#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tk0 s ILE 2 N 0.00 1.51 -0.12 1.12 -4.36 0.03 -1.72 121.20 117.67 1tk0 s ILE 2 Ca 0.00 -1.94 0.03 0.00 -0.26 0.00 0.00 60.65 58.48 1tk0 s ILE 2 Cb 0.00 -1.78 0.01 0.00 1.25 0.00 0.00 42.46 41.94 1tk0 s ILE 2 CO 0.00 -0.49 -0.22 -0.69 0.24 0.00 0.00 174.94 173.77 1tk0 s VAL 3 N -2.52 1.99 0.22 8.37 1.01 0.46 -0.51 120.40 129.42 1tk0 s VAL 3 Ca 0.15 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1tk0 s VAL 3 Cb -0.03 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1tk0 s VAL 3 CO 0.04 0.54 0.15 -0.55 0.00 0.00 0.00 175.10 175.28 1tk0 s SER 4 N 0.61 0.42 -0.22 3.32 0.15 0.77 -0.52 113.70 118.24 1tk0 s SER 4 Ca -0.12 -1.44 -0.28 0.00 0.70 0.00 0.00 55.95 54.81 1tk0 s SER 4 Cb -0.17 0.40 0.12 0.00 -1.71 0.00 0.00 66.02 64.66 1tk0 s SER 4 CO 0.03 -0.87 1.01 -0.62 1.20 0.00 0.00 173.24 173.99 1tk0 s ASP 5 N -3.20 -0.41 0.26 5.45 2.15 -1.11 -4.31 116.67 115.48 1tk0 s ASP 5 Ca 0.39 0.64 0.08 0.00 0.43 0.00 0.00 52.55 54.09 1tk0 s ASP 5 Cb 0.06 0.59 -0.05 0.00 -0.30 0.00 0.00 42.92 43.22 1tk0 s ASP 5 CO 0.14 -0.25 -0.12 0.27 -0.17 0.00 0.00 175.17 175.03 1tk0 s ILE 6 N -0.45 1.90 -0.11 4.11 -4.36 -1.26 -1.90 121.20 119.12 1tk0 s ILE 6 Ca 0.00 -2.22 0.02 0.00 -0.26 0.00 0.00 60.65 58.19 1tk0 s ILE 6 Cb -0.03 -2.28 0.01 0.00 1.25 0.00 0.00 42.46 41.42 1tk0 s ILE 6 CO -0.02 -0.43 -0.16 -1.61 0.24 0.00 0.00 174.94 172.96 1tk0 s GLU 7 N -3.64 2.30 0.40 0.37 0.41 0.45 -4.98 118.70 114.02 1tk0 s GLU 7 Ca 0.27 -0.60 0.03 0.00 -0.41 0.00 0.00 54.97 54.27 1tk0 s GLU 7 Cb 0.00 -1.92 -0.03 0.00 -1.78 0.00 0.00 34.13 30.39 1tk0 s GLU 7 CO 0.11 -0.03 0.10 0.00 -0.49 0.00 0.00 175.26 174.94 1tk0 s ALA 8 N 0.90 2.90 -2.18 5.21 0.00 -1.26 -0.10 121.76 127.23 1tk0 s ALA 8 Ca -0.08 -1.36 0.26 0.00 0.00 0.00 0.00 51.96 50.79 1tk0 s ALA 8 Cb -0.15 0.66 1.31 0.00 0.00 0.00 0.00 23.12 24.94 1tk0 s ALA 8 CO -0.00 -0.30 1.87 0.27 0.00 0.00 0.00 175.76 177.60 1tk0 n ASN 9 N -1.15 0.68 -3.70 0.00 6.94 -0.34 -4.83 115.26 112.87 1tk0 n ASN 9 Ca -0.06 -1.34 0.02 0.00 -0.02 0.00 0.00 54.58 53.17 1tk0 n ASN 9 Cb 0.66 -0.02 0.01 0.00 -2.36 0.00 0.00 39.78 38.06 1tk0 n ASN 9 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tk0 s ALA 10 N -1.96 -2.29 0.95 -2.53 0.00 -1.26 -4.69 121.76 109.97 1tk0 s ALA 10 Ca 0.38 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.51 1tk0 s ALA 10 Cb 0.19 0.65 0.16 0.00 0.00 0.00 0.00 23.12 24.12 1tk0 s ALA 10 CO 0.31 -1.10 1.09 -0.51 0.00 0.00 0.00 175.76 175.55 1tk0 s LEU 11 N -3.42 2.12 0.25 0.00 1.43 -1.26 -4.46 118.68 113.35 1tk0 s LEU 11 Ca 0.22 1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 54.92 1tk0 s LEU 11 Cb 0.02 -3.96 0.51 0.00 0.03 0.00 0.00 46.19 42.78 1tk0 s LEU 11 CO -0.02 -3.02 1.67 0.25 0.23 0.00 0.00 176.35 175.47 1tk0 h LEU 12 N -1.81 -0.04 -1.56 1.79 5.85 -1.94 -0.59 115.31 117.02 1tk0 h LEU 12 Ca -0.50 0.16 0.24 0.00 0.84 0.00 0.00 57.88 58.62 1tk0 h LEU 12 Cb 1.29 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 42.48 1tk0 h LEU 12 CO 0.51 -0.08 0.64 -0.33 -0.34 0.00 0.00 178.44 178.85 1tk0 h GLU 13 N 0.24 0.32 0.00 1.25 3.07 -2.00 -3.14 114.58 114.31 1tk0 h GLU 13 Ca 0.44 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1tk0 h GLU 13 Cb 0.79 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1tk0 h GLU 13 CO -0.56 0.21 -0.37 -1.13 -1.40 0.00 0.00 179.01 175.76 1tk0 n SER 14 N -4.49 0.59 -4.75 1.42 3.41 -0.85 -5.08 113.62 103.86 1tk0 n SER 14 Ca 0.21 -2.25 -0.41 0.00 -0.26 0.00 0.00 58.87 56.17 1tk0 n SER 14 Cb 0.82 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1tk0 n SER 14 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1tk0 s VAL 15 N -0.71 2.60 0.00 -3.33 0.11 -0.28 -4.82 120.40 113.96 1tk0 s VAL 15 Ca 0.08 0.53 0.00 0.00 -2.93 0.00 0.00 61.98 59.66 1tk0 s VAL 15 Cb 0.07 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 1tk0 s VAL 15 CO 0.01 0.10 0.00 0.35 -3.33 0.00 0.00 175.10 172.22 1tk0 n THR 16 N 1.85 0.00 -4.24 5.04 -2.24 -1.26 -4.88 114.28 108.55 1tk0 n THR 16 Ca 0.05 -0.12 -0.20 0.00 -2.27 0.00 0.00 64.05 61.51 1tk0 n THR 16 Cb 0.40 0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 69.28 1tk0 n THR 16 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tk0 s LYS 17 N -0.38 0.83 -0.19 -0.78 1.02 -1.26 -4.80 119.74 114.19 1tk0 s LYS 17 Ca 0.00 -0.18 -0.21 0.00 0.02 0.00 0.00 55.97 55.60 1tk0 s LYS 17 Cb 0.00 -0.81 -0.03 0.00 -0.52 0.00 0.00 37.83 36.48 1tk0 s LYS 17 CO 0.00 0.00 0.63 0.12 -0.92 0.00 0.00 175.35 175.18 1tk0 s PHE 18 N 0.57 3.39 -0.23 3.18 5.36 -1.26 -1.20 117.98 127.79 1tk0 s PHE 18 Ca -0.08 0.95 -0.19 0.00 -0.96 0.00 0.00 56.93 56.65 1tk0 s PHE 18 Cb -0.11 -2.79 -0.16 0.00 -0.34 0.00 0.00 43.02 39.61 1tk0 s PHE 18 CO 0.00 -0.14 0.04 0.72 -1.46 0.00 0.00 175.22 174.38 1tk0 n HIS 19 N 4.91 0.73 -3.79 10.12 8.25 0.86 -4.65 115.22 131.64 1tk0 n HIS 19 Ca -0.02 0.32 -0.04 0.00 -0.26 0.00 0.00 57.72 57.72 1tk0 n HIS 19 Cb 0.50 -1.05 -0.00 0.00 1.12 0.00 0.00 29.99 30.55 1tk0 n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tk0 s GLY 21 N -3.07 -0.34 -0.00 0.00 0.00 -0.27 -0.41 107.32 103.23 1tk0 s GLY 21 Ca 0.15 0.06 0.01 0.00 0.00 0.00 0.00 44.72 44.94 1tk0 s GLY 21 CO 0.04 -0.21 -0.04 0.14 0.00 0.00 0.00 173.10 173.03 1tk0 s VAL 22 N -3.79 0.32 -0.08 1.40 1.01 -0.80 -0.71 120.40 117.76 1tk0 s VAL 22 Ca 0.03 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1tk0 s VAL 22 Cb 0.01 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.13 1tk0 s VAL 22 CO -0.12 0.07 -0.11 -0.63 0.00 0.00 0.00 175.10 174.31 1tk0 s ILE 23 N -0.14 1.07 -0.22 2.22 1.01 -0.46 -2.77 121.20 121.91 1tk0 s ILE 23 Ca 0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 1tk0 s ILE 23 Cb -0.02 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 1tk0 s ILE 23 CO -0.00 0.35 -0.02 -0.47 0.00 0.00 0.00 174.94 174.80 1tk0 s TYR 24 N 0.92 2.99 -0.22 3.97 5.04 0.32 -1.09 117.35 129.28 1tk0 s TYR 24 Ca -0.10 -0.75 -0.07 0.00 -2.44 0.00 0.00 57.07 53.72 1tk0 s TYR 24 Cb -0.15 -2.11 -0.03 0.00 0.35 0.00 0.00 41.96 40.02 1tk0 s TYR 24 CO 0.01 -0.44 0.05 0.34 -1.34 0.00 0.00 175.55 174.16 1tk0 s ASP 25 N 1.35 5.15 0.44 4.32 -1.08 -0.98 -0.40 116.67 125.47 1tk0 s ASP 25 Ca 0.04 -0.14 0.14 0.00 -0.52 0.00 0.00 52.55 52.07 1tk0 s ASP 25 Cb -0.14 -1.90 0.96 0.00 -1.46 0.00 0.00 42.92 40.38 1tk0 s ASP 25 CO -0.01 0.05 1.97 1.88 0.52 0.00 0.00 175.17 179.58 1tk0 h TYR 26 N 7.64 0.02 0.00 -5.34 0.05 -1.68 0.43 116.97 118.09 1tk0 h TYR 26 Ca -0.37 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.37 1tk0 h TYR 26 Cb 1.18 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 1tk0 h TYR 26 CO 0.62 0.21 -0.20 0.66 -1.05 0.00 0.00 178.16 178.40 1tk0 h SER 27 N 0.02 0.00 0.00 3.88 4.64 -1.92 -3.24 113.55 116.92 1tk0 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tk0 h SER 27 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1tk0 h SER 27 CO 0.03 0.20 -1.47 0.35 -0.87 0.00 0.00 176.83 175.06 1tk0 n THR 28 N -3.23 0.00 -2.50 2.95 -2.24 -1.10 -5.00 114.28 103.15 1tk0 n THR 28 Ca 0.02 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.35 1tk0 n THR 28 Cb 0.51 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1tk0 n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tk0 n ALA 29 N -1.87 -0.60 -2.50 6.98 0.00 0.15 -5.00 120.51 117.67 1tk0 n ALA 29 Ca -0.02 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.43 1tk0 n ALA 29 Cb 0.30 -2.36 -0.11 0.00 0.00 0.00 0.00 19.45 17.29 1tk0 n ALA 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1tk0 s GLU 30 N -5.06 0.94 -0.10 0.00 2.02 -1.20 -4.96 118.70 110.34 1tk0 s GLU 30 Ca 0.08 -1.19 -0.09 0.00 0.02 0.00 0.00 54.97 53.78 1tk0 s GLU 30 Cb -0.03 -0.75 -0.04 0.00 0.10 0.00 0.00 34.13 33.40 1tk0 s GLU 30 CO 0.10 0.14 0.20 0.71 0.02 0.00 0.00 175.26 176.42 1tk0 s TYR 31 N -2.22 3.62 -0.06 1.61 1.51 -1.26 -2.31 117.35 118.23 1tk0 s TYR 31 Ca 0.07 0.62 0.02 0.00 -1.01 0.00 0.00 57.07 56.77 1tk0 s TYR 31 Cb -0.04 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.79 1tk0 s TYR 31 CO 0.02 0.69 -0.09 0.08 -1.11 0.00 0.00 175.55 175.13 1tk0 s VAL 32 N -0.95 0.93 -0.08 0.71 1.01 -0.25 -4.99 120.40 116.79 1tk0 s VAL 32 Ca 0.17 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1tk0 s VAL 32 Cb -0.13 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1tk0 s VAL 32 CO 0.06 0.31 0.13 -0.44 0.00 0.00 0.00 175.10 175.16 1tk0 s SER 33 N 0.83 6.17 -0.12 3.32 0.01 -1.26 -1.36 113.70 121.29 1tk0 s SER 33 Ca -0.12 0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.53 1tk0 s SER 33 Cb -0.15 -1.94 0.02 0.00 0.21 0.00 0.00 66.02 64.16 1tk0 s SER 33 CO 0.02 0.36 -0.16 -0.31 0.41 0.00 0.00 173.24 173.55 1tk0 s TYR 34 N -1.10 2.14 0.60 2.43 1.51 0.12 -5.00 117.35 118.05 1tk0 s TYR 34 Ca 0.18 -1.06 0.03 0.00 -1.01 0.00 0.00 57.07 55.21 1tk0 s TYR 34 Cb -0.12 -1.53 0.11 0.00 -0.11 0.00 0.00 41.96 40.31 1tk0 s TYR 34 CO 0.08 -0.54 0.82 0.54 -1.11 0.00 0.00 175.55 175.35 1tk0 n ARG 35 N 4.27 0.19 -0.34 -0.62 1.74 -1.26 -1.11 116.66 119.53 1tk0 n ARG 35 Ca -0.19 -2.50 0.17 0.00 -0.77 0.00 0.00 57.85 54.56 1tk0 n ARG 35 Cb 0.51 -0.47 0.37 0.00 -1.02 0.00 0.00 32.46 31.85 1tk0 n ARG 35 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1tk0 h PRO 36 N 0.00 0.51 0.00 5.56 0.13 -1.46 0.19 132.00 136.93 1tk0 h PRO 36 Ca -0.27 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1tk0 h PRO 36 Cb 1.08 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1tk0 h PRO 36 CO 0.32 0.34 0.00 -1.13 -0.23 0.00 0.00 178.00 177.30 1tk0 n SER 37 N -4.93 0.00 -1.11 1.44 3.41 -1.26 -3.14 113.62 108.04 1tk0 n SER 37 Ca 0.26 -0.91 0.11 0.00 -0.26 0.00 0.00 58.87 58.07 1tk0 n SER 37 Cb 0.73 -0.03 0.20 0.00 -0.26 0.00 0.00 64.21 64.85 1tk0 n SER 37 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tk0 n ASP 38 N -1.03 3.38 -0.24 4.04 8.00 0.66 -4.64 116.55 126.72 1tk0 n ASP 38 Ca 0.23 -1.98 -0.02 0.00 0.71 0.00 0.00 54.79 53.73 1tk0 n ASP 38 Cb 0.12 -0.22 0.04 0.00 -0.02 0.00 0.00 41.12 41.04 1tk0 n ASP 38 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1tk0 h PHE 39 N 4.35 -0.68 -0.88 1.24 3.57 -1.56 0.27 116.94 123.25 1tk0 h PHE 39 Ca 0.00 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1tk0 h PHE 39 Cb 0.97 0.40 -0.06 0.00 2.79 0.00 0.00 35.95 40.05 1tk0 h PHE 39 CO 0.22 -0.35 0.56 0.78 -2.23 0.00 0.00 178.31 177.29 1tk0 h GLY 40 N -0.08 1.31 1.22 2.40 0.00 -1.89 -1.43 103.07 104.61 1tk0 h GLY 40 Ca 0.29 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 1tk0 h GLY 40 CO -0.73 0.31 0.05 0.00 0.00 0.00 0.00 176.54 176.17 1tk0 h ALA 41 N 1.39 1.01 -0.03 3.60 0.00 -1.36 -0.92 119.26 122.95 1tk0 h ALA 41 Ca 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1tk0 h ALA 41 Cb 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1tk0 h ALA 41 CO -0.15 0.62 0.02 -0.92 0.00 0.00 0.00 179.25 178.82 1tk0 h TYR 42 N 0.89 0.04 -0.76 0.00 3.20 -0.12 -1.06 116.97 119.16 1tk0 h TYR 42 Ca 0.17 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1tk0 h TYR 42 Cb 0.45 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 1tk0 h TYR 42 CO 0.03 0.04 0.41 -0.07 -1.64 0.00 0.00 178.16 176.92 1tk0 h LEU 43 N 0.04 0.94 -0.50 2.82 3.38 -1.08 -2.06 115.31 118.84 1tk0 h LEU 43 Ca 0.01 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1tk0 h LEU 43 Cb 0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1tk0 h LEU 43 CO -0.00 0.76 0.31 0.44 0.09 0.00 0.00 178.44 180.04 1tk0 h ASP 44 N 1.06 0.53 -0.66 -0.43 3.32 -0.63 -1.09 116.42 118.50 1tk0 h ASP 44 Ca 0.27 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1tk0 h ASP 44 Cb 0.04 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1tk0 h ASP 44 CO -0.04 0.38 0.37 0.00 -1.72 0.00 0.00 179.24 178.22 1tk0 h ALA 45 N 1.21 1.37 -0.06 3.45 0.00 -0.55 -0.33 119.26 124.34 1tk0 h ALA 45 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1tk0 h ALA 45 Cb -0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1tk0 h ALA 45 CO -0.07 0.52 -0.03 -0.07 0.00 0.00 0.00 179.25 179.60 1tk0 h LEU 46 N 0.95 0.13 -1.63 0.00 3.38 -0.86 -2.88 115.31 114.40 1tk0 h LEU 46 Ca 0.24 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1tk0 h LEU 46 Cb 0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1tk0 h LEU 46 CO -0.04 0.51 0.02 -0.33 0.09 0.00 0.00 178.44 178.69 1tk0 h GLU 47 N -0.24 0.25 -0.76 1.13 5.08 -0.94 -2.32 114.58 116.78 1tk0 h GLU 47 Ca 0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1tk0 h GLU 47 Cb 0.45 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1tk0 h GLU 47 CO 0.01 0.26 0.37 0.00 -1.00 0.00 0.00 179.01 178.65 1tk0 h ALA 48 N 1.78 0.98 -0.29 3.43 0.00 -0.95 -0.13 119.26 124.07 1tk0 h ALA 48 Ca 0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1tk0 h ALA 48 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1tk0 h ALA 48 CO 0.00 0.54 -0.08 1.49 0.00 0.00 0.00 179.25 181.19 1tk0 h GLU 49 N 1.07 0.47 -0.35 0.00 4.57 -1.21 -2.08 114.58 117.05 1tk0 h GLU 49 Ca 0.26 -0.12 -0.13 0.00 -1.18 0.00 0.00 59.36 58.19 1tk0 h GLU 49 Cb 0.11 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1tk0 h GLU 49 CO -0.03 0.56 -0.32 0.28 -1.18 0.00 0.00 179.01 178.31 1tk0 h VAL 50 N 0.44 1.28 0.00 0.32 2.07 -0.95 0.94 116.25 120.35 1tk0 h VAL 50 Ca 0.09 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.07 1tk0 h VAL 50 Cb 0.42 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1tk0 h VAL 50 CO 0.02 0.48 -0.31 0.00 0.02 0.00 0.00 177.57 177.78 1tk0 h ALA 51 N 0.99 1.31 -0.01 1.67 0.00 -0.46 -1.92 119.26 120.84 1tk0 h ALA 51 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1tk0 h ALA 51 Cb 0.86 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1tk0 h ALA 51 CO 0.07 0.39 0.00 0.54 0.00 0.00 0.00 179.25 180.26 1tk0 n ARG 52 N -3.92 1.16 -1.95 0.00 1.74 -0.84 -4.86 116.66 107.98 1tk0 n ARG 52 Ca -0.02 -0.23 -0.10 0.00 -0.77 0.00 0.00 57.85 56.74 1tk0 n ARG 52 Cb 0.38 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.34 1tk0 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tk0 n GLY 53 N 1.01 0.26 0.00 -0.13 0.00 -0.72 -4.99 105.19 100.63 1tk0 n GLY 53 Ca 0.21 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1tk0 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tk0 n GLY 54 N -1.21 0.30 3.04 -0.02 0.00 0.31 -1.71 105.19 105.90 1tk0 n GLY 54 Ca -0.11 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 43.95 1tk0 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tk0 s LEU 55 N 0.00 2.14 -0.17 0.99 1.43 -1.26 -4.23 118.68 117.58 1tk0 s LEU 55 Ca 0.00 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1tk0 s LEU 55 Cb 0.00 -0.32 0.02 0.00 0.03 0.00 0.00 46.19 45.92 1tk0 s LEU 55 CO 0.00 -0.04 -0.20 -0.63 0.23 0.00 0.00 176.35 175.71 1tk0 s ILE 56 N -0.76 2.03 -0.21 -0.59 1.01 0.03 -0.79 121.20 121.93 1tk0 s ILE 56 Ca -0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 1tk0 s ILE 56 Cb -0.06 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1tk0 s ILE 56 CO 0.00 0.54 0.04 -0.69 0.00 0.00 0.00 174.94 174.83 1tk0 s VAL 57 N 1.17 4.34 0.27 2.92 1.01 0.33 -1.06 120.40 129.40 1tk0 s VAL 57 Ca 0.02 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.89 1tk0 s VAL 57 Cb -0.14 -2.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 1tk0 s VAL 57 CO -0.10 0.41 -0.08 -0.36 0.00 0.00 0.00 175.10 174.97 1tk0 s PHE 58 N 0.98 1.94 -0.33 5.22 0.08 -0.65 -0.16 117.98 125.06 1tk0 s PHE 58 Ca 0.03 -0.66 -0.05 0.00 0.12 0.00 0.00 56.93 56.37 1tk0 s PHE 58 Cb -0.14 -1.07 0.05 0.00 -0.57 0.00 0.00 43.02 41.29 1tk0 s PHE 58 CO 0.02 0.32 0.07 -1.58 -0.10 0.00 0.00 175.22 173.95 1tk0 s HIS 59 N -2.97 3.27 -0.66 0.36 5.65 -1.26 -1.68 115.29 117.99 1tk0 s HIS 59 Ca 0.29 -1.61 0.00 0.00 0.25 0.00 0.00 55.06 53.98 1tk0 s HIS 59 Cb 0.03 -2.25 0.00 0.00 -1.18 0.00 0.00 32.58 29.17 1tk0 s HIS 59 CO 0.11 -0.76 0.00 -1.71 -0.65 0.00 0.00 174.74 171.73 1tk0 n ASN 60 N 4.74 -3.12 0.12 9.88 5.15 -1.26 -4.91 115.26 125.86 1tk0 n ASN 60 Ca -0.12 0.06 -0.02 0.00 -0.60 0.00 0.00 54.58 53.90 1tk0 n ASN 60 Cb 0.44 -2.00 0.19 0.00 -0.53 0.00 0.00 39.78 37.88 1tk0 n ASN 60 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1tk0 h GLY 61 N 0.00 0.11 0.87 8.20 0.00 -1.88 -1.94 103.07 108.43 1tk0 h GLY 61 Ca -0.16 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.08 1tk0 h GLY 61 CO 0.20 0.11 0.56 0.45 0.00 0.00 0.00 176.54 177.86 1tk0 h HIS 62 N 0.08 1.04 0.00 5.60 3.86 -1.92 -1.20 115.15 122.61 1tk0 h HIS 62 Ca -0.00 0.03 -0.26 0.00 -1.16 0.00 0.00 60.37 58.98 1tk0 h HIS 62 Cb 1.00 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 29.08 1tk0 h HIS 62 CO 0.01 0.60 -1.60 0.87 0.86 0.00 0.00 177.93 178.66 1tk0 h LYS 63 N 1.08 0.00 0.00 2.45 1.57 -1.88 -3.42 116.57 116.37 1tk0 h LYS 63 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1tk0 h LYS 63 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1tk0 h LYS 63 CO -0.12 0.45 0.00 0.98 -0.57 0.00 0.00 179.45 180.19 1tk0 n TYR 64 N -3.01 0.00 -0.23 -1.35 9.36 -0.73 -4.72 117.16 116.46 1tk0 n TYR 64 Ca -0.14 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.06 1tk0 n TYR 64 Cb 0.99 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.75 1tk0 n TYR 64 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1tk0 h ASP 65 N 0.00 -0.92 0.28 2.98 5.19 -1.67 0.11 116.42 122.40 1tk0 h ASP 65 Ca 0.00 0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1tk0 h ASP 65 Cb 0.00 0.52 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1tk0 h ASP 65 CO 0.00 -0.27 -0.14 0.58 -3.12 0.00 0.00 179.24 176.29 1tk0 h VAL 66 N -0.07 0.75 -0.46 -1.35 2.07 -1.51 -0.56 116.25 115.11 1tk0 h VAL 66 Ca 0.30 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.54 1tk0 h VAL 66 Cb 0.54 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1tk0 h VAL 66 CO -0.73 0.04 -0.01 -0.65 0.02 0.00 0.00 177.57 176.24 1tk0 h PRO 67 N -0.48 0.77 -0.89 1.57 0.11 -1.71 -2.55 132.00 128.80 1tk0 h PRO 67 Ca -0.04 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1tk0 h PRO 67 Cb 0.36 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 1tk0 h PRO 67 CO 0.06 0.79 0.56 0.00 -0.21 0.00 0.00 178.00 179.21 1tk0 h ALA 68 N 1.26 1.14 -0.54 -0.75 0.00 -0.62 -1.41 119.26 118.34 1tk0 h ALA 68 Ca 0.14 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1tk0 h ALA 68 Cb 0.46 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1tk0 h ALA 68 CO 0.02 0.57 -0.08 -0.07 0.00 0.00 0.00 179.25 179.69 1tk0 h LEU 69 N 1.22 0.97 -0.32 0.00 3.38 -0.86 0.21 115.31 119.91 1tk0 h LEU 69 Ca 0.32 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1tk0 h LEU 69 Cb -0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 1tk0 h LEU 69 CO -0.06 1.07 0.18 0.74 0.09 0.00 0.00 178.44 180.45 1tk0 h THR 70 N 0.88 1.13 -0.09 0.22 2.02 -1.05 0.14 112.91 116.16 1tk0 h THR 70 Ca 0.15 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1tk0 h THR 70 Cb 0.62 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1tk0 h THR 70 CO 0.04 0.13 0.03 0.50 0.37 0.00 0.00 175.52 176.59 1tk0 h LYS 71 N 0.40 0.14 -0.46 6.66 3.64 -0.98 -2.74 116.57 123.23 1tk0 h LYS 71 Ca 0.11 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1tk0 h LYS 71 Cb 0.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1tk0 h LYS 71 CO -0.02 0.28 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.33 1tk0 h LEU 72 N -0.04 0.76 -0.97 5.20 3.38 -0.48 -1.85 115.31 121.31 1tk0 h LEU 72 Ca 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1tk0 h LEU 72 Cb 0.20 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1tk0 h LEU 72 CO -0.00 0.86 0.44 0.00 0.09 0.00 0.00 178.44 179.83 1tk0 h ALA 73 N 1.22 1.20 -0.01 1.53 0.00 -0.68 0.61 119.26 123.13 1tk0 h ALA 73 Ca 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tk0 h ALA 73 Cb 0.51 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1tk0 h ALA 73 CO 0.03 0.63 -0.01 -0.22 0.00 0.00 0.00 179.25 179.68 1tk0 h LYS 74 N 1.17 0.02 0.33 0.00 1.63 -1.23 0.61 116.57 119.11 1tk0 h LYS 74 Ca 0.29 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1tk0 h LYS 74 Cb 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1tk0 h LYS 74 CO -0.04 0.50 -0.16 -0.07 -3.45 0.00 0.00 179.45 176.23 1tk0 h LEU 75 N -0.46 -0.38 0.15 5.20 3.38 -1.13 -1.39 115.31 120.69 1tk0 h LEU 75 Ca 0.00 -0.08 -0.31 0.00 0.09 0.00 0.00 57.88 57.59 1tk0 h LEU 75 Cb 0.50 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1tk0 h LEU 75 CO 0.00 -0.15 -1.47 1.56 0.09 0.00 0.00 178.44 178.48 1tk0 h GLN 76 N -0.59 0.31 -0.01 1.13 4.20 -1.01 -3.38 115.11 115.76 1tk0 h GLN 76 Ca -0.05 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.13 1tk0 h GLN 76 Cb 0.43 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1tk0 h GLN 76 CO 0.07 1.21 -0.06 1.28 -0.67 0.00 0.00 178.83 180.67 1tk0 n LEU 77 N -3.53 1.35 -3.90 1.46 4.77 -0.82 -4.98 117.00 111.35 1tk0 n LEU 77 Ca -0.15 -0.91 -0.29 0.00 -0.03 0.00 0.00 56.01 54.63 1tk0 n LEU 77 Cb 1.05 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.16 1tk0 n LEU 77 CO 0.53 0.28 0.06 -3.20 -1.33 0.00 0.00 177.39 173.73 1tk0 n ASN 78 N 0.11 -3.93 -4.47 -1.43 5.15 -0.17 -4.95 115.26 105.57 1tk0 n ASN 78 Ca 0.04 -0.81 -0.30 0.00 -0.60 0.00 0.00 54.58 52.90 1tk0 n ASN 78 Cb 0.16 -3.81 -0.12 0.00 -0.53 0.00 0.00 39.78 35.48 1tk0 n ASN 78 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1tk0 s ARG 79 N -6.53 1.98 -0.22 1.20 3.52 0.03 -4.92 118.95 114.00 1tk0 s ARG 79 Ca 0.53 -1.05 -0.21 0.00 -0.13 0.00 0.00 55.73 54.87 1tk0 s ARG 79 Cb -0.27 -2.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.94 1tk0 s ARG 79 CO 0.84 0.52 0.66 -1.21 -0.81 0.00 0.00 175.30 175.30 1tk0 s GLU 80 N -1.67 4.18 -0.06 5.12 0.41 -1.26 -2.64 118.70 122.78 1tk0 s GLU 80 Ca 0.16 0.65 -0.01 0.00 -0.41 0.00 0.00 54.97 55.35 1tk0 s GLU 80 Cb -0.11 -3.61 0.03 0.00 -1.78 0.00 0.00 34.13 28.67 1tk0 s GLU 80 CO 0.07 -0.32 0.01 0.12 -0.49 0.00 0.00 175.26 174.64 1tk0 s PHE 81 N 2.20 0.56 -0.39 1.61 5.36 -1.26 -5.06 117.98 121.00 1tk0 s PHE 81 Ca 0.29 -0.09 0.03 0.00 -0.96 0.00 0.00 56.93 56.20 1tk0 s PHE 81 Cb -0.16 -0.73 0.16 0.00 -0.34 0.00 0.00 43.02 41.95 1tk0 s PHE 81 CO 0.10 -0.30 0.36 -1.01 -1.46 0.00 0.00 175.22 172.92 1tk0 s HIS 82 N 1.94 0.07 0.27 10.12 3.76 -1.26 -4.26 115.29 125.93 1tk0 s HIS 82 Ca 0.04 -1.27 -0.31 0.00 -0.15 0.00 0.00 55.06 53.38 1tk0 s HIS 82 Cb -0.12 -0.55 -0.12 0.00 1.11 0.00 0.00 32.58 32.90 1tk0 s HIS 82 CO -0.05 -0.94 1.65 -0.51 -0.85 0.00 0.00 174.74 174.04 1tk0 s LEU 83 N 1.03 4.35 0.41 0.89 1.43 -1.26 -4.93 118.68 120.59 1tk0 s LEU 83 Ca 0.21 2.94 -0.25 0.00 -1.03 0.00 0.00 54.13 56.01 1tk0 s LEU 83 Cb -0.12 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 1tk0 s LEU 83 CO -0.05 -0.95 1.14 -2.84 0.23 0.00 0.00 176.35 173.88 1tk0 s PRO 84 N 0.05 4.05 0.19 1.29 0.02 -1.26 -4.95 135.00 134.38 1tk0 s PRO 84 Ca 0.67 1.74 -0.13 0.00 0.02 0.00 0.00 61.00 63.31 1tk0 s PRO 84 Cb -0.49 -2.61 0.20 0.00 0.02 0.00 0.00 34.50 31.62 1tk0 s PRO 84 CO 0.43 -0.30 1.69 -0.09 -0.33 0.00 0.00 177.00 178.40 1tk0 h ARG 85 N 2.54 0.14 0.00 5.54 2.43 -1.96 -1.71 114.38 121.36 1tk0 h ARG 85 Ca -0.49 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1tk0 h ARG 85 Cb 1.23 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1tk0 h ARG 85 CO 0.62 0.09 0.00 -0.85 -1.51 0.00 0.00 179.97 178.33 1tk0 n GLU 86 N -5.20 0.09 0.00 0.20 0.00 -1.26 -1.59 120.64 112.88 1tk0 n GLU 86 Ca 0.06 0.55 0.12 0.00 0.00 0.00 0.00 57.16 57.89 1tk0 n GLU 86 Cb 0.27 -1.77 0.13 0.00 0.00 0.00 0.00 31.44 30.08 1tk0 n GLU 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1tk0 n ASN 87 N -1.96 2.26 -4.61 -1.84 4.13 -0.64 -4.86 115.26 107.75 1tk0 n ASN 87 Ca -0.00 -1.65 -0.33 0.00 1.68 0.00 0.00 54.58 54.28 1tk0 n ASN 87 Cb 0.05 0.20 -0.10 0.00 -1.54 0.00 0.00 39.78 38.39 1tk0 n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1tk0 s ILE 89 N -0.97 1.42 -0.20 0.00 1.01 -0.22 -4.94 121.20 117.29 1tk0 s ILE 89 Ca 0.16 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1tk0 s ILE 89 Cb -0.11 -1.20 0.05 0.00 0.01 0.00 0.00 42.46 41.21 1tk0 s ILE 89 CO 0.07 0.32 -0.09 -0.62 0.00 0.00 0.00 174.94 174.62 1tk0 s ASP 90 N -0.62 3.40 0.60 3.58 -1.08 -1.26 -1.64 116.67 119.65 1tk0 s ASP 90 Ca 0.06 -0.91 0.37 0.00 -0.52 0.00 0.00 52.55 51.56 1tk0 s ASP 90 Cb -0.07 -1.18 1.82 0.00 -1.46 0.00 0.00 42.92 42.03 1tk0 s ASP 90 CO -0.00 -0.17 2.16 0.71 0.52 0.00 0.00 175.17 178.39 1tk0 h THR 91 N 6.44 0.08 -0.06 1.71 1.35 -1.69 -0.53 112.91 120.21 1tk0 h THR 91 Ca -0.26 -0.31 -0.16 0.00 -0.55 0.00 0.00 66.41 65.14 1tk0 h THR 91 Cb 1.09 1.28 0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1tk0 h THR 91 CO 0.45 0.02 -0.59 0.25 -0.25 0.00 0.00 175.52 175.41 1tk0 h LEU 92 N 0.00 0.61 -0.56 3.87 5.85 -1.91 0.70 115.31 123.87 1tk0 h LEU 92 Ca -0.00 -0.70 -0.02 0.00 0.84 0.00 0.00 57.88 58.00 1tk0 h LEU 92 Cb 0.28 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1tk0 h LEU 92 CO 0.00 1.22 0.27 0.58 -0.34 0.00 0.00 178.44 180.17 1tk0 h VAL 93 N 0.06 1.20 -0.48 1.05 2.07 -1.78 -0.63 116.25 117.75 1tk0 h VAL 93 Ca -0.06 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1tk0 h VAL 93 Cb 1.26 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1tk0 h VAL 93 CO 0.12 0.23 0.19 -0.07 0.02 0.00 0.00 177.57 178.06 1tk0 h LEU 94 N 0.76 0.66 -0.64 2.57 3.38 -1.10 -2.13 115.31 118.80 1tk0 h LEU 94 Ca 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1tk0 h LEU 94 Cb 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1tk0 h LEU 94 CO -0.02 0.64 0.38 0.28 0.09 0.00 0.00 178.44 179.81 1tk0 h SER 95 N 0.63 0.78 0.73 -0.43 0.02 -0.57 -0.27 113.55 114.44 1tk0 h SER 95 Ca 0.16 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1tk0 h SER 95 Cb 0.19 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 1tk0 h SER 95 CO -0.01 0.62 -0.05 0.03 -1.14 0.00 0.00 176.83 176.28 1tk0 h ARG 96 N 0.88 0.00 0.00 3.45 3.08 -0.96 0.37 114.38 121.20 1tk0 h ARG 96 Ca 0.23 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 1tk0 h ARG 96 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1tk0 h ARG 96 CO -0.04 0.05 -0.36 1.25 -1.07 0.00 0.00 179.97 179.80 1tk0 h LEU 97 N 0.00 0.00 -0.45 3.04 5.85 -0.67 -3.24 115.31 119.84 1tk0 h LEU 97 Ca -0.00 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 1tk0 h LEU 97 Cb 0.42 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1tk0 h LEU 97 CO 0.01 0.86 -0.05 0.40 -0.34 0.00 0.00 178.44 179.32 1tk0 h ILE 98 N -1.00 1.27 -1.97 4.05 2.04 -1.04 -3.17 117.51 117.69 1tk0 h ILE 98 Ca -0.06 -1.14 -0.72 0.00 1.00 0.00 0.00 64.86 63.94 1tk0 h ILE 98 Cb 0.60 1.09 -0.32 0.00 -0.74 0.00 0.00 36.82 37.46 1tk0 h ILE 98 CO -0.04 0.39 0.51 1.41 0.00 0.00 0.00 178.15 180.42 1tk0 n HIS 99 N -4.32 3.14 0.33 1.37 8.25 0.13 -4.77 115.22 119.35 1tk0 n HIS 99 Ca -0.00 -2.70 0.12 0.00 -0.26 0.00 0.00 57.72 54.87 1tk0 n HIS 99 Cb 0.34 -0.88 0.51 0.00 1.12 0.00 0.00 29.99 31.08 1tk0 n HIS 99 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1tk0 n SER 100 N -0.40 0.64 0.00 0.41 3.41 -1.20 -2.06 113.62 114.42 1tk0 n SER 100 Ca 0.47 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.90 1tk0 n SER 100 Cb 0.35 -0.81 0.36 0.00 -0.26 0.00 0.00 64.21 63.84 1tk0 n SER 100 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1tk0 n ASN 101 N -2.24 0.36 -4.88 4.04 6.94 -1.26 -4.20 115.26 114.02 1tk0 n ASN 101 Ca 0.01 -0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.32 1tk0 n ASN 101 Cb 0.18 0.01 -0.04 0.00 -2.36 0.00 0.00 39.78 37.57 1tk0 n ASN 101 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1tk0 s LEU 102 N -3.06 4.06 0.66 -4.53 1.43 -0.87 -5.02 118.68 111.33 1tk0 s LEU 102 Ca 0.12 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1tk0 s LEU 102 Cb 0.18 -2.63 0.10 0.00 0.03 0.00 0.00 46.19 43.86 1tk0 s LEU 102 CO 0.65 0.03 0.91 -0.54 0.23 0.00 0.00 176.35 177.62 1tk0 s LYS 103 N -3.39 1.99 0.19 1.70 -0.14 -1.26 -5.04 119.74 113.79 1tk0 s LYS 103 Ca 0.33 -1.10 -0.15 0.00 -1.36 0.00 0.00 55.97 53.68 1tk0 s LYS 103 Cb -0.10 -2.42 0.02 0.00 -1.68 0.00 0.00 37.83 33.65 1tk0 s LYS 103 CO 0.26 -1.17 0.47 0.16 -0.76 0.00 0.00 175.35 174.30 1tk0 s ASP 104 N -4.65 -0.19 0.00 2.83 1.47 -1.26 -4.68 116.67 110.20 1tk0 s ASP 104 Ca 0.63 -0.58 0.11 0.00 1.18 0.00 0.00 52.55 53.90 1tk0 s ASP 104 Cb -0.07 0.54 0.48 0.00 -0.34 0.00 0.00 42.92 43.54 1tk0 s ASP 104 CO 0.42 -1.02 1.34 0.35 0.68 0.00 0.00 175.17 176.94 1tk0 n THR 105 N -0.31 0.17 -3.72 2.11 -2.24 -1.26 -4.89 114.28 104.14 1tk0 n THR 105 Ca -0.09 -0.20 -0.23 0.00 -2.27 0.00 0.00 64.05 61.26 1tk0 n THR 105 Cb 0.63 0.07 0.04 0.00 -2.10 0.00 0.00 70.33 68.97 1tk0 n THR 105 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1tk0 n ASP 106 N -0.12 -2.63 -2.93 3.42 2.03 -1.26 -1.53 116.55 113.53 1tk0 n ASP 106 Ca 0.10 -0.76 -0.20 0.00 0.52 0.00 0.00 54.79 54.45 1tk0 n ASP 106 Cb 0.16 -4.22 0.06 0.00 -0.72 0.00 0.00 41.12 36.39 1tk0 n ASP 106 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1tk0 n MET 107 N -4.43 -5.89 -0.53 -0.67 2.81 -1.26 -3.16 117.12 104.00 1tk0 n MET 107 Ca -0.19 0.72 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 1tk0 n MET 107 Cb 0.63 -5.34 0.00 0.00 -0.71 0.00 0.00 33.22 27.80 1tk0 n MET 107 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tk0 n GLY 108 N -1.66 0.75 0.19 3.03 0.00 -0.91 -4.89 105.19 101.71 1tk0 n GLY 108 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1tk0 n GLY 108 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tk0 h LEU 109 N 0.00 0.00 -8.60 0.99 3.38 -1.23 -3.44 115.31 106.41 1tk0 h LEU 109 Ca 0.00 -0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 1tk0 h LEU 109 Cb 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.45 1tk0 h LEU 109 CO 0.00 0.00 -0.88 -0.76 0.09 0.00 0.00 178.44 176.89 1tk0 s LEU 110 N -5.91 2.10 0.12 1.67 1.43 -0.59 -5.05 118.68 112.46 1tk0 s LEU 110 Ca 0.06 -0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 52.38 1tk0 s LEU 110 Cb 0.06 -1.36 -0.08 0.00 0.03 0.00 0.00 46.19 44.84 1tk0 s LEU 110 CO 0.69 0.30 1.46 -0.13 0.23 0.00 0.00 176.35 178.90 1tk0 s ARG 111 N -0.49 4.28 0.41 1.70 0.52 -1.26 -4.71 118.95 119.40 1tk0 s ARG 111 Ca 0.06 2.17 0.09 0.00 -0.52 0.00 0.00 55.73 57.53 1tk0 s ARG 111 Cb -0.11 -3.25 0.89 0.00 0.52 0.00 0.00 34.95 33.01 1tk0 s ARG 111 CO 0.00 -0.51 2.03 0.66 0.02 0.00 0.00 175.30 177.51 1tk0 h SER 112 N 6.90 0.46 0.84 0.23 4.64 -1.97 -2.58 113.55 122.08 1tk0 h SER 112 Ca -0.42 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1tk0 h SER 112 Cb 1.21 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1tk0 h SER 112 CO 0.88 0.32 0.00 1.23 -0.87 0.00 0.00 176.83 178.39 1tk0 h GLY 113 N 0.54 0.00 1.25 -0.77 0.00 -2.02 -3.00 103.07 99.07 1tk0 h GLY 113 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1tk0 h GLY 113 CO -0.05 0.00 -0.56 1.70 0.00 0.00 0.00 176.54 177.63 1tk0 h LYS 114 N 0.00 0.00 -6.47 4.80 3.64 -1.85 -3.46 116.57 113.22 1tk0 h LYS 114 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 1tk0 h LYS 114 Cb 0.42 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1tk0 h LYS 114 CO 0.00 0.00 0.16 -0.51 -2.27 0.00 0.00 179.45 176.83 1tk0 s LEU 115 N -4.29 4.57 0.52 5.20 1.43 -1.14 -5.06 118.68 119.90 1tk0 s LEU 115 Ca 0.07 1.59 -0.16 0.00 -1.03 0.00 0.00 54.13 54.59 1tk0 s LEU 115 Cb 0.13 -3.25 -0.08 0.00 0.03 0.00 0.00 46.19 43.02 1tk0 s LEU 115 CO 0.71 0.19 0.98 -2.16 0.23 0.00 0.00 176.35 176.30 1tk0 s PRO 116 N -0.98 3.92 1.79 1.29 0.04 -1.26 -4.93 135.00 134.87 1tk0 s PRO 116 Ca 0.36 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1tk0 s PRO 116 Cb -0.22 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1tk0 s PRO 116 CO 0.25 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.42 1tk0 n GLY 117 N -1.65 -1.30 3.98 0.56 0.00 -1.26 -4.64 105.19 100.88 1tk0 n GLY 117 Ca 0.06 -1.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 1tk0 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk0 s ALA 124 N -1.26 4.10 -0.01 4.61 0.00 -1.26 -5.03 121.76 122.91 1tk0 s ALA 124 Ca 0.00 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 50.63 1tk0 s ALA 124 Cb 0.00 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 1tk0 s ALA 124 CO 0.00 -0.34 -0.14 -0.51 0.00 0.00 0.00 175.76 174.77 1tk0 s LEU 125 N -4.44 2.02 0.17 0.00 1.43 -1.26 -4.19 118.68 112.40 1tk0 s LEU 125 Ca 0.51 -0.26 -0.32 0.00 -1.03 0.00 0.00 54.13 53.03 1tk0 s LEU 125 Cb -0.10 -0.73 -0.10 0.00 0.03 0.00 0.00 46.19 45.28 1tk0 s LEU 125 CO 0.35 0.17 1.58 -0.70 0.23 0.00 0.00 176.35 177.98 1tk0 s GLU 126 N -0.31 4.21 0.11 1.70 -6.30 -1.26 -4.90 118.70 111.96 1tk0 s GLU 126 Ca 0.05 2.37 -0.25 0.00 -2.50 0.00 0.00 54.97 54.64 1tk0 s GLU 126 Cb -0.06 -3.16 -0.08 0.00 0.00 0.00 0.00 34.13 30.84 1tk0 s GLU 126 CO -0.00 -0.62 1.66 0.00 0.02 0.00 0.00 175.26 176.32 1tk0 h ALA 127 N 6.83 -0.27 -0.73 6.30 0.00 -1.99 -0.30 119.26 129.10 1tk0 h ALA 127 Ca -0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1tk0 h ALA 127 Cb 1.20 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1tk0 h ALA 127 CO 0.92 -0.69 0.37 -1.49 0.00 0.00 0.00 179.25 178.36 1tk0 h TRP 128 N -0.33 1.03 -0.32 0.00 -0.00 -1.95 -0.91 115.95 113.48 1tk0 h TRP 128 Ca 0.04 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.89 58.80 1tk0 h TRP 128 Cb 0.37 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 29.20 1tk0 h TRP 128 CO -0.21 0.74 -0.20 0.78 -0.00 0.00 0.00 178.44 179.56 1tk0 h GLY 129 N 1.01 0.64 0.90 1.49 0.00 -1.92 -1.20 103.07 104.00 1tk0 h GLY 129 Ca 0.25 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1tk0 h GLY 129 CO -0.04 0.47 0.07 -1.82 0.00 0.00 0.00 176.54 175.22 1tk0 h TYR 130 N 0.53 0.24 0.06 5.60 3.20 -0.50 -0.97 116.97 125.14 1tk0 h TYR 130 Ca 0.08 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1tk0 h TYR 130 Cb 0.64 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 1tk0 h TYR 130 CO 0.03 0.28 -0.32 0.00 -1.64 0.00 0.00 178.16 176.51 1tk0 h ARG 131 N 0.12 -0.49 -0.86 1.82 2.47 -0.79 -1.20 114.38 115.45 1tk0 h ARG 131 Ca 0.06 0.03 0.10 0.00 -1.26 0.00 0.00 59.98 58.91 1tk0 h ARG 131 Cb 0.14 0.11 -0.08 0.00 -1.65 0.00 0.00 29.97 28.50 1tk0 h ARG 131 CO -0.01 -0.33 0.50 -0.07 0.56 0.00 0.00 179.97 180.63 1tk0 h LEU 132 N -0.51 0.73 -1.63 3.04 3.38 -1.14 -1.06 115.31 118.11 1tk0 h LEU 132 Ca 0.04 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1tk0 h LEU 132 Cb 0.56 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1tk0 h LEU 132 CO -0.22 0.41 -0.21 1.23 0.09 0.00 0.00 178.44 179.74 1tk0 h GLY 133 N 0.84 0.00 -1.32 0.83 0.00 -0.40 -2.95 103.07 100.06 1tk0 h GLY 133 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1tk0 h GLY 133 CO -0.25 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.47 1tk0 n GLU 134 N -4.02 2.04 -0.26 4.80 -0.58 -0.46 -3.22 120.64 118.95 1tk0 n GLU 134 Ca -0.02 -1.53 -0.03 0.00 -0.42 0.00 0.00 57.16 55.16 1tk0 n GLU 134 Cb 0.28 -1.47 0.08 0.00 -0.57 0.00 0.00 31.44 29.76 1tk0 n GLU 134 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1tk0 h MET 135 N 3.57 0.88 0.69 3.49 2.86 -1.23 0.12 114.93 125.31 1tk0 h MET 135 Ca 0.00 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1tk0 h MET 135 Cb 0.76 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 32.23 1tk0 h MET 135 CO 0.00 0.58 -0.33 0.87 1.06 0.00 0.00 176.91 179.09 1tk0 h LYS 136 N 0.91 -0.90 -0.76 1.72 1.57 -1.81 0.31 116.57 117.60 1tk0 h LYS 136 Ca 0.29 0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.17 1tk0 h LYS 136 Cb -0.01 0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1tk0 h LYS 136 CO -0.10 -0.58 0.50 0.78 -0.57 0.00 0.00 179.45 179.48 1tk0 h GLY 137 N -1.00 1.04 1.22 3.86 0.00 -1.84 0.42 103.07 106.77 1tk0 h GLY 137 Ca -0.10 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 1tk0 h GLY 137 CO 0.16 0.29 -0.08 -2.09 0.00 0.00 0.00 176.54 174.82 1tk0 h GLU 138 N 0.88 0.92 -0.34 4.80 4.81 -0.54 -1.93 114.58 123.18 1tk0 h GLU 138 Ca 0.31 -0.31 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1tk0 h GLU 138 Cb 0.12 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1tk0 h GLU 138 CO -0.10 0.96 -0.39 -0.92 -0.73 0.00 0.00 179.01 177.83 1tk0 h TYR 139 N 0.83 1.00 -0.86 0.92 3.20 0.78 -2.79 116.97 120.05 1tk0 h TYR 139 Ca 0.14 -0.30 0.02 0.00 3.14 0.00 0.00 58.73 61.73 1tk0 h TYR 139 Cb 0.60 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 1tk0 h TYR 139 CO 0.04 1.09 0.57 -0.22 -1.64 0.00 0.00 178.16 177.99 1tk0 h LYS 140 N 0.68 1.11 0.14 1.82 3.64 -0.71 -1.55 116.57 121.70 1tk0 h LYS 140 Ca 0.06 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1tk0 h LYS 140 Cb 0.96 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1tk0 h LYS 140 CO 0.09 0.74 -0.11 -0.44 -2.27 0.00 0.00 179.45 177.45 1tk0 h ASP 141 N 1.15 -0.30 -0.03 4.20 3.32 -1.14 0.24 116.42 123.86 1tk0 h ASP 141 Ca 0.32 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.43 1tk0 h ASP 141 Cb -0.10 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 1tk0 h ASP 141 CO -0.08 -0.18 -0.37 0.44 -1.72 0.00 0.00 179.24 177.33 1tk0 h ASP 142 N -0.26 -1.14 -0.30 6.45 5.19 -1.21 -0.53 116.42 124.62 1tk0 h ASP 142 Ca -0.00 0.15 0.07 0.00 -0.62 0.00 0.00 57.03 56.62 1tk0 h ASP 142 Cb 0.24 0.46 -0.07 0.00 0.18 0.00 0.00 39.33 40.14 1tk0 h ASP 142 CO -0.02 -0.42 -0.18 0.15 -3.12 0.00 0.00 179.24 175.65 1tk0 h PHE 143 N -0.51 -0.45 -0.78 4.55 3.57 -1.08 0.43 116.94 122.65 1tk0 h PHE 143 Ca 0.06 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1tk0 h PHE 143 Cb 0.61 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 1tk0 h PHE 143 CO -0.40 -0.26 0.51 0.87 -2.23 0.00 0.00 178.31 176.80 1tk0 h LYS 144 N -0.15 0.97 -0.13 1.11 1.57 -0.60 -1.95 116.57 117.39 1tk0 h LYS 144 Ca 0.16 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1tk0 h LYS 144 Cb 0.39 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1tk0 h LYS 144 CO -0.39 0.64 0.03 -0.09 -0.57 0.00 0.00 179.45 179.07 1tk0 h ARG 145 N 1.00 0.21 -0.83 3.15 2.43 -0.40 -2.03 114.38 117.90 1tk0 h ARG 145 Ca 0.31 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 1tk0 h ARG 145 Cb -0.02 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 1tk0 h ARG 145 CO -0.10 0.36 0.54 0.52 -1.51 0.00 0.00 179.97 179.79 1tk0 h MET 146 N 0.02 0.86 0.33 0.20 2.86 -0.67 -1.47 114.93 117.06 1tk0 h MET 146 Ca 0.04 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1tk0 h MET 146 Cb 0.25 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1tk0 h MET 146 CO -0.00 0.57 -0.16 -0.07 1.06 0.00 0.00 176.91 178.31 1tk0 h LEU 147 N 0.88 -0.38 0.00 1.22 3.38 -1.17 -2.64 115.31 116.60 1tk0 h LEU 147 Ca 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1tk0 h LEU 147 Cb 0.29 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1tk0 h LEU 147 CO -0.14 0.06 0.00 -0.62 0.09 0.00 0.00 178.44 177.83 1tk0 n GLU 148 N -5.11 0.12 0.05 1.13 1.02 -0.78 0.18 120.64 117.26 1tk0 n GLU 148 Ca -0.09 0.17 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1tk0 n GLU 148 Cb 0.27 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1tk0 n GLU 148 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1tk0 n GLU 149 N -1.22 0.46 -0.21 3.49 2.13 -0.56 -3.74 120.64 120.98 1tk0 n GLU 149 Ca 0.04 0.03 0.06 0.00 0.66 0.00 0.00 57.16 57.94 1tk0 n GLU 149 Cb 0.05 -1.68 0.17 0.00 0.27 0.00 0.00 31.44 30.24 1tk0 n GLU 149 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1tk0 n GLN 150 N -2.29 2.89 0.00 5.31 1.13 0.49 -4.99 117.38 119.92 1tk0 n GLN 150 Ca 0.01 -2.15 0.00 0.00 -1.94 0.00 0.00 57.00 52.91 1tk0 n GLN 150 Cb 0.50 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.50 1tk0 n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tk0 n GLY 151 N 0.35 1.46 3.47 1.08 0.00 -0.46 -4.99 105.19 106.09 1tk0 n GLY 151 Ca 0.13 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1tk0 n GLY 151 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tk0 n GLU 152 N 0.00 0.44 -3.42 1.61 1.02 -1.16 -4.81 120.64 114.31 1tk0 n GLU 152 Ca 0.00 0.18 -0.29 0.00 -0.02 0.00 0.00 57.16 57.03 1tk0 n GLU 152 Cb 0.00 -1.76 -0.04 0.00 -0.02 0.00 0.00 31.44 29.62 1tk0 n GLU 152 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1tk0 s GLU 153 N -2.38 3.65 -0.10 3.49 2.02 -1.26 -3.59 118.70 120.53 1tk0 s GLU 153 Ca 0.68 0.01 -0.16 0.00 0.02 0.00 0.00 54.97 55.51 1tk0 s GLU 153 Cb -0.40 -2.69 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 1tk0 s GLU 153 CO 0.56 0.28 0.40 -0.47 0.02 0.00 0.00 175.26 176.05 1tk0 s TYR 154 N -1.97 3.56 0.16 1.61 5.04 -1.26 -4.98 117.35 119.51 1tk0 s TYR 154 Ca 0.44 0.83 0.07 0.00 -2.44 0.00 0.00 57.07 55.97 1tk0 s TYR 154 Cb -0.11 -2.42 -0.04 0.00 0.35 0.00 0.00 41.96 39.74 1tk0 s TYR 154 CO 0.28 0.32 -0.03 0.08 -1.34 0.00 0.00 175.55 174.85 1tk0 s VAL 155 N 0.12 3.60 0.00 3.14 1.01 -1.26 -5.00 120.40 122.01 1tk0 s VAL 155 Ca 0.23 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1tk0 s VAL 155 Cb -0.15 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1tk0 s VAL 155 CO 0.09 -0.08 0.00 0.47 0.00 0.00 0.00 175.10 175.58 1tk0 n ASP 156 N 0.03 0.00 -2.68 3.32 9.92 -1.26 -1.74 116.55 124.14 1tk0 n ASP 156 Ca -0.10 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.10 1tk0 n ASP 156 Cb 0.55 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.12 1tk0 n ASP 156 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1tk0 n GLY 157 N 0.00 1.01 0.00 0.44 0.00 -1.26 -5.01 105.19 100.37 1tk0 n GLY 157 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.92 1tk0 n GLY 157 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1tk0 n MET 158 N -0.64 0.00 0.34 1.61 0.00 -0.71 -3.20 117.12 114.51 1tk0 n MET 158 Ca -0.08 0.47 0.23 0.00 0.00 0.00 0.00 57.70 58.32 1tk0 n MET 158 Cb 0.81 -1.50 1.21 0.00 0.00 0.00 0.00 33.22 33.74 1tk0 n MET 158 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 1tk0 h GLU 159 N 0.00 0.00 -0.09 3.17 9.09 -1.95 -2.42 114.58 122.37 1tk0 h GLU 159 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1tk0 h GLU 159 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 1tk0 h GLU 159 CO 0.00 0.00 0.00 0.91 0.05 0.00 0.00 179.01 179.97 1tk0 n TRP 160 N -3.09 0.10 -0.04 2.06 7.02 -1.19 -4.58 117.44 117.72 1tk0 n TRP 160 Ca -0.03 -0.07 -0.10 0.00 -1.02 0.00 0.00 57.50 56.28 1tk0 n TRP 160 Cb 0.08 -0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.01 1tk0 n TRP 160 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 1tk0 h TRP 161 N 3.20 0.84 -3.97 -5.99 6.55 -1.66 -3.39 115.95 111.54 1tk0 h TRP 161 Ca 0.00 -0.27 -0.21 0.00 0.95 0.00 0.00 58.89 59.37 1tk0 h TRP 161 Cb 0.71 -0.17 -0.18 0.00 -0.86 0.00 0.00 29.16 28.66 1tk0 h TRP 161 CO 0.05 1.02 -0.70 -0.80 -1.05 0.00 0.00 178.44 176.95 1tk0 s ASN 162 N -6.88 0.78 0.42 -3.49 0.01 -1.26 -4.99 114.94 99.54 1tk0 s ASN 162 Ca -0.09 -0.79 -0.23 0.00 -0.71 0.00 0.00 52.86 51.04 1tk0 s ASN 162 Cb 0.12 0.10 -0.09 0.00 0.41 0.00 0.00 41.25 41.79 1tk0 s ASN 162 CO 0.85 -0.39 1.06 0.12 -1.51 0.00 0.00 177.10 177.23 1tk0 s PHE 163 N -2.67 3.16 0.19 2.20 5.36 -1.26 -5.03 117.98 119.92 1tk0 s PHE 163 Ca -0.00 1.61 -0.19 0.00 -0.96 0.00 0.00 56.93 57.39 1tk0 s PHE 163 Cb -0.01 -3.15 0.04 0.00 -0.34 0.00 0.00 43.02 39.56 1tk0 s PHE 163 CO -0.04 -0.79 0.56 0.54 -1.46 0.00 0.00 175.22 174.03 1tk0 s ASN 164 N -1.62 -0.35 0.62 6.13 2.20 -1.26 -5.05 114.94 115.61 1tk0 s ASN 164 Ca 0.60 -0.34 0.40 0.00 -0.94 0.00 0.00 52.86 52.59 1tk0 s ASN 164 Cb -0.22 0.59 2.01 0.00 -2.00 0.00 0.00 41.25 41.64 1tk0 s ASN 164 CO 0.27 -1.04 2.22 -0.33 -2.94 0.00 0.00 177.10 175.28 1tk0 h GLU 165 N 2.13 0.00 0.00 3.55 4.39 -1.99 -2.09 114.58 120.57 1tk0 h GLU 165 Ca -0.30 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.23 1tk0 h GLU 165 Cb 1.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1tk0 h GLU 165 CO 0.37 0.00 -0.81 1.05 -1.16 0.00 0.00 179.01 178.46 1tk0 h GLU 166 N 0.00 0.00 -0.31 2.33 4.11 -1.99 -2.20 114.58 116.52 1tk0 h GLU 166 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 1tk0 h GLU 166 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1tk0 h GLU 166 CO 0.00 0.81 -0.30 1.98 0.07 0.00 0.00 179.01 181.57 1tk0 h MET 167 N 0.00 0.74 -0.18 1.06 4.05 -1.80 -2.32 114.93 116.49 1tk0 h MET 167 Ca -0.01 -0.39 0.03 0.00 -0.28 0.00 0.00 59.70 59.05 1tk0 h MET 167 Cb 1.60 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 32.39 1tk0 h MET 167 CO 0.11 1.01 -0.00 1.98 0.23 0.00 0.00 176.91 180.23 1tk0 h MET 168 N 0.50 0.05 -0.94 0.39 1.85 -1.36 -1.24 114.93 114.18 1tk0 h MET 168 Ca 0.05 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.15 1tk0 h MET 168 Cb 0.87 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.84 1tk0 h MET 168 CO 0.07 0.03 0.63 -0.44 -0.40 0.00 0.00 176.91 176.80 1tk0 h ASP 169 N 0.05 1.08 -0.27 1.39 3.32 -1.31 -1.17 116.42 119.52 1tk0 h ASP 169 Ca 0.08 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1tk0 h ASP 169 Cb 0.11 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1tk0 h ASP 169 CO -0.15 0.79 -0.05 1.88 -1.72 0.00 0.00 179.24 179.99 1tk0 h TYR 170 N 1.28 0.68 -0.65 4.55 0.05 -1.11 -0.55 116.97 121.21 1tk0 h TYR 170 Ca 0.35 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 1tk0 h TYR 170 Cb -0.15 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.37 1tk0 h TYR 170 CO -0.01 0.68 0.37 -0.97 -1.05 0.00 0.00 178.16 177.18 1tk0 h ASN 171 N 0.59 0.81 -0.36 3.88 -0.00 -0.10 0.24 115.58 120.63 1tk0 h ASN 171 Ca 0.12 -0.08 -0.05 0.00 -0.00 0.00 0.00 56.30 56.28 1tk0 h ASN 171 Cb 0.45 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 1tk0 h ASN 171 CO 0.02 0.65 0.03 0.58 -0.00 0.00 0.00 177.43 178.72 1tk0 h VAL 172 N 0.89 1.25 -0.51 2.57 2.07 -0.67 -2.85 116.25 119.01 1tk0 h VAL 172 Ca 0.23 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1tk0 h VAL 172 Cb 0.02 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1tk0 h VAL 172 CO -0.04 0.31 0.10 1.56 0.02 0.00 0.00 177.57 179.52 1tk0 h GLN 173 N 0.44 0.78 -0.80 1.57 1.08 -0.77 -2.03 115.11 115.37 1tk0 h GLN 173 Ca 0.11 -0.16 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1tk0 h GLN 173 Cb 0.41 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.67 1tk0 h GLN 173 CO 0.01 0.72 0.50 -0.44 -0.95 0.00 0.00 178.83 178.67 1tk0 h ASP 174 N 0.75 0.82 -0.35 1.46 5.19 -0.77 -0.29 116.42 123.23 1tk0 h ASP 174 Ca 0.16 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.44 1tk0 h ASP 174 Cb 0.30 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1tk0 h ASP 174 CO 0.00 0.55 -0.33 0.58 -3.12 0.00 0.00 179.24 176.93 1tk0 h VAL 175 N 0.96 1.28 -0.79 -1.35 2.07 -1.22 0.28 116.25 117.48 1tk0 h VAL 175 Ca 0.33 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 1tk0 h VAL 175 Cb 0.06 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1tk0 h VAL 175 CO -0.13 0.49 0.31 -0.37 0.02 0.00 0.00 177.57 177.90 1tk0 h VAL 176 N 0.63 1.26 -0.40 2.57 -1.51 -1.04 0.15 116.25 117.91 1tk0 h VAL 176 Ca 0.06 -0.82 -0.13 0.00 -1.23 0.00 0.00 66.70 64.57 1tk0 h VAL 176 Cb 0.91 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.38 1tk0 h VAL 176 CO 0.08 0.34 -0.29 0.58 -1.23 0.00 0.00 177.57 177.05 1tk0 h VAL 177 N 1.14 1.27 -0.57 7.19 2.07 -0.87 -1.92 116.25 124.56 1tk0 h VAL 177 Ca 0.26 -1.44 -0.08 0.00 0.82 0.00 0.00 66.70 66.26 1tk0 h VAL 177 Cb 0.22 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1tk0 h VAL 177 CO -0.02 0.48 0.04 0.74 0.02 0.00 0.00 177.57 178.83 1tk0 h THR 178 N 0.73 1.25 -0.60 2.57 2.02 0.08 -0.14 112.91 118.81 1tk0 h THR 178 Ca 0.08 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 1tk0 h THR 178 Cb 0.84 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1tk0 h THR 178 CO 0.07 0.38 0.28 0.50 0.37 0.00 0.00 175.52 177.13 1tk0 h LYS 179 N 0.89 0.87 -0.41 6.66 3.64 -0.53 0.41 116.57 128.09 1tk0 h LYS 179 Ca 0.17 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1tk0 h LYS 179 Cb 0.47 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1tk0 h LYS 179 CO 0.02 0.71 0.05 0.00 -2.27 0.00 0.00 179.45 177.96 1tk0 h ALA 180 N 1.12 0.55 -0.12 5.00 0.00 -0.95 -2.10 119.26 122.76 1tk0 h ALA 180 Ca 0.21 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1tk0 h ALA 180 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1tk0 h ALA 180 CO -0.02 0.29 0.04 1.25 0.00 0.00 0.00 179.25 180.81 1tk0 h LEU 181 N 0.55 0.05 -0.10 0.00 6.46 -0.72 -1.71 115.31 119.85 1tk0 h LEU 181 Ca 0.12 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.94 1tk0 h LEU 181 Cb 0.40 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 1tk0 h LEU 181 CO 0.01 0.05 -0.31 0.25 -0.62 0.00 0.00 178.44 177.82 1tk0 h LEU 182 N 0.11 -0.96 -1.88 2.25 5.85 -0.76 -1.05 115.31 118.88 1tk0 h LEU 182 Ca 0.05 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1tk0 h LEU 182 Cb 0.03 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1tk0 h LEU 182 CO -0.05 -0.36 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.25 1tk0 h GLU 183 N -0.40 0.00 -0.38 1.25 5.08 -1.19 0.84 114.58 119.77 1tk0 h GLU 183 Ca 0.09 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1tk0 h GLU 183 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1tk0 h GLU 183 CO -0.33 0.11 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.18 1tk0 h LYS 184 N 0.00 0.93 -0.19 2.33 3.64 -0.43 -2.32 116.57 120.53 1tk0 h LYS 184 Ca -0.00 -0.50 -0.19 0.00 -1.27 0.00 0.00 60.65 58.70 1tk0 h LYS 184 Cb 0.23 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1tk0 h LYS 184 CO 0.01 1.15 -0.61 -0.07 -2.27 0.00 0.00 179.45 177.67 1tk0 h LEU 185 N 0.76 0.87 -2.11 5.20 3.38 -0.26 -3.07 115.31 120.07 1tk0 h LEU 185 Ca 0.06 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1tk0 h LEU 185 Cb 0.99 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1tk0 h LEU 185 CO 0.10 1.31 -0.06 -0.07 0.09 0.00 0.00 178.44 179.81 1tk0 h LEU 186 N 0.47 0.00 0.00 1.67 3.38 -0.85 -1.79 115.31 118.19 1tk0 h LEU 186 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1tk0 h LEU 186 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1tk0 h LEU 186 CO 0.13 0.06 0.00 -1.54 0.09 0.00 0.00 178.44 177.18 1tk0 n SER 187 N -3.38 0.00 -4.50 -0.43 3.41 -0.88 -4.62 113.62 103.22 1tk0 n SER 187 Ca -0.02 -0.85 -0.42 0.00 -0.26 0.00 0.00 58.87 57.33 1tk0 n SER 187 Cb 0.20 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1tk0 n SER 187 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1tk0 s ASP 188 N -1.97 6.21 0.51 4.04 -1.08 -0.68 -4.88 116.67 118.83 1tk0 s ASP 188 Ca 0.37 -0.85 0.33 0.00 -0.52 0.00 0.00 52.55 51.88 1tk0 s ASP 188 Cb 0.17 -2.48 1.47 0.00 -1.46 0.00 0.00 42.92 40.62 1tk0 s ASP 188 CO 0.29 -1.59 1.78 0.50 0.52 0.00 0.00 175.17 176.67 1tk0 h LYS 189 N 9.73 0.08 -0.37 4.34 3.64 -1.82 -0.13 116.57 132.04 1tk0 h LYS 189 Ca -0.23 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.07 1tk0 h LYS 189 Cb 1.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1tk0 h LYS 189 CO 1.23 0.05 -0.06 1.25 -2.27 0.00 0.00 179.45 179.66 1tk0 h HIS 190 N 0.08 0.64 0.00 1.91 2.76 -1.97 -3.30 115.15 115.28 1tk0 h HIS 190 Ca 0.60 -0.09 -0.37 0.00 -2.20 0.00 0.00 60.37 58.31 1tk0 h HIS 190 Cb 2.20 -0.18 -0.07 0.00 1.55 0.00 0.00 27.41 30.91 1tk0 h HIS 190 CO -0.00 0.65 -2.37 0.66 -1.30 0.00 0.00 177.93 175.58 1tk0 n TYR 191 N -4.22 0.09 -3.99 5.26 4.02 -0.25 -4.80 117.16 113.27 1tk0 n TYR 191 Ca 0.01 0.03 -0.30 0.00 -0.01 0.00 0.00 57.90 57.63 1tk0 n TYR 191 Cb 0.30 -1.01 -0.16 0.00 -0.02 0.00 0.00 39.34 38.45 1tk0 n TYR 191 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1tk0 s PHE 192 N -2.51 2.45 0.20 -0.72 0.08 -0.23 -1.27 117.98 115.99 1tk0 s PHE 192 Ca -0.17 -1.64 -0.32 0.00 0.12 0.00 0.00 56.93 54.91 1tk0 s PHE 192 Cb 0.07 -1.64 -0.14 0.00 -0.57 0.00 0.00 43.02 40.74 1tk0 s PHE 192 CO 0.76 -0.75 1.43 -2.30 -0.10 0.00 0.00 175.22 174.26 1tk0 n PRO 193 N 4.67 1.95 -0.10 0.24 -0.02 -1.26 -4.09 135.00 136.40 1tk0 n PRO 193 Ca -0.14 0.70 0.09 0.00 -2.02 0.00 0.00 63.50 62.12 1tk0 n PRO 193 Cb 0.46 -2.37 0.44 0.00 -0.02 0.00 0.00 33.50 32.00 1tk0 n PRO 193 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1tk0 h PRO 194 N 4.63 0.53 0.00 0.52 0.11 -1.94 -2.74 132.00 133.11 1tk0 h PRO 194 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1tk0 h PRO 194 Cb 1.28 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1tk0 h PRO 194 CO 0.79 0.35 0.00 0.39 -0.21 0.00 0.00 178.00 179.32 1tk0 n GLU 195 N -4.48 0.14 -5.00 1.05 4.71 -1.26 -4.65 120.64 111.16 1tk0 n GLU 195 Ca 0.09 0.59 -0.32 0.00 -0.01 0.00 0.00 57.16 57.50 1tk0 n GLU 195 Cb 0.26 -1.92 -0.15 0.00 -1.01 0.00 0.00 31.44 28.62 1tk0 n GLU 195 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1tk0 s ILE 196 N -3.48 2.67 -0.71 -3.67 1.01 -1.04 -5.06 121.20 110.92 1tk0 s ILE 196 Ca -0.01 -0.83 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 1tk0 s ILE 196 Cb 0.07 -2.05 0.10 0.00 0.01 0.00 0.00 42.46 40.59 1tk0 s ILE 196 CO 0.22 0.56 0.91 -0.62 0.00 0.00 0.00 174.94 176.02 1tk0 s ASP 197 N -0.11 6.31 0.00 3.58 -1.08 -1.26 -4.88 116.67 119.23 1tk0 s ASP 197 Ca -0.03 -1.46 0.13 0.00 -0.52 0.00 0.00 52.55 50.66 1tk0 s ASP 197 Cb -0.14 -2.37 0.69 0.00 -1.46 0.00 0.00 42.92 39.64 1tk0 s ASP 197 CO 0.04 -1.21 1.27 0.49 0.52 0.00 0.00 175.17 176.28 1tk0 n PHE 198 N 6.83 0.00 0.66 -5.34 3.01 -1.26 -1.41 117.46 119.95 1tk0 n PHE 198 Ca 0.02 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.59 1tk0 n PHE 198 Cb 0.45 -0.17 0.27 0.00 -0.01 0.00 0.00 39.48 40.03 1tk0 n PHE 198 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1tk0 n THR 199 N -1.17 0.42 -2.72 4.37 -2.24 -1.26 -4.20 114.28 107.48 1tk0 n THR 199 Ca 0.07 -0.59 -0.03 0.00 -2.27 0.00 0.00 64.05 61.23 1tk0 n THR 199 Cb 0.08 0.66 0.05 0.00 -2.10 0.00 0.00 70.33 69.02 1tk0 n THR 199 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1tk0 n ASP 200 N 0.99 2.03 -4.17 3.42 2.03 -0.50 -4.40 116.55 115.96 1tk0 n ASP 200 Ca 0.18 -2.27 -0.12 0.00 0.52 0.00 0.00 54.79 53.10 1tk0 n ASP 200 Cb 0.48 -0.46 -0.10 0.00 -0.72 0.00 0.00 41.12 40.32 1tk0 n ASP 200 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1tk0 s VAL 201 N -3.86 0.77 0.90 5.18 -7.23 -1.25 -4.96 120.40 109.95 1tk0 s VAL 201 Ca 0.31 -1.78 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 1tk0 s VAL 201 Cb 0.33 -1.50 0.13 0.00 0.56 0.00 0.00 36.38 35.91 1tk0 s VAL 201 CO -0.03 -0.74 1.10 -0.83 -0.31 0.00 0.00 175.10 174.30 1tk0 s GLY 202 N -2.75 1.59 0.23 2.32 0.00 -1.26 -4.74 107.32 102.71 1tk0 s GLY 202 Ca 0.08 -0.29 -0.08 0.00 0.00 0.00 0.00 44.72 44.44 1tk0 s GLY 202 CO -0.03 0.23 1.90 0.10 0.00 0.00 0.00 173.10 175.30 1tk0 h TYR 203 N -1.51 1.09 -0.80 1.90 -0.00 -1.50 -2.07 116.97 114.07 1tk0 h TYR 203 Ca -0.50 0.03 0.03 0.00 0.00 0.00 0.00 58.73 58.28 1tk0 h TYR 203 Cb 1.30 -0.37 -0.05 0.00 0.00 0.00 0.00 36.73 37.62 1tk0 h TYR 203 CO 0.37 0.67 0.51 1.15 -0.00 0.00 0.00 178.16 180.86 1tk0 h THR 204 N 1.16 1.14 -0.62 -0.90 2.02 -1.89 -1.90 112.91 111.92 1tk0 h THR 204 Ca 0.33 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1tk0 h THR 204 Cb -0.09 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.34 1tk0 h THR 204 CO -0.09 0.19 0.05 0.74 0.37 0.00 0.00 175.52 176.78 1tk0 h THR 205 N 1.02 1.26 -0.29 3.16 2.02 -1.83 -1.38 112.91 116.86 1tk0 h THR 205 Ca 0.31 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 66.43 1tk0 h THR 205 Cb -0.02 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1tk0 h THR 205 CO -0.10 0.40 0.14 0.15 0.37 0.00 0.00 175.52 176.48 1tk0 h PHE 206 N 0.98 0.25 -0.08 3.16 3.04 -0.68 -0.14 116.94 123.47 1tk0 h PHE 206 Ca 0.18 0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.97 1tk0 h PHE 206 Cb 0.49 -0.07 0.01 0.00 2.56 0.00 0.00 35.95 38.94 1tk0 h PHE 206 CO 0.03 0.13 -0.65 -1.49 -2.02 0.00 0.00 178.31 174.32 1tk0 h TRP 207 N 0.29 0.81 0.00 0.41 -0.00 -1.33 -3.01 115.95 113.12 1tk0 h TRP 207 Ca 0.12 -0.38 -0.09 0.00 -0.00 0.00 0.00 58.89 58.54 1tk0 h TRP 207 Cb 0.05 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.09 1tk0 h TRP 207 CO -0.10 1.19 -0.42 0.66 -0.00 0.00 0.00 178.44 179.76 1tk0 h SER 208 N 0.19 0.00 0.67 -3.49 4.64 -1.19 -3.29 113.55 111.08 1tk0 h SER 208 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1tk0 h SER 208 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1tk0 h SER 208 CO 0.13 0.42 -1.17 -0.62 -0.87 0.00 0.00 176.83 174.73 1tk0 n GLU 209 N -3.45 0.52 -2.71 4.77 -0.58 -0.07 -4.93 120.64 114.18 1tk0 n GLU 209 Ca 0.00 0.03 -0.25 0.00 -0.42 0.00 0.00 57.16 56.53 1tk0 n GLU 209 Cb 0.57 -1.71 0.02 0.00 -0.57 0.00 0.00 31.44 29.76 1tk0 n GLU 209 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1tk0 s SER 210 N -4.78 5.74 0.47 1.62 1.04 -1.14 -4.56 113.70 112.09 1tk0 s SER 210 Ca -0.00 0.50 -0.23 0.00 0.48 0.00 0.00 55.95 56.69 1tk0 s SER 210 Cb 0.12 -1.64 -0.09 0.00 0.10 0.00 0.00 66.02 64.52 1tk0 s SER 210 CO 0.81 -0.86 1.10 -0.11 0.98 0.00 0.00 173.24 175.17 1tk0 n LEU 211 N -2.31 3.46 -0.34 2.42 7.94 -0.39 -4.86 117.00 122.92 1tk0 n LEU 211 Ca 0.03 1.01 0.16 0.00 -1.11 0.00 0.00 56.01 56.10 1tk0 n LEU 211 Cb 0.57 -1.42 0.37 0.00 0.53 0.00 0.00 43.42 43.47 1tk0 n LEU 211 CO 0.50 -1.24 1.16 -0.08 -1.11 0.00 0.00 177.39 176.62 1tk0 h GLU 212 N 1.49 0.58 -0.68 1.96 4.81 -1.90 -1.32 114.58 119.52 1tk0 h GLU 212 Ca -0.47 -0.03 0.14 0.00 -0.13 0.00 0.00 59.36 58.87 1tk0 h GLU 212 Cb 1.33 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.53 1tk0 h GLU 212 CO 0.57 0.38 0.46 0.00 -0.73 0.00 0.00 179.01 179.69 1tk0 h ALA 213 N 1.72 2.18 -0.63 2.92 0.00 -1.87 -1.06 119.26 122.51 1tk0 h ALA 213 Ca 0.63 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.49 1tk0 h ALA 213 Cb 1.16 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1tk0 h ALA 213 CO -0.46 -0.36 0.25 0.28 0.00 0.00 0.00 179.25 178.95 1tk0 h VAL 214 N 0.33 1.24 -0.22 0.00 2.07 -1.58 -0.35 116.25 117.74 1tk0 h VAL 214 Ca 0.33 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 1tk0 h VAL 214 Cb 0.83 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1tk0 h VAL 214 CO -0.09 0.29 -0.23 -0.78 0.02 0.00 0.00 177.57 176.78 1tk0 h ASP 215 N 0.89 0.58 -0.77 0.57 3.58 -1.32 -2.85 116.42 117.09 1tk0 h ASP 215 Ca 0.21 -0.48 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 1tk0 h ASP 215 Cb 0.21 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 1tk0 h ASP 215 CO -0.02 0.94 0.41 0.40 -2.88 0.00 0.00 179.24 178.09 1tk0 h ILE 216 N 0.22 1.24 -0.41 2.25 2.04 -1.21 -1.76 117.51 119.87 1tk0 h ILE 216 Ca 0.03 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 1tk0 h ILE 216 Cb 0.79 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1tk0 h ILE 216 CO 0.06 0.27 0.04 -0.33 0.00 0.00 0.00 178.15 178.19 1tk0 h GLU 217 N 1.07 0.70 -0.61 2.37 4.39 -1.07 -0.63 114.58 120.80 1tk0 h GLU 217 Ca 0.27 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 1tk0 h GLU 217 Cb 0.06 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1tk0 h GLU 217 CO -0.04 0.76 0.09 0.45 -1.16 0.00 0.00 179.01 179.11 1tk0 h HIS 218 N 0.54 1.05 -0.54 4.33 3.86 -1.38 -0.89 115.15 122.13 1tk0 h HIS 218 Ca 0.12 -0.14 -0.10 0.00 -1.16 0.00 0.00 60.37 59.09 1tk0 h HIS 218 Cb 0.41 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 1tk0 h HIS 218 CO 0.03 0.90 -0.07 0.00 0.86 0.00 0.00 177.93 179.65 1tk0 h ARG 219 N 0.94 1.00 -0.55 2.45 3.08 -1.15 -1.83 114.38 118.33 1tk0 h ARG 219 Ca 0.19 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 1tk0 h ARG 219 Cb 0.42 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1tk0 h ARG 219 CO 0.01 1.04 0.10 0.00 -1.07 0.00 0.00 179.97 180.05 1tk0 h ALA 220 N 0.93 0.72 -0.50 0.04 0.00 -0.85 -1.65 119.26 117.95 1tk0 h ALA 220 Ca 0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1tk0 h ALA 220 Cb 0.63 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1tk0 h ALA 220 CO 0.04 0.45 -0.09 0.00 0.00 0.00 0.00 179.25 179.65 1tk0 h ALA 221 N 1.00 0.89 -0.59 0.00 0.00 -1.09 0.14 119.26 119.61 1tk0 h ALA 221 Ca 0.17 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1tk0 h ALA 221 Cb 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1tk0 h ALA 221 CO 0.01 0.64 -0.05 2.35 0.00 0.00 0.00 179.25 182.20 1tk0 h TRP 222 N 0.82 1.18 -0.15 0.00 2.91 -1.19 -0.86 115.95 118.66 1tk0 h TRP 222 Ca 0.14 -0.22 -0.05 0.00 1.13 0.00 0.00 58.89 59.88 1tk0 h TRP 222 Cb 0.62 -0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 28.97 1tk0 h TRP 222 CO 0.04 1.05 -0.10 1.25 -1.03 0.00 0.00 178.44 179.65 1tk0 h LEU 223 N 0.96 0.35 -1.20 0.65 5.85 -1.10 -3.00 115.31 117.82 1tk0 h LEU 223 Ca 0.16 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 1tk0 h LEU 223 Cb 0.62 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1tk0 h LEU 223 CO 0.04 0.71 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.46 1tk0 h LEU 224 N -0.02 0.13 -0.69 2.25 3.38 -0.92 -0.98 115.31 118.47 1tk0 h LEU 224 Ca 0.03 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1tk0 h LEU 224 Cb 0.60 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1tk0 h LEU 224 CO 0.03 0.45 0.17 0.00 0.09 0.00 0.00 178.44 179.18 1tk0 h ALA 225 N 1.56 0.90 -0.75 1.53 0.00 -1.18 -0.39 119.26 120.93 1tk0 h ALA 225 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1tk0 h ALA 225 Cb 0.63 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1tk0 h ALA 225 CO 0.05 0.62 0.45 -0.22 0.00 0.00 0.00 179.25 180.15 1tk0 h LYS 226 N 1.03 1.03 -0.74 0.00 1.63 -1.20 -1.59 116.57 116.72 1tk0 h LYS 226 Ca 0.22 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1tk0 h LYS 226 Cb 0.36 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 1tk0 h LYS 226 CO 0.00 0.73 0.46 0.37 -3.45 0.00 0.00 179.45 177.56 1tk0 h GLN 227 N 1.03 0.99 -0.12 1.90 4.15 -0.49 -0.56 115.11 122.01 1tk0 h GLN 227 Ca 0.27 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1tk0 h GLN 227 Cb -0.03 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 1tk0 h GLN 227 CO -0.05 0.69 0.08 0.93 -1.93 0.00 0.00 178.83 178.55 1tk0 h GLU 228 N 1.01 0.17 -0.59 1.69 5.08 -0.59 -0.68 114.58 120.66 1tk0 h GLU 228 Ca 0.27 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 1tk0 h GLU 228 Cb -0.06 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1tk0 h GLU 228 CO -0.05 0.13 0.39 0.00 -1.00 0.00 0.00 179.01 178.48 1tk0 h ARG 229 N 0.15 0.59 -0.14 2.33 3.08 -0.90 -1.73 114.38 117.77 1tk0 h ARG 229 Ca 0.05 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1tk0 h ARG 229 Cb 0.00 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1tk0 h ARG 229 CO -0.01 0.39 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.36 1tk0 h ASN 230 N 0.61 0.25 -3.90 7.04 2.35 -0.49 -3.50 115.58 117.94 1tk0 h ASN 230 Ca 0.25 -0.34 0.06 0.00 -0.55 0.00 0.00 56.30 55.72 1tk0 h ASN 230 Cb 0.22 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1tk0 h ASN 230 CO -0.07 0.53 -0.10 0.61 -1.65 0.00 0.00 177.43 176.74 1tk0 n GLY 231 N -0.21 -1.63 3.14 2.83 0.00 -0.32 -4.84 105.19 104.16 1tk0 n GLY 231 Ca -0.06 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 1tk0 n GLY 231 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1tk0 s PHE 232 N -1.57 3.11 -0.09 1.61 2.19 0.04 -4.57 117.98 118.70 1tk0 s PHE 232 Ca 0.00 -1.87 -0.38 0.00 0.33 0.00 0.00 56.93 55.00 1tk0 s PHE 232 Cb 0.00 -2.00 -0.16 0.00 -1.31 0.00 0.00 43.02 39.55 1tk0 s PHE 232 CO 0.00 -0.80 1.54 -2.30 1.83 0.00 0.00 175.22 175.49 1tk0 n PRO 233 N 4.57 1.16 -4.90 10.12 -0.02 -1.26 -1.91 135.00 142.76 1tk0 n PRO 233 Ca -0.16 0.42 -0.27 0.00 -2.02 0.00 0.00 63.50 61.47 1tk0 n PRO 233 Cb 0.45 -2.09 -0.16 0.00 -0.02 0.00 0.00 33.50 31.68 1tk0 n PRO 233 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1tk0 s PHE 234 N 2.03 1.87 -1.20 6.00 5.36 -0.43 -2.03 117.98 129.56 1tk0 s PHE 234 Ca 0.91 -0.58 -0.16 0.00 -0.96 0.00 0.00 56.93 56.14 1tk0 s PHE 234 Cb -1.01 -1.26 0.13 0.00 -0.34 0.00 0.00 43.02 40.54 1tk0 s PHE 234 CO 0.56 -0.21 1.50 0.34 -1.46 0.00 0.00 175.22 175.95 1tk0 s ASP 235 N 0.11 6.94 0.23 6.13 -1.08 0.53 -4.77 116.67 124.76 1tk0 s ASP 235 Ca -0.07 -2.69 -0.06 0.00 -0.52 0.00 0.00 52.55 49.21 1tk0 s ASP 235 Cb -0.13 -2.46 0.36 0.00 -1.46 0.00 0.00 42.92 39.23 1tk0 s ASP 235 CO 0.03 -0.93 1.77 0.74 0.52 0.00 0.00 175.17 177.30 1tk0 h THR 236 N 5.12 0.80 -0.12 1.71 2.02 -1.91 -2.75 112.91 117.78 1tk0 h THR 236 Ca 0.34 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.35 1tk0 h THR 236 Cb 0.89 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1tk0 h THR 236 CO 1.30 0.10 -0.04 0.11 0.37 0.00 0.00 175.52 177.37 1tk0 h LYS 237 N 0.56 -0.01 -0.24 6.66 1.79 -2.00 -1.07 116.57 122.26 1tk0 h LYS 237 Ca 0.36 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.82 1tk0 h LYS 237 Cb 0.43 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1tk0 h LYS 237 CO -0.30 -0.01 0.10 0.00 -1.08 0.00 0.00 179.45 178.16 1tk0 h ALA 238 N 1.11 1.71 0.06 3.86 0.00 -1.92 -1.42 119.26 122.67 1tk0 h ALA 238 Ca 0.06 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1tk0 h ALA 238 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1tk0 h ALA 238 CO -0.13 0.23 -1.09 0.82 0.00 0.00 0.00 179.25 179.08 1tk0 h ILE 239 N 0.34 1.59 -0.43 0.00 1.08 -1.23 -0.99 117.51 117.87 1tk0 h ILE 239 Ca 0.09 -3.15 -0.09 0.00 -0.39 0.00 0.00 64.86 61.32 1tk0 h ILE 239 Cb 0.07 2.84 -0.02 0.00 -3.07 0.00 0.00 36.82 36.65 1tk0 h ILE 239 CO -0.01 0.91 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.95 1tk0 h GLU 240 N 0.05 0.76 -0.20 2.37 5.08 -0.71 0.12 114.58 122.05 1tk0 h GLU 240 Ca -0.07 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 57.88 1tk0 h GLU 240 Cb 1.82 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 1tk0 h GLU 240 CO 0.16 0.82 -0.57 0.93 -1.00 0.00 0.00 179.01 179.35 1tk0 h GLU 241 N 0.69 0.63 -0.79 2.33 5.08 -1.21 -2.25 114.58 119.06 1tk0 h GLU 241 Ca 0.12 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 1tk0 h GLU 241 Cb 0.55 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1tk0 h GLU 241 CO 0.03 1.02 0.30 1.25 -1.00 0.00 0.00 179.01 180.62 1tk0 h LEU 242 N 0.47 1.10 -1.14 1.33 5.85 -0.73 -2.26 115.31 119.94 1tk0 h LEU 242 Ca 0.00 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1tk0 h LEU 242 Cb 1.14 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1tk0 h LEU 242 CO 0.11 0.98 0.48 0.22 -0.34 0.00 0.00 178.44 179.89 1tk0 h TYR 243 N 1.16 1.03 -0.13 1.25 3.20 -0.49 0.11 116.97 123.10 1tk0 h TYR 243 Ca 0.26 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1tk0 h TYR 243 Cb 0.24 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1tk0 h TYR 243 CO 0.02 0.68 0.02 0.28 -1.64 0.00 0.00 178.16 177.53 1tk0 h VAL 244 N 1.09 1.22 -0.33 1.81 2.07 -0.97 0.98 116.25 122.12 1tk0 h VAL 244 Ca 0.28 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1tk0 h VAL 244 Cb -0.05 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1tk0 h VAL 244 CO -0.05 0.20 0.19 -0.08 0.02 0.00 0.00 177.57 177.85 1tk0 h GLU 245 N -0.01 0.38 -0.47 1.57 4.81 -1.02 -0.48 114.58 119.35 1tk0 h GLU 245 Ca 0.04 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1tk0 h GLU 245 Cb 0.29 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1tk0 h GLU 245 CO 0.00 0.25 0.05 -0.07 -0.73 0.00 0.00 179.01 178.52 1tk0 h LEU 246 N 0.39 0.77 -0.98 1.64 3.38 -0.92 -2.26 115.31 117.33 1tk0 h LEU 246 Ca 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1tk0 h LEU 246 Cb 0.00 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1tk0 h LEU 246 CO -0.06 0.85 0.36 0.00 0.09 0.00 0.00 178.44 179.69 1tk0 h ALA 247 N 0.95 1.20 -0.31 1.53 0.00 -0.52 0.76 119.26 122.89 1tk0 h ALA 247 Ca 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1tk0 h ALA 247 Cb 0.42 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1tk0 h ALA 247 CO 0.01 0.61 0.07 0.00 0.00 0.00 0.00 179.25 179.94 1tk0 h ALA 248 N 1.31 0.40 -0.70 0.00 0.00 -0.93 -1.14 119.26 118.20 1tk0 h ALA 248 Ca 0.26 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1tk0 h ALA 248 Cb 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1tk0 h ALA 248 CO -0.03 0.07 0.19 -0.09 0.00 0.00 0.00 179.25 179.39 1tk0 h ARG 249 N 0.33 1.11 -0.14 0.00 9.65 -1.10 -1.69 114.38 122.54 1tk0 h ARG 249 Ca 0.10 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 1tk0 h ARG 249 Cb 0.30 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 1tk0 h ARG 249 CO 0.00 0.97 0.09 -0.09 2.80 0.00 0.00 179.97 183.74 1tk0 h ARG 250 N 1.05 0.18 -0.80 0.20 2.43 -0.63 -0.90 114.38 115.91 1tk0 h ARG 250 Ca 0.22 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.45 1tk0 h ARG 250 Cb 0.34 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 1tk0 h ARG 250 CO -0.00 0.12 0.47 0.77 -1.51 0.00 0.00 179.97 179.83 1tk0 h SER 251 N 0.18 0.72 -0.09 -3.80 0.02 -0.93 0.05 113.55 109.70 1tk0 h SER 251 Ca 0.05 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1tk0 h SER 251 Cb -0.02 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1tk0 h SER 251 CO -0.01 0.45 -0.39 -0.08 -1.14 0.00 0.00 176.83 175.67 1tk0 h GLU 252 N 0.85 0.60 -0.47 3.45 4.57 -1.05 -0.96 114.58 121.58 1tk0 h GLU 252 Ca 0.36 -0.30 -0.13 0.00 -1.18 0.00 0.00 59.36 58.10 1tk0 h GLU 252 Cb 0.22 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1tk0 h GLU 252 CO -0.19 0.89 -0.23 -0.07 -1.18 0.00 0.00 179.01 178.23 1tk0 h LEU 253 N 0.50 1.00 -0.31 1.64 3.38 -0.57 -1.91 115.31 119.04 1tk0 h LEU 253 Ca 0.05 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1tk0 h LEU 253 Cb 0.89 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1tk0 h LEU 253 CO 0.08 1.18 0.18 0.25 0.09 0.00 0.00 178.44 180.21 1tk0 h LEU 254 N 0.84 0.37 -0.12 1.67 5.85 -0.79 0.67 115.31 123.80 1tk0 h LEU 254 Ca 0.11 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1tk0 h LEU 254 Cb 0.80 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1tk0 h LEU 254 CO 0.07 0.33 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.28 1tk0 h ARG 255 N 0.38 -0.16 -0.37 1.25 2.43 -0.98 0.21 114.38 117.14 1tk0 h ARG 255 Ca 0.11 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1tk0 h ARG 255 Cb 0.03 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1tk0 h ARG 255 CO -0.02 -0.11 0.11 0.87 -1.51 0.00 0.00 179.97 179.32 1tk0 h LYS 256 N -0.17 0.57 -0.65 0.20 1.57 -1.16 -2.55 116.57 114.38 1tk0 h LYS 256 Ca 0.09 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1tk0 h LYS 256 Cb 0.29 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1tk0 h LYS 256 CO -0.22 0.59 0.13 -0.07 -0.57 0.00 0.00 179.45 179.31 1tk0 h LEU 257 N 0.44 1.00 -0.09 2.94 3.38 -0.59 -1.69 115.31 120.70 1tk0 h LEU 257 Ca 0.12 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1tk0 h LEU 257 Cb 0.26 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1tk0 h LEU 257 CO -0.00 0.98 0.00 0.35 0.09 0.00 0.00 178.44 179.85 1tk0 n THR 258 N -4.23 0.60 0.00 0.22 -2.24 0.70 0.06 114.28 109.39 1tk0 n THR 258 Ca 0.05 0.11 -0.20 0.00 -2.27 0.00 0.00 64.05 61.73 1tk0 n THR 258 Cb 0.27 -0.81 -0.14 0.00 -2.10 0.00 0.00 70.33 67.55 1tk0 n THR 258 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1tk0 h GLU 259 N 0.00 0.21 0.12 -0.78 4.22 -0.97 -3.36 114.58 114.02 1tk0 h GLU 259 Ca 0.00 -0.36 -0.01 0.00 0.08 0.00 0.00 59.36 59.08 1tk0 h GLU 259 Cb 0.40 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1tk0 h GLU 259 CO 0.00 1.17 -0.06 1.15 -2.18 0.00 0.00 179.01 179.09 1tk0 h THR 260 N -0.46 1.04 -3.32 0.32 2.02 -0.98 -3.39 112.91 108.13 1tk0 h THR 260 Ca -0.23 -0.77 -0.72 0.00 0.77 0.00 0.00 66.41 65.46 1tk0 h THR 260 Cb 1.60 1.52 -0.30 0.00 -1.74 0.00 0.00 68.15 69.24 1tk0 h THR 260 CO 0.05 0.18 -0.41 -0.36 0.37 0.00 0.00 175.52 175.35 1tk0 s PHE 261 N -4.66 3.43 0.93 3.16 0.08 0.11 -5.04 117.98 115.98 1tk0 s PHE 261 Ca -0.15 -1.88 -0.12 0.00 0.12 0.00 0.00 56.93 54.90 1tk0 s PHE 261 Cb 0.02 -3.43 0.15 0.00 -0.57 0.00 0.00 43.02 39.19 1tk0 s PHE 261 CO 0.61 -0.98 1.13 0.20 -0.10 0.00 0.00 175.22 176.08 1tk0 s GLY 262 N 2.57 1.57 1.02 4.36 0.00 -1.26 -4.42 107.32 111.16 1tk0 s GLY 262 Ca 0.06 -0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.16 1tk0 s GLY 262 CO -0.01 0.08 1.09 -1.35 0.00 0.00 0.00 173.10 172.91 1tk0 s SER 263 N -3.90 2.42 0.22 1.64 1.04 -1.26 -4.59 113.70 109.27 1tk0 s SER 263 Ca 0.64 1.22 -0.22 0.00 0.48 0.00 0.00 55.95 58.07 1tk0 s SER 263 Cb -0.16 -1.90 0.04 0.00 0.10 0.00 0.00 66.02 64.10 1tk0 s SER 263 CO 0.54 -3.26 0.75 -1.66 0.98 0.00 0.00 173.24 170.59 1tk0 s TRP 264 N -2.91 -0.25 -0.01 5.02 -2.14 -0.64 -5.00 118.94 113.01 1tk0 s TRP 264 Ca 0.66 -0.12 -0.00 0.00 2.66 0.00 0.00 56.10 59.30 1tk0 s TRP 264 Cb -0.19 0.66 -0.04 0.00 -3.10 0.00 0.00 33.47 30.80 1tk0 s TRP 264 CO 0.58 -1.06 0.06 0.71 -2.66 0.00 0.00 176.95 174.59 1tk0 s TYR 265 N -3.73 3.24 0.01 1.66 1.51 -1.26 -0.40 117.35 118.37 1tk0 s TYR 265 Ca 0.09 0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.36 1tk0 s TYR 265 Cb -0.04 -1.73 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1tk0 s TYR 265 CO 0.02 0.53 -0.07 -0.65 -1.11 0.00 0.00 175.55 174.27 1tk0 s GLN 266 N -1.62 0.50 0.33 -0.62 -0.21 -0.68 -4.96 119.66 112.40 1tk0 s GLN 266 Ca 0.21 -0.43 -0.29 0.00 0.02 0.00 0.00 55.36 54.88 1tk0 s GLN 266 Cb -0.12 -0.40 -0.10 0.00 1.00 0.00 0.00 33.01 33.39 1tk0 s GLN 266 CO 0.12 0.10 1.34 -1.25 -2.12 0.00 0.00 175.29 173.48 1tk0 s PRO 267 N -0.70 4.32 -0.27 2.91 0.04 -1.26 -0.36 135.00 139.68 1tk0 s PRO 267 Ca -0.02 2.27 -0.21 0.00 0.04 0.00 0.00 61.00 63.08 1tk0 s PRO 267 Cb -0.05 -3.06 0.07 0.00 0.04 0.00 0.00 34.50 31.50 1tk0 s PRO 267 CO 0.00 -0.25 0.69 0.21 0.04 0.00 0.00 177.00 177.69 1tk0 s LYS 268 N -1.66 0.76 0.00 4.56 2.47 0.06 -4.79 119.74 121.15 1tk0 s LYS 268 Ca 0.51 1.08 0.00 0.00 -1.56 0.00 0.00 55.97 55.99 1tk0 s LYS 268 Cb -0.41 0.28 0.00 0.00 -1.46 0.00 0.00 37.83 36.25 1tk0 s LYS 268 CO 0.53 -0.12 0.00 0.41 0.16 0.00 0.00 175.35 176.33 1tk0 n GLY 269 N 3.41 0.56 3.72 5.54 0.00 -1.26 -3.95 105.19 113.21 1tk0 n GLY 269 Ca -0.17 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 1tk0 n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tk0 s GLY 270 N -2.60 2.58 -0.21 -0.02 0.00 -1.26 -4.90 107.32 100.91 1tk0 s GLY 270 Ca 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 44.72 44.65 1tk0 s GLY 270 CO 0.00 1.09 -0.31 -1.30 0.00 0.00 0.00 173.10 172.58 1tk0 n THR 271 N 3.72 1.39 -1.91 0.90 -2.24 -0.97 -4.75 114.28 110.42 1tk0 n THR 271 Ca -0.03 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.27 1tk0 n THR 271 Cb 0.51 -2.00 0.04 0.00 -2.10 0.00 0.00 70.33 66.79 1tk0 n THR 271 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1tk0 s GLU 272 N -2.58 2.88 0.10 -0.78 2.02 -0.90 -4.81 118.70 114.62 1tk0 s GLU 272 Ca -0.31 1.66 -0.23 0.00 0.02 0.00 0.00 54.97 56.12 1tk0 s GLU 272 Cb 0.09 -1.94 -0.07 0.00 0.10 0.00 0.00 34.13 32.32 1tk0 s GLU 272 CO 0.41 -1.24 0.69 1.41 0.02 0.00 0.00 175.26 176.54 1tk0 s MET 273 N -3.60 4.41 -0.11 1.61 -2.45 -1.26 -0.61 119.30 117.28 1tk0 s MET 273 Ca 0.73 0.96 -0.24 0.00 -1.25 0.00 0.00 55.69 55.89 1tk0 s MET 273 Cb -0.26 -3.28 -0.03 0.00 1.25 0.00 0.00 34.83 32.51 1tk0 s MET 273 CO 0.36 0.53 0.75 0.12 1.05 0.00 0.00 175.02 177.82 1tk0 s PHE 274 N -0.85 3.50 0.01 4.11 5.36 -1.26 -4.78 117.98 124.07 1tk0 s PHE 274 Ca 0.33 1.23 0.08 0.00 -0.96 0.00 0.00 56.93 57.62 1tk0 s PHE 274 Cb -0.21 -2.89 -0.03 0.00 -0.34 0.00 0.00 43.02 39.56 1tk0 s PHE 274 CO 0.22 -0.06 -0.24 0.00 -1.46 0.00 0.00 175.22 173.69 1tk0 n HIS 276 N 2.06 2.16 0.14 0.00 -0.00 -0.09 -4.83 115.22 114.66 1tk0 n HIS 276 Ca -0.16 0.25 0.03 0.00 0.46 0.00 0.00 57.72 58.30 1tk0 n HIS 276 Cb 0.52 -2.55 0.40 0.00 -0.12 0.00 0.00 29.99 28.24 1tk0 n HIS 276 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1tk0 h PRO 277 N 7.04 0.18 0.00 1.57 0.11 -1.93 0.73 132.00 139.70 1tk0 h PRO 277 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1tk0 h PRO 277 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1tk0 h PRO 277 CO 0.90 0.35 0.00 -2.13 -0.21 0.00 0.00 178.00 176.91 1tk0 n ARG 278 N -4.27 0.00 -0.32 1.05 0.63 -1.26 -4.44 116.66 108.06 1tk0 n ARG 278 Ca -0.01 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.88 1tk0 n ARG 278 Cb 0.28 -0.55 0.09 0.00 0.45 0.00 0.00 32.46 32.73 1tk0 n ARG 278 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1tk0 h THR 279 N 0.00 1.26 0.00 5.15 2.02 -1.98 -3.46 112.91 115.90 1tk0 h THR 279 Ca 0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1tk0 h THR 279 Cb 0.00 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1tk0 h THR 279 CO 0.00 0.30 0.00 0.61 0.37 0.00 0.00 175.52 176.80 1tk0 n GLY 280 N -1.08 0.75 3.76 2.16 0.00 0.26 -4.99 105.19 106.05 1tk0 n GLY 280 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1tk0 n GLY 280 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tk0 s LYS 281 N -0.51 4.72 0.22 1.61 -2.85 -1.25 -4.49 119.74 117.19 1tk0 s LYS 281 Ca 0.00 1.59 -0.31 0.00 -1.00 0.00 0.00 55.97 56.25 1tk0 s LYS 281 Cb 0.00 -3.16 -0.11 0.00 -2.06 0.00 0.00 37.83 32.50 1tk0 s LYS 281 CO 0.00 0.35 1.62 -2.14 0.10 0.00 0.00 175.35 175.29 1tk0 s PRO 282 N -1.43 4.16 -0.81 1.78 0.02 -1.26 -0.92 135.00 136.54 1tk0 s PRO 282 Ca 0.44 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.97 1tk0 s PRO 282 Cb -0.27 -3.09 0.20 0.00 0.02 0.00 0.00 34.50 31.36 1tk0 s PRO 282 CO 0.34 -0.65 0.67 -0.51 -0.33 0.00 0.00 177.00 176.51 1tk0 s LEU 283 N 0.61 5.30 0.32 -5.54 1.43 0.98 -4.90 118.68 116.88 1tk0 s LEU 283 Ca 0.69 -3.68 0.23 0.00 -1.03 0.00 0.00 54.13 50.33 1tk0 s LEU 283 Cb -0.47 -1.82 1.16 0.00 0.03 0.00 0.00 46.19 45.09 1tk0 s LEU 283 CO 0.37 -0.17 1.69 -2.65 0.23 0.00 0.00 176.35 175.82 1tk0 n PRO 284 N 2.33 0.16 0.07 1.29 -0.02 -1.26 -2.03 135.00 135.54 1tk0 n PRO 284 Ca 0.20 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 1tk0 n PRO 284 Cb 0.36 -1.96 0.18 0.00 -0.02 0.00 0.00 33.50 32.07 1tk0 n PRO 284 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1tk0 h LYS 285 N 0.00 0.00 -6.73 -0.52 1.79 -1.94 -3.46 116.57 105.71 1tk0 h LYS 285 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 1tk0 h LYS 285 Cb 0.08 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1tk0 h LYS 285 CO 0.00 0.00 0.08 0.71 -1.08 0.00 0.00 179.45 179.16 1tk0 s TYR 286 N -3.18 3.41 0.58 -1.35 2.02 -0.86 -5.02 117.35 112.95 1tk0 s TYR 286 Ca 0.06 1.12 -0.19 0.00 -0.37 0.00 0.00 57.07 57.69 1tk0 s TYR 286 Cb 0.13 -2.47 -0.05 0.00 -0.40 0.00 0.00 41.96 39.17 1tk0 s TYR 286 CO 0.71 0.05 1.01 -2.30 -1.57 0.00 0.00 175.55 173.46 1tk0 n PRO 287 N -0.64 1.02 -2.15 -1.71 -0.02 -1.26 -4.77 135.00 125.47 1tk0 n PRO 287 Ca 0.03 0.39 -0.37 0.00 -2.02 0.00 0.00 63.50 61.53 1tk0 n PRO 287 Cb 0.53 -2.20 0.01 0.00 -0.02 0.00 0.00 33.50 31.82 1tk0 n PRO 287 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1tk0 s ARG 288 N -2.72 3.43 0.00 -0.52 1.81 -1.26 -4.45 118.95 115.25 1tk0 s ARG 288 Ca 0.74 1.81 0.00 0.00 -1.72 0.00 0.00 55.73 56.57 1tk0 s ARG 288 Cb -0.43 -2.21 0.00 0.00 -0.45 0.00 0.00 34.95 31.86 1tk0 s ARG 288 CO 0.48 -0.83 0.00 0.44 -0.68 0.00 0.00 175.30 174.71 1tk0 n ILE 289 N -0.95 0.00 -3.25 1.52 -5.35 0.22 -4.50 119.36 107.05 1tk0 n ILE 289 Ca 0.10 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.54 1tk0 n ILE 289 Cb 0.49 -0.39 -0.04 0.00 -1.74 0.00 0.00 39.64 37.96 1tk0 n ILE 289 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1tk0 s LYS 290 N -1.48 0.52 -0.31 6.28 2.36 -0.77 -2.12 119.74 124.21 1tk0 s LYS 290 Ca 0.00 0.15 -0.25 0.00 -2.55 0.00 0.00 55.97 53.32 1tk0 s LYS 290 Cb 0.00 -0.11 0.01 0.00 -1.05 0.00 0.00 37.83 36.68 1tk0 s LYS 290 CO 0.00 -1.07 0.88 0.99 1.55 0.00 0.00 175.35 177.70 1tk0 s THR 291 N 2.48 4.70 0.62 3.43 2.01 -1.26 -3.62 115.64 123.99 1tk0 s THR 291 Ca 0.11 1.36 -0.15 0.00 0.31 0.00 0.00 61.69 63.32 1tk0 s THR 291 Cb -0.11 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1tk0 s THR 291 CO -0.24 -0.33 1.06 -2.16 -0.69 0.00 0.00 174.62 172.25 1tk0 s PRO 292 N 3.19 3.22 -0.15 4.92 0.04 -1.26 -4.89 135.00 140.08 1tk0 s PRO 292 Ca 0.37 1.16 0.07 0.00 0.04 0.00 0.00 61.00 62.64 1tk0 s PRO 292 Cb -0.13 -2.02 -0.14 0.00 0.04 0.00 0.00 34.50 32.24 1tk0 s PRO 292 CO 0.14 -0.88 -0.04 1.63 0.04 0.00 0.00 177.00 177.88 1tk0 n LYS 293 N -2.26 1.20 -3.62 4.56 5.02 -1.26 -2.49 118.16 119.32 1tk0 n LYS 293 Ca 0.09 0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 56.04 1tk0 n LYS 293 Cb 0.53 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1tk0 n LYS 293 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1tk0 s VAL 294 N -2.34 5.25 0.00 -0.18 1.01 -1.26 -4.55 120.40 118.33 1tk0 s VAL 294 Ca -0.14 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1tk0 s VAL 294 Cb 0.05 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1tk0 s VAL 294 CO 0.49 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.74 1tk0 n GLY 295 N 2.31 4.32 3.83 4.51 0.00 -1.26 -3.88 105.19 115.01 1tk0 n GLY 295 Ca -0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 46.02 44.54 1tk0 n GLY 295 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tk0 s GLY 296 N 0.00 0.02 0.08 -0.02 0.00 -1.25 -1.75 107.32 104.39 1tk0 s GLY 296 Ca 0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 44.72 44.30 1tk0 s GLY 296 CO 0.00 1.29 1.57 -2.22 0.00 0.00 0.00 173.10 173.73 1tk0 h ILE 297 N 2.00 1.20 -1.65 0.90 5.03 -1.90 -3.41 117.51 119.67 1tk0 h ILE 297 Ca -0.27 -0.64 -0.56 0.00 -0.12 0.00 0.00 64.86 63.27 1tk0 h ILE 297 Cb 1.23 1.30 -0.08 0.00 -3.03 0.00 0.00 36.82 36.24 1tk0 h ILE 297 CO 0.33 0.20 -0.51 -0.36 -0.68 0.00 0.00 178.15 177.13 1tk0 s PHE 298 N -5.29 2.62 0.23 1.37 0.40 -1.26 -0.53 117.98 115.52 1tk0 s PHE 298 Ca -0.14 -0.54 -0.08 0.00 -0.60 0.00 0.00 56.93 55.56 1tk0 s PHE 298 Cb 0.07 -1.89 -0.07 0.00 0.51 0.00 0.00 43.02 41.64 1tk0 s PHE 298 CO 0.71 0.22 0.54 0.15 0.70 0.00 0.00 175.22 177.54 1tk0 s LYS 299 N -3.89 3.75 0.32 0.44 1.02 0.29 -4.48 119.74 117.19 1tk0 s LYS 299 Ca 0.40 0.20 -0.27 0.00 0.02 0.00 0.00 55.97 56.32 1tk0 s LYS 299 Cb 0.02 -2.66 -0.14 0.00 -0.52 0.00 0.00 37.83 34.54 1tk0 s LYS 299 CO 0.23 0.31 0.90 1.17 -0.92 0.00 0.00 175.35 177.03 1tk0 n LYS 300 N -0.27 1.11 -0.40 1.68 4.81 -1.26 -4.54 118.16 119.29 1tk0 n LYS 300 Ca -0.00 0.39 -0.21 0.00 -0.87 0.00 0.00 58.31 57.62 1tk0 n LYS 300 Cb 0.53 -1.74 0.20 0.00 0.02 0.00 0.00 35.03 34.03 1tk0 n LYS 300 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1tk0 n PRO 301 N 0.65 -3.29 0.00 1.64 -0.04 -1.26 -4.90 135.00 127.80 1tk0 n PRO 301 Ca 0.11 -0.98 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 1tk0 n PRO 301 Cb 0.33 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1tk0 n PRO 301 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1tk0 n GLU 308 N -3.24 0.00 -3.30 0.54 4.71 -1.26 -5.17 120.64 112.92 1tk0 n GLU 308 Ca 0.09 0.00 -0.45 0.00 -0.01 0.00 0.00 57.16 56.79 1tk0 n GLU 308 Cb 0.41 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.83 1tk0 n GLU 308 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1tk0 s GLY 309 N -2.00 3.00 0.00 0.62 0.00 -1.26 -4.27 107.32 103.41 1tk0 s GLY 309 Ca 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 44.72 41.07 1tk0 s GLY 309 CO 0.00 1.37 0.00 -0.96 0.00 0.00 0.00 173.10 173.51 1tk0 n ARG 310 N 3.32 0.00 -3.05 2.90 -4.01 -1.26 -5.06 116.66 109.50 1tk0 n ARG 310 Ca 0.22 0.00 0.02 0.00 -1.04 0.00 0.00 57.85 57.04 1tk0 n ARG 310 Cb 0.42 -2.00 -0.00 0.00 -3.04 0.00 0.00 32.46 27.84 1tk0 n ARG 310 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 1tk0 s GLU 311 N -3.03 0.56 0.00 2.89 2.12 -1.26 -5.12 118.70 114.86 1tk0 s GLU 311 Ca 0.00 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.18 1tk0 s GLU 311 Cb 0.00 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.47 1tk0 s GLU 311 CO 0.00 -0.83 0.00 -2.30 -0.54 0.00 0.00 175.26 171.59 1tk0 n PRO 312 N 4.22 0.00 -1.79 4.30 -0.02 -1.26 -4.38 135.00 136.06 1tk0 n PRO 312 Ca 0.09 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.16 1tk0 n PRO 312 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.08 1tk0 n PRO 312 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tk0 s GLU 314 N -2.24 4.16 0.38 0.00 2.02 -1.26 -4.79 118.70 116.96 1tk0 s GLU 314 Ca 0.56 2.52 -0.28 0.00 0.02 0.00 0.00 54.97 57.79 1tk0 s GLU 314 Cb -0.46 -3.31 -0.11 0.00 0.10 0.00 0.00 34.13 30.35 1tk0 s GLU 314 CO 0.61 -0.75 1.42 1.28 0.02 0.00 0.00 175.26 177.85 1tk0 n LEU 315 N 4.68 4.47 -4.53 1.80 4.77 -1.26 -0.55 117.00 126.39 1tk0 n LEU 315 Ca 0.16 1.21 -0.43 0.00 -0.03 0.00 0.00 56.01 56.92 1tk0 n LEU 315 Cb 0.37 -1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 39.85 1tk0 n LEU 315 CO 0.64 -0.06 0.86 -0.62 -1.33 0.00 0.00 177.39 176.87 1tk0 s ASP 316 N -0.22 6.32 0.00 -1.43 3.68 0.30 -4.57 116.67 120.75 1tk0 s ASP 316 Ca 0.55 -0.35 0.00 0.00 2.13 0.00 0.00 52.55 54.88 1tk0 s ASP 316 Cb -0.50 -2.47 0.00 0.00 -1.45 0.00 0.00 42.92 38.50 1tk0 s ASP 316 CO 0.63 -1.36 0.87 0.41 0.13 0.00 0.00 175.17 175.85 1tk0 n THR 317 N 6.27 1.50 -1.61 1.71 -1.04 -1.26 -4.75 114.28 115.11 1tk0 n THR 317 Ca 0.02 0.38 -0.43 0.00 -2.04 0.00 0.00 64.05 61.99 1tk0 n THR 317 Cb 0.48 -1.38 -0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1tk0 n THR 317 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1tk0 n ARG 318 N -1.37 1.45 0.07 -2.82 1.74 -1.26 -4.89 116.66 109.57 1tk0 n ARG 318 Ca 0.00 0.51 0.13 0.00 -0.77 0.00 0.00 57.85 57.72 1tk0 n ARG 318 Cb 0.00 -1.99 0.41 0.00 -1.02 0.00 0.00 32.46 29.87 1tk0 n ARG 318 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1tk0 n GLU 319 N 0.47 0.19 -4.45 5.56 2.13 -1.26 -4.90 120.64 118.37 1tk0 n GLU 319 Ca 0.09 0.13 -0.28 0.00 0.66 0.00 0.00 57.16 57.75 1tk0 n GLU 319 Cb 0.36 -1.69 -0.08 0.00 0.27 0.00 0.00 31.44 30.29 1tk0 n GLU 319 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1tk0 s TYR 320 N -3.08 2.28 -0.17 4.31 2.02 -1.26 -5.14 117.35 116.31 1tk0 s TYR 320 Ca 0.11 -0.74 -0.04 0.00 -0.37 0.00 0.00 57.07 56.02 1tk0 s TYR 320 Cb 0.14 -1.80 0.08 0.00 -0.40 0.00 0.00 41.96 39.99 1tk0 s TYR 320 CO 0.61 0.22 0.24 0.08 -1.57 0.00 0.00 175.55 175.13 1tk0 s VAL 321 N -2.73 -0.37 0.05 0.71 1.01 -1.26 -3.79 120.40 114.03 1tk0 s VAL 321 Ca 0.29 0.08 -0.37 0.00 0.00 0.00 0.00 61.98 61.97 1tk0 s VAL 321 Cb 0.05 -0.56 -0.17 0.00 0.00 0.00 0.00 36.38 35.70 1tk0 s VAL 321 CO 0.15 -0.05 1.35 0.00 0.00 0.00 0.00 175.10 176.56 1tk0 n ALA 322 N 5.33 -1.12 0.00 5.51 0.00 -0.72 -1.79 120.51 127.73 1tk0 n ALA 322 Ca -0.05 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1tk0 n ALA 322 Cb 0.50 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1tk0 n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tk0 n GLY 323 N 2.56 3.08 3.59 0.00 0.00 -1.04 -4.97 105.19 108.42 1tk0 n GLY 323 Ca 0.19 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1tk0 n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk0 s ALA 324 N -0.30 2.96 0.54 4.61 0.00 -0.74 -4.89 121.76 123.93 1tk0 s ALA 324 Ca 0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 1tk0 s ALA 324 Cb 0.00 -4.01 -0.06 0.00 0.00 0.00 0.00 23.12 19.05 1tk0 s ALA 324 CO 0.00 -2.62 1.03 -1.25 0.00 0.00 0.00 175.76 172.92 1tk0 s PRO 325 N 5.12 3.63 0.16 0.00 0.04 -1.26 -4.46 135.00 138.22 1tk0 s PRO 325 Ca 0.55 1.21 -0.08 0.00 0.04 0.00 0.00 61.00 62.72 1tk0 s PRO 325 Cb -0.11 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1tk0 s PRO 325 CO 0.29 -0.56 0.25 1.52 0.04 0.00 0.00 177.00 178.54 1tk0 s TYR 326 N -2.32 0.46 -0.32 0.56 1.13 -1.24 -4.98 117.35 110.64 1tk0 s TYR 326 Ca 0.64 -0.82 -0.08 0.00 -1.41 0.00 0.00 57.07 55.40 1tk0 s TYR 326 Cb -0.15 -0.11 0.02 0.00 -1.10 0.00 0.00 41.96 40.62 1tk0 s TYR 326 CO 0.29 -0.69 0.12 0.99 -2.51 0.00 0.00 175.55 173.75 1tk0 s THR 327 N -3.98 4.09 0.31 -3.49 2.01 -1.26 -1.84 115.64 111.48 1tk0 s THR 327 Ca 0.18 -0.82 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 1tk0 s THR 327 Cb 0.04 -3.19 -0.11 0.00 0.01 0.00 0.00 72.50 69.25 1tk0 s THR 327 CO 0.00 -0.05 1.50 -2.84 -0.69 0.00 0.00 174.62 172.55 1tk0 s PRO 328 N 1.49 4.17 0.05 4.92 0.02 -1.26 -4.94 135.00 139.45 1tk0 s PRO 328 Ca 0.02 2.49 -0.01 0.00 0.02 0.00 0.00 61.00 63.51 1tk0 s PRO 328 Cb -0.18 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1tk0 s PRO 328 CO 0.04 -0.52 -0.03 0.14 -0.33 0.00 0.00 177.00 176.30 1tk0 s VAL 329 N -0.44 0.20 0.10 3.83 -7.23 -1.25 -0.76 120.40 114.85 1tk0 s VAL 329 Ca 0.58 -1.68 0.09 0.00 -1.81 0.00 0.00 61.98 59.17 1tk0 s VAL 329 Cb -0.45 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 1tk0 s VAL 329 CO 0.52 -0.93 -0.24 -1.83 -0.31 0.00 0.00 175.10 172.31 1tk0 s GLU 330 N -3.56 1.39 -0.15 4.82 -1.05 0.51 -4.77 118.70 115.89 1tk0 s GLU 330 Ca 0.04 -1.21 -0.18 0.00 -0.15 0.00 0.00 54.97 53.47 1tk0 s GLU 330 Cb 0.05 -1.73 -0.04 0.00 -0.44 0.00 0.00 34.13 31.98 1tk0 s GLU 330 CO -0.09 0.42 0.50 -1.58 0.95 0.00 0.00 175.26 175.46 1tk0 s HIS 331 N -1.01 3.45 -0.05 4.83 5.65 -1.26 -1.69 115.29 125.21 1tk0 s HIS 331 Ca 0.11 0.84 0.05 0.00 0.25 0.00 0.00 55.06 56.31 1tk0 s HIS 331 Cb -0.10 -2.61 -0.01 0.00 -1.18 0.00 0.00 32.58 28.69 1tk0 s HIS 331 CO 0.04 0.05 -0.22 0.54 -0.65 0.00 0.00 174.74 174.50 1tk0 s VAL 332 N 1.07 1.79 -0.08 0.89 0.11 0.46 -4.99 120.40 119.66 1tk0 s VAL 332 Ca 0.25 -0.92 -0.11 0.00 -2.93 0.00 0.00 61.98 58.27 1tk0 s VAL 332 Cb -0.15 -1.52 -0.05 0.00 -1.53 0.00 0.00 36.38 33.13 1tk0 s VAL 332 CO 0.10 0.50 0.28 -0.69 -3.33 0.00 0.00 175.10 171.96 1tk0 s VAL 333 N -0.10 5.27 0.03 2.04 1.01 -1.26 -1.61 120.40 125.77 1tk0 s VAL 333 Ca -0.03 0.53 -0.36 0.00 0.00 0.00 0.00 61.98 62.12 1tk0 s VAL 333 Cb -0.13 -3.57 -0.15 0.00 0.00 0.00 0.00 36.38 32.54 1tk0 s VAL 333 CO 0.03 0.56 1.57 0.33 0.00 0.00 0.00 175.10 177.59 1tk0 n PHE 334 N 2.19 1.99 -3.98 5.22 7.35 -1.26 -4.95 117.46 124.02 1tk0 n PHE 334 Ca -0.16 0.39 -0.33 0.00 -0.76 0.00 0.00 57.45 56.59 1tk0 n PHE 334 Cb 0.53 -2.48 -0.14 0.00 0.35 0.00 0.00 39.48 37.74 1tk0 n PHE 334 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1tk0 s ASN 335 N 1.69 4.75 0.45 -2.13 3.84 -1.26 -4.88 114.94 117.40 1tk0 s ASN 335 Ca 0.86 -1.62 0.25 0.00 0.21 0.00 0.00 52.86 52.56 1tk0 s ASN 335 Cb -0.84 -1.65 1.35 0.00 -0.55 0.00 0.00 41.25 39.56 1tk0 s ASN 335 CO 0.47 -0.30 1.73 -0.65 -2.79 0.00 0.00 177.10 175.57 1tk0 h PRO 336 N 7.83 0.00 0.00 0.43 0.11 -1.98 0.76 132.00 139.15 1tk0 h PRO 336 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1tk0 h PRO 336 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1tk0 h PRO 336 CO 0.52 0.00 -0.41 0.43 -0.21 0.00 0.00 178.00 178.33 1tk0 n SER 337 N -2.46 0.62 -4.59 -2.05 7.64 -1.26 -4.78 113.62 106.74 1tk0 n SER 337 Ca -0.02 0.19 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 1tk0 n SER 337 Cb 0.18 -0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 1tk0 n SER 337 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1tk0 s SER 338 N -3.95 6.55 0.44 6.43 0.15 0.26 -4.91 113.70 118.67 1tk0 s SER 338 Ca 0.09 0.39 0.18 0.00 0.70 0.00 0.00 55.95 57.31 1tk0 s SER 338 Cb 0.14 -2.38 1.04 0.00 -1.71 0.00 0.00 66.02 63.11 1tk0 s SER 338 CO 0.67 -0.66 1.96 0.03 1.20 0.00 0.00 173.24 176.44 1tk0 h ARG 339 N 8.37 0.00 0.09 5.44 2.47 -1.86 -1.73 114.38 127.16 1tk0 h ARG 339 Ca -0.25 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1tk0 h ARG 339 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1tk0 h ARG 339 CO 0.88 0.23 -0.04 0.22 0.56 0.00 0.00 179.97 181.82 1tk0 h ASP 340 N 0.00 -0.10 -0.09 7.04 3.58 -1.94 -0.67 116.42 124.24 1tk0 h ASP 340 Ca -0.00 -0.30 0.03 0.00 0.42 0.00 0.00 57.03 57.18 1tk0 h ASP 340 Cb 0.44 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1tk0 h ASP 340 CO 0.03 0.26 -0.11 0.45 -2.88 0.00 0.00 179.24 176.99 1tk0 h HIS 341 N -0.48 -0.27 -0.86 0.28 3.86 -1.77 0.67 115.15 116.59 1tk0 h HIS 341 Ca -0.01 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 1tk0 h HIS 341 Cb 0.40 0.13 -0.07 0.00 1.06 0.00 0.00 27.41 28.93 1tk0 h HIS 341 CO 0.04 -0.16 0.51 0.82 0.86 0.00 0.00 177.93 180.00 1tk0 h ILE 342 N -0.14 0.96 -0.16 2.45 2.04 -1.31 -1.15 117.51 120.20 1tk0 h ILE 342 Ca 0.07 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1tk0 h ILE 342 Cb 0.24 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1tk0 h ILE 342 CO -0.18 0.16 0.10 -0.61 0.00 0.00 0.00 178.15 177.62 1tk0 h GLN 343 N 0.87 0.21 0.34 2.37 -0.00 -0.22 -1.74 115.11 116.95 1tk0 h GLN 343 Ca 0.40 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 59.02 1tk0 h GLN 343 Cb 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 1tk0 h GLN 343 CO -0.22 0.17 -0.20 -0.22 0.00 0.00 0.00 178.83 178.36 1tk0 h LYS 344 N 0.19 -0.50 -0.76 1.69 3.64 -0.15 -2.28 116.57 118.39 1tk0 h LYS 344 Ca 0.06 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1tk0 h LYS 344 Cb 0.02 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1tk0 h LYS 344 CO -0.01 -0.33 0.35 0.87 -2.27 0.00 0.00 179.45 178.05 1tk0 h LYS 345 N -0.52 1.11 -0.33 1.90 1.79 -1.23 -2.11 116.57 117.18 1tk0 h LYS 345 Ca -0.04 -0.17 -0.15 0.00 -2.18 0.00 0.00 60.65 58.11 1tk0 h LYS 345 Cb 0.43 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1tk0 h LYS 345 CO 0.04 0.88 -0.39 -0.07 -1.08 0.00 0.00 179.45 178.83 1tk0 h LEU 346 N 1.08 0.84 -0.82 2.94 3.38 -1.28 -2.47 115.31 118.97 1tk0 h LEU 346 Ca 0.26 -0.38 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1tk0 h LEU 346 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1tk0 h LEU 346 CO -0.03 1.13 -0.47 1.56 0.09 0.00 0.00 178.44 180.72 1tk0 h GLN 347 N 0.65 0.28 0.00 1.13 4.20 -1.36 -0.90 115.11 119.11 1tk0 h GLN 347 Ca 0.05 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1tk0 h GLN 347 Cb 0.95 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1tk0 h GLN 347 CO 0.09 0.70 0.00 0.39 -0.67 0.00 0.00 178.83 179.33 1tk0 n GLU 348 N -3.98 0.06 -0.34 1.46 1.02 -0.80 -0.78 120.64 117.28 1tk0 n GLU 348 Ca -0.02 0.36 0.10 0.00 -0.02 0.00 0.00 57.16 57.58 1tk0 n GLU 348 Cb 0.52 -1.63 0.28 0.00 -0.02 0.00 0.00 31.44 30.59 1tk0 n GLU 348 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tk0 n ALA 349 N -1.59 2.39 -0.18 0.62 0.00 -0.45 -4.94 120.51 116.36 1tk0 n ALA 349 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1tk0 n ALA 349 Cb 0.15 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1tk0 n ALA 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tk0 n GLY 350 N 1.24 0.74 3.74 0.00 0.00 0.04 -4.26 105.19 106.69 1tk0 n GLY 350 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1tk0 n GLY 350 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1tk0 s TRP 351 N -2.19 3.43 -0.52 1.61 -0.00 -0.58 -4.98 118.94 115.71 1tk0 s TRP 351 Ca 0.00 1.42 -0.07 0.00 -0.00 0.00 0.00 56.10 57.45 1tk0 s TRP 351 Cb 0.00 -3.43 0.13 0.00 -0.00 0.00 0.00 33.47 30.18 1tk0 s TRP 351 CO 0.00 -1.20 0.37 0.08 -0.00 0.00 0.00 176.95 176.20 1tk0 s VAL 352 N 0.03 3.99 0.15 5.86 1.01 -1.26 -4.38 120.40 125.80 1tk0 s VAL 352 Ca 0.53 -2.17 -0.34 0.00 0.00 0.00 0.00 61.98 60.00 1tk0 s VAL 352 Cb -0.32 -3.63 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 1tk0 s VAL 352 CO 0.36 -0.80 1.50 -2.65 0.00 0.00 0.00 175.10 173.51 1tk0 n PRO 353 N 4.45 1.89 -0.07 2.72 -0.02 -1.26 -4.92 135.00 137.78 1tk0 n PRO 353 Ca -0.01 0.68 -0.06 0.00 -2.02 0.00 0.00 63.50 62.09 1tk0 n PRO 353 Cb 0.41 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 1tk0 n PRO 353 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1tk0 n THR 354 N 3.07 1.34 -4.00 3.45 -1.04 -1.26 -4.96 114.28 110.88 1tk0 n THR 354 Ca 0.17 0.21 -0.36 0.00 -2.04 0.00 0.00 64.05 62.03 1tk0 n THR 354 Cb 0.27 -2.31 -0.08 0.00 -1.82 0.00 0.00 70.33 66.39 1tk0 n THR 354 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1tk0 s LYS 355 N -2.39 3.51 0.42 -2.82 -2.85 -1.26 -5.07 119.74 109.28 1tk0 s LYS 355 Ca -0.19 -0.24 0.01 0.00 -1.00 0.00 0.00 55.97 54.55 1tk0 s LYS 355 Cb 0.03 -3.13 0.01 0.00 -2.06 0.00 0.00 37.83 32.68 1tk0 s LYS 355 CO 0.28 0.62 0.10 0.66 0.10 0.00 0.00 175.35 177.11 1tk0 n TYR 356 N 2.46 0.45 -3.68 1.78 4.02 -1.26 -1.62 117.16 119.32 1tk0 n TYR 356 Ca -0.19 -2.00 -0.21 0.00 -0.01 0.00 0.00 57.90 55.50 1tk0 n TYR 356 Cb 0.54 -0.30 -0.03 0.00 -0.02 0.00 0.00 39.34 39.53 1tk0 n TYR 356 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1tk0 s THR 357 N -2.41 3.39 -0.67 -0.72 -4.23 0.29 -4.66 115.64 106.61 1tk0 s THR 357 Ca 0.07 -1.30 -0.06 0.00 -1.18 0.00 0.00 61.69 59.23 1tk0 s THR 357 Cb -0.01 -3.16 -0.11 0.00 1.34 0.00 0.00 72.50 70.56 1tk0 s THR 357 CO 0.05 -0.13 2.43 0.47 -0.54 0.00 0.00 174.62 176.90 1tk0 n ASP 358 N -1.47 4.98 0.00 3.99 8.00 -1.26 -1.18 116.55 129.61 1tk0 n ASP 358 Ca 0.00 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.20 1tk0 n ASP 358 Cb 0.60 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1tk0 n ASP 358 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1tk0 n LYS 359 N 3.52 0.00 -0.83 -1.24 4.81 -1.26 -5.01 118.16 118.15 1tk0 n LYS 359 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1tk0 n LYS 359 Cb 0.33 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.38 1tk0 n LYS 359 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tk0 n GLY 360 N 0.00 0.59 3.85 3.14 0.00 -0.32 -5.05 105.19 107.40 1tk0 n GLY 360 Ca 0.00 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1tk0 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk0 s ALA 361 N -2.00 3.83 0.27 4.61 0.00 -1.26 -4.81 121.76 122.40 1tk0 s ALA 361 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 1tk0 s ALA 361 Cb 0.00 -2.04 -0.10 0.00 0.00 0.00 0.00 23.12 20.98 1tk0 s ALA 361 CO 0.00 0.54 1.27 -1.25 0.00 0.00 0.00 175.76 176.32 1tk0 s PRO 362 N -0.83 4.42 0.22 0.00 0.04 -1.26 0.10 135.00 137.69 1tk0 s PRO 362 Ca 0.15 2.08 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 1tk0 s PRO 362 Cb -0.12 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.18 1tk0 s PRO 362 CO 0.04 -0.15 1.41 0.08 0.04 0.00 0.00 177.00 178.42 1tk0 s VAL 363 N -0.62 2.84 -0.44 -0.36 1.01 -0.64 -4.82 120.40 117.38 1tk0 s VAL 363 Ca 0.51 0.69 0.10 0.00 0.00 0.00 0.00 61.98 63.28 1tk0 s VAL 363 Cb -0.37 -3.44 0.35 0.00 0.00 0.00 0.00 36.38 32.91 1tk0 s VAL 363 CO 0.45 0.10 0.80 0.52 0.00 0.00 0.00 175.10 176.97 1tk0 n VAL 364 N 2.57 0.86 -3.13 2.92 0.31 -1.26 -4.91 118.33 115.69 1tk0 n VAL 364 Ca 0.07 -4.91 -0.09 0.00 -0.01 0.00 0.00 64.34 59.40 1tk0 n VAL 364 Cb 0.41 -0.63 0.02 0.00 -0.91 0.00 0.00 33.84 32.74 1tk0 n VAL 364 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1tk0 n ASP 365 N 0.12 1.08 0.19 4.52 5.68 -1.26 -4.94 116.55 121.94 1tk0 n ASP 365 Ca 0.27 -1.71 0.03 0.00 -0.50 0.00 0.00 54.79 52.89 1tk0 n ASP 365 Cb 0.57 -0.16 0.39 0.00 -1.14 0.00 0.00 41.12 40.78 1tk0 n ASP 365 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1tk0 h ASP 366 N 0.09 0.00 0.12 -1.12 3.58 -1.99 -2.50 116.42 114.59 1tk0 h ASP 366 Ca -0.13 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1tk0 h ASP 366 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1tk0 h ASP 366 CO 0.18 0.34 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.50 1tk0 h GLU 367 N 0.00 -0.15 -0.17 0.28 5.08 -1.99 -1.94 114.58 115.69 1tk0 h GLU 367 Ca -0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1tk0 h GLU 367 Cb 0.63 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1tk0 h GLU 367 CO 0.04 0.02 -0.01 -0.39 -1.00 0.00 0.00 179.01 177.68 1tk0 h VAL 368 N -0.30 1.26 -0.58 3.13 -1.51 -1.90 -2.89 116.25 113.46 1tk0 h VAL 368 Ca -0.02 -0.90 0.11 0.00 -1.23 0.00 0.00 66.70 64.67 1tk0 h VAL 368 Cb 0.25 1.53 -0.09 0.00 -2.13 0.00 0.00 31.29 30.84 1tk0 h VAL 368 CO 0.03 0.27 0.07 -0.07 -1.23 0.00 0.00 177.57 176.63 1tk0 h LEU 369 N 0.03 -0.12 -2.54 4.19 3.38 -1.46 0.44 115.31 119.24 1tk0 h LEU 369 Ca 0.05 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1tk0 h LEU 369 Cb 0.41 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1tk0 h LEU 369 CO 0.01 -0.04 -0.01 -0.08 0.09 0.00 0.00 178.44 178.41 1tk0 h GLU 370 N 0.19 0.00 -0.01 1.13 4.57 -1.26 -2.29 114.58 116.90 1tk0 h GLU 370 Ca 0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1tk0 h GLU 370 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1tk0 h GLU 370 CO -0.44 0.01 -0.66 0.41 -1.18 0.00 0.00 179.01 177.15 1tk0 n GLY 371 N -1.20 -0.35 3.77 1.92 0.00 0.13 -4.98 105.19 104.48 1tk0 n GLY 371 Ca -0.03 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1tk0 n GLY 371 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tk0 s VAL 372 N -2.60 2.53 -0.05 1.61 1.01 0.28 -5.02 120.40 118.16 1tk0 s VAL 372 Ca 0.14 0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 1tk0 s VAL 372 Cb 0.16 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 33.28 1tk0 s VAL 372 CO 0.66 0.08 0.05 -0.13 0.00 0.00 0.00 175.10 175.76 1tk0 s ARG 373 N -2.18 0.04 0.18 2.72 1.81 -1.26 -5.04 118.95 115.21 1tk0 s ARG 373 Ca 0.56 0.32 0.09 0.00 -1.72 0.00 0.00 55.73 54.97 1tk0 s ARG 373 Cb -0.40 -0.64 -0.04 0.00 -0.45 0.00 0.00 34.95 33.42 1tk0 s ARG 373 CO 0.51 -0.34 -0.18 0.14 -0.68 0.00 0.00 175.30 174.75 1tk0 s VAL 374 N 2.14 1.88 0.06 3.52 -7.23 -1.26 -4.65 120.40 114.85 1tk0 s VAL 374 Ca 0.05 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.03 1tk0 s VAL 374 Cb -0.12 -1.92 -0.12 0.00 0.56 0.00 0.00 36.38 34.78 1tk0 s VAL 374 CO -0.04 -0.35 1.40 0.44 -0.31 0.00 0.00 175.10 176.24 1tk0 h ASP 375 N 3.07 0.48 -2.51 4.85 3.32 -1.96 -3.43 116.42 120.25 1tk0 h ASP 375 Ca -0.42 -0.44 -0.58 0.00 0.02 0.00 0.00 57.03 55.61 1tk0 h ASP 375 Cb 1.21 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1tk0 h ASP 375 CO 0.53 0.82 1.31 -0.62 -1.72 0.00 0.00 179.24 179.56 1tk0 s ASP 376 N -6.19 5.87 0.59 6.45 2.15 -1.26 -4.86 116.67 119.42 1tk0 s ASP 376 Ca -0.14 1.54 0.28 0.00 0.43 0.00 0.00 52.55 54.67 1tk0 s ASP 376 Cb 0.06 -2.52 1.55 0.00 -0.30 0.00 0.00 42.92 41.72 1tk0 s ASP 376 CO 0.77 -1.68 1.99 1.55 -0.17 0.00 0.00 175.17 177.63 1tk0 h PRO 377 N 13.02 0.00 -0.00 4.34 0.13 -1.98 -0.29 132.00 147.22 1tk0 h PRO 377 Ca -0.36 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1tk0 h PRO 377 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1tk0 h PRO 377 CO 1.01 0.00 -0.01 1.49 -0.23 0.00 0.00 178.00 180.26 1tk0 h GLU 378 N 0.00 0.01 -0.36 0.86 4.81 -1.96 -1.99 114.58 115.94 1tk0 h GLU 378 Ca 0.15 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1tk0 h GLU 378 Cb 0.85 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 1tk0 h GLU 378 CO -0.00 0.65 -0.09 0.87 -0.73 0.00 0.00 179.01 179.70 1tk0 h LYS 379 N -0.63 0.62 -0.54 1.92 1.57 -1.83 0.43 116.57 118.10 1tk0 h LYS 379 Ca -0.00 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1tk0 h LYS 379 Cb 0.65 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1tk0 h LYS 379 CO 0.00 0.70 0.36 0.37 -0.57 0.00 0.00 179.45 180.32 1tk0 h GLN 380 N 0.57 0.64 0.00 3.15 5.75 -1.05 -0.97 115.11 123.20 1tk0 h GLN 380 Ca 0.11 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.44 1tk0 h GLN 380 Cb 0.50 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1tk0 h GLN 380 CO 0.03 0.42 -0.67 0.00 -2.65 0.00 0.00 178.83 175.96 1tk0 h ALA 381 N 1.68 0.63 0.00 3.38 0.00 -0.46 -3.22 119.26 121.27 1tk0 h ALA 381 Ca 0.21 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1tk0 h ALA 381 Cb 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1tk0 h ALA 381 CO -0.05 0.74 -0.05 0.00 0.00 0.00 0.00 179.25 179.89 1tk0 h ALA 382 N 1.43 1.03 -0.12 0.00 0.00 0.43 -2.52 119.26 119.50 1tk0 h ALA 382 Ca -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1tk0 h ALA 382 Cb 1.46 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1tk0 h ALA 382 CO 0.07 0.06 -0.16 0.82 0.00 0.00 0.00 179.25 180.04 1tk0 h ILE 383 N 0.00 1.18 0.00 0.00 2.04 -1.49 -0.55 117.51 118.69 1tk0 h ILE 383 Ca -0.00 -0.81 -0.21 0.00 1.00 0.00 0.00 64.86 64.84 1tk0 h ILE 383 Cb 0.49 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1tk0 h ILE 383 CO 0.01 0.25 -0.90 0.44 0.00 0.00 0.00 178.15 177.94 1tk0 h ASP 384 N 0.19 0.38 0.00 1.72 3.32 -1.64 -2.45 116.42 117.94 1tk0 h ASP 384 Ca 0.04 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 1tk0 h ASP 384 Cb 0.39 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1tk0 h ASP 384 CO 0.02 1.10 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.37 1tk0 h LEU 385 N 0.16 0.35 -0.28 1.55 3.38 -1.37 -1.89 115.31 117.21 1tk0 h LEU 385 Ca -0.06 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1tk0 h LEU 385 Cb 1.54 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 1tk0 h LEU 385 CO 0.15 0.57 -0.30 0.40 0.09 0.00 0.00 178.44 179.35 1tk0 h ILE 386 N 0.32 1.30 0.09 1.22 2.04 -1.04 -0.03 117.51 121.41 1tk0 h ILE 386 Ca 0.06 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.46 1tk0 h ILE 386 Cb 0.55 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1tk0 h ILE 386 CO 0.04 0.47 -0.17 0.11 0.00 0.00 0.00 178.15 178.59 1tk0 h LYS 387 N 0.44 -0.32 -0.34 2.37 1.79 -1.13 -1.00 116.57 118.38 1tk0 h LYS 387 Ca 0.04 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.57 1tk0 h LYS 387 Cb 0.87 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.55 1tk0 h LYS 387 CO 0.07 -0.21 0.12 1.49 -1.08 0.00 0.00 179.45 179.85 1tk0 h GLU 388 N -0.33 0.27 -0.52 3.15 4.81 -1.31 -2.31 114.58 118.33 1tk0 h GLU 388 Ca 0.03 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1tk0 h GLU 388 Cb 0.35 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 1tk0 h GLU 388 CO -0.10 0.18 0.21 -0.92 -0.73 0.00 0.00 179.01 177.65 1tk0 h TYR 389 N 0.27 0.38 -0.64 0.92 5.03 -0.58 0.14 116.97 122.49 1tk0 h TYR 389 Ca 0.15 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.45 1tk0 h TYR 389 Cb 0.12 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 1tk0 h TYR 389 CO -0.14 0.14 0.26 -0.07 -1.32 0.00 0.00 178.16 177.04 1tk0 h LEU 390 N 0.41 0.88 -0.55 2.82 3.38 -0.90 -0.87 115.31 120.49 1tk0 h LEU 390 Ca 0.25 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1tk0 h LEU 390 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1tk0 h LEU 390 CO -0.22 0.81 0.17 -0.03 0.09 0.00 0.00 178.44 179.25 1tk0 h MET 391 N 0.90 0.86 -0.96 1.13 4.05 -0.83 -1.56 114.93 118.52 1tk0 h MET 391 Ca 0.21 -0.19 0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1tk0 h MET 391 Cb 0.20 -0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 30.82 1tk0 h MET 391 CO -0.02 0.79 0.63 0.82 0.23 0.00 0.00 176.91 179.36 1tk0 h ILE 392 N 0.77 1.16 -0.59 1.77 1.08 -0.34 -1.89 117.51 119.46 1tk0 h ILE 392 Ca 0.18 -0.41 -0.08 0.00 -0.39 0.00 0.00 64.86 64.15 1tk0 h ILE 392 Cb 0.29 -0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 33.88 1tk0 h ILE 392 CO -0.00 0.22 0.05 1.56 -0.69 0.00 0.00 178.15 179.28 1tk0 h GLN 393 N 1.20 1.01 -0.62 2.37 1.08 -0.68 -0.37 115.11 119.09 1tk0 h GLN 393 Ca 0.38 -0.30 0.06 0.00 -1.45 0.00 0.00 58.65 57.34 1tk0 h GLN 393 Cb 0.02 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.30 1tk0 h GLN 393 CO -0.12 0.98 0.34 -0.22 -0.95 0.00 0.00 178.83 178.86 1tk0 h LYS 394 N 0.91 0.61 -0.29 1.46 1.63 -0.55 0.33 116.57 120.67 1tk0 h LYS 394 Ca 0.17 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.83 1tk0 h LYS 394 Cb 0.49 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1tk0 h LYS 394 CO 0.02 0.41 -0.24 0.00 -3.45 0.00 0.00 179.45 176.18 1tk0 h ARG 395 N 0.63 0.68 -0.22 1.90 2.47 -1.04 -2.35 114.38 116.45 1tk0 h ARG 395 Ca 0.28 -0.34 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 1tk0 h ARG 395 Cb 0.18 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 1tk0 h ARG 395 CO -0.18 0.95 0.06 0.82 0.56 0.00 0.00 179.97 182.18 1tk0 h ILE 396 N 0.42 1.20 -0.35 2.04 2.04 -0.71 -0.84 117.51 121.32 1tk0 h ILE 396 Ca 0.05 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.30 1tk0 h ILE 396 Cb 0.80 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1tk0 h ILE 396 CO 0.06 0.20 0.13 1.23 0.00 0.00 0.00 178.15 179.78 1tk0 h GLY 397 N 0.17 0.44 1.48 5.37 0.00 -0.36 0.34 103.07 110.52 1tk0 h GLY 397 Ca 0.07 -0.08 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 1tk0 h GLY 397 CO -0.00 0.04 -0.51 -1.61 0.00 0.00 0.00 176.54 174.46 1tk0 h GLN 398 N 0.28 0.55 0.08 4.80 4.15 -1.36 0.32 115.11 123.94 1tk0 h GLN 398 Ca 0.15 -0.33 -0.34 0.00 0.77 0.00 0.00 58.65 58.91 1tk0 h GLN 398 Cb 0.12 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1tk0 h GLN 398 CO -0.15 0.93 -1.86 0.66 -1.93 0.00 0.00 178.83 176.48 1tk0 h SER 399 N 0.44 0.27 0.00 -0.69 4.64 -0.98 -2.57 113.55 114.66 1tk0 h SER 399 Ca 0.02 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1tk0 h SER 399 Cb 1.04 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1tk0 h SER 399 CO 0.10 1.53 -0.39 0.00 -0.87 0.00 0.00 176.83 177.19 1tk0 n ALA 400 N -2.82 1.99 -0.02 5.18 0.00 0.11 -1.88 120.51 123.08 1tk0 n ALA 400 Ca -0.25 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.23 1tk0 n ALA 400 Cb 1.05 0.20 -0.14 0.00 0.00 0.00 0.00 19.45 20.56 1tk0 n ALA 400 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tk0 n GLU 401 N -1.88 0.66 -0.55 0.00 1.02 -0.43 -4.73 120.64 114.72 1tk0 n GLU 401 Ca 0.00 -0.07 -0.29 0.00 -0.02 0.00 0.00 57.16 56.78 1tk0 n GLU 401 Cb 0.20 -1.59 0.22 0.00 -0.02 0.00 0.00 31.44 30.25 1tk0 n GLU 401 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1tk0 s GLY 402 N -4.78 1.60 0.43 0.62 0.00 0.11 -4.87 107.32 100.43 1tk0 s GLY 402 Ca -0.07 0.20 0.16 0.00 0.00 0.00 0.00 44.72 45.01 1tk0 s GLY 402 CO 0.87 0.80 1.93 -0.55 0.00 0.00 0.00 173.10 176.15 1tk0 h ASP 403 N -2.39 0.00 -0.40 1.64 5.19 -1.94 -2.49 116.42 116.03 1tk0 h ASP 403 Ca -0.54 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 55.69 1tk0 h ASP 403 Cb 1.31 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.71 1tk0 h ASP 403 CO 0.46 0.25 0.01 0.29 -3.12 0.00 0.00 179.24 177.13 1tk0 n LYS 404 N -4.07 2.10 -1.83 3.56 4.76 -1.26 -4.98 118.16 116.43 1tk0 n LYS 404 Ca -0.02 -3.11 -0.38 0.00 -2.87 0.00 0.00 58.31 51.93 1tk0 n LYS 404 Cb 0.32 -1.86 0.03 0.00 -1.84 0.00 0.00 35.03 31.68 1tk0 n LYS 404 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tk0 s ALA 405 N -3.18 2.90 0.27 7.82 0.00 -0.94 -4.56 121.76 124.07 1tk0 s ALA 405 Ca 0.45 1.32 -0.01 0.00 0.00 0.00 0.00 51.96 53.72 1tk0 s ALA 405 Cb 0.40 -3.55 0.47 0.00 0.00 0.00 0.00 23.12 20.43 1tk0 s ALA 405 CO 0.03 -1.28 1.84 -1.49 0.00 0.00 0.00 175.76 174.86 1tk0 h TRP 406 N 1.66 1.09 0.00 0.00 6.55 -1.29 -0.35 115.95 123.61 1tk0 h TRP 406 Ca -0.51 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.36 1tk0 h TRP 406 Cb 1.29 -0.35 -0.00 0.00 -0.86 0.00 0.00 29.16 29.24 1tk0 h TRP 406 CO 0.47 0.48 -0.03 -0.07 -1.05 0.00 0.00 178.44 178.24 1tk0 h LEU 407 N 1.00 0.00 0.00 -4.49 3.38 -1.68 -1.22 115.31 112.30 1tk0 h LEU 407 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1tk0 h LEU 407 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1tk0 h LEU 407 CO -0.23 0.03 -0.56 0.03 0.09 0.00 0.00 178.44 177.80 1tk0 h ARG 408 N 0.00 0.00 -0.01 1.13 3.08 -1.35 -3.35 114.38 113.88 1tk0 h ARG 408 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1tk0 h ARG 408 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1tk0 h ARG 408 CO 0.00 0.00 -0.43 0.66 -1.07 0.00 0.00 179.97 179.14 1tk0 n TYR 409 N -2.16 0.00 -1.84 3.04 4.01 -0.51 -4.97 117.16 114.73 1tk0 n TYR 409 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 1tk0 n TYR 409 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.44 1tk0 n TYR 409 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1tk0 s VAL 410 N -2.12 2.56 0.85 -0.72 -7.23 -0.92 -4.52 120.40 108.31 1tk0 s VAL 410 Ca 0.14 0.28 -0.08 0.00 -1.81 0.00 0.00 61.98 60.51 1tk0 s VAL 410 Cb 0.14 -3.18 0.17 0.00 0.56 0.00 0.00 36.38 34.07 1tk0 s VAL 410 CO 0.48 0.01 1.16 0.00 -0.31 0.00 0.00 175.10 176.44 1tk0 s ALA 411 N 1.78 3.04 0.13 1.32 0.00 0.17 -4.95 121.76 123.25 1tk0 s ALA 411 Ca 0.74 -1.58 0.30 0.00 0.00 0.00 0.00 51.96 51.42 1tk0 s ALA 411 Cb -0.45 -2.31 1.23 0.00 0.00 0.00 0.00 23.12 21.60 1tk0 s ALA 411 CO 0.33 -1.99 1.94 0.93 0.00 0.00 0.00 175.76 176.97 1tk0 h GLU 412 N -1.09 0.00 -0.33 0.00 4.39 -1.94 -2.51 114.58 113.10 1tk0 h GLU 412 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1tk0 h GLU 412 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1tk0 h GLU 412 CO 0.36 0.08 0.00 -0.40 -1.16 0.00 0.00 179.01 177.89 1tk0 n ASP 413 N -3.22 1.17 -0.68 1.42 5.68 -1.26 -4.87 116.55 114.79 1tk0 n ASP 413 Ca 0.00 -2.05 -0.09 0.00 -0.50 0.00 0.00 54.79 52.16 1tk0 n ASP 413 Cb 0.34 -0.21 -0.04 0.00 -1.14 0.00 0.00 41.12 40.07 1tk0 n ASP 413 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tk0 n GLY 414 N 0.63 1.04 3.35 6.12 0.00 -0.94 -4.99 105.19 110.40 1tk0 n GLY 414 Ca 0.06 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 1tk0 n GLY 414 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tk0 s LYS 415 N -2.61 1.34 -0.21 1.61 1.02 -1.26 -1.32 119.74 118.31 1tk0 s LYS 415 Ca 0.00 -1.62 -0.05 0.00 0.02 0.00 0.00 55.97 54.32 1tk0 s LYS 415 Cb 0.00 -1.01 -0.02 0.00 -0.52 0.00 0.00 37.83 36.28 1tk0 s LYS 415 CO 0.00 0.11 0.00 0.42 -0.92 0.00 0.00 175.35 174.96 1tk0 s ILE 416 N -3.07 3.88 -1.05 2.17 1.01 -0.80 -0.65 121.20 122.68 1tk0 s ILE 416 Ca 0.24 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 1tk0 s ILE 416 Cb 0.01 -2.77 0.31 0.00 0.01 0.00 0.00 42.46 40.02 1tk0 s ILE 416 CO 0.07 0.41 1.47 1.41 0.00 0.00 0.00 174.94 178.30 1tk0 n HIS 417 N 4.46 2.32 -1.69 3.97 8.25 -1.26 -0.78 115.22 130.50 1tk0 n HIS 417 Ca -0.17 -2.65 -0.41 0.00 -0.26 0.00 0.00 57.72 54.24 1tk0 n HIS 417 Cb 0.52 -1.21 0.02 0.00 1.12 0.00 0.00 29.99 30.43 1tk0 n HIS 417 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tk0 n GLY 418 N 1.20 0.40 3.89 -1.41 0.00 -1.26 -4.86 105.19 103.15 1tk0 n GLY 418 Ca 0.27 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 1tk0 n GLY 418 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tk0 s SER 419 N -0.65 6.47 -0.03 1.61 0.15 -0.23 -4.67 113.70 116.36 1tk0 s SER 419 Ca 0.63 0.97 -0.00 0.00 0.70 0.00 0.00 55.95 58.25 1tk0 s SER 419 Cb -0.50 -2.25 0.03 0.00 -1.71 0.00 0.00 66.02 61.59 1tk0 s SER 419 CO 0.56 -0.35 0.04 -0.69 1.20 0.00 0.00 173.24 174.01 1tk0 s VAL 420 N -2.32 -0.07 -0.55 4.45 1.01 -1.26 -2.33 120.40 119.33 1tk0 s VAL 420 Ca 0.48 0.24 -0.17 0.00 0.00 0.00 0.00 61.98 62.54 1tk0 s VAL 420 Cb -0.10 -0.10 0.12 0.00 0.00 0.00 0.00 36.38 36.30 1tk0 s VAL 420 CO 0.32 0.10 0.54 0.21 0.00 0.00 0.00 175.10 176.27 1tk0 s ASN 421 N 1.24 6.19 0.57 3.32 3.84 -0.35 -4.93 114.94 124.81 1tk0 s ASN 421 Ca -0.07 -1.70 0.32 0.00 0.21 0.00 0.00 52.86 51.61 1tk0 s ASN 421 Cb -0.13 -2.23 1.42 0.00 -0.55 0.00 0.00 41.25 39.76 1tk0 s ASN 421 CO -0.03 -0.90 1.76 -0.65 -2.79 0.00 0.00 177.10 174.48 1tk0 h PRO 422 N 8.94 0.00 -0.45 0.43 0.11 -1.91 -0.92 132.00 138.21 1tk0 h PRO 422 Ca -0.30 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.54 1tk0 h PRO 422 Cb 1.10 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.81 1tk0 h PRO 422 CO 1.05 0.00 -1.07 -1.71 -0.21 0.00 0.00 178.00 176.06 1tk0 n ASN 423 N -3.82 1.99 0.24 -2.05 5.15 -1.26 -3.86 115.26 111.66 1tk0 n ASN 423 Ca 0.18 -2.27 0.11 0.00 -0.60 0.00 0.00 54.58 52.00 1tk0 n ASN 423 Cb 1.06 -0.45 0.58 0.00 -0.53 0.00 0.00 39.78 40.44 1tk0 n ASN 423 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1tk0 h GLY 424 N 2.45 0.00 -4.76 8.20 0.00 -1.28 -3.44 103.07 104.24 1tk0 h GLY 424 Ca -0.08 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.65 1tk0 h GLY 424 CO 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 176.54 176.48 1tk0 s ALA 425 N -3.87 3.79 0.43 3.60 0.00 -0.75 -4.88 121.76 120.08 1tk0 s ALA 425 Ca -0.01 -0.48 0.18 0.00 0.00 0.00 0.00 51.96 51.64 1tk0 s ALA 425 Cb 0.11 -2.17 1.09 0.00 0.00 0.00 0.00 23.12 22.16 1tk0 s ALA 425 CO 0.61 0.61 1.88 -0.39 0.00 0.00 0.00 175.76 178.47 1tk0 h VAL 426 N 2.89 0.71 0.00 0.00 -1.51 -1.86 -1.17 116.25 115.31 1tk0 h VAL 426 Ca -0.49 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 1tk0 h VAL 426 Cb 1.19 0.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1tk0 h VAL 426 CO 0.67 0.07 0.00 0.35 -1.23 0.00 0.00 177.57 177.43 1tk0 n THR 427 N -4.49 0.66 0.00 7.19 -2.24 -1.26 -4.54 114.28 109.61 1tk0 n THR 427 Ca 0.18 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1tk0 n THR 427 Cb 0.66 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1tk0 n THR 427 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tk0 n GLY 428 N 0.56 0.77 3.76 3.38 0.00 -0.44 -4.15 105.19 109.06 1tk0 n GLY 428 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1tk0 n GLY 428 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tk0 s ARG 429 N -0.48 1.49 0.44 1.61 0.52 -1.25 -4.74 118.95 116.54 1tk0 s ARG 429 Ca 0.00 0.60 0.07 0.00 -0.52 0.00 0.00 55.73 55.87 1tk0 s ARG 429 Cb 0.00 -1.85 0.01 0.00 0.52 0.00 0.00 34.95 33.63 1tk0 s ARG 429 CO 0.00 -2.03 0.60 0.00 0.02 0.00 0.00 175.30 173.89 1tk0 s ALA 430 N -3.10 4.38 0.15 2.13 0.00 -1.25 -1.81 121.76 122.26 1tk0 s ALA 430 Ca 0.63 -1.58 0.08 0.00 0.00 0.00 0.00 51.96 51.08 1tk0 s ALA 430 Cb -0.16 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1tk0 s ALA 430 CO 0.55 -0.35 -0.17 0.95 0.00 0.00 0.00 175.76 176.74 1tk0 s THR 431 N -2.41 1.69 -0.00 0.00 -4.23 -0.39 -4.55 115.64 105.74 1tk0 s THR 431 Ca 0.55 -1.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 1tk0 s THR 431 Cb -0.10 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 71.99 1tk0 s THR 431 CO 0.34 -0.32 -0.11 -1.00 -0.54 0.00 0.00 174.62 172.98 1tk0 s HIS 432 N -2.00 1.01 0.19 3.99 3.76 -1.26 -1.21 115.29 119.76 1tk0 s HIS 432 Ca 0.13 -0.20 -0.23 0.00 -0.15 0.00 0.00 55.06 54.61 1tk0 s HIS 432 Cb -0.06 -0.65 0.06 0.00 1.11 0.00 0.00 32.58 33.04 1tk0 s HIS 432 CO 0.05 -0.01 0.67 0.00 -0.85 0.00 0.00 174.74 174.60 1tk0 s ALA 433 N -0.32 -1.49 -0.96 -1.40 0.00 -0.99 -4.40 121.76 112.20 1tk0 s ALA 433 Ca 0.04 0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 1tk0 s ALA 433 Cb -0.05 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 1tk0 s ALA 433 CO -0.00 -0.86 0.81 1.19 0.00 0.00 0.00 175.76 176.90 1tk0 n PHE 434 N -0.40 -1.90 -2.75 0.00 3.72 -1.26 -1.07 117.46 113.79 1tk0 n PHE 434 Ca -0.12 0.76 -0.21 0.00 -0.05 0.00 0.00 57.45 57.84 1tk0 n PHE 434 Cb 0.63 -4.36 0.06 0.00 -0.94 0.00 0.00 39.48 34.87 1tk0 n PHE 434 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1tk0 s PRO 435 N -4.83 2.25 -0.71 -1.08 0.04 -1.26 -4.08 135.00 125.33 1tk0 s PRO 435 Ca 0.12 -1.12 -0.27 0.00 0.04 0.00 0.00 61.00 59.76 1tk0 s PRO 435 Cb -0.02 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 32.05 1tk0 s PRO 435 CO 0.61 -0.92 1.26 1.21 0.04 0.00 0.00 177.00 179.20 1tk0 s ASN 436 N -4.56 6.21 0.00 6.66 3.84 -1.26 -4.44 114.94 121.38 1tk0 s ASN 436 Ca 0.61 -0.37 0.25 0.00 0.21 0.00 0.00 52.86 53.56 1tk0 s ASN 436 Cb -0.08 -2.56 1.42 0.00 -0.55 0.00 0.00 41.25 39.49 1tk0 s ASN 436 CO 0.40 -1.77 1.84 0.18 -2.79 0.00 0.00 177.10 174.95 1tk0 n LEU 437 N 9.19 0.00 -1.34 3.21 4.77 -1.26 -2.61 117.00 128.96 1tk0 n LEU 437 Ca 0.04 0.06 0.09 0.00 -0.03 0.00 0.00 56.01 56.17 1tk0 n LEU 437 Cb 0.49 -0.06 0.30 0.00 -2.33 0.00 0.00 43.42 41.82 1tk0 n LEU 437 CO 0.71 -0.01 0.76 0.00 -1.33 0.00 0.00 177.39 177.51 1tk0 n ALA 438 N -1.06 2.77 -2.34 -1.18 0.00 -1.26 -4.20 120.51 113.24 1tk0 n ALA 438 Ca 0.17 -1.28 0.04 0.00 0.00 0.00 0.00 53.44 52.37 1tk0 n ALA 438 Cb 0.11 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.62 1tk0 n ALA 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tk0 n GLN 439 N 1.14 0.43 -2.33 0.00 10.64 -1.07 -5.08 117.38 121.12 1tk0 n GLN 439 Ca 0.22 -2.35 -0.41 0.00 -1.83 0.00 0.00 57.00 52.63 1tk0 n GLN 439 Cb 0.70 -0.42 -0.03 0.00 -0.86 0.00 0.00 30.24 29.63 1tk0 n GLN 439 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1tk0 s ILE 440 N -0.86 3.46 0.29 -0.39 -1.09 -1.26 -4.94 121.20 116.41 1tk0 s ILE 440 Ca 0.35 1.23 -0.28 0.00 -2.23 0.00 0.00 60.65 59.71 1tk0 s ILE 440 Cb 0.38 -3.78 -0.14 0.00 -1.58 0.00 0.00 42.46 37.34 1tk0 s ILE 440 CO -0.14 0.19 0.98 -2.65 -1.23 0.00 0.00 174.94 172.09 1tk0 n PRO 441 N 2.52 1.28 -2.14 2.79 -0.02 -1.26 -4.92 135.00 133.25 1tk0 n PRO 441 Ca 0.05 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.63 1tk0 n PRO 441 Cb 0.44 -1.80 0.01 0.00 -0.02 0.00 0.00 33.50 32.13 1tk0 n PRO 441 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1tk0 s GLY 442 N -0.59 2.57 0.60 -1.23 0.00 -1.26 -4.59 107.32 102.82 1tk0 s GLY 442 Ca 0.59 0.80 0.31 0.00 0.00 0.00 0.00 44.72 46.42 1tk0 s GLY 442 CO 0.60 1.16 2.13 -0.39 0.00 0.00 0.00 173.10 176.61 1tk0 h VAL 443 N 0.96 0.39 -0.01 1.40 -1.51 -1.92 -1.92 116.25 113.64 1tk0 h VAL 443 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1tk0 h VAL 443 Cb 1.26 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1tk0 h VAL 443 CO 0.56 0.00 -0.03 0.54 -1.23 0.00 0.00 177.57 177.41 1tk0 n ARG 444 N -3.66 1.59 -3.33 5.19 1.74 -1.26 -3.28 116.66 113.65 1tk0 n ARG 444 Ca 0.00 -0.94 -0.22 0.00 -0.77 0.00 0.00 57.85 55.92 1tk0 n ARG 444 Cb 0.27 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1tk0 n ARG 444 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1tk0 s SER 445 N -2.06 6.10 0.06 0.55 1.04 -0.72 -4.97 113.70 113.69 1tk0 s SER 445 Ca 0.36 0.26 -0.36 0.00 0.48 0.00 0.00 55.95 56.69 1tk0 s SER 445 Cb 0.21 -1.73 -0.15 0.00 0.10 0.00 0.00 66.02 64.45 1tk0 s SER 445 CO 0.36 -0.42 1.50 -2.65 0.98 0.00 0.00 173.24 173.00 1tk0 n PRO 446 N -1.82 1.54 -0.79 4.02 -0.02 -1.26 -0.30 135.00 136.37 1tk0 n PRO 446 Ca -0.03 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1tk0 n PRO 446 Cb 0.57 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1tk0 n PRO 446 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1tk0 n TYR 447 N 3.40 0.00 -0.12 6.00 4.01 -1.26 -4.88 117.16 124.31 1tk0 n TYR 447 Ca 0.19 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.88 1tk0 n TYR 447 Cb 0.22 -0.89 0.03 0.00 -0.31 0.00 0.00 39.34 38.40 1tk0 n TYR 447 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1tk0 h GLY 448 N 0.00 0.52 0.52 2.72 0.00 -0.81 -1.47 103.07 104.55 1tk0 h GLY 448 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.32 1tk0 h GLY 448 CO 0.00 0.02 0.08 0.83 0.00 0.00 0.00 176.54 177.46 1tk0 h GLU 449 N 0.29 0.20 -0.62 4.80 5.08 -1.76 0.25 114.58 122.82 1tk0 h GLU 449 Ca 0.19 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1tk0 h GLU 449 Cb 0.18 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1tk0 h GLU 449 CO -0.20 0.13 0.24 1.96 -1.00 0.00 0.00 179.01 180.14 1tk0 h GLN 450 N 0.21 0.94 -0.08 2.33 4.20 -1.87 0.77 115.11 121.61 1tk0 h GLN 450 Ca 0.19 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1tk0 h GLN 450 Cb 0.22 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1tk0 h GLN 450 CO -0.25 0.80 0.03 0.00 -0.67 0.00 0.00 178.83 178.75 1tk0 h ARG 452 N -0.02 0.93 0.00 0.00 9.65 -0.41 -2.97 114.38 121.56 1tk0 h ARG 452 Ca 0.03 -0.33 -0.03 0.00 -1.10 0.00 0.00 59.98 58.55 1tk0 h ARG 452 Cb 0.17 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 1tk0 h ARG 452 CO -0.00 0.99 -0.12 0.00 2.80 0.00 0.00 179.97 183.64 1tk0 h ALA 453 N 1.03 1.07 0.00 2.80 0.00 -0.83 -2.57 119.26 120.75 1tk0 h ALA 453 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1tk0 h ALA 453 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1tk0 h ALA 453 CO 0.05 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1tk0 h ALA 454 N 1.88 1.00 -3.00 0.00 0.00 -1.33 -3.39 119.26 114.42 1tk0 h ALA 454 Ca -0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 1tk0 h ALA 454 Cb 0.55 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.07 1tk0 h ALA 454 CO 0.02 0.00 -0.56 -0.06 0.00 0.00 0.00 179.25 178.64 1tk0 s PHE 455 N -3.33 3.25 -0.20 0.00 0.40 -0.98 -0.35 117.98 116.79 1tk0 s PHE 455 Ca 0.04 -1.24 -0.30 0.00 -0.60 0.00 0.00 56.93 54.83 1tk0 s PHE 455 Cb 0.09 -2.36 0.15 0.00 0.51 0.00 0.00 43.02 41.41 1tk0 s PHE 455 CO 0.42 -0.70 1.11 0.20 0.70 0.00 0.00 175.22 176.95 1tk0 s GLY 456 N 1.48 -0.16 0.54 4.36 0.00 -0.86 -0.37 107.32 112.30 1tk0 s GLY 456 Ca -0.00 2.24 0.21 0.00 0.00 0.00 0.00 44.72 47.17 1tk0 s GLY 456 CO 0.04 1.02 2.13 0.00 0.00 0.00 0.00 173.10 176.29 1tk0 h ALA 457 N 2.37 2.03 -0.35 3.20 0.00 -1.73 -1.21 119.26 123.57 1tk0 h ALA 457 Ca -0.15 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1tk0 h ALA 457 Cb 1.17 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1tk0 h ALA 457 CO 0.28 -0.17 0.24 1.05 0.00 0.00 0.00 179.25 180.64 1tk0 h GLU 458 N 0.00 0.22 0.00 0.00 4.11 -1.00 -0.43 114.58 117.48 1tk0 h GLU 458 Ca 0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1tk0 h GLU 458 Cb 0.27 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1tk0 h GLU 458 CO -0.00 0.15 0.00 0.72 0.07 0.00 0.00 179.01 179.94 1tk0 n HIS 459 N -4.48 0.00 -4.57 2.06 8.25 -0.46 -4.41 115.22 111.61 1tk0 n HIS 459 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.17 1tk0 n HIS 459 Cb 0.26 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.21 1tk0 n HIS 459 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1tk0 s HIS 460 N -2.00 2.71 -0.15 4.41 5.65 -0.18 -4.70 115.29 121.03 1tk0 s HIS 460 Ca 0.10 -1.32 -0.13 0.00 0.25 0.00 0.00 55.06 53.97 1tk0 s HIS 460 Cb 0.05 -1.84 -0.05 0.00 -1.18 0.00 0.00 32.58 29.56 1tk0 s HIS 460 CO 0.08 -0.61 0.27 -0.51 -0.65 0.00 0.00 174.74 173.32 1tk0 s LEU 461 N 0.87 4.27 0.38 8.88 1.43 -1.26 -1.54 118.68 131.71 1tk0 s LEU 461 Ca -0.05 0.50 -0.26 0.00 -1.03 0.00 0.00 54.13 53.29 1tk0 s LEU 461 Cb -0.15 -2.33 -0.12 0.00 0.03 0.00 0.00 46.19 43.63 1tk0 s LEU 461 CO -0.03 0.15 1.06 -0.67 0.23 0.00 0.00 176.35 177.09 1tk0 n ASP 462 N 3.30 1.54 0.26 2.29 2.03 0.17 -4.79 116.55 121.35 1tk0 n ASP 462 Ca -0.13 1.10 0.17 0.00 0.52 0.00 0.00 54.79 56.45 1tk0 n ASP 462 Cb 0.52 -1.36 0.77 0.00 -0.72 0.00 0.00 41.12 40.33 1tk0 n ASP 462 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1tk0 h GLY 463 N 1.82 0.00 0.00 0.27 0.00 -1.91 -1.54 103.07 101.71 1tk0 h GLY 463 Ca -0.44 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1tk0 h GLY 463 CO 0.59 0.00 -0.94 1.39 0.00 0.00 0.00 176.54 177.58 1tk0 n ILE 464 N -2.88 1.42 1.02 2.60 2.08 -1.26 -4.73 119.36 117.61 1tk0 n ILE 464 Ca -0.00 0.15 0.13 0.00 0.56 0.00 0.00 62.75 63.58 1tk0 n ILE 464 Cb 0.22 -2.15 0.38 0.00 -0.75 0.00 0.00 39.64 37.34 1tk0 n ILE 464 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1tk0 n THR 465 N -4.23 0.00 -0.88 1.39 -2.24 -1.26 -4.94 114.28 102.13 1tk0 n THR 465 Ca -0.14 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1tk0 n THR 465 Cb 0.45 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1tk0 n THR 465 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tk0 n GLY 466 N 1.49 0.28 3.80 3.38 0.00 -0.58 -4.92 105.19 108.64 1tk0 n GLY 466 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1tk0 n GLY 466 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tk0 s LYS 467 N -0.97 4.36 0.67 1.61 -0.14 -1.26 -4.38 119.74 119.63 1tk0 s LYS 467 Ca 0.00 0.97 -0.17 0.00 -1.36 0.00 0.00 55.97 55.41 1tk0 s LYS 467 Cb 0.00 -3.03 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 1tk0 s LYS 467 CO 0.00 0.47 1.21 -1.25 -0.76 0.00 0.00 175.35 175.02 1tk0 s PRO 468 N -1.64 2.53 0.67 -1.68 0.04 -1.26 -0.65 135.00 133.01 1tk0 s PRO 468 Ca 0.40 1.79 -0.06 0.00 0.04 0.00 0.00 61.00 63.17 1tk0 s PRO 468 Cb -0.19 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1tk0 s PRO 468 CO 0.23 -1.54 0.98 -1.58 0.04 0.00 0.00 177.00 175.12 1tk0 s TRP 469 N -1.80 2.96 0.20 0.56 0.52 -0.59 -4.84 118.94 115.94 1tk0 s TRP 469 Ca 0.76 0.43 0.09 0.00 0.02 0.00 0.00 56.10 57.40 1tk0 s TRP 469 Cb -0.30 -3.09 -0.04 0.00 -1.15 0.00 0.00 33.47 28.89 1tk0 s TRP 469 CO 0.40 -1.28 -0.09 0.08 0.02 0.00 0.00 176.95 176.09 1tk0 s VAL 470 N -3.16 3.20 -0.07 4.03 1.01 0.86 -2.88 120.40 123.39 1tk0 s VAL 470 Ca 0.59 -1.72 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1tk0 s VAL 470 Cb -0.11 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1tk0 s VAL 470 CO 0.44 -0.16 -0.08 -1.58 0.00 0.00 0.00 175.10 173.72 1tk0 s GLN 471 N -2.97 2.75 -0.22 2.72 0.74 0.14 0.13 119.66 122.95 1tk0 s GLN 471 Ca 0.26 -0.58 0.01 0.00 0.05 0.00 0.00 55.36 55.10 1tk0 s GLN 471 Cb -0.08 -2.56 0.03 0.00 1.10 0.00 0.00 33.01 31.50 1tk0 s GLN 471 CO 0.16 0.63 -0.14 0.00 -0.55 0.00 0.00 175.29 175.38 1tk0 s ALA 472 N -0.72 2.49 -0.20 1.58 0.00 0.06 -1.28 121.76 123.69 1tk0 s ALA 472 Ca 0.11 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 50.62 1tk0 s ALA 472 Cb -0.11 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1tk0 s ALA 472 CO 0.01 -0.67 -0.03 0.20 0.00 0.00 0.00 175.76 175.28 1tk0 s GLY 473 N 1.25 1.66 -0.07 0.00 0.00 0.41 -0.90 107.32 109.68 1tk0 s GLY 473 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.73 1tk0 s GLY 473 CO -0.09 0.24 -0.15 -0.42 0.00 0.00 0.00 173.10 172.68 1tk0 s ILE 474 N 1.05 1.31 -0.03 0.90 1.09 -0.61 -0.02 121.20 124.89 1tk0 s ILE 474 Ca 0.01 -0.59 0.03 0.00 -1.10 0.00 0.00 60.65 59.00 1tk0 s ILE 474 Cb -0.15 -1.18 0.00 0.00 -1.06 0.00 0.00 42.46 40.08 1tk0 s ILE 474 CO 0.01 0.39 -0.10 -0.62 -0.10 0.00 0.00 174.94 174.52 1tk0 s ASP 475 N 0.56 1.32 0.14 3.58 -1.08 -0.43 -1.29 116.67 119.46 1tk0 s ASP 475 Ca -0.15 -0.21 -0.31 0.00 -0.52 0.00 0.00 52.55 51.37 1tk0 s ASP 475 Cb -0.16 -0.37 -0.09 0.00 -1.46 0.00 0.00 42.92 40.84 1tk0 s ASP 475 CO 0.05 0.07 1.48 0.00 0.52 0.00 0.00 175.17 177.28 1tk0 s ALA 476 N 0.22 3.69 -0.03 3.66 0.00 0.12 -0.89 121.76 128.52 1tk0 s ALA 476 Ca -0.04 1.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 1tk0 s ALA 476 Cb -0.09 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1tk0 s ALA 476 CO 0.01 -0.70 1.19 -1.12 0.00 0.00 0.00 175.76 175.14 1tk0 s SER 477 N 1.11 7.06 -1.82 0.00 0.01 -0.57 -3.97 113.70 115.52 1tk0 s SER 477 Ca 0.67 1.85 -0.22 0.00 1.31 0.00 0.00 55.95 59.56 1tk0 s SER 477 Cb -0.40 -2.56 0.22 0.00 0.21 0.00 0.00 66.02 63.49 1tk0 s SER 477 CO 0.31 -0.55 0.55 0.61 0.41 0.00 0.00 173.24 174.57 1tk0 n GLY 478 N 3.33 -0.38 0.13 3.44 0.00 -1.26 -4.70 105.19 105.75 1tk0 n GLY 478 Ca 0.10 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1tk0 n GLY 478 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1tk0 n LEU 479 N -3.99 -0.32 0.27 0.99 7.94 -1.25 -1.75 117.00 118.89 1tk0 n LEU 479 Ca 0.09 1.06 0.16 0.00 -1.11 0.00 0.00 56.01 56.21 1tk0 n LEU 479 Cb 0.45 -0.33 0.68 0.00 0.53 0.00 0.00 43.42 44.75 1tk0 n LEU 479 CO 0.94 -0.70 0.96 -0.33 -1.11 0.00 0.00 177.39 177.15 1tk0 h GLU 480 N 0.00 0.00 -0.02 1.96 5.08 -1.90 -1.34 114.58 118.36 1tk0 h GLU 480 Ca 0.05 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 1tk0 h GLU 480 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1tk0 h GLU 480 CO -0.29 0.07 -0.83 -0.07 -1.00 0.00 0.00 179.01 176.89 1tk0 h LEU 481 N 0.00 0.33 -0.87 1.33 3.38 -1.74 -1.14 115.31 116.59 1tk0 h LEU 481 Ca -0.00 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 1tk0 h LEU 481 Cb 0.51 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1tk0 h LEU 481 CO 0.01 1.02 -0.53 0.03 0.09 0.00 0.00 178.44 179.06 1tk0 h ARG 482 N 0.16 0.00 -0.43 1.13 3.08 -0.61 -0.13 114.38 117.59 1tk0 h ARG 482 Ca -0.04 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 1tk0 h ARG 482 Cb 1.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 1tk0 h ARG 482 CO 0.13 0.53 -0.26 0.00 -1.07 0.00 0.00 179.97 179.31 1tk0 h LEU 484 N 0.77 -0.18 -0.87 0.00 5.85 -0.70 -1.77 115.31 118.41 1tk0 h LEU 484 Ca 0.09 -0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.90 1tk0 h LEU 484 Cb 0.82 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.80 1tk0 h LEU 484 CO 0.07 -0.04 0.45 0.00 -0.34 0.00 0.00 178.44 178.58 1tk0 h ALA 485 N 0.52 1.34 0.65 1.25 0.00 -0.86 -0.74 119.26 121.41 1tk0 h ALA 485 Ca -0.02 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1tk0 h ALA 485 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1tk0 h ALA 485 CO 0.04 -0.12 -0.33 1.25 0.00 0.00 0.00 179.25 180.08 1tk0 h HIS 486 N 0.60 -0.87 0.00 0.00 -0.00 -0.79 -2.33 115.15 111.77 1tk0 h HIS 486 Ca 0.49 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.81 1tk0 h HIS 486 Cb 0.74 0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 28.43 1tk0 h HIS 486 CO -0.09 -0.53 -0.16 0.74 -0.00 0.00 0.00 177.93 177.89 1tk0 h PHE 487 N -0.90 0.00 -0.26 5.26 0.04 -0.70 -2.52 116.94 117.85 1tk0 h PHE 487 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1tk0 h PHE 487 Cb 0.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1tk0 h PHE 487 CO -0.05 0.16 0.00 0.00 -0.60 0.00 0.00 178.31 177.82 1tk0 n MET 488 N -3.64 2.16 0.28 1.51 0.00 -0.34 -4.22 117.12 112.88 1tk0 n MET 488 Ca -0.01 -1.75 0.14 0.00 0.00 0.00 0.00 57.70 56.07 1tk0 n MET 488 Cb 0.28 -1.46 0.83 0.00 0.00 0.00 0.00 33.22 32.87 1tk0 n MET 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1tk0 h ALA 489 N 4.34 1.46 0.00 3.17 0.00 -0.96 0.55 119.26 127.82 1tk0 h ALA 489 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1tk0 h ALA 489 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1tk0 h ALA 489 CO 0.00 0.06 0.00 2.89 0.00 0.00 0.00 179.25 182.20 1tk0 n ARG 490 N -3.81 0.07 -0.09 0.00 1.85 -1.26 -0.41 116.66 113.02 1tk0 n ARG 490 Ca -0.03 0.13 -0.11 0.00 -1.00 0.00 0.00 57.85 56.85 1tk0 n ARG 490 Cb 0.14 -1.60 -0.11 0.00 -1.05 0.00 0.00 32.46 29.84 1tk0 n ARG 490 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1tk0 n PHE 491 N -1.73 0.00 -0.60 2.89 3.72 0.07 -4.63 117.46 117.19 1tk0 n PHE 491 Ca 0.06 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.51 1tk0 n PHE 491 Cb 0.32 -0.80 0.09 0.00 -0.94 0.00 0.00 39.48 38.15 1tk0 n PHE 491 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1tk0 n ASP 492 N -2.82 2.30 -3.24 4.37 5.75 -0.54 -4.99 116.55 117.38 1tk0 n ASP 492 Ca -0.31 -2.60 -0.23 0.00 -0.01 0.00 0.00 54.79 51.64 1tk0 n ASP 492 Cb 0.97 -0.25 0.01 0.00 -1.03 0.00 0.00 41.12 40.82 1tk0 n ASP 492 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1tk0 n ASN 493 N -0.94 -4.56 0.00 -1.12 3.02 0.45 -1.49 115.26 110.62 1tk0 n ASN 493 Ca 0.10 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 1tk0 n ASN 493 Cb 0.48 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 1tk0 n ASN 493 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tk0 n GLY 494 N -1.30 0.50 0.50 7.41 0.00 -1.15 -4.96 105.19 106.19 1tk0 n GLY 494 Ca -0.05 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 1tk0 n GLY 494 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1tk0 h GLU 495 N 0.87 -1.03 -0.89 1.61 4.81 -1.60 -0.40 114.58 117.95 1tk0 h GLU 495 Ca 0.00 0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1tk0 h GLU 495 Cb 0.00 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1tk0 h GLU 495 CO 0.00 -0.69 0.49 -0.92 -0.73 0.00 0.00 179.01 177.16 1tk0 h TYR 496 N -1.07 1.22 -0.29 0.92 3.20 -1.91 -0.76 116.97 118.27 1tk0 h TYR 496 Ca -0.08 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.82 1tk0 h TYR 496 Cb 0.90 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1tk0 h TYR 496 CO -0.19 0.85 0.20 0.00 -1.64 0.00 0.00 178.16 177.37 1tk0 h ALA 497 N 1.27 2.12 0.16 1.82 0.00 -1.73 0.28 119.26 123.17 1tk0 h ALA 497 Ca 0.31 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.96 1tk0 h ALA 497 Cb 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1tk0 h ALA 497 CO -0.05 -0.18 -1.17 1.25 0.00 0.00 0.00 179.25 179.10 1tk0 h HIS 498 N 0.13 0.63 -0.30 0.00 -0.00 -0.19 -3.34 115.15 112.08 1tk0 h HIS 498 Ca 0.13 -0.46 -0.07 0.00 -0.00 0.00 0.00 60.37 59.97 1tk0 h HIS 498 Cb 0.37 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.74 1tk0 h HIS 498 CO -0.00 1.45 -0.12 1.49 -0.00 0.00 0.00 177.93 180.75 1tk0 h GLU 499 N -0.21 0.52 -0.08 5.26 4.81 -0.51 -3.07 114.58 121.29 1tk0 h GLU 499 Ca -0.22 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1tk0 h GLU 499 Cb 1.82 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 31.14 1tk0 h GLU 499 CO 0.16 0.63 0.06 0.97 -0.73 0.00 0.00 179.01 180.10 1tk0 h ILE 500 N 0.48 0.98 -0.52 2.32 2.10 -0.59 -2.08 117.51 120.19 1tk0 h ILE 500 Ca 0.09 -0.01 -0.08 0.00 1.08 0.00 0.00 64.86 65.94 1tk0 h ILE 500 Cb 0.49 0.94 -0.05 0.00 -1.09 0.00 0.00 36.82 37.12 1tk0 h ILE 500 CO 0.03 0.01 0.10 0.00 -1.08 0.00 0.00 178.15 177.21 1tk0 n LEU 501 N -4.52 5.02 -4.32 2.19 -0.00 -1.16 -4.20 117.00 110.01 1tk0 n LEU 501 Ca -0.01 -2.58 -0.45 0.00 -0.00 0.00 0.00 56.01 52.98 1tk0 n LEU 501 Cb 0.14 -0.67 -0.01 0.00 -0.00 0.00 0.00 43.42 42.88 1tk0 n LEU 501 CO 0.34 0.63 0.69 0.21 -0.00 0.00 0.00 177.39 179.26 1tk0 s ASN 502 N -0.66 7.12 0.00 1.45 2.47 -0.78 -4.93 114.94 119.61 1tk0 s ASN 502 Ca 0.44 -3.46 0.00 0.00 0.42 0.00 0.00 52.86 50.26 1tk0 s ASN 502 Cb 0.34 -2.18 0.00 0.00 -1.45 0.00 0.00 41.25 37.96 1tk0 s ASN 502 CO 0.12 -0.32 0.00 0.61 -3.72 0.00 0.00 177.10 173.78 1tk0 n GLY 503 N 2.88 -1.60 3.67 1.21 0.00 -1.26 -4.80 105.19 105.29 1tk0 n GLY 503 Ca 0.22 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1tk0 n GLY 503 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tk0 s ASP 504 N -4.41 6.68 0.22 1.61 2.15 -1.26 -4.92 116.67 116.74 1tk0 s ASP 504 Ca 0.00 2.28 -0.08 0.00 0.43 0.00 0.00 52.55 55.18 1tk0 s ASP 504 Cb 0.00 -2.55 0.22 0.00 -0.30 0.00 0.00 42.92 40.29 1tk0 s ASP 504 CO 0.00 -0.87 1.87 -0.29 -0.17 0.00 0.00 175.17 175.71 1tk0 h ILE 505 N 5.22 1.14 -0.14 4.11 6.09 -1.87 -0.54 117.51 131.52 1tk0 h ILE 505 Ca -0.40 -0.35 -0.15 0.00 -1.37 0.00 0.00 64.86 62.59 1tk0 h ILE 505 Cb 1.18 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.50 1tk0 h ILE 505 CO 0.94 0.19 -0.56 0.45 -3.07 0.00 0.00 178.15 176.10 1tk0 h HIS 506 N 1.01 0.52 -0.26 2.19 3.86 -1.94 -0.82 115.15 119.71 1tk0 h HIS 506 Ca 0.31 -0.18 -0.16 0.00 -1.16 0.00 0.00 60.37 59.18 1tk0 h HIS 506 Cb -0.02 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1tk0 h HIS 506 CO -0.03 0.87 -0.49 1.15 0.86 0.00 0.00 177.93 180.30 1tk0 h THR 507 N 0.32 1.30 -0.32 2.45 2.02 -1.84 -1.16 112.91 115.68 1tk0 h THR 507 Ca 0.00 -1.69 -0.04 0.00 0.77 0.00 0.00 66.41 65.45 1tk0 h THR 507 Cb 1.07 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1tk0 h THR 507 CO 0.10 0.54 0.05 0.50 0.37 0.00 0.00 175.52 177.07 1tk0 h LYS 508 N 0.55 0.53 -0.58 6.66 3.64 -0.92 -2.54 116.57 123.90 1tk0 h LYS 508 Ca 0.03 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1tk0 h LYS 508 Cb 1.05 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1tk0 h LYS 508 CO 0.10 0.62 0.14 -0.91 -2.27 0.00 0.00 179.45 177.13 1tk0 h ASN 509 N 0.35 0.85 -0.01 4.20 2.35 -1.09 -2.36 115.58 119.88 1tk0 h ASN 509 Ca 0.10 -0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1tk0 h ASN 509 Cb 0.35 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 1tk0 h ASN 509 CO 0.01 0.83 -0.24 -0.61 -1.65 0.00 0.00 177.43 175.77 1tk0 h GLN 510 N 0.87 -0.35 0.77 0.81 4.15 -0.98 0.35 115.11 120.72 1tk0 h GLN 510 Ca 0.19 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.60 1tk0 h GLN 510 Cb 0.32 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 1tk0 h GLN 510 CO 0.00 -0.24 -0.49 0.82 -1.93 0.00 0.00 178.83 177.00 1tk0 h ILE 511 N -0.37 0.00 -0.40 2.39 2.04 -1.30 0.50 117.51 120.38 1tk0 h ILE 511 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1tk0 h ILE 511 Cb 0.46 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.47 1tk0 h ILE 511 CO -0.22 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 177.89 1tk0 h ALA 512 N -1.18 0.33 0.00 1.87 0.00 -1.34 0.48 119.26 119.41 1tk0 h ALA 512 Ca -0.10 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1tk0 h ALA 512 Cb 0.95 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1tk0 h ALA 512 CO 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.93 1tk0 n ALA 513 N -2.61 2.12 -3.80 0.00 0.00 0.12 -4.88 120.51 111.46 1tk0 n ALA 513 Ca 0.02 -0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1tk0 n ALA 513 Cb 0.21 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.35 1tk0 n ALA 513 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tk0 n GLU 514 N -1.19 -4.35 -3.81 0.00 1.02 0.17 -4.97 120.64 107.51 1tk0 n GLU 514 Ca 0.11 0.54 -0.29 0.00 -0.02 0.00 0.00 57.16 57.50 1tk0 n GLU 514 Cb 0.13 -4.96 -0.04 0.00 -0.02 0.00 0.00 31.44 26.55 1tk0 n GLU 514 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1tk0 s LEU 515 N -6.80 4.30 0.07 -4.62 1.43 0.10 -5.00 118.68 108.16 1tk0 s LEU 515 Ca 0.03 0.36 -0.24 0.00 -1.03 0.00 0.00 54.13 53.25 1tk0 s LEU 515 Cb -0.02 -3.09 -0.16 0.00 0.03 0.00 0.00 46.19 42.95 1tk0 s LEU 515 CO 0.84 0.07 1.65 1.55 0.23 0.00 0.00 176.35 180.69 1tk0 h PRO 516 N 2.60 -0.08 -6.03 1.29 0.13 -1.93 -3.44 132.00 124.55 1tk0 h PRO 516 Ca -0.46 0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.11 1tk0 h PRO 516 Cb 1.17 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 1tk0 h PRO 516 CO 0.72 0.03 -0.76 0.95 -0.23 0.00 0.00 178.00 178.71 1tk0 s THR 517 N -5.85 2.19 0.37 1.56 -4.23 -1.26 -5.03 115.64 103.40 1tk0 s THR 517 Ca -0.14 -2.27 0.10 0.00 -1.18 0.00 0.00 61.69 58.19 1tk0 s THR 517 Cb 0.05 -2.17 0.13 0.00 1.34 0.00 0.00 72.50 71.85 1tk0 s THR 517 CO 0.66 -0.43 1.86 -0.09 -0.54 0.00 0.00 174.62 176.08 1tk0 h ARG 518 N 2.52 0.20 -0.31 3.99 2.43 -1.91 -2.21 114.38 119.09 1tk0 h ARG 518 Ca -0.40 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 58.56 1tk0 h ARG 518 Cb 1.24 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1tk0 h ARG 518 CO 0.59 0.42 -0.41 -0.44 -1.51 0.00 0.00 179.97 178.61 1tk0 h ASP 519 N 0.18 0.83 0.17 -3.80 3.32 -1.95 -2.81 116.42 112.36 1tk0 h ASP 519 Ca 0.03 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 1tk0 h ASP 519 Cb 0.50 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1tk0 h ASP 519 CO 0.03 1.13 -0.20 -1.13 -1.72 0.00 0.00 179.24 177.36 1tk0 h ASN 520 N 0.63 0.06 0.46 6.45 -0.00 -1.82 -1.81 115.58 119.55 1tk0 h ASN 520 Ca 0.05 -0.01 -0.13 0.00 -0.00 0.00 0.00 56.30 56.21 1tk0 h ASN 520 Cb 0.97 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 39.26 1tk0 h ASN 520 CO 0.09 0.27 -0.57 0.00 -0.00 0.00 0.00 177.43 177.22 1tk0 h ALA 521 N 1.74 0.99 -0.04 1.57 0.00 -1.20 -1.66 119.26 120.66 1tk0 h ALA 521 Ca 0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1tk0 h ALA 521 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1tk0 h ALA 521 CO 0.03 0.71 -0.08 0.87 0.00 0.00 0.00 179.25 180.77 1tk0 h LYS 522 N 0.09 0.13 -0.33 0.00 1.57 -1.16 0.93 116.57 117.79 1tk0 h LYS 522 Ca -0.00 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1tk0 h LYS 522 Cb 1.03 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1tk0 h LYS 522 CO 0.08 0.66 0.14 0.00 -0.57 0.00 0.00 179.45 179.77 1tk0 h THR 523 N -0.39 1.13 0.35 -0.16 1.03 -1.36 -1.14 112.91 112.37 1tk0 h THR 523 Ca 0.00 -0.38 -0.02 0.00 -0.01 0.00 0.00 66.41 66.00 1tk0 h THR 523 Cb 0.66 0.72 0.00 0.00 -1.07 0.00 0.00 68.15 68.47 1tk0 h THR 523 CO 0.02 0.15 -0.17 0.15 -0.01 0.00 0.00 175.52 175.66 1tk0 h PHE 524 N 0.46 -0.44 -0.78 0.00 3.57 -1.19 -1.59 116.94 116.98 1tk0 h PHE 524 Ca 0.12 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.69 1tk0 h PHE 524 Cb 0.08 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 1tk0 h PHE 524 CO 0.00 -0.12 0.43 0.97 -2.23 0.00 0.00 178.31 177.36 1tk0 h ILE 525 N -0.99 0.91 0.00 1.41 6.09 -0.64 0.15 117.51 124.44 1tk0 h ILE 525 Ca -0.05 -0.26 -0.10 0.00 -1.37 0.00 0.00 64.86 63.09 1tk0 h ILE 525 Cb 0.51 0.10 -0.01 0.00 0.47 0.00 0.00 36.82 37.89 1tk0 h ILE 525 CO 0.08 0.14 -0.47 1.88 -3.07 0.00 0.00 178.15 176.71 1tk0 h TYR 526 N 0.75 0.00 -0.19 2.19 0.05 -1.30 0.10 116.97 118.56 1tk0 h TYR 526 Ca 0.37 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 59.06 1tk0 h TYR 526 Cb 0.32 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 1tk0 h TYR 526 CO -0.07 0.47 -0.21 0.78 -1.05 0.00 0.00 178.16 178.07 1tk0 h GLY 527 N 2.87 0.53 0.81 3.88 0.00 -0.23 -2.32 103.07 108.60 1tk0 h GLY 527 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1tk0 h GLY 527 CO 0.06 0.50 -0.18 -2.75 0.00 0.00 0.00 176.54 174.17 1tk0 h PHE 528 N 0.14 -0.46 -0.90 5.60 3.57 -0.63 -1.07 116.94 123.20 1tk0 h PHE 528 Ca 0.03 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.70 1tk0 h PHE 528 Cb 0.77 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.59 1tk0 h PHE 528 CO 0.08 -0.18 0.59 1.25 -2.23 0.00 0.00 178.31 177.82 1tk0 h LEU 529 N -0.69 0.51 -3.97 0.59 5.85 -0.84 -2.72 115.31 114.04 1tk0 h LEU 529 Ca -0.05 0.05 -0.58 0.00 0.84 0.00 0.00 57.88 58.13 1tk0 h LEU 529 Cb 0.49 -0.05 -0.30 0.00 0.37 0.00 0.00 40.66 41.17 1tk0 h LEU 529 CO 0.08 0.22 0.71 -1.22 -0.34 0.00 0.00 178.44 177.89 1tk0 n TYR 530 N -4.55 3.08 -0.75 1.25 4.01 -0.87 -4.93 117.16 114.40 1tk0 n TYR 530 Ca 0.19 -2.39 0.00 0.00 -0.16 0.00 0.00 57.90 55.54 1tk0 n TYR 530 Cb 0.61 -1.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.48 1tk0 n TYR 530 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tk0 n GLY 531 N -1.04 0.57 3.77 2.72 0.00 -1.02 -4.94 105.19 105.25 1tk0 n GLY 531 Ca 0.60 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1tk0 n GLY 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk0 s ALA 532 N -2.00 3.47 0.90 4.61 0.00 -0.41 -4.99 121.76 123.34 1tk0 s ALA 532 Ca 0.00 1.42 -0.12 0.00 0.00 0.00 0.00 51.96 53.26 1tk0 s ALA 532 Cb 0.00 -3.55 0.13 0.00 0.00 0.00 0.00 23.12 19.70 1tk0 s ALA 532 CO 0.00 -0.91 1.13 0.20 0.00 0.00 0.00 175.76 176.18 1tk0 s GLY 533 N -0.38 1.58 0.26 0.00 0.00 -1.26 -4.77 107.32 102.75 1tk0 s GLY 533 Ca 0.53 -0.50 -0.02 0.00 0.00 0.00 0.00 44.72 44.73 1tk0 s GLY 533 CO 0.57 0.05 1.78 -0.55 0.00 0.00 0.00 173.10 174.95 1tk0 h ASP 534 N -1.47 0.59 -0.04 1.64 3.32 -1.89 -0.97 116.42 117.60 1tk0 h ASP 534 Ca -0.50 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1tk0 h ASP 534 Cb 1.33 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 1tk0 h ASP 534 CO 0.62 0.29 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.32 1tk0 h GLU 535 N 0.69 0.08 -0.88 3.56 4.81 -1.87 -2.39 114.58 118.58 1tk0 h GLU 535 Ca 0.44 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.70 1tk0 h GLU 535 Cb 0.55 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 1tk0 h GLU 535 CO -0.32 0.49 0.55 -0.22 -0.73 0.00 0.00 179.01 178.78 1tk0 h LYS 536 N -0.32 0.96 -0.72 1.92 1.63 -1.83 0.40 116.57 118.61 1tk0 h LYS 536 Ca 0.01 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1tk0 h LYS 536 Cb 0.47 -0.22 -0.05 0.00 -0.60 0.00 0.00 32.23 31.83 1tk0 h LYS 536 CO 0.01 0.64 0.45 0.82 -3.45 0.00 0.00 179.45 177.91 1tk0 h ILE 537 N 0.99 1.09 -0.08 2.00 1.08 -1.15 -1.84 117.51 119.60 1tk0 h ILE 537 Ca 0.39 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.58 1tk0 h ILE 537 Cb 0.20 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 1tk0 h ILE 537 CO -0.18 0.16 -0.01 1.23 -0.69 0.00 0.00 178.15 178.65 1tk0 h GLY 538 N 0.87 0.06 0.28 5.37 0.00 -0.44 -2.28 103.07 106.92 1tk0 h GLY 538 Ca 0.29 0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.75 1tk0 h GLY 538 CO -0.12 -0.02 0.18 -1.61 0.00 0.00 0.00 176.54 174.97 1tk0 h GLN 539 N 0.01 0.32 -0.59 4.80 4.15 -0.60 0.32 115.11 123.52 1tk0 h GLN 539 Ca 0.04 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1tk0 h GLN 539 Cb 0.05 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 1tk0 h GLN 539 CO -0.07 0.21 0.37 0.82 -1.93 0.00 0.00 178.83 178.23 1tk0 h ILE 540 N 0.33 1.16 -0.30 2.39 2.04 -1.02 -2.00 117.51 120.11 1tk0 h ILE 540 Ca 0.31 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1tk0 h ILE 540 Cb 0.43 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1tk0 h ILE 540 CO -0.35 0.16 0.00 1.33 0.00 0.00 0.00 178.15 179.29 1tk0 n VAL 541 N -4.43 0.38 -2.85 1.67 0.24 -0.57 -4.94 118.33 107.83 1tk0 n VAL 541 Ca 0.06 -0.63 -0.11 0.00 -2.04 0.00 0.00 64.34 61.62 1tk0 n VAL 541 Cb 0.06 0.92 0.06 0.00 -1.47 0.00 0.00 33.84 33.40 1tk0 n VAL 541 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tk0 n GLY 542 N 1.41 -0.21 0.00 7.63 0.00 0.81 -5.03 105.19 109.81 1tk0 n GLY 542 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1tk0 n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk0 n ALA 543 N -2.93 0.00 -3.12 4.61 0.00 0.64 -5.00 120.51 114.71 1tk0 n ALA 543 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 1tk0 n ALA 543 Cb 0.60 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.07 1tk0 n ALA 543 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tk0 n GLY 544 N 0.00 2.13 0.23 0.00 0.00 -1.26 -3.97 105.19 102.32 1tk0 n GLY 544 Ca 0.00 -2.17 0.11 0.00 0.00 0.00 0.00 46.02 43.96 1tk0 n GLY 544 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1tk0 h LYS 545 N 0.00 0.00 -0.27 1.61 2.10 -1.85 -2.29 116.57 115.87 1tk0 h LYS 545 Ca -0.08 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.48 1tk0 h LYS 545 Cb 0.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1tk0 h LYS 545 CO 0.11 0.20 -0.21 0.93 -2.00 0.00 0.00 179.45 178.48 1tk0 h GLU 546 N 0.00 0.62 -0.02 0.07 3.07 -1.95 -0.73 114.58 115.64 1tk0 h GLU 546 Ca -0.00 -0.31 -0.09 0.00 -0.50 0.00 0.00 59.36 58.47 1tk0 h GLU 546 Cb 0.75 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1tk0 h GLU 546 CO 0.03 0.90 -0.39 -0.09 -1.40 0.00 0.00 179.01 178.06 1tk0 h ARG 547 N 0.35 0.05 -0.13 2.33 9.65 -1.88 -2.24 114.38 122.51 1tk0 h ARG 547 Ca 0.05 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1tk0 h ARG 547 Cb 0.76 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 1tk0 h ARG 547 CO 0.06 0.43 0.05 0.78 2.80 0.00 0.00 179.97 184.08 1tk0 h GLY 548 N 1.18 0.21 0.90 2.80 0.00 -0.98 -2.74 103.07 104.45 1tk0 h GLY 548 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.23 1tk0 h GLY 548 CO 0.05 0.11 0.45 0.50 0.00 0.00 0.00 176.54 177.66 1tk0 h LYS 549 N 0.04 0.86 -0.03 4.80 1.57 -0.82 -1.87 116.57 121.12 1tk0 h LYS 549 Ca 0.04 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1tk0 h LYS 549 Cb 0.20 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1tk0 h LYS 549 CO -0.00 0.57 -0.21 0.93 -0.57 0.00 0.00 179.45 180.17 1tk0 h GLU 550 N 0.89 -0.31 -0.52 3.15 5.08 -1.27 -2.24 114.58 119.36 1tk0 h GLU 550 Ca 0.28 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1tk0 h GLU 550 Cb -0.01 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1tk0 h GLU 550 CO -0.10 -0.21 0.10 -0.07 -1.00 0.00 0.00 179.01 177.74 1tk0 h LEU 551 N -0.32 0.75 0.73 1.33 -0.00 -1.31 -0.31 115.31 116.18 1tk0 h LEU 551 Ca 0.07 -0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.78 1tk0 h LEU 551 Cb 0.41 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1tk0 h LEU 551 CO -0.21 0.75 -0.48 0.11 -0.00 0.00 0.00 178.44 178.61 1tk0 h LYS 552 N 0.77 -1.11 -0.18 1.13 1.79 -0.95 -1.38 116.57 116.64 1tk0 h LYS 552 Ca 0.17 0.08 -0.09 0.00 -2.18 0.00 0.00 60.65 58.62 1tk0 h LYS 552 Cb 0.32 0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1tk0 h LYS 552 CO 0.00 -0.74 -0.28 1.57 -1.08 0.00 0.00 179.45 178.93 1tk0 h LYS 553 N -1.15 0.34 -0.35 3.15 2.10 -1.41 -1.60 116.57 117.65 1tk0 h LYS 553 Ca -0.10 -0.13 -0.04 0.00 -2.00 0.00 0.00 60.65 58.38 1tk0 h LYS 553 Cb 0.93 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.22 1tk0 h LYS 553 CO 0.08 0.60 0.03 -0.22 -2.00 0.00 0.00 179.45 177.93 1tk0 h LYS 554 N 0.30 0.53 0.00 0.07 3.11 -0.89 -1.37 116.57 118.33 1tk0 h LYS 554 Ca 0.04 -0.11 -0.15 0.00 -2.81 0.00 0.00 60.65 57.63 1tk0 h LYS 554 Cb 0.65 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.77 1tk0 h LYS 554 CO 0.05 0.54 -1.60 1.19 -2.81 0.00 0.00 179.45 176.82 1tk0 n PHE 555 N -4.30 0.67 -0.06 1.91 3.01 -0.53 -3.50 117.46 114.66 1tk0 n PHE 555 Ca 0.02 0.22 -0.15 0.00 1.01 0.00 0.00 57.45 58.54 1tk0 n PHE 555 Cb 0.23 -0.96 -0.06 0.00 -0.01 0.00 0.00 39.48 38.68 1tk0 n PHE 555 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1tk0 h LEU 556 N 0.00 0.83 -0.22 4.37 5.85 -1.15 -3.02 115.31 121.96 1tk0 h LEU 556 Ca -0.17 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.00 1tk0 h LEU 556 Cb 1.50 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1tk0 h LEU 556 CO 0.03 1.23 0.13 -0.33 -0.34 0.00 0.00 178.44 179.16 1tk0 h GLU 557 N 0.46 0.30 -0.88 1.25 3.07 -1.41 -2.17 114.58 115.20 1tk0 h GLU 557 Ca 0.00 -0.03 0.20 0.00 -0.50 0.00 0.00 59.36 59.04 1tk0 h GLU 557 Cb 1.10 -0.06 -0.12 0.00 -0.84 0.00 0.00 28.75 28.83 1tk0 h GLU 557 CO 0.11 0.24 0.39 -0.97 -1.40 0.00 0.00 179.01 177.37 1tk0 h ASN 558 N 0.27 0.34 -2.69 1.42 -1.24 -1.59 -3.28 115.58 108.83 1tk0 h ASN 558 Ca 0.08 0.14 -0.59 0.00 0.71 0.00 0.00 56.30 56.64 1tk0 h ASN 558 Cb 0.01 0.12 -0.39 0.00 0.73 0.00 0.00 38.32 38.79 1tk0 h ASN 558 CO -0.02 0.04 -0.86 0.42 -1.29 0.00 0.00 177.43 175.72 1tk0 s THR 559 N -5.91 0.78 -1.31 -3.57 -4.23 -0.99 -4.97 115.64 95.45 1tk0 s THR 559 Ca -0.12 -2.62 0.12 0.00 -1.18 0.00 0.00 61.69 57.89 1tk0 s THR 559 Cb 0.24 -1.55 0.18 0.00 1.34 0.00 0.00 72.50 72.71 1tk0 s THR 559 CO 0.78 -1.10 1.32 -0.81 -0.54 0.00 0.00 174.62 174.27 1tk0 n PRO 560 N 3.12 0.12 0.18 3.99 -0.04 -0.85 -2.26 135.00 139.26 1tk0 n PRO 560 Ca 0.21 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 1tk0 n PRO 560 Cb 0.42 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.90 1tk0 n PRO 560 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tk0 h ALA 561 N 2.52 1.00 -0.40 0.55 0.00 -1.93 -2.64 119.26 118.35 1tk0 h ALA 561 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1tk0 h ALA 561 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1tk0 h ALA 561 CO 0.00 0.00 0.18 0.82 0.00 0.00 0.00 179.25 180.25 1tk0 h ILE 562 N 0.00 1.19 -0.79 0.00 2.04 -1.79 0.10 117.51 118.26 1tk0 h ILE 562 Ca 0.00 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 1tk0 h ILE 562 Cb 0.49 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1tk0 h ILE 562 CO 0.00 0.21 0.35 0.00 0.00 0.00 0.00 178.15 178.71 1tk0 h ALA 563 N 1.02 1.02 -0.44 1.87 0.00 -1.70 0.41 119.26 121.44 1tk0 h ALA 563 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1tk0 h ALA 563 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1tk0 h ALA 563 CO -0.01 0.60 0.25 0.00 0.00 0.00 0.00 179.25 180.09 1tk0 h ALA 564 N 1.18 0.57 -0.15 0.00 0.00 -1.35 0.14 119.26 119.64 1tk0 h ALA 564 Ca 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1tk0 h ALA 564 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1tk0 h ALA 564 CO -0.03 0.08 0.05 1.25 0.00 0.00 0.00 179.25 180.61 1tk0 h LEU 565 N 0.58 0.22 -0.92 0.00 5.85 -0.46 -1.71 115.31 118.87 1tk0 h LEU 565 Ca 0.16 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.80 1tk0 h LEU 565 Cb 0.04 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 1tk0 h LEU 565 CO -0.03 0.35 0.55 0.03 -0.34 0.00 0.00 178.44 179.00 1tk0 h ARG 566 N 0.08 0.87 -0.08 1.25 3.08 -0.60 -2.04 114.38 116.93 1tk0 h ARG 566 Ca 0.05 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1tk0 h ARG 566 Cb 0.20 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1tk0 h ARG 566 CO -0.00 0.57 -0.01 0.93 -1.07 0.00 0.00 179.97 180.39 1tk0 h GLU 567 N 0.89 0.15 -0.82 0.04 5.08 -0.73 -2.55 114.58 116.65 1tk0 h GLU 567 Ca 0.45 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 1tk0 h GLU 567 Cb 0.42 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1tk0 h GLU 567 CO -0.26 0.45 0.51 0.66 -1.00 0.00 0.00 179.01 179.38 1tk0 h SER 568 N -0.16 0.84 -0.00 1.42 4.64 -0.95 0.27 113.55 119.61 1tk0 h SER 568 Ca 0.02 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1tk0 h SER 568 Cb 0.39 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1tk0 h SER 568 CO 0.01 0.56 -0.08 0.40 -0.87 0.00 0.00 176.83 176.85 1tk0 h ILE 569 N 0.98 0.79 -0.54 0.95 2.04 -1.35 -1.28 117.51 119.10 1tk0 h ILE 569 Ca 0.34 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.25 1tk0 h ILE 569 Cb 0.06 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1tk0 h ILE 569 CO -0.13 0.00 0.28 1.56 0.00 0.00 0.00 178.15 179.85 1tk0 h GLN 570 N -0.14 0.51 0.00 2.37 1.08 -0.97 -1.08 115.11 116.89 1tk0 h GLN 570 Ca 0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1tk0 h GLN 570 Cb 0.18 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1tk0 h GLN 570 CO -0.09 0.34 0.00 0.37 -0.95 0.00 0.00 178.83 178.50 1tk0 h GLN 571 N 0.53 0.00 0.04 1.46 -0.00 -0.58 0.42 115.11 116.99 1tk0 h GLN 571 Ca 0.24 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.59 1tk0 h GLN 571 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.60 1tk0 h GLN 571 CO -0.17 0.00 -1.68 1.15 0.00 0.00 0.00 178.83 178.13 1tk0 h THR 572 N 0.00 0.92 0.01 2.39 2.02 -0.05 -3.41 112.91 114.79 1tk0 h THR 572 Ca 0.00 -2.70 -0.39 0.00 0.77 0.00 0.00 66.41 64.09 1tk0 h THR 572 Cb 0.27 2.53 -0.07 0.00 -1.74 0.00 0.00 68.15 69.14 1tk0 h THR 572 CO 0.00 0.66 -2.44 0.18 0.37 0.00 0.00 175.52 174.30 1tk0 n LEU 573 N -3.23 2.67 -4.78 2.58 4.77 -0.69 -4.28 117.00 114.06 1tk0 n LEU 573 Ca -0.18 -0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.41 1tk0 n LEU 573 Cb 1.04 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1tk0 n LEU 573 CO 0.46 0.89 -0.25 -0.69 -1.33 0.00 0.00 177.39 176.47 1tk0 s VAL 574 N -2.52 4.46 0.00 4.08 1.01 0.11 0.82 120.40 128.36 1tk0 s VAL 574 Ca -0.32 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1tk0 s VAL 574 Cb 0.09 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1tk0 s VAL 574 CO 0.63 0.02 0.00 -1.84 0.00 0.00 0.00 175.10 173.91 1tk0 n GLU 575 N 0.11 4.17 0.00 2.72 0.28 -0.94 -4.63 120.64 122.35 1tk0 n GLU 575 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1tk0 n GLU 575 Cb 0.53 -0.56 0.00 0.00 1.43 0.00 0.00 31.44 32.84 1tk0 n GLU 575 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1tk0 n SER 576 N -0.92 0.00 -1.81 -1.84 3.41 -1.22 -5.03 113.62 106.21 1tk0 n SER 576 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1tk0 n SER 576 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1tk0 n SER 576 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1tk0 n SER 577 N 0.00 -0.76 1.00 4.04 3.41 -1.26 0.28 113.62 120.33 1tk0 n SER 577 Ca 0.00 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 1tk0 n SER 577 Cb 0.00 1.33 0.00 0.00 -0.26 0.00 0.00 64.21 65.28 1tk0 n SER 577 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1tk0 n GLN 584 N -0.24 3.27 -1.19 4.33 0.00 -1.26 -4.90 117.38 117.39 1tk0 n GLN 584 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 1tk0 n GLN 584 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.49 1tk0 n GLN 584 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1tk0 n GLN 585 N 0.00 0.00 -4.33 3.69 1.13 -1.26 -4.97 117.38 111.63 1tk0 n GLN 585 Ca 0.00 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 1tk0 n GLN 585 Cb 0.00 -0.46 -0.09 0.00 0.11 0.00 0.00 30.24 29.80 1tk0 n GLN 585 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1tk0 s VAL 586 N -1.65 3.90 -0.35 5.09 1.01 -1.26 -5.09 120.40 122.06 1tk0 s VAL 586 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1tk0 s VAL 586 Cb 0.00 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1tk0 s VAL 586 CO 0.00 0.34 0.16 -0.54 0.00 0.00 0.00 175.10 175.06 1tk0 s LYS 587 N -1.61 2.87 0.10 2.72 1.02 0.14 -4.96 119.74 120.03 1tk0 s LYS 587 Ca 0.19 -1.03 -0.14 0.00 0.02 0.00 0.00 55.97 55.01 1tk0 s LYS 587 Cb -0.11 -3.60 -0.06 0.00 -0.52 0.00 0.00 37.83 33.53 1tk0 s LYS 587 CO 0.10 -0.62 0.50 -1.58 -0.92 0.00 0.00 175.35 172.83 1tk0 s TRP 588 N 1.52 3.65 -0.10 3.18 0.52 -1.26 -2.21 118.94 124.24 1tk0 s TRP 588 Ca 0.01 1.03 -0.12 0.00 0.02 0.00 0.00 56.10 57.05 1tk0 s TRP 588 Cb -0.19 -2.34 -0.28 0.00 -1.15 0.00 0.00 33.47 29.52 1tk0 s TRP 588 CO 0.05 0.50 0.51 -0.22 0.02 0.00 0.00 176.95 177.81 1tk0 h LYS 589 N 3.89 0.29 -2.01 4.98 3.64 0.13 -3.46 116.57 124.03 1tk0 h LYS 589 Ca -0.49 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.40 1tk0 h LYS 589 Cb 1.20 0.18 -0.21 0.00 -0.41 0.00 0.00 32.23 32.99 1tk0 h LYS 589 CO 0.65 1.23 0.04 0.50 -2.27 0.00 0.00 179.45 179.61 1tk0 s ARG 590 N -2.53 0.74 -0.40 1.90 3.52 -1.11 -5.04 118.95 116.03 1tk0 s ARG 590 Ca -0.20 1.17 0.06 0.00 -0.13 0.00 0.00 55.73 56.63 1tk0 s ARG 590 Cb 0.05 0.20 0.68 0.00 -1.56 0.00 0.00 34.95 34.33 1tk0 s ARG 590 CO 0.79 -0.14 1.84 -2.13 -0.81 0.00 0.00 175.30 174.85 1tk0 n ARG 591 N 3.93 2.66 -3.75 5.12 0.63 -1.26 -4.53 116.66 119.46 1tk0 n ARG 591 Ca -0.19 -3.05 -0.13 0.00 -0.92 0.00 0.00 57.85 53.56 1tk0 n ARG 591 Cb 0.58 -2.16 -0.08 0.00 0.45 0.00 0.00 32.46 31.25 1tk0 n ARG 591 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 1tk0 s TRP 592 N -3.20 -0.18 -0.08 -0.14 1.48 -1.26 -1.60 118.94 113.96 1tk0 s TRP 592 Ca 0.55 0.22 -0.05 0.00 -1.06 0.00 0.00 56.10 55.76 1tk0 s TRP 592 Cb 0.46 0.11 -0.04 0.00 -1.16 0.00 0.00 33.47 32.84 1tk0 s TRP 592 CO 0.11 -0.43 0.15 0.42 -4.06 0.00 0.00 176.95 173.14 1tk0 s ILE 593 N -1.63 5.44 -0.24 0.66 -1.09 0.95 -4.83 121.20 120.46 1tk0 s ILE 593 Ca -0.11 0.07 -0.25 0.00 -2.23 0.00 0.00 60.65 58.12 1tk0 s ILE 593 Cb -0.04 -3.43 -0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1tk0 s ILE 593 CO 0.03 0.52 0.85 -0.75 -1.23 0.00 0.00 174.94 174.35 1tk0 s LYS 594 N -1.34 4.19 1.00 2.79 2.20 -1.26 0.40 119.74 127.73 1tk0 s LYS 594 Ca 0.19 0.98 -0.13 0.00 -0.36 0.00 0.00 55.97 56.65 1tk0 s LYS 594 Cb -0.12 -3.64 0.19 0.00 -1.51 0.00 0.00 37.83 32.75 1tk0 s LYS 594 CO 0.09 -0.52 1.11 0.20 -0.36 0.00 0.00 175.35 175.87 1tk0 s GLY 595 N 1.32 1.57 0.53 5.54 0.00 0.15 -4.87 107.32 111.57 1tk0 s GLY 595 Ca 0.36 -0.49 0.18 0.00 0.00 0.00 0.00 44.72 44.77 1tk0 s GLY 595 CO 0.07 0.14 2.16 1.41 0.00 0.00 0.00 173.10 176.89 1tk0 h LEU 596 N -1.89 0.00 -3.08 0.66 3.38 -1.91 -0.92 115.31 111.56 1tk0 h LEU 596 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1tk0 h LEU 596 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1tk0 h LEU 596 CO 0.56 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.19 1tk0 n ASP 597 N -4.43 4.45 0.00 -0.43 5.68 -1.26 -4.96 116.55 115.60 1tk0 n ASP 597 Ca -0.03 -2.39 0.00 0.00 -0.50 0.00 0.00 54.79 51.87 1tk0 n ASP 597 Cb 0.11 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.55 1tk0 n ASP 597 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tk0 n GLY 598 N 1.01 2.25 3.71 6.12 0.00 -0.35 -3.01 105.19 114.92 1tk0 n GLY 598 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1tk0 n GLY 598 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tk0 s ARG 599 N -0.83 1.36 -0.12 1.61 1.70 -1.26 -4.47 118.95 116.93 1tk0 s ARG 599 Ca 0.00 1.04 -0.23 0.00 -0.47 0.00 0.00 55.73 56.07 1tk0 s ARG 599 Cb 0.00 -1.80 -0.03 0.00 -0.57 0.00 0.00 34.95 32.55 1tk0 s ARG 599 CO 0.00 -2.23 0.69 0.15 -1.08 0.00 0.00 175.30 172.82 1tk0 s LYS 600 N -4.85 4.35 -0.33 3.89 1.02 -1.26 0.33 119.74 122.89 1tk0 s LYS 600 Ca 0.64 0.80 -0.04 0.00 0.02 0.00 0.00 55.97 57.39 1tk0 s LYS 600 Cb -0.19 -3.50 0.05 0.00 -0.52 0.00 0.00 37.83 33.67 1tk0 s LYS 600 CO 0.57 -0.07 0.07 0.08 -0.92 0.00 0.00 175.35 175.09 1tk0 s VAL 601 N 1.29 3.38 0.20 3.17 1.01 0.16 -4.91 120.40 124.71 1tk0 s VAL 601 Ca 0.35 -1.36 -0.32 0.00 0.00 0.00 0.00 61.98 60.65 1tk0 s VAL 601 Cb -0.17 -2.98 -0.11 0.00 0.00 0.00 0.00 36.38 33.12 1tk0 s VAL 601 CO 0.15 -0.22 1.65 -2.28 0.00 0.00 0.00 175.10 174.40 1tk0 s HIS 602 N 1.31 2.95 -0.24 5.22 2.46 -1.26 -0.04 115.29 125.68 1tk0 s HIS 602 Ca -0.02 0.50 -0.10 0.00 0.47 0.00 0.00 55.06 55.91 1tk0 s HIS 602 Cb -0.20 -4.05 -0.05 0.00 -0.13 0.00 0.00 32.58 28.15 1tk0 s HIS 602 CO 0.00 -3.90 0.16 0.08 -2.47 0.00 0.00 174.74 168.61 1tk0 s VAL 603 N 1.00 5.29 -0.00 0.89 1.01 -0.62 -4.87 120.40 123.10 1tk0 s VAL 603 Ca 0.72 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.78 1tk0 s VAL 603 Cb -0.47 -3.47 -0.30 0.00 0.00 0.00 0.00 36.38 32.14 1tk0 s VAL 603 CO 0.34 0.34 0.85 0.03 0.00 0.00 0.00 175.10 176.65 1tk0 h ARG 604 N 7.62 0.34 -2.96 2.72 3.08 -1.94 -3.46 114.38 119.78 1tk0 h ARG 604 Ca -0.38 -0.58 -0.13 0.00 0.07 0.00 0.00 59.98 58.96 1tk0 h ARG 604 Cb 1.17 0.21 -0.23 0.00 0.08 0.00 0.00 29.97 31.21 1tk0 h ARG 604 CO 0.64 1.23 -0.31 0.45 -1.07 0.00 0.00 179.97 180.92 1tk0 s SER 605 N -7.18 -0.29 0.42 7.04 0.15 -1.26 -5.04 113.70 107.54 1tk0 s SER 605 Ca -0.11 0.47 0.15 0.00 0.70 0.00 0.00 55.95 57.16 1tk0 s SER 605 Cb 0.06 0.56 1.04 0.00 -1.71 0.00 0.00 66.02 65.96 1tk0 s SER 605 CO 0.87 -0.23 1.93 -0.65 1.20 0.00 0.00 173.24 176.36 1tk0 h PRO 606 N 4.99 0.42 0.00 5.44 0.11 -2.01 -0.74 132.00 140.21 1tk0 h PRO 606 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1tk0 h PRO 606 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1tk0 h PRO 606 CO 0.33 0.28 0.00 1.12 -0.21 0.00 0.00 178.00 179.52 1tk0 h HIS 607 N 0.43 0.00 -0.23 0.65 2.07 -2.01 -3.02 115.15 113.04 1tk0 h HIS 607 Ca 0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.87 1tk0 h HIS 607 Cb 0.78 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.76 1tk0 h HIS 607 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1tk0 n ALA 608 N -1.85 2.40 -0.10 6.11 0.00 -0.33 -4.61 120.51 122.14 1tk0 n ALA 608 Ca 0.04 -0.87 -0.06 0.00 0.00 0.00 0.00 53.44 52.56 1tk0 n ALA 608 Cb 0.40 -0.66 0.01 0.00 0.00 0.00 0.00 19.45 19.20 1tk0 n ALA 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tk0 h ALA 609 N 3.52 0.34 -0.96 0.00 0.00 -1.29 0.98 119.26 121.85 1tk0 h ALA 609 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1tk0 h ALA 609 Cb 0.81 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1tk0 h ALA 609 CO 0.00 -0.37 0.63 1.25 0.00 0.00 0.00 179.25 180.77 1tk0 h LEU 610 N 0.14 1.08 -0.64 0.00 5.85 -1.81 0.41 115.31 120.34 1tk0 h LEU 610 Ca 0.16 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 1tk0 h LEU 610 Cb 0.20 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1tk0 h LEU 610 CO -0.24 0.77 0.04 -1.13 -0.34 0.00 0.00 178.44 177.54 1tk0 h ASN 611 N 1.27 1.07 -0.37 1.25 -0.73 -1.60 -0.54 115.58 115.93 1tk0 h ASN 611 Ca 0.36 -0.29 0.02 0.00 1.87 0.00 0.00 56.30 58.26 1tk0 h ASN 611 Cb -0.10 -0.29 -0.03 0.00 0.27 0.00 0.00 38.32 38.17 1tk0 h ASN 611 CO -0.09 1.10 0.21 0.74 -0.37 0.00 0.00 177.43 179.02 1tk0 h THR 612 N 1.01 1.02 0.12 -3.57 2.02 0.31 0.39 112.91 114.22 1tk0 h THR 612 Ca 0.18 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1tk0 h THR 612 Cb 0.53 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1tk0 h THR 612 CO 0.03 0.08 -0.06 0.25 0.37 0.00 0.00 175.52 176.18 1tk0 h LEU 613 N 0.43 -0.14 -0.10 2.58 5.85 -0.60 -1.76 115.31 121.56 1tk0 h LEU 613 Ca 0.15 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 1tk0 h LEU 613 Cb 0.02 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.10 1tk0 h LEU 613 CO -0.08 -0.05 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.39 1tk0 h LEU 614 N -0.22 0.63 -1.13 2.25 3.38 -0.95 -2.45 115.31 116.81 1tk0 h LEU 614 Ca -0.02 -0.65 -0.07 0.00 0.09 0.00 0.00 57.88 57.24 1tk0 h LEU 614 Cb 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1tk0 h LEU 614 CO 0.03 1.17 -0.10 -0.61 0.09 0.00 0.00 178.44 179.02 1tk0 h GLN 615 N 0.13 0.49 -0.20 1.13 4.15 -0.28 -1.51 115.11 119.01 1tk0 h GLN 615 Ca -0.04 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.19 1tk0 h GLN 615 Cb 1.16 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 1tk0 h GLN 615 CO 0.11 0.60 -0.11 1.03 -1.93 0.00 0.00 178.83 178.53 1tk0 h SER 616 N 0.46 0.44 -0.40 -0.69 0.87 -1.35 -0.81 113.55 112.08 1tk0 h SER 616 Ca 0.09 -0.42 0.02 0.00 -1.23 0.00 0.00 61.79 60.25 1tk0 h SER 616 Cb 0.45 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1tk0 h SER 616 CO 0.02 0.77 0.22 0.00 -0.53 0.00 0.00 176.83 177.31 1tk0 h ALA 617 N 0.69 0.50 -0.24 6.23 0.00 -1.26 0.13 119.26 125.32 1tk0 h ALA 617 Ca 0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1tk0 h ALA 617 Cb 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1tk0 h ALA 617 CO 0.03 -0.12 -0.18 0.78 0.00 0.00 0.00 179.25 179.77 1tk0 h GLY 618 N 0.46 0.45 1.28 0.00 0.00 -1.23 -0.77 103.07 103.26 1tk0 h GLY 618 Ca 0.16 -0.33 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 1tk0 h GLY 618 CO -0.08 0.30 -0.61 0.00 0.00 0.00 0.00 176.54 176.15 1tk0 h ALA 619 N 1.43 0.51 -0.00 3.60 0.00 -0.43 -1.96 119.26 122.41 1tk0 h ALA 619 Ca 0.07 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1tk0 h ALA 619 Cb 0.54 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1tk0 h ALA 619 CO 0.04 0.69 -0.81 -0.07 0.00 0.00 0.00 179.25 179.09 1tk0 h LEU 620 N 0.55 0.14 -0.08 0.00 3.38 -0.56 -1.23 115.31 117.51 1tk0 h LEU 620 Ca -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1tk0 h LEU 620 Cb 1.20 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1tk0 h LEU 620 CO 0.13 0.89 -0.00 0.40 0.09 0.00 0.00 178.44 179.95 1tk0 h ILE 621 N 0.07 1.25 -0.20 1.22 2.04 -1.13 -1.67 117.51 119.09 1tk0 h ILE 621 Ca -0.03 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 1tk0 h ILE 621 Cb 1.42 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 1tk0 h ILE 621 CO 0.12 0.22 -0.11 0.00 0.00 0.00 0.00 178.15 178.37 1tk0 h LYS 623 N 0.30 0.39 -0.04 0.00 3.64 -1.08 -1.52 116.57 118.26 1tk0 h LYS 623 Ca 0.06 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 1tk0 h LYS 623 Cb 0.39 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1tk0 h LYS 623 CO 0.02 0.71 -0.36 1.25 -2.27 0.00 0.00 179.45 178.80 1tk0 h LEU 624 N 0.06 0.07 -0.03 5.20 6.46 -1.08 -2.89 115.31 123.10 1tk0 h LEU 624 Ca 0.04 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1tk0 h LEU 624 Cb 0.61 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1tk0 h LEU 624 CO 0.03 0.43 0.01 -0.25 -0.62 0.00 0.00 178.44 178.05 1tk0 h TRP 625 N 0.06 0.05 -0.22 1.25 7.01 -0.56 0.07 115.95 123.61 1tk0 h TRP 625 Ca 0.01 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.93 1tk0 h TRP 625 Cb 0.67 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.71 1tk0 h TRP 625 CO 0.00 0.16 -0.19 -0.84 -2.79 0.00 0.00 178.44 174.78 1tk0 h ILE 626 N -0.08 1.24 -0.04 2.65 3.07 -1.20 0.67 117.51 123.81 1tk0 h ILE 626 Ca 0.01 -1.08 -0.01 0.00 1.55 0.00 0.00 64.86 65.33 1tk0 h ILE 626 Cb 0.14 1.29 -0.00 0.00 -0.27 0.00 0.00 36.82 37.97 1tk0 h ILE 626 CO -0.00 0.34 0.01 0.40 -1.05 0.00 0.00 178.15 177.85 1tk0 h ILE 627 N 0.35 1.22 -0.40 0.16 2.04 -1.36 -2.34 117.51 117.19 1tk0 h ILE 627 Ca 0.06 -0.67 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 1tk0 h ILE 627 Cb 0.55 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1tk0 h ILE 627 CO 0.04 0.18 -0.07 0.50 0.00 0.00 0.00 178.15 178.79 1tk0 h LYS 628 N -0.19 0.68 -0.14 2.37 1.63 -0.67 -2.11 116.57 118.14 1tk0 h LYS 628 Ca 0.01 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1tk0 h LYS 628 Cb 0.29 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1tk0 h LYS 628 CO 0.00 0.75 0.07 1.15 -3.45 0.00 0.00 179.45 177.97 1tk0 h THR 629 N 0.63 1.12 -0.68 1.00 2.02 -0.79 -0.34 112.91 115.86 1tk0 h THR 629 Ca 0.12 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 1tk0 h THR 629 Cb 0.50 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1tk0 h THR 629 CO 0.03 0.11 0.14 -0.08 0.37 0.00 0.00 175.52 176.09 1tk0 h GLU 630 N 0.11 1.10 -0.64 6.66 4.81 -1.27 -1.69 114.58 123.65 1tk0 h GLU 630 Ca 0.05 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1tk0 h GLU 630 Cb 0.11 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1tk0 h GLU 630 CO -0.01 0.99 0.25 1.49 -0.73 0.00 0.00 179.01 181.00 1tk0 h GLU 631 N 1.03 0.97 -0.46 1.92 4.81 -1.22 -0.79 114.58 120.83 1tk0 h GLU 631 Ca 0.21 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1tk0 h GLU 631 Cb 0.40 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1tk0 h GLU 631 CO 0.01 0.82 0.01 0.52 -0.73 0.00 0.00 179.01 179.63 1tk0 h MET 632 N 0.91 0.76 -0.43 1.92 2.86 -0.82 -0.51 114.93 119.61 1tk0 h MET 632 Ca 0.21 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1tk0 h MET 632 Cb 0.22 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1tk0 h MET 632 CO -0.02 0.76 0.01 -0.07 1.06 0.00 0.00 176.91 178.65 1tk0 h LEU 633 N 0.71 0.74 -0.16 1.22 3.38 -0.88 -2.48 115.31 117.84 1tk0 h LEU 633 Ca 0.14 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1tk0 h LEU 633 Cb 0.42 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1tk0 h LEU 633 CO 0.02 0.86 0.08 0.58 0.09 0.00 0.00 178.44 180.07 1tk0 h VAL 634 N 0.60 1.12 0.00 1.22 2.07 -0.79 -1.77 116.25 118.70 1tk0 h VAL 634 Ca 0.12 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1tk0 h VAL 634 Cb 0.48 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1tk0 h VAL 634 CO 0.02 0.12 0.00 -1.84 0.02 0.00 0.00 177.57 175.89 1tk0 n GLU 635 N -4.90 0.11 0.00 1.57 0.28 -0.23 -0.55 120.64 116.93 1tk0 n GLU 635 Ca -0.04 0.21 0.12 0.00 -0.16 0.00 0.00 57.16 57.29 1tk0 n GLU 635 Cb 0.09 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 31.71 1tk0 n GLU 635 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1tk0 n LYS 636 N -1.36 0.80 0.00 3.44 5.02 -0.72 -4.95 118.16 120.38 1tk0 n LYS 636 Ca 0.05 -0.54 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 1tk0 n LYS 636 Cb 0.12 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1tk0 n LYS 636 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tk0 n GLY 637 N 1.38 0.49 3.79 0.72 0.00 0.29 -5.08 105.19 106.79 1tk0 n GLY 637 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1tk0 n GLY 637 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tk0 s LEU 638 N 0.00 4.00 -0.13 0.99 2.01 -0.85 -4.99 118.68 119.70 1tk0 s LEU 638 Ca 0.00 1.97 -0.03 0.00 0.01 0.00 0.00 54.13 56.08 1tk0 s LEU 638 Cb 0.00 -4.37 -0.03 0.00 0.01 0.00 0.00 46.19 41.80 1tk0 s LEU 638 CO 0.00 -0.62 -0.02 -0.75 1.01 0.00 0.00 176.35 175.98 1tk0 s LYS 639 N -2.85 3.44 -0.46 1.70 2.20 -1.26 -4.17 119.74 118.34 1tk0 s LYS 639 Ca 0.62 -0.47 -0.24 0.00 -0.36 0.00 0.00 55.97 55.53 1tk0 s LYS 639 Cb -0.19 -2.89 0.03 0.00 -1.51 0.00 0.00 37.83 33.26 1tk0 s LYS 639 CO 0.23 0.41 0.85 -1.58 -0.36 0.00 0.00 175.35 174.91 1tk0 s HIS 640 N -0.09 2.95 0.00 4.03 5.65 -1.26 -0.91 115.29 125.66 1tk0 s HIS 640 Ca 0.03 0.24 0.00 0.00 0.25 0.00 0.00 55.06 55.58 1tk0 s HIS 640 Cb -0.13 -3.81 0.00 0.00 -1.18 0.00 0.00 32.58 27.46 1tk0 s HIS 640 CO 0.02 -1.05 0.00 0.41 -0.65 0.00 0.00 174.74 173.47 1tk0 n GLY 641 N 4.97 3.40 0.22 1.59 0.00 0.12 -4.87 105.19 110.63 1tk0 n GLY 641 Ca 0.04 -1.16 0.15 0.00 0.00 0.00 0.00 46.02 45.05 1tk0 n GLY 641 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1tk0 h TRP 642 N 0.00 0.00 -0.54 1.61 4.06 -1.92 -0.46 115.95 118.70 1tk0 h TRP 642 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1tk0 h TRP 642 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1tk0 h TRP 642 CO 0.00 0.00 0.00 -0.40 -3.56 0.00 0.00 178.44 174.48 1tk0 n ASP 643 N -2.74 4.49 0.00 -3.49 5.75 -1.26 -4.63 116.55 114.67 1tk0 n ASP 643 Ca 0.01 -2.52 0.00 0.00 -0.01 0.00 0.00 54.79 52.27 1tk0 n ASP 643 Cb 0.25 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1tk0 n ASP 643 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tk0 n GLY 644 N 0.88 3.29 0.02 6.12 0.00 -0.18 -5.08 105.19 110.24 1tk0 n GLY 644 Ca 0.23 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 1tk0 n GLY 644 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tk0 n ASP 645 N 0.00 3.82 -3.78 1.61 8.00 -0.09 -4.84 116.55 121.27 1tk0 n ASP 645 Ca 0.00 -0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.40 1tk0 n ASP 645 Cb 0.00 0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 41.43 1tk0 n ASP 645 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1tk0 s PHE 646 N -2.11 0.04 -0.14 1.24 -0.71 -0.99 -1.38 117.98 113.93 1tk0 s PHE 646 Ca -0.04 -0.43 -0.06 0.00 -1.04 0.00 0.00 56.93 55.37 1tk0 s PHE 646 Cb 0.01 0.06 0.06 0.00 -1.21 0.00 0.00 43.02 41.95 1tk0 s PHE 646 CO 0.16 -0.62 0.31 0.00 -1.34 0.00 0.00 175.22 173.74 1tk0 s ALA 647 N -3.85 -0.76 0.23 1.99 0.00 -0.23 0.15 121.76 119.30 1tk0 s ALA 647 Ca 0.05 1.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 1tk0 s ALA 647 Cb 0.04 -0.97 -0.10 0.00 0.00 0.00 0.00 23.12 22.09 1tk0 s ALA 647 CO -0.10 -0.49 1.50 0.71 0.00 0.00 0.00 175.76 177.38 1tk0 s TYR 648 N 1.99 2.99 -0.05 0.00 1.51 -1.26 -1.06 117.35 121.47 1tk0 s TYR 648 Ca -0.04 0.88 0.04 0.00 -1.01 0.00 0.00 57.07 56.95 1tk0 s TYR 648 Cb -0.11 -3.89 -0.06 0.00 -0.11 0.00 0.00 41.96 37.79 1tk0 s TYR 648 CO -0.10 -3.01 0.02 -1.33 -1.11 0.00 0.00 175.55 170.02 1tk0 n MET 649 N 2.75 3.16 -3.58 -0.62 2.81 -0.68 -4.57 117.12 116.39 1tk0 n MET 649 Ca 0.09 -0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.85 1tk0 n MET 649 Cb 0.39 -1.13 -0.06 0.00 -0.71 0.00 0.00 33.22 31.72 1tk0 n MET 649 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tk0 s ALA 650 N -2.12 -1.88 -0.21 3.04 0.00 -1.14 -4.46 121.76 114.99 1tk0 s ALA 650 Ca -0.02 1.60 -0.00 0.00 0.00 0.00 0.00 51.96 53.54 1tk0 s ALA 650 Cb 0.01 -0.68 0.06 0.00 0.00 0.00 0.00 23.12 22.51 1tk0 s ALA 650 CO 0.20 -0.32 -0.03 -0.46 0.00 0.00 0.00 175.76 175.15 1tk0 s TRP 651 N -0.76 1.93 -0.78 0.00 -0.00 -1.26 -1.41 118.94 116.65 1tk0 s TRP 651 Ca -0.03 -1.40 0.03 0.00 -0.00 0.00 0.00 56.10 54.69 1tk0 s TRP 651 Cb -0.02 -1.39 0.20 0.00 -0.00 0.00 0.00 33.47 32.26 1tk0 s TRP 651 CO 0.03 -0.70 0.64 0.28 -0.00 0.00 0.00 176.95 177.19 1tk0 n VAL 652 N 4.80 2.27 0.00 5.86 0.31 0.25 -4.94 118.33 126.88 1tk0 n VAL 652 Ca -0.11 -5.01 0.00 0.00 -0.01 0.00 0.00 64.34 59.21 1tk0 n VAL 652 Cb 0.46 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 1tk0 n VAL 652 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1tk0 n HIS 653 N 1.97 0.00 -1.85 3.52 8.25 -1.26 -2.81 115.22 123.04 1tk0 n HIS 653 Ca 0.22 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.72 1tk0 n HIS 653 Cb 0.36 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.63 1tk0 n HIS 653 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1tk0 n ASP 654 N 1.80 1.61 -3.80 0.41 5.75 -1.26 -4.81 116.55 116.25 1tk0 n ASP 654 Ca 0.00 -3.40 -0.12 0.00 -0.01 0.00 0.00 54.79 51.26 1tk0 n ASP 654 Cb 0.00 -0.47 -0.11 0.00 -1.03 0.00 0.00 41.12 39.51 1tk0 n ASP 654 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1tk0 s GLU 655 N -2.42 0.34 0.02 0.11 -1.05 -1.12 -0.70 118.70 113.87 1tk0 s GLU 655 Ca 0.37 0.18 0.07 0.00 -0.15 0.00 0.00 54.97 55.44 1tk0 s GLU 655 Cb 0.38 0.16 -0.02 0.00 -0.44 0.00 0.00 34.13 34.20 1tk0 s GLU 655 CO -0.09 -0.06 -0.20 0.96 0.95 0.00 0.00 175.26 176.82 1tk0 s ILE 656 N -0.22 1.58 -0.13 1.83 -4.36 -0.41 -0.58 121.20 118.90 1tk0 s ILE 656 Ca -0.03 -1.05 0.01 0.00 -0.26 0.00 0.00 60.65 59.32 1tk0 s ILE 656 Cb -0.03 -1.35 -0.01 0.00 1.25 0.00 0.00 42.46 42.32 1tk0 s ILE 656 CO 0.01 0.27 -0.17 -1.10 0.24 0.00 0.00 174.94 174.20 1tk0 s GLN 657 N -0.91 3.23 -0.08 0.37 -1.52 -0.50 -1.57 119.66 118.67 1tk0 s GLN 657 Ca 0.07 -0.76 0.01 0.00 -1.95 0.00 0.00 55.36 52.73 1tk0 s GLN 657 Cb -0.08 -2.55 0.02 0.00 -0.22 0.00 0.00 33.01 30.18 1tk0 s GLN 657 CO 0.01 0.12 -0.08 0.08 -0.25 0.00 0.00 175.29 175.16 1tk0 s VAL 658 N 0.56 0.93 0.27 1.09 1.01 -0.08 -1.69 120.40 122.50 1tk0 s VAL 658 Ca -0.10 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1tk0 s VAL 658 Cb -0.16 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 1tk0 s VAL 658 CO 0.04 0.33 1.00 -0.83 0.00 0.00 0.00 175.10 175.63 1tk0 s GLY 659 N 1.15 3.04 -0.03 4.51 0.00 -0.23 -0.76 107.32 115.01 1tk0 s GLY 659 Ca -0.06 0.70 0.02 0.00 0.00 0.00 0.00 44.72 45.38 1tk0 s GLY 659 CO -0.02 1.25 -0.09 0.00 0.00 0.00 0.00 173.10 174.25 1tk0 h ARG 661 N 6.39 0.27 -4.27 0.00 2.43 -1.50 0.24 114.38 117.94 1tk0 h ARG 661 Ca -0.33 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.67 1tk0 h ARG 661 Cb 1.17 -0.06 -0.15 0.00 -0.42 0.00 0.00 29.97 30.52 1tk0 h ARG 661 CO 0.49 0.18 -0.59 0.95 -1.51 0.00 0.00 179.97 179.48 1tk0 s THR 662 N -5.28 0.13 0.17 0.20 -4.23 -1.26 -4.62 115.64 100.75 1tk0 s THR 662 Ca -0.07 -1.77 -0.13 0.00 -1.18 0.00 0.00 61.69 58.54 1tk0 s THR 662 Cb 0.17 -1.86 0.06 0.00 1.34 0.00 0.00 72.50 72.22 1tk0 s THR 662 CO 0.70 -0.57 1.77 -0.33 -0.54 0.00 0.00 174.62 175.65 1tk0 h GLU 663 N 2.88 0.77 -0.88 3.99 5.08 -1.96 -1.80 114.58 122.66 1tk0 h GLU 663 Ca -0.34 -0.10 0.10 0.00 -1.00 0.00 0.00 59.36 58.02 1tk0 h GLU 663 Cb 1.19 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.22 1tk0 h GLU 663 CO 0.59 0.61 0.52 1.49 -1.00 0.00 0.00 179.01 181.22 1tk0 h GLU 664 N 0.73 0.84 -0.36 2.33 4.81 -1.99 0.60 114.58 121.54 1tk0 h GLU 664 Ca 0.19 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1tk0 h GLU 664 Cb 0.08 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1tk0 h GLU 664 CO -0.03 0.55 -0.17 0.82 -0.73 0.00 0.00 179.01 179.46 1tk0 h ILE 665 N 0.86 1.26 -0.45 2.32 2.04 -1.84 -1.74 117.51 119.95 1tk0 h ILE 665 Ca 0.43 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1tk0 h ILE 665 Cb 0.39 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1tk0 h ILE 665 CO -0.25 0.40 0.17 0.00 0.00 0.00 0.00 178.15 178.47 1tk0 h ALA 666 N 1.22 0.59 -0.87 1.87 0.00 -0.22 0.11 119.26 121.95 1tk0 h ALA 666 Ca 0.10 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1tk0 h ALA 666 Cb 0.62 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1tk0 h ALA 666 CO 0.04 0.20 0.57 0.37 0.00 0.00 0.00 179.25 180.44 1tk0 h GLN 667 N 0.59 1.10 -0.30 0.00 4.15 -0.69 -0.93 115.11 119.02 1tk0 h GLN 667 Ca 0.15 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.39 1tk0 h GLN 667 Cb 0.21 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1tk0 h GLN 667 CO -0.01 0.73 -0.29 0.28 -1.93 0.00 0.00 178.83 177.61 1tk0 h VAL 668 N 1.13 1.28 -0.33 2.39 2.07 -0.71 -1.80 116.25 120.28 1tk0 h VAL 668 Ca 0.33 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 1tk0 h VAL 668 Cb -0.06 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1tk0 h VAL 668 CO -0.09 0.45 0.04 0.58 0.02 0.00 0.00 177.57 178.57 1tk0 h VAL 669 N 0.54 1.24 -0.35 2.57 2.07 -0.14 0.36 116.25 122.54 1tk0 h VAL 669 Ca 0.07 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1tk0 h VAL 669 Cb 0.77 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1tk0 h VAL 669 CO 0.06 0.28 0.22 0.40 0.02 0.00 0.00 177.57 178.56 1tk0 h ILE 670 N 0.38 1.07 -0.42 4.57 2.04 -1.09 0.17 117.51 124.22 1tk0 h ILE 670 Ca 0.10 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 1tk0 h ILE 670 Cb 0.37 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1tk0 h ILE 670 CO 0.01 0.08 -0.20 -0.33 0.00 0.00 0.00 178.15 177.71 1tk0 h GLU 671 N 0.45 0.83 -0.28 2.37 5.08 -1.22 -2.83 114.58 118.98 1tk0 h GLU 671 Ca 0.13 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 1tk0 h GLU 671 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1tk0 h GLU 671 CO -0.05 0.95 -0.29 1.15 -1.00 0.00 0.00 179.01 179.78 1tk0 h THR 672 N 0.72 1.28 -0.70 1.13 2.02 -0.57 -1.89 112.91 114.90 1tk0 h THR 672 Ca 0.10 -1.38 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 1tk0 h THR 672 Cb 0.72 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1tk0 h THR 672 CO 0.06 0.44 0.29 0.00 0.37 0.00 0.00 175.52 176.68 1tk0 h ALA 673 N 1.19 1.20 -0.15 6.16 0.00 -0.49 -0.32 119.26 126.86 1tk0 h ALA 673 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1tk0 h ALA 673 Cb 0.75 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1tk0 h ALA 673 CO 0.06 0.59 -0.02 0.37 0.00 0.00 0.00 179.25 180.25 1tk0 h GLN 674 N 1.00 0.28 -0.39 0.00 5.75 -1.25 -1.60 115.11 118.90 1tk0 h GLN 674 Ca 0.24 -0.10 0.05 0.00 -0.15 0.00 0.00 58.65 58.69 1tk0 h GLN 674 Cb 0.17 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.65 1tk0 h GLN 674 CO -0.02 0.53 0.13 0.93 -2.65 0.00 0.00 178.83 177.75 1tk0 h GLU 675 N -0.00 0.27 -0.88 1.69 5.08 -1.04 -1.89 114.58 117.82 1tk0 h GLU 675 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1tk0 h GLU 675 Cb 0.42 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1tk0 h GLU 675 CO 0.01 0.18 0.55 0.00 -1.00 0.00 0.00 179.01 178.75 1tk0 h ALA 676 N 1.26 1.32 -0.36 3.43 0.00 -0.96 -0.98 119.26 122.98 1tk0 h ALA 676 Ca 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1tk0 h ALA 676 Cb 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1tk0 h ALA 676 CO -0.20 0.60 0.14 1.98 0.00 0.00 0.00 179.25 181.78 1tk0 h MET 677 N 1.20 0.54 -0.55 0.00 1.85 -0.64 -0.56 114.93 116.76 1tk0 h MET 677 Ca 0.32 -0.10 -0.02 0.00 -0.61 0.00 0.00 59.70 59.29 1tk0 h MET 677 Cb -0.09 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 31.83 1tk0 h MET 677 CO -0.06 0.52 0.26 0.00 -0.40 0.00 0.00 176.91 177.23 1tk0 h ARG 678 N 0.43 0.77 -0.60 0.39 2.47 -0.95 -1.30 114.38 115.59 1tk0 h ARG 678 Ca 0.12 -0.10 -0.06 0.00 -1.26 0.00 0.00 59.98 58.68 1tk0 h ARG 678 Cb 0.19 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 1tk0 h ARG 678 CO -0.01 0.60 0.13 2.35 0.56 0.00 0.00 179.97 183.60 1tk0 h TRP 679 N 0.77 1.02 -0.41 3.04 7.01 -0.65 -1.43 115.95 125.31 1tk0 h TRP 679 Ca 0.19 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 1tk0 h TRP 679 Cb 0.09 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.85 1tk0 h TRP 679 CO 0.01 0.87 0.16 0.28 -2.79 0.00 0.00 178.44 176.97 1tk0 h VAL 680 N 0.88 1.20 -0.38 2.65 2.07 -0.29 0.32 116.25 122.70 1tk0 h VAL 680 Ca 0.19 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1tk0 h VAL 680 Cb 0.38 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1tk0 h VAL 680 CO 0.01 0.22 0.14 1.23 0.02 0.00 0.00 177.57 179.19 1tk0 h GLY 681 N 0.51 0.48 1.15 2.17 0.00 -1.02 -1.93 103.07 104.44 1tk0 h GLY 681 Ca 0.14 -0.08 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 1tk0 h GLY 681 CO -0.01 0.04 -0.05 -1.80 0.00 0.00 0.00 176.54 174.72 1tk0 h ASP 682 N 0.30 0.99 -0.94 0.19 3.58 -1.02 -1.28 116.42 118.24 1tk0 h ASP 682 Ca 0.17 -0.30 0.16 0.00 0.42 0.00 0.00 57.03 57.48 1tk0 h ASP 682 Cb 0.14 -0.27 -0.08 0.00 1.72 0.00 0.00 39.33 40.84 1tk0 h ASP 682 CO -0.17 1.07 0.60 -0.74 -2.88 0.00 0.00 179.24 177.12 1tk0 h HIS 683 N 0.91 0.90 -0.37 0.28 2.76 0.39 -2.01 115.15 118.02 1tk0 h HIS 683 Ca 0.15 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.24 1tk0 h HIS 683 Cb 0.60 -0.28 -0.07 0.00 1.55 0.00 0.00 27.41 29.21 1tk0 h HIS 683 CO 0.04 0.30 0.02 0.91 -1.30 0.00 0.00 177.93 177.90 1tk0 n TRP 684 N -4.61 1.21 -4.14 5.26 8.01 -0.90 -4.97 117.44 117.29 1tk0 n TRP 684 Ca 0.19 -1.25 -0.31 0.00 -1.31 0.00 0.00 57.50 54.83 1tk0 n TRP 684 Cb 0.50 -0.44 -0.04 0.00 -2.01 0.00 0.00 31.31 29.32 1tk0 n TRP 684 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1tk0 n ASN 685 N -0.78 -1.41 -4.76 -0.99 3.02 -0.76 -4.88 115.26 104.70 1tk0 n ASN 685 Ca 0.29 -1.06 -0.38 0.00 -0.03 0.00 0.00 54.58 53.40 1tk0 n ASN 685 Cb 1.02 -2.67 0.01 0.00 -0.61 0.00 0.00 39.78 37.53 1tk0 n ASN 685 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1tk0 s PHE 686 N -3.72 2.68 -2.31 3.10 5.36 -0.51 -4.91 117.98 117.67 1tk0 s PHE 686 Ca 0.34 1.43 0.22 0.00 -0.96 0.00 0.00 56.93 57.96 1tk0 s PHE 686 Cb -0.18 -3.63 0.76 0.00 -0.34 0.00 0.00 43.02 39.63 1tk0 s PHE 686 CO 0.93 -2.16 1.56 0.54 -1.46 0.00 0.00 175.22 174.62 1tk0 n ARG 687 N -0.38 1.75 -4.38 10.12 5.12 -1.26 -4.77 116.66 122.87 1tk0 n ARG 687 Ca 0.07 -1.13 -0.20 0.00 -1.93 0.00 0.00 57.85 54.65 1tk0 n ARG 687 Cb 0.45 -1.41 -0.15 0.00 -1.16 0.00 0.00 32.46 30.19 1tk0 n ARG 687 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1tk0 s LEU 689 N 0.21 4.41 -0.12 0.00 2.96 -1.26 -5.00 118.68 119.88 1tk0 s LEU 689 Ca -0.03 2.54 -0.06 0.00 -0.22 0.00 0.00 54.13 56.36 1tk0 s LEU 689 Cb -0.08 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1tk0 s LEU 689 CO 0.00 -0.59 0.10 -0.76 -1.32 0.00 0.00 176.35 173.79 1tk0 s LEU 690 N -0.46 4.16 0.25 -0.68 1.43 -1.26 -5.05 118.68 117.07 1tk0 s LEU 690 Ca 0.56 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1tk0 s LEU 690 Cb -0.39 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 1tk0 s LEU 690 CO 0.42 0.38 0.09 -1.81 0.23 0.00 0.00 176.35 175.66 1tk0 s ASP 691 N -0.88 1.16 0.09 2.29 1.01 -1.26 -4.44 116.67 114.64 1tk0 s ASP 691 Ca 0.14 -1.36 -0.00 0.00 0.71 0.00 0.00 52.55 52.04 1tk0 s ASP 691 Cb -0.12 0.16 -0.04 0.00 1.01 0.00 0.00 42.92 43.94 1tk0 s ASP 691 CO 0.03 -0.72 -0.01 0.42 0.21 0.00 0.00 175.17 175.10 1tk0 s THR 692 N -3.76 0.35 -0.07 -1.27 -4.23 -1.26 -1.52 115.64 103.88 1tk0 s THR 692 Ca 0.36 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1tk0 s THR 692 Cb 0.08 -1.75 0.02 0.00 1.34 0.00 0.00 72.50 72.18 1tk0 s THR 692 CO 0.13 -0.78 -0.08 -0.70 -0.54 0.00 0.00 174.62 172.64 1tk0 s GLU 693 N -3.93 1.35 0.08 3.99 2.12 -0.07 -4.82 118.70 117.43 1tk0 s GLU 693 Ca 0.14 -0.26 0.08 0.00 0.36 0.00 0.00 54.97 55.29 1tk0 s GLU 693 Cb 0.07 -1.27 -0.04 0.00 0.26 0.00 0.00 34.13 33.15 1tk0 s GLU 693 CO -0.04 -0.10 -0.16 0.20 -0.54 0.00 0.00 175.26 174.61 1tk0 s GLY 694 N 1.09 1.67 -0.03 -1.50 0.00 -1.26 -1.32 107.32 105.97 1tk0 s GLY 694 Ca -0.07 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.39 1tk0 s GLY 694 CO -0.01 -1.20 -0.02 0.54 0.00 0.00 0.00 173.10 172.40 1tk0 s LYS 695 N -1.85 0.49 -0.06 2.90 1.02 0.98 -4.97 119.74 118.25 1tk0 s LYS 695 Ca 0.17 -0.04 -0.03 0.00 0.02 0.00 0.00 55.97 56.10 1tk0 s LYS 695 Cb -0.11 -0.57 -0.04 0.00 -0.52 0.00 0.00 37.83 36.60 1tk0 s LYS 695 CO 0.09 -0.06 0.08 1.41 -0.92 0.00 0.00 175.35 175.95 1tk0 s MET 696 N 0.73 3.17 -0.10 1.68 -2.45 -1.26 -0.44 119.30 120.63 1tk0 s MET 696 Ca -0.08 -0.36 -0.31 0.00 -1.25 0.00 0.00 55.69 53.69 1tk0 s MET 696 Cb -0.11 -2.95 0.10 0.00 1.25 0.00 0.00 34.83 33.12 1tk0 s MET 696 CO -0.01 0.70 1.38 0.20 1.05 0.00 0.00 175.02 178.35 1tk0 s GLY 697 N -1.35 -0.24 0.21 2.11 0.00 -0.41 -4.84 107.32 102.80 1tk0 s GLY 697 Ca 0.19 0.23 0.12 0.00 0.00 0.00 0.00 44.72 45.26 1tk0 s GLY 697 CO 0.09 6.46 1.35 -0.56 0.00 0.00 0.00 173.10 180.43 1tk0 h PRO 698 N 2.00 0.00 0.00 2.90 0.13 -1.91 0.40 132.00 135.52 1tk0 h PRO 698 Ca -0.20 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.74 1tk0 h PRO 698 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1tk0 h PRO 698 CO 0.29 0.67 -0.08 0.27 -0.23 0.00 0.00 178.00 178.93 1tk0 n ASN 699 N -3.25 -1.08 0.26 1.44 0.23 -1.26 -1.17 115.26 110.42 1tk0 n ASN 699 Ca 0.01 -2.38 0.14 0.00 -0.53 0.00 0.00 54.58 51.81 1tk0 n ASN 699 Cb 0.82 1.99 0.64 0.00 -2.08 0.00 0.00 39.78 41.14 1tk0 n ASN 699 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1tk0 h TRP 700 N 1.75 0.00 0.00 -2.53 2.91 -0.69 -1.20 115.95 116.19 1tk0 h TRP 700 Ca -0.21 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 59.71 1tk0 h TRP 700 Cb 0.89 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.52 1tk0 h TRP 700 CO 0.00 0.11 -0.47 0.00 -1.03 0.00 0.00 178.44 177.05 1tk0 h ALA 701 N 1.89 1.14 0.00 2.65 0.00 -1.79 -3.23 119.26 119.92 1tk0 h ALA 701 Ca -0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 1tk0 h ALA 701 Cb 0.54 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1tk0 h ALA 701 CO 0.01 0.59 -2.04 -0.89 0.00 0.00 0.00 179.25 176.93 1tk0 n ILE 702 N -3.86 1.17 -0.50 0.00 5.41 -1.04 -4.50 119.36 116.03 1tk0 n ILE 702 Ca -0.01 -0.76 -0.16 0.00 1.00 0.00 0.00 62.75 62.82 1tk0 n ILE 702 Cb 0.51 -0.53 0.12 0.00 -0.71 0.00 0.00 39.64 39.04 1tk0 n ILE 702 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55