -1.21 0.00 0.00 61.69 60.46 1ti6 s THR 432 Cb 0.02 -0.18 -0.03 0.00 -1.51 0.00 0.00 72.50 70.80 1ti6 s THR 432 CO 0.14 0.07 -0.13 -0.36 -2.21 0.00 0.00 174.62 172.12 1ti6 s PHE 433 N 0.17 1.15 0.96 9.09 0.40 -1.26 -3.80 117.98 124.70 1ti6 s PHE 433 Ca -0.01 -0.46 -0.13 0.00 -0.60 0.00 0.00 56.93 55.72 1ti6 s PHE 433 Cb -0.04 -0.65 0.17 0.00 0.51 0.00 0.00 43.02 43.01 1ti6 s PHE 433 CO -0.00 0.04 1.12 -2.14 0.70 0.00 0.00 175.22 174.94 1ti6 s PRO 434 N -1.71 0.72 -0.52 0.24 0.02 -1.26 -5.00 135.00 127.49 1ti6 s PRO 434 Ca -0.03 0.33 0.03 0.00 0.02 0.00 0.00 61.00 61.35 1ti6 s PRO 434 Cb -0.10 -1.79 0.15 0.00 0.02 0.00 0.00 34.50 32.78 1ti6 s PRO 434 CO 0.02 -2.49 0.32 0.45 -0.33 0.00 0.00 177.00 174.97 1ti6 s SER 435 N -3.83 3.84 0.62 2.53 0.15 0.10 -5.01 113.70 112.11 1ti6 s SER 435 Ca 0.65 -3.08 -0.11 0.00 0.70 0.00 0.00 55.95 54.11 1ti6 s SER 435 Cb -0.16 -1.25 -0.04 0.00 -1.71 0.00 0.00 66.02 62.86 1ti6 s SER 435 CO 0.55 -0.20 1.03 -2.16 1.20 0.00 0.00 173.24 173.66 1ti6 s PRO 436 N -0.29 3.58 -0.11 5.44 0.04 -1.26 -4.54 135.00 137.86 1ti6 s PRO 436 Ca 0.21 0.76 0.04 0.00 0.04 0.00 0.00 61.00 62.05 1ti6 s PRO 436 Cb -0.16 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1ti6 s PRO 436 CO -0.06 -0.59 -0.23 0.45 0.04 0.00 0.00 177.00 176.60 1ti6 s SER 437 N -4.16 3.08 0.00 6.66 0.15 -1.26 -4.75 113.70 113.42 1ti6 s SER 437 Ca 0.55 -0.57 0.21 0.00 0.70 0.00 0.00 55.95 56.84 1ti6 s SER 437 Cb -0.11 -1.41 0.55 0.00 -1.71 0.00 0.00 66.02 63.34 1ti6 s SER 437 CO 0.54 0.14 1.46 -0.46 1.20 0.00 0.00 173.24 176.12 1ti6 n ASN 438 N 3.66 3.33 -0.04 5.45 6.94 -1.26 -4.27 115.26 129.07 1ti6 n ASN 438 Ca -0.19 -1.98 -0.06 0.00 -0.02 0.00 0.00 54.58 52.33 1ti6 n ASN 438 Cb 0.53 -0.37 -0.04 0.00 -2.36 0.00 0.00 39.78 37.54 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 1.34 2.83 -3.79 -4.53 4.77 -1.26 -4.68 117.00 111.68 1ti6 n LEU 439 Ca 0.21 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1ti6 n LEU 439 Cb 0.54 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1ti6 n LEU 439 CO 0.15 0.61 2.32 -3.20 -1.33 0.00 0.00 177.39 175.94 1ti6 n ASN 440 N -2.79 4.53 -3.71 -1.43 5.15 -1.26 -1.76 115.26 113.99 1ti6 n ASN 440 Ca -0.15 -2.98 -0.10 0.00 -0.60 0.00 0.00 54.58 50.75 1ti6 n ASN 440 Cb 0.65 -1.56 -0.05 0.00 -0.53 0.00 0.00 39.78 38.28 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 1.73 0.09 0.28 -0.44 -1.32 -1.26 -4.84 115.64 109.88 1ti6 s THR 441 Ca 0.43 -0.77 0.02 0.00 -1.21 0.00 0.00 61.69 60.16 1ti6 s THR 441 Cb 0.12 -1.21 0.27 0.00 -1.51 0.00 0.00 72.50 70.16 1ti6 s THR 441 CO -0.04 -0.43 1.75 0.28 -2.21 0.00 0.00 174.62 173.98 1ti6 h SER 442 N 2.51 0.56 -0.02 8.08 0.02 -1.98 0.41 113.55 123.14 1ti6 h SER 442 Ca -0.34 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1ti6 h SER 442 Cb 1.24 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1ti6 h SER 442 CO 0.50 0.19 0.00 0.00 -1.14 0.00 0.00 176.83 176.38 1ti6 n ALA 443 N -2.41 2.63 -2.08 3.77 0.00 -1.26 -4.75 120.51 116.41 1ti6 n ALA 443 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ti6 n ALA 443 Cb 0.52 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 0.96 0.73 2.88 0.00 0.00 0.13 -5.04 105.19 104.85 1ti6 n GLY 444 Ca 0.19 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 4.06 0.05 0.17 1.61 0.74 -0.73 -4.84 119.66 120.72 1ti6 s GLN 445 Ca 0.00 0.30 -0.08 0.00 0.05 0.00 0.00 55.36 55.62 1ti6 s GLN 445 Cb 0.00 -0.18 -0.01 0.00 1.10 0.00 0.00 33.01 33.91 1ti6 s GLN 445 CO 0.00 -0.16 0.28 -3.38 -0.55 0.00 0.00 175.29 171.48 1ti6 s HIS 446 N 1.06 0.49 0.08 1.67 -3.43 -1.26 -4.01 115.29 109.88 1ti6 s HIS 446 Ca -0.08 -0.84 0.02 0.00 -0.80 0.00 0.00 55.06 53.36 1ti6 s HIS 446 Cb -0.11 -0.10 -0.03 0.00 -1.43 0.00 0.00 32.58 30.90 1ti6 s HIS 446 CO -0.05 -0.73 -0.08 0.96 -2.00 0.00 0.00 174.74 172.85 1ti6 s ILE 447 N -3.99 0.70 0.10 -5.38 -4.36 -0.76 -4.87 121.20 102.64 1ti6 s ILE 447 Ca 0.20 -1.56 -0.30 0.00 -0.26 0.00 0.00 60.65 58.72 1ti6 s ILE 447 Cb 0.03 -1.22 -0.06 0.00 1.25 0.00 0.00 42.46 42.46 1ti6 s ILE 447 CO 0.02 -0.62 1.20 -2.84 0.24 0.00 0.00 174.94 172.94 1ti6 s PRO 448 N -2.78 4.45 0.31 0.37 0.02 -1.26 -1.88 135.00 134.23 1ti6 s PRO 448 Ca 0.03 1.80 0.04 0.00 0.02 0.00 0.00 61.00 62.89 1ti6 s PRO 448 Cb -0.02 -3.31 0.66 0.00 0.02 0.00 0.00 34.50 31.85 1ti6 s PRO 448 CO -0.02 -0.20 1.83 -0.09 -0.33 0.00 0.00 177.00 178.19 1ti6 h ARG 449 N 6.34 0.85 0.00 5.54 2.43 -1.56 0.24 114.38 128.22 1ti6 h ARG 449 Ca -0.42 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1ti6 h ARG 449 Cb 1.21 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1ti6 h ARG 449 CO 0.79 0.56 0.00 -0.07 -1.51 0.00 0.00 179.97 179.74 1ti6 h LEU 450 N 0.87 0.00 -2.89 3.80 3.38 -1.91 -3.11 115.31 115.45 1ti6 h LEU 450 Ca 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 1ti6 h LEU 450 Cb 0.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1ti6 h LEU 450 CO -0.27 0.00 -0.28 0.29 0.09 0.00 0.00 178.44 178.27 1ti6 n LYS 451 N -2.52 1.14 -0.17 1.13 4.76 0.04 -4.78 118.16 117.76 1ti6 n LYS 451 Ca 0.00 -2.59 -0.03 0.00 -2.87 0.00 0.00 58.31 52.82 1ti6 n LYS 451 Cb 0.18 -1.32 0.07 0.00 -1.84 0.00 0.00 35.03 32.12 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 1.58 0.89 -0.93 -0.18 2.04 -1.39 -1.73 117.51 117.79 1ti6 h ILE 452 Ca -0.02 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 65.78 1ti6 h ILE 452 Cb 1.11 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 1ti6 h ILE 452 CO 0.01 0.08 0.57 -0.65 0.00 0.00 0.00 178.15 178.16 1ti6 h PRO 453 N 0.45 0.94 -0.29 2.37 0.11 -1.86 -0.37 132.00 133.34 1ti6 h PRO 453 Ca 0.25 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.14 1ti6 h PRO 453 Cb 0.21 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1ti6 h PRO 453 CO -0.21 0.62 -0.46 0.93 -0.21 0.00 0.00 178.00 178.67 1ti6 h GLU 454 N 0.97 0.77 -0.44 1.05 3.07 -1.78 -0.24 114.58 117.97 1ti6 h GLU 454 Ca 0.44 -0.44 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 1ti6 h GLU 454 Cb 0.34 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1ti6 h GLU 454 CO -0.23 1.07 -0.12 0.00 -1.40 0.00 0.00 179.01 178.33 1ti6 h ILE 456 N 0.69 1.41 0.00 0.00 2.04 -1.05 -0.72 117.51 119.88 1ti6 h ILE 456 Ca 0.11 -1.30 -0.23 0.00 1.00 0.00 0.00 64.86 64.45 1ti6 h ILE 456 Cb 0.66 2.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 1ti6 h ILE 456 CO 0.05 0.35 -1.16 0.24 0.00 0.00 0.00 178.15 177.63 1ti6 h MET 457 N -0.38 0.01 0.00 2.37 2.86 -1.08 -3.36 114.93 115.35 1ti6 h MET 457 Ca 0.00 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.47 1ti6 h MET 457 Cb 0.60 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1ti6 h MET 457 CO 0.01 0.90 -1.85 0.41 1.06 0.00 0.00 176.91 177.44 1ti6 n GLY 458 N 1.40 -1.10 2.41 8.32 0.00 0.16 -4.98 105.19 111.40 1ti6 n GLY 458 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1ti6 n GLY 458 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 459 N 1.44 0.42 3.57 -0.02 0.00 -0.28 -4.98 105.19 105.34 1ti6 n GLY 459 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.50 0.88 0.01 1.61 2.20 -1.26 -4.34 119.74 118.34 1ti6 s LYS 460 Ca 0.00 0.47 -0.28 0.00 -0.36 0.00 0.00 55.97 55.80 1ti6 s LYS 460 Cb 0.00 0.42 0.10 0.00 -1.51 0.00 0.00 37.83 36.84 1ti6 s LYS 460 CO 0.00 -0.22 0.85 0.12 -0.36 0.00 0.00 175.35 175.74 1ti6 s PHE 461 N -0.63 -0.39 -0.06 4.03 5.36 -0.65 -4.62 117.98 121.02 1ti6 s PHE 461 Ca -0.05 0.29 -0.03 0.00 -0.96 0.00 0.00 56.93 56.17 1ti6 s PHE 461 Cb -0.02 0.53 0.03 0.00 -0.34 0.00 0.00 43.02 43.22 1ti6 s PHE 461 CO 0.05 -0.58 0.13 -1.14 -1.46 0.00 0.00 175.22 172.23 1ti6 s GLN 462 N -3.01 0.11 0.31 10.12 -0.44 -1.26 -0.56 119.66 124.93 1ti6 s GLN 462 Ca 0.03 0.29 -0.05 0.00 -2.50 0.00 0.00 55.36 53.13 1ti6 s GLN 462 Cb -0.01 -0.09 0.02 0.00 -1.64 0.00 0.00 33.01 31.30 1ti6 s GLN 462 CO -0.08 -0.11 0.50 -2.67 0.50 0.00 0.00 175.29 173.43 1ti6 n TRP 463 N 3.75 -1.60 -4.82 1.67 2.14 -0.69 -5.01 117.44 112.88 1ti6 n TRP 463 Ca -0.21 -1.81 -0.33 0.00 2.07 0.00 0.00 57.50 57.21 1ti6 n TRP 463 Cb 0.54 0.57 -0.13 0.00 -0.81 0.00 0.00 31.31 31.49 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 -2.78 4.15 0.19 -0.67 0.01 -1.26 -1.21 113.70 112.13 1ti6 s SER 464 Ca 0.20 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1ti6 s SER 464 Cb -0.02 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 65.20 1ti6 s SER 464 CO 0.15 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.73 1ti6 n GLY 465 N 2.46 -2.96 3.05 3.44 0.00 0.57 -4.69 105.19 107.05 1ti6 n GLY 465 Ca -0.17 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.70 2.07 4.41 1.61 2.20 -1.26 -4.89 119.74 120.17 1ti6 s LYS 466 Ca 0.00 -1.37 0.00 0.00 -0.36 0.00 0.00 55.97 54.24 1ti6 s LYS 466 Cb 0.00 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 1ti6 s LYS 466 CO 0.00 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.78 1ti6 n GLY 467 N 4.44 3.23 3.53 5.54 0.00 -1.26 -3.87 105.19 116.79 1ti6 n GLY 467 Ca -0.11 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 2.77 -1.26 1.61 0.40 -1.23 -4.36 117.98 115.89 1ti6 s PHE 468 Ca 0.00 0.02 -0.05 0.00 -0.60 0.00 0.00 56.93 56.30 1ti6 s PHE 468 Cb 0.00 -4.13 0.16 0.00 0.51 0.00 0.00 43.02 39.56 1ti6 s PHE 468 CO 0.00 -1.39 2.21 0.00 0.70 0.00 0.00 175.22 176.74 1ti6 n ALA 469 N 7.59 6.48 1.63 5.36 0.00 -1.25 -4.71 120.51 135.60 1ti6 n ALA 469 Ca 0.02 -4.22 0.15 0.00 0.00 0.00 0.00 53.44 49.39 1ti6 n ALA 469 Cb 0.48 -2.69 0.66 0.00 0.00 0.00 0.00 19.45 17.90 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 1.55 -0.47 0.15 0.00 0.00 -1.26 -4.25 105.19 100.91 1ti6 n GLY 470 Ca 0.56 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 4.92 0.46 -2.75 -0.02 0.00 -1.84 -3.07 103.07 100.77 1ti6 h GLY 471 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1ti6 h GLY 471 CO 0.00 0.17 0.09 -0.35 0.00 0.00 0.00 176.54 176.46 1ti6 s ASP 472 N -5.50 -0.36 0.27 0.19 2.15 -1.26 -4.86 116.67 107.30 1ti6 s ASP 472 Ca -0.13 -0.31 0.01 0.00 0.43 0.00 0.00 52.55 52.55 1ti6 s ASP 472 Cb 0.10 0.59 0.60 0.00 -0.30 0.00 0.00 42.92 43.90 1ti6 s ASP 472 CO 0.71 -1.03 1.75 0.40 -0.17 0.00 0.00 175.17 176.84 1ti6 h ILE 473 N 2.14 0.68 -0.11 4.11 2.04 -1.89 -2.55 117.51 121.92 1ti6 h ILE 473 Ca -0.30 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1ti6 h ILE 473 Cb 1.28 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1ti6 h ILE 473 CO 0.37 0.11 0.00 -1.20 0.00 0.00 0.00 178.15 177.43 1ti6 n SER 474 N -4.89 1.71 0.02 1.72 7.64 -1.26 -4.23 113.62 114.33 1ti6 n SER 474 Ca 0.19 -1.65 0.02 0.00 1.01 0.00 0.00 58.87 58.44 1ti6 n SER 474 Cb 0.49 -0.07 0.37 0.00 -1.01 0.00 0.00 64.21 63.99 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 2.43 0.49 0.00 1.43 3.86 -1.73 -1.69 115.15 119.94 1ti6 h HIS 475 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1ti6 h HIS 475 Cb 0.52 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1ti6 h HIS 475 CO 0.07 0.42 0.00 0.00 0.86 0.00 0.00 177.93 179.28 1ti6 n GLN 476 N -4.37 0.12 0.01 2.45 10.64 -1.26 -2.29 117.38 122.68 1ti6 n GLN 476 Ca 0.02 0.40 0.12 0.00 -1.83 0.00 0.00 57.00 55.71 1ti6 n GLN 476 Cb 0.17 -1.74 0.27 0.00 -0.86 0.00 0.00 30.24 28.07 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 0.49 -4.77 2.61 4.77 -0.63 -1.98 117.00 115.52 1ti6 n LEU 477 Ca 0.02 0.08 -0.40 0.00 -0.03 0.00 0.00 56.01 55.68 1ti6 n LEU 477 Cb 0.17 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1ti6 n LEU 477 CO 0.15 0.08 1.03 -2.28 -1.33 0.00 0.00 177.39 175.05 1ti6 s HIS 478 N -3.03 2.73 -0.12 -1.77 2.46 -0.97 -4.70 115.29 109.89 1ti6 s HIS 478 Ca 0.10 1.32 -0.13 0.00 0.47 0.00 0.00 55.06 56.82 1ti6 s HIS 478 Cb 0.17 -3.81 -0.05 0.00 -0.13 0.00 0.00 32.58 28.76 1ti6 s HIS 478 CO 0.69 -2.44 0.29 -0.65 -2.47 0.00 0.00 174.74 170.16 1ti6 s GLN 479 N -2.15 4.07 0.23 2.88 -1.52 -1.26 -0.32 119.66 121.59 1ti6 s GLN 479 Ca 0.55 0.12 0.07 0.00 -1.95 0.00 0.00 55.36 54.15 1ti6 s GLN 479 Cb -0.42 -3.35 -0.05 0.00 -0.22 0.00 0.00 33.01 28.97 1ti6 s GLN 479 CO 0.55 0.40 -0.11 0.71 -0.25 0.00 0.00 175.29 176.59 1ti6 s TYR 480 N -0.04 1.79 0.05 0.91 1.51 -0.35 -4.97 117.35 116.25 1ti6 s TYR 480 Ca 0.18 -0.63 -0.05 0.00 -1.01 0.00 0.00 57.07 55.56 1ti6 s TYR 480 Cb -0.14 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.79 1ti6 s TYR 480 CO 0.06 0.32 0.08 -1.83 -1.11 0.00 0.00 175.55 173.07 1ti6 s GLU 481 N -3.68 0.62 -0.05 -0.62 -1.05 -1.26 -1.71 118.70 110.95 1ti6 s GLU 481 Ca 0.25 -0.87 0.01 0.00 -0.15 0.00 0.00 54.97 54.22 1ti6 s GLU 481 Cb 0.01 0.24 0.02 0.00 -0.44 0.00 0.00 34.13 33.96 1ti6 s GLU 481 CO 0.09 -0.16 -0.06 -0.47 0.95 0.00 0.00 175.26 175.61 1ti6 s TYR 482 N -3.01 0.90 0.52 4.83 5.04 0.27 -2.90 117.35 123.00 1ti6 s TYR 482 Ca -0.02 -0.28 -0.20 0.00 -2.44 0.00 0.00 57.07 54.13 1ti6 s TYR 482 Cb 0.01 -0.76 -0.07 0.00 0.35 0.00 0.00 41.96 41.49 1ti6 s TYR 482 CO -0.06 -0.22 1.09 -1.25 -1.34 0.00 0.00 175.55 173.76 1ti6 s PRO 483 N 0.93 3.54 0.48 4.97 0.04 -1.26 -1.64 135.00 142.06 1ti6 s PRO 483 Ca -0.11 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 62.21 1ti6 s PRO 483 Cb -0.14 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1ti6 s PRO 483 CO 0.00 -0.67 1.12 0.00 0.04 0.00 0.00 177.00 177.49 1ti6 s ALA 484 N -1.88 2.88 -0.33 8.56 0.00 -1.14 -4.88 121.76 124.96 1ti6 s ALA 484 Ca 0.70 0.82 -0.43 0.00 0.00 0.00 0.00 51.96 53.06 1ti6 s ALA 484 Cb -0.20 -3.34 -0.18 0.00 0.00 0.00 0.00 23.12 19.39 1ti6 s ALA 484 CO 0.24 -0.59 1.61 -2.30 0.00 0.00 0.00 175.76 174.72 1ti6 n PRO 485 N -0.78 0.57 0.00 0.00 -0.02 -1.26 -0.25 135.00 133.26 1ti6 n PRO 485 Ca 0.09 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1ti6 n PRO 485 Cb 0.50 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 3.81 2.70 3.96 -1.23 0.00 -1.26 -5.02 105.19 108.15 1ti6 n GLY 486 Ca 0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.60 3.16 0.16 1.61 1.51 0.65 -5.10 117.35 116.74 1ti6 s TYR 487 Ca 0.00 0.12 -0.03 0.00 -1.01 0.00 0.00 57.07 56.15 1ti6 s TYR 487 Cb 0.00 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.49 1ti6 s TYR 487 CO 0.00 -0.36 0.38 0.45 -1.11 0.00 0.00 175.55 174.91 1ti6 s SER 488 N -4.24 6.44 0.75 2.29 0.15 -1.26 -4.64 113.70 113.21 1ti6 s SER 488 Ca 0.49 0.51 -0.11 0.00 0.70 0.00 0.00 55.95 57.55 1ti6 s SER 488 Cb -0.10 -2.06 0.04 0.00 -1.71 0.00 0.00 66.02 62.20 1ti6 s SER 488 CO 0.37 0.02 1.08 -0.54 1.20 0.00 0.00 173.24 175.37 1ti6 s LYS 489 N -2.91 2.42 0.24 5.44 1.02 -1.26 -4.38 119.74 120.31 1ti6 s LYS 489 Ca 0.40 1.11 -0.30 0.00 0.02 0.00 0.00 55.97 57.20 1ti6 s LYS 489 Cb -0.12 -1.92 -0.09 0.00 -0.52 0.00 0.00 37.83 35.18 1ti6 s LYS 489 CO 0.27 -1.51 1.31 0.42 -0.92 0.00 0.00 175.35 174.92 1ti6 s ILE 490 N -2.94 3.04 0.00 2.17 -1.09 -1.26 -4.44 121.20 116.68 1ti6 s ILE 490 Ca 0.60 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.93 1ti6 s ILE 490 Cb -0.16 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 1ti6 s ILE 490 CO 0.56 0.16 0.00 0.29 -1.23 0.00 0.00 174.94 174.72 1ti6 n LYS 491 N 2.11 3.09 -4.16 2.79 4.76 0.12 -4.74 118.16 122.12 1ti6 n LYS 491 Ca 0.04 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.32 1ti6 n LYS 491 Cb 0.42 -0.98 -0.12 0.00 -1.84 0.00 0.00 35.03 32.51 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 -1.96 0.74 -0.17 1.97 1.75 -0.97 -0.39 119.30 120.27 1ti6 s MET 492 Ca 0.00 -0.85 -0.01 0.00 -1.25 0.00 0.00 55.69 53.58 1ti6 s MET 492 Cb 0.00 -0.67 0.05 0.00 2.84 0.00 0.00 34.83 37.04 1ti6 s MET 492 CO 0.00 0.15 -0.02 0.12 -0.65 0.00 0.00 175.02 174.62 1ti6 s PHE 493 N -1.21 1.43 -0.54 4.11 5.99 0.09 -0.45 117.98 127.40 1ti6 s PHE 493 Ca -0.04 -0.96 -0.16 0.00 0.00 0.00 0.00 56.93 55.78 1ti6 s PHE 493 Cb -0.09 -1.19 0.13 0.00 0.00 0.00 0.00 43.02 41.87 1ti6 s PHE 493 CO 0.02 -0.59 0.49 -0.46 -0.00 0.00 0.00 175.22 174.68 1ti6 s TRP 494 N 1.72 3.26 0.04 10.12 -0.11 0.12 -1.08 118.94 133.01 1ti6 s TRP 494 Ca 0.00 -1.30 -0.20 0.00 1.22 0.00 0.00 56.10 55.82 1ti6 s TRP 494 Cb -0.16 -3.78 -0.06 0.00 -1.50 0.00 0.00 33.47 27.97 1ti6 s TRP 494 CO -0.07 -1.02 0.58 0.15 -4.62 0.00 0.00 176.95 171.97 1ti6 s LYS 495 N 1.59 4.26 -0.35 5.86 1.02 0.19 -2.96 119.74 129.35 1ti6 s LYS 495 Ca 0.03 0.74 -0.01 0.00 0.02 0.00 0.00 55.97 56.75 1ti6 s LYS 495 Cb -0.30 -3.29 0.09 0.00 -0.52 0.00 0.00 37.83 33.81 1ti6 s LYS 495 CO 0.03 0.52 0.09 -0.47 -0.92 0.00 0.00 175.35 174.60 1ti6 s TYR 496 N -0.69 3.51 0.00 3.18 5.04 -1.02 -0.02 117.35 127.34 1ti6 s TYR 496 Ca 0.30 -2.36 0.00 0.00 -2.44 0.00 0.00 57.07 52.57 1ti6 s TYR 496 Cb -0.19 -2.74 0.00 0.00 0.35 0.00 0.00 41.96 39.38 1ti6 s TYR 496 CO 0.18 -0.91 0.00 0.41 -1.34 0.00 0.00 175.55 173.89 1ti6 n GLY 497 N 4.52 -1.13 2.73 8.97 0.00 -0.97 -4.09 105.19 115.23 1ti6 n GLY 497 Ca -0.05 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.08 0.47 0.02 -0.02 0.00 -1.26 -4.83 105.19 98.49 1ti6 n GLY 498 Ca 0.00 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 0.54 0.06 -0.15 1.61 -0.04 -1.26 -1.15 135.00 134.61 1ti6 n PRO 499 Ca 0.06 -0.04 0.26 0.00 -0.04 0.00 0.00 63.50 63.74 1ti6 n PRO 499 Cb 0.69 -1.50 0.70 0.00 -0.04 0.00 0.00 33.50 33.36 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 0.11 0.04 0.00 0.54 3.86 -1.95 -0.23 115.15 117.51 1ti6 h HIS 500 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1ti6 h HIS 500 Cb 0.51 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 1ti6 h HIS 500 CO 0.00 0.01 -0.11 -0.07 0.86 0.00 0.00 177.93 178.62 1ti6 h LEU 501 N 0.03 0.00 0.00 2.43 3.38 -1.88 -2.01 115.31 117.25 1ti6 h LEU 501 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1ti6 h LEU 501 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1ti6 h LEU 501 CO -0.02 0.11 -0.76 0.61 0.09 0.00 0.00 178.44 178.47 1ti6 n GLY 502 N -0.83 -0.40 0.00 0.83 0.00 -0.15 -4.50 105.19 100.14 1ti6 n GLY 502 Ca -0.02 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.39 0.00 -0.69 2.61 -2.24 -0.85 -1.81 114.28 109.91 1ti6 n THR 503 Ca 0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1ti6 n THR 503 Cb 0.24 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.53 3.61 -4.46 -0.78 2.81 -0.78 -4.96 117.12 111.03 1ti6 n MET 504 Ca -0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.58 1ti6 n MET 504 Cb 0.13 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.53 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 1.96 2.91 -0.92 2.03 -4.23 -1.26 -4.70 115.64 111.42 1ti6 s THR 505 Ca 0.00 -1.31 -0.10 0.00 -1.18 0.00 0.00 61.69 59.10 1ti6 s THR 505 Cb 0.00 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.57 1ti6 s THR 505 CO 0.00 0.22 0.19 0.00 -0.54 0.00 0.00 174.62 174.49 1ti6 n ALA 506 N 1.15 -1.84 0.02 3.99 0.00 0.26 -4.72 120.51 119.38 1ti6 n ALA 506 Ca -0.16 -0.33 0.01 0.00 0.00 0.00 0.00 53.44 52.97 1ti6 n ALA 506 Cb 0.52 -1.02 0.08 0.00 0.00 0.00 0.00 19.45 19.03 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 -3.50 1.61 0.25 0.00 -2.24 -0.69 -2.86 114.28 106.85 1ti6 n THR 507 Ca -0.15 0.54 0.16 0.00 -2.27 0.00 0.00 64.05 62.32 1ti6 n THR 507 Cb 0.42 -1.54 0.86 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.00 0.48 3.42 2.35 -1.84 0.29 115.58 120.28 1ti6 h ASN 508 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1ti6 h ASN 508 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1ti6 h ASN 508 CO 0.00 0.00 -0.25 0.08 -1.65 0.00 0.00 177.43 175.61 1ti6 h ARG 509 N 0.00 0.00 0.00 0.81 0.11 -1.85 -2.00 114.38 111.45 1ti6 h ARG 509 Ca 0.05 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.02 1ti6 h ARG 509 Cb 0.27 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.33 1ti6 h ARG 509 CO -0.00 0.25 -0.52 1.88 0.10 0.00 0.00 179.97 181.68 1ti6 h TYR 510 N 0.00 0.00 0.02 4.08 -1.99 -1.19 -2.51 116.97 115.38 1ti6 h TYR 510 Ca -0.00 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.47 1ti6 h TYR 510 Cb 0.55 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.30 1ti6 h TYR 510 CO 0.00 0.52 -1.05 0.00 -0.00 0.00 0.00 178.16 177.63 1ti6 h ALA 511 N 1.48 0.18 -0.31 3.88 0.00 -1.41 -3.30 119.26 119.78 1ti6 h ALA 511 Ca -0.01 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 1ti6 h ALA 511 Cb 1.06 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1ti6 h ALA 511 CO 0.07 0.73 -0.10 0.87 0.00 0.00 0.00 179.25 180.82 1ti6 h LYS 512 N 0.32 0.53 -0.06 0.00 1.57 -1.26 -3.20 116.57 114.47 1ti6 h LYS 512 Ca -0.12 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1ti6 h LYS 512 Cb 1.70 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.95 1ti6 h LYS 512 CO 0.20 0.63 -0.11 0.00 -0.57 0.00 0.00 179.45 179.60 1ti6 h MET 513 N 0.49 0.08 0.00 3.15 -0.00 -1.52 -3.07 114.93 114.06 1ti6 h MET 513 Ca 0.09 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.77 1ti6 h MET 513 Cb 0.47 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.06 1ti6 h MET 513 CO 0.03 0.20 -0.06 1.88 -0.00 0.00 0.00 176.91 178.96 1ti6 h TYR 514 N 0.08 0.00 -0.30 -0.10 -1.99 -1.70 -2.37 116.97 110.60 1ti6 h TYR 514 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1ti6 h TYR 514 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.97 1ti6 h TYR 514 CO 0.00 0.06 0.00 0.25 -0.00 0.00 0.00 178.16 178.47 1ti6 n THR 515 N -3.83 0.38 -2.21 -2.88 -2.24 -1.16 -4.82 114.28 97.52 1ti6 n THR 515 Ca -0.02 -0.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.81 1ti6 n THR 515 Cb 0.15 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.62 3.21 -0.21 4.78 5.04 -0.89 -4.00 115.29 121.59 1ti6 s HIS 516 Ca 0.34 1.37 0.26 0.00 -1.54 0.00 0.00 55.06 55.50 1ti6 s HIS 516 Cb 0.19 -3.59 1.22 0.00 0.04 0.00 0.00 32.58 30.44 1ti6 s HIS 516 CO 0.27 -1.69 1.79 0.38 -2.34 0.00 0.00 174.74 173.15 1ti6 h ASP 517 N 4.26 0.00 1.05 9.88 2.03 -1.91 -2.65 116.42 129.07 1ti6 h ASP 517 Ca -0.47 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.78 1ti6 h ASP 517 Cb 1.22 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.71 1ti6 h ASP 517 CO 0.71 0.00 -0.26 0.77 -1.03 0.00 0.00 179.24 179.42 1ti6 h SER 518 N 0.00 0.00 -2.43 4.15 4.64 -1.90 -3.40 113.55 114.61 1ti6 h SER 518 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1ti6 h SER 518 Cb 0.24 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.24 1ti6 h SER 518 CO 0.00 0.26 0.98 -0.76 -0.87 0.00 0.00 176.83 176.44 1ti6 s LEU 519 N -6.72 3.36 0.28 5.97 1.43 -1.00 -4.58 118.68 117.42 1ti6 s LEU 519 Ca 0.01 -0.52 0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1ti6 s LEU 519 Cb 0.10 -2.55 0.19 0.00 0.03 0.00 0.00 46.19 43.96 1ti6 s LEU 519 CO 0.66 -1.77 1.50 -0.33 0.23 0.00 0.00 176.35 176.63 1ti6 h GLU 520 N 9.95 0.00 -2.24 1.70 5.08 -0.95 -3.47 114.58 124.66 1ti6 h GLU 520 Ca -0.28 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 1ti6 h GLU 520 Cb 1.05 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.08 1ti6 h GLU 520 CO 1.26 0.56 -0.03 0.12 -1.00 0.00 0.00 179.01 179.92 1ti6 s PHE 521 N -3.11 -0.77 -0.10 4.33 5.36 -1.16 -5.03 117.98 117.51 1ti6 s PHE 521 Ca 0.02 1.73 -0.00 0.00 -0.96 0.00 0.00 56.93 57.72 1ti6 s PHE 521 Cb 0.09 0.34 0.02 0.00 -0.34 0.00 0.00 43.02 43.13 1ti6 s PHE 521 CO 0.74 -0.38 -0.06 0.08 -1.46 0.00 0.00 175.22 174.14 1ti6 s VAL 522 N 0.80 0.87 -0.06 3.12 1.01 -1.26 -0.73 120.40 124.15 1ti6 s VAL 522 Ca -0.04 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1ti6 s VAL 522 Cb -0.05 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1ti6 s VAL 522 CO -0.06 0.34 -0.18 -0.69 0.00 0.00 0.00 175.10 174.50 1ti6 s VAL 523 N 1.61 2.69 -0.18 2.92 1.01 -0.24 -0.46 120.40 127.76 1ti6 s VAL 523 Ca 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1ti6 s VAL 523 Cb -0.13 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1ti6 s VAL 523 CO -0.06 0.57 -0.18 -0.55 0.00 0.00 0.00 175.10 174.88 1ti6 s SER 524 N -0.37 3.11 -0.61 3.32 0.15 0.04 0.57 113.70 119.90 1ti6 s SER 524 Ca 0.03 -0.66 -0.07 0.00 0.70 0.00 0.00 55.95 55.96 1ti6 s SER 524 Cb -0.12 -1.43 0.16 0.00 -1.71 0.00 0.00 66.02 62.92 1ti6 s SER 524 CO 0.02 -0.02 0.46 -1.58 1.20 0.00 0.00 173.24 173.33 1ti6 s GLN 525 N 1.32 2.71 0.35 5.44 0.74 0.97 -0.03 119.66 131.16 1ti6 s GLN 525 Ca 0.04 -2.28 0.04 0.00 0.05 0.00 0.00 55.36 53.22 1ti6 s GLN 525 Cb -0.13 -3.91 -0.03 0.00 1.10 0.00 0.00 33.01 30.04 1ti6 s GLN 525 CO -0.12 -1.19 0.17 -1.12 -0.55 0.00 0.00 175.29 172.47 1ti6 s SER 526 N 1.56 2.10 -0.26 6.67 0.01 -0.72 -2.29 113.70 120.77 1ti6 s SER 526 Ca 0.14 -1.65 -0.06 0.00 1.31 0.00 0.00 55.95 55.69 1ti6 s SER 526 Cb -0.20 0.46 -0.15 0.00 0.21 0.00 0.00 66.02 66.34 1ti6 s SER 526 CO -0.04 -0.94 -0.26 -0.38 0.41 0.00 0.00 173.24 172.04 1ti6 n ILE 527 N -0.73 1.52 -4.35 1.44 5.41 -1.26 -0.42 119.36 120.97 1ti6 n ILE 527 Ca -0.01 -0.48 -0.30 0.00 1.00 0.00 0.00 62.75 62.97 1ti6 n ILE 527 Cb 0.64 -1.64 -0.11 0.00 -0.71 0.00 0.00 39.64 37.81 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 -2.51 2.54 -0.91 1.39 0.51 -1.26 -1.28 118.94 117.42 1ti6 s TRP 528 Ca -0.36 -0.26 -0.20 0.00 -2.12 0.00 0.00 56.10 53.16 1ti6 s TRP 528 Cb 0.11 -1.36 0.11 0.00 -0.81 0.00 0.00 33.47 31.52 1ti6 s TRP 528 CO 0.56 0.37 1.17 0.12 -0.51 0.00 0.00 176.95 178.65 1ti6 s PHE 529 N -1.11 2.95 0.35 -1.98 5.36 0.75 -4.79 117.98 119.50 1ti6 s PHE 529 Ca 0.17 -1.17 -0.17 0.00 -0.96 0.00 0.00 56.93 54.80 1ti6 s PHE 529 Cb -0.11 -4.37 0.05 0.00 -0.34 0.00 0.00 43.02 38.26 1ti6 s PHE 529 CO 0.09 -1.60 0.81 -1.83 -1.46 0.00 0.00 175.22 171.24 1ti6 s GLU 530 N 3.32 2.08 4.65 10.12 -1.05 -1.26 -4.95 118.70 131.60 1ti6 s GLU 530 Ca 0.34 -1.32 0.00 0.00 -0.15 0.00 0.00 54.97 53.84 1ti6 s GLU 530 Cb -0.05 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 1ti6 s GLU 530 CO -0.07 -0.97 0.00 0.41 0.95 0.00 0.00 175.26 175.58 1ti6 n GLY 531 N -0.54 3.39 0.06 -3.83 0.00 -1.16 -1.42 105.19 101.68 1ti6 n GLY 531 Ca -0.07 0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 13.51 0.19 -0.29 1.61 1.02 -0.30 -4.30 120.64 132.08 1ti6 n GLU 532 Ca 0.00 0.11 0.09 0.00 -0.02 0.00 0.00 57.16 57.34 1ti6 n GLU 532 Cb 0.00 -1.67 0.25 0.00 -0.02 0.00 0.00 31.44 30.00 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 0.60 0.00 2.62 2.07 -1.46 -1.83 116.25 118.25 1ti6 h VAL 533 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1ti6 h VAL 533 Cb 0.66 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1ti6 h VAL 533 CO 0.00 0.09 0.00 -2.65 0.02 0.00 0.00 177.57 175.03 1ti6 n PRO 534 N -4.98 0.43 0.00 1.57 -0.02 -1.26 -2.02 135.00 128.71 1ti6 n PRO 534 Ca 0.19 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 1ti6 n PRO 534 Cb 0.53 -1.10 -0.04 0.00 -0.02 0.00 0.00 33.50 32.86 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 -0.12 0.00 -1.55 6.00 3.01 -0.69 -3.39 117.46 120.72 1ti6 n PHE 535 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 1ti6 n PHE 535 Cb 0.05 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.58 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 -1.81 2.54 -0.13 4.37 0.00 -0.86 -4.54 121.76 121.34 1ti6 s ALA 536 Ca 0.04 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.04 1ti6 s ALA 536 Cb 0.07 -3.16 -0.24 0.00 0.00 0.00 0.00 23.12 19.80 1ti6 s ALA 536 CO 0.37 -1.39 0.32 -0.25 0.00 0.00 0.00 175.76 174.81 1ti6 n ASP 537 N -3.23 1.54 -3.97 0.00 8.00 0.40 -4.54 116.55 114.74 1ti6 n ASP 537 Ca 0.07 0.19 -0.21 0.00 0.71 0.00 0.00 54.79 55.55 1ti6 n ASP 537 Cb 0.54 -0.38 -0.16 0.00 -0.02 0.00 0.00 41.12 41.10 1ti6 n ASP 537 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ti6 s ILE 538 N -2.56 0.78 -0.13 0.53 -1.09 -1.09 -0.41 121.20 117.24 1ti6 s ILE 538 Ca -0.18 -0.31 0.03 0.00 -2.23 0.00 0.00 60.65 57.95 1ti6 s ILE 538 Cb 0.07 -0.73 0.01 0.00 -1.58 0.00 0.00 42.46 40.23 1ti6 s ILE 538 CO 0.76 0.26 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.88 1ti6 s ILE 539 N 0.52 2.07 -0.21 2.92 1.01 0.24 -0.78 121.20 126.97 1ti6 s ILE 539 Ca -0.08 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 59.54 1ti6 s ILE 539 Cb -0.12 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 1ti6 s ILE 539 CO 0.01 0.55 -0.05 -0.76 0.00 0.00 0.00 174.94 174.69 1ti6 s LEU 540 N 0.64 2.90 -0.32 2.97 1.43 0.96 -1.43 118.68 125.83 1ti6 s LEU 540 Ca -0.11 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 1ti6 s LEU 540 Cb -0.16 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 1ti6 s LEU 540 CO 0.02 0.01 1.39 -2.84 0.23 0.00 0.00 176.35 175.16 1ti6 s PRO 541 N 1.30 3.79 0.26 1.29 0.02 -1.26 -1.76 135.00 138.64 1ti6 s PRO 541 Ca 0.04 1.23 0.06 0.00 0.02 0.00 0.00 61.00 62.34 1ti6 s PRO 541 Cb -0.14 -3.95 -0.03 0.00 0.02 0.00 0.00 34.50 30.40 1ti6 s PRO 541 CO -0.02 -1.28 0.33 0.00 -0.33 0.00 0.00 177.00 175.69 1ti6 s ALA 542 N 4.84 3.87 0.36 -1.55 0.00 0.44 -2.05 121.76 127.67 1ti6 s ALA 542 Ca 0.60 -1.34 0.08 0.00 0.00 0.00 0.00 51.96 51.31 1ti6 s ALA 542 Cb -0.17 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1ti6 s ALA 542 CO 0.27 0.19 0.24 0.00 0.00 0.00 0.00 175.76 176.46 1ti6 s THR 544 N -2.41 2.00 -1.19 0.00 -4.23 -1.26 -4.83 115.64 103.72 1ti6 s THR 544 Ca 0.41 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 61.08 1ti6 s THR 544 Cb -0.03 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 71.02 1ti6 s THR 544 CO 0.25 0.00 1.50 -0.46 -0.54 0.00 0.00 174.62 175.37 1ti6 n ASN 545 N -3.52 0.00 -0.20 3.99 6.94 -1.26 -2.11 115.26 119.09 1ti6 n ASN 545 Ca 0.11 0.30 0.14 0.00 -0.02 0.00 0.00 54.58 55.11 1ti6 n ASN 545 Cb 0.60 -0.40 0.61 0.00 -2.36 0.00 0.00 39.78 38.23 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 -1.40 0.00 -0.48 -2.53 3.01 -1.26 -3.62 117.46 111.17 1ti6 n PHE 546 Ca 0.06 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.57 1ti6 n PHE 546 Cb 0.16 -0.10 0.14 0.00 -0.01 0.00 0.00 39.48 39.67 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 -0.65 2.66 -4.01 -1.08 1.02 -0.90 -1.92 120.64 115.76 1ti6 n GLU 547 Ca 0.17 -2.20 -0.09 0.00 -0.02 0.00 0.00 57.16 55.02 1ti6 n GLU 547 Cb 0.28 -1.38 -0.06 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.76 1.52 -0.04 3.49 1.70 -1.24 -4.34 118.95 118.29 1ti6 s ARG 548 Ca 0.24 -1.28 -0.15 0.00 -0.47 0.00 0.00 55.73 54.07 1ti6 s ARG 548 Cb 0.17 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.96 1ti6 s ARG 548 CO 0.08 -0.63 0.39 -1.58 -1.08 0.00 0.00 175.30 172.48 1ti6 s TRP 549 N -4.03 3.67 0.27 5.89 0.52 -1.26 -3.51 118.94 120.49 1ti6 s TRP 549 Ca 0.24 0.92 -0.11 0.00 0.02 0.00 0.00 56.10 57.16 1ti6 s TRP 549 Cb -0.00 -2.30 0.04 0.00 -1.15 0.00 0.00 33.47 30.06 1ti6 s TRP 549 CO 0.09 0.55 0.58 -3.47 0.02 0.00 0.00 176.95 174.72 1ti6 n ASP 550 N 2.22 -1.59 -3.78 2.95 -0.08 -0.72 -4.74 116.55 110.80 1ti6 n ASP 550 Ca -0.13 -2.08 -0.13 0.00 -1.51 0.00 0.00 54.79 50.94 1ti6 n ASP 550 Cb 0.52 2.65 -0.09 0.00 2.34 0.00 0.00 41.12 46.54 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 -2.35 0.06 0.13 5.18 2.07 -1.26 -0.29 121.20 124.75 1ti6 s ILE 551 Ca 0.12 -0.49 -0.25 0.00 -1.41 0.00 0.00 60.65 58.62 1ti6 s ILE 551 Cb -0.03 -0.56 0.08 0.00 0.13 0.00 0.00 42.46 42.07 1ti6 s ILE 551 CO 0.08 -0.27 1.07 -0.94 -1.91 0.00 0.00 174.94 172.97 1ti6 s SER 552 N -1.25 -0.06 -0.02 4.50 1.04 -0.83 -1.39 113.70 115.69 1ti6 s SER 552 Ca -0.13 -0.48 0.05 0.00 0.48 0.00 0.00 55.95 55.88 1ti6 s SER 552 Cb -0.06 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 1ti6 s SER 552 CO 0.03 -0.81 -0.18 -0.70 0.98 0.00 0.00 173.24 172.57 1ti6 s GLU 553 N -2.56 1.49 -0.40 4.02 2.12 -1.26 -0.86 118.70 121.25 1ti6 s GLU 553 Ca 0.18 -0.63 -0.41 0.00 0.36 0.00 0.00 54.97 54.47 1ti6 s GLU 553 Cb -0.01 -1.41 -0.16 0.00 0.26 0.00 0.00 34.13 32.81 1ti6 s GLU 553 CO 0.03 0.36 1.92 0.34 -0.54 0.00 0.00 175.26 177.37 1ti6 n PHE 554 N 2.73 1.66 -0.90 5.30 7.35 -0.15 -1.34 117.46 132.11 1ti6 n PHE 554 Ca -0.15 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.20 1ti6 n PHE 554 Cb 0.54 -2.38 0.00 0.00 0.35 0.00 0.00 39.48 37.98 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 6.68 0.00 -2.45 3.13 0.00 -1.26 -4.72 120.51 121.89 1ti6 n ALA 555 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 1ti6 n ALA 555 Cb 0.07 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 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 -1.93 6.17 -0.27 0.00 3.84 -0.45 -4.43 114.94 117.87 1ti6 s ASN 556 Ca 0.00 0.10 -0.11 0.00 0.21 0.00 0.00 52.86 53.06 1ti6 s ASN 556 Cb 0.00 -2.55 -0.14 0.00 -0.55 0.00 0.00 41.25 38.01 1ti6 s ASN 556 CO 0.00 -1.71 -0.30 0.00 -2.79 0.00 0.00 177.10 172.30 1ti6 n SER 558 N -4.05 -1.91 0.00 0.00 2.88 -1.16 -1.45 113.62 107.93 1ti6 n SER 558 Ca -0.52 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 1ti6 n SER 558 Cb 0.90 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 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 2.31 0.00 0.46 0.00 -1.26 -1.83 105.19 104.87 1ti6 n GLY 559 Ca 0.00 0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 4.90 0.00 -3.15 1.61 0.18 -1.26 -3.03 117.16 116.40 1ti6 n TYR 560 Ca 0.00 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.56 1ti6 n TYR 560 Cb 0.00 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 38.91 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 -0.80 -0.57 -1.64 -3.48 5.41 -0.76 -4.30 119.36 113.22 1ti6 n ILE 561 Ca 0.11 -3.88 -0.46 0.00 1.00 0.00 0.00 62.75 59.52 1ti6 n ILE 561 Cb 0.05 -1.43 -0.03 0.00 -0.71 0.00 0.00 39.64 37.52 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 1.25 1.75 -3.72 0.38 -0.02 -1.17 -2.59 135.00 130.88 1ti6 n PRO 562 Ca 0.21 0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 62.02 1ti6 n PRO 562 Cb 0.56 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.92 -4.18 0.00 2.55 8.00 -1.26 -4.84 116.55 118.74 1ti6 n ASP 563 Ca 0.12 -0.65 0.09 0.00 0.71 0.00 0.00 54.79 55.06 1ti6 n ASP 563 Cb 0.30 -3.39 0.56 0.00 -0.02 0.00 0.00 41.12 38.56 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 -2.57 0.00 0.04 -2.24 2.04 -1.07 -2.59 115.26 108.87 1ti6 n ASN 564 Ca 0.02 -0.83 0.06 0.00 -0.44 0.00 0.00 54.58 53.40 1ti6 n ASN 564 Cb 0.53 0.00 0.29 0.00 -2.53 0.00 0.00 39.78 38.06 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 -0.91 0.20 1.20 -2.53 4.11 -1.26 -1.85 117.16 116.12 1ti6 n TYR 565 Ca 0.14 0.09 0.01 0.00 -0.00 0.00 0.00 57.90 58.14 1ti6 n TYR 565 Cb 0.06 -0.64 0.08 0.00 -0.00 0.00 0.00 39.34 38.85 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 -1.69 0.60 0.16 -3.48 10.64 -1.07 -1.47 117.38 121.07 1ti6 n GLN 566 Ca 0.02 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.28 1ti6 n GLN 566 Cb 0.13 -1.07 0.08 0.00 -0.86 0.00 0.00 30.24 28.52 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 0.00-10.26 2.61 3.38 -1.53 -3.10 115.31 106.40 1ti6 h LEU 567 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1ti6 h LEU 567 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ti6 h LEU 567 CO 0.00 0.16 -0.33 0.00 0.09 0.00 0.00 178.44 178.35 1ti6 h ASN 569 N 0.94 0.00 -5.00 0.00 2.35 -1.86 -3.46 115.58 108.55 1ti6 h ASN 569 Ca -0.49 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.15 1ti6 h ASN 569 Cb 1.24 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.41 1ti6 h ASN 569 CO 0.57 0.00 -0.26 -1.00 -1.65 0.00 0.00 177.43 175.10 1ti6 s HIS 570 N -3.14 -0.19 -0.33 1.19 3.76 -1.26 -4.84 115.29 110.48 1ti6 s HIS 570 Ca 0.09 0.26 -0.23 0.00 -0.15 0.00 0.00 55.06 55.04 1ti6 s HIS 570 Cb 0.10 0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.89 1ti6 s HIS 570 CO 0.62 -0.41 0.75 1.03 -0.85 0.00 0.00 174.74 175.89 1ti6 s ARG 571 N -1.45 3.86 -0.20 1.40 0.52 -1.26 -4.95 118.95 116.87 1ti6 s ARG 571 Ca -0.13 0.41 -0.00 0.00 -0.52 0.00 0.00 55.73 55.50 1ti6 s ARG 571 Cb -0.05 -3.76 0.02 0.00 0.52 0.00 0.00 34.95 31.68 1ti6 s ARG 571 CO 0.04 -0.72 -0.15 0.08 0.02 0.00 0.00 175.30 174.56 1ti6 s VAL 572 N 2.94 2.40 -0.23 3.52 1.01 -1.26 -1.64 120.40 127.14 1ti6 s VAL 572 Ca 0.30 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 1ti6 s VAL 572 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1ti6 s VAL 572 CO 0.14 0.44 0.09 -0.63 0.00 0.00 0.00 175.10 175.14 1ti6 s ILE 573 N 1.31 4.75 0.06 2.22 1.01 -0.16 -0.97 121.20 129.41 1ti6 s ILE 573 Ca 0.04 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1ti6 s ILE 573 Cb -0.14 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1ti6 s ILE 573 CO -0.10 0.37 -0.12 -0.94 0.00 0.00 0.00 174.94 174.15 1ti6 s SER 574 N 1.10 1.43 -0.07 3.58 1.04 -0.04 0.24 113.70 120.98 1ti6 s SER 574 Ca 0.05 -0.55 -0.26 0.00 0.48 0.00 0.00 55.95 55.67 1ti6 s SER 574 Cb -0.14 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1ti6 s SER 574 CO 0.04 -0.08 0.83 -0.22 0.98 0.00 0.00 173.24 174.78 1ti6 s LEU 575 N -1.53 4.29 -0.75 2.42 2.96 0.70 -1.97 118.68 124.81 1ti6 s LEU 575 Ca -0.03 1.33 -0.18 0.00 -0.22 0.00 0.00 54.13 55.03 1ti6 s LEU 575 Cb -0.09 -3.28 0.13 0.00 0.50 0.00 0.00 46.19 43.45 1ti6 s LEU 575 CO 0.02 -0.24 0.86 -1.10 -1.32 0.00 0.00 176.35 174.57 1ti6 s GLN 576 N 1.24 3.33 0.44 1.98 -0.21 0.61 -3.92 119.66 123.14 1ti6 s GLN 576 Ca 0.42 -1.65 -0.24 0.00 0.02 0.00 0.00 55.36 53.91 1ti6 s GLN 576 Cb -0.18 -4.49 -0.08 0.00 1.00 0.00 0.00 33.01 29.26 1ti6 s GLN 576 CO 0.19 -1.58 1.18 0.00 -2.12 0.00 0.00 175.29 172.96 1ti6 s ALA 577 N 2.26 3.03 -0.85 6.09 0.00 -0.38 -1.75 121.76 130.17 1ti6 s ALA 577 Ca 0.20 0.97 -0.25 0.00 0.00 0.00 0.00 51.96 52.88 1ti6 s ALA 577 Cb -0.15 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1ti6 s ALA 577 CO -0.01 -0.65 1.52 0.21 0.00 0.00 0.00 175.76 176.82 1ti6 s LYS 578 N -2.57 3.17 0.29 0.00 2.20 -1.23 -4.71 119.74 116.88 1ti6 s LYS 578 Ca 0.62 -0.45 0.06 0.00 -0.36 0.00 0.00 55.97 55.84 1ti6 s LYS 578 Cb -0.30 -4.76 0.43 0.00 -1.51 0.00 0.00 37.83 31.69 1ti6 s LYS 578 CO 0.37 -2.42 1.68 0.00 -0.36 0.00 0.00 175.35 174.62 1ti6 s ILE 580 N -4.12 0.06 0.53 0.00 -4.36 -1.12 -4.82 121.20 107.37 1ti6 s ILE 580 Ca -0.05 -1.40 -0.19 0.00 -0.26 0.00 0.00 60.65 58.76 1ti6 s ILE 580 Cb 0.13 -1.87 -0.07 0.00 1.25 0.00 0.00 42.46 41.91 1ti6 s ILE 580 CO 0.78 -0.28 1.06 -1.61 0.24 0.00 0.00 174.94 175.13 1ti6 s GLU 581 N -3.97 3.58 0.24 0.37 0.41 -1.26 -4.36 118.70 113.70 1ti6 s GLU 581 Ca 0.18 1.36 -0.30 0.00 -0.41 0.00 0.00 54.97 55.80 1ti6 s GLU 581 Cb 0.03 -2.06 -0.15 0.00 -1.78 0.00 0.00 34.13 30.18 1ti6 s GLU 581 CO 0.01 -0.62 1.10 -2.30 -0.49 0.00 0.00 175.26 172.96 1ti6 n PRO 582 N -1.33 1.33 -2.49 0.39 -0.02 -1.26 -4.91 135.00 126.71 1ti6 n PRO 582 Ca 0.10 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 1ti6 n PRO 582 Cb 0.52 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 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 -0.63 3.81 0.00 -1.45 1.01 -1.26 -4.77 120.40 117.11 1ti6 s VAL 583 Ca 0.65 1.56 0.00 0.00 0.00 0.00 0.00 61.98 64.19 1ti6 s VAL 583 Cb -0.76 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1ti6 s VAL 583 CO 0.56 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.53 1ti6 n GLY 584 N 2.07 2.54 1.78 4.51 0.00 -1.26 -2.56 105.19 112.27 1ti6 n GLY 584 Ca 0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.55 1ti6 n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ti6 n GLU 585 N 12.95 3.37 -1.58 1.61 1.02 -0.03 -5.00 120.64 132.98 1ti6 n GLU 585 Ca 0.00 -3.07 -0.29 0.00 -0.02 0.00 0.00 57.16 53.78 1ti6 n GLU 585 Cb 0.00 -2.13 0.12 0.00 -0.02 0.00 0.00 31.44 29.41 1ti6 n GLU 585 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ti6 s SER 586 N -1.33 3.89 0.11 1.62 1.04 -1.06 -4.81 113.70 113.15 1ti6 s SER 586 Ca 0.53 1.03 -0.18 0.00 0.48 0.00 0.00 55.95 57.81 1ti6 s SER 586 Cb 0.43 -1.64 0.04 0.00 0.10 0.00 0.00 66.02 64.94 1ti6 s SER 586 CO 0.11 -2.32 0.44 0.00 0.98 0.00 0.00 173.24 172.45 1ti6 s MET 587 N -5.28 1.07 0.67 4.02 0.23 -0.87 -4.77 119.30 114.37 1ti6 s MET 587 Ca 0.63 -0.58 -0.17 0.00 -1.03 0.00 0.00 55.69 54.54 1ti6 s MET 587 Cb -0.14 0.47 0.00 0.00 -1.53 0.00 0.00 34.83 33.64 1ti6 s MET 587 CO 0.53 -0.41 1.28 -1.13 -2.03 0.00 0.00 175.02 173.26 1ti6 n SER 588 N -0.06 1.91 -0.28 -1.18 3.41 -1.26 -2.49 113.62 113.67 1ti6 n SER 588 Ca -0.17 0.79 0.06 0.00 -0.26 0.00 0.00 58.87 59.29 1ti6 n SER 588 Cb 0.63 -1.55 0.28 0.00 -0.26 0.00 0.00 64.21 63.31 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 0.31 0.83 -0.62 4.04 3.32 -1.94 -1.00 116.42 121.36 1ti6 h ASP 589 Ca -0.50 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 1ti6 h ASP 589 Cb 1.33 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1ti6 h ASP 589 CO 0.52 0.51 0.34 0.22 -1.72 0.00 0.00 179.24 179.11 1ti6 h TYR 590 N 0.93 0.85 -0.10 4.55 5.03 -1.93 -0.41 116.97 125.88 1ti6 h TYR 590 Ca 0.39 -0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.58 1ti6 h TYR 590 Cb 0.30 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 1ti6 h TYR 590 CO -0.00 0.61 -0.40 0.93 -1.32 0.00 0.00 178.16 177.98 1ti6 h GLU 591 N 0.84 0.22 -0.17 1.82 4.39 -1.67 0.83 114.58 120.84 1ti6 h GLU 591 Ca 0.22 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1ti6 h GLU 591 Cb 0.04 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1ti6 h GLU 591 CO -0.04 0.59 0.01 0.82 -1.16 0.00 0.00 179.01 179.23 1ti6 h ILE 592 N 0.19 1.24 -0.12 3.13 2.04 -0.67 -1.30 117.51 122.03 1ti6 h ILE 592 Ca 0.02 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 1ti6 h ILE 592 Cb 0.79 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1ti6 h ILE 592 CO 0.06 0.24 -0.24 1.88 0.00 0.00 0.00 178.15 180.09 1ti6 h TYR 593 N 0.06 0.22 -0.37 1.37 0.99 -0.86 -1.48 116.97 116.90 1ti6 h TYR 593 Ca 0.05 -0.04 -0.11 0.00 2.00 0.00 0.00 58.73 60.63 1ti6 h TYR 593 Cb 0.35 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.01 1ti6 h TYR 593 CO 0.03 0.43 -0.22 -0.09 -0.00 0.00 0.00 178.16 178.31 1ti6 h ARG 594 N 0.18 0.72 -0.39 4.88 2.43 -0.59 0.17 114.38 121.79 1ti6 h ARG 594 Ca 0.03 -0.28 -0.07 0.00 -0.81 0.00 0.00 59.98 58.84 1ti6 h ARG 594 Cb 0.53 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1ti6 h ARG 594 CO 0.04 0.88 -0.05 1.25 -1.51 0.00 0.00 179.97 180.58 1ti6 h LEU 595 N 0.63 0.71 -0.37 3.80 5.85 -0.61 -2.04 115.31 123.28 1ti6 h LEU 595 Ca 0.09 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 1ti6 h LEU 595 Cb 0.71 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1ti6 h LEU 595 CO 0.05 0.88 0.02 -0.26 -0.34 0.00 0.00 178.44 178.80 1ti6 h PHE 596 N 0.53 0.69 -0.83 1.25 -1.00 -1.08 -2.76 116.94 113.74 1ti6 h PHE 596 Ca 0.10 -0.11 0.12 0.00 2.81 0.00 0.00 57.97 60.89 1ti6 h PHE 596 Cb 0.55 -0.18 -0.08 0.00 3.61 0.00 0.00 35.95 39.84 1ti6 h PHE 596 CO 0.04 0.72 0.45 0.00 -1.61 0.00 0.00 178.31 177.91 1ti6 h ALA 597 N 0.88 1.22 -0.63 2.45 0.00 -0.54 0.17 119.26 122.82 1ti6 h ALA 597 Ca 0.11 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ti6 h ALA 597 Cb 0.43 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1ti6 h ALA 597 CO 0.01 -0.01 0.35 -0.22 0.00 0.00 0.00 179.25 179.38 1ti6 h LYS 598 N 0.69 0.88 0.00 0.00 3.64 -1.20 0.96 116.57 121.54 1ti6 h LYS 598 Ca 0.43 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1ti6 h LYS 598 Cb 0.52 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1ti6 h LYS 598 CO -0.31 0.66 0.00 0.87 -2.27 0.00 0.00 179.45 178.40 1ti6 h LYS 599 N 0.86 0.00 -0.26 1.90 1.57 -0.87 -2.77 116.57 117.00 1ti6 h LYS 599 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1ti6 h LYS 599 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1ti6 h LYS 599 CO -0.04 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.12 1ti6 n LEU 600 N -2.73 2.99 -1.85 2.94 4.77 0.45 -4.95 117.00 118.62 1ti6 n LEU 600 Ca 0.03 -1.21 -0.16 0.00 -0.03 0.00 0.00 56.01 54.65 1ti6 n LEU 600 Cb 0.40 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1ti6 n LEU 600 CO 0.29 0.60 -0.18 -3.20 -1.33 0.00 0.00 177.39 173.58 1ti6 n ASN 601 N 1.22 -4.72 -0.69 -1.43 5.15 -0.62 -4.91 115.26 109.25 1ti6 n ASN 601 Ca 0.18 -0.04 0.05 0.00 -0.60 0.00 0.00 54.58 54.17 1ti6 n ASN 601 Cb 0.55 -3.82 0.10 0.00 -0.53 0.00 0.00 39.78 36.09 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 -4.04 1.13 -0.04 -1.44 -5.35 0.24 -4.89 119.36 104.97 1ti6 n ILE 602 Ca -0.17 -1.81 -0.09 0.00 -0.27 0.00 0.00 62.75 60.41 1ti6 n ILE 602 Cb 0.63 0.23 -0.02 0.00 -1.74 0.00 0.00 39.64 38.74 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 0.58 0.11 -0.51 6.28 4.81 -1.80 -1.76 114.58 122.29 1ti6 h GLU 603 Ca -0.06 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1ti6 h GLU 603 Cb 1.31 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 1ti6 h GLU 603 CO 0.03 0.07 0.28 1.49 -0.73 0.00 0.00 179.01 180.15 1ti6 h GLU 604 N 0.11 0.53 -0.49 1.92 4.57 -1.91 -0.27 114.58 119.04 1ti6 h GLU 604 Ca 0.10 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 1ti6 h GLU 604 Cb 0.10 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1ti6 h GLU 604 CO -0.13 0.35 0.08 0.52 -1.18 0.00 0.00 179.01 178.65 1ti6 h MET 605 N 0.55 0.82 0.38 1.92 2.86 -1.90 0.14 114.93 119.69 1ti6 h MET 605 Ca 0.22 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1ti6 h MET 605 Cb 0.09 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1ti6 h MET 605 CO -0.13 0.82 -0.18 0.35 1.06 0.00 0.00 176.91 178.83 1ti6 h PHE 606 N 0.69 -0.47 0.00 -0.22 3.57 -1.08 -3.37 116.94 116.06 1ti6 h PHE 606 Ca 0.15 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 1ti6 h PHE 606 Cb 0.40 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1ti6 h PHE 606 CO 0.03 -0.15 -0.81 0.66 -2.23 0.00 0.00 178.31 175.80 1ti6 h SER 607 N -0.99 0.00 -2.67 0.41 4.64 -1.14 -3.47 113.55 110.33 1ti6 h SER 607 Ca -0.05 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.95 1ti6 h SER 607 Cb 0.52 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.56 1ti6 h SER 607 CO 0.08 0.53 -0.37 -0.62 -0.87 0.00 0.00 176.83 175.58 1ti6 n GLU 608 N -3.11 -1.76 -1.16 4.77 1.02 0.48 -0.47 120.64 120.41 1ti6 n GLU 608 Ca -0.02 0.83 -0.05 0.00 -0.02 0.00 0.00 57.16 57.90 1ti6 n GLU 608 Cb 0.77 -5.34 -0.02 0.00 -0.02 0.00 0.00 31.44 26.82 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 -0.68 0.77 3.62 0.62 0.00 -1.26 -5.02 105.19 103.24 1ti6 n GLY 609 Ca -0.18 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.02 2.77 0.62 1.61 1.02 0.38 -5.10 119.74 119.02 1ti6 s LYS 610 Ca 0.00 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 55.46 1ti6 s LYS 610 Cb 0.00 -2.63 0.08 0.00 -0.52 0.00 0.00 37.83 34.76 1ti6 s LYS 610 CO 0.00 0.66 0.86 0.16 -0.92 0.00 0.00 175.35 176.11 1ti6 s ASP 611 N -1.07 4.85 0.27 2.83 1.47 -1.26 -4.87 116.67 118.89 1ti6 s ASP 611 Ca 0.15 -0.36 0.01 0.00 1.18 0.00 0.00 52.55 53.53 1ti6 s ASP 611 Cb -0.11 -0.24 0.62 0.00 -0.34 0.00 0.00 42.92 42.84 1ti6 s ASP 611 CO 0.04 -1.48 1.74 -0.33 0.68 0.00 0.00 175.17 175.82 1ti6 h GLU 612 N -0.14 0.52 -0.09 2.11 5.08 -1.99 -1.11 114.58 118.98 1ti6 h GLU 612 Ca -0.37 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 1ti6 h GLU 612 Cb 1.28 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1ti6 h GLU 612 CO 0.44 0.35 -0.38 1.25 -1.00 0.00 0.00 179.01 179.67 1ti6 h LEU 613 N 0.54 0.19 -0.47 1.33 5.85 -1.94 -1.48 115.31 119.32 1ti6 h LEU 613 Ca 0.50 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.99 1ti6 h LEU 613 Cb 0.82 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1ti6 h LEU 613 CO -0.43 0.56 -0.48 0.00 -0.34 0.00 0.00 178.44 177.75 1ti6 h ALA 614 N 1.46 0.65 -0.39 1.25 0.00 -1.59 -2.53 119.26 118.11 1ti6 h ALA 614 Ca 0.02 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1ti6 h ALA 614 Cb 0.75 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ti6 h ALA 614 CO 0.06 0.68 -0.19 -1.49 0.00 0.00 0.00 179.25 178.30 1ti6 h TRP 615 N 0.57 0.83 -0.87 0.00 4.06 -1.12 -2.56 115.95 116.85 1ti6 h TRP 615 Ca 0.03 -0.18 0.02 0.00 2.06 0.00 0.00 58.89 60.82 1ti6 h TRP 615 Cb 1.04 -0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 28.95 1ti6 h TRP 615 CO 0.05 0.88 0.57 0.00 -3.56 0.00 0.00 178.44 176.38 1ti6 h GLU 617 N 1.16 1.00 -0.38 0.00 4.81 -1.30 0.21 114.58 120.09 1ti6 h GLU 617 Ca 0.33 -0.39 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1ti6 h GLU 617 Cb -0.10 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1ti6 h GLU 617 CO -0.08 1.08 0.04 0.37 -0.73 0.00 0.00 179.01 179.69 1ti6 h GLN 618 N 0.88 0.63 -0.07 1.92 4.15 -1.04 -1.67 115.11 119.92 1ti6 h GLN 618 Ca 0.13 -0.18 0.03 0.00 0.77 0.00 0.00 58.65 59.39 1ti6 h GLN 618 Cb 0.73 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.32 1ti6 h GLN 618 CO 0.06 0.71 -0.10 -0.92 -1.93 0.00 0.00 178.83 176.65 1ti6 h TYR 619 N 0.47 -0.24 -0.53 3.99 3.20 -0.49 -2.58 116.97 120.79 1ti6 h TYR 619 Ca 0.11 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.09 1ti6 h TYR 619 Cb 0.39 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.70 1ti6 h TYR 619 CO 0.03 -0.15 0.06 0.35 -1.64 0.00 0.00 178.16 176.81 1ti6 h PHE 620 N -0.14 0.09 0.00 -3.82 3.57 -0.35 -0.88 116.94 115.41 1ti6 h PHE 620 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1ti6 h PHE 620 Cb 0.22 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1ti6 h PHE 620 CO -0.19 -0.06 0.00 0.09 -2.23 0.00 0.00 178.31 175.91 1ti6 n ASN 621 N -5.17 0.04 -0.71 0.41 3.02 -0.65 -2.05 115.26 110.15 1ti6 n ASN 621 Ca 0.06 0.51 0.12 0.00 -0.03 0.00 0.00 54.58 55.25 1ti6 n ASN 621 Cb 0.28 -0.52 0.34 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.52 2.51 -3.48 5.41 0.00 -0.34 -4.92 120.51 118.18 1ti6 n ALA 622 Ca 0.03 -0.60 -0.07 0.00 0.00 0.00 0.00 53.44 52.80 1ti6 n ALA 622 Cb 0.14 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.69 0.00 1.50 0.00 -2.24 -0.87 -4.73 114.28 108.63 1ti6 n THR 623 Ca 0.17 -0.53 0.14 0.00 -2.27 0.00 0.00 64.05 61.56 1ti6 n THR 623 Cb 0.45 -0.48 0.57 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.13 1.02 -0.34 3.42 10.43 -0.72 -4.30 116.55 123.93 1ti6 n ASP 624 Ca 0.00 -1.15 0.07 0.00 2.57 0.00 0.00 54.79 56.29 1ti6 n ASP 624 Cb 0.16 0.02 0.24 0.00 1.84 0.00 0.00 41.12 43.37 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 1.49 0.86 -0.10 -1.24 2.86 -1.79 -1.08 114.93 115.93 1ti6 h MET 625 Ca 0.00 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1ti6 h MET 625 Cb 0.41 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1ti6 h MET 625 CO 0.00 0.57 0.29 -1.35 1.06 0.00 0.00 176.91 177.48 1ti6 h PRO 626 N 0.88 0.00 0.00 -0.22 0.11 -1.75 0.27 132.00 131.30 1ti6 h PRO 626 Ca 0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.57 1ti6 h PRO 626 Cb 0.55 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 1ti6 h PRO 626 CO -0.29 0.00 -0.15 0.87 -0.21 0.00 0.00 178.00 178.21 1ti6 h LYS 627 N 0.00 0.00 0.00 1.05 1.57 -1.51 -3.30 116.57 114.37 1ti6 h LYS 627 Ca 0.05 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 1ti6 h LYS 627 Cb 0.63 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1ti6 h LYS 627 CO -0.00 0.15 -1.81 0.66 -0.57 0.00 0.00 179.45 177.88 1ti6 n TYR 628 N -3.66 0.00 -3.57 -1.35 4.02 0.85 -5.08 117.16 108.37 1ti6 n TYR 628 Ca -0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.73 1ti6 n TYR 628 Cb 0.27 -0.56 -0.05 0.00 -0.02 0.00 0.00 39.34 38.98 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 -2.29 1.03 0.82 -0.72 0.23 -0.53 -5.12 119.30 112.72 1ti6 s MET 629 Ca -0.15 -0.16 -0.12 0.00 -1.03 0.00 0.00 55.69 54.23 1ti6 s MET 629 Cb 0.05 0.47 0.08 0.00 -1.53 0.00 0.00 34.83 33.90 1ti6 s MET 629 CO 0.38 -0.36 1.13 0.95 -2.03 0.00 0.00 175.02 175.08 1ti6 s THR 630 N -2.22 2.59 0.10 3.16 -4.23 -1.26 -3.82 115.64 109.95 1ti6 s THR 630 Ca -0.06 0.19 -0.22 0.00 -1.18 0.00 0.00 61.69 60.41 1ti6 s THR 630 Cb -0.01 -3.04 -0.12 0.00 1.34 0.00 0.00 72.50 70.67 1ti6 s THR 630 CO 0.00 -0.25 1.73 -0.25 -0.54 0.00 0.00 174.62 175.31 1ti6 h TRP 631 N -1.13 -0.03 -0.54 3.99 2.91 -1.96 -0.42 115.95 118.76 1ti6 h TRP 631 Ca -0.47 0.00 0.10 0.00 1.13 0.00 0.00 58.89 59.65 1ti6 h TRP 631 Cb 1.30 0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 29.89 1ti6 h TRP 631 CO 0.39 -0.03 0.09 -0.44 -1.03 0.00 0.00 178.44 177.42 1ti6 h ASP 632 N -0.01 -0.04 -0.60 2.65 3.45 -1.99 0.29 116.42 120.18 1ti6 h ASP 632 Ca 0.03 0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.55 1ti6 h ASP 632 Cb 0.04 0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.94 1ti6 h ASP 632 CO -0.05 0.00 0.21 -0.33 -1.57 0.00 0.00 179.24 177.50 1ti6 h GLU 633 N 0.22 0.92 -0.37 3.56 5.08 -1.84 -2.10 114.58 120.06 1ti6 h GLU 633 Ca 0.28 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1ti6 h GLU 633 Cb 0.40 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ti6 h GLU 633 CO -0.38 0.81 0.01 0.35 -1.00 0.00 0.00 179.01 178.79 1ti6 h PHE 634 N 0.85 0.70 -0.82 4.33 3.57 -0.20 -1.43 116.94 123.94 1ti6 h PHE 634 Ca 0.20 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1ti6 h PHE 634 Cb 0.25 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 1ti6 h PHE 634 CO 0.02 0.73 0.49 0.35 -2.23 0.00 0.00 178.31 177.67 1ti6 h PHE 635 N 0.46 0.90 -0.19 0.41 3.57 -0.30 0.15 116.94 121.93 1ti6 h PHE 635 Ca 0.10 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 1ti6 h PHE 635 Cb 0.45 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1ti6 h PHE 635 CO 0.04 0.43 -0.12 -0.22 -2.23 0.00 0.00 178.31 176.21 1ti6 h LYS 636 N 0.88 0.42 -0.43 1.11 3.64 -1.21 -3.25 116.57 117.72 1ti6 h LYS 636 Ca 0.37 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 1ti6 h LYS 636 Cb 0.22 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1ti6 h LYS 636 CO -0.19 0.74 -0.21 -0.22 -2.27 0.00 0.00 179.45 177.29 1ti6 h LYS 637 N 0.10 0.90 0.00 1.90 3.64 -0.92 -3.47 116.57 118.72 1ti6 h LYS 637 Ca 0.04 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1ti6 h LYS 637 Cb 0.63 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1ti6 h LYS 637 CO 0.03 1.05 0.00 0.41 -2.27 0.00 0.00 179.45 178.67 1ti6 n GLY 638 N -0.07 2.95 3.40 5.01 0.00 0.49 -4.98 105.19 111.99 1ti6 n GLY 638 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.17 -0.43 -0.02 1.61 -0.85 -1.26 -0.21 117.35 114.01 1ti6 s TYR 639 Ca 0.00 0.38 0.00 0.00 -0.52 0.00 0.00 57.07 56.94 1ti6 s TYR 639 Cb 0.00 0.39 0.03 0.00 0.38 0.00 0.00 41.96 42.75 1ti6 s TYR 639 CO 0.00 -0.70 0.02 0.12 -1.52 0.00 0.00 175.55 173.47 1ti6 s PHE 640 N -2.90 0.08 -0.38 -3.49 5.36 0.14 -4.98 117.98 111.81 1ti6 s PHE 640 Ca -0.03 0.09 -0.16 0.00 -0.96 0.00 0.00 56.93 55.88 1ti6 s PHE 640 Cb -0.00 -0.25 0.00 0.00 -0.34 0.00 0.00 43.02 42.43 1ti6 s PHE 640 CO -0.05 -0.09 0.37 0.08 -1.46 0.00 0.00 175.22 174.06 1ti6 s VAL 641 N 0.96 5.17 0.21 3.12 1.01 -1.26 -0.99 120.40 128.62 1ti6 s VAL 641 Ca -0.08 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 1ti6 s VAL 641 Cb -0.12 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 1ti6 s VAL 641 CO -0.02 -0.22 1.59 -0.69 0.00 0.00 0.00 175.10 175.76 1ti6 s VAL 642 N 1.98 2.37 0.80 2.92 1.01 -0.65 -4.31 120.40 124.52 1ti6 s VAL 642 Ca 0.10 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 1ti6 s VAL 642 Cb -0.17 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.11 1ti6 s VAL 642 CO 0.12 0.03 1.18 -2.84 0.00 0.00 0.00 175.10 173.59 1ti6 s PRO 643 N 0.60 1.73 0.50 2.72 0.02 -1.26 -4.68 135.00 134.63 1ti6 s PRO 643 Ca 0.68 1.67 -0.19 0.00 0.02 0.00 0.00 61.00 63.19 1ti6 s PRO 643 Cb -0.46 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 32.19 1ti6 s PRO 643 CO 0.36 -2.13 1.01 0.34 -0.33 0.00 0.00 177.00 176.26 1ti6 s ASP 644 N -2.31 6.44 -0.73 2.53 3.68 -1.26 -4.61 116.67 120.41 1ti6 s ASP 644 Ca 0.71 1.76 0.04 0.00 2.13 0.00 0.00 52.55 57.19 1ti6 s ASP 644 Cb -0.27 -2.54 0.22 0.00 -1.45 0.00 0.00 42.92 38.88 1ti6 s ASP 644 CO 0.50 -0.71 0.69 -3.20 0.13 0.00 0.00 175.17 172.58 1ti6 n ASN 645 N -1.27 3.67 -0.34 -0.34 2.85 -1.26 -4.96 115.26 113.61 1ti6 n ASN 645 Ca 0.08 -3.31 0.16 0.00 -0.11 0.00 0.00 54.58 51.39 1ti6 n ASN 645 Cb 0.53 -0.79 0.37 0.00 1.24 0.00 0.00 39.78 41.14 1ti6 n ASN 645 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ti6 h PRO 646 N 4.97 0.64 -0.07 1.20 0.11 -1.94 -3.00 132.00 133.90 1ti6 h PRO 646 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1ti6 h PRO 646 Cb 0.71 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1ti6 h PRO 646 CO 0.82 0.42 0.00 0.09 -0.21 0.00 0.00 178.00 179.12 1ti6 n ASN 647 N -4.75 1.54 -4.77 -2.05 3.02 -1.26 -4.93 115.26 102.05 1ti6 n ASN 647 Ca 0.24 -1.57 -0.38 0.00 -0.03 0.00 0.00 54.58 52.84 1ti6 n ASN 647 Cb 0.65 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 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 -1.92 4.00 0.28 3.52 1.70 -1.14 -4.96 118.95 120.42 1ti6 s ARG 648 Ca 0.36 1.79 -0.29 0.00 -0.47 0.00 0.00 55.73 57.11 1ti6 s ARG 648 Cb 0.20 -2.60 -0.09 0.00 -0.57 0.00 0.00 34.95 31.88 1ti6 s ARG 648 CO 0.31 -0.35 1.17 -1.59 -1.08 0.00 0.00 175.30 173.76 1ti6 s LYS 649 N -2.41 4.54 0.20 3.89 -2.85 -1.26 -4.99 119.74 116.86 1ti6 s LYS 649 Ca 0.59 1.92 -0.30 0.00 -1.00 0.00 0.00 55.97 57.18 1ti6 s LYS 649 Cb -0.29 -3.17 -0.08 0.00 -2.06 0.00 0.00 37.83 32.23 1ti6 s LYS 649 CO 0.36 0.06 0.96 0.15 0.10 0.00 0.00 175.35 176.98 1ti6 s LYS 650 N -1.31 4.79 -0.39 1.78 -0.14 -1.26 -5.02 119.74 118.20 1ti6 s LYS 650 Ca 0.47 1.50 0.01 0.00 -1.36 0.00 0.00 55.97 56.60 1ti6 s LYS 650 Cb -0.34 -3.30 0.12 0.00 -1.68 0.00 0.00 37.83 32.63 1ti6 s LYS 650 CO 0.43 0.40 0.19 0.95 -0.76 0.00 0.00 175.35 176.56 1ti6 s THR 651 N -0.82 1.29 0.24 2.17 -4.23 -1.26 -5.11 115.64 107.91 1ti6 s THR 651 Ca 0.43 -2.20 -0.30 0.00 -1.18 0.00 0.00 61.69 58.45 1ti6 s THR 651 Cb -0.26 -1.93 -0.09 0.00 1.34 0.00 0.00 72.50 71.57 1ti6 s THR 651 CO 0.32 -0.82 1.30 -0.69 -0.54 0.00 0.00 174.62 174.19 1ti6 s VAL 652 N 0.76 3.10 -0.08 2.29 1.01 -1.26 -4.41 120.40 121.80 1ti6 s VAL 652 Ca 0.15 0.96 -0.39 0.00 0.00 0.00 0.00 61.98 62.70 1ti6 s VAL 652 Cb -0.22 -3.61 -0.17 0.00 0.00 0.00 0.00 36.38 32.38 1ti6 s VAL 652 CO -0.07 0.17 1.44 0.00 0.00 0.00 0.00 175.10 176.64 1ti6 n ALA 653 N 2.09 -1.18 -0.70 5.51 0.00 -0.63 -1.63 120.51 123.97 1ti6 n ALA 653 Ca 0.04 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1ti6 n ALA 653 Cb 0.43 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 3.34 0.78 -0.23 0.00 4.77 -1.26 -4.49 117.00 119.92 1ti6 n LEU 654 Ca 0.22 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.16 1ti6 n LEU 654 Cb 0.13 -1.38 0.12 0.00 -2.33 0.00 0.00 43.42 39.96 1ti6 n LEU 654 CO 0.70 -0.48 1.03 -0.09 -1.33 0.00 0.00 177.39 177.21 1ti6 h ARG 655 N 0.55 1.05 -0.57 3.23 2.43 -1.44 -0.46 114.38 119.17 1ti6 h ARG 655 Ca 0.00 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1ti6 h ARG 655 Cb 0.19 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1ti6 h ARG 655 CO 0.00 0.87 0.38 0.11 -1.51 0.00 0.00 179.97 179.82 1ti6 h TRP 656 N 1.02 0.65 -0.07 2.20 5.08 -1.89 -0.05 115.95 122.89 1ti6 h TRP 656 Ca 0.23 0.02 -0.13 0.00 1.08 0.00 0.00 58.89 60.09 1ti6 h TRP 656 Cb 0.24 -0.22 0.01 0.00 -3.00 0.00 0.00 29.16 26.18 1ti6 h TRP 656 CO 0.02 0.39 -0.46 0.35 -1.28 0.00 0.00 178.44 177.46 1ti6 h PHE 657 N 0.68 0.60 -0.84 0.12 3.57 -1.58 -0.52 116.94 118.97 1ti6 h PHE 657 Ca 0.22 -0.28 0.05 0.00 3.53 0.00 0.00 57.97 61.49 1ti6 h PHE 657 Cb 0.04 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 1ti6 h PHE 657 CO -0.00 1.05 0.55 0.00 -2.23 0.00 0.00 178.31 177.68 1ti6 h ALA 658 N 0.42 1.51 -0.40 2.41 0.00 -0.53 -1.91 119.26 120.77 1ti6 h ALA 658 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ti6 h ALA 658 Cb 1.12 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ti6 h ALA 658 CO 0.09 0.39 0.00 0.39 0.00 0.00 0.00 179.25 180.12 1ti6 n GLU 659 N -4.46 2.06 -3.81 0.00 1.02 -0.09 -4.96 120.64 110.41 1ti6 n GLU 659 Ca 0.12 -1.64 -0.28 0.00 -0.02 0.00 0.00 57.16 55.34 1ti6 n GLU 659 Cb 0.14 -1.39 0.04 0.00 -0.02 0.00 0.00 31.44 30.22 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 1.26 -0.50 3.66 0.62 0.00 -0.72 -5.00 105.19 104.51 1ti6 n GLY 660 Ca 0.16 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -6.49 2.09 0.36 1.61 1.70 -0.26 -4.97 118.95 112.99 1ti6 s ARG 661 Ca 0.60 -2.31 -0.28 0.00 -0.47 0.00 0.00 55.73 53.26 1ti6 s ARG 661 Cb -0.29 -1.11 -0.11 0.00 -0.57 0.00 0.00 34.95 32.87 1ti6 s ARG 661 CO 0.80 -0.42 1.45 -1.21 -1.08 0.00 0.00 175.30 174.83 1ti6 s GLU 662 N -3.80 4.17 0.19 3.89 8.01 -1.26 -4.47 118.70 125.43 1ti6 s GLU 662 Ca 0.13 2.48 -0.33 0.00 0.01 0.00 0.00 54.97 57.26 1ti6 s GLU 662 Cb 0.02 -3.00 -0.14 0.00 -4.31 0.00 0.00 34.13 26.70 1ti6 s GLU 662 CO 0.08 -0.45 1.53 1.17 0.01 0.00 0.00 175.26 177.60 1ti6 n LYS 663 N 0.66 2.14 0.00 1.61 0.00 -0.75 -4.86 118.16 116.96 1ti6 n LYS 663 Ca 0.01 0.77 0.00 0.00 0.00 0.00 0.00 58.31 59.09 1ti6 n LYS 663 Cb 0.40 -2.51 0.00 0.00 0.00 0.00 0.00 35.03 32.92 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 3.02 0.83 -4.64 3.14 5.75 -1.26 -5.07 116.55 118.32 1ti6 n ASP 664 Ca 0.15 -1.26 -0.25 0.00 -0.01 0.00 0.00 54.79 53.42 1ti6 n ASP 664 Cb 0.30 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.50 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 -0.26 2.18 -2.01 2.12 -4.23 -1.26 -4.92 115.64 107.26 1ti6 s THR 665 Ca 0.00 -0.40 0.06 0.00 -1.18 0.00 0.00 61.69 60.17 1ti6 s THR 665 Cb 0.00 -2.78 0.17 0.00 1.34 0.00 0.00 72.50 71.23 1ti6 s THR 665 CO 0.00 0.00 1.17 -2.65 -0.54 0.00 0.00 174.62 172.60 1ti6 n PRO 666 N -3.01 1.29 -1.26 3.99 -0.02 -1.26 -4.94 135.00 129.79 1ti6 n PRO 666 Ca 0.13 -0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 60.81 1ti6 n PRO 666 Cb 0.60 -1.13 0.10 0.00 -0.02 0.00 0.00 33.50 33.05 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 -0.17 0.62 -0.33 2.55 2.03 -1.26 -4.89 116.55 115.10 1ti6 n ASP 667 Ca 0.06 0.63 0.04 0.00 0.52 0.00 0.00 54.79 56.04 1ti6 n ASP 667 Cb 0.11 -1.44 0.16 0.00 -0.72 0.00 0.00 41.12 39.24 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 -2.81 0.22 -3.83 -0.67 7.02 -1.26 -4.89 117.44 111.23 1ti6 n TRP 668 Ca 0.13 -0.11 -0.07 0.00 -1.02 0.00 0.00 57.50 56.43 1ti6 n TRP 668 Cb 0.50 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.40 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 -1.13 0.18 0.69 6.99 0.00 -1.26 -4.65 107.32 108.14 1ti6 s GLY 669 Ca 0.16 -0.52 -0.12 0.00 0.00 0.00 0.00 44.72 44.24 1ti6 s GLY 669 CO 0.12 0.20 1.07 2.56 0.00 0.00 0.00 173.10 177.05 1ti6 s PRO 670 N -2.71 2.86 0.55 2.90 0.04 -1.26 -5.06 135.00 132.31 1ti6 s PRO 670 Ca 0.15 1.09 -0.19 0.00 0.04 0.00 0.00 61.00 62.09 1ti6 s PRO 670 Cb -0.05 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1ti6 s PRO 670 CO 0.09 -1.16 1.14 1.03 0.04 0.00 0.00 177.00 178.13 1ti6 s ARG 671 N -4.73 3.33 0.38 4.56 0.52 -1.26 -4.91 118.95 116.84 1ti6 s ARG 671 Ca 0.61 1.63 0.14 0.00 -0.52 0.00 0.00 55.73 57.58 1ti6 s ARG 671 Cb -0.16 -2.00 0.98 0.00 0.52 0.00 0.00 34.95 34.30 1ti6 s ARG 671 CO 0.50 -0.87 1.83 -0.07 0.02 0.00 0.00 175.30 176.71 1ti6 h LEU 672 N 1.17 0.52 -0.53 2.53 3.38 -1.98 -0.02 115.31 120.39 1ti6 h LEU 672 Ca -0.50 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1ti6 h LEU 672 Cb 1.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1ti6 h LEU 672 CO 0.57 0.20 0.00 -0.55 0.09 0.00 0.00 178.44 178.75 1ti6 h ASN 673 N 0.52 0.00 -0.53 -0.43 7.08 -2.03 -2.79 115.58 117.39 1ti6 h ASN 673 Ca 0.51 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.73 1ti6 h ASN 673 Cb 1.10 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.34 1ti6 h ASN 673 CO -0.24 0.00 0.00 0.59 -2.08 0.00 0.00 177.43 175.70 1ti6 n ASN 674 N -2.31 4.07 -4.14 6.14 5.03 -0.02 -4.91 115.26 119.13 1ti6 n ASN 674 Ca 0.03 -2.39 -0.09 0.00 0.87 0.00 0.00 54.58 53.00 1ti6 n ASN 674 Cb 0.30 -0.53 -0.10 0.00 -1.02 0.00 0.00 39.78 38.42 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 -1.83 0.77 -0.32 3.52 -0.21 -1.05 -4.33 119.66 116.20 1ti6 s GLN 675 Ca 0.42 -1.30 -0.06 0.00 0.02 0.00 0.00 55.36 54.44 1ti6 s GLN 675 Cb 0.28 -0.05 0.03 0.00 1.00 0.00 0.00 33.01 34.27 1ti6 s GLN 675 CO 0.20 -0.06 0.08 0.08 -2.12 0.00 0.00 175.29 173.47 1ti6 s VAL 676 N -3.74 3.76 -1.52 1.09 1.01 -1.23 -4.57 120.40 115.20 1ti6 s VAL 676 Ca 0.11 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1ti6 s VAL 676 Cb 0.06 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1ti6 s VAL 676 CO -0.06 -0.06 0.50 0.00 0.00 0.00 0.00 175.10 175.48 1ti6 n ARG 678 N -3.74 -1.43 -4.42 0.00 1.74 -1.26 -4.83 116.66 102.72 1ti6 n ARG 678 Ca -0.13 1.03 -0.26 0.00 -0.77 0.00 0.00 57.85 57.72 1ti6 n ARG 678 Cb 0.63 -5.48 -0.12 0.00 -1.02 0.00 0.00 32.46 26.47 1ti6 n ARG 678 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ti6 s LYS 679 N -4.34 1.52 0.00 5.56 1.02 -1.05 -1.80 119.74 120.65 1ti6 s LYS 679 Ca 0.00 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.45 1ti6 s LYS 679 Cb 0.00 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1ti6 s LYS 679 CO 0.00 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 1ti6 n GLY 680 N 0.19 -1.20 3.78 -3.33 0.00 -1.26 -3.52 105.19 99.85 1ti6 n GLY 680 Ca -0.12 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.55 2.08 0.47 0.99 1.43 -0.08 -4.88 118.68 115.14 1ti6 s LEU 681 Ca 0.00 1.05 0.32 0.00 -1.03 0.00 0.00 54.13 54.47 1ti6 s LEU 681 Cb 0.00 -3.41 1.54 0.00 0.03 0.00 0.00 46.19 44.34 1ti6 s LEU 681 CO 0.00 -2.50 1.96 -0.61 0.23 0.00 0.00 176.35 175.44 1ti6 h GLN 682 N -1.46 0.00 -7.23 1.70 4.15 -1.76 -3.37 115.11 107.14 1ti6 h GLN 682 Ca -0.50 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.39 1ti6 h GLN 682 Cb 1.32 0.00 0.19 0.00 0.21 0.00 0.00 27.48 29.20 1ti6 h GLN 682 CO 0.61 0.00 0.29 0.95 -1.93 0.00 0.00 178.83 178.75 1ti6 s THR 683 N -3.70 2.03 0.18 2.39 -4.23 -1.26 -4.86 115.64 106.20 1ti6 s THR 683 Ca -0.01 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.37 1ti6 s THR 683 Cb 0.10 -2.26 0.14 0.00 1.34 0.00 0.00 72.50 71.82 1ti6 s THR 683 CO 0.40 -0.01 1.66 0.74 -0.54 0.00 0.00 174.62 176.87 1ti6 h THR 684 N -1.30 0.53 0.00 3.99 2.02 -1.90 -0.60 112.91 115.64 1ti6 h THR 684 Ca -0.45 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1ti6 h THR 684 Cb 1.29 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1ti6 h THR 684 CO 0.44 0.01 0.00 0.35 0.37 0.00 0.00 175.52 176.69 1ti6 n THR 685 N -5.32 0.41 -0.99 3.16 -2.24 -1.26 -4.89 114.28 103.14 1ti6 n THR 685 Ca 0.05 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1ti6 n THR 685 Cb 0.27 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1ti6 n THR 685 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ti6 n GLY 686 N 1.32 0.65 3.76 3.38 0.00 -0.23 -4.92 105.19 109.14 1ti6 n GLY 686 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.07 2.17 -0.26 1.61 1.02 -1.26 -0.90 119.74 122.05 1ti6 s LYS 687 Ca 0.00 -2.28 -0.29 0.00 0.02 0.00 0.00 55.97 53.42 1ti6 s LYS 687 Cb 0.00 -1.65 0.01 0.00 -0.52 0.00 0.00 37.83 35.67 1ti6 s LYS 687 CO 0.00 -0.34 1.10 0.08 -0.92 0.00 0.00 175.35 175.27 1ti6 s VAL 688 N -2.83 4.53 -0.52 3.17 1.01 -0.24 -4.74 120.40 120.78 1ti6 s VAL 688 Ca 0.15 1.81 -0.17 0.00 0.00 0.00 0.00 61.98 63.77 1ti6 s VAL 688 Cb 0.02 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 32.20 1ti6 s VAL 688 CO 0.09 -0.31 0.53 -1.61 0.00 0.00 0.00 175.10 173.80 1ti6 s GLU 689 N 3.48 3.02 0.50 2.72 2.02 0.43 -0.67 118.70 130.20 1ti6 s GLU 689 Ca 0.47 -1.37 0.29 0.00 0.02 0.00 0.00 54.97 54.37 1ti6 s GLU 689 Cb -0.15 -4.20 1.25 0.00 0.10 0.00 0.00 34.13 31.12 1ti6 s GLU 689 CO 0.12 -1.26 1.96 0.74 0.02 0.00 0.00 175.26 176.83 1ti6 h PHE 690 N 8.93 0.00 -3.56 1.61 -1.00 -1.50 -3.26 116.94 118.15 1ti6 h PHE 690 Ca -0.29 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 59.85 1ti6 h PHE 690 Cb 1.10 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.26 1ti6 h PHE 690 CO 0.73 0.12 -0.72 0.42 -1.61 0.00 0.00 178.31 177.25 1ti6 s ILE 691 N -3.80 2.03 0.03 -0.55 1.01 -1.25 -2.10 121.20 116.58 1ti6 s ILE 691 Ca -0.00 -2.24 -0.30 0.00 0.00 0.00 0.00 60.65 58.11 1ti6 s ILE 691 Cb 0.11 -2.50 -0.08 0.00 0.01 0.00 0.00 42.46 40.00 1ti6 s ILE 691 CO 0.59 -0.63 1.69 0.00 0.00 0.00 0.00 174.94 176.59 1ti6 s ALA 692 N 0.95 3.65 0.21 9.38 0.00 0.28 -4.87 121.76 131.37 1ti6 s ALA 692 Ca 0.11 1.15 -0.04 0.00 0.00 0.00 0.00 51.96 53.18 1ti6 s ALA 692 Cb -0.19 -3.73 0.16 0.00 0.00 0.00 0.00 23.12 19.36 1ti6 s ALA 692 CO -0.11 -1.24 1.60 1.79 0.00 0.00 0.00 175.76 177.80 1ti6 h THR 693 N 5.12 1.28 -0.36 0.00 1.35 -1.90 -1.11 112.91 117.28 1ti6 h THR 693 Ca -0.43 -1.43 -0.01 0.00 -0.55 0.00 0.00 66.41 64.00 1ti6 h THR 693 Cb 1.20 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 1ti6 h THR 693 CO 0.94 0.47 0.20 0.77 -0.25 0.00 0.00 175.52 177.64 1ti6 h SER 694 N 0.63 0.46 -0.07 5.36 4.64 -1.91 -1.21 113.55 121.45 1ti6 h SER 694 Ca 0.07 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1ti6 h SER 694 Cb 0.81 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1ti6 h SER 694 CO 0.07 0.42 -0.33 -0.07 -0.87 0.00 0.00 176.83 176.05 1ti6 h LEU 695 N 0.46 0.58 -0.73 5.97 3.38 -1.89 -1.05 115.31 122.02 1ti6 h LEU 695 Ca 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1ti6 h LEU 695 Cb 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1ti6 h LEU 695 CO -0.02 0.87 0.32 0.50 0.09 0.00 0.00 178.44 180.20 1ti6 h LYS 696 N 0.47 1.07 -0.10 1.13 3.64 -0.93 0.12 116.57 121.97 1ti6 h LYS 696 Ca 0.05 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1ti6 h LYS 696 Cb 0.81 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1ti6 h LYS 696 CO 0.07 0.86 0.06 -0.91 -2.27 0.00 0.00 179.45 177.25 1ti6 h ASN 697 N 1.03 0.11 -0.22 4.20 -0.26 -0.94 -0.89 115.58 118.62 1ti6 h ASN 697 Ca 0.25 -0.05 0.04 0.00 -0.56 0.00 0.00 56.30 55.98 1ti6 h ASN 697 Cb 0.16 -0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.35 1ti6 h ASN 697 CO -0.03 0.13 -0.04 0.15 -1.06 0.00 0.00 177.43 176.58 1ti6 h PHE 698 N 0.09 -0.10 -0.01 1.19 3.57 -0.68 -0.29 116.94 120.72 1ti6 h PHE 698 Ca 0.03 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1ti6 h PHE 698 Cb 0.04 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1ti6 h PHE 698 CO -0.06 -0.08 -0.45 1.05 -2.23 0.00 0.00 178.31 176.55 1ti6 h GLU 699 N 0.01 0.02 0.00 1.11 4.11 -0.70 -2.33 114.58 116.81 1ti6 h GLU 699 Ca 0.11 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 1ti6 h GLU 699 Cb 0.16 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ti6 h GLU 699 CO -0.22 0.47 -0.03 0.93 0.07 0.00 0.00 179.01 180.23 1ti6 h GLU 700 N 0.02 0.00 -0.00 1.06 5.08 -0.56 -2.32 114.58 117.86 1ti6 h GLU 700 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ti6 h GLU 700 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1ti6 h GLU 700 CO 0.06 0.03 -0.03 1.04 -1.00 0.00 0.00 179.01 179.11 1ti6 n GLN 701 N -3.11 0.61 0.00 2.33 6.02 -0.17 -4.89 117.38 118.17 1ti6 n GLN 701 Ca 0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1ti6 n GLN 701 Cb 0.44 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.20 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 1.23 0.70 3.46 1.08 0.00 -0.87 -5.03 105.19 105.75 1ti6 n GLY 702 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1ti6 n GLY 702 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ti6 n TYR 703 N -1.15 4.92 -2.34 1.61 4.02 -0.95 -4.98 117.16 118.29 1ti6 n TYR 703 Ca 0.00 -3.33 -0.42 0.00 -0.01 0.00 0.00 57.90 54.14 1ti6 n TYR 703 Cb 0.00 -2.21 -0.03 0.00 -0.02 0.00 0.00 39.34 37.08 1ti6 n TYR 703 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ti6 s ILE 704 N 1.66 3.89 -0.32 -0.72 -1.09 -1.26 -4.12 121.20 119.23 1ti6 s ILE 704 Ca 0.43 1.32 0.01 0.00 -2.23 0.00 0.00 60.65 60.18 1ti6 s ILE 704 Cb -0.02 -3.84 0.14 0.00 -1.58 0.00 0.00 42.46 37.16 1ti6 s ILE 704 CO 0.01 0.06 0.32 -0.62 -1.23 0.00 0.00 174.94 173.47 1ti6 s ASP 705 N 1.33 1.59 0.39 3.58 -1.08 -1.26 -4.98 116.67 116.24 1ti6 s ASP 705 Ca 0.60 -1.09 0.11 0.00 -0.52 0.00 0.00 52.55 51.66 1ti6 s ASP 705 Cb -0.30 0.48 0.92 0.00 -1.46 0.00 0.00 42.92 42.55 1ti6 s ASP 705 CO 0.27 -0.34 1.92 -0.08 0.52 0.00 0.00 175.17 177.46 1ti6 h GLU 706 N 7.82 0.55 -0.70 4.34 4.81 -2.02 -2.28 114.58 127.10 1ti6 h GLU 706 Ca -0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1ti6 h GLU 706 Cb 1.06 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1ti6 h GLU 706 CO 0.29 0.36 0.00 0.72 -0.73 0.00 0.00 179.01 179.65 1ti6 n HIS 707 N -4.50 0.90 -2.87 0.92 8.25 -1.26 -4.14 115.22 112.51 1ti6 n HIS 707 Ca 0.14 -0.33 -0.12 0.00 -0.26 0.00 0.00 57.72 57.15 1ti6 n HIS 707 Cb 0.44 -0.24 0.04 0.00 1.12 0.00 0.00 29.99 31.35 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 0.36 0.91 -1.75 -0.41 0.63 -0.86 -4.78 116.66 110.77 1ti6 n ARG 708 Ca 0.13 -2.30 -0.34 0.00 -0.92 0.00 0.00 57.85 54.43 1ti6 n ARG 708 Cb 0.62 -1.29 0.05 0.00 0.45 0.00 0.00 32.46 32.29 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 -0.29 2.71 0.41 -0.14 0.04 -1.25 -4.83 135.00 131.66 1ti6 s PRO 709 Ca 0.29 1.52 0.11 0.00 0.04 0.00 0.00 61.00 62.97 1ti6 s PRO 709 Cb 0.27 -1.93 0.87 0.00 0.04 0.00 0.00 34.50 33.75 1ti6 s PRO 709 CO -0.11 -1.34 1.95 0.66 0.04 0.00 0.00 177.00 178.19 1ti6 h SER 710 N 0.13 0.14 -3.11 6.66 4.64 -1.89 -3.41 113.55 116.70 1ti6 h SER 710 Ca -0.47 -0.03 -0.61 0.00 -0.47 0.00 0.00 61.79 60.21 1ti6 h SER 710 Cb 1.26 -0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 63.22 1ti6 h SER 710 CO 0.53 0.30 -0.40 -0.32 -0.87 0.00 0.00 176.83 176.08 1ti6 s MET 711 N -4.70 4.02 -0.20 4.77 -2.45 -1.26 -0.55 119.30 118.93 1ti6 s MET 711 Ca -0.05 -0.03 -0.29 0.00 -1.25 0.00 0.00 55.69 54.08 1ti6 s MET 711 Cb 0.16 -3.35 -0.04 0.00 1.25 0.00 0.00 34.83 32.84 1ti6 s MET 711 CO 0.72 0.42 1.94 -1.58 1.05 0.00 0.00 175.02 177.57 1ti6 s HIS 712 N -0.05 1.54 0.29 4.11 2.46 -0.89 -4.94 115.29 117.82 1ti6 s HIS 712 Ca 0.14 0.39 0.03 0.00 0.47 0.00 0.00 55.06 56.09 1ti6 s HIS 712 Cb -0.12 -4.04 -0.04 0.00 -0.13 0.00 0.00 32.58 28.25 1ti6 s HIS 712 CO 0.03 -3.83 0.17 0.95 -2.47 0.00 0.00 174.74 169.59 1ti6 s THR 713 N 6.62 0.24 -1.14 0.89 -4.23 -1.26 -5.03 115.64 111.73 1ti6 s THR 713 Ca 0.87 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 59.19 1ti6 s THR 713 Cb -0.30 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.12 1ti6 s THR 713 CO 0.34 0.00 1.51 -0.47 -0.54 0.00 0.00 174.62 175.46 1ti6 s TYR 714 N -3.66 2.87 -0.28 3.99 5.04 -1.26 -4.91 117.35 119.13 1ti6 s TYR 714 Ca 0.37 -1.42 -0.24 0.00 -2.44 0.00 0.00 57.07 53.34 1ti6 s TYR 714 Cb 0.05 -4.60 -0.00 0.00 0.35 0.00 0.00 41.96 37.76 1ti6 s TYR 714 CO 0.18 -1.74 0.81 0.08 -1.34 0.00 0.00 175.55 173.55 1ti6 s VAL 715 N 3.81 4.80 0.22 3.14 1.01 -1.26 -5.00 120.40 127.12 1ti6 s VAL 715 Ca 0.46 1.34 -0.32 0.00 0.00 0.00 0.00 61.98 63.47 1ti6 s VAL 715 Cb 0.00 -4.14 -0.12 0.00 0.00 0.00 0.00 36.38 32.12 1ti6 s VAL 715 CO -0.02 -0.20 1.71 -2.84 0.00 0.00 0.00 175.10 173.76 1ti6 s PRO 716 N 2.95 4.12 0.15 2.72 0.02 -1.26 -4.88 135.00 138.81 1ti6 s PRO 716 Ca 0.34 2.61 -0.33 0.00 0.02 0.00 0.00 61.00 63.64 1ti6 s PRO 716 Cb -0.14 -3.06 -0.12 0.00 0.02 0.00 0.00 34.50 31.19 1ti6 s PRO 716 CO 0.11 -0.74 1.72 0.00 -0.33 0.00 0.00 177.00 177.76 1ti6 n ALA 717 N 3.72 2.04 0.30 -1.55 0.00 -1.26 -4.86 120.51 118.90 1ti6 n ALA 717 Ca 0.15 0.38 0.14 0.00 0.00 0.00 0.00 53.44 54.11 1ti6 n ALA 717 Cb 0.35 -2.48 0.64 0.00 0.00 0.00 0.00 19.45 17.96 1ti6 n ALA 717 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1ti6 h TRP 718 N 7.15 0.00 -2.53 0.00 5.08 -1.90 -3.21 115.95 120.54 1ti6 h TRP 718 Ca -0.45 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 58.92 1ti6 h TRP 718 Cb 1.23 0.00 -0.41 0.00 -3.00 0.00 0.00 29.16 26.98 1ti6 h TRP 718 CO 0.69 0.00 -0.74 -1.91 -1.28 0.00 0.00 178.44 175.20 1ti6 n GLU 719 N -2.50 1.50 -4.36 0.12 2.13 -1.26 -4.53 120.64 111.75 1ti6 n GLU 719 Ca 0.00 -4.07 -0.18 0.00 0.66 0.00 0.00 57.16 53.57 1ti6 n GLU 719 Cb 0.17 -1.99 -0.10 0.00 0.27 0.00 0.00 31.44 29.79 1ti6 n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1ti6 s SER 720 N -1.37 1.94 0.36 4.31 1.04 -1.22 -4.39 113.70 114.38 1ti6 s SER 720 Ca 0.32 -1.26 0.12 0.00 0.48 0.00 0.00 55.95 55.61 1ti6 s SER 720 Cb 0.06 -0.01 0.67 0.00 0.10 0.00 0.00 66.02 66.85 1ti6 s SER 720 CO -0.13 -0.54 1.80 1.56 0.98 0.00 0.00 173.24 176.92 1ti6 h GLN 721 N 2.38 0.01 -0.08 4.02 4.20 -1.92 -2.90 115.11 120.83 1ti6 h GLN 721 Ca -0.39 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1ti6 h GLN 721 Cb 1.23 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1ti6 h GLN 721 CO 0.65 0.41 0.00 0.36 -0.67 0.00 0.00 178.83 179.58 1ti6 n LYS 722 N -4.07 1.25 0.00 1.46 2.85 -1.26 -4.55 118.16 113.85 1ti6 n LYS 722 Ca -0.02 -1.48 0.00 0.00 -1.05 0.00 0.00 58.31 55.77 1ti6 n LYS 722 Cb 0.43 -1.29 0.00 0.00 -0.65 0.00 0.00 35.03 33.52 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 0.81 0.00 -4.67 5.58 8.25 -1.23 -5.02 115.22 118.94 1ti6 n HIS 723 Ca 0.09 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.22 1ti6 n HIS 723 Cb 0.38 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.29 4.25 0.60 0.41 0.15 -1.09 -4.88 113.70 112.85 1ti6 s SER 724 Ca 0.00 -0.26 0.32 0.00 0.70 0.00 0.00 55.95 56.71 1ti6 s SER 724 Cb 0.00 -1.63 1.88 0.00 -1.71 0.00 0.00 66.02 64.57 1ti6 s SER 724 CO 0.00 0.18 2.24 -0.65 1.20 0.00 0.00 173.24 176.20 1ti6 h PRO 725 N 6.63 0.00 0.00 5.44 0.11 -1.90 -1.02 132.00 141.26 1ti6 h PRO 725 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ti6 h PRO 725 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ti6 h PRO 725 CO 0.57 0.00 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.27 1ti6 h LEU 726 N 0.00 0.00 -2.54 2.35 4.07 -1.94 -2.96 115.31 114.30 1ti6 h LEU 726 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1ti6 h LEU 726 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1ti6 h LEU 726 CO -0.00 0.02 0.00 0.00 -1.08 0.00 0.00 178.44 177.38 1ti6 h ALA 727 N 1.98 1.00 -0.19 1.53 0.00 -1.35 -0.32 119.26 121.91 1ti6 h ALA 727 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ti6 h ALA 727 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ti6 h ALA 727 CO 0.00 0.00 -0.07 0.28 0.00 0.00 0.00 179.25 179.46 1ti6 h VAL 728 N 0.00 1.30 0.14 0.00 2.07 -1.74 -2.74 116.25 115.28 1ti6 h VAL 728 Ca 0.00 -1.09 -0.30 0.00 0.82 0.00 0.00 66.70 66.13 1ti6 h VAL 728 Cb 0.10 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1ti6 h VAL 728 CO 0.00 0.33 -1.46 0.11 0.02 0.00 0.00 177.57 176.56 1ti6 h LYS 729 N 0.08 0.29 -2.96 1.57 1.57 -1.69 -3.40 116.57 112.02 1ti6 h LYS 729 Ca 0.04 -0.49 -0.62 0.00 -1.87 0.00 0.00 60.65 57.72 1ti6 h LYS 729 Cb 0.53 0.18 -0.41 0.00 0.08 0.00 0.00 32.23 32.62 1ti6 h LYS 729 CO 0.02 1.18 -0.65 0.71 -0.57 0.00 0.00 179.45 180.14 1ti6 s TYR 730 N -2.62 3.06 0.06 -1.35 2.02 -0.17 -4.71 117.35 113.64 1ti6 s TYR 730 Ca -0.08 -3.13 0.33 0.00 -0.37 0.00 0.00 57.07 53.82 1ti6 s TYR 730 Cb 0.07 -2.36 1.44 0.00 -0.40 0.00 0.00 41.96 40.71 1ti6 s TYR 730 CO 0.87 -0.61 1.98 -1.00 -1.57 0.00 0.00 175.55 175.22 1ti6 h PRO 731 N 5.51 0.00 -6.01 -1.71 0.13 -1.49 -3.33 132.00 125.11 1ti6 h PRO 731 Ca 0.16 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.72 1ti6 h PRO 731 Cb 0.79 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.86 1ti6 h PRO 731 CO 0.65 0.00 -0.02 -0.51 -0.23 0.00 0.00 178.00 177.89 1ti6 s LEU 732 N -5.79 4.37 -0.24 1.56 1.43 -0.46 -4.93 118.68 114.62 1ti6 s LEU 732 Ca 0.01 1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 54.03 1ti6 s LEU 732 Cb 0.09 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 1ti6 s LEU 732 CO 0.48 0.05 0.48 -0.83 0.23 0.00 0.00 176.35 176.76 1ti6 s GLY 733 N 0.12 1.95 -0.09 -3.19 0.00 -0.30 -0.72 107.32 105.08 1ti6 s GLY 733 Ca 0.31 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1ti6 s GLY 733 CO 0.16 1.10 -0.09 -0.29 0.00 0.00 0.00 173.10 173.98 1ti6 s MET 734 N 1.95 3.00 0.03 2.90 1.75 0.77 -0.18 119.30 129.51 1ti6 s MET 734 Ca 0.21 -0.60 0.09 0.00 -1.25 0.00 0.00 55.69 54.14 1ti6 s MET 734 Cb -0.15 -2.61 -0.03 0.00 2.84 0.00 0.00 34.83 34.87 1ti6 s MET 734 CO 0.09 0.49 -0.26 -0.48 -0.65 0.00 0.00 175.02 174.21 1ti6 s LEU 735 N -0.34 2.17 -0.45 4.11 2.34 -1.03 -2.38 118.68 123.09 1ti6 s LEU 735 Ca 0.04 -0.55 0.06 0.00 0.06 0.00 0.00 54.13 53.74 1ti6 s LEU 735 Cb -0.12 -1.32 0.21 0.00 -0.56 0.00 0.00 46.19 44.40 1ti6 s LEU 735 CO 0.02 0.28 0.46 -1.54 -1.06 0.00 0.00 176.35 174.51 1ti6 n SER 736 N 1.94 0.48 -3.32 1.48 3.41 -1.26 -2.72 113.62 113.63 1ti6 n SER 736 Ca -0.17 -2.67 -0.25 0.00 -0.26 0.00 0.00 58.87 55.52 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 2.05 -3.35 -2.30 4.33 -0.02 -1.26 -3.68 135.00 130.77 1ti6 n PRO 737 Ca 0.26 -1.39 -0.39 0.00 -2.02 0.00 0.00 63.50 59.95 1ti6 n PRO 737 Cb 0.48 -1.45 -0.03 0.00 -0.02 0.00 0.00 33.50 32.48 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 -2.43 3.22 0.21 6.00 3.76 -1.26 -1.13 115.29 123.65 1ti6 s HIS 738 Ca 0.59 1.56 -0.32 0.00 -0.15 0.00 0.00 55.06 56.74 1ti6 s HIS 738 Cb -0.07 -3.43 -0.13 0.00 1.11 0.00 0.00 32.58 30.05 1ti6 s HIS 738 CO 0.46 -1.22 1.60 -0.35 -0.85 0.00 0.00 174.74 174.38 1ti6 n PRO 739 N 0.60 2.43 -0.14 8.40 -0.04 -1.26 -4.83 135.00 140.15 1ti6 n PRO 739 Ca 0.01 0.87 -0.09 0.00 -0.04 0.00 0.00 63.50 64.26 1ti6 n PRO 739 Cb 0.45 -2.65 -0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 5.77 0.64 -0.63 0.54 9.65 -1.93 -3.27 114.38 125.16 1ti6 h ARG 740 Ca -0.45 -0.12 -0.24 0.00 -1.10 0.00 0.00 59.98 58.07 1ti6 h ARG 740 Cb 1.24 -0.10 -0.14 0.00 -1.39 0.00 0.00 29.97 29.58 1ti6 h ARG 740 CO 0.88 0.61 0.23 1.19 2.80 0.00 0.00 179.97 185.67 1ti6 n PHE 741 N -4.61 2.03 -3.60 2.20 3.01 -1.26 -4.88 117.46 110.35 1ti6 n PHE 741 Ca 0.00 -1.38 -0.16 0.00 1.01 0.00 0.00 57.45 56.92 1ti6 n PHE 741 Cb 0.16 -0.64 -0.07 0.00 -0.01 0.00 0.00 39.48 38.92 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 -1.58 -0.54 -1.01 4.37 0.15 -1.23 -4.22 113.70 109.64 1ti6 s SER 742 Ca 0.51 0.64 -0.18 0.00 0.70 0.00 0.00 55.95 57.63 1ti6 s SER 742 Cb 0.43 0.60 0.14 0.00 -1.71 0.00 0.00 66.02 65.47 1ti6 s SER 742 CO 0.09 -0.50 1.22 -0.32 1.20 0.00 0.00 173.24 174.93 1ti6 s MET 743 N -0.98 3.73 6.16 5.44 1.75 -0.94 -4.47 119.30 129.99 1ti6 s MET 743 Ca -0.10 -1.95 0.00 0.00 -1.25 0.00 0.00 55.69 52.39 1ti6 s MET 743 Cb -0.02 -4.98 0.00 0.00 2.84 0.00 0.00 34.83 32.67 1ti6 s MET 743 CO 0.07 -1.79 0.00 0.72 -0.65 0.00 0.00 175.02 173.37 1ti6 n HIS 744 N 6.43 0.00 0.60 4.11 8.25 -1.26 -1.00 115.22 132.35 1ti6 n HIS 744 Ca 0.28 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.86 1ti6 n HIS 744 Cb 0.48 0.00 0.45 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 0.61 -2.72 1.59 -2.24 -1.22 -4.54 114.28 105.75 1ti6 n THR 745 Ca 0.00 -0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.27 1ti6 n THR 745 Cb 0.00 -0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 67.46 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 -3.14 3.77 0.00 -0.78 -1.94 -0.17 -3.52 119.30 113.52 1ti6 s MET 746 Ca 0.09 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.33 1ti6 s MET 746 Cb 0.12 -5.24 0.00 0.00 2.01 0.00 0.00 34.83 31.72 1ti6 s MET 746 CO 0.51 -2.04 0.00 0.41 -0.01 0.00 0.00 175.02 173.90 1ti6 n GLY 747 N 5.72 2.26 3.79 -0.03 0.00 -1.26 -2.21 105.19 113.45 1ti6 n GLY 747 Ca 0.35 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 4.91 0.82 1.61 2.15 -1.23 -4.64 116.67 120.29 1ti6 s ASP 748 Ca 0.00 1.76 0.00 0.00 0.43 0.00 0.00 52.55 54.74 1ti6 s ASP 748 Cb 0.00 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1ti6 s ASP 748 CO 0.00 -1.76 0.00 0.61 -0.17 0.00 0.00 175.17 173.85 1ti6 n GLY 749 N -1.43 1.21 2.60 2.66 0.00 -1.26 -4.74 105.19 104.22 1ti6 n GLY 749 Ca 0.09 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 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 1.71 -1.71 -2.42 1.61 5.02 -1.26 -1.22 118.16 119.89 1ti6 n LYS 750 Ca 0.00 0.71 -0.20 0.00 -2.02 0.00 0.00 58.31 56.80 1ti6 n LYS 750 Cb 0.00 -4.95 -0.01 0.00 -0.02 0.00 0.00 35.03 30.05 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 -0.64 -5.79 -4.82 4.39 5.15 -1.26 -4.40 115.26 107.89 1ti6 n ASN 751 Ca -0.08 -0.01 -0.30 0.00 -0.60 0.00 0.00 54.58 53.59 1ti6 n ASN 751 Cb 0.49 -4.82 0.09 0.00 -0.53 0.00 0.00 39.78 35.01 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 -2.06 4.61 0.47 1.20 1.04 -0.36 -4.94 113.70 113.66 1ti6 s SER 752 Ca 0.01 1.25 0.24 0.00 0.48 0.00 0.00 55.95 57.93 1ti6 s SER 752 Cb -0.00 -1.98 1.16 0.00 0.10 0.00 0.00 66.02 65.29 1ti6 s SER 752 CO 0.01 -1.89 1.94 1.88 0.98 0.00 0.00 173.24 176.16 1ti6 h TYR 753 N -1.03 0.00 -0.04 5.02 0.05 -1.87 -2.84 116.97 116.25 1ti6 h TYR 753 Ca -0.47 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.33 1ti6 h TYR 753 Cb 1.27 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.01 1ti6 h TYR 753 CO 0.46 0.20 0.06 0.52 -1.05 0.00 0.00 178.16 178.34 1ti6 h MET 754 N 0.00 0.00 0.00 4.88 2.86 -1.88 -1.26 114.93 119.53 1ti6 h MET 754 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ti6 h MET 754 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1ti6 h MET 754 CO 0.03 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.09 1ti6 n ASN 755 N -3.75 0.52 -0.43 1.22 3.02 -1.07 -2.02 115.26 112.76 1ti6 n ASN 755 Ca -0.02 0.65 0.13 0.00 -0.03 0.00 0.00 54.58 55.31 1ti6 n ASN 755 Cb 0.15 -0.75 0.35 0.00 -0.61 0.00 0.00 39.78 38.91 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 -2.09 0.00 -2.25 3.10 4.02 -0.47 -4.39 117.16 115.08 1ti6 n TYR 756 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1ti6 n TYR 756 Cb 0.18 -0.05 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 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 -2.28 3.63 0.28 -0.72 1.01 -0.86 -4.92 121.20 117.34 1ti6 s ILE 757 Ca 0.28 1.12 0.02 0.00 0.00 0.00 0.00 60.65 62.08 1ti6 s ILE 757 Cb 0.20 -3.72 0.27 0.00 0.01 0.00 0.00 42.46 39.22 1ti6 s ILE 757 CO 0.44 0.05 1.73 0.11 0.00 0.00 0.00 174.94 177.28 1ti6 h LYS 758 N 7.17 0.51 -0.76 2.79 1.57 -1.90 -1.65 116.57 124.30 1ti6 h LYS 758 Ca -0.40 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.20 1ti6 h LYS 758 Cb 1.20 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.31 1ti6 h LYS 758 CO 0.87 0.34 0.18 -3.47 -0.57 0.00 0.00 179.45 176.79 1ti6 n ASP 759 N -4.94 4.56 -0.01 0.86 2.03 -1.26 -4.38 116.55 113.41 1ti6 n ASP 759 Ca 0.20 -2.97 -0.04 0.00 0.52 0.00 0.00 54.79 52.50 1ti6 n ASP 759 Cb 0.55 -0.70 -0.01 0.00 -0.72 0.00 0.00 41.12 40.24 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 0.07 0.00 -4.03 -0.67 -0.00 -0.63 -4.97 115.22 105.00 1ti6 n HIS 760 Ca 0.32 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.39 1ti6 n HIS 760 Cb 1.19 -0.21 -0.11 0.00 -0.12 0.00 0.00 29.99 30.74 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 -2.34 0.43 -0.19 1.57 0.52 -1.19 -3.97 118.95 113.79 1ti6 s ARG 761 Ca -0.11 -0.67 -0.01 0.00 -0.52 0.00 0.00 55.73 54.42 1ti6 s ARG 761 Cb 0.02 -0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.36 1ti6 s ARG 761 CO 0.17 0.01 -0.14 0.08 0.02 0.00 0.00 175.30 175.44 1ti6 s VAL 762 N -1.34 2.61 -0.09 3.52 1.01 0.07 -4.67 120.40 121.51 1ti6 s VAL 762 Ca -0.12 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1ti6 s VAL 762 Cb -0.10 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1ti6 s VAL 762 CO -0.00 0.49 1.12 -0.70 0.00 0.00 0.00 175.10 176.01 1ti6 s GLU 763 N 1.34 4.37 -0.15 2.72 2.12 -1.26 -0.64 118.70 127.19 1ti6 s GLU 763 Ca 0.05 1.55 -0.02 0.00 0.36 0.00 0.00 54.97 56.90 1ti6 s GLU 763 Cb -0.14 -3.57 0.05 0.00 0.26 0.00 0.00 34.13 30.73 1ti6 s GLU 763 CO -0.08 -0.42 0.03 0.08 -0.54 0.00 0.00 175.26 174.32 1ti6 s VAL 764 N 2.27 0.43 -1.37 3.70 1.01 0.98 -4.83 120.40 122.59 1ti6 s VAL 764 Ca 0.52 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 1ti6 s VAL 764 Cb -0.22 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1ti6 s VAL 764 CO 0.19 -0.05 1.06 0.47 0.00 0.00 0.00 175.10 176.77 1ti6 n ASP 765 N 5.10 -4.71 0.00 3.32 8.00 -1.26 -2.36 116.55 124.63 1ti6 n ASP 765 Ca -0.08 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1ti6 n ASP 765 Cb 0.48 -4.68 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 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 -1.74 1.84 3.38 0.44 0.00 -1.26 -5.03 105.19 102.82 1ti6 n GLY 766 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.91 2.69 -0.52 1.61 5.04 -1.00 -5.08 117.35 117.18 1ti6 s TYR 767 Ca 0.00 -0.49 -0.20 0.00 -2.44 0.00 0.00 57.07 53.94 1ti6 s TYR 767 Cb 0.00 -1.71 0.06 0.00 0.35 0.00 0.00 41.96 40.66 1ti6 s TYR 767 CO 0.00 -0.07 0.70 0.15 -1.34 0.00 0.00 175.55 174.99 1ti6 s LYS 768 N -0.16 3.17 0.24 4.97 1.02 -1.26 -0.02 119.74 127.70 1ti6 s LYS 768 Ca -0.01 -0.76 -0.13 0.00 0.02 0.00 0.00 55.97 55.09 1ti6 s LYS 768 Cb -0.14 -4.09 -0.08 0.00 -0.52 0.00 0.00 37.83 33.00 1ti6 s LYS 768 CO 0.03 -1.29 0.61 0.71 -0.92 0.00 0.00 175.35 174.50 1ti6 s TYR 769 N 2.93 3.46 0.62 3.18 1.51 0.18 -4.75 117.35 124.48 1ti6 s TYR 769 Ca 0.18 1.04 -0.17 0.00 -1.01 0.00 0.00 57.07 57.12 1ti6 s TYR 769 Cb -0.18 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.27 1ti6 s TYR 769 CO 0.13 0.25 1.13 -0.46 -1.11 0.00 0.00 175.55 175.50 1ti6 s TRP 770 N -1.78 2.57 -0.06 2.71 -0.11 -1.26 -0.76 118.94 120.26 1ti6 s TRP 770 Ca 0.47 1.55 -0.07 0.00 1.22 0.00 0.00 56.10 59.27 1ti6 s TRP 770 Cb -0.12 -3.26 -0.04 0.00 -1.50 0.00 0.00 33.47 28.55 1ti6 s TRP 770 CO 0.20 -1.77 0.21 0.42 -4.62 0.00 0.00 176.95 171.39 1ti6 s ILE 771 N -2.06 5.39 -0.07 5.86 1.01 -1.25 -0.73 121.20 129.34 1ti6 s ILE 771 Ca 0.70 0.23 0.02 0.00 0.00 0.00 0.00 60.65 61.60 1ti6 s ILE 771 Cb -0.23 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.75 1ti6 s ILE 771 CO 0.36 0.51 -0.13 -0.32 0.00 0.00 0.00 174.94 175.36 1ti6 s MET 772 N -1.34 1.84 -0.13 2.79 -2.45 -0.63 -4.50 119.30 114.88 1ti6 s MET 772 Ca 0.21 -0.45 -0.15 0.00 -1.25 0.00 0.00 55.69 54.05 1ti6 s MET 772 Cb -0.13 -1.53 -0.05 0.00 1.25 0.00 0.00 34.83 34.38 1ti6 s MET 772 CO 0.10 0.01 0.34 1.03 1.05 0.00 0.00 175.02 177.56 1ti6 s ARG 773 N 0.73 4.19 -0.00 4.11 0.52 0.15 -0.81 118.95 127.84 1ti6 s ARG 773 Ca -0.13 0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.31 1ti6 s ARG 773 Cb -0.16 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 1ti6 s ARG 773 CO 0.03 0.31 -0.09 0.08 0.02 0.00 0.00 175.30 175.64 1ti6 s VAL 774 N 0.22 0.73 0.25 3.52 1.01 -0.31 -1.76 120.40 124.07 1ti6 s VAL 774 Ca 0.19 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1ti6 s VAL 774 Cb -0.14 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.53 1ti6 s VAL 774 CO 0.06 0.18 1.26 0.21 0.00 0.00 0.00 175.10 176.82 1ti6 s ASN 775 N -0.29 6.95 0.40 3.32 3.84 -1.26 -0.45 114.94 127.45 1ti6 s ASN 775 Ca 0.03 2.45 0.22 0.00 0.21 0.00 0.00 52.86 55.77 1ti6 s ASN 775 Cb -0.04 -2.62 1.24 0.00 -0.55 0.00 0.00 41.25 39.28 1ti6 s ASN 775 CO -0.00 -0.44 1.68 0.77 -2.79 0.00 0.00 177.10 176.31 1ti6 h SER 776 N 4.48 0.37 -0.38 -4.21 4.64 -1.79 0.15 113.55 116.81 1ti6 h SER 776 Ca -0.46 0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 1ti6 h SER 776 Cb 1.22 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 1ti6 h SER 776 CO 0.72 -0.10 0.12 0.40 -0.87 0.00 0.00 176.83 177.09 1ti6 h ILE 777 N 0.23 1.21 -0.08 0.95 2.04 -1.90 0.51 117.51 120.48 1ti6 h ILE 777 Ca 0.73 -0.70 -0.16 0.00 1.00 0.00 0.00 64.86 65.73 1ti6 h ILE 777 Cb 2.02 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1ti6 h ILE 777 CO -0.44 0.24 -0.64 0.44 0.00 0.00 0.00 178.15 177.76 1ti6 h ASP 778 N 0.46 0.36 -0.17 1.72 3.32 -1.39 -2.30 116.42 118.43 1ti6 h ASP 778 Ca 0.12 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 1ti6 h ASP 778 Cb 0.26 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1ti6 h ASP 778 CO -0.00 0.91 -0.03 0.00 -1.72 0.00 0.00 179.24 178.39 1ti6 h ALA 779 N 1.09 0.23 -0.77 3.45 0.00 -1.09 -3.00 119.26 119.17 1ti6 h ALA 779 Ca -0.01 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1ti6 h ALA 779 Cb 1.17 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1ti6 h ALA 779 CO 0.10 -0.02 0.47 1.49 0.00 0.00 0.00 179.25 181.29 1ti6 h GLU 780 N 0.03 0.84 0.00 0.00 4.22 -0.85 0.30 114.58 119.13 1ti6 h GLU 780 Ca 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1ti6 h GLU 780 Cb 0.45 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ti6 h GLU 780 CO 0.01 0.56 0.00 0.00 -2.18 0.00 0.00 179.01 177.40 1ti6 h ALA 781 N 1.36 1.00 -0.27 2.92 0.00 -1.32 -2.24 119.26 120.71 1ti6 h ALA 781 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ti6 h ALA 781 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ti6 h ALA 781 CO -0.16 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.63 1ti6 n ARG 782 N -2.81 2.78 -1.73 0.00 1.74 -0.35 -4.97 116.66 111.33 1ti6 n ARG 782 Ca -0.01 -1.90 -0.16 0.00 -0.77 0.00 0.00 57.85 55.01 1ti6 n ARG 782 Cb 0.15 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 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 0.33 1.00 3.75 -0.13 0.00 -0.67 -4.63 105.19 104.84 1ti6 n GLY 783 Ca 0.09 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.65 5.13 0.27 -0.61 1.01 -0.05 -4.99 121.20 119.31 1ti6 s ILE 784 Ca 0.00 0.95 0.11 0.00 0.00 0.00 0.00 60.65 61.71 1ti6 s ILE 784 Cb 0.00 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 1ti6 s ILE 784 CO 0.00 0.39 -0.14 -0.54 0.00 0.00 0.00 174.94 174.65 1ti6 s LYS 785 N 0.21 1.87 0.13 2.79 1.02 -1.26 -4.23 119.74 120.28 1ti6 s LYS 785 Ca 0.26 -1.65 -0.34 0.00 0.02 0.00 0.00 55.97 54.25 1ti6 s LYS 785 Cb -0.16 -1.90 -0.14 0.00 -0.52 0.00 0.00 37.83 35.11 1ti6 s LYS 785 CO 0.11 0.34 1.56 -1.71 -0.92 0.00 0.00 175.35 174.74 1ti6 n ASN 786 N -0.68 2.90 0.00 2.83 2.85 -1.26 -1.35 115.26 120.54 1ti6 n ASN 786 Ca -0.06 1.08 0.00 0.00 -0.11 0.00 0.00 54.58 55.50 1ti6 n ASN 786 Cb 0.60 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 40.23 1ti6 n ASN 786 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ti6 n GLY 787 N 3.34 1.42 3.77 8.20 0.00 0.19 -5.00 105.19 117.11 1ti6 n GLY 787 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.74 5.83 -0.12 1.61 1.01 -0.46 -4.57 116.67 117.23 1ti6 s ASP 788 Ca 0.00 2.23 -0.25 0.00 0.71 0.00 0.00 52.55 55.24 1ti6 s ASP 788 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1ti6 s ASP 788 CO 0.00 -1.14 0.79 -0.76 0.21 0.00 0.00 175.17 174.27 1ti6 s LEU 789 N -3.57 4.23 0.34 1.23 1.43 -1.26 -0.37 118.68 120.72 1ti6 s LEU 789 Ca 0.70 1.20 0.07 0.00 -1.03 0.00 0.00 54.13 55.08 1ti6 s LEU 789 Cb -0.26 -3.20 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 1ti6 s LEU 789 CO 0.30 -0.29 -0.04 0.27 0.23 0.00 0.00 176.35 176.82 1ti6 s ILE 790 N 1.61 1.89 -0.18 -0.59 -4.36 0.19 -1.48 121.20 118.28 1ti6 s ILE 790 Ca 0.39 -2.10 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 1ti6 s ILE 790 Cb -0.17 -2.72 0.02 0.00 1.25 0.00 0.00 42.46 40.84 1ti6 s ILE 790 CO 0.15 -0.14 -0.19 -0.60 0.24 0.00 0.00 174.94 174.40 1ti6 s ARG 791 N -3.70 3.01 -0.18 0.37 3.52 0.71 -0.78 118.95 121.89 1ti6 s ARG 791 Ca 0.33 -0.82 -0.08 0.00 -0.13 0.00 0.00 55.73 55.03 1ti6 s ARG 791 Cb 0.06 -2.60 -0.04 0.00 -1.56 0.00 0.00 34.95 30.80 1ti6 s ARG 791 CO 0.16 -0.21 0.09 0.00 -0.81 0.00 0.00 175.30 174.52 1ti6 s ALA 792 N 1.30 3.52 0.18 6.12 0.00 -0.06 -2.20 121.76 130.61 1ti6 s ALA 792 Ca 0.05 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.14 1ti6 s ALA 792 Cb -0.13 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 21.01 1ti6 s ALA 792 CO -0.12 0.20 0.44 1.52 0.00 0.00 0.00 175.76 177.80 1ti6 s TYR 793 N 0.29 -0.00 0.00 0.00 -0.85 -0.36 -0.91 117.35 115.51 1ti6 s TYR 793 Ca 0.05 -0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 1ti6 s TYR 793 Cb -0.12 0.26 0.00 0.00 0.38 0.00 0.00 41.96 42.48 1ti6 s TYR 793 CO -0.01 -0.83 0.00 0.27 -1.52 0.00 0.00 175.55 173.46 1ti6 n ASN 794 N -0.29 0.00 0.26 -0.18 0.23 -1.04 -1.69 115.26 112.55 1ti6 n ASN 794 Ca -0.10 -0.37 0.18 0.00 -0.53 0.00 0.00 54.58 53.75 1ti6 n ASN 794 Cb 0.63 0.00 0.83 0.00 -2.08 0.00 0.00 39.78 39.16 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 1.26 0.53 3.32 -1.95 -3.13 116.42 116.45 1ti6 h ASP 795 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1ti6 h ASP 795 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1ti6 h ASP 795 CO 0.00 0.00 -0.77 0.03 -1.72 0.00 0.00 179.24 176.78 1ti6 h ARG 796 N 0.00 0.00 0.00 3.56 3.08 -1.90 -3.50 114.38 115.62 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 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ti6 h ARG 796 CO 0.00 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 179.45 1ti6 n GLY 797 N 1.21 -1.30 3.01 0.04 0.00 -1.18 -4.79 105.19 102.19 1ti6 n GLY 797 Ca -0.01 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 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 0.82 -0.03 1.61 0.01 -1.26 -2.50 113.70 108.35 1ti6 s SER 798 Ca 0.00 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 56.98 1ti6 s SER 798 Cb 0.00 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.21 1ti6 s SER 798 CO 0.00 -0.02 -0.02 -0.69 0.41 0.00 0.00 173.24 172.92 1ti6 s VAL 799 N -0.61 0.30 -0.12 3.43 1.01 -0.09 -1.77 120.40 122.55 1ti6 s VAL 799 Ca -0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 1ti6 s VAL 799 Cb -0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1ti6 s VAL 799 CO 0.00 0.16 0.47 -0.63 0.00 0.00 0.00 175.10 175.10 1ti6 s ILE 800 N 0.80 5.19 0.09 2.22 1.09 0.94 -0.88 121.20 130.65 1ti6 s ILE 800 Ca -0.09 0.94 -0.01 0.00 -1.10 0.00 0.00 60.65 60.39 1ti6 s ILE 800 Cb -0.12 -3.81 -0.04 0.00 -1.06 0.00 0.00 42.46 37.43 1ti6 s ILE 800 CO -0.01 0.33 0.02 -0.76 -0.10 0.00 0.00 174.94 174.42 1ti6 s LEU 801 N 0.61 2.13 -0.16 2.97 1.43 0.04 -4.52 118.68 121.17 1ti6 s LEU 801 Ca 0.26 -1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.13 1ti6 s LEU 801 Cb -0.15 0.26 -0.05 0.00 0.03 0.00 0.00 46.19 46.29 1ti6 s LEU 801 CO 0.10 -0.66 0.29 0.00 0.23 0.00 0.00 176.35 176.31 1ti6 s ALA 802 N -3.98 3.59 0.21 4.21 0.00 0.09 0.56 121.76 126.44 1ti6 s ALA 802 Ca 0.15 -0.46 -0.26 0.00 0.00 0.00 0.00 51.96 51.39 1ti6 s ALA 802 Cb 0.08 -2.40 -0.09 0.00 0.00 0.00 0.00 23.12 20.71 1ti6 s ALA 802 CO -0.04 0.08 0.83 0.00 0.00 0.00 0.00 175.76 176.63 1ti6 s ALA 803 N 0.51 3.39 -0.27 0.00 0.00 0.50 -1.60 121.76 124.28 1ti6 s ALA 803 Ca 0.16 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.56 1ti6 s ALA 803 Cb -0.13 -3.04 0.07 0.00 0.00 0.00 0.00 23.12 20.03 1ti6 s ALA 803 CO 0.04 0.26 -0.02 -1.14 0.00 0.00 0.00 175.76 174.90 1ti6 s GLN 804 N -1.37 1.52 0.03 0.00 0.74 0.01 -0.64 119.66 119.94 1ti6 s GLN 804 Ca 0.40 -1.21 -0.30 0.00 0.05 0.00 0.00 55.36 54.29 1ti6 s GLN 804 Cb -0.22 -2.66 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 1ti6 s GLN 804 CO 0.27 -0.72 1.06 0.08 -0.55 0.00 0.00 175.29 175.43 1ti6 s VAL 805 N 1.30 4.54 0.25 1.34 1.01 -1.26 -1.16 120.40 126.42 1ti6 s VAL 805 Ca -0.00 1.84 -0.07 0.00 0.00 0.00 0.00 61.98 63.74 1ti6 s VAL 805 Cb -0.19 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1ti6 s VAL 805 CO -0.09 0.15 0.36 0.28 0.00 0.00 0.00 175.10 175.80 1ti6 s THR 806 N 0.95 0.00 -1.39 3.92 -1.32 0.41 -4.91 115.64 113.30 1ti6 s THR 806 Ca 0.54 -1.64 0.13 0.00 -1.21 0.00 0.00 61.69 59.50 1ti6 s THR 806 Cb -0.24 -2.37 0.06 0.00 -1.51 0.00 0.00 72.50 68.43 1ti6 s THR 806 CO 0.29 0.00 0.82 -0.62 -2.21 0.00 0.00 174.62 172.90 1ti6 n GLU 807 N -0.38 1.30 0.00 7.08 -0.58 -1.26 -2.18 120.64 124.62 1ti6 n GLU 807 Ca 0.00 -1.01 0.00 0.00 -0.42 0.00 0.00 57.16 55.74 1ti6 n GLU 807 Cb 0.63 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 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 0.77 0.34 0.00 1.43 -1.26 -1.50 118.68 118.46 1ti6 s LEU 809 Ca 0.00 0.60 -0.28 0.00 -1.03 0.00 0.00 54.13 53.42 1ti6 s LEU 809 Cb 0.00 1.13 -0.10 0.00 0.03 0.00 0.00 46.19 47.25 1ti6 s LEU 809 CO 0.00 -0.14 1.25 -1.58 0.23 0.00 0.00 176.35 176.11 1ti6 s GLN 810 N 0.03 4.34 0.22 1.70 0.74 -1.26 -4.74 119.66 120.69 1ti6 s GLN 810 Ca -0.01 2.10 -0.31 0.00 0.05 0.00 0.00 55.36 57.18 1ti6 s GLN 810 Cb -0.03 -3.02 -0.14 0.00 1.10 0.00 0.00 33.01 30.92 1ti6 s GLN 810 CO 0.01 -0.16 1.29 -2.30 -0.55 0.00 0.00 175.29 173.58 1ti6 n PRO 811 N 0.72 1.68 0.00 1.67 -0.02 -1.26 -1.60 135.00 136.19 1ti6 n PRO 811 Ca 0.01 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1ti6 n PRO 811 Cb 0.43 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 2.00 0.25 3.46 -1.23 0.00 -1.26 -5.07 105.19 103.34 1ti6 n GLY 812 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 3.23 0.16 2.61 2.01 -0.63 -1.15 115.64 119.88 1ti6 s THR 813 Ca 0.00 -0.63 0.10 0.00 0.31 0.00 0.00 61.69 61.47 1ti6 s THR 813 Cb 0.00 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1ti6 s THR 813 CO 0.00 0.56 -0.22 0.68 -0.69 0.00 0.00 174.62 174.95 1ti6 s VAL 814 N -0.26 2.08 -0.02 3.82 -7.23 0.74 -4.30 120.40 115.24 1ti6 s VAL 814 Ca 0.02 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 1ti6 s VAL 814 Cb -0.13 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 34.88 1ti6 s VAL 814 CO 0.03 -0.14 -0.04 -2.28 -0.31 0.00 0.00 175.10 172.35 1ti6 s HIS 815 N -1.64 0.51 -0.29 2.82 5.04 -0.72 -2.45 115.29 118.55 1ti6 s HIS 815 Ca 0.16 -0.10 -0.09 0.00 -1.54 0.00 0.00 55.06 53.50 1ti6 s HIS 815 Cb -0.08 -0.39 0.13 0.00 0.04 0.00 0.00 32.58 32.28 1ti6 s HIS 815 CO 0.08 -0.06 0.63 0.45 -2.34 0.00 0.00 174.74 173.49 1ti6 s SER 816 N 0.24 -1.10 0.71 9.88 0.15 -1.10 0.32 113.70 122.78 1ti6 s SER 816 Ca -0.02 1.45 -0.16 0.00 0.70 0.00 0.00 55.95 57.91 1ti6 s SER 816 Cb -0.06 2.22 0.00 0.00 -1.71 0.00 0.00 66.02 66.47 1ti6 s SER 816 CO -0.00 -0.23 1.01 -1.22 1.20 0.00 0.00 173.24 174.00 1ti6 n TYR 817 N 5.44 0.83 -2.49 3.44 0.53 -1.26 -4.12 117.16 119.53 1ti6 n TYR 817 Ca -0.10 0.40 0.00 0.00 -1.02 0.00 0.00 57.90 57.18 1ti6 n TYR 817 Cb 0.49 -2.11 0.00 0.00 -1.03 0.00 0.00 39.34 36.70 1ti6 n TYR 817 CO 0.00 0.00 0.00 -0.85 -1.02 0.00 0.00 176.86 174.99 1ti6 n GLU 818 N -1.84 0.75 -1.43 -0.72 -0.00 -0.29 -4.73 120.64 112.39 1ti6 n GLU 818 Ca 0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 57.16 57.21 1ti6 n GLU 818 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.90 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 -3.82 -4.70 -1.84 7.64 -0.75 -4.11 113.62 103.05 1ti6 n SER 819 Ca 0.00 0.17 -0.43 0.00 1.01 0.00 0.00 58.87 59.61 1ti6 n SER 819 Cb 0.00 -2.27 -0.02 0.00 -1.01 0.00 0.00 64.21 60.91 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 2.19 3.47 -2.90 0.00 0.00 -1.26 -4.30 120.51 117.72 1ti6 n ALA 821 Ca 0.11 -0.36 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 1ti6 n ALA 821 Cb 0.34 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.91 4.61 -0.30 0.00 1.01 -1.26 -3.01 120.40 118.54 1ti6 s VAL 822 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1ti6 s VAL 822 Cb 0.18 -3.13 0.04 0.00 0.00 0.00 0.00 36.38 33.48 1ti6 s VAL 822 CO 0.67 0.38 0.00 -0.47 0.00 0.00 0.00 175.10 175.68 1ti6 s TYR 823 N 1.11 3.23 -0.47 5.22 5.04 -1.26 -4.07 117.35 126.14 1ti6 s TYR 823 Ca 0.05 -1.75 0.04 0.00 -2.44 0.00 0.00 57.07 52.97 1ti6 s TYR 823 Cb -0.14 -2.12 0.17 0.00 0.35 0.00 0.00 41.96 40.22 1ti6 s TYR 823 CO 0.03 -0.78 0.37 0.34 -1.34 0.00 0.00 175.55 174.17 1ti6 s ASP 824 N 1.29 2.24 0.39 4.32 2.15 -1.26 -4.79 116.67 121.01 1ti6 s ASP 824 Ca -0.04 -3.19 -0.27 0.00 0.43 0.00 0.00 52.55 49.48 1ti6 s ASP 824 Cb -0.19 -0.70 -0.10 0.00 -0.30 0.00 0.00 42.92 41.63 1ti6 s ASP 824 CO -0.01 -0.16 1.39 -2.84 -0.17 0.00 0.00 175.17 173.38 1ti6 s PRO 825 N -0.22 4.02 0.29 4.34 0.02 -1.26 -1.92 135.00 140.27 1ti6 s PRO 825 Ca 0.30 2.35 0.24 0.00 0.02 0.00 0.00 61.00 63.91 1ti6 s PRO 825 Cb 0.00 -2.86 0.42 0.00 0.02 0.00 0.00 34.50 32.09 1ti6 s PRO 825 CO -0.18 -0.52 1.52 -0.07 -0.33 0.00 0.00 177.00 177.42 1ti6 h LEU 826 N 2.83 0.00 0.00 -5.54 3.38 -1.03 -3.43 115.31 111.51 1ti6 h LEU 826 Ca -0.50 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1ti6 h LEU 826 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1ti6 h LEU 826 CO 0.63 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.79 1ti6 n GLY 827 N 1.21 5.60 3.75 0.83 0.00 -1.26 -4.93 105.19 110.39 1ti6 n GLY 827 Ca 0.04 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 2.36 2.53 0.23 2.61 2.01 -1.26 -4.35 115.64 119.77 1ti6 s THR 828 Ca 0.00 0.46 -0.32 0.00 0.31 0.00 0.00 61.69 62.14 1ti6 s THR 828 Cb 0.00 -3.29 -0.13 0.00 0.01 0.00 0.00 72.50 69.09 1ti6 s THR 828 CO 0.00 0.08 1.56 0.00 -0.69 0.00 0.00 174.62 175.57 1ti6 n ALA 829 N 2.07 1.91 -0.60 7.40 0.00 -1.26 -1.54 120.51 128.48 1ti6 n ALA 829 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1ti6 n ALA 829 Cb 0.40 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 2.82 1.33 0.00 0.00 0.00 -1.26 -4.77 105.19 103.31 1ti6 n GLY 830 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.19 -4.31 1.61 5.02 -0.59 -4.83 118.16 113.26 1ti6 n LYS 831 Ca 0.00 -0.59 -0.17 0.00 -2.02 0.00 0.00 58.31 55.53 1ti6 n LYS 831 Cb 0.00 -0.82 -0.09 0.00 -0.02 0.00 0.00 35.03 34.10 1ti6 n LYS 831 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ti6 s SER 832 N -0.21 1.29 0.42 4.39 1.04 -1.01 -2.14 113.70 117.48 1ti6 s SER 832 Ca 0.00 -1.53 -0.25 0.00 0.48 0.00 0.00 55.95 54.64 1ti6 s SER 832 Cb 0.00 0.38 -0.08 0.00 0.10 0.00 0.00 66.02 66.42 1ti6 s SER 832 CO 0.00 -0.88 1.31 0.00 0.98 0.00 0.00 173.24 174.65 1ti6 s ALA 833 N -3.70 3.21 -0.08 5.32 0.00 0.05 -4.69 121.76 121.87 1ti6 s ALA 833 Ca 0.37 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.55 1ti6 s ALA 833 Cb 0.05 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1ti6 s ALA 833 CO 0.17 -0.88 -0.01 0.34 0.00 0.00 0.00 175.76 175.38 1ti6 s ASP 834 N -0.78 5.13 0.00 0.00 2.15 -0.73 -0.42 116.67 122.02 1ti6 s ASP 834 Ca 0.59 0.11 0.08 0.00 0.43 0.00 0.00 52.55 53.76 1ti6 s ASP 834 Cb -0.38 -1.41 0.11 0.00 -0.30 0.00 0.00 42.92 40.93 1ti6 s ASP 834 CO 0.48 0.37 0.87 -2.11 -0.17 0.00 0.00 175.17 174.62 1ti6 n ARG 835 N 2.12 0.86 -0.09 4.34 1.85 -0.81 -0.04 116.66 124.90 1ti6 n ARG 835 Ca -0.18 -1.23 -0.09 0.00 -1.00 0.00 0.00 57.85 55.35 1ti6 n ARG 835 Cb 0.53 -1.17 0.07 0.00 -1.05 0.00 0.00 32.46 30.85 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 1.58 0.86 0.00 2.89 0.00 -1.76 -3.42 103.07 103.21 1ti6 h GLY 836 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1ti6 h GLY 836 CO 0.00 0.70 0.00 0.61 0.00 0.00 0.00 176.54 177.85 1ti6 n GLY 837 N -0.15 1.87 3.51 4.60 0.00 -1.26 -4.38 105.19 109.39 1ti6 n GLY 837 Ca -0.00 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 5.65 0.59 0.00 0.00 1.08 -1.88 -1.23 117.51 121.73 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 0.87 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1ti6 h ILE 839 CO 1.42 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 179.47 1ti6 n ASN 840 N -4.08 0.00 0.17 1.72 3.02 -1.26 -0.87 115.26 113.95 1ti6 n ASN 840 Ca 0.07 -0.44 0.03 0.00 -0.03 0.00 0.00 54.58 54.21 1ti6 n ASN 840 Cb 0.52 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.95 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 1.09 -0.00 2.41 2.04 -1.45 -1.09 117.51 120.50 1ti6 h ILE 841 Ca 0.00 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1ti6 h ILE 841 Cb 0.00 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1ti6 h ILE 841 CO 0.00 0.46 -0.64 0.18 0.00 0.00 0.00 178.15 178.15 1ti6 n LEU 842 N -3.62 1.03 -4.83 1.44 4.77 -0.05 -4.19 117.00 111.55 1ti6 n LEU 842 Ca -0.00 -0.35 -0.33 0.00 -0.03 0.00 0.00 56.01 55.29 1ti6 n LEU 842 Cb 0.56 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1ti6 n LEU 842 CO 0.39 0.22 0.56 0.42 -1.33 0.00 0.00 177.39 177.66 1ti6 s THR 843 N -2.83 4.48 0.20 -5.08 -4.23 -1.21 -4.80 115.64 102.16 1ti6 s THR 843 Ca 0.13 1.33 -0.30 0.00 -1.18 0.00 0.00 61.69 61.67 1ti6 s THR 843 Cb 0.17 -3.65 -0.09 0.00 1.34 0.00 0.00 72.50 70.27 1ti6 s THR 843 CO 0.71 -0.21 1.41 -2.16 -0.54 0.00 0.00 174.62 173.83 1ti6 s PRO 844 N -2.96 4.30 0.00 3.99 0.04 -1.26 -0.57 135.00 138.54 1ti6 s PRO 844 Ca 0.58 2.20 0.25 0.00 0.04 0.00 0.00 61.00 64.07 1ti6 s PRO 844 Cb -0.11 -3.17 0.56 0.00 0.04 0.00 0.00 34.50 31.83 1ti6 s PRO 844 CO 0.16 -0.40 1.45 -0.40 0.04 0.00 0.00 177.00 177.84 1ti6 n ASP 845 N 2.97 1.18 -4.77 6.66 3.85 -1.26 -4.51 116.55 120.67 1ti6 n ASP 845 Ca 0.09 -0.97 -0.41 0.00 -0.71 0.00 0.00 54.79 52.79 1ti6 n ASP 845 Cb 0.41 0.23 -0.01 0.00 -1.35 0.00 0.00 41.12 40.40 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 -2.55 4.17 0.65 0.11 3.52 -1.26 -4.96 118.95 118.64 1ti6 s ARG 846 Ca 0.22 2.48 -0.17 0.00 -0.13 0.00 0.00 55.73 58.13 1ti6 s ARG 846 Cb 0.19 -3.01 -0.00 0.00 -1.56 0.00 0.00 34.95 30.56 1ti6 s ARG 846 CO 0.55 -0.48 1.19 0.71 -0.81 0.00 0.00 175.30 176.46 1ti6 s TYR 847 N -0.81 2.33 0.24 5.12 4.12 -1.26 -4.42 117.35 122.67 1ti6 s TYR 847 Ca 0.55 1.55 -0.05 0.00 0.02 0.00 0.00 57.07 59.13 1ti6 s TYR 847 Cb -0.45 -3.42 0.45 0.00 -1.52 0.00 0.00 41.96 37.03 1ti6 s TYR 847 CO 0.57 -2.23 1.68 0.82 0.02 0.00 0.00 175.55 176.40 1ti6 h ILE 848 N 0.34 0.50 -4.59 2.71 2.04 -1.33 -3.43 117.51 113.75 1ti6 h ILE 848 Ca -0.49 -0.09 -0.36 0.00 1.00 0.00 0.00 64.86 64.92 1ti6 h ILE 848 Cb 1.29 0.23 -0.12 0.00 -0.74 0.00 0.00 36.82 37.48 1ti6 h ILE 848 CO 0.53 0.05 -0.41 -0.94 0.00 0.00 0.00 178.15 177.37 1ti6 s SER 849 N -5.23 1.16 0.25 1.72 1.04 -1.05 -4.97 113.70 106.61 1ti6 s SER 849 Ca -0.13 -1.60 -0.04 0.00 0.48 0.00 0.00 55.95 54.66 1ti6 s SER 849 Cb 0.21 0.56 0.37 0.00 0.10 0.00 0.00 66.02 67.26 1ti6 s SER 849 CO 0.75 -1.10 1.85 0.50 0.98 0.00 0.00 173.24 176.23 1ti6 h LYS 850 N 2.21 0.94 0.00 4.02 3.64 -1.92 -3.18 116.57 122.28 1ti6 h LYS 850 Ca -0.28 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1ti6 h LYS 850 Cb 1.24 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1ti6 h LYS 850 CO 0.40 0.62 -0.54 0.66 -2.27 0.00 0.00 179.45 178.32 1ti6 n TYR 851 N -4.62 0.00 -2.87 1.91 4.01 -1.26 -4.77 117.16 109.55 1ti6 n TYR 851 Ca 0.13 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.44 1ti6 n TYR 851 Cb 0.21 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.99 3.27 -1.19 -0.72 0.00 -1.20 -4.63 121.76 115.29 1ti6 s ALA 852 Ca 0.03 -2.67 -0.08 0.00 0.00 0.00 0.00 51.96 49.24 1ti6 s ALA 852 Cb 0.07 -4.11 -0.08 0.00 0.00 0.00 0.00 23.12 19.00 1ti6 s ALA 852 CO 0.40 -3.07 2.98 0.00 0.00 0.00 0.00 175.76 176.08 1ti6 s GLY 854 N 1.71 2.47 0.22 0.00 0.00 -1.26 -4.92 107.32 105.55 1ti6 s GLY 854 Ca 0.66 -2.21 -0.26 0.00 0.00 0.00 0.00 44.72 42.91 1ti6 s GLY 854 CO -0.06 -2.05 0.84 -3.16 0.00 0.00 0.00 173.10 168.67 1ti6 s MET 855 N -3.77 4.60 -0.29 2.90 0.23 -1.26 -2.10 119.30 119.61 1ti6 s MET 855 Ca 0.36 1.23 0.08 0.00 -1.03 0.00 0.00 55.69 56.34 1ti6 s MET 855 Cb 0.08 -3.12 0.46 0.00 -1.53 0.00 0.00 34.83 30.72 1ti6 s MET 855 CO 0.19 0.47 1.33 0.00 -2.03 0.00 0.00 175.02 174.98 1ti6 n ALA 856 N 1.23 4.46 -0.23 3.16 0.00 -1.26 -3.90 120.51 123.97 1ti6 n ALA 856 Ca -0.03 -3.44 0.02 0.00 0.00 0.00 0.00 53.44 49.99 1ti6 n ALA 856 Cb 0.49 -0.53 0.11 0.00 0.00 0.00 0.00 19.45 19.52 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 1.45 -0.44 0.00 0.00 4.21 -1.76 -3.15 115.58 115.88 1ti6 h ASN 857 Ca 0.22 0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.92 1ti6 h ASN 857 Cb 1.34 0.35 0.00 0.00 -1.12 0.00 0.00 38.32 38.90 1ti6 h ASN 857 CO 0.45 -0.18 0.00 0.59 -1.29 0.00 0.00 177.43 177.00 1ti6 n ASN 858 N -5.37 0.02 -3.72 5.81 3.02 -0.48 -3.99 115.26 110.54 1ti6 n ASN 858 Ca 0.10 -0.62 -0.30 0.00 -0.03 0.00 0.00 54.58 53.74 1ti6 n ASN 858 Cb 0.39 -0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.40 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 -1.92 0.81 -0.01 3.41 -4.23 -1.19 -4.37 115.64 108.14 1ti6 s THR 859 Ca 0.00 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1ti6 s THR 859 Cb 0.00 -1.60 0.02 0.00 1.34 0.00 0.00 72.50 72.26 1ti6 s THR 859 CO 0.00 -0.66 0.01 0.00 -0.54 0.00 0.00 174.62 173.43 1ti6 s ALA 860 N 1.66 0.13 -0.12 3.99 0.00 -1.00 -4.62 121.76 121.78 1ti6 s ALA 860 Ca 0.09 0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 1ti6 s ALA 860 Cb -0.17 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 1ti6 s ALA 860 CO -0.25 -0.05 0.28 -0.51 0.00 0.00 0.00 175.76 175.23 1ti6 s LEU 861 N 0.63 4.31 0.25 0.00 1.43 -1.26 -0.16 118.68 123.88 1ti6 s LEU 861 Ca -0.06 0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 1ti6 s LEU 861 Cb -0.08 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 1ti6 s LEU 861 CO -0.02 0.20 0.27 0.68 0.23 0.00 0.00 176.35 177.71 1ti6 s VAL 862 N -0.09 0.00 0.06 -1.59 -7.23 0.10 -4.78 120.40 106.87 1ti6 s VAL 862 Ca 0.17 -1.84 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 1ti6 s VAL 862 Cb -0.13 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1ti6 s VAL 862 CO 0.05 0.00 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.03 1ti6 s GLU 863 N -3.84 0.69 0.10 4.82 2.56 -0.68 -1.35 118.70 121.00 1ti6 s GLU 863 Ca 0.35 -0.87 0.03 0.00 0.00 0.00 0.00 54.97 54.48 1ti6 s GLU 863 Cb 0.04 -0.58 -0.04 0.00 2.00 0.00 0.00 34.13 35.55 1ti6 s GLU 863 CO 0.16 0.12 -0.09 0.96 -0.56 0.00 0.00 175.26 175.85 1ti6 s ILE 864 N -1.34 0.86 0.18 -3.70 -4.36 -1.26 -1.23 121.20 110.35 1ti6 s ILE 864 Ca -0.05 -1.81 -0.23 0.00 -0.26 0.00 0.00 60.65 58.29 1ti6 s ILE 864 Cb -0.10 -1.54 0.06 0.00 1.25 0.00 0.00 42.46 42.13 1ti6 s ILE 864 CO 0.01 -0.71 0.73 -1.83 0.24 0.00 0.00 174.94 173.38 1ti6 s GLU 865 N -3.33 1.37 0.25 0.37 -1.05 -0.94 -4.97 118.70 110.40 1ti6 s GLU 865 Ca 0.09 -0.64 -0.30 0.00 -0.15 0.00 0.00 54.97 53.97 1ti6 s GLU 865 Cb 0.01 0.54 -0.10 0.00 -0.44 0.00 0.00 34.13 34.15 1ti6 s GLU 865 CO -0.02 -0.62 1.38 0.15 0.95 0.00 0.00 175.26 177.11 1ti6 s LYS 866 N -3.66 4.31 0.04 -4.83 1.02 -1.26 -0.21 119.74 115.16 1ti6 s LYS 866 Ca 0.06 2.23 -0.31 0.00 0.02 0.00 0.00 55.97 57.98 1ti6 s LYS 866 Cb -0.03 -3.12 -0.06 0.00 -0.52 0.00 0.00 37.83 34.10 1ti6 s LYS 866 CO -0.04 -0.34 1.29 -0.46 -0.92 0.00 0.00 175.35 174.88 1ti6 s TRP 867 N -0.19 3.22 -2.36 3.18 -0.00 -0.55 -4.69 118.94 117.56 1ti6 s TRP 867 Ca 0.57 1.09 0.26 0.00 -0.00 0.00 0.00 56.10 58.02 1ti6 s TRP 867 Cb -0.40 -3.54 1.07 0.00 -0.00 0.00 0.00 33.47 30.60 1ti6 s TRP 867 CO 0.44 -1.82 1.75 -0.40 -0.00 0.00 0.00 176.95 176.92 1ti6 n ASP 868 N 4.44 1.29 0.00 5.86 5.68 -1.26 -4.93 116.55 127.63 1ti6 n ASP 868 Ca 0.11 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 1ti6 n ASP 868 Cb 0.45 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 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 1.12 0.72 3.77 6.12 0.00 -1.26 -5.06 105.19 110.60 1ti6 n GLY 869 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.51 4.71 0.01 1.61 3.68 -1.26 -4.96 116.67 117.94 1ti6 s ASP 870 Ca 0.00 1.90 0.24 0.00 2.13 0.00 0.00 52.55 56.82 1ti6 s ASP 870 Cb 0.00 -2.53 0.26 0.00 -1.45 0.00 0.00 42.92 39.20 1ti6 s ASP 870 CO 0.00 -1.90 1.24 2.29 0.13 0.00 0.00 175.17 176.93 1ti6 n LYS 871 N -3.11 0.05 -3.69 4.34 2.85 -1.26 -4.96 118.16 112.38 1ti6 n LYS 871 Ca 0.10 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.09 1ti6 n LYS 871 Cb 0.53 -1.52 0.02 0.00 -0.65 0.00 0.00 35.03 33.40 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 -1.59 -2.03 -2.87 5.58 4.02 -1.26 -0.77 117.16 118.25 1ti6 n TYR 872 Ca 0.05 0.61 -0.44 0.00 -0.01 0.00 0.00 57.90 58.11 1ti6 n TYR 872 Cb 0.35 -3.20 0.00 0.00 -0.02 0.00 0.00 39.34 36.47 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 -3.46 3.36 0.00 -0.72 2.13 -1.26 -3.34 120.64 117.35 1ti6 n GLU 873 Ca -0.16 -3.76 0.00 0.00 0.66 0.00 0.00 57.16 53.90 1ti6 n GLU 873 Cb 0.61 -3.09 0.00 0.00 0.27 0.00 0.00 31.44 29.23 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 4.76 0.12 0.72 6.31 -5.35 -0.95 -4.97 119.36 119.99 1ti6 n ILE 874 Ca 0.39 -0.17 0.09 0.00 -0.27 0.00 0.00 62.75 62.78 1ti6 n ILE 874 Cb 0.43 1.28 0.07 0.00 -1.74 0.00 0.00 39.64 39.68 1ti6 n ILE 874 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57