#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrd s LYS 2 N 0.00 4.22 -0.08 3.17 -0.14 -1.26 -0.44 119.74 125.21 3hrd s LYS 2 Ca 0.00 0.18 0.02 0.00 -1.36 0.00 0.00 55.97 54.81 3hrd s LYS 2 Cb 0.00 -3.49 0.01 0.00 -1.68 0.00 0.00 37.83 32.67 3hrd s LYS 2 CO 0.00 0.08 -0.14 0.15 -0.76 0.00 0.00 175.35 174.68 3hrd s LYS 3 N 0.94 1.88 0.20 1.68 1.02 0.98 -4.94 119.74 121.50 3hrd s LYS 3 Ca 0.19 -0.47 0.05 0.00 0.02 0.00 0.00 55.97 55.76 3hrd s LYS 3 Cb -0.14 -1.56 -0.04 0.00 -0.52 0.00 0.00 37.83 35.58 3hrd s LYS 3 CO 0.07 0.02 0.23 1.03 -0.92 0.00 0.00 175.35 175.78 3hrd s ARG 4 N 0.72 3.14 0.18 1.68 0.52 -1.26 0.10 118.95 124.04 3hrd s ARG 4 Ca -0.13 -0.83 -0.18 0.00 -0.52 0.00 0.00 55.73 54.06 3hrd s ARG 4 Cb -0.16 -2.75 0.04 0.00 0.52 0.00 0.00 34.95 32.60 3hrd s ARG 4 CO 0.03 0.46 0.53 0.20 0.02 0.00 0.00 175.30 176.54 3hrd s GLY 5 N -3.50 -0.22 0.02 -3.53 0.00 -0.72 -4.17 107.32 95.20 3hrd s GLY 5 Ca 0.33 -0.07 0.05 0.00 0.00 0.00 0.00 44.72 45.04 3hrd s GLY 5 CO 0.26 -0.18 -0.16 0.54 0.00 0.00 0.00 173.10 173.56 3hrd s LYS 6 N -3.84 1.19 0.01 2.90 1.02 -1.26 -1.46 119.74 118.31 3hrd s LYS 6 Ca 0.07 -0.72 -0.02 0.00 0.02 0.00 0.00 55.97 55.33 3hrd s LYS 6 Cb -0.01 -1.20 -0.01 0.00 -0.52 0.00 0.00 37.83 36.09 3hrd s LYS 6 CO -0.06 0.31 0.01 0.20 -0.92 0.00 0.00 175.35 174.90 3hrd s GLY 7 N -0.81 0.17 -0.00 -3.33 0.00 -0.15 -4.25 107.32 98.95 3hrd s GLY 7 Ca 0.05 -0.42 0.05 0.00 0.00 0.00 0.00 44.72 44.40 3hrd s GLY 7 CO 0.01 -0.50 -0.16 0.54 0.00 0.00 0.00 173.10 172.99 3hrd s VAL 8 N -1.28 2.95 -0.03 1.40 0.11 -1.26 -0.67 120.40 121.61 3hrd s VAL 8 Ca -0.14 -0.96 -0.01 0.00 -2.93 0.00 0.00 61.98 57.94 3hrd s VAL 8 Cb -0.08 -2.20 0.03 0.00 -1.53 0.00 0.00 36.38 32.60 3hrd s VAL 8 CO -0.00 0.46 0.06 -0.83 -3.33 0.00 0.00 175.10 171.45 3hrd s GLY 9 N -1.12 0.15 0.14 6.54 0.00 0.06 -4.36 107.32 108.73 3hrd s GLY 9 Ca 0.13 0.27 0.10 0.00 0.00 0.00 0.00 44.72 45.23 3hrd s GLY 9 CO 0.03 1.10 -0.23 -0.56 0.00 0.00 0.00 173.10 173.44 3hrd s SER 10 N 1.69 3.54 0.19 1.64 0.01 -1.26 -0.61 113.70 118.90 3hrd s SER 10 Ca -0.01 -0.71 -0.06 0.00 1.31 0.00 0.00 55.95 56.48 3hrd s SER 10 Cb -0.12 -0.34 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 3hrd s SER 10 CO -0.03 0.16 0.24 0.00 0.41 0.00 0.00 173.24 174.02 3hrd s MET 11 N -2.24 1.24 0.03 12.44 0.23 -0.07 -4.90 119.30 126.02 3hrd s MET 11 Ca 0.17 -1.41 0.03 0.00 -1.03 0.00 0.00 55.69 53.45 3hrd s MET 11 Cb -0.10 0.34 -0.02 0.00 -1.53 0.00 0.00 34.83 33.52 3hrd s MET 11 CO 0.08 -0.44 -0.09 -0.46 -2.03 0.00 0.00 175.02 172.08 3hrd s TRP 12 N -4.07 0.80 -0.26 3.16 -0.00 -1.26 -2.18 118.94 115.14 3hrd s TRP 12 Ca 0.28 -0.34 -0.04 0.00 -0.00 0.00 0.00 56.10 56.00 3hrd s TRP 12 Cb 0.04 -0.48 0.15 0.00 -0.00 0.00 0.00 33.47 33.17 3hrd s TRP 12 CO 0.07 -0.02 0.49 -0.47 -0.00 0.00 0.00 176.95 177.02 3hrd s TYR 13 N -0.87 -1.14 0.31 5.86 5.04 -0.38 -4.96 117.35 121.21 3hrd s TYR 13 Ca -0.03 1.41 -0.29 0.00 -2.44 0.00 0.00 57.07 55.72 3hrd s TYR 13 Cb -0.07 0.34 -0.10 0.00 0.35 0.00 0.00 41.96 42.47 3hrd s TYR 13 CO 0.01 -0.73 1.33 0.20 -1.34 0.00 0.00 175.55 175.01 3hrd s GLY 14 N 2.70 2.88 -0.19 8.97 0.00 -1.26 -0.74 107.32 119.68 3hrd s GLY 14 Ca 0.11 1.27 -0.13 0.00 0.00 0.00 0.00 44.72 45.97 3hrd s GLY 14 CO -0.17 1.98 0.26 -0.42 0.00 0.00 0.00 173.10 174.75 3hrd s ILE 15 N -0.91 5.31 0.00 0.90 -1.09 -0.50 -4.91 121.20 119.99 3hrd s ILE 15 Ca 0.51 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 3hrd s ILE 15 Cb -0.40 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 3hrd s ILE 15 CO 0.51 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 175.19 3hrd n GLY 16 N 3.66 0.67 3.77 6.18 0.00 -1.05 -4.54 105.19 113.89 3hrd n GLY 16 Ca -0.12 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 3hrd n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hrd s ASN 17 N -0.99 6.56 -0.38 1.61 -0.87 -1.26 -4.89 114.94 114.72 3hrd s ASN 17 Ca 0.00 2.85 -0.27 0.00 -1.57 0.00 0.00 52.86 53.86 3hrd s ASN 17 Cb 0.00 -2.65 -0.04 0.00 -0.02 0.00 0.00 41.25 38.54 3hrd s ASN 17 CO 0.00 -0.71 2.10 -0.89 -2.57 0.00 0.00 177.10 175.03 3hrd s THR 18 N -0.92 3.19 -1.49 1.60 2.01 -1.26 -3.60 115.64 115.16 3hrd s THR 18 Ca 0.53 0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.64 3hrd s THR 18 Cb -0.43 -3.33 0.04 0.00 0.01 0.00 0.00 72.50 68.79 3hrd s THR 18 CO 0.55 -0.26 0.54 0.61 -0.69 0.00 0.00 174.62 175.37 3hrd n GLY 19 N 5.72 -0.29 3.15 4.40 0.00 0.12 -4.94 105.19 113.35 3hrd n GLY 19 Ca 0.28 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 3hrd n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrd s LEU 20 N -7.07 1.44 0.30 0.99 1.43 -1.24 -4.10 118.68 110.44 3hrd s LEU 20 Ca 0.23 -0.26 -0.28 0.00 -1.03 0.00 0.00 54.13 52.78 3hrd s LEU 20 Cb -0.12 0.82 -0.09 0.00 0.03 0.00 0.00 46.19 46.83 3hrd s LEU 20 CO 0.90 -0.45 1.09 -2.16 0.23 0.00 0.00 176.35 175.95 3hrd s PRO 21 N -1.89 4.55 -0.48 1.29 0.04 -1.26 -4.73 135.00 132.52 3hrd s PRO 21 Ca -0.11 1.76 0.05 0.00 0.04 0.00 0.00 61.00 62.74 3hrd s PRO 21 Cb -0.05 -3.08 0.22 0.00 0.04 0.00 0.00 34.50 31.64 3hrd s PRO 21 CO -0.00 0.15 0.86 0.27 0.04 0.00 0.00 177.00 178.31 3hrd n ASN 22 N 0.97 -2.94 -4.07 6.66 6.94 -1.26 -5.01 115.26 116.55 3hrd n ASN 22 Ca -0.00 -2.91 -0.30 0.00 -0.02 0.00 0.00 54.58 51.35 3hrd n ASN 22 Cb 0.46 1.67 0.19 0.00 -2.36 0.00 0.00 39.78 39.74 3hrd n ASN 22 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3hrd s PRO 23 N 0.75 0.54 0.04 -0.53 0.04 -1.26 -4.67 135.00 129.90 3hrd s PRO 23 Ca 0.30 -0.52 -0.20 0.00 0.04 0.00 0.00 61.00 60.62 3hrd s PRO 23 Cb 0.13 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.85 3hrd s PRO 23 CO -0.15 -2.46 0.46 0.00 0.04 0.00 0.00 177.00 174.89 3hrd s ALA 24 N -3.89 -1.16 0.26 8.56 0.00 -1.01 -3.90 121.76 120.63 3hrd s ALA 24 Ca 0.75 0.47 0.03 0.00 0.00 0.00 0.00 51.96 53.21 3hrd s ALA 24 Cb -0.03 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.37 3hrd s ALA 24 CO 0.53 -0.47 0.05 0.00 0.00 0.00 0.00 175.76 175.87 3hrd s ALA 25 N -2.37 1.91 0.11 0.00 0.00 -0.55 -1.54 121.76 119.32 3hrd s ALA 25 Ca -0.06 -1.88 -0.22 0.00 0.00 0.00 0.00 51.96 49.81 3hrd s ALA 25 Cb -0.01 0.75 0.06 0.00 0.00 0.00 0.00 23.12 23.92 3hrd s ALA 25 CO -0.01 -0.35 0.54 0.00 0.00 0.00 0.00 175.76 175.93 3hrd s ALA 26 N -3.52 -1.38 0.08 0.00 0.00 0.35 -4.11 121.76 113.17 3hrd s ALA 26 Ca 0.34 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.82 3hrd s ALA 26 Cb 0.07 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 3hrd s ALA 26 CO 0.12 -0.64 -0.20 -0.06 0.00 0.00 0.00 175.76 174.98 3hrd s PHE 27 N -3.24 1.70 -0.02 0.00 0.08 0.92 -1.11 117.98 116.31 3hrd s PHE 27 Ca -0.01 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 56.58 3hrd s PHE 27 Cb -0.00 -0.97 0.01 0.00 -0.57 0.00 0.00 43.02 41.49 3hrd s PHE 27 CO -0.08 0.15 0.13 0.14 -0.10 0.00 0.00 175.22 175.45 3hrd s VAL 28 N -1.03 0.05 -0.09 -0.44 -7.23 -0.25 -0.92 120.40 110.48 3hrd s VAL 28 Ca 0.06 -0.40 -0.04 0.00 -1.81 0.00 0.00 61.98 59.78 3hrd s VAL 28 Cb -0.09 -0.32 0.05 0.00 0.56 0.00 0.00 36.38 36.58 3hrd s VAL 28 CO 0.03 -0.22 0.19 -0.70 -0.31 0.00 0.00 175.10 174.09 3hrd s GLU 29 N -0.74 0.10 -0.20 4.82 2.12 -0.77 -0.94 118.70 123.09 3hrd s GLU 29 Ca -0.08 0.55 -0.13 0.00 0.36 0.00 0.00 54.97 55.66 3hrd s GLU 29 Cb -0.05 -0.17 -0.05 0.00 0.26 0.00 0.00 34.13 34.12 3hrd s GLU 29 CO 0.01 -0.24 0.27 0.42 -0.54 0.00 0.00 175.26 175.18 3hrd s ILE 30 N 1.85 5.30 0.60 -3.70 1.09 -0.04 -1.36 121.20 124.95 3hrd s ILE 30 Ca -0.03 0.46 -0.08 0.00 -1.10 0.00 0.00 60.65 59.91 3hrd s ILE 30 Cb -0.12 -3.61 -0.00 0.00 -1.06 0.00 0.00 42.46 37.68 3hrd s ILE 30 CO -0.07 0.35 0.94 -1.00 -0.10 0.00 0.00 174.94 175.06 3hrd s HIS 31 N 0.84 3.35 0.11 3.97 3.76 0.11 -4.41 115.29 123.02 3hrd s HIS 31 Ca 0.14 0.82 0.30 0.00 -0.15 0.00 0.00 55.06 56.17 3hrd s HIS 31 Cb -0.13 -2.75 1.64 0.00 1.11 0.00 0.00 32.58 32.44 3hrd s HIS 31 CO 0.04 -0.81 1.92 0.78 -0.85 0.00 0.00 174.74 175.82 3hrd h GLY 32 N -0.24 0.00 -2.80 -2.22 0.00 -1.95 -1.82 103.07 94.05 3hrd h GLY 32 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3hrd h GLY 32 CO 0.62 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.25 3hrd n ASP 33 N -2.56 4.75 -0.17 0.19 5.75 -1.26 -4.71 116.55 118.55 3hrd n ASP 33 Ca -0.02 -2.65 -0.02 0.00 -0.01 0.00 0.00 54.79 52.08 3hrd n ASP 33 Cb 0.05 -0.58 -0.01 0.00 -1.03 0.00 0.00 41.12 39.55 3hrd n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hrd n GLY 34 N 0.64 0.50 3.68 6.12 0.00 -0.68 -4.91 105.19 110.54 3hrd n GLY 34 Ca 0.25 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 3hrd n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hrd n SER 35 N 1.66 3.16 -3.63 1.61 3.41 -1.26 -4.79 113.62 113.78 3hrd n SER 35 Ca -0.02 -3.09 -0.07 0.00 -0.26 0.00 0.00 58.87 55.43 3hrd n SER 35 Cb 0.14 0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 3hrd n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hrd s ALA 36 N -2.84 -1.64 0.07 7.33 0.00 -0.83 0.04 121.76 123.88 3hrd s ALA 36 Ca 0.11 0.42 0.08 0.00 0.00 0.00 0.00 51.96 52.57 3hrd s ALA 36 Cb -0.01 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3hrd s ALA 36 CO 0.07 -0.88 -0.17 -0.80 0.00 0.00 0.00 175.76 173.98 3hrd s ASN 37 N -2.75 3.87 -0.03 0.00 0.01 -0.46 0.03 114.94 115.60 3hrd s ASN 37 Ca 0.08 -0.46 0.01 0.00 -0.71 0.00 0.00 52.86 51.78 3hrd s ASN 37 Cb -0.02 -0.61 0.01 0.00 0.41 0.00 0.00 41.25 41.04 3hrd s ASN 37 CO -0.03 0.23 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.05 3hrd s VAL 38 N -1.00 0.50 -0.11 1.60 1.01 -0.09 -1.84 120.40 120.46 3hrd s VAL 38 Ca 0.16 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3hrd s VAL 38 Cb -0.11 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.80 3hrd s VAL 38 CO 0.07 0.19 -0.15 -0.04 0.00 0.00 0.00 175.10 175.16 3hrd s MET 39 N 0.47 2.25 -0.09 2.72 -1.94 -0.10 -1.17 119.30 121.45 3hrd s MET 39 Ca -0.06 -0.57 -0.15 0.00 -1.71 0.00 0.00 55.69 53.20 3hrd s MET 39 Cb -0.10 -1.92 0.03 0.00 2.01 0.00 0.00 34.83 34.86 3hrd s MET 39 CO -0.00 -0.07 0.38 -0.59 -0.01 0.00 0.00 175.02 174.73 3hrd s PHE 40 N 1.00 -0.34 0.03 -0.03 -0.71 -0.92 -0.06 117.98 116.95 3hrd s PHE 40 Ca -0.06 0.73 0.25 0.00 -1.04 0.00 0.00 56.93 56.82 3hrd s PHE 40 Cb -0.15 0.14 0.88 0.00 -1.21 0.00 0.00 43.02 42.69 3hrd s PHE 40 CO -0.02 -0.31 1.80 0.78 -1.34 0.00 0.00 175.22 176.13 3hrd h GLY 41 N 4.67 0.00 -6.34 1.99 0.00 -1.09 -3.05 103.07 99.25 3hrd h GLY 41 Ca -0.28 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.29 3hrd h GLY 41 CO 0.33 0.00 0.76 0.00 0.00 0.00 0.00 176.54 177.63 3hrd n ALA 42 N -2.18 -0.69 -2.32 3.60 0.00 -1.26 -2.91 120.51 114.75 3hrd n ALA 42 Ca 0.01 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.47 3hrd n ALA 42 Cb 0.44 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.73 3hrd n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hrd s ALA 43 N 2.88 3.28 -0.33 0.00 0.00 -1.26 -4.16 121.76 122.17 3hrd s ALA 43 Ca 0.98 0.68 -0.13 0.00 0.00 0.00 0.00 51.96 53.48 3hrd s ALA 43 Cb -1.15 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 18.61 3hrd s ALA 43 CO 0.66 -0.18 0.25 0.34 0.00 0.00 0.00 175.76 176.83 3hrd s ASP 44 N 0.33 6.07 -0.31 0.00 -1.08 -1.26 -4.80 116.67 115.63 3hrd s ASP 44 Ca 0.50 -0.35 0.08 0.00 -0.52 0.00 0.00 52.55 52.26 3hrd s ASP 44 Cb -0.25 -2.14 0.53 0.00 -1.46 0.00 0.00 42.92 39.59 3hrd s ASP 44 CO 0.31 -0.23 1.52 2.30 0.52 0.00 0.00 175.17 179.59 3hrd n ILE 45 N 5.12 2.63 0.00 4.11 -5.35 -1.26 -4.89 119.36 119.72 3hrd n ILE 45 Ca -0.12 -2.66 0.00 0.00 -0.27 0.00 0.00 62.75 59.70 3hrd n ILE 45 Cb 0.50 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 3hrd n ILE 45 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hrd n GLY 46 N -1.12 2.45 0.20 3.28 0.00 -1.26 -4.95 105.19 103.80 3hrd n GLY 46 Ca 0.36 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.44 3hrd n GLY 46 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3hrd h GLN 47 N 0.96 0.00 0.00 1.61 -0.00 -1.96 -3.47 115.11 112.25 3hrd h GLN 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3hrd h GLN 47 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3hrd h GLN 47 CO 0.00 0.33 0.00 0.41 -0.00 0.00 0.00 178.83 179.57 3hrd n GLY 48 N -0.14 1.35 0.37 0.06 0.00 -1.26 -4.95 105.19 100.62 3hrd n GLY 48 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3hrd n GLY 48 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hrd h SER 49 N 0.00 0.65 -0.64 1.61 4.64 -1.92 -0.49 113.55 117.40 3hrd h SER 49 Ca 0.00 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 3hrd h SER 49 Cb 0.00 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 3hrd h SER 49 CO 0.00 0.27 0.24 1.23 -0.87 0.00 0.00 176.83 177.70 3hrd h GLY 50 N 0.65 1.04 1.07 -0.77 0.00 -1.92 -1.00 103.07 102.13 3hrd h GLY 50 Ca 0.51 -0.58 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 3hrd h GLY 50 CO -0.27 0.54 -0.30 -0.84 0.00 0.00 0.00 176.54 175.68 3hrd h THR 51 N 0.90 1.28 -0.28 4.70 2.02 -1.70 -2.60 112.91 117.23 3hrd h THR 51 Ca 0.21 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.93 3hrd h THR 51 Cb 0.23 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3hrd h THR 51 CO -0.01 0.49 0.18 0.00 0.37 0.00 0.00 175.52 176.54 3hrd h ALA 52 N 0.78 0.35 -0.82 6.16 0.00 -0.88 -0.97 119.26 123.89 3hrd h ALA 52 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hrd h ALA 52 Cb 0.88 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3hrd h ALA 52 CO 0.08 -0.17 0.54 0.52 0.00 0.00 0.00 179.25 180.22 3hrd h MET 53 N 0.37 1.08 -0.13 0.00 2.86 -1.17 -0.07 114.93 117.86 3hrd h MET 53 Ca 0.10 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3hrd h MET 53 Cb -0.03 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 3hrd h MET 53 CO -0.02 0.71 0.05 0.00 1.06 0.00 0.00 176.91 178.71 3hrd h ALA 54 N 1.49 0.18 -0.51 6.32 0.00 -1.00 0.97 119.26 126.71 3hrd h ALA 54 Ca 0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hrd h ALA 54 Cb -0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hrd h ALA 54 CO -0.06 -0.22 0.15 1.96 0.00 0.00 0.00 179.25 181.07 3hrd h GLN 55 N 0.04 0.76 -0.18 0.00 4.20 -0.80 0.68 115.11 119.81 3hrd h GLN 55 Ca 0.04 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 3hrd h GLN 55 Cb 0.20 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3hrd h GLN 55 CO -0.00 0.67 -0.02 0.82 -0.67 0.00 0.00 178.83 179.63 3hrd h ILE 56 N 0.74 1.27 -0.75 2.54 2.04 -0.79 -0.97 117.51 121.58 3hrd h ILE 56 Ca 0.17 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3hrd h ILE 56 Cb 0.24 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3hrd h ILE 56 CO -0.01 0.28 0.32 0.00 0.00 0.00 0.00 178.15 178.74 3hrd h ALA 57 N 0.76 1.16 0.14 1.87 0.00 -0.48 -0.77 119.26 121.94 3hrd h ALA 57 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hrd h ALA 57 Cb 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hrd h ALA 57 CO 0.01 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.82 3hrd h ALA 58 N 1.28 -0.18 0.08 0.00 0.00 -0.69 0.29 119.26 120.03 3hrd h ALA 58 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hrd h ALA 58 Cb 0.17 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hrd h ALA 58 CO -0.03 -0.56 -0.06 1.49 0.00 0.00 0.00 179.25 180.10 3hrd h GLU 59 N -0.28 -0.14 -0.89 0.00 4.57 -0.98 0.40 114.58 117.26 3hrd h GLU 59 Ca -0.02 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3hrd h GLU 59 Cb 0.22 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 3hrd h GLU 59 CO 0.03 -0.10 0.46 1.49 -1.18 0.00 0.00 179.01 179.72 3hrd h GLU 60 N -0.15 1.25 0.00 1.92 4.57 -1.11 -3.02 114.58 118.05 3hrd h GLU 60 Ca 0.00 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 3hrd h GLU 60 Cb 0.14 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3hrd h GLU 60 CO -0.01 0.93 -0.74 -0.07 -1.18 0.00 0.00 179.01 177.94 3hrd h LEU 61 N 1.25 0.00 -0.23 1.64 3.38 -0.82 -3.46 115.31 117.07 3hrd h LEU 61 Ca 0.31 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 3hrd h LEU 61 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hrd h LEU 61 CO -0.05 0.05 -0.09 0.61 0.09 0.00 0.00 178.44 179.06 3hrd n GLY 62 N 1.17 0.48 3.60 0.83 0.00 0.13 -4.29 105.19 107.12 3hrd n GLY 62 Ca 0.01 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 3hrd n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrd s LEU 63 N -1.35 2.89 0.34 0.99 1.43 -0.79 -0.97 118.68 121.21 3hrd s LEU 63 Ca 0.04 -1.09 -0.28 0.00 -1.03 0.00 0.00 54.13 51.77 3hrd s LEU 63 Cb -0.02 -1.20 -0.09 0.00 0.03 0.00 0.00 46.19 44.91 3hrd s LEU 63 CO 0.05 -0.25 1.17 -1.81 0.23 0.00 0.00 176.35 175.74 3hrd s ASP 64 N -3.68 6.89 0.19 2.29 1.01 -1.26 -4.54 116.67 117.56 3hrd s ASP 64 Ca 0.34 2.38 -0.13 0.00 0.71 0.00 0.00 52.55 55.85 3hrd s ASP 64 Cb 0.01 -2.63 0.19 0.00 1.01 0.00 0.00 42.92 41.51 3hrd s ASP 64 CO 0.18 -0.42 1.73 0.22 0.21 0.00 0.00 175.17 177.09 3hrd h TYR 65 N 3.26 0.22 0.00 4.23 3.20 -1.92 -0.26 116.97 125.70 3hrd h TYR 65 Ca -0.48 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.42 3hrd h TYR 65 Cb 1.22 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.47 3hrd h TYR 65 CO 0.57 0.03 0.00 0.93 -1.64 0.00 0.00 178.16 178.05 3hrd h GLU 66 N 0.28 0.00 -0.01 1.82 3.07 -1.97 -1.18 114.58 116.59 3hrd h GLU 66 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3hrd h GLU 66 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3hrd h GLU 66 CO -0.30 0.00 -0.31 1.63 -1.40 0.00 0.00 179.01 178.64 3hrd n LYS 67 N -2.43 0.90 -3.48 2.33 5.02 -0.11 -4.88 118.16 115.50 3hrd n LYS 67 Ca -0.02 -0.58 -0.37 0.00 -2.02 0.00 0.00 58.31 55.32 3hrd n LYS 67 Cb 0.05 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.51 3hrd n LYS 67 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hrd s ILE 68 N -2.50 5.24 0.01 -0.18 -1.09 -0.45 -1.97 121.20 120.25 3hrd s ILE 68 Ca 0.23 0.70 0.05 0.00 -2.23 0.00 0.00 60.65 59.39 3hrd s ILE 68 Cb 0.19 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 3hrd s ILE 68 CO 0.53 0.41 -0.12 -2.28 -1.23 0.00 0.00 174.94 172.26 3hrd s HIS 69 N 0.21 2.75 0.01 3.97 5.65 0.10 -4.97 115.29 123.02 3hrd s HIS 69 Ca 0.20 -0.13 0.05 0.00 0.25 0.00 0.00 55.06 55.43 3hrd s HIS 69 Cb -0.14 -1.57 -0.02 0.00 -1.18 0.00 0.00 32.58 29.68 3hrd s HIS 69 CO 0.07 0.30 -0.15 0.08 -0.65 0.00 0.00 174.74 174.40 3hrd s VAL 70 N -0.93 1.15 -0.04 0.89 1.01 -1.26 -0.92 120.40 120.30 3hrd s VAL 70 Ca 0.15 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3hrd s VAL 70 Cb -0.11 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.29 3hrd s VAL 70 CO 0.06 0.21 -0.09 -0.89 0.00 0.00 0.00 175.10 174.39 3hrd s THR 71 N -0.53 0.82 0.20 3.92 2.01 -0.32 -4.96 115.64 116.78 3hrd s THR 71 Ca 0.04 -0.34 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 3hrd s THR 71 Cb -0.06 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 3hrd s THR 71 CO 0.00 0.27 0.25 -1.66 -0.69 0.00 0.00 174.62 172.80 3hrd s TRP 72 N 0.49 0.72 -1.52 4.92 -2.14 -1.26 -2.16 118.94 117.98 3hrd s TRP 72 Ca -0.08 -1.03 -0.02 0.00 2.66 0.00 0.00 56.10 57.63 3hrd s TRP 72 Cb -0.12 -0.22 0.01 0.00 -3.10 0.00 0.00 33.47 30.03 3hrd s TRP 72 CO 0.01 -0.74 0.15 0.41 -2.66 0.00 0.00 176.95 174.12 3hrd n GLY 73 N -0.27 -0.50 2.90 3.67 0.00 -1.14 -4.97 105.19 104.88 3hrd n GLY 73 Ca -0.02 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3hrd n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hrd s ASP 74 N -2.22 4.28 0.48 1.61 -1.08 -1.26 -5.00 116.67 113.48 3hrd s ASP 74 Ca 0.09 -1.72 0.29 0.00 -0.52 0.00 0.00 52.55 50.69 3hrd s ASP 74 Cb -0.04 -1.26 1.56 0.00 -1.46 0.00 0.00 42.92 41.72 3hrd s ASP 74 CO 0.11 -0.35 1.86 0.71 0.52 0.00 0.00 175.17 178.02 3hrd h THR 75 N 6.59 0.00 0.07 1.71 1.35 -1.94 0.19 112.91 120.88 3hrd h THR 75 Ca -0.11 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.51 3hrd h THR 75 Cb 1.03 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 3hrd h THR 75 CO 0.47 0.00 -1.12 -0.03 -0.25 0.00 0.00 175.52 174.60 3hrd h MET 76 N 0.00 0.17 0.00 4.72 -1.53 -2.02 -3.39 114.93 112.88 3hrd h MET 76 Ca 0.00 -0.27 0.00 0.00 -3.44 0.00 0.00 59.70 55.99 3hrd h MET 76 Cb 0.20 0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.35 3hrd h MET 76 CO 0.00 1.11 0.00 1.33 0.14 0.00 0.00 176.91 179.49 3hrd n VAL 77 N -3.48 0.22 -4.93 -5.77 0.24 -0.90 -5.03 118.33 98.68 3hrd n VAL 77 Ca -0.05 -0.44 -0.27 0.00 -2.04 0.00 0.00 64.34 61.54 3hrd n VAL 77 Cb 0.97 1.12 -0.16 0.00 -1.47 0.00 0.00 33.84 34.30 3hrd n VAL 77 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3hrd s THR 78 N -0.22 1.56 0.55 3.34 -4.23 0.00 -4.91 115.64 111.74 3hrd s THR 78 Ca 0.00 -0.80 -0.19 0.00 -1.18 0.00 0.00 61.69 59.52 3hrd s THR 78 Cb 0.00 -1.33 -0.06 0.00 1.34 0.00 0.00 72.50 72.45 3hrd s THR 78 CO 0.00 0.45 1.11 -2.16 -0.54 0.00 0.00 174.62 173.48 3hrd s PRO 79 N -0.06 3.37 -0.00 3.99 0.04 -1.26 -4.48 135.00 136.60 3hrd s PRO 79 Ca -0.03 1.55 -0.38 0.00 0.04 0.00 0.00 61.00 62.18 3hrd s PRO 79 Cb -0.11 -2.01 -0.17 0.00 0.04 0.00 0.00 34.50 32.24 3hrd s PRO 79 CO 0.02 -0.82 1.35 -3.47 0.04 0.00 0.00 177.00 174.12 3hrd n ASP 80 N -1.37 1.39 -0.58 6.66 -0.08 -1.26 -0.75 116.55 120.56 3hrd n ASP 80 Ca 0.11 1.12 0.05 0.00 -1.51 0.00 0.00 54.79 54.57 3hrd n ASP 80 Cb 0.51 -1.12 0.14 0.00 2.34 0.00 0.00 41.12 43.00 3hrd n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3hrd n GLY 81 N 2.59 2.88 0.90 0.27 0.00 -1.26 -1.48 105.19 109.09 3hrd n GLY 81 Ca 0.20 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.96 3hrd n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrd n GLY 82 N 0.34 -1.92 3.80 -0.02 0.00 -1.25 -4.48 105.19 101.65 3hrd n GLY 82 Ca 0.11 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 3hrd n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd s ALA 83 N -2.13 3.07 -1.02 4.61 0.00 -1.26 -4.69 121.76 120.34 3hrd s ALA 83 Ca 0.00 0.54 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 3hrd s ALA 83 Cb 0.00 -3.21 0.11 0.00 0.00 0.00 0.00 23.12 20.03 3hrd s ALA 83 CO 0.00 -0.02 1.30 0.99 0.00 0.00 0.00 175.76 178.03 3hrd s THR 84 N -1.88 4.54 0.29 0.00 2.01 -1.26 -4.83 115.64 114.50 3hrd s THR 84 Ca 0.59 -1.57 -0.20 0.00 0.31 0.00 0.00 61.69 60.82 3hrd s THR 84 Cb -0.16 -4.90 0.03 0.00 0.01 0.00 0.00 72.50 67.49 3hrd s THR 84 CO 0.20 -1.67 0.76 -0.94 -0.69 0.00 0.00 174.62 172.28 3hrd s SER 85 N 3.88 -0.20 -1.71 3.53 1.04 -1.26 -4.96 113.70 114.02 3hrd s SER 85 Ca 0.39 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3hrd s SER 85 Cb -0.03 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.82 3hrd s SER 85 CO -0.07 -1.37 0.00 0.00 0.98 0.00 0.00 173.24 172.78 3hrd n ALA 86 N -0.48 -0.37 -4.32 5.32 0.00 -1.26 -2.80 120.51 116.61 3hrd n ALA 86 Ca -0.05 0.23 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 3hrd n ALA 86 Cb 0.59 -1.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 3hrd n ALA 86 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hrd n SER 87 N -1.02 -0.89 -0.01 0.00 7.64 -1.26 -2.52 113.62 115.55 3hrd n SER 87 Ca -0.19 -1.18 0.08 0.00 1.01 0.00 0.00 58.87 58.59 3hrd n SER 87 Cb 0.61 -2.03 -0.14 0.00 -1.01 0.00 0.00 64.21 61.64 3hrd n SER 87 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3hrd n ARG 88 N -4.36 0.60 -0.25 1.43 1.85 -1.12 -4.04 116.66 110.77 3hrd n ARG 88 Ca -0.11 -0.15 -0.02 0.00 -1.00 0.00 0.00 57.85 56.57 3hrd n ARG 88 Cb 0.58 -1.42 0.10 0.00 -1.05 0.00 0.00 32.46 30.66 3hrd n ARG 88 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 3hrd h GLN 89 N 0.00 0.77 -0.97 2.89 1.08 -1.88 0.67 115.11 117.67 3hrd h GLN 89 Ca -0.03 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3hrd h GLN 89 Cb 0.91 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 28.12 3hrd h GLN 89 CO 0.00 0.51 0.61 1.15 -0.95 0.00 0.00 178.83 180.15 3hrd h THR 90 N 0.80 1.26 0.30 -0.54 2.02 -1.96 -0.27 112.91 114.52 3hrd h THR 90 Ca 0.30 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3hrd h THR 90 Cb 0.12 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 3hrd h THR 90 CO -0.15 0.26 -0.15 0.25 0.37 0.00 0.00 175.52 176.11 3hrd h LEU 91 N 1.33 -0.35 0.14 2.58 5.85 -1.69 -2.85 115.31 120.33 3hrd h LEU 91 Ca 0.35 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 3hrd h LEU 91 Cb -0.10 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3hrd h LEU 91 CO -0.07 -0.05 -0.07 0.40 -0.34 0.00 0.00 178.44 178.31 3hrd h ILE 92 N -0.81 0.99 -0.10 4.05 2.04 -0.89 -1.10 117.51 121.69 3hrd h ILE 92 Ca -0.04 -1.10 -0.15 0.00 1.00 0.00 0.00 64.86 64.57 3hrd h ILE 92 Cb 0.31 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3hrd h ILE 92 CO 0.07 0.24 -0.58 0.74 0.00 0.00 0.00 178.15 178.61 3hrd h THR 93 N -0.77 1.37 -0.41 -0.27 2.02 -1.28 -1.32 112.91 112.25 3hrd h THR 93 Ca -0.02 -1.91 0.02 0.00 0.77 0.00 0.00 66.41 65.27 3hrd h THR 93 Cb 0.53 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 3hrd h THR 93 CO 0.03 0.57 0.22 1.23 0.37 0.00 0.00 175.52 177.95 3hrd h GLY 94 N 1.36 0.57 1.68 2.16 0.00 -0.96 0.56 103.07 108.42 3hrd h GLY 94 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 3hrd h GLY 94 CO 0.09 0.13 -0.40 3.43 0.00 0.00 0.00 176.54 179.80 3hrd h ASN 95 N 0.45 0.38 0.30 0.19 2.35 -1.07 -2.34 115.58 115.84 3hrd h ASN 95 Ca 0.17 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3hrd h ASN 95 Cb 0.04 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3hrd h ASN 95 CO -0.10 0.74 -0.23 0.00 -1.65 0.00 0.00 177.43 176.19 3hrd h ALA 96 N 1.28 1.50 0.07 -0.83 0.00 -0.31 -0.26 119.26 120.70 3hrd h ALA 96 Ca 0.03 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.45 3hrd h ALA 96 Cb 0.84 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.62 3hrd h ALA 96 CO 0.07 0.29 -1.13 0.28 0.00 0.00 0.00 179.25 178.76 3hrd h VAL 97 N 0.00 1.29 -0.30 0.00 2.07 -0.55 -2.30 116.25 116.46 3hrd h VAL 97 Ca -0.00 -2.35 -0.00 0.00 0.82 0.00 0.00 66.70 65.16 3hrd h VAL 97 Cb 0.44 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3hrd h VAL 97 CO 0.03 0.72 0.18 0.40 0.02 0.00 0.00 177.57 178.92 3hrd h ILE 98 N 0.30 1.11 -0.66 4.57 2.04 -0.88 0.73 117.51 124.71 3hrd h ILE 98 Ca -0.16 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3hrd h ILE 98 Cb 1.80 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 3hrd h ILE 98 CO 0.22 0.11 0.40 -0.07 0.00 0.00 0.00 178.15 178.81 3hrd h LEU 99 N 0.38 0.79 -0.64 1.44 3.38 -1.12 0.76 115.31 120.29 3hrd h LEU 99 Ca 0.11 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3hrd h LEU 99 Cb 0.02 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3hrd h LEU 99 CO -0.02 0.61 0.41 0.00 0.09 0.00 0.00 178.44 179.53 3hrd h ALA 100 N 1.21 0.82 -0.24 1.53 0.00 -0.99 -1.99 119.26 119.60 3hrd h ALA 100 Ca 0.24 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3hrd h ALA 100 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3hrd h ALA 100 CO -0.05 0.19 -0.22 0.00 0.00 0.00 0.00 179.25 179.17 3hrd h ARG 102 N 0.39 0.77 -0.11 0.00 3.08 -0.18 0.28 114.38 118.60 3hrd h ARG 102 Ca 0.06 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3hrd h ARG 102 Cb 0.60 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3hrd h ARG 102 CO 0.04 0.81 0.07 0.37 -1.07 0.00 0.00 179.97 180.19 3hrd h GLN 103 N 0.63 0.15 -0.60 0.04 4.15 -1.30 -1.93 115.11 116.25 3hrd h GLN 103 Ca 0.13 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.61 3hrd h GLN 103 Cb 0.43 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 3hrd h GLN 103 CO 0.01 0.15 0.40 0.00 -1.93 0.00 0.00 178.83 177.47 3hrd h ALA 104 N 0.99 1.88 0.00 3.38 0.00 -1.24 -0.50 119.26 123.78 3hrd h ALA 104 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hrd h ALA 104 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hrd h ALA 104 CO -0.01 0.01 0.00 0.87 0.00 0.00 0.00 179.25 180.12 3hrd h LYS 105 N 0.52 0.00 -0.14 0.00 1.57 -0.19 -3.30 116.57 115.04 3hrd h LYS 105 Ca 0.27 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.09 3hrd h LYS 105 Cb 0.37 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 3hrd h LYS 105 CO -0.08 0.00 -0.43 0.93 -0.57 0.00 0.00 179.45 179.30 3hrd h GLU 106 N 0.00 -0.48 -0.57 3.15 5.08 -0.55 0.90 114.58 122.10 3hrd h GLU 106 Ca 0.00 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3hrd h GLU 106 Cb 0.57 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3hrd h GLU 106 CO 0.00 -0.32 0.11 1.79 -1.00 0.00 0.00 179.01 179.60 3hrd h THR 107 N -0.50 1.25 -0.63 1.13 1.35 -1.73 -0.50 112.91 113.29 3hrd h THR 107 Ca 0.07 -0.94 0.04 0.00 -0.55 0.00 0.00 66.41 65.04 3hrd h THR 107 Cb 0.63 0.76 -0.05 0.00 -1.73 0.00 0.00 68.15 67.76 3hrd h THR 107 CO -0.40 0.35 0.37 -0.07 -0.25 0.00 0.00 175.52 175.51 3hrd h LEU 108 N 0.84 0.57 -0.65 3.87 3.38 -1.45 0.93 115.31 122.79 3hrd h LEU 108 Ca 0.18 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 3hrd h LEU 108 Cb 0.38 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3hrd h LEU 108 CO 0.01 0.39 -0.25 0.00 0.09 0.00 0.00 178.44 178.67 3hrd h ALA 109 N 1.30 0.84 -0.51 1.53 0.00 0.11 0.53 119.26 123.05 3hrd h ALA 109 Ca 0.27 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3hrd h ALA 109 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hrd h ALA 109 CO -0.14 0.64 -0.14 -0.22 0.00 0.00 0.00 179.25 179.39 3hrd h LYS 110 N 0.68 0.99 -0.22 0.00 3.64 -0.35 0.82 116.57 122.13 3hrd h LYS 110 Ca 0.09 -0.38 -0.17 0.00 -1.27 0.00 0.00 60.65 58.92 3hrd h LYS 110 Cb 0.77 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3hrd h LYS 110 CO 0.06 1.06 -0.54 1.15 -2.27 0.00 0.00 179.45 178.91 3hrd h THR 111 N 0.87 1.30 -0.70 1.00 2.02 -0.74 -1.47 112.91 115.19 3hrd h THR 111 Ca 0.13 -1.75 -0.07 0.00 0.77 0.00 0.00 66.41 65.49 3hrd h THR 111 Cb 0.71 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 3hrd h THR 111 CO 0.05 0.56 0.15 0.00 0.37 0.00 0.00 175.52 176.65 3hrd h ALA 112 N 0.61 0.95 -0.28 6.16 0.00 -0.73 -2.42 119.26 123.56 3hrd h ALA 112 Ca -0.00 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.71 3hrd h ALA 112 Cb 1.15 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3hrd h ALA 112 CO 0.12 0.67 -0.11 0.00 0.00 0.00 0.00 179.25 179.92 3hrd h ALA 113 N 1.10 0.12 -0.03 0.00 0.00 0.90 -3.29 119.26 118.05 3hrd h ALA 113 Ca 0.22 0.11 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 3hrd h ALA 113 Cb 0.39 0.29 0.06 0.00 0.00 0.00 0.00 17.79 18.53 3hrd h ALA 113 CO 0.01 -0.51 0.68 0.39 0.00 0.00 0.00 179.25 179.82 3hrd n GLU 114 N -5.29 0.04 0.00 0.00 1.02 -0.57 -1.91 120.64 113.93 3hrd n GLU 114 Ca -0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.07 3hrd n GLU 114 Cb 0.20 -2.75 0.00 0.00 -0.02 0.00 0.00 31.44 28.87 3hrd n GLU 114 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3hrd n LYS 115 N 7.17 0.00 -1.87 3.49 4.81 -1.24 -4.99 118.16 125.53 3hrd n LYS 115 Ca 0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.78 3hrd n LYS 115 Cb 0.43 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.48 3hrd n LYS 115 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3hrd n LEU 116 N 0.00 -3.71 0.00 3.14 4.77 -0.80 -5.07 117.00 115.33 3hrd n LEU 116 Ca 0.00 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3hrd n LEU 116 Cb 0.00 -1.73 0.00 0.00 -2.33 0.00 0.00 43.42 39.36 3hrd n LEU 116 CO 0.00 -1.07 0.00 -0.90 -1.33 0.00 0.00 177.39 174.09 3hrd n ASP 117 N 0.30 0.00 0.00 -1.43 3.85 -1.24 -5.03 116.55 113.00 3hrd n ASP 117 Ca -0.04 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.04 3hrd n ASP 117 Cb 0.06 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 3hrd n ASP 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hrd n ALA 119 N -3.00 -0.14 -1.51 0.00 0.00 -1.26 -4.34 120.51 110.25 3hrd n ALA 119 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3hrd n ALA 119 Cb 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.45 3hrd n ALA 119 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hrd n PRO 120 N -1.40 0.28 -3.16 0.00 -0.02 -1.26 -4.75 135.00 124.68 3hrd n PRO 120 Ca 0.00 -0.01 0.05 0.00 -2.02 0.00 0.00 63.50 61.52 3hrd n PRO 120 Cb 0.00 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 3hrd n PRO 120 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3hrd s GLU 121 N 8.77 0.07 -1.03 -0.52 2.12 -1.26 -4.88 118.70 121.97 3hrd s GLU 121 Ca 1.26 0.13 -0.22 0.00 0.36 0.00 0.00 54.97 56.49 3hrd s GLU 121 Cb -0.95 0.07 -0.11 0.00 0.26 0.00 0.00 34.13 33.40 3hrd s GLU 121 CO 0.43 -0.06 1.92 0.39 -0.54 0.00 0.00 175.26 177.40 3hrd n GLU 122 N 5.28 1.61 -1.53 4.30 4.71 -0.09 -4.92 120.64 130.00 3hrd n GLU 122 Ca -0.08 -2.25 -0.32 0.00 -0.01 0.00 0.00 57.16 54.49 3hrd n GLU 122 Cb 0.55 -3.41 0.07 0.00 -1.01 0.00 0.00 31.44 27.64 3hrd n GLU 122 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3hrd s LEU 123 N 6.98 3.20 0.03 -4.62 0.20 -1.26 -3.77 118.68 119.45 3hrd s LEU 123 Ca 0.64 1.86 0.00 0.00 0.69 0.00 0.00 54.13 57.31 3hrd s LEU 123 Cb 0.05 -4.53 0.00 0.00 -0.43 0.00 0.00 46.19 41.29 3hrd s LEU 123 CO 0.13 -1.76 0.00 -1.20 -0.29 0.00 0.00 176.35 173.23 3hrd n SER 124 N -2.99 -3.20 0.00 3.68 7.64 -1.24 -4.89 113.62 112.63 3hrd n SER 124 Ca 0.09 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.22 3hrd n SER 124 Cb 0.53 -1.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 3hrd n SER 124 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3hrd n PHE 125 N 0.32 0.00 -3.67 1.43 -0.00 -1.22 -4.66 117.46 109.66 3hrd n PHE 125 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.21 3hrd n PHE 125 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 39.48 39.54 3hrd n PHE 125 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3hrd n ARG 126 N 0.00 -6.72 -3.39 -4.13 1.74 -1.25 -3.17 116.66 99.74 3hrd n ARG 126 Ca 0.00 0.74 -0.19 0.00 -0.77 0.00 0.00 57.85 57.63 3hrd n ARG 126 Cb 0.00 -5.69 0.07 0.00 -1.02 0.00 0.00 32.46 25.82 3hrd n ARG 126 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hrd n ASP 127 N -2.99 -5.25 -3.64 0.55 8.00 -0.15 -5.00 116.55 108.08 3hrd n ASP 127 Ca -0.07 -0.46 -0.10 0.00 0.71 0.00 0.00 54.79 54.87 3hrd n ASP 127 Cb 0.58 -4.30 -0.07 0.00 -0.02 0.00 0.00 41.12 37.32 3hrd n ASP 127 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hrd s ASN 128 N -3.37 -0.56 -0.67 -2.24 4.22 -1.19 -1.78 114.94 109.35 3hrd s ASN 128 Ca 0.43 1.06 -0.23 0.00 -2.14 0.00 0.00 52.86 51.99 3hrd s ASN 128 Cb -0.19 1.09 0.06 0.00 1.28 0.00 0.00 41.25 43.50 3hrd s ASN 128 CO 0.61 -0.18 1.00 -0.89 -2.04 0.00 0.00 177.10 175.60 3hrd s THR 129 N 0.39 4.25 0.02 0.54 2.01 0.79 -3.62 115.64 120.02 3hrd s THR 129 Ca 0.01 -0.26 -0.25 0.00 0.31 0.00 0.00 61.69 61.50 3hrd s THR 129 Cb -0.05 -4.71 -0.05 0.00 0.01 0.00 0.00 72.50 67.70 3hrd s THR 129 CO -0.05 -1.50 0.78 -0.69 -0.69 0.00 0.00 174.62 172.46 3hrd s VAL 130 N 4.27 4.79 -0.29 3.82 1.01 -1.25 -2.86 120.40 129.90 3hrd s VAL 130 Ca 0.24 1.65 0.22 0.00 0.00 0.00 0.00 61.98 64.09 3hrd s VAL 130 Cb -0.16 -4.13 0.22 0.00 0.00 0.00 0.00 36.38 32.32 3hrd s VAL 130 CO 0.11 0.33 1.67 0.33 0.00 0.00 0.00 175.10 177.53 3hrd n PHE 131 N 3.07 0.75 -0.56 5.22 7.35 -1.25 -3.75 117.46 128.29 3hrd n PHE 131 Ca -0.01 0.36 -0.20 0.00 -0.76 0.00 0.00 57.45 56.83 3hrd n PHE 131 Cb 0.50 -1.08 -0.02 0.00 0.35 0.00 0.00 39.48 39.24 3hrd n PHE 131 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 3hrd n ILE 132 N -2.25 0.41 0.00 -2.13 0.13 -1.18 -4.48 119.36 109.87 3hrd n ILE 132 Ca -0.00 -0.10 0.00 0.00 -1.10 0.00 0.00 62.75 61.54 3hrd n ILE 132 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.89 3hrd n ILE 132 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 3hrd n THR 133 N 0.27 0.00 0.00 9.51 5.66 -1.26 -0.91 114.28 127.54 3hrd n THR 133 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 3hrd n THR 133 Cb 0.07 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 3hrd n THR 133 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hrd n ALA 134 N 0.00 0.00 -3.36 1.79 0.00 -1.26 -5.04 120.51 112.64 3hrd n ALA 134 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3hrd n ALA 134 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3hrd n ALA 134 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hrd s ASP 135 N 0.00 1.11 0.00 0.00 2.15 -1.26 -4.99 116.67 113.67 3hrd s ASP 135 Ca 0.00 -1.41 0.00 0.00 0.43 0.00 0.00 52.55 51.57 3hrd s ASP 135 Cb 0.00 0.62 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 3hrd s ASP 135 CO 0.00 -0.28 0.77 -2.65 -0.17 0.00 0.00 175.17 172.84 3hrd n PRO 136 N 4.42 0.00 -0.59 4.34 -0.02 -1.26 -3.10 135.00 138.78 3hrd n PRO 136 Ca 0.09 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.76 3hrd n PRO 136 Cb 0.46 -1.65 0.07 0.00 -0.02 0.00 0.00 33.50 32.36 3hrd n PRO 136 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3hrd n GLU 137 N -1.27 -0.70 -3.66 -0.52 4.07 -1.26 -4.27 120.64 113.03 3hrd n GLU 137 Ca 0.00 -0.68 -0.26 0.00 -0.06 0.00 0.00 57.16 56.15 3hrd n GLU 137 Cb 0.15 -0.49 0.05 0.00 -0.06 0.00 0.00 31.44 31.10 3hrd n GLU 137 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3hrd n ARG 138 N -2.10 -6.58 0.00 5.31 1.74 -1.26 -3.84 116.66 109.93 3hrd n ARG 138 Ca 0.06 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 3hrd n ARG 138 Cb 0.20 -5.70 0.00 0.00 -1.02 0.00 0.00 32.46 25.94 3hrd n ARG 138 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3hrd n SER 139 N -2.87 -0.81 0.00 0.55 2.88 -1.26 -3.98 113.62 108.12 3hrd n SER 139 Ca 0.01 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 3hrd n SER 139 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 3hrd n SER 139 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 3hrd n MET 140 N -0.93 0.00 -2.21 -1.46 0.00 -1.13 -4.84 117.12 106.54 3hrd n MET 140 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.38 3hrd n MET 140 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 3hrd n MET 140 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3hrd s THR 141 N 0.00 4.52 0.47 1.12 -4.23 -1.26 -0.15 115.64 116.11 3hrd s THR 141 Ca 0.00 1.09 0.17 0.00 -1.18 0.00 0.00 61.69 61.77 3hrd s THR 141 Cb 0.00 -3.73 0.22 0.00 1.34 0.00 0.00 72.50 70.33 3hrd s THR 141 CO 0.00 -0.81 2.05 0.22 -0.54 0.00 0.00 174.62 175.54 3hrd h TYR 142 N 0.50 0.00 -0.52 3.99 5.03 -1.70 0.52 116.97 124.79 3hrd h TYR 142 Ca -0.46 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 60.74 3hrd h TYR 142 Cb 1.19 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.45 3hrd h TYR 142 CO 0.64 0.13 -0.10 0.78 -1.32 0.00 0.00 178.16 178.29 3hrd h GLY 143 N 0.42 1.07 1.53 1.82 0.00 -1.91 -1.18 103.07 104.82 3hrd h GLY 143 Ca -0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 47.33 46.28 3hrd h GLY 143 CO 0.02 0.79 -0.69 0.83 0.00 0.00 0.00 176.54 177.48 3hrd h GLU 144 N 0.86 0.47 -0.50 4.80 5.08 -1.44 -2.98 114.58 120.87 3hrd h GLU 144 Ca 0.14 -0.36 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 3hrd h GLU 144 Cb 0.66 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3hrd h GLU 144 CO 0.05 0.99 -0.12 1.25 -1.00 0.00 0.00 179.01 180.18 3hrd h LEU 145 N 0.33 0.97 -1.17 1.33 5.85 0.17 -2.78 115.31 120.00 3hrd h LEU 145 Ca -0.02 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.25 3hrd h LEU 145 Cb 1.27 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3hrd h LEU 145 CO 0.12 1.10 -0.41 0.24 -0.34 0.00 0.00 178.44 179.15 3hrd h MET 146 N 0.82 0.00 -0.53 1.25 2.86 -1.25 0.07 114.93 118.14 3hrd h MET 146 Ca 0.13 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3hrd h MET 146 Cb 0.68 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 3hrd h MET 146 CO 0.05 0.41 0.25 0.00 1.06 0.00 0.00 176.91 178.68 3hrd h ALA 147 N 1.59 0.69 -0.49 6.32 0.00 -1.35 0.86 119.26 126.87 3hrd h ALA 147 Ca -0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3hrd h ALA 147 Cb 0.74 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hrd h ALA 147 CO 0.05 0.26 -0.16 0.00 0.00 0.00 0.00 179.25 179.40 3hrd h ALA 148 N 1.09 0.68 -0.32 0.00 0.00 -1.18 -1.61 119.26 117.92 3hrd h ALA 148 Ca 0.18 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3hrd h ALA 148 Cb 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3hrd h ALA 148 CO -0.02 0.62 0.11 1.98 0.00 0.00 0.00 179.25 181.94 3hrd h MET 149 N 0.83 0.24 0.05 0.00 4.05 -0.51 -1.36 114.93 118.23 3hrd h MET 149 Ca 0.12 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 3hrd h MET 149 Cb 0.73 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 3hrd h MET 149 CO 0.06 0.16 -0.03 -0.22 0.23 0.00 0.00 176.91 177.11 3hrd h LYS 150 N 0.25 -0.07 -0.13 0.39 3.64 -0.70 -1.66 116.57 118.29 3hrd h LYS 150 Ca 0.15 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 3hrd h LYS 150 Cb 0.12 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hrd h LYS 150 CO -0.15 0.07 0.22 0.00 -2.27 0.00 0.00 179.45 177.32 3hrd h ALA 151 N 0.75 1.60 -0.02 5.00 0.00 -0.99 0.34 119.26 125.95 3hrd h ALA 151 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hrd h ALA 151 Cb 0.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hrd h ALA 151 CO 0.01 -0.29 -0.30 0.00 0.00 0.00 0.00 179.25 178.67 3hrd n ALA 152 N -2.19 3.16 -3.11 0.00 0.00 -0.54 -4.97 120.51 112.87 3hrd n ALA 152 Ca 0.01 -0.57 -0.14 0.00 0.00 0.00 0.00 53.44 52.74 3hrd n ALA 152 Cb 0.33 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 18.91 3hrd n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrd n GLY 153 N 1.36 -0.02 3.32 0.00 0.00 0.11 -5.03 105.19 104.94 3hrd n GLY 153 Ca 0.12 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 3hrd n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hrd s ARG 154 N -5.54 1.59 0.03 1.61 0.52 -0.67 -5.05 118.95 111.44 3hrd s ARG 154 Ca 0.26 -1.09 0.06 0.00 -0.52 0.00 0.00 55.73 54.44 3hrd s ARG 154 Cb -0.12 -1.80 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 3hrd s ARG 154 CO 0.46 0.46 -0.18 -1.64 0.02 0.00 0.00 175.30 174.42 3hrd s MET 155 N -1.36 1.26 -0.81 3.54 -1.94 -1.26 -4.40 119.30 114.33 3hrd s MET 155 Ca 0.10 -0.82 -0.16 0.00 -1.71 0.00 0.00 55.69 53.11 3hrd s MET 155 Cb -0.10 -1.31 0.19 0.00 2.01 0.00 0.00 34.83 35.62 3hrd s MET 155 CO 0.03 0.34 0.82 0.00 -0.01 0.00 0.00 175.02 176.19 3hrd s ALA 156 N -0.73 3.85 0.10 3.03 0.00 -1.26 -4.87 121.76 121.89 3hrd s ALA 156 Ca 0.06 -3.07 0.07 0.00 0.00 0.00 0.00 51.96 49.02 3hrd s ALA 156 Cb -0.08 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 3hrd s ALA 156 CO 0.01 -2.41 -0.18 0.14 0.00 0.00 0.00 175.76 173.32 3hrd s VAL 157 N 0.98 1.53 0.04 0.00 -7.23 -1.26 -0.86 120.40 113.60 3hrd s VAL 157 Ca 0.19 -1.52 -0.22 0.00 -1.81 0.00 0.00 61.98 58.62 3hrd s VAL 157 Cb -0.12 -1.45 0.05 0.00 0.56 0.00 0.00 36.38 35.43 3hrd s VAL 157 CO -0.07 -0.15 0.51 -0.83 -0.31 0.00 0.00 175.10 174.25 3hrd s GLY 158 N -1.96 -0.41 -0.02 2.32 0.00 -0.12 -3.19 107.32 103.94 3hrd s GLY 158 Ca 0.05 0.60 0.02 0.00 0.00 0.00 0.00 44.72 45.40 3hrd s GLY 158 CO 0.04 0.31 -0.07 0.00 0.00 0.00 0.00 173.10 173.38 3hrd s ALA 159 N -2.33 0.68 0.06 3.20 0.00 -1.26 -1.09 121.76 121.03 3hrd s ALA 159 Ca -0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 3hrd s ALA 159 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3hrd s ALA 159 CO -0.01 0.11 0.10 0.20 0.00 0.00 0.00 175.76 176.16 3hrd s GLY 160 N 0.15 0.22 -0.08 0.00 0.00 -0.27 -4.42 107.32 102.92 3hrd s GLY 160 Ca -0.02 -0.76 -0.21 0.00 0.00 0.00 0.00 44.72 43.74 3hrd s GLY 160 CO 0.00 -0.91 0.48 -1.35 0.00 0.00 0.00 173.10 171.32 3hrd s SER 161 N -2.64 -0.44 0.01 1.64 1.04 -1.26 -0.49 113.70 111.55 3hrd s SER 161 Ca 0.02 0.57 -0.03 0.00 0.48 0.00 0.00 55.95 57.00 3hrd s SER 161 Cb 0.04 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 3hrd s SER 161 CO -0.09 -0.41 0.04 -0.47 0.98 0.00 0.00 173.24 173.30 3hrd s TYR 162 N -0.78 0.13 -0.03 5.02 5.04 -0.59 -4.84 117.35 121.30 3hrd s TYR 162 Ca -0.08 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 3hrd s TYR 162 Cb -0.03 -0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.20 3hrd s TYR 162 CO 0.05 -0.20 0.00 1.21 -1.34 0.00 0.00 175.55 175.28 3hrd s ASN 163 N -1.17 0.40 0.55 4.32 2.47 -1.26 -2.40 114.94 117.85 3hrd s ASN 163 Ca -0.13 -0.02 -0.21 0.00 0.42 0.00 0.00 52.86 52.93 3hrd s ASN 163 Cb -0.08 -0.20 -0.05 0.00 -1.45 0.00 0.00 41.25 39.47 3hrd s ASN 163 CO 0.00 -0.11 1.18 -2.65 -3.72 0.00 0.00 177.10 171.81 3hrd n PRO 164 N 4.16 1.37 -2.78 0.43 -0.02 -1.26 -4.89 135.00 132.00 3hrd n PRO 164 Ca -0.26 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.30 3hrd n PRO 164 Cb 0.50 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 3hrd n PRO 164 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3hrd s ASN 165 N -1.01 6.20 0.20 2.55 3.04 -1.26 -4.92 114.94 119.73 3hrd s ASN 165 Ca 0.72 -0.76 -0.00 0.00 0.04 0.00 0.00 52.86 52.86 3hrd s ASN 165 Cb -0.44 -2.45 -0.04 0.00 -1.54 0.00 0.00 41.25 36.78 3hrd s ASN 165 CO 0.49 -1.50 0.10 0.42 -3.04 0.00 0.00 177.10 173.57 3hrd s THR 166 N 4.44 0.19 0.16 -5.21 -4.23 -1.26 -4.28 115.64 105.45 3hrd s THR 166 Ca 0.26 -1.98 0.11 0.00 -1.18 0.00 0.00 61.69 58.90 3hrd s THR 166 Cb -0.14 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 3hrd s THR 166 CO 0.13 -0.13 -0.24 -0.89 -0.54 0.00 0.00 174.62 172.95 3hrd s THR 167 N -4.01 2.21 0.89 3.99 2.01 0.67 -4.93 115.64 116.47 3hrd s THR 167 Ca 0.35 -1.89 -0.12 0.00 0.31 0.00 0.00 61.69 60.34 3hrd s THR 167 Cb 0.07 -2.00 0.12 0.00 0.01 0.00 0.00 72.50 70.70 3hrd s THR 167 CO 0.10 -0.07 1.11 -0.83 -0.69 0.00 0.00 174.62 174.24 3hrd s GLY 168 N -2.40 1.60 -0.14 4.40 0.00 -1.26 -3.93 107.32 105.59 3hrd s GLY 168 Ca 0.17 -0.30 -0.06 0.00 0.00 0.00 0.00 44.72 44.53 3hrd s GLY 168 CO 0.08 0.22 0.06 1.08 0.00 0.00 0.00 173.10 174.54 3hrd s LEU 169 N -6.08 3.87 0.24 0.66 1.43 -1.26 -4.33 118.68 113.22 3hrd s LEU 169 Ca 0.63 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.62 3hrd s LEU 169 Cb -0.16 -1.94 -0.10 0.00 0.03 0.00 0.00 46.19 44.02 3hrd s LEU 169 CO 0.55 0.28 1.36 0.00 0.23 0.00 0.00 176.35 178.77 3hrd s ALA 170 N -0.30 3.56 0.39 4.21 0.00 -0.38 -4.85 121.76 124.39 3hrd s ALA 170 Ca 0.08 1.22 0.23 0.00 0.00 0.00 0.00 51.96 53.49 3hrd s ALA 170 Cb -0.12 -3.51 1.25 0.00 0.00 0.00 0.00 23.12 20.74 3hrd s ALA 170 CO 0.02 -0.63 2.01 -1.00 0.00 0.00 0.00 175.76 176.16 3hrd h PRO 171 N 4.86 0.00 -0.06 0.00 0.13 -1.96 0.55 132.00 135.53 3hrd h PRO 171 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 3hrd h PRO 171 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3hrd h PRO 171 CO 0.75 0.17 -0.29 0.93 -0.23 0.00 0.00 178.00 179.33 3hrd h GLU 172 N 0.00 0.30 0.00 0.86 3.07 -1.99 -3.40 114.58 113.42 3hrd h GLU 172 Ca -0.00 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 3hrd h GLU 172 Cb 0.41 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3hrd h GLU 172 CO 0.02 0.89 0.00 0.27 -1.40 0.00 0.00 179.01 178.80 3hrd n ASN 173 N -4.46 0.77 -1.58 1.42 0.23 -1.23 -5.01 115.26 105.39 3hrd n ASN 173 Ca -0.08 -1.10 -0.16 0.00 -0.53 0.00 0.00 54.58 52.71 3hrd n ASN 173 Cb 0.49 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.16 3hrd n ASN 173 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3hrd n MET 174 N -0.05 -1.20 -2.79 -3.83 2.81 0.19 -4.97 117.12 107.28 3hrd n MET 174 Ca 0.00 0.88 -0.36 0.00 -1.81 0.00 0.00 57.70 56.41 3hrd n MET 174 Cb 0.12 -5.18 -0.07 0.00 -0.71 0.00 0.00 33.22 27.38 3hrd n MET 174 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3hrd s SER 175 N -2.50 7.22 0.00 7.83 1.04 -1.25 -4.56 113.70 121.49 3hrd s SER 175 Ca 0.00 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.22 3hrd s SER 175 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 3hrd s SER 175 CO 0.00 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.68 3hrd n GLY 176 N 0.21 0.25 2.83 7.32 0.00 -1.26 -1.26 105.19 113.28 3hrd n GLY 176 Ca 0.03 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 3hrd n GLY 176 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hrd n ILE 177 N 9.00 1.50 -0.12 -0.61 2.08 -1.25 -4.97 119.36 124.98 3hrd n ILE 177 Ca 0.00 -4.80 0.01 0.00 0.56 0.00 0.00 62.75 58.52 3hrd n ILE 177 Cb 0.00 -2.15 0.30 0.00 -0.75 0.00 0.00 39.64 37.04 3hrd n ILE 177 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3hrd h PRO 178 N 5.31 0.80 -4.49 0.38 0.13 -1.90 0.19 132.00 132.42 3hrd h PRO 178 Ca 0.16 -0.07 -0.29 0.00 -0.87 0.00 0.00 66.00 64.94 3hrd h PRO 178 Cb 0.76 -0.17 -0.23 0.00 0.13 0.00 0.00 31.00 31.49 3hrd h PRO 178 CO 0.70 0.57 -0.74 -0.06 -0.23 0.00 0.00 178.00 178.24 3hrd s PHE 179 N -5.60 0.61 -1.59 1.56 0.08 -1.26 0.16 117.98 111.93 3hrd s PHE 179 Ca -0.10 -0.39 0.25 0.00 0.12 0.00 0.00 56.93 56.81 3hrd s PHE 179 Cb 0.17 -0.37 0.55 0.00 -0.57 0.00 0.00 43.02 42.80 3hrd s PHE 179 CO 0.77 -0.07 1.44 -0.85 -0.10 0.00 0.00 175.22 176.41 3hrd n GLU 180 N 1.85 0.67 -3.58 0.44 0.28 -1.26 -4.91 120.64 114.12 3hrd n GLU 180 Ca -0.20 -0.43 -0.14 0.00 -0.16 0.00 0.00 57.16 56.23 3hrd n GLU 180 Cb 0.56 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.87 3hrd n GLU 180 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3hrd s VAL 181 N -2.63 0.00 0.05 3.84 0.11 -1.26 -4.82 120.40 115.69 3hrd s VAL 181 Ca 0.20 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.31 3hrd s VAL 181 Cb 0.19 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 3hrd s VAL 181 CO 0.58 0.00 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.87 3hrd s TYR 182 N -0.44 1.53 0.13 1.54 2.02 -1.26 -1.41 117.35 119.46 3hrd s TYR 182 Ca -0.04 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 3hrd s TYR 182 Cb -0.03 -0.90 -0.04 0.00 -0.40 0.00 0.00 41.96 40.60 3hrd s TYR 182 CO 0.03 0.08 0.23 -1.12 -1.57 0.00 0.00 175.55 173.20 3hrd s SER 183 N -1.28 6.16 0.12 2.29 0.01 0.08 -4.90 113.70 116.18 3hrd s SER 183 Ca 0.04 0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.48 3hrd s SER 183 Cb -0.09 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 3hrd s SER 183 CO 0.02 0.09 -0.10 -0.31 0.41 0.00 0.00 173.24 173.34 3hrd s TYR 184 N -1.67 1.16 0.02 2.43 1.51 -1.25 -1.25 117.35 118.30 3hrd s TYR 184 Ca 0.34 -0.69 -0.27 0.00 -1.01 0.00 0.00 57.07 55.43 3hrd s TYR 184 Cb -0.11 -0.62 0.08 0.00 -0.11 0.00 0.00 41.96 41.20 3hrd s TYR 184 CO 0.27 0.04 0.73 0.00 -1.11 0.00 0.00 175.55 175.48 3hrd s ALA 185 N -2.75 -1.74 -0.06 3.71 0.00 -0.93 -0.98 121.76 119.03 3hrd s ALA 185 Ca 0.10 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 3hrd s ALA 185 Cb -0.01 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.47 3hrd s ALA 185 CO 0.00 -0.57 0.11 0.99 0.00 0.00 0.00 175.76 176.29 3hrd s THR 186 N -2.51 -0.12 -0.02 0.00 2.01 -0.66 -0.89 115.64 113.44 3hrd s THR 186 Ca -0.02 0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.30 3hrd s THR 186 Cb -0.01 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.30 3hrd s THR 186 CO -0.03 0.12 -0.14 0.42 -0.69 0.00 0.00 174.62 174.30 3hrd s THR 187 N 1.64 1.14 -0.09 -0.82 -4.23 0.22 -1.00 115.64 112.50 3hrd s THR 187 Ca -0.03 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 59.93 3hrd s THR 187 Cb -0.12 -0.97 -0.01 0.00 1.34 0.00 0.00 72.50 72.74 3hrd s THR 187 CO -0.05 0.33 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.53 3hrd s ILE 188 N -0.10 2.38 0.06 2.99 1.01 0.16 -0.76 121.20 126.95 3hrd s ILE 188 Ca 0.01 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.80 3hrd s ILE 188 Cb -0.08 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 3hrd s ILE 188 CO 0.00 0.56 -0.18 0.00 0.00 0.00 0.00 174.94 175.33 3hrd s ALA 189 N 0.12 1.49 -0.07 9.38 0.00 0.15 -1.04 121.76 131.79 3hrd s ALA 189 Ca -0.10 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 50.88 3hrd s ALA 189 Cb -0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3hrd s ALA 189 CO 0.06 0.30 -0.20 -2.00 0.00 0.00 0.00 175.76 173.91 3hrd s GLU 190 N -1.41 2.76 0.22 0.00 2.12 0.97 -0.98 118.70 122.38 3hrd s GLU 190 Ca 0.04 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.57 3hrd s GLU 190 Cb -0.09 -2.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.94 3hrd s GLU 190 CO 0.02 0.38 0.04 0.14 -0.54 0.00 0.00 175.26 175.30 3hrd s VAL 191 N -0.13 0.72 -0.11 3.70 -7.23 -0.53 -1.01 120.40 115.80 3hrd s VAL 191 Ca -0.03 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 3hrd s VAL 191 Cb -0.14 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.46 3hrd s VAL 191 CO 0.04 -0.26 -0.04 -0.70 -0.31 0.00 0.00 175.10 173.83 3hrd s GLU 192 N -3.95 1.17 -0.15 4.82 2.12 0.85 -1.76 118.70 121.80 3hrd s GLU 192 Ca 0.30 -0.18 -0.05 0.00 0.36 0.00 0.00 54.97 55.41 3hrd s GLU 192 Cb 0.07 -1.47 -0.03 0.00 0.26 0.00 0.00 34.13 32.95 3hrd s GLU 192 CO 0.09 -0.32 0.02 0.08 -0.54 0.00 0.00 175.26 174.59 3hrd s VAL 193 N 1.79 4.43 -0.36 3.70 1.01 0.29 -1.16 120.40 130.10 3hrd s VAL 193 Ca 0.04 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 3hrd s VAL 193 Cb -0.13 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.31 3hrd s VAL 193 CO -0.07 0.51 0.61 -0.62 0.00 0.00 0.00 175.10 175.54 3hrd s ASP 194 N -0.01 6.40 0.45 3.32 -1.08 0.16 -0.01 116.67 125.90 3hrd s ASP 194 Ca 0.04 0.10 0.30 0.00 -0.52 0.00 0.00 52.55 52.47 3hrd s ASP 194 Cb -0.13 -2.32 1.26 0.00 -1.46 0.00 0.00 42.92 40.28 3hrd s ASP 194 CO 0.02 -0.58 1.90 0.71 0.52 0.00 0.00 175.17 177.74 3hrd h THR 195 N 5.67 0.00 0.00 1.71 1.35 -1.07 0.03 112.91 120.60 3hrd h THR 195 Ca -0.27 -0.40 -0.21 0.00 -0.55 0.00 0.00 66.41 64.99 3hrd h THR 195 Cb 1.11 1.30 -0.04 0.00 -1.73 0.00 0.00 68.15 68.80 3hrd h THR 195 CO 0.83 0.00 -2.13 -0.62 -0.25 0.00 0.00 175.52 173.35 3hrd n GLU 196 N -2.79 0.84 -0.00 4.72 1.02 -1.26 -4.51 120.64 118.65 3hrd n GLU 196 Ca 0.01 -0.08 0.07 0.00 -0.02 0.00 0.00 57.16 57.14 3hrd n GLU 196 Cb 0.27 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 3hrd n GLU 196 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3hrd n THR 197 N -2.49 0.00 -0.95 2.62 -2.24 -1.24 -4.99 114.28 105.00 3hrd n THR 197 Ca -0.20 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3hrd n THR 197 Cb 0.88 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3hrd n THR 197 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hrd n GLY 198 N 1.60 0.74 3.76 3.38 0.00 -0.00 -4.78 105.19 109.88 3hrd n GLY 198 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3hrd n GLY 198 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hrd s GLU 199 N -0.05 4.36 -0.18 1.61 2.02 -1.23 -3.93 118.70 121.29 3hrd s GLU 199 Ca 0.00 2.19 0.01 0.00 0.02 0.00 0.00 54.97 57.19 3hrd s GLU 199 Cb 0.00 -3.09 0.04 0.00 0.10 0.00 0.00 34.13 31.18 3hrd s GLU 199 CO 0.00 -0.20 -0.12 0.08 0.02 0.00 0.00 175.26 175.05 3hrd s VAL 200 N -0.93 1.63 -0.21 2.63 1.01 -1.26 -0.66 120.40 122.61 3hrd s VAL 200 Ca 0.50 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 3hrd s VAL 200 Cb -0.39 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3hrd s VAL 200 CO 0.50 0.26 0.06 -0.62 0.00 0.00 0.00 175.10 175.30 3hrd s ASP 201 N 1.42 5.37 -0.43 3.32 3.68 -0.31 -4.95 116.67 124.77 3hrd s ASP 201 Ca 0.01 -0.05 -0.20 0.00 2.13 0.00 0.00 52.55 54.43 3hrd s ASP 201 Cb -0.15 -1.94 0.02 0.00 -1.45 0.00 0.00 42.92 39.40 3hrd s ASP 201 CO -0.09 0.09 0.62 -0.69 0.13 0.00 0.00 175.17 175.23 3hrd s VAL 202 N 0.90 4.86 -0.14 1.11 1.01 -1.26 -0.11 120.40 126.76 3hrd s VAL 202 Ca 0.03 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 3hrd s VAL 202 Cb -0.14 -4.18 -0.16 0.00 0.00 0.00 0.00 36.38 31.91 3hrd s VAL 202 CO 0.03 -0.55 0.36 -0.07 0.00 0.00 0.00 175.10 174.87 3hrd h LEU 203 N 9.61 0.00 -7.77 3.92 3.38 -1.40 -3.34 115.31 119.70 3hrd h LEU 203 Ca -0.26 -0.54 -0.17 0.00 0.09 0.00 0.00 57.88 57.01 3hrd h LEU 203 Cb 1.10 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.62 3hrd h LEU 203 CO 0.88 0.94 -0.57 -0.54 0.09 0.00 0.00 178.44 179.24 3hrd s LYS 204 N -2.08 0.34 -0.00 1.13 1.02 -1.12 -1.63 119.74 117.40 3hrd s LYS 204 Ca -0.16 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.54 3hrd s LYS 204 Cb 0.00 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.45 3hrd s LYS 204 CO 0.44 -0.07 -0.02 0.08 -0.92 0.00 0.00 175.35 174.87 3hrd s VAL 205 N -0.99 0.13 -0.16 3.17 1.01 0.25 -0.02 120.40 123.79 3hrd s VAL 205 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3hrd s VAL 205 Cb -0.06 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.22 3hrd s VAL 205 CO 0.01 0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 174.30 3hrd s VAL 206 N 0.01 1.68 -0.17 2.92 1.01 -0.20 -0.16 120.40 125.49 3hrd s VAL 206 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3hrd s VAL 206 Cb -0.01 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.84 3hrd s VAL 206 CO -0.00 0.47 -0.09 -0.55 0.00 0.00 0.00 175.10 174.93 3hrd s SER 207 N 1.44 2.93 -0.18 3.32 0.15 -0.23 -0.66 113.70 120.46 3hrd s SER 207 Ca 0.05 -0.66 -0.05 0.00 0.70 0.00 0.00 55.95 55.98 3hrd s SER 207 Cb -0.13 -1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 63.07 3hrd s SER 207 CO -0.11 -0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.20 3hrd s ALA 208 N 1.52 3.09 -0.09 5.45 0.00 -0.17 -0.51 121.76 131.05 3hrd s ALA 208 Ca 0.01 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3hrd s ALA 208 Cb -0.15 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.25 3hrd s ALA 208 CO -0.09 0.02 -0.15 -1.01 0.00 0.00 0.00 175.76 174.54 3hrd s HIS 209 N 0.69 1.80 -0.59 0.00 3.76 -0.06 -1.65 115.29 119.24 3hrd s HIS 209 Ca -0.00 -0.77 -0.26 0.00 -0.15 0.00 0.00 55.06 53.87 3hrd s HIS 209 Cb -0.14 -1.30 0.04 0.00 1.11 0.00 0.00 32.58 32.28 3hrd s HIS 209 CO 0.02 -0.39 1.11 0.34 -0.85 0.00 0.00 174.74 174.96 3hrd s ASP 210 N 0.83 6.36 -0.00 1.40 2.15 -0.15 -0.15 116.67 127.10 3hrd s ASP 210 Ca -0.11 -0.17 0.13 0.00 0.43 0.00 0.00 52.55 52.84 3hrd s ASP 210 Cb -0.15 -2.51 0.37 0.00 -0.30 0.00 0.00 42.92 40.33 3hrd s ASP 210 CO 0.01 -1.43 1.31 1.33 -0.17 0.00 0.00 175.17 176.22 3hrd n VAL 211 N 6.44 1.02 0.00 1.11 0.24 0.28 -3.92 118.33 123.49 3hrd n VAL 211 Ca 0.05 -1.01 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 3hrd n VAL 211 Cb 0.48 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 3hrd n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hrd n GLY 212 N 0.71 2.33 3.35 7.63 0.00 -1.24 -1.56 105.19 116.40 3hrd n GLY 212 Ca 0.14 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3hrd n GLY 212 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hrd s THR 213 N 0.00 -0.01 0.06 2.61 -1.32 -1.23 -1.15 115.64 114.60 3hrd s THR 213 Ca 0.00 0.03 -0.28 0.00 -1.21 0.00 0.00 61.69 60.23 3hrd s THR 213 Cb 0.00 -0.66 -0.05 0.00 -1.51 0.00 0.00 72.50 70.28 3hrd s THR 213 CO 0.00 0.01 0.88 -2.16 -2.21 0.00 0.00 174.62 171.15 3hrd s PRO 214 N 0.72 4.60 0.17 7.08 0.04 -1.26 -4.43 135.00 141.92 3hrd s PRO 214 Ca -0.04 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.31 3hrd s PRO 214 Cb -0.05 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.11 3hrd s PRO 214 CO -0.05 0.19 1.39 0.82 0.04 0.00 0.00 177.00 179.39 3hrd h ILE 215 N 4.21 1.48 -1.75 0.56 1.08 -1.96 -3.42 117.51 117.71 3hrd h ILE 215 Ca -0.43 -2.56 -0.14 0.00 -0.39 0.00 0.00 64.86 61.34 3hrd h ILE 215 Cb 1.21 2.43 -0.29 0.00 -3.07 0.00 0.00 36.82 37.10 3hrd h ILE 215 CO 0.72 0.75 -0.48 0.21 -0.69 0.00 0.00 178.15 178.66 3hrd s ASN 216 N -6.93 0.14 0.21 1.72 3.84 -1.26 -4.98 114.94 107.67 3hrd s ASN 216 Ca -0.03 0.08 -0.10 0.00 0.21 0.00 0.00 52.86 53.02 3hrd s ASN 216 Cb 0.10 1.21 0.28 0.00 -0.55 0.00 0.00 41.25 42.29 3hrd s ASN 216 CO 0.83 -0.31 1.72 0.03 -2.79 0.00 0.00 177.10 176.58 3hrd h ARG 217 N 8.16 0.31 -0.59 0.43 3.08 -2.00 -1.40 114.38 122.38 3hrd h ARG 217 Ca -0.16 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 3hrd h ARG 217 Cb 1.14 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 3hrd h ARG 217 CO 0.27 0.21 0.33 1.03 -1.07 0.00 0.00 179.97 180.74 3hrd h SER 218 N 0.32 0.72 -0.58 7.04 0.87 -1.99 -0.49 113.55 119.44 3hrd h SER 218 Ca 0.31 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 3hrd h SER 218 Cb 0.43 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 3hrd h SER 218 CO -0.35 0.60 0.13 0.24 -0.53 0.00 0.00 176.83 176.91 3hrd h MET 219 N 0.79 0.98 -0.56 2.24 2.86 -1.82 -1.69 114.93 117.73 3hrd h MET 219 Ca 0.21 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 3hrd h MET 219 Cb 0.03 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3hrd h MET 219 CO -0.04 0.89 0.10 0.28 1.06 0.00 0.00 176.91 179.20 3hrd h VAL 220 N 0.93 1.25 -0.44 -2.22 2.07 -0.79 -2.07 116.25 114.98 3hrd h VAL 220 Ca 0.19 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 3hrd h VAL 220 Cb 0.36 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3hrd h VAL 220 CO 0.00 0.35 0.18 -0.33 0.02 0.00 0.00 177.57 177.79 3hrd h GLU 221 N 0.82 0.62 -0.39 1.57 5.08 -0.84 -1.54 114.58 119.90 3hrd h GLU 221 Ca 0.17 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 3hrd h GLU 221 Cb 0.40 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3hrd h GLU 221 CO 0.01 0.52 -0.26 0.78 -1.00 0.00 0.00 179.01 179.06 3hrd h GLY 222 N 0.77 0.88 0.97 -3.84 0.00 -0.95 0.38 103.07 101.28 3hrd h GLY 222 Ca 0.15 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 3hrd h GLY 222 CO -0.02 0.71 0.19 1.46 0.00 0.00 0.00 176.54 178.89 3hrd h GLN 223 N 0.70 0.46 -0.40 4.80 1.08 -0.76 0.60 115.11 121.59 3hrd h GLN 223 Ca 0.09 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 3hrd h GLN 223 Cb 0.79 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 3hrd h GLN 223 CO 0.07 0.37 0.15 0.82 -0.95 0.00 0.00 178.83 179.28 3hrd h ILE 224 N 0.43 1.20 -0.56 2.54 2.04 -1.00 0.36 117.51 122.51 3hrd h ILE 224 Ca 0.12 -0.64 -0.11 0.00 1.00 0.00 0.00 64.86 65.23 3hrd h ILE 224 Cb 0.03 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3hrd h ILE 224 CO -0.02 0.23 -0.07 -0.33 0.00 0.00 0.00 178.15 177.96 3hrd h GLU 225 N 0.50 1.03 -0.29 2.37 5.08 -0.77 0.80 114.58 123.30 3hrd h GLU 225 Ca 0.13 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 3hrd h GLU 225 Cb 0.21 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3hrd h GLU 225 CO -0.01 1.05 -0.17 0.78 -1.00 0.00 0.00 179.01 179.66 3hrd h GLY 226 N 0.96 0.67 1.00 -3.84 0.00 -0.72 -2.68 103.07 98.47 3hrd h GLY 226 Ca 0.15 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3hrd h GLY 226 CO 0.04 0.57 0.37 -1.33 0.00 0.00 0.00 176.54 176.19 3hrd h GLY 227 N 0.36 0.83 1.02 4.60 0.00 0.01 -0.24 103.07 109.65 3hrd h GLY 227 Ca 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3hrd h GLY 227 CO 0.05 0.32 0.46 -2.08 0.00 0.00 0.00 176.54 175.28 3hrd h VAL 228 N 0.79 1.25 -0.53 4.60 2.07 -0.85 0.31 116.25 123.88 3hrd h VAL 228 Ca 0.21 -0.61 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 3hrd h VAL 228 Cb -0.06 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 3hrd h VAL 228 CO -0.04 0.28 -0.13 0.74 0.02 0.00 0.00 177.57 178.44 3hrd h THR 229 N 1.16 1.27 -0.02 2.57 2.02 -1.16 -0.18 112.91 118.57 3hrd h THR 229 Ca 0.29 -1.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.12 3hrd h THR 229 Cb 0.03 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3hrd h THR 229 CO -0.05 0.45 -0.30 -0.03 0.37 0.00 0.00 175.52 175.97 3hrd h MET 230 N 0.90 0.04 -0.11 6.66 -1.53 -0.52 -2.03 114.93 118.34 3hrd h MET 230 Ca 0.14 -0.01 -0.09 0.00 -3.44 0.00 0.00 59.70 56.30 3hrd h MET 230 Cb 0.69 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.74 3hrd h MET 230 CO 0.05 0.34 -0.27 0.78 0.14 0.00 0.00 176.91 177.96 3hrd h GLY 231 N 0.94 0.42 0.39 1.39 0.00 -0.38 -1.64 103.07 104.18 3hrd h GLY 231 Ca 0.00 -0.51 0.07 0.00 0.00 0.00 0.00 47.33 46.89 3hrd h GLY 231 CO 0.04 0.46 0.05 -1.61 0.00 0.00 0.00 176.54 175.48 3hrd h GLN 232 N -0.04 0.16 -0.77 4.80 4.15 -0.77 -1.62 115.11 121.01 3hrd h GLN 232 Ca -0.00 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 3hrd h GLN 232 Cb 0.87 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 3hrd h GLN 232 CO 0.06 0.11 0.37 0.78 -1.93 0.00 0.00 178.83 178.22 3hrd h GLY 233 N 0.17 1.18 0.27 2.39 0.00 -1.34 -1.52 103.07 104.22 3hrd h GLY 233 Ca 0.21 -0.58 0.10 0.00 0.00 0.00 0.00 47.33 47.07 3hrd h GLY 233 CO -0.31 0.55 0.15 -2.75 0.00 0.00 0.00 176.54 174.17 3hrd h PHE 234 N 1.10 0.24 0.12 5.60 3.57 -0.35 0.62 116.94 127.83 3hrd h PHE 234 Ca 0.27 0.03 -0.33 0.00 3.53 0.00 0.00 57.97 61.47 3hrd h PHE 234 Cb 0.11 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3hrd h PHE 234 CO 0.01 0.00 -1.70 0.28 -2.23 0.00 0.00 178.31 174.68 3hrd h VAL 235 N 0.29 0.96 0.00 1.41 2.07 -1.15 -3.41 116.25 116.41 3hrd h VAL 235 Ca 0.30 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 65.19 3hrd h VAL 235 Cb 0.42 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 3hrd h VAL 235 CO -0.36 0.80 -1.03 0.18 0.02 0.00 0.00 177.57 177.18 3hrd n LEU 236 N -3.44 0.29 0.00 2.57 4.77 -0.60 -0.67 117.00 119.93 3hrd n LEU 236 Ca -0.21 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3hrd n LEU 236 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 3hrd n LEU 236 CO 0.48 0.07 -0.23 0.23 -1.33 0.00 0.00 177.39 176.62 3hrd n MET 237 N -1.59 0.00 -2.59 3.23 2.81 -0.38 -4.80 117.12 113.80 3hrd n MET 237 Ca 0.00 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 3hrd n MET 237 Cb 0.25 -0.60 -0.03 0.00 -0.71 0.00 0.00 33.22 32.13 3hrd n MET 237 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3hrd s GLU 238 N -1.59 4.38 -0.30 0.03 2.02 0.20 -4.29 118.70 119.16 3hrd s GLU 238 Ca 0.00 1.50 -0.06 0.00 0.02 0.00 0.00 54.97 56.44 3hrd s GLU 238 Cb 0.00 -3.56 0.17 0.00 0.10 0.00 0.00 34.13 30.85 3hrd s GLU 238 CO 0.00 -0.39 0.70 -2.00 0.02 0.00 0.00 175.26 173.58 3hrd s GLU 239 N 2.18 0.50 0.02 1.61 2.12 -1.26 -4.82 118.70 119.05 3hrd s GLU 239 Ca 0.51 1.00 -0.28 0.00 0.36 0.00 0.00 54.97 56.56 3hrd s GLU 239 Cb -0.21 0.58 -0.04 0.00 0.26 0.00 0.00 34.13 34.72 3hrd s GLU 239 CO 0.19 -0.44 0.90 0.42 -0.54 0.00 0.00 175.26 175.79 3hrd s ILE 240 N 2.85 4.81 -0.08 -3.70 -1.09 -1.26 -4.94 121.20 117.79 3hrd s ILE 240 Ca 0.11 1.90 -0.01 0.00 -2.23 0.00 0.00 60.65 60.41 3hrd s ILE 240 Cb -0.13 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.47 3hrd s ILE 240 CO -0.19 0.24 -0.02 -1.61 -1.23 0.00 0.00 174.94 172.12 3hrd s GLU 241 N 0.62 2.90 -0.09 2.79 2.02 -1.26 -5.04 118.70 120.65 3hrd s GLU 241 Ca 0.47 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 55.04 3hrd s GLU 241 Cb -0.21 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.29 3hrd s GLU 241 CO 0.26 0.69 -0.23 0.08 0.02 0.00 0.00 175.26 176.08 3hrd s VAL 242 N -0.86 2.21 -0.56 2.63 1.01 -1.26 -0.44 120.40 123.12 3hrd s VAL 242 Ca 0.13 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 3hrd s VAL 242 Cb -0.11 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.44 3hrd s VAL 242 CO 0.02 0.56 1.33 0.21 0.00 0.00 0.00 175.10 177.22 3hrd s ASN 243 N 0.18 6.26 0.00 3.32 3.84 0.38 -4.87 114.94 124.06 3hrd s ASN 243 Ca -0.13 0.26 0.02 0.00 0.21 0.00 0.00 52.86 53.21 3hrd s ASN 243 Cb -0.16 -2.55 0.10 0.00 -0.55 0.00 0.00 41.25 38.09 3hrd s ASN 243 CO 0.07 -1.61 0.80 0.35 -2.79 0.00 0.00 177.10 173.92 3hrd n THR 244 N 6.81 0.00 -0.10 -5.21 -2.24 -1.26 0.14 114.28 112.42 3hrd n THR 244 Ca 0.11 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.73 3hrd n THR 244 Cb 0.49 -0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.47 3hrd n THR 244 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3hrd n LYS 245 N -0.54 0.53 0.00 -0.78 4.81 -1.26 -4.62 118.16 116.30 3hrd n LYS 245 Ca 0.01 0.46 0.05 0.00 -0.87 0.00 0.00 58.31 57.96 3hrd n LYS 245 Cb 0.01 -1.64 0.01 0.00 0.02 0.00 0.00 35.03 33.42 3hrd n LYS 245 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3hrd n ASN 246 N -4.46 1.39 -0.09 3.14 0.23 -1.17 -5.00 115.26 109.30 3hrd n ASN 246 Ca -0.27 -1.20 -0.01 0.00 -0.53 0.00 0.00 54.58 52.57 3hrd n ASN 246 Cb 0.58 0.32 -0.00 0.00 -2.08 0.00 0.00 39.78 38.59 3hrd n ASN 246 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hrd n GLY 247 N 0.78 0.49 3.82 4.83 0.00 0.38 -5.02 105.19 110.46 3hrd n GLY 247 Ca 0.05 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 3hrd n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd s ALA 248 N -1.91 3.18 0.13 4.61 0.00 -1.21 -4.73 121.76 121.83 3hrd s ALA 248 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 3hrd s ALA 248 Cb 0.00 -3.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.05 3hrd s ALA 248 CO 0.00 0.22 1.08 0.42 0.00 0.00 0.00 175.76 177.48 3hrd s ILE 249 N -2.00 4.10 0.03 0.00 1.01 -1.26 -0.47 121.20 122.60 3hrd s ILE 249 Ca 0.57 1.71 0.10 0.00 0.00 0.00 0.00 60.65 63.03 3hrd s ILE 249 Cb -0.11 -4.09 -0.19 0.00 0.01 0.00 0.00 42.46 38.08 3hrd s ILE 249 CO 0.16 0.25 1.06 0.11 0.00 0.00 0.00 174.94 176.52 3hrd h LYS 250 N 5.64 0.00 -2.15 2.79 1.57 -1.12 -3.41 116.57 119.90 3hrd h LYS 250 Ca -0.43 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.76 3hrd h LYS 250 Cb 1.21 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.11 3hrd h LYS 250 CO 0.74 0.74 -0.73 0.27 -0.57 0.00 0.00 179.45 179.90 3hrd n ASN 251 N -3.21 2.91 0.04 0.86 6.94 -1.26 -4.88 115.26 116.66 3hrd n ASN 251 Ca -0.06 -3.28 0.13 0.00 -0.02 0.00 0.00 54.58 51.35 3hrd n ASN 251 Cb 0.95 -0.65 0.47 0.00 -2.36 0.00 0.00 39.78 38.18 3hrd n ASN 251 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 3hrd n PRO 252 N 0.87 0.11 -2.69 -0.53 -0.04 -1.26 -4.11 135.00 127.35 3hrd n PRO 252 Ca 0.28 0.07 -0.27 0.00 -0.04 0.00 0.00 63.50 63.54 3hrd n PRO 252 Cb 0.44 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 3hrd n PRO 252 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hrd s SER 253 N -3.59 6.21 0.53 3.54 1.04 -1.26 -4.92 113.70 115.24 3hrd s SER 253 Ca 0.12 0.86 0.29 0.00 0.48 0.00 0.00 55.95 57.70 3hrd s SER 253 Cb 0.16 -2.17 1.48 0.00 0.10 0.00 0.00 66.02 65.59 3hrd s SER 253 CO 0.59 -0.59 2.07 0.24 0.98 0.00 0.00 173.24 176.52 3hrd h MET 254 N 0.24 0.00 0.00 4.02 2.86 -1.91 -0.50 114.93 119.65 3hrd h MET 254 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3hrd h MET 254 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3hrd h MET 254 CO 0.61 0.11 -0.27 0.66 1.06 0.00 0.00 176.91 179.08 3hrd h SER 255 N 0.00 0.00 0.00 1.22 4.64 -1.96 -3.36 113.55 114.09 3hrd h SER 255 Ca -0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3hrd h SER 255 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3hrd h SER 255 CO 0.01 0.03 -0.68 0.29 -0.87 0.00 0.00 176.83 175.62 3hrd n LYS 256 N -2.38 3.11 -3.79 4.77 5.02 -0.88 -4.83 118.16 119.19 3hrd n LYS 256 Ca 0.04 -0.02 -0.36 0.00 -2.02 0.00 0.00 58.31 55.95 3hrd n LYS 256 Cb 0.46 -0.94 -0.12 0.00 -0.02 0.00 0.00 35.03 34.41 3hrd n LYS 256 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hrd s TYR 257 N -1.94 3.48 -0.21 2.13 5.04 -0.25 -4.91 117.35 120.70 3hrd s TYR 257 Ca 0.01 -2.17 -0.28 0.00 -2.44 0.00 0.00 57.07 52.19 3hrd s TYR 257 Cb 0.05 -2.91 0.00 0.00 0.35 0.00 0.00 41.96 39.45 3hrd s TYR 257 CO 0.28 -0.91 0.99 0.42 -1.34 0.00 0.00 175.55 174.99 3hrd s ILE 258 N 1.20 4.73 0.21 3.14 -1.09 -1.26 -4.69 121.20 123.45 3hrd s ILE 258 Ca 0.04 1.95 0.11 0.00 -2.23 0.00 0.00 60.65 60.52 3hrd s ILE 258 Cb -0.22 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.34 3hrd s ILE 258 CO -0.03 -0.12 -0.19 0.27 -1.23 0.00 0.00 174.94 173.64 3hrd s ILE 259 N 2.90 2.60 0.40 2.92 -4.36 -1.26 -2.96 121.20 121.45 3hrd s ILE 259 Ca 0.43 -2.04 -0.26 0.00 -0.26 0.00 0.00 60.65 58.52 3hrd s ILE 259 Cb -0.16 -2.29 -0.10 0.00 1.25 0.00 0.00 42.46 41.16 3hrd s ILE 259 CO 0.08 -0.19 1.33 -2.65 0.24 0.00 0.00 174.94 173.75 3hrd n PRO 260 N -0.03 2.11 -3.00 0.37 -0.02 -1.26 -5.04 135.00 128.13 3hrd n PRO 260 Ca -0.10 0.75 -0.18 0.00 -2.02 0.00 0.00 63.50 61.95 3hrd n PRO 260 Cb 0.57 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.64 3hrd n PRO 260 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hrd s SER 261 N -0.42 5.44 0.60 2.55 1.04 -1.26 -4.99 113.70 116.66 3hrd s SER 261 Ca 0.59 -0.56 0.39 0.00 0.48 0.00 0.00 55.95 56.85 3hrd s SER 261 Cb -0.51 -0.33 1.83 0.00 0.10 0.00 0.00 66.02 67.12 3hrd s SER 261 CO 0.60 -0.99 2.15 -0.55 0.98 0.00 0.00 173.24 175.43 3hrd h ASN 262 N 0.45 0.00 0.02 7.02 -1.07 -1.98 -2.10 115.58 117.92 3hrd h ASN 262 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.01 3hrd h ASN 262 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 3hrd h ASN 262 CO 0.44 0.00 -0.02 0.54 0.07 0.00 0.00 177.43 178.46 3hrd n ARG 263 N -3.09 1.41 -0.10 4.14 1.74 -1.26 -3.80 116.66 115.70 3hrd n ARG 263 Ca -0.01 -0.67 -0.12 0.00 -0.77 0.00 0.00 57.85 56.28 3hrd n ARG 263 Cb 0.20 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.01 3hrd n ARG 263 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hrd n ASP 264 N -0.21 0.59 -4.71 0.55 8.00 -0.79 -4.99 116.55 114.99 3hrd n ASP 264 Ca 0.20 -0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.24 3hrd n ASP 264 Cb 0.29 0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 41.94 3hrd n ASP 264 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3hrd n VAL 265 N -2.91 1.55 -2.22 2.53 0.31 -1.22 -4.67 118.33 111.71 3hrd n VAL 265 Ca -0.36 -0.39 -0.21 0.00 -0.01 0.00 0.00 64.34 63.37 3hrd n VAL 265 Cb 1.11 -1.66 0.13 0.00 -0.91 0.00 0.00 33.84 32.50 3hrd n VAL 265 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3hrd n PRO 266 N 1.21 -0.41 -2.28 5.55 -0.04 -1.25 -5.00 135.00 132.77 3hrd n PRO 266 Ca 0.07 -1.99 -0.42 0.00 -0.04 0.00 0.00 63.50 61.12 3hrd n PRO 266 Cb 0.35 -0.77 -0.03 0.00 -0.04 0.00 0.00 33.50 33.02 3hrd n PRO 266 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3hrd s GLU 267 N -4.90 4.28 -0.25 0.54 2.12 -0.64 -4.91 118.70 114.93 3hrd s GLU 267 Ca 0.57 1.88 -0.01 0.00 0.36 0.00 0.00 54.97 57.77 3hrd s GLU 267 Cb -0.02 -3.63 0.03 0.00 0.26 0.00 0.00 34.13 30.77 3hrd s GLU 267 CO 0.39 -0.59 -0.06 0.42 -0.54 0.00 0.00 175.26 174.87 3hrd s ILE 268 N 2.65 2.77 -0.39 -3.70 1.01 -1.26 -0.58 121.20 121.71 3hrd s ILE 268 Ca 0.62 -1.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.02 3hrd s ILE 268 Cb -0.29 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 39.78 3hrd s ILE 268 CO 0.24 0.14 0.21 -1.00 0.00 0.00 0.00 174.94 174.53 3hrd s HIS 269 N 1.29 3.28 0.13 3.97 3.76 0.77 -5.00 115.29 123.49 3hrd s HIS 269 Ca -0.01 -1.28 -0.07 0.00 -0.15 0.00 0.00 55.06 53.54 3hrd s HIS 269 Cb -0.17 -2.63 -0.06 0.00 1.11 0.00 0.00 32.58 30.83 3hrd s HIS 269 CO -0.04 -0.75 0.41 -1.54 -0.85 0.00 0.00 174.74 171.96 3hrd s SER 270 N 1.76 6.56 -0.09 1.40 1.04 -1.26 -1.07 113.70 122.05 3hrd s SER 270 Ca 0.02 0.71 -0.01 0.00 0.48 0.00 0.00 55.95 57.14 3hrd s SER 270 Cb -0.21 -2.14 0.03 0.00 0.10 0.00 0.00 66.02 63.80 3hrd s SER 270 CO 0.04 0.08 -0.04 -0.63 0.98 0.00 0.00 173.24 173.67 3hrd s ILE 271 N -1.58 0.72 -0.35 -1.02 1.01 0.33 -4.91 121.20 115.41 3hrd s ILE 271 Ca 0.39 -0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.74 3hrd s ILE 271 Cb -0.13 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.54 3hrd s ILE 271 CO 0.22 0.32 0.58 -0.76 0.00 0.00 0.00 174.94 175.30 3hrd s LEU 272 N 1.81 4.29 -0.16 2.97 1.02 -1.26 -0.88 118.68 126.47 3hrd s LEU 272 Ca 0.05 0.09 -0.07 0.00 0.02 0.00 0.00 54.13 54.21 3hrd s LEU 272 Cb -0.12 -2.70 -0.04 0.00 0.02 0.00 0.00 46.19 43.34 3hrd s LEU 272 CO -0.07 -0.54 0.08 -0.69 0.02 0.00 0.00 176.35 175.15 3hrd s VAL 273 N 2.57 4.96 0.08 -1.59 1.01 0.79 -4.95 120.40 123.26 3hrd s VAL 273 Ca 0.22 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.24 3hrd s VAL 273 Cb -0.15 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3hrd s VAL 273 CO 0.14 0.50 0.15 -1.61 0.00 0.00 0.00 175.10 174.28 3hrd s GLU 274 N 0.01 3.16 0.01 2.72 2.02 -1.26 -0.56 118.70 124.81 3hrd s GLU 274 Ca 0.07 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 3hrd s GLU 274 Cb -0.12 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 3hrd s GLU 274 CO 0.01 0.58 -0.01 -1.54 0.02 0.00 0.00 175.26 174.32 3hrd s SER 275 N -2.52 0.16 0.29 -0.19 1.04 -0.30 -4.84 113.70 107.34 3hrd s SER 275 Ca 0.32 -0.34 0.06 0.00 0.48 0.00 0.00 55.95 56.47 3hrd s SER 275 Cb -0.12 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 3hrd s SER 275 CO 0.25 -0.23 0.41 -1.61 0.98 0.00 0.00 173.24 173.04 3hrd s GLU 276 N -1.07 3.24 0.00 4.02 0.41 -1.26 -4.49 118.70 119.56 3hrd s GLU 276 Ca -0.12 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 53.53 3hrd s GLU 276 Cb -0.07 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 3hrd s GLU 276 CO -0.01 0.24 0.00 0.41 -0.49 0.00 0.00 175.26 175.41 3hrd n GLY 277 N -1.52 2.79 3.50 -1.39 0.00 -1.26 -5.04 105.19 102.27 3hrd n GLY 277 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 3hrd n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrd n GLY 278 N -2.00 -1.02 0.00 -0.02 0.00 -1.26 -4.88 105.19 96.00 3hrd n GLY 278 Ca 0.00 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.43 3hrd n GLY 278 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hrd n PRO 279 N 0.81 0.27 -1.92 1.61 -0.04 -1.26 -4.06 135.00 130.41 3hrd n PRO 279 Ca 0.13 0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.34 3hrd n PRO 279 Cb 0.31 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.46 3hrd n PRO 279 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hrd s GLY 280 N -2.68 1.80 -0.14 0.55 0.00 -1.26 -4.87 107.32 100.72 3hrd s GLY 280 Ca 0.21 -1.26 -0.32 0.00 0.00 0.00 0.00 44.72 43.35 3hrd s GLY 280 CO 0.40 -0.46 2.04 -1.55 0.00 0.00 0.00 173.10 173.53 3hrd n PRO 281 N -3.83 2.08 -1.86 2.90 -0.04 -1.26 -0.29 135.00 132.70 3hrd n PRO 281 Ca 0.16 0.70 -0.18 0.00 -0.04 0.00 0.00 63.50 64.13 3hrd n PRO 281 Cb 0.59 -2.84 -0.05 0.00 -0.04 0.00 0.00 33.50 31.16 3hrd n PRO 281 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hrd n PHE 282 N 8.61 -0.49 -0.79 0.54 3.72 -1.26 -1.15 117.46 126.63 3hrd n PHE 282 Ca 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 3hrd n PHE 282 Cb 0.34 -3.35 0.00 0.00 -0.94 0.00 0.00 39.48 35.53 3hrd n PHE 282 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hrd n GLY 283 N -0.57 0.54 3.80 1.37 0.00 0.60 -4.74 105.19 106.19 3hrd n GLY 283 Ca -0.20 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 3hrd n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd s ALA 284 N -2.00 3.44 0.25 4.61 0.00 -0.30 -3.58 121.76 124.18 3hrd s ALA 284 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.20 3hrd s ALA 284 Cb 0.00 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 3hrd s ALA 284 CO 0.00 0.33 0.01 -1.59 0.00 0.00 0.00 175.76 174.50 3hrd s LYS 285 N -1.67 1.42 0.69 0.00 -2.85 -0.60 -4.03 119.74 112.69 3hrd s LYS 285 Ca 0.40 -1.73 -0.15 0.00 -1.00 0.00 0.00 55.97 53.48 3hrd s LYS 285 Cb -0.19 -0.70 0.02 0.00 -2.06 0.00 0.00 37.83 34.90 3hrd s LYS 285 CO 0.22 -0.11 1.16 0.20 0.10 0.00 0.00 175.35 176.93 3hrd s GLY 286 N -3.35 2.29 0.00 0.59 0.00 -1.26 -4.74 107.32 100.85 3hrd s GLY 286 Ca 0.30 0.74 0.00 0.00 0.00 0.00 0.00 44.72 45.77 3hrd s GLY 286 CO 0.11 1.13 0.00 1.55 0.00 0.00 0.00 173.10 175.88 3hrd n VAL 287 N -2.49 0.00 -0.20 1.40 3.14 -1.26 -4.80 118.33 114.12 3hrd n VAL 287 Ca 0.12 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.41 3hrd n VAL 287 Cb 0.51 0.99 -0.04 0.00 -1.06 0.00 0.00 33.84 34.24 3hrd n VAL 287 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3hrd h GLY 288 N 0.00 -0.51 0.95 7.55 0.00 -1.94 0.30 103.07 109.42 3hrd h GLY 288 Ca 0.00 0.58 -0.33 0.00 0.00 0.00 0.00 47.33 47.59 3hrd h GLY 288 CO 0.00 -0.15 -1.74 0.83 0.00 0.00 0.00 176.54 175.48 3hrd h GLU 289 N -0.24 0.21 -0.72 4.80 5.08 -1.94 -3.34 114.58 118.44 3hrd h GLU 289 Ca 0.17 -0.36 0.15 0.00 -1.00 0.00 0.00 59.36 58.33 3hrd h GLU 289 Cb 0.56 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 3hrd h GLU 289 CO -0.69 1.03 0.49 -1.35 -1.00 0.00 0.00 179.01 177.49 3hrd h PRO 290 N 0.06 0.31 -0.19 2.33 0.11 -1.81 -0.68 132.00 132.12 3hrd h PRO 290 Ca -0.32 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.83 3hrd h PRO 290 Cb 2.03 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 33.06 3hrd h PRO 290 CO 0.12 0.20 0.17 0.00 -0.21 0.00 0.00 178.00 178.28 3hrd h ALA 291 N 1.66 1.95 0.00 -0.75 0.00 -1.06 -3.20 119.26 117.86 3hrd h ALA 291 Ca 0.35 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.03 3hrd h ALA 291 Cb 0.92 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3hrd h ALA 291 CO -0.09 -0.26 -1.27 -0.11 0.00 0.00 0.00 179.25 177.51 3hrd n LEU 292 N -4.08 1.86 -0.25 0.00 7.94 -0.27 -3.62 117.00 118.57 3hrd n LEU 292 Ca 0.02 0.43 -0.07 0.00 -1.11 0.00 0.00 56.01 55.28 3hrd n LEU 292 Cb 0.30 -0.95 -0.06 0.00 0.53 0.00 0.00 43.42 43.23 3hrd n LEU 292 CO 0.31 0.24 0.47 -0.38 -1.11 0.00 0.00 177.39 176.91 3hrd n ILE 293 N -4.44 -0.40 0.09 1.96 5.41 -1.15 -2.57 119.36 118.27 3hrd n ILE 293 Ca -0.32 1.98 0.16 0.00 1.00 0.00 0.00 62.75 65.58 3hrd n ILE 293 Cb 0.66 -2.50 0.68 0.00 -0.71 0.00 0.00 39.64 37.77 3hrd n ILE 293 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3hrd h PRO 294 N 0.00 0.00 -0.75 0.38 0.13 -1.86 -2.68 132.00 127.22 3hrd h PRO 294 Ca 0.10 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.27 3hrd h PRO 294 Cb 0.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.32 3hrd h PRO 294 CO -0.56 0.00 0.46 1.98 -0.23 0.00 0.00 178.00 179.65 3hrd h MET 295 N 0.00 0.84 0.26 0.86 1.85 -1.79 -2.86 114.93 114.09 3hrd h MET 295 Ca 0.16 -0.05 0.01 0.00 -0.61 0.00 0.00 59.70 59.21 3hrd h MET 295 Cb 0.66 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 32.47 3hrd h MET 295 CO -0.00 0.55 -0.34 0.82 -0.40 0.00 0.00 176.91 177.54 3hrd h ILE 296 N 0.86 0.29 0.00 1.77 2.04 -1.59 -1.15 117.51 119.74 3hrd h ILE 296 Ca 0.31 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.12 3hrd h ILE 296 Cb 0.10 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3hrd h ILE 296 CO -0.14 0.00 -0.24 1.55 0.00 0.00 0.00 178.15 179.32 3hrd h PRO 297 N -0.66 0.00 -0.19 2.37 0.13 -1.70 -2.69 132.00 129.26 3hrd h PRO 297 Ca -0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 3hrd h PRO 297 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 3hrd h PRO 297 CO -0.11 0.24 -0.09 0.00 -0.23 0.00 0.00 178.00 177.81 3hrd h ALA 298 N 1.76 0.27 -0.66 -0.56 0.00 -1.23 -1.00 119.26 117.85 3hrd h ALA 298 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3hrd h ALA 298 Cb 0.46 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3hrd h ALA 298 CO 0.03 0.09 0.39 0.28 0.00 0.00 0.00 179.25 180.04 3hrd h VAL 299 N 0.10 1.20 0.38 0.00 2.07 -1.06 0.19 116.25 119.12 3hrd h VAL 299 Ca 0.04 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3hrd h VAL 299 Cb 0.57 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3hrd h VAL 299 CO 0.03 0.21 -0.19 0.58 0.02 0.00 0.00 177.57 178.21 3hrd h VAL 300 N 0.90 0.60 -1.01 2.57 2.07 -1.40 -1.43 116.25 118.56 3hrd h VAL 300 Ca 0.24 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.83 3hrd h VAL 300 Cb -0.00 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 3hrd h VAL 300 CO -0.04 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.20 3hrd h ALA 301 N 0.09 1.43 -0.71 1.67 0.00 -0.92 -1.19 119.26 119.63 3hrd h ALA 301 Ca -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hrd h ALA 301 Cb 0.41 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hrd h ALA 301 CO 0.08 0.40 0.34 0.00 0.00 0.00 0.00 179.25 180.07 3hrd h ALA 302 N 1.47 1.26 -0.27 0.00 0.00 -0.20 -0.29 119.26 121.23 3hrd h ALA 302 Ca 0.45 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 3hrd h ALA 302 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hrd h ALA 302 CO -0.19 0.57 -0.44 0.82 0.00 0.00 0.00 179.25 180.00 3hrd h ILE 303 N 1.01 1.30 -0.58 0.00 2.04 -0.18 -1.73 117.51 119.37 3hrd h ILE 303 Ca 0.25 -1.63 -0.03 0.00 1.00 0.00 0.00 64.86 64.45 3hrd h ILE 303 Cb 0.10 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3hrd h ILE 303 CO -0.03 0.52 0.25 -0.33 0.00 0.00 0.00 178.15 178.56 3hrd h GLU 304 N 0.55 0.85 -0.63 2.37 5.08 -0.65 -1.41 114.58 120.73 3hrd h GLU 304 Ca 0.04 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3hrd h GLU 304 Cb 0.98 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3hrd h GLU 304 CO 0.09 0.71 0.19 0.22 -1.00 0.00 0.00 179.01 179.23 3hrd h ASP 305 N 0.79 0.89 -0.22 1.42 3.58 -0.91 1.09 116.42 123.06 3hrd h ASP 305 Ca 0.19 -0.15 -0.17 0.00 0.42 0.00 0.00 57.03 57.32 3hrd h ASP 305 Cb 0.17 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 3hrd h ASP 305 CO -0.02 0.84 -0.50 0.00 -2.88 0.00 0.00 179.24 176.68 3hrd h ALA 306 N 1.28 0.58 0.00 -0.78 0.00 -1.00 -3.34 119.26 116.00 3hrd h ALA 306 Ca 0.21 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3hrd h ALA 306 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3hrd h ALA 306 CO -0.01 0.68 -1.74 1.28 0.00 0.00 0.00 179.25 179.46 3hrd n LEU 307 N -4.01 0.42 0.00 0.00 4.77 -0.56 -4.71 117.00 112.91 3hrd n LEU 307 Ca -0.03 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3hrd n LEU 307 Cb 0.59 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 3hrd n LEU 307 CO 0.49 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3hrd n GLY 308 N 1.40 0.54 3.30 -0.72 0.00 0.37 -5.06 105.19 105.03 3hrd n GLY 308 Ca -0.12 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 3hrd n GLY 308 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hrd s THR 309 N -2.00 0.00 0.02 2.61 -4.23 -1.14 -5.06 115.64 105.85 3hrd s THR 309 Ca 0.00 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 3hrd s THR 309 Cb 0.00 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 3hrd s THR 309 CO 0.00 0.00 0.09 -0.13 -0.54 0.00 0.00 174.62 174.04 3hrd s ARG 310 N -3.48 3.04 -0.19 3.99 1.81 -1.26 -4.42 118.95 118.44 3hrd s ARG 310 Ca 0.39 -0.54 -0.04 0.00 -1.72 0.00 0.00 55.73 53.82 3hrd s ARG 310 Cb 0.03 -2.83 0.06 0.00 -0.45 0.00 0.00 34.95 31.75 3hrd s ARG 310 CO 0.25 0.62 0.05 -0.06 -0.68 0.00 0.00 175.30 175.49 3hrd s PHE 311 N -1.27 0.74 -0.88 -0.53 0.08 -1.26 -5.00 117.98 109.85 3hrd s PHE 311 Ca 0.26 -0.66 0.10 0.00 0.12 0.00 0.00 56.93 56.74 3hrd s PHE 311 Cb -0.12 -0.91 0.25 0.00 -0.57 0.00 0.00 43.02 41.67 3hrd s PHE 311 CO 0.17 -0.57 1.18 0.25 -0.10 0.00 0.00 175.22 176.15 3hrd n THR 312 N 5.13 0.89 -4.49 0.64 -2.24 -1.26 -4.97 114.28 107.98 3hrd n THR 312 Ca -0.08 -0.95 -0.21 0.00 -2.27 0.00 0.00 64.05 60.55 3hrd n THR 312 Cb 0.48 0.58 -0.15 0.00 -2.10 0.00 0.00 70.33 69.13 3hrd n THR 312 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hrd s HIS 313 N -0.98 1.05 0.16 4.78 3.76 -1.26 -5.15 115.29 117.65 3hrd s HIS 313 Ca 0.20 -0.23 0.08 0.00 -0.15 0.00 0.00 55.06 54.96 3hrd s HIS 313 Cb 0.11 -0.70 -0.04 0.00 1.11 0.00 0.00 32.58 33.05 3hrd s HIS 313 CO 0.14 -0.05 -0.06 0.95 -0.85 0.00 0.00 174.74 174.87 3hrd s THR 314 N -0.10 3.43 0.69 1.30 -4.23 -1.26 -4.40 115.64 111.07 3hrd s THR 314 Ca 0.02 -1.48 -0.10 0.00 -1.18 0.00 0.00 61.69 58.94 3hrd s THR 314 Cb -0.06 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.11 3hrd s THR 314 CO 0.00 -0.06 1.07 -2.16 -0.54 0.00 0.00 174.62 172.93 3hrd s PRO 315 N -2.73 2.78 -0.57 3.99 0.04 -1.26 -5.11 135.00 132.13 3hrd s PRO 315 Ca 0.25 0.33 -0.07 0.00 0.04 0.00 0.00 61.00 61.55 3hrd s PRO 315 Cb -0.09 -2.06 0.15 0.00 0.04 0.00 0.00 34.50 32.53 3hrd s PRO 315 CO 0.16 -1.03 0.43 0.42 0.04 0.00 0.00 177.00 177.02 3hrd s ILE 316 N -3.31 4.18 0.48 0.56 1.01 0.16 -5.02 121.20 119.26 3hrd s ILE 316 Ca 0.58 -2.31 -0.01 0.00 0.00 0.00 0.00 60.65 58.91 3hrd s ILE 316 Cb -0.11 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3hrd s ILE 316 CO 0.50 -0.84 0.72 -0.04 0.00 0.00 0.00 174.94 175.28 3hrd s MET 317 N 0.68 2.98 0.29 2.79 -1.94 -1.26 -4.58 119.30 118.27 3hrd s MET 317 Ca 0.12 -0.44 0.05 0.00 -1.71 0.00 0.00 55.69 53.70 3hrd s MET 317 Cb -0.21 -2.51 0.75 0.00 2.01 0.00 0.00 34.83 34.87 3hrd s MET 317 CO -0.03 -0.39 1.70 -1.35 -0.01 0.00 0.00 175.02 174.94 3hrd h PRO 318 N 0.27 0.41 -0.31 2.03 0.11 -1.88 0.21 132.00 132.84 3hrd h PRO 318 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3hrd h PRO 318 Cb 1.26 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3hrd h PRO 318 CO 0.57 0.27 0.13 1.57 -0.21 0.00 0.00 178.00 180.33 3hrd h LYS 319 N 0.42 0.43 -0.02 1.05 2.10 -1.87 -0.60 116.57 118.08 3hrd h LYS 319 Ca 0.57 -0.05 -0.16 0.00 -2.00 0.00 0.00 60.65 59.02 3hrd h LYS 319 Cb 1.09 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 32.31 3hrd h LYS 319 CO -0.52 0.35 -0.71 -0.44 -2.00 0.00 0.00 179.45 176.14 3hrd h ASP 320 N 0.44 0.16 0.04 7.07 3.32 -0.98 -1.46 116.42 125.01 3hrd h ASP 320 Ca 0.11 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hrd h ASP 320 Cb 0.08 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hrd h ASP 320 CO -0.01 0.81 -0.02 0.40 -1.72 0.00 0.00 179.24 178.70 3hrd h ILE 321 N 0.09 1.26 -0.47 0.35 1.08 -0.50 -2.41 117.51 116.92 3hrd h ILE 321 Ca -0.02 -1.02 -0.00 0.00 -0.39 0.00 0.00 64.86 63.43 3hrd h ILE 321 Cb 1.25 1.94 -0.02 0.00 -3.07 0.00 0.00 36.82 36.92 3hrd h ILE 321 CO 0.10 0.26 0.29 0.58 -0.69 0.00 0.00 178.15 178.69 3hrd h VAL 322 N -0.51 1.14 -0.61 1.67 2.07 -1.16 -0.87 116.25 117.98 3hrd h VAL 322 Ca -0.01 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.27 3hrd h VAL 322 Cb 0.46 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3hrd h VAL 322 CO 0.01 0.14 0.33 0.00 0.02 0.00 0.00 177.57 178.07 3hrd h ALA 323 N 1.14 0.80 -0.33 1.67 0.00 -1.29 0.21 119.26 121.47 3hrd h ALA 323 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hrd h ALA 323 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hrd h ALA 323 CO -0.03 0.00 0.16 0.00 0.00 0.00 0.00 179.25 179.38 3hrd h ALA 324 N 1.32 0.43 -0.29 0.00 0.00 -1.10 -0.08 119.26 119.53 3hrd h ALA 324 Ca 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hrd h ALA 324 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hrd h ALA 324 CO -0.17 -0.01 0.15 0.28 0.00 0.00 0.00 179.25 179.50 3hrd h VAL 325 N 0.40 1.14 -0.15 0.00 2.07 -0.53 -2.06 116.25 117.12 3hrd h VAL 325 Ca 0.11 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 3hrd h VAL 325 Cb 0.12 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3hrd h VAL 325 CO -0.01 0.14 -0.00 0.11 0.02 0.00 0.00 177.57 177.83 3hrd h LYS 326 N 0.35 0.21 0.00 1.57 1.79 -0.43 -1.28 116.57 118.77 3hrd h LYS 326 Ca 0.10 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3hrd h LYS 326 Cb 0.09 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3hrd h LYS 326 CO -0.01 0.24 0.00 0.00 -1.08 0.00 0.00 179.45 178.59 3hrd n ALA 327 N -2.50 1.87 0.05 3.86 0.00 -0.06 -2.55 120.51 121.17 3hrd n ALA 327 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.48 3hrd n ALA 327 Cb 0.16 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 3hrd n ALA 327 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hrd n GLN 328 N -1.86 0.62 0.00 0.00 6.02 -0.49 -4.83 117.38 116.85 3hrd n GLN 328 Ca 0.04 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 3hrd n GLN 328 Cb 0.26 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.75 3hrd n GLN 328 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hrd n GLU 329 N -2.72 0.00 0.00 -1.09 1.02 -1.06 -5.13 120.64 111.67 3hrd n GLU 329 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3hrd n GLU 329 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.12 3hrd n GLU 329 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94