#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3caw s ILE 4 N 0.00 0.56 0.23 -0.18 1.01 -1.25 -1.21 121.20 120.36 3caw s ILE 4 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.67 3caw s ILE 4 Cb 0.00 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 3caw s ILE 4 CO 0.00 0.27 -0.11 -0.44 0.00 0.00 0.00 174.94 174.66 3caw s SER 5 N 1.50 2.59 0.14 3.58 0.01 -0.07 0.27 113.70 121.71 3caw s SER 5 Ca -0.02 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.17 3caw s SER 5 Cb -0.13 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 3caw s SER 5 CO -0.03 -0.24 0.01 -0.72 0.41 0.00 0.00 173.24 172.67 3caw s TYR 6 N -3.01 0.99 -0.10 2.43 1.13 0.69 -0.95 117.35 118.54 3caw s TYR 6 Ca 0.25 -1.09 -0.03 0.00 -1.41 0.00 0.00 57.07 54.78 3caw s TYR 6 Cb 0.01 -0.57 0.05 0.00 -1.10 0.00 0.00 41.96 40.34 3caw s TYR 6 CO 0.08 -0.33 0.10 0.45 -2.51 0.00 0.00 175.55 173.35 3caw s SER 7 N -3.09 1.46 0.64 -0.18 0.15 -0.63 -0.53 113.70 111.52 3caw s SER 7 Ca 0.21 -0.11 -0.13 0.00 0.70 0.00 0.00 55.95 56.62 3caw s SER 7 Cb 0.07 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.32 3caw s SER 7 CO 0.01 -0.29 1.05 -2.16 1.20 0.00 0.00 173.24 173.05 3caw s PRO 8 N 2.20 3.23 0.21 5.44 0.04 -1.26 -0.33 135.00 144.53 3caw s PRO 8 Ca 0.04 0.99 -0.20 0.00 0.04 0.00 0.00 61.00 61.87 3caw s PRO 8 Cb -0.14 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.41 3caw s PRO 8 CO -0.06 -0.87 0.59 1.52 0.04 0.00 0.00 177.00 178.22 3caw s TYR 9 N -2.87 -0.26 -0.00 0.56 1.13 -0.69 -4.88 117.35 110.34 3caw s TYR 9 Ca 0.59 -0.07 0.03 0.00 -1.41 0.00 0.00 57.07 56.21 3caw s TYR 9 Cb -0.14 0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 41.23 3caw s TYR 9 CO 0.48 -0.98 -0.09 0.95 -2.51 0.00 0.00 175.55 173.40 3caw s THR 10 N -3.85 0.70 -0.09 -3.49 -4.23 -1.26 -2.27 115.64 101.15 3caw s THR 10 Ca 0.07 -0.45 0.03 0.00 -1.18 0.00 0.00 61.69 60.17 3caw s THR 10 Cb -0.02 -0.60 -0.01 0.00 1.34 0.00 0.00 72.50 73.21 3caw s THR 10 CO -0.03 0.15 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.23 3caw s LEU 11 N -0.34 2.34 -0.26 4.79 1.43 0.58 -4.92 118.68 122.31 3caw s LEU 11 Ca 0.03 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 3caw s LEU 11 Cb -0.04 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 3caw s LEU 11 CO -0.00 0.21 0.08 -0.54 0.23 0.00 0.00 176.35 176.34 3caw s LYS 12 N 0.04 3.64 0.57 1.70 1.02 -1.26 -0.17 119.74 125.28 3caw s LYS 12 Ca -0.08 -0.49 -0.21 0.00 0.02 0.00 0.00 55.97 55.22 3caw s LYS 12 Cb -0.15 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 3caw s LYS 12 CO 0.05 -0.21 1.26 -2.30 -0.92 0.00 0.00 175.35 173.23 3caw n PRO 13 N 4.94 1.42 -0.05 -1.68 -0.02 -1.26 -0.15 135.00 138.20 3caw n PRO 13 Ca -0.16 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3caw n PRO 13 Cb 0.51 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3caw n PRO 13 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3caw n VAL 14 N -1.29 0.38 -4.41 -1.45 0.31 -0.64 -4.61 118.33 106.62 3caw n VAL 14 Ca 0.12 -0.05 -0.21 0.00 -0.01 0.00 0.00 64.34 64.19 3caw n VAL 14 Cb 0.45 -0.81 -0.10 0.00 -0.91 0.00 0.00 33.84 32.48 3caw n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3caw s ALA 25 N 0.94 2.32 0.01 3.52 0.00 -1.26 -5.03 121.76 122.26 3caw s ALA 25 Ca 0.00 -1.81 0.08 0.00 0.00 0.00 0.00 51.96 50.22 3caw s ALA 25 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 3caw s ALA 25 CO 0.00 0.05 -0.24 1.03 0.00 0.00 0.00 175.76 176.61 3caw s ARG 26 N -3.65 1.78 -0.00 0.00 0.52 0.76 -4.94 118.95 113.42 3caw s ARG 26 Ca 0.27 -0.92 0.03 0.00 -0.52 0.00 0.00 55.73 54.59 3caw s ARG 26 Cb 0.00 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 3caw s ARG 26 CO 0.11 0.48 -0.05 -1.21 0.02 0.00 0.00 175.30 174.65 3caw s GLU 27 N -0.82 2.63 0.31 3.54 2.02 -1.26 -0.30 118.70 124.80 3caw s GLU 27 Ca 0.09 -0.68 -0.18 0.00 0.02 0.00 0.00 54.97 54.22 3caw s GLU 27 Cb -0.09 -2.55 0.07 0.00 0.10 0.00 0.00 34.13 31.65 3caw s GLU 27 CO 0.00 0.61 0.90 0.20 0.02 0.00 0.00 175.26 177.00 3caw s GLY 28 N -1.40 0.30 0.01 -1.39 0.00 -0.96 -4.57 107.32 99.31 3caw s GLY 28 Ca 0.17 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.26 3caw s GLY 28 CO 0.08 1.01 0.00 -1.34 0.00 0.00 0.00 173.10 172.84 3caw s VAL 29 N -2.10 0.10 0.18 1.40 -7.23 -0.93 -1.70 120.40 110.11 3caw s VAL 29 Ca 0.19 -0.79 -0.07 0.00 -1.81 0.00 0.00 61.98 59.50 3caw s VAL 29 Cb -0.04 -0.27 -0.06 0.00 0.56 0.00 0.00 36.38 36.57 3caw s VAL 29 CO 0.09 -0.44 0.45 -0.76 -0.31 0.00 0.00 175.10 174.13 3caw s LEU 30 N -1.31 4.22 -0.00 1.32 1.43 0.56 -1.50 118.68 123.40 3caw s LEU 30 Ca -0.14 0.73 0.08 0.00 -1.03 0.00 0.00 54.13 53.76 3caw s LEU 30 Cb -0.09 -3.47 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 3caw s LEU 30 CO -0.01 -0.00 -0.25 -0.76 0.23 0.00 0.00 176.35 175.57 3caw s LEU 31 N -2.73 2.08 -0.22 1.79 1.43 0.99 -1.60 118.68 120.42 3caw s LEU 31 Ca 0.44 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 3caw s LEU 31 Cb -0.12 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.88 3caw s LEU 31 CO 0.23 0.28 -0.12 -0.75 0.23 0.00 0.00 176.35 176.23 3caw s LYS 32 N -0.75 2.91 -0.08 1.70 2.20 -0.12 -1.63 119.74 123.95 3caw s LYS 32 Ca 0.10 -0.91 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 3caw s LYS 32 Cb -0.09 -2.81 -0.02 0.00 -1.51 0.00 0.00 37.83 33.39 3caw s LYS 32 CO -0.00 -0.31 -0.13 0.08 -0.36 0.00 0.00 175.35 174.63 3caw s VAL 33 N 1.31 3.16 -0.04 4.02 1.01 -0.18 -0.89 120.40 128.78 3caw s VAL 33 Ca 0.02 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.38 3caw s VAL 33 Cb -0.15 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3caw s VAL 33 CO -0.08 0.57 -0.19 -1.61 0.00 0.00 0.00 175.10 173.79 3caw s GLU 34 N -0.36 1.91 0.49 2.72 2.02 -0.35 -1.01 118.70 124.12 3caw s GLU 34 Ca 0.04 -0.68 0.06 0.00 0.02 0.00 0.00 54.97 54.41 3caw s GLU 34 Cb -0.12 -1.67 0.01 0.00 0.10 0.00 0.00 34.13 32.45 3caw s GLU 34 CO 0.02 0.30 0.37 -1.58 0.02 0.00 0.00 175.26 174.39 3caw s TRP 35 N -0.07 2.03 0.06 1.61 0.51 0.16 -2.01 118.94 121.22 3caw s TRP 35 Ca -0.02 -0.72 -0.27 0.00 -2.12 0.00 0.00 56.10 52.98 3caw s TRP 35 Cb -0.11 -1.99 -0.17 0.00 -0.81 0.00 0.00 33.47 30.39 3caw s TRP 35 CO 0.02 -0.31 1.55 -0.97 -0.51 0.00 0.00 176.95 176.73 3caw h ASN 36 N 0.91 -0.31 0.00 2.95 -1.24 -2.01 -2.82 115.58 113.06 3caw h ASN 36 Ca -0.39 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.55 3caw h ASN 36 Cb 1.29 0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.41 3caw h ASN 36 CO 0.59 -0.12 0.00 -0.90 -1.29 0.00 0.00 177.43 175.71 3caw n ASP 37 N -5.19 0.00 0.00 1.15 5.68 -1.26 -4.66 116.55 112.26 3caw n ASP 37 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 3caw n ASP 37 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3caw n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3caw n GLY 38 N -0.50 0.68 3.89 6.12 0.00 -1.06 -5.04 105.19 109.27 3caw n GLY 38 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3caw n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3caw s LEU 39 N 0.00 4.13 -0.01 0.99 1.43 -1.26 -4.90 118.68 119.06 3caw s LEU 39 Ca 0.00 0.76 -0.04 0.00 -1.03 0.00 0.00 54.13 53.81 3caw s LEU 39 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3caw s LEU 39 CO 0.00 -0.11 0.09 -0.72 0.23 0.00 0.00 176.35 175.84 3caw s TYR 40 N -1.92 0.02 0.27 0.29 -0.85 -1.26 -0.66 117.35 113.24 3caw s TYR 40 Ca 0.44 -0.04 -0.04 0.00 -0.52 0.00 0.00 57.07 56.92 3caw s TYR 40 Cb -0.11 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.17 3caw s TYR 40 CO 0.26 -0.17 0.35 0.20 -1.52 0.00 0.00 175.55 174.68 3caw s GLY 41 N -0.77 1.28 0.12 5.49 0.00 -0.18 -4.15 107.32 109.10 3caw s GLY 41 Ca -0.09 -1.44 0.08 0.00 0.00 0.00 0.00 44.72 43.27 3caw s GLY 41 CO 0.00 -1.06 -0.19 -1.36 0.00 0.00 0.00 173.10 170.49 3caw s PHE 42 N -3.71 1.73 0.30 1.90 0.08 -1.26 -1.01 117.98 116.01 3caw s PHE 42 Ca 0.32 -0.44 -0.16 0.00 0.12 0.00 0.00 56.93 56.77 3caw s PHE 42 Cb 0.02 -0.92 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 3caw s PHE 42 CO 0.15 0.22 0.64 0.00 -0.10 0.00 0.00 175.22 176.13 3caw s ALA 43 N -1.46 -0.63 0.16 5.36 0.00 -0.65 -4.06 121.76 120.49 3caw s ALA 43 Ca 0.08 -0.70 0.08 0.00 0.00 0.00 0.00 51.96 51.43 3caw s ALA 43 Cb -0.09 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 3caw s ALA 43 CO 0.05 -0.95 -0.10 0.34 0.00 0.00 0.00 175.76 175.10 3caw s ASP 44 N -3.01 4.30 -0.22 0.00 2.15 -1.26 -0.01 116.67 118.62 3caw s ASP 44 Ca 0.17 -0.51 -0.02 0.00 0.43 0.00 0.00 52.55 52.62 3caw s ASP 44 Cb -0.04 -0.76 0.07 0.00 -0.30 0.00 0.00 42.92 41.89 3caw s ASP 44 CO 0.10 0.13 0.03 -0.22 -0.17 0.00 0.00 175.17 175.04 3caw s LEU 45 N -2.63 1.56 -0.35 -1.34 2.96 -0.56 -4.69 118.68 113.63 3caw s LEU 45 Ca 0.24 -1.00 -0.00 0.00 -0.22 0.00 0.00 54.13 53.14 3caw s LEU 45 Cb -0.10 -0.73 0.12 0.00 0.50 0.00 0.00 46.19 45.98 3caw s LEU 45 CO 0.15 -0.31 0.17 -2.28 -1.32 0.00 0.00 176.35 172.75 3caw s HIS 46 N 1.75 1.34 0.50 5.38 2.46 -1.26 -2.19 115.29 123.26 3caw s HIS 46 Ca -0.00 -1.76 -0.20 0.00 0.47 0.00 0.00 55.06 53.56 3caw s HIS 46 Cb -0.17 -1.45 -0.08 0.00 -0.13 0.00 0.00 32.58 30.75 3caw s HIS 46 CO -0.10 -0.83 1.08 -2.14 -2.47 0.00 0.00 174.74 170.27 3caw s PRO 47 N 1.23 3.66 -0.58 2.88 0.02 -1.26 -4.97 135.00 135.98 3caw s PRO 47 Ca 0.14 1.49 0.04 0.00 0.02 0.00 0.00 61.00 62.69 3caw s PRO 47 Cb -0.20 -2.11 0.16 0.00 0.02 0.00 0.00 34.50 32.37 3caw s PRO 47 CO -0.14 -0.57 0.41 -1.58 -0.33 0.00 0.00 177.00 174.79 3caw s TRP 48 N -1.86 2.63 0.50 6.54 0.52 -1.26 -4.93 118.94 121.08 3caw s TRP 48 Ca 0.68 -2.93 0.22 0.00 0.02 0.00 0.00 56.10 54.10 3caw s TRP 48 Cb -0.20 -2.07 1.30 0.00 -1.15 0.00 0.00 33.47 31.35 3caw s TRP 48 CO 0.24 -0.66 1.99 -1.35 0.02 0.00 0.00 176.95 177.18 3caw h PRO 49 N 5.65 0.10 0.00 4.98 0.11 -1.84 0.19 132.00 141.19 3caw h PRO 49 Ca 0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 3caw h PRO 49 Cb 0.82 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 3caw h PRO 49 CO 0.59 0.07 -0.05 0.93 -0.21 0.00 0.00 178.00 179.33 3caw h GLU 50 N 0.11 0.00 -0.38 1.05 3.07 -1.93 -0.91 114.58 115.59 3caw h GLU 50 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3caw h GLU 50 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 3caw h GLU 50 CO -0.03 0.05 0.00 1.28 -1.40 0.00 0.00 179.01 178.91 3caw n LEU 51 N -3.70 3.36 0.00 1.33 4.77 0.64 -4.95 117.00 118.45 3caw n LEU 51 Ca -0.02 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 3caw n LEU 51 Cb 0.14 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3caw n LEU 51 CO 0.28 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3caw n GLY 52 N 1.38 0.70 3.83 -0.72 0.00 -0.35 -5.08 105.19 104.96 3caw n GLY 52 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3caw n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3caw s ASP 53 N -1.77 5.87 0.49 1.61 1.01 -1.05 -4.95 116.67 117.88 3caw s ASP 53 Ca 0.00 1.61 -0.20 0.00 0.71 0.00 0.00 52.55 54.67 3caw s ASP 53 Cb 0.00 -2.50 -0.08 0.00 1.01 0.00 0.00 42.92 41.35 3caw s ASP 53 CO 0.00 -1.11 1.03 -0.76 0.21 0.00 0.00 175.17 174.55 3caw s LEU 54 N -4.97 3.83 1.07 1.23 1.43 -1.26 -4.00 118.68 116.02 3caw s LEU 54 Ca 0.59 1.91 -0.12 0.00 -1.03 0.00 0.00 54.13 55.48 3caw s LEU 54 Cb -0.13 -4.56 0.23 0.00 0.03 0.00 0.00 46.19 41.76 3caw s LEU 54 CO 0.46 -0.78 1.07 -0.94 0.23 0.00 0.00 176.35 176.39 3caw s SER 55 N -2.03 1.76 0.14 2.29 1.04 -1.26 -4.69 113.70 110.95 3caw s SER 55 Ca 0.67 1.69 -0.16 0.00 0.48 0.00 0.00 55.95 58.62 3caw s SER 55 Cb -0.16 -2.35 -0.00 0.00 0.10 0.00 0.00 66.02 63.61 3caw s SER 55 CO 0.20 -3.74 1.76 0.25 0.98 0.00 0.00 173.24 172.69 3caw h LEU 56 N -2.31 0.47 -0.74 2.42 5.85 -1.91 0.16 115.31 119.25 3caw h LEU 56 Ca -0.55 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.12 3caw h LEU 56 Cb 1.31 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3caw h LEU 56 CO 0.49 0.41 0.47 -0.33 -0.34 0.00 0.00 178.44 179.13 3caw h GLU 57 N 0.50 0.89 -0.27 1.25 3.07 -1.98 -2.12 114.58 115.92 3caw h GLU 57 Ca 0.14 -0.05 -0.18 0.00 -0.50 0.00 0.00 59.36 58.76 3caw h GLU 57 Cb 0.03 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 27.74 3caw h GLU 57 CO -0.02 0.59 -0.55 1.49 -1.40 0.00 0.00 179.01 179.11 3caw h GLU 58 N 0.92 0.84 -0.43 2.33 4.81 -1.81 -0.82 114.58 120.41 3caw h GLU 58 Ca 0.30 -0.53 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 3caw h GLU 58 Cb 0.01 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3caw h GLU 58 CO -0.11 1.17 0.13 1.96 -0.73 0.00 0.00 179.01 181.43 3caw h GLN 59 N 0.64 0.67 -0.35 1.92 4.20 -0.76 0.91 115.11 122.33 3caw h GLN 59 Ca 0.01 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.44 3caw h GLN 59 Cb 1.15 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 3caw h GLN 59 CO 0.12 0.65 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.54 3caw h LEU 60 N 0.55 0.82 -0.46 1.46 3.38 -1.40 -0.66 115.31 119.00 3caw h LEU 60 Ca 0.14 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3caw h LEU 60 Cb 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3caw h LEU 60 CO -0.00 1.07 0.25 -1.28 0.09 0.00 0.00 178.44 178.57 3caw h SER 61 N 0.66 0.58 -0.76 -0.43 0.87 -0.92 -2.23 113.55 111.32 3caw h SER 61 Ca 0.07 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 3caw h SER 61 Cb 0.86 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 3caw h SER 61 CO 0.08 0.50 0.27 0.44 -0.53 0.00 0.00 176.83 177.59 3caw h ASP 62 N 0.61 1.08 -0.70 6.23 5.19 -0.60 -2.72 116.42 125.50 3caw h ASP 62 Ca 0.16 -0.19 0.07 0.00 -0.62 0.00 0.00 57.03 56.45 3caw h ASP 62 Cb 0.05 -0.28 -0.06 0.00 0.18 0.00 0.00 39.33 39.22 3caw h ASP 62 CO -0.03 0.98 0.39 0.25 -3.12 0.00 0.00 179.24 177.72 3caw h LEU 63 N 1.12 0.58 -1.36 1.55 5.85 -0.68 0.48 115.31 122.85 3caw h LEU 63 Ca 0.25 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 3caw h LEU 63 Cb 0.27 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3caw h LEU 63 CO -0.01 0.37 0.14 0.03 -0.34 0.00 0.00 178.44 178.62 3caw h ARG 64 N 0.71 0.57 0.00 1.25 3.08 -1.12 -0.68 114.38 118.20 3caw h ARG 64 Ca 0.32 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3caw h ARG 64 Cb 0.22 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3caw h ARG 64 CO -0.20 0.49 0.00 1.98 -1.07 0.00 0.00 179.97 181.18 3caw h MET 65 N 0.57 0.00 0.00 0.04 4.05 -0.71 -3.46 114.93 115.42 3caw h MET 65 Ca 0.14 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 3caw h MET 65 Cb 0.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3caw h MET 65 CO -0.01 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.54 3caw n GLY 66 N 0.17 1.01 3.83 1.39 0.00 -0.26 -5.10 105.19 106.23 3caw n GLY 66 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3caw n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3caw s ARG 67 N -0.31 3.79 -0.18 1.61 3.52 -0.76 -4.96 118.95 121.64 3caw s ARG 67 Ca 0.00 0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.66 3caw s ARG 67 Cb 0.00 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 3caw s ARG 67 CO 0.00 0.62 -0.13 1.41 -0.81 0.00 0.00 175.30 176.39 3caw s MET 68 N -0.67 3.19 0.73 5.12 -2.45 -1.26 -2.56 119.30 121.40 3caw s MET 68 Ca 0.17 -0.74 -0.12 0.00 -1.25 0.00 0.00 55.69 53.75 3caw s MET 68 Cb -0.14 -2.73 0.04 0.00 1.25 0.00 0.00 34.83 33.25 3caw s MET 68 CO 0.06 -0.13 1.10 0.95 1.05 0.00 0.00 175.02 178.06 3caw s THR 69 N 1.19 3.22 0.47 10.11 -4.23 -1.26 -4.82 115.64 120.32 3caw s THR 69 Ca 0.02 0.46 0.15 0.00 -1.18 0.00 0.00 61.69 61.14 3caw s THR 69 Cb -0.14 -2.95 0.21 0.00 1.34 0.00 0.00 72.50 70.96 3caw s THR 69 CO -0.06 -0.45 2.04 0.71 -0.54 0.00 0.00 174.62 176.32 3caw h THR 70 N -0.70 1.09 -0.54 3.99 1.35 -1.98 -0.78 112.91 115.33 3caw h THR 70 Ca -0.45 -0.40 -0.07 0.00 -0.55 0.00 0.00 66.41 64.94 3caw h THR 70 Cb 1.24 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.83 3caw h THR 70 CO 0.52 0.12 0.08 -0.61 -0.25 0.00 0.00 175.52 175.38 3caw h GLN 71 N 0.02 0.90 -0.30 4.72 4.15 -1.81 -0.53 115.11 122.26 3caw h GLN 71 Ca 0.00 -0.25 -0.13 0.00 0.77 0.00 0.00 58.65 59.05 3caw h GLN 71 Cb 0.20 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 3caw h GLN 71 CO 0.01 0.88 -0.35 0.82 -1.93 0.00 0.00 178.83 178.26 3caw h ILE 72 N 0.79 1.29 -0.93 2.39 2.04 -1.64 -1.06 117.51 120.38 3caw h ILE 72 Ca 0.16 -1.50 0.03 0.00 1.00 0.00 0.00 64.86 64.55 3caw h ILE 72 Cb 0.42 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3caw h ILE 72 CO 0.01 0.48 0.62 -0.33 0.00 0.00 0.00 178.15 178.93 3caw h GLU 73 N 0.57 1.18 -0.40 2.37 5.08 -0.80 -0.01 114.58 122.57 3caw h GLU 73 Ca 0.06 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 3caw h GLU 73 Cb 0.87 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3caw h GLU 73 CO 0.08 0.78 -0.29 1.96 -1.00 0.00 0.00 179.01 180.53 3caw h GLN 74 N 1.21 0.86 -0.99 2.33 1.08 -0.68 -0.91 115.11 118.01 3caw h GLN 74 Ca 0.36 -0.39 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3caw h GLN 74 Cb -0.05 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.31 3caw h GLN 74 CO -0.10 1.04 0.66 0.77 -0.95 0.00 0.00 178.83 180.25 3caw h SER 75 N 0.73 1.13 -0.29 1.46 0.02 -0.05 0.71 113.55 117.26 3caw h SER 75 Ca 0.08 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 3caw h SER 75 Cb 0.85 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3caw h SER 75 CO 0.07 0.82 -0.12 0.40 -1.14 0.00 0.00 176.83 176.86 3caw h ILE 76 N 1.34 1.29 -0.76 3.27 1.08 -0.75 0.23 117.51 123.20 3caw h ILE 76 Ca 0.37 -1.20 0.02 0.00 -0.39 0.00 0.00 64.86 63.65 3caw h ILE 76 Cb -0.13 1.46 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 3caw h ILE 76 CO -0.09 0.38 0.50 -0.25 -0.69 0.00 0.00 178.15 178.01 3caw h TRP 77 N 0.35 0.94 -0.33 1.37 7.01 -0.70 -0.29 115.95 124.31 3caw h TRP 77 Ca 0.07 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.00 3caw h TRP 77 Cb 0.63 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 3caw h TRP 77 CO 0.06 0.57 -0.15 -0.07 -2.79 0.00 0.00 178.44 176.06 3caw h LEU 78 N 1.00 0.70 -1.72 0.65 3.38 -0.76 -2.65 115.31 115.91 3caw h LEU 78 Ca 0.29 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3caw h LEU 78 Cb -0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3caw h LEU 78 CO -0.08 0.95 0.23 0.00 0.09 0.00 0.00 178.44 179.63 3caw h ALA 79 N 0.77 1.86 -0.31 1.53 0.00 -0.44 -1.19 119.26 121.49 3caw h ALA 79 Ca 0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3caw h ALA 79 Cb 0.68 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3caw h ALA 79 CO 0.05 0.10 -0.08 -0.09 0.00 0.00 0.00 179.25 179.23 3caw h ARG 80 N 0.37 0.60 -0.46 0.00 9.65 -0.80 0.34 114.38 124.09 3caw h ARG 80 Ca 0.14 -0.23 0.02 0.00 -1.10 0.00 0.00 59.98 58.80 3caw h ARG 80 Cb 0.09 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 3caw h ARG 80 CO -0.03 0.79 0.27 0.00 2.80 0.00 0.00 179.97 183.80 3caw h ARG 81 N 0.37 0.52 -0.81 0.20 3.08 -1.01 -1.13 114.38 115.60 3caw h ARG 81 Ca 0.08 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3caw h ARG 81 Cb 0.58 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 3caw h ARG 81 CO 0.03 0.34 0.52 0.22 -1.07 0.00 0.00 179.97 180.02 3caw h ASP 82 N 0.54 0.87 0.04 7.04 3.58 -1.06 -2.29 116.42 125.14 3caw h ASP 82 Ca 0.18 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 3caw h ASP 82 Cb 0.02 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.87 3caw h ASP 82 CO -0.09 0.60 -0.02 0.00 -2.88 0.00 0.00 179.24 176.85 3caw h ALA 83 N 1.33 -0.06 -0.83 -0.78 0.00 0.04 -1.22 119.26 117.74 3caw h ALA 83 Ca 0.32 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3caw h ALA 83 Cb -0.02 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3caw h ALA 83 CO -0.10 -0.52 0.51 -0.07 0.00 0.00 0.00 179.25 179.07 3caw h LEU 84 N -0.09 0.98 -0.41 0.00 3.38 -1.08 -2.00 115.31 116.09 3caw h LEU 84 Ca -0.01 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3caw h LEU 84 Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3caw h LEU 84 CO 0.01 0.75 0.12 -0.07 0.09 0.00 0.00 178.44 179.33 3caw h LEU 85 N 1.13 0.60 -1.42 1.67 3.38 -1.23 -1.96 115.31 117.49 3caw h LEU 85 Ca 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3caw h LEU 85 Cb -0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3caw h LEU 85 CO -0.06 0.66 0.29 0.03 0.09 0.00 0.00 178.44 179.45 3caw h ARG 86 N 0.52 0.68 0.10 1.13 3.08 -1.02 0.13 114.38 119.00 3caw h ARG 86 Ca 0.13 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3caw h ARG 86 Cb 0.28 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3caw h ARG 86 CO -0.00 0.49 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.12 3caw h LYS 87 N 0.69 -0.13 -0.15 0.04 1.63 -0.85 -2.38 116.57 115.42 3caw h LYS 87 Ca 0.18 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 3caw h LYS 87 Cb -0.00 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3caw h LYS 87 CO -0.03 -0.02 0.00 -0.85 -3.45 0.00 0.00 179.45 175.10 3caw n GLU 88 N -5.11 1.38 -3.72 1.90 0.28 -0.78 -4.92 120.64 109.67 3caw n GLU 88 Ca -0.08 -0.58 -0.23 0.00 -0.16 0.00 0.00 57.16 56.11 3caw n GLU 88 Cb 0.11 -1.18 0.04 0.00 1.43 0.00 0.00 31.44 31.84 3caw n GLU 88 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3caw n LYS 89 N -0.07 -5.38 -4.45 3.44 5.02 0.28 -5.01 118.16 111.99 3caw n LYS 89 Ca 0.08 0.65 -0.23 0.00 -2.02 0.00 0.00 58.31 56.79 3caw n LYS 89 Cb 0.15 -5.35 -0.10 0.00 -0.02 0.00 0.00 35.03 29.71 3caw n LYS 89 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3caw s LYS 90 N -6.08 1.61 0.10 1.97 -0.14 -0.19 -4.97 119.74 112.04 3caw s LYS 90 Ca 0.18 -1.79 0.02 0.00 -1.36 0.00 0.00 55.97 53.03 3caw s LYS 90 Cb -0.09 -1.42 -0.04 0.00 -1.68 0.00 0.00 37.83 34.61 3caw s LYS 90 CO 0.80 0.15 0.17 -1.58 -0.76 0.00 0.00 175.35 174.13 3caw s HIS 91 N -2.80 3.34 0.64 3.18 5.65 -1.26 -0.20 115.29 123.84 3caw s HIS 91 Ca 0.29 0.12 0.39 0.00 0.25 0.00 0.00 55.06 56.11 3caw s HIS 91 Cb 0.01 -1.65 2.19 0.00 -1.18 0.00 0.00 32.58 31.94 3caw s HIS 91 CO 0.13 0.54 2.31 -0.24 -0.65 0.00 0.00 174.74 176.83 3caw h VAL 92 N 2.14 0.18 0.00 0.89 3.04 -1.04 -1.29 116.25 120.17 3caw h VAL 92 Ca -0.47 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.11 3caw h VAL 92 Cb 1.18 0.98 -0.02 0.00 -2.01 0.00 0.00 31.29 31.41 3caw h VAL 92 CO 0.69 0.00 -0.52 -0.26 -1.01 0.00 0.00 177.57 176.47 3caw h PHE 93 N 0.00 0.00 -3.03 3.17 -1.00 -1.91 -3.44 116.94 110.74 3caw h PHE 93 Ca 0.00 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.24 3caw h PHE 93 Cb 0.06 0.00 0.08 0.00 3.61 0.00 0.00 35.95 39.70 3caw h PHE 93 CO 0.00 0.52 0.85 -0.25 -1.61 0.00 0.00 178.31 177.83 3caw n ASP 94 N -3.41 3.66 0.00 2.17 8.00 -0.49 -1.55 116.55 124.93 3caw n ASP 94 Ca 0.01 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.63 3caw n ASP 94 Cb 0.66 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 3caw n ASP 94 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3caw n GLY 95 N 2.51 3.03 3.93 0.44 0.00 -1.26 -4.96 105.19 108.87 3caw n GLY 95 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3caw n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3caw s GLY 96 N -1.56 1.67 -0.13 -0.02 0.00 -0.59 -4.91 107.32 101.77 3caw s GLY 96 Ca 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 44.72 43.81 3caw s GLY 96 CO 0.00 -0.49 0.02 -0.54 0.00 0.00 0.00 173.10 172.10 3caw s GLU 97 N -5.18 3.49 0.53 2.90 2.02 -0.67 -4.96 118.70 116.82 3caw s GLU 97 Ca 0.58 -0.39 -0.22 0.00 0.02 0.00 0.00 54.97 54.97 3caw s GLU 97 Cb -0.11 -2.99 -0.06 0.00 0.10 0.00 0.00 34.13 31.08 3caw s GLU 97 CO 0.45 0.48 1.38 0.36 0.02 0.00 0.00 175.26 177.94 3caw n LYS 98 N 2.86 1.81 -3.96 1.61 2.85 -1.26 -4.43 118.16 117.63 3caw n LYS 98 Ca -0.18 0.66 -0.12 0.00 -1.05 0.00 0.00 58.31 57.62 3caw n LYS 98 Cb 0.53 -2.59 -0.13 0.00 -0.65 0.00 0.00 35.03 32.19 3caw n LYS 98 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 3caw s ILE 99 N -1.27 0.14 0.29 0.58 2.07 -1.26 -5.05 121.20 116.71 3caw s ILE 99 Ca 0.70 -0.31 -0.17 0.00 -1.41 0.00 0.00 60.65 59.46 3caw s ILE 99 Cb -0.42 -0.17 -0.09 0.00 0.13 0.00 0.00 42.46 41.91 3caw s ILE 99 CO 0.51 -0.11 0.74 -0.54 -1.91 0.00 0.00 174.94 173.63 3caw s LYS 100 N -0.44 4.10 0.16 3.50 1.02 -1.26 -4.66 119.74 122.15 3caw s LYS 100 Ca -0.04 0.75 0.07 0.00 0.02 0.00 0.00 55.97 56.77 3caw s LYS 100 Cb -0.03 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 3caw s LYS 100 CO -0.00 0.24 0.03 -0.80 -0.92 0.00 0.00 175.35 173.89 3caw s ASN 101 N -2.05 4.95 0.70 2.83 0.01 0.18 -1.56 114.94 119.99 3caw s ASN 101 Ca 0.50 -0.32 -0.10 0.00 -0.71 0.00 0.00 52.86 52.23 3caw s ASN 101 Cb -0.12 -1.12 0.02 0.00 0.41 0.00 0.00 41.25 40.44 3caw s ASN 101 CO 0.19 0.09 1.07 0.54 -1.51 0.00 0.00 177.10 177.48 3caw s ASN 102 N -2.90 5.33 -0.23 -1.22 2.20 -0.21 -4.70 114.94 113.21 3caw s ASN 102 Ca 0.28 0.99 -0.11 0.00 -0.94 0.00 0.00 52.86 53.08 3caw s ASN 102 Cb -0.10 -1.78 -0.05 0.00 -2.00 0.00 0.00 41.25 37.33 3caw s ASN 102 CO 0.19 -1.38 0.18 -0.47 -2.94 0.00 0.00 177.10 172.69 3caw s TYR 103 N -3.32 3.34 -0.27 1.54 5.04 0.01 -4.80 117.35 118.89 3caw s TYR 103 Ca 0.58 0.29 -0.23 0.00 -2.44 0.00 0.00 57.07 55.27 3caw s TYR 103 Cb -0.11 -2.28 -0.00 0.00 0.35 0.00 0.00 41.96 39.92 3caw s TYR 103 CO 0.50 0.10 0.78 -1.17 -1.34 0.00 0.00 175.55 174.42 3caw s LEU 104 N 0.94 4.08 -0.28 6.97 2.96 -1.26 -0.76 118.68 131.34 3caw s LEU 104 Ca 0.09 0.81 -0.10 0.00 -0.22 0.00 0.00 54.13 54.71 3caw s LEU 104 Cb -0.13 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 3caw s LEU 104 CO 0.04 -0.54 0.15 -0.22 -1.32 0.00 0.00 176.35 174.46 3caw s LEU 105 N 2.84 3.87 -0.21 -0.68 2.96 -0.50 -4.94 118.68 122.02 3caw s LEU 105 Ca 0.32 -0.14 -0.13 0.00 -0.22 0.00 0.00 54.13 53.95 3caw s LEU 105 Cb -0.15 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 3caw s LEU 105 CO 0.10 -0.07 0.29 -0.55 -1.32 0.00 0.00 176.35 174.80 3caw s SER 106 N 1.70 6.31 0.00 3.68 0.15 -1.26 -4.35 113.70 119.92 3caw s SER 106 Ca 0.07 0.36 0.03 0.00 0.70 0.00 0.00 55.95 57.11 3caw s SER 106 Cb -0.16 -2.17 0.20 0.00 -1.71 0.00 0.00 66.02 62.18 3caw s SER 106 CO 0.08 0.01 0.54 1.41 1.20 0.00 0.00 173.24 176.49 3caw n HIS 107 N 4.23 0.00 -0.96 3.44 8.25 -1.26 -2.10 115.22 126.81 3caw n HIS 107 Ca -0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.22 3caw n HIS 107 Cb 0.52 0.00 0.23 0.00 1.12 0.00 0.00 29.99 31.86 3caw n HIS 107 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3caw n PHE 108 N -0.71 2.54 -3.65 4.41 3.72 -1.26 -4.79 117.46 117.72 3caw n PHE 108 Ca 0.03 -1.40 -0.19 0.00 -0.05 0.00 0.00 57.45 55.84 3caw n PHE 108 Cb 0.01 -0.76 -0.17 0.00 -0.94 0.00 0.00 39.48 37.62 3caw n PHE 108 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3caw s GLN 109 N -2.91 -0.00 -0.32 -1.08 -0.21 -0.89 -5.10 119.66 109.14 3caw s GLN 109 Ca 0.52 0.40 -0.28 0.00 0.02 0.00 0.00 55.36 56.02 3caw s GLN 109 Cb 0.42 -0.59 -0.04 0.00 1.00 0.00 0.00 33.01 33.80 3caw s GLN 109 CO 0.12 -0.38 2.04 -0.51 -2.12 0.00 0.00 175.29 174.44 3caw s ASP 110 N 2.23 5.50 -0.71 5.90 1.01 -1.26 -4.85 116.67 124.49 3caw s ASP 110 Ca 0.04 1.44 -0.25 0.00 0.71 0.00 0.00 52.55 54.49 3caw s ASP 110 Cb -0.13 -2.52 -0.14 0.00 1.01 0.00 0.00 42.92 41.15 3caw s ASP 110 CO -0.05 -2.00 2.41 -0.11 0.21 0.00 0.00 175.17 175.63 3caw n LEU 111 N 11.70 1.65 -4.77 1.23 7.94 -1.26 -4.89 117.00 128.60 3caw n LEU 111 Ca 0.27 -0.97 -0.41 0.00 -1.11 0.00 0.00 56.01 53.79 3caw n LEU 111 Cb 0.47 -1.51 -0.01 0.00 0.53 0.00 0.00 43.42 42.91 3caw n LEU 111 CO 0.68 -2.05 1.16 -0.54 -1.11 0.00 0.00 177.39 175.52 3caw s LYS 112 N 8.55 4.15 0.38 1.96 -0.14 -1.26 -4.92 119.74 128.47 3caw s LYS 112 Ca 1.00 2.52 -0.28 0.00 -1.36 0.00 0.00 55.97 57.86 3caw s LYS 112 Cb -0.27 -3.01 -0.10 0.00 -1.68 0.00 0.00 37.83 32.77 3caw s LYS 112 CO 0.21 -0.52 1.45 -1.25 -0.76 0.00 0.00 175.35 174.47 3caw s PRO 113 N -1.37 4.08 0.00 -1.68 0.04 -1.26 -1.89 135.00 132.92 3caw s PRO 113 Ca 0.57 2.49 0.00 0.00 0.04 0.00 0.00 61.00 64.09 3caw s PRO 113 Cb -0.46 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3caw s PRO 113 CO 0.55 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.48 3caw n GLY 114 N 0.53 1.67 0.13 0.56 0.00 -1.26 -4.92 105.19 101.90 3caw n GLY 114 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 3caw n GLY 114 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3caw h PHE 115 N 0.00 0.38 -0.87 1.61 3.57 -1.75 -1.48 116.94 118.40 3caw h PHE 115 Ca 0.00 -0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.59 3caw h PHE 115 Cb 0.00 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.57 3caw h PHE 115 CO 0.00 0.47 0.57 -0.07 -2.23 0.00 0.00 178.31 177.05 3caw h LEU 116 N 0.17 0.64 -1.18 0.59 3.38 -1.91 1.01 115.31 118.02 3caw h LEU 116 Ca 0.07 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3caw h LEU 116 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3caw h LEU 116 CO 0.00 0.33 -0.41 0.44 0.09 0.00 0.00 178.44 178.90 3caw h ASP 117 N 0.69 0.00 -0.49 -0.43 3.32 -1.86 -0.87 116.42 116.77 3caw h ASP 117 Ca 0.43 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.38 3caw h ASP 117 Cb 0.69 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 3caw h ASP 117 CO -0.19 0.41 -0.10 1.23 -1.72 0.00 0.00 179.24 178.86 3caw h GLY 118 N 1.26 1.05 0.56 2.75 0.00 0.20 -2.20 103.07 106.71 3caw h GLY 118 Ca -0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 3caw h GLY 118 CO 0.05 0.76 -0.13 1.41 0.00 0.00 0.00 176.54 178.64 3caw h LEU 119 N 0.87 0.21 -0.97 3.11 3.38 -0.72 -3.21 115.31 117.98 3caw h LEU 119 Ca 0.14 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.55 3caw h LEU 119 Cb 0.65 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 3caw h LEU 119 CO 0.05 0.76 0.63 0.50 0.09 0.00 0.00 178.44 180.47 3caw h LYS 120 N -0.33 1.20 0.00 1.13 3.64 -1.16 -2.24 116.57 118.81 3caw h LYS 120 Ca -0.00 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 3caw h LYS 120 Cb 0.73 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3caw h LYS 120 CO 0.03 0.79 -0.31 -0.91 -2.27 0.00 0.00 179.45 176.78 3caw h ASN 121 N 1.24 0.00 0.49 4.20 2.35 -1.48 -2.56 115.58 119.82 3caw h ASN 121 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 3caw h ASN 121 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3caw h ASN 121 CO -0.12 0.31 -0.12 -0.62 -1.65 0.00 0.00 177.43 175.24 3caw n GLU 122 N -3.97 0.50 0.00 0.81 -0.58 -0.89 -4.92 120.64 111.58 3caw n GLU 122 Ca -0.02 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 3caw n GLU 122 Cb 0.37 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 3caw n GLU 122 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3caw n GLY 123 N 1.33 1.99 3.74 0.62 0.00 -0.96 -4.44 105.19 107.48 3caw n GLY 123 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3caw n GLY 123 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3caw n TYR 124 N 0.00 2.46 0.00 1.61 4.01 -0.92 -4.80 117.16 119.52 3caw n TYR 124 Ca 0.00 0.45 0.00 0.00 -0.16 0.00 0.00 57.90 58.19 3caw n TYR 124 Cb 0.00 -2.41 0.00 0.00 -0.31 0.00 0.00 39.34 36.62 3caw n TYR 124 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3caw n ASN 125 N -0.35 4.58 -4.17 7.72 3.02 -1.26 -4.31 115.26 120.48 3caw n ASN 125 Ca 0.07 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.42 3caw n ASN 125 Cb 0.42 0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 40.04 3caw n ASN 125 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3caw s THR 126 N -1.89 1.17 -0.09 3.41 -4.23 -1.26 -0.57 115.64 112.17 3caw s THR 126 Ca 0.00 -1.18 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 3caw s THR 126 Cb 0.00 -1.09 0.01 0.00 1.34 0.00 0.00 72.50 72.77 3caw s THR 126 CO 0.00 -0.10 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.13 3caw s VAL 127 N -1.07 1.43 -0.16 2.29 1.01 -0.61 -0.81 120.40 122.49 3caw s VAL 127 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 3caw s VAL 127 Cb -0.09 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 3caw s VAL 127 CO 0.02 0.42 0.20 -0.75 0.00 0.00 0.00 175.10 174.99 3caw s LYS 128 N 0.72 4.06 -0.06 2.72 2.20 0.06 -1.30 119.74 128.14 3caw s LYS 128 Ca -0.13 -0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.44 3caw s LYS 128 Cb -0.16 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 3caw s LYS 128 CO 0.03 0.39 -0.14 0.08 -0.36 0.00 0.00 175.35 175.35 3caw s VAL 129 N 0.06 1.22 0.00 4.02 1.01 0.38 -1.41 120.40 125.69 3caw s VAL 129 Ca 0.13 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 3caw s VAL 129 Cb -0.12 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3caw s VAL 129 CO 0.02 0.37 1.14 -0.54 0.00 0.00 0.00 175.10 176.09 3caw s LYS 130 N 0.54 4.44 0.13 2.72 1.02 -1.26 -1.57 119.74 125.76 3caw s LYS 130 Ca -0.13 1.64 0.09 0.00 0.02 0.00 0.00 55.97 57.58 3caw s LYS 130 Cb -0.15 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 3caw s LYS 130 CO 0.04 -0.27 -0.16 -1.64 -0.92 0.00 0.00 175.35 172.41 3caw s MET 131 N 1.44 1.87 0.00 1.68 -1.94 0.60 -4.86 119.30 118.09 3caw s MET 131 Ca 0.56 -1.19 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 3caw s MET 131 Cb -0.25 -2.14 0.00 0.00 2.01 0.00 0.00 34.83 34.45 3caw s MET 131 CO 0.26 0.47 0.00 0.41 -0.01 0.00 0.00 175.02 176.15 3caw n GLY 132 N 0.61 3.41 0.00 -0.03 0.00 -1.26 -4.32 105.19 103.60 3caw n GLY 132 Ca -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3caw n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3caw n ARG 133 N 0.00 0.00 -3.95 1.61 5.12 -1.26 -4.65 116.66 113.53 3caw n ARG 133 Ca 0.00 0.27 -0.31 0.00 -1.93 0.00 0.00 57.85 55.88 3caw n ARG 133 Cb 0.00 -1.22 -0.15 0.00 -1.16 0.00 0.00 32.46 29.92 3caw n ARG 133 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3caw s ASP 134 N -2.10 4.09 0.22 0.55 2.15 -1.26 -5.00 116.67 115.32 3caw s ASP 134 Ca 0.00 -1.40 -0.08 0.00 0.43 0.00 0.00 52.55 51.51 3caw s ASP 134 Cb 0.00 -1.27 0.18 0.00 -0.30 0.00 0.00 42.92 41.53 3caw s ASP 134 CO 0.00 -0.27 1.83 -0.07 -0.17 0.00 0.00 175.17 176.49 3caw h LEU 135 N 7.89 1.09 0.46 -1.34 4.07 -1.98 -0.26 115.31 125.23 3caw h LEU 135 Ca -0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.67 3caw h LEU 135 Cb 1.05 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 42.51 3caw h LEU 135 CO 0.44 0.90 -0.27 1.56 -1.08 0.00 0.00 178.44 179.99 3caw h GLN 136 N 1.19 -0.66 -0.06 1.13 7.50 -1.99 0.33 115.11 122.56 3caw h GLN 136 Ca 0.29 0.05 0.02 0.00 0.50 0.00 0.00 58.65 59.51 3caw h GLN 136 Cb 0.08 0.15 -0.02 0.00 0.05 0.00 0.00 27.48 27.74 3caw h GLN 136 CO -0.04 -0.44 -0.05 -0.22 -1.50 0.00 0.00 178.83 176.58 3caw h LYS 137 N -0.69 -0.06 -0.92 1.46 3.64 -1.97 -2.09 116.57 115.96 3caw h LYS 137 Ca -0.05 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3caw h LYS 137 Cb 0.56 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 3caw h LYS 137 CO 0.06 -0.04 0.59 0.93 -2.27 0.00 0.00 179.45 178.73 3caw h GLU 138 N -0.06 1.12 -0.98 1.90 5.08 -0.91 -1.68 114.58 119.05 3caw h GLU 138 Ca 0.04 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3caw h GLU 138 Cb 0.12 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 3caw h GLU 138 CO -0.10 0.74 0.65 0.00 -1.00 0.00 0.00 179.01 179.30 3caw h ALA 139 N 1.38 1.33 -0.30 3.43 0.00 0.09 -0.87 119.26 124.31 3caw h ALA 139 Ca 0.37 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 3caw h ALA 139 Cb 0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3caw h ALA 139 CO -0.12 0.60 -0.13 -0.44 0.00 0.00 0.00 179.25 179.16 3caw h ASP 140 N 1.29 0.50 -0.35 0.00 3.32 -0.65 -2.14 116.42 118.39 3caw h ASP 140 Ca 0.37 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 3caw h ASP 140 Cb -0.08 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3caw h ASP 140 CO -0.10 0.66 -0.10 -0.03 -1.72 0.00 0.00 179.24 177.95 3caw h MET 141 N 0.48 0.69 -0.67 3.56 4.05 -0.63 -2.65 114.93 119.76 3caw h MET 141 Ca 0.09 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.23 3caw h MET 141 Cb 0.51 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 3caw h MET 141 CO 0.03 0.86 0.39 -0.07 0.23 0.00 0.00 176.91 178.35 3caw h LEU 142 N 0.48 0.80 -0.88 3.39 3.38 -0.94 -1.12 115.31 120.41 3caw h LEU 142 Ca 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3caw h LEU 142 Cb 0.62 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3caw h LEU 142 CO 0.04 0.62 0.40 0.74 0.09 0.00 0.00 178.44 180.33 3caw h THR 143 N 0.92 1.26 -0.34 0.22 2.02 -1.19 0.12 112.91 115.92 3caw h THR 143 Ca 0.24 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 3caw h THR 143 Cb -0.02 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 3caw h THR 143 CO -0.04 0.31 0.01 0.45 0.37 0.00 0.00 175.52 176.62 3caw h HIS 144 N 1.19 0.64 -0.24 3.16 3.86 -0.97 -0.31 115.15 122.49 3caw h HIS 144 Ca 0.29 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3caw h HIS 144 Cb 0.12 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 3caw h HIS 144 CO 0.02 0.70 0.15 0.82 0.86 0.00 0.00 177.93 180.47 3caw h ILE 145 N 0.40 1.08 -0.62 2.45 2.04 -0.81 -2.31 117.51 119.73 3caw h ILE 145 Ca 0.10 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.79 3caw h ILE 145 Cb 0.44 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3caw h ILE 145 CO 0.02 0.08 0.41 0.00 0.00 0.00 0.00 178.15 178.65 3caw h ALA 146 N 1.06 1.55 0.00 1.87 0.00 -0.63 -1.50 119.26 121.61 3caw h ALA 146 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3caw h ALA 146 Cb -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3caw h ALA 146 CO -0.02 0.41 -0.09 0.00 0.00 0.00 0.00 179.25 179.56 3caw h ALA 147 N 1.61 1.78 -0.00 0.00 0.00 -0.50 -0.17 119.26 121.98 3caw h ALA 147 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3caw h ALA 147 Cb -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3caw h ALA 147 CO -0.05 0.11 -0.21 -1.13 0.00 0.00 0.00 179.25 177.97 3caw n SER 148 N -4.32 0.47 0.00 0.00 3.41 -0.58 -4.93 113.62 107.67 3caw n SER 148 Ca -0.03 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3caw n SER 148 Cb 0.16 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3caw n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3caw n GLY 149 N 1.38 0.71 3.85 5.00 0.00 -0.08 -5.03 105.19 111.03 3caw n GLY 149 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3caw n GLY 149 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3caw s MET 150 N -0.24 3.96 0.57 1.61 1.00 -1.16 -5.02 119.30 120.01 3caw s MET 150 Ca 0.00 0.78 -0.08 0.00 0.00 0.00 0.00 55.69 56.40 3caw s MET 150 Cb 0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 34.83 32.53 3caw s MET 150 CO 0.00 -0.07 0.91 1.03 0.00 0.00 0.00 175.02 176.89 3caw s ARG 151 N -3.62 3.40 0.04 2.03 0.52 0.26 -4.45 118.95 117.13 3caw s ARG 151 Ca 0.56 0.38 -0.03 0.00 -0.52 0.00 0.00 55.73 56.11 3caw s ARG 151 Cb -0.10 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.12 3caw s ARG 151 CO 0.25 -0.48 0.04 0.00 0.02 0.00 0.00 175.30 175.14 3caw s MET 152 N -4.98 0.56 -0.11 3.54 0.23 0.48 -1.57 119.30 117.44 3caw s MET 152 Ca 0.52 -0.86 0.01 0.00 -1.03 0.00 0.00 55.69 54.33 3caw s MET 152 Cb -0.11 0.21 0.02 0.00 -1.53 0.00 0.00 34.83 33.42 3caw s MET 152 CO 0.49 -0.13 -0.14 1.03 -2.03 0.00 0.00 175.02 174.24 3caw s ARG 153 N -2.81 2.17 -0.19 3.16 0.52 -0.42 -0.24 118.95 121.14 3caw s ARG 153 Ca -0.03 -0.54 -0.09 0.00 -0.52 0.00 0.00 55.73 54.55 3caw s ARG 153 Cb 0.00 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.53 3caw s ARG 153 CO -0.06 -0.10 0.12 -0.51 0.02 0.00 0.00 175.30 174.77 3caw s LEU 154 N 1.11 4.15 -0.25 2.53 1.02 -0.80 -0.47 118.68 125.98 3caw s LEU 154 Ca -0.04 0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.34 3caw s LEU 154 Cb -0.14 -2.07 0.06 0.00 0.02 0.00 0.00 46.19 44.06 3caw s LEU 154 CO -0.03 0.19 -0.09 -0.62 0.02 0.00 0.00 176.35 175.82 3caw s ASP 155 N 0.30 4.16 0.00 2.29 -1.08 -0.61 0.58 116.67 122.31 3caw s ASP 155 Ca 0.07 -1.29 0.25 0.00 -0.52 0.00 0.00 52.55 51.07 3caw s ASP 155 Cb -0.11 -1.38 0.47 0.00 -1.46 0.00 0.00 42.92 40.44 3caw s ASP 155 CO -0.01 -0.21 1.39 0.49 0.52 0.00 0.00 175.17 177.35 3caw n PHE 156 N 4.54 0.00 -2.54 -5.34 3.72 -0.93 -0.29 117.46 116.62 3caw n PHE 156 Ca -0.13 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.13 3caw n PHE 156 Cb 0.43 -0.18 -0.00 0.00 -0.94 0.00 0.00 39.48 38.78 3caw n PHE 156 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3caw n ASN 157 N -1.23 -3.92 -1.73 4.37 4.13 -1.20 -1.52 115.26 114.16 3caw n ASN 157 Ca 0.07 0.13 -0.17 0.00 1.68 0.00 0.00 54.58 56.29 3caw n ASN 157 Cb 0.34 -3.32 -0.03 0.00 -1.54 0.00 0.00 39.78 35.23 3caw n ASN 157 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3caw n ALA 158 N -2.37 -0.42 0.01 5.41 0.00 0.12 -4.91 120.51 118.35 3caw n ALA 158 Ca -0.13 0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 3caw n ALA 158 Cb 0.60 -1.86 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 3caw n ALA 158 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3caw n LEU 159 N -2.29 0.66 0.00 0.00 4.77 -0.58 -3.46 117.00 116.11 3caw n LEU 159 Ca -0.19 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3caw n LEU 159 Cb 0.62 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3caw n LEU 159 CO 0.25 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3caw n GLY 160 N 1.43 -2.04 3.06 -0.72 0.00 -1.18 -4.96 105.19 100.78 3caw n GLY 160 Ca -0.12 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 3caw n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3caw s SER 161 N -1.38 0.37 0.22 1.61 1.04 -1.26 -4.48 113.70 109.83 3caw s SER 161 Ca 0.00 -0.79 -0.09 0.00 0.48 0.00 0.00 55.95 55.55 3caw s SER 161 Cb 0.00 0.18 0.35 0.00 0.10 0.00 0.00 66.02 66.65 3caw s SER 161 CO 0.00 -0.51 1.67 -0.25 0.98 0.00 0.00 173.24 175.13 3caw h TRP 162 N 3.64 0.04 0.58 5.02 7.01 -1.97 -0.31 115.95 129.96 3caw h TRP 162 Ca -0.33 0.05 -0.03 0.00 2.11 0.00 0.00 58.89 60.68 3caw h TRP 162 Cb 1.17 0.08 0.01 0.00 -2.10 0.00 0.00 29.16 28.32 3caw h TRP 162 CO 0.57 -0.15 -0.28 1.96 -2.79 0.00 0.00 178.44 177.75 3caw h GLN 163 N 0.16 -0.75 -0.76 2.65 7.50 -2.00 -1.97 115.11 119.93 3caw h GLN 163 Ca 0.35 0.05 0.03 0.00 0.50 0.00 0.00 58.65 59.59 3caw h GLN 163 Cb 0.59 0.17 -0.04 0.00 0.05 0.00 0.00 27.48 28.25 3caw h GLN 163 CO -0.54 -0.46 0.50 1.79 -1.50 0.00 0.00 178.83 178.63 3caw h THR 164 N -0.89 1.13 -0.46 -0.54 1.35 -1.93 -2.30 112.91 109.27 3caw h THR 164 Ca -0.08 -0.33 -0.03 0.00 -0.55 0.00 0.00 66.41 65.42 3caw h THR 164 Cb 0.64 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.14 3caw h THR 164 CO 0.13 0.17 0.16 0.15 -0.25 0.00 0.00 175.52 175.88 3caw h PHE 165 N 0.95 0.73 0.15 4.73 3.57 -0.99 -1.62 116.94 124.47 3caw h PHE 165 Ca 0.30 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3caw h PHE 165 Cb 0.02 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.55 3caw h PHE 165 CO -0.00 0.65 -0.07 1.49 -2.23 0.00 0.00 178.31 178.14 3caw h GLU 166 N 0.61 -0.20 -0.76 1.11 4.81 -0.85 -1.32 114.58 117.98 3caw h GLU 166 Ca 0.15 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 3caw h GLU 166 Cb 0.25 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 3caw h GLU 166 CO -0.01 -0.04 0.46 -0.22 -0.73 0.00 0.00 179.01 178.47 3caw h LYS 167 N -0.32 0.83 0.15 1.92 3.64 -1.42 -1.52 116.57 119.86 3caw h LYS 167 Ca -0.02 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3caw h LYS 167 Cb 0.25 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3caw h LYS 167 CO 0.03 0.55 -0.08 0.35 -2.27 0.00 0.00 179.45 178.04 3caw h PHE 168 N 0.86 -0.21 0.07 1.91 3.57 -1.12 -2.92 116.94 119.09 3caw h PHE 168 Ca 0.32 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 3caw h PHE 168 Cb 0.13 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3caw h PHE 168 CO -0.05 -0.13 -0.03 0.52 -2.23 0.00 0.00 178.31 176.39 3caw h MET 169 N -0.22 -0.09 -0.36 1.11 2.86 -0.93 -3.09 114.93 114.22 3caw h MET 169 Ca -0.02 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.72 3caw h MET 169 Cb 0.17 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3caw h MET 169 CO 0.03 0.09 0.26 0.28 1.06 0.00 0.00 176.91 178.63 3caw h VAL 170 N -0.25 0.84 -0.36 -2.22 2.07 -1.33 -2.12 116.25 112.88 3caw h VAL 170 Ca -0.01 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3caw h VAL 170 Cb 0.22 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3caw h VAL 170 CO 0.02 0.01 0.00 0.59 0.02 0.00 0.00 177.57 178.20 3caw n ASN 171 N -4.44 2.63 -4.79 0.57 3.02 -1.10 -4.94 115.26 106.21 3caw n ASN 171 Ca 0.06 -1.90 -0.35 0.00 -0.03 0.00 0.00 54.58 52.35 3caw n ASN 171 Cb 0.41 -0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 39.30 3caw n ASN 171 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3caw s LEU 172 N -1.34 3.99 0.48 3.41 1.43 -0.80 -4.98 118.68 120.87 3caw s LEU 172 Ca 0.35 1.97 -0.23 0.00 -1.03 0.00 0.00 54.13 55.20 3caw s LEU 172 Cb 0.19 -4.38 -0.09 0.00 0.03 0.00 0.00 46.19 41.95 3caw s LEU 172 CO 0.27 -0.63 1.02 -2.65 0.23 0.00 0.00 176.35 174.59 3caw n PRO 173 N -0.52 1.28 0.27 1.29 -0.02 -1.26 -4.79 135.00 131.24 3caw n PRO 173 Ca 0.07 0.47 0.18 0.00 -2.02 0.00 0.00 63.50 62.20 3caw n PRO 173 Cb 0.51 -2.12 0.93 0.00 -0.02 0.00 0.00 33.50 32.81 3caw n PRO 173 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3caw h LEU 174 N 1.28 0.00 -0.37 2.45 3.38 -1.97 0.03 115.31 120.11 3caw h LEU 174 Ca -0.46 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.41 3caw h LEU 174 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 3caw h LEU 174 CO 0.55 0.00 -0.47 0.71 0.09 0.00 0.00 178.44 179.32 3caw h THR 175 N 0.00 0.90 0.05 0.22 1.35 -1.98 -3.35 112.91 110.10 3caw h THR 175 Ca 0.04 -2.00 -0.00 0.00 -0.55 0.00 0.00 66.41 63.90 3caw h THR 175 Cb 0.31 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3caw h THR 175 CO -0.00 0.46 -0.02 0.58 -0.25 0.00 0.00 175.52 176.29 3caw h VAL 176 N 0.00 1.08 -0.84 6.82 2.07 -1.32 -3.38 116.25 120.68 3caw h VAL 176 Ca -0.00 -1.60 0.13 0.00 0.82 0.00 0.00 66.70 66.04 3caw h VAL 176 Cb 1.21 1.95 -0.13 0.00 -1.52 0.00 0.00 31.29 32.80 3caw h VAL 176 CO 0.06 0.33 -0.33 0.54 0.02 0.00 0.00 177.57 178.20 3caw n ARG 177 N -4.76 -0.20 0.26 1.57 5.12 -1.13 -0.53 116.66 116.98 3caw n ARG 177 Ca -0.07 1.29 0.11 0.00 -1.93 0.00 0.00 57.85 57.25 3caw n ARG 177 Cb 0.29 -1.91 0.69 0.00 -1.16 0.00 0.00 32.46 30.37 3caw n ARG 177 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3caw h PRO 178 N 0.00 0.00 -0.02 5.56 0.11 -1.75 -3.03 132.00 132.88 3caw h PRO 178 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3caw h PRO 178 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3caw h PRO 178 CO -0.83 0.13 -0.08 1.28 -0.21 0.00 0.00 178.00 178.29 3caw n LEU 179 N -3.75 1.72 -4.59 2.35 4.77 0.31 -4.80 117.00 113.01 3caw n LEU 179 Ca -0.02 -0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 54.97 3caw n LEU 179 Cb 0.24 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3caw n LEU 179 CO 0.31 0.29 0.91 -0.63 -1.33 0.00 0.00 177.39 176.95 3caw s ILE 180 N -2.13 4.34 0.13 -0.08 1.01 -1.11 -0.38 121.20 122.98 3caw s ILE 180 Ca 0.32 1.11 -0.13 0.00 0.00 0.00 0.00 60.65 61.96 3caw s ILE 180 Cb 0.20 -4.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 3caw s ILE 180 CO 0.38 -0.87 1.49 -0.08 0.00 0.00 0.00 174.94 175.85 3caw h GLU 181 N 9.03 0.84 -1.69 2.79 4.81 -0.92 -3.45 114.58 125.98 3caw h GLU 181 Ca -0.23 -0.39 0.23 0.00 -0.13 0.00 0.00 59.36 58.84 3caw h GLU 181 Cb 1.07 -0.01 -0.17 0.00 0.63 0.00 0.00 28.75 30.27 3caw h GLU 181 CO 1.08 1.02 0.73 1.52 -0.73 0.00 0.00 179.01 182.63 3caw s TYR 182 N -4.56 -0.17 -0.22 0.92 -0.85 -1.24 -4.53 117.35 106.71 3caw s TYR 182 Ca -0.12 0.08 -0.02 0.00 -0.52 0.00 0.00 57.07 56.49 3caw s TYR 182 Cb 0.10 0.53 0.01 0.00 0.38 0.00 0.00 41.96 42.98 3caw s TYR 182 CO 0.85 -0.32 -0.09 0.08 -1.52 0.00 0.00 175.55 174.55 3caw s VAL 183 N -2.61 2.86 0.11 -3.49 1.01 -0.31 -1.90 120.40 116.08 3caw s VAL 183 Ca 0.09 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 3caw s VAL 183 Cb -0.00 -2.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.98 3caw s VAL 183 CO -0.05 0.38 0.82 -1.61 0.00 0.00 0.00 175.10 174.64 3caw s GLU 184 N 1.38 4.59 -0.43 2.72 2.02 0.20 -0.33 118.70 128.83 3caw s GLU 184 Ca 0.04 1.20 -0.01 0.00 0.02 0.00 0.00 54.97 56.22 3caw s GLU 184 Cb -0.15 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.76 3caw s GLU 184 CO -0.06 0.39 0.32 -0.25 0.02 0.00 0.00 175.26 175.68 3caw n ASP 185 N 2.27 -2.58 0.14 -0.19 8.00 -0.42 -2.19 116.55 121.58 3caw n ASP 185 Ca -0.03 -0.51 0.11 0.00 0.71 0.00 0.00 54.79 55.07 3caw n ASP 185 Cb 0.49 -0.85 0.62 0.00 -0.02 0.00 0.00 41.12 41.36 3caw n ASP 185 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3caw h PRO 186 N 0.34 0.09 -2.04 -0.24 0.13 -1.85 0.33 132.00 128.77 3caw h PRO 186 Ca -0.35 -0.01 0.24 0.00 -0.87 0.00 0.00 66.00 65.02 3caw h PRO 186 Cb 0.76 -0.02 -0.09 0.00 0.13 0.00 0.00 31.00 31.78 3caw h PRO 186 CO 0.19 0.06 0.65 -0.59 -0.23 0.00 0.00 178.00 178.09 3caw s PHE 187 N -5.13 -0.05 0.32 1.56 -0.12 -1.26 -3.08 117.98 110.22 3caw s PHE 187 Ca -0.06 -0.18 -0.26 0.00 -0.05 0.00 0.00 56.93 56.38 3caw s PHE 187 Cb 0.18 0.61 -0.14 0.00 -0.63 0.00 0.00 43.02 43.04 3caw s PHE 187 CO 0.70 -0.61 0.84 -2.30 -0.05 0.00 0.00 175.22 173.80 3caw n PRO 188 N -0.55 0.99 -1.72 1.99 -0.02 -1.22 -4.73 135.00 129.74 3caw n PRO 188 Ca -0.06 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 3caw n PRO 188 Cb 0.61 -1.68 -0.02 0.00 -0.02 0.00 0.00 33.50 32.39 3caw n PRO 188 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3caw n PHE 189 N -0.14 2.67 -3.65 6.00 7.35 -1.26 -4.94 117.46 123.49 3caw n PHE 189 Ca 0.11 0.26 -0.05 0.00 -0.76 0.00 0.00 57.45 57.01 3caw n PHE 189 Cb 0.34 -2.58 -0.07 0.00 0.35 0.00 0.00 39.48 37.52 3caw n PHE 189 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3caw s ASP 190 N 0.58 -0.82 0.16 -2.13 2.15 -1.26 -5.06 116.67 110.29 3caw s ASP 190 Ca 0.67 1.35 -0.21 0.00 0.43 0.00 0.00 52.55 54.79 3caw s ASP 190 Cb -0.54 1.78 0.07 0.00 -0.30 0.00 0.00 42.92 43.93 3caw s ASP 190 CO 0.46 -0.22 1.62 0.15 -0.17 0.00 0.00 175.17 177.00 3caw h PHE 191 N 7.83 -0.68 -0.09 -5.34 3.57 -1.97 -0.50 116.94 119.76 3caw h PHE 191 Ca -0.21 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 3caw h PHE 191 Cb 1.13 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 40.22 3caw h PHE 191 CO 0.19 -0.33 -0.01 1.25 -2.23 0.00 0.00 178.31 177.18 3caw h HIS 192 N -0.21 0.18 -0.71 0.41 2.76 -1.98 -1.12 115.15 114.48 3caw h HIS 192 Ca 0.17 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.34 3caw h HIS 192 Cb 0.48 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.35 3caw h HIS 192 CO -0.46 0.44 0.44 0.00 -1.30 0.00 0.00 177.93 177.05 3caw h ALA 193 N 0.71 0.92 -0.34 5.26 0.00 -1.93 -0.28 119.26 123.60 3caw h ALA 193 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3caw h ALA 193 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3caw h ALA 193 CO 0.01 0.22 -0.26 -1.49 0.00 0.00 0.00 179.25 177.73 3caw h TRP 194 N 0.87 0.92 -0.84 0.00 4.06 -1.10 -1.28 115.95 118.57 3caw h TRP 194 Ca 0.28 -0.25 0.06 0.00 2.06 0.00 0.00 58.89 61.03 3caw h TRP 194 Cb 0.01 -0.20 -0.06 0.00 -1.00 0.00 0.00 29.16 27.91 3caw h TRP 194 CO -0.04 1.01 0.52 0.78 -3.56 0.00 0.00 178.44 177.15 3caw h GLY 195 N 0.56 1.26 1.95 1.49 0.00 -0.73 -1.96 103.07 105.63 3caw h GLY 195 Ca 0.07 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 46.86 3caw h GLY 195 CO 0.07 0.27 -0.74 0.83 0.00 0.00 0.00 176.54 176.97 3caw h GLU 196 N 0.96 0.05 0.00 4.80 4.39 -0.95 -3.04 114.58 120.78 3caw h GLU 196 Ca 0.36 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.00 3caw h GLU 196 Cb 0.15 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3caw h GLU 196 CO -0.16 0.76 -0.12 0.00 -1.16 0.00 0.00 179.01 178.33 3caw h ALA 197 N 1.23 1.62 -0.05 3.43 0.00 -0.48 -2.29 119.26 122.71 3caw h ALA 197 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3caw h ALA 197 Cb 1.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3caw h ALA 197 CO 0.10 0.15 0.07 0.00 0.00 0.00 0.00 179.25 179.57 3caw h ARG 198 N 0.00 0.00 0.00 0.00 3.08 -1.34 -0.79 114.38 115.33 3caw h ARG 198 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3caw h ARG 198 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3caw h ARG 198 CO 0.02 0.00 -0.02 0.87 -1.07 0.00 0.00 179.97 179.77 3caw h LYS 199 N 0.00 0.00 0.00 0.04 1.57 -1.59 -3.11 116.57 113.48 3caw h LYS 199 Ca 0.03 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.55 3caw h LYS 199 Cb 0.17 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 3caw h LYS 199 CO -0.00 0.02 -2.12 1.28 -0.57 0.00 0.00 179.45 178.06 3caw n LEU 200 N -3.14 0.18 -3.58 2.94 4.77 -0.31 -5.04 117.00 112.82 3caw n LEU 200 Ca -0.01 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.00 3caw n LEU 200 Cb 0.24 0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 3caw n LEU 200 CO 0.26 0.33 0.96 0.00 -1.33 0.00 0.00 177.39 177.60 3caw s ALA 201 N -2.79 -2.03 0.37 -1.18 0.00 -1.17 -5.03 121.76 109.92 3caw s ALA 201 Ca -0.08 1.54 -0.28 0.00 0.00 0.00 0.00 51.96 53.13 3caw s ALA 201 Cb 0.08 -0.17 -0.11 0.00 0.00 0.00 0.00 23.12 22.93 3caw s ALA 201 CO 0.84 -0.57 1.46 0.15 0.00 0.00 0.00 175.76 177.65 3caw s LYS 202 N -2.35 4.15 -0.08 0.00 -0.14 -1.26 -4.18 119.74 115.88 3caw s LYS 202 Ca 0.08 2.51 0.02 0.00 -1.36 0.00 0.00 55.97 57.22 3caw s LYS 202 Cb -0.01 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 33.13 3caw s LYS 202 CO -0.05 -0.48 -0.12 0.42 -0.76 0.00 0.00 175.35 174.36 3caw s ILE 203 N -1.11 3.19 -0.06 2.17 -1.09 -1.26 -1.16 121.20 121.89 3caw s ILE 203 Ca 0.52 -0.65 0.03 0.00 -2.23 0.00 0.00 60.65 58.32 3caw s ILE 203 Cb -0.45 -2.29 -0.03 0.00 -1.58 0.00 0.00 42.46 38.11 3caw s ILE 203 CO 0.61 0.57 -0.13 0.00 -1.23 0.00 0.00 174.94 174.77 3caw s ALA 204 N -0.42 2.73 -0.38 9.38 0.00 0.54 -0.34 121.76 133.28 3caw s ALA 204 Ca 0.05 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 3caw s ALA 204 Cb -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.97 3caw s ALA 204 CO 0.02 0.55 0.26 -1.17 0.00 0.00 0.00 175.76 175.43 3caw s LEU 205 N -0.72 4.80 0.00 0.00 0.20 0.28 -1.29 118.68 121.95 3caw s LEU 205 Ca 0.11 -0.70 0.00 0.00 0.69 0.00 0.00 54.13 54.23 3caw s LEU 205 Cb -0.11 -2.14 0.00 0.00 -0.43 0.00 0.00 46.19 43.52 3caw s LEU 205 CO 0.01 -0.35 0.00 -0.67 -0.29 0.00 0.00 176.35 175.05 3caw n ASP 206 N 5.12 0.00 0.00 3.68 2.03 -1.26 -1.26 116.55 124.85 3caw n ASP 206 Ca -0.12 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.32 3caw n ASP 206 Cb 0.48 0.00 0.69 0.00 -0.72 0.00 0.00 41.12 41.57 3caw n ASP 206 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3caw n ASN 207 N -0.35 0.00 -0.99 1.67 0.23 -1.26 -2.39 115.26 112.17 3caw n ASN 207 Ca 0.00 -0.46 0.11 0.00 -0.53 0.00 0.00 54.58 53.70 3caw n ASN 207 Cb 0.00 -0.13 0.15 0.00 -2.08 0.00 0.00 39.78 37.72 3caw n ASN 207 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3caw n GLN 208 N -1.13 2.25 -0.25 -3.83 1.13 -1.26 -4.59 117.38 109.69 3caw n GLN 208 Ca 0.16 -2.03 0.05 0.00 -1.94 0.00 0.00 57.00 53.23 3caw n GLN 208 Cb 0.14 -1.45 0.16 0.00 0.11 0.00 0.00 30.24 29.19 3caw n GLN 208 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 3caw h TYR 209 N 4.21 -0.01 0.00 1.08 3.20 -1.78 0.94 116.97 124.61 3caw h TYR 209 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3caw h TYR 209 Cb 0.93 0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.32 3caw h TYR 209 CO 0.13 -0.22 0.00 -0.25 -1.64 0.00 0.00 178.16 176.18 3caw n ASP 210 N -5.32 0.00 0.04 -2.11 8.00 -1.26 -2.51 116.55 113.38 3caw n ASP 210 Ca 0.13 0.34 0.12 0.00 0.71 0.00 0.00 54.79 56.10 3caw n ASP 210 Cb 0.46 -0.42 0.24 0.00 -0.02 0.00 0.00 41.12 41.38 3caw n ASP 210 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3caw n LYS 211 N -1.42 0.19 -2.83 -1.24 4.76 0.32 -4.86 118.16 113.08 3caw n LYS 211 Ca 0.05 0.06 -0.42 0.00 -2.87 0.00 0.00 58.31 55.13 3caw n LYS 211 Cb 0.15 -1.62 -0.04 0.00 -1.84 0.00 0.00 35.03 31.68 3caw n LYS 211 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3caw s VAL 212 N -3.10 4.86 -1.27 -0.18 1.01 -1.05 -4.97 120.40 115.70 3caw s VAL 212 Ca 0.08 1.77 -0.15 0.00 0.00 0.00 0.00 61.98 63.68 3caw s VAL 212 Cb 0.15 -4.19 0.12 0.00 0.00 0.00 0.00 36.38 32.46 3caw s VAL 212 CO 0.69 0.04 1.65 -0.81 0.00 0.00 0.00 175.10 176.67 3caw n PRO 213 N 5.02 3.29 -0.34 2.72 -0.04 -1.26 -4.87 135.00 139.53 3caw n PRO 213 Ca 0.06 -3.51 0.28 0.00 -0.04 0.00 0.00 63.50 60.28 3caw n PRO 213 Cb 0.49 -3.22 0.59 0.00 -0.04 0.00 0.00 33.50 31.31 3caw n PRO 213 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3caw h TRP 214 N 7.08 0.48 -0.12 0.54 4.06 -1.95 -0.14 115.95 125.89 3caw h TRP 214 Ca 0.39 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.36 3caw h TRP 214 Cb 0.83 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.85 3caw h TRP 214 CO 1.27 0.01 0.00 0.41 -3.56 0.00 0.00 178.44 176.57 3caw n GLY 215 N -1.55 -0.02 0.00 1.49 0.00 -1.26 -4.19 105.19 99.66 3caw n GLY 215 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3caw n GLY 215 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3caw n LYS 216 N 0.06 2.11 -1.81 1.61 4.81 -0.11 -5.06 118.16 119.77 3caw n LYS 216 Ca 0.16 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.20 3caw n LYS 216 Cb 0.27 -0.94 0.01 0.00 0.02 0.00 0.00 35.03 34.40 3caw n LYS 216 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3caw s ILE 217 N -1.81 2.10 -0.58 3.15 -4.36 -0.92 -4.90 121.20 113.87 3caw s ILE 217 Ca 0.00 0.09 0.24 0.00 -0.26 0.00 0.00 60.65 60.72 3caw s ILE 217 Cb 0.00 -3.05 0.01 0.00 1.25 0.00 0.00 42.46 40.67 3caw s ILE 217 CO 0.00 0.01 1.23 0.00 0.24 0.00 0.00 174.94 176.42 3caw h ALA 218 N 2.39 0.51 -2.45 2.27 0.00 -1.95 -3.48 119.26 116.54 3caw h ALA 218 Ca -0.51 0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.56 3caw h ALA 218 Cb 1.26 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 3caw h ALA 218 CO 0.61 0.00 0.44 -1.54 0.00 0.00 0.00 179.25 178.76 3caw s SER 219 N -4.30 -0.21 -0.35 0.00 1.04 -1.26 -5.14 113.70 103.48 3caw s SER 219 Ca 0.05 -0.40 -0.16 0.00 0.48 0.00 0.00 55.95 55.92 3caw s SER 219 Cb 0.13 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 3caw s SER 219 CO 0.75 -0.96 0.38 0.00 0.98 0.00 0.00 173.24 174.39 3caw s ALA 220 N -3.38 3.49 -0.05 5.32 0.00 -1.26 -4.96 121.76 120.91 3caw s ALA 220 Ca 0.11 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 3caw s ALA 220 Cb -0.02 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.23 3caw s ALA 220 CO 0.02 -1.15 2.18 -0.35 0.00 0.00 0.00 175.76 176.46 3caw n PRO 221 N 5.43 1.23 -3.80 0.00 -0.04 -1.26 -4.79 135.00 131.78 3caw n PRO 221 Ca -0.09 -0.34 -0.06 0.00 -0.04 0.00 0.00 63.50 62.97 3caw n PRO 221 Cb 0.49 -1.20 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 3caw n PRO 221 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3caw s PHE 222 N -0.16 -0.19 -0.03 0.54 -0.12 -1.26 -4.03 117.98 112.73 3caw s PHE 222 Ca 0.12 -0.20 0.07 0.00 -0.05 0.00 0.00 56.93 56.86 3caw s PHE 222 Cb 0.07 0.68 -0.10 0.00 -0.63 0.00 0.00 43.02 43.04 3caw s PHE 222 CO -0.00 -1.08 0.11 -0.25 -0.05 0.00 0.00 175.22 173.94 3caw n ASP 223 N -0.45 3.37 -4.00 1.98 8.00 0.53 -4.94 116.55 121.03 3caw n ASP 223 Ca -0.05 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.28 3caw n ASP 223 Cb 0.60 1.09 -0.14 0.00 -0.02 0.00 0.00 41.12 42.65 3caw n ASP 223 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3caw s VAL 224 N -2.38 0.57 -0.20 2.53 1.01 -0.71 -2.05 120.40 119.18 3caw s VAL 224 Ca -0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3caw s VAL 224 Cb 0.04 -0.51 -0.00 0.00 0.00 0.00 0.00 36.38 35.91 3caw s VAL 224 CO 0.29 0.07 -0.09 -0.63 0.00 0.00 0.00 175.10 174.74 3caw s ILE 225 N -0.37 3.09 -0.17 2.22 1.01 -0.53 -0.55 121.20 125.90 3caw s ILE 225 Ca 0.01 -0.60 -0.23 0.00 0.00 0.00 0.00 60.65 59.83 3caw s ILE 225 Cb -0.04 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 3caw s ILE 225 CO -0.00 0.46 0.73 -0.69 0.00 0.00 0.00 174.94 175.44 3caw s VAL 226 N 1.24 4.96 -0.20 2.92 1.01 -0.39 -2.21 120.40 127.72 3caw s VAL 226 Ca 0.03 1.42 -0.05 0.00 0.00 0.00 0.00 61.98 63.37 3caw s VAL 226 Cb -0.14 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 3caw s VAL 226 CO -0.03 0.08 0.01 -0.63 0.00 0.00 0.00 175.10 174.53 3caw s ILE 227 N 1.92 3.99 -0.40 2.22 1.01 0.68 -4.77 121.20 125.84 3caw s ILE 227 Ca 0.34 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 3caw s ILE 227 Cb -0.16 -2.81 0.11 0.00 0.01 0.00 0.00 42.46 39.61 3caw s ILE 227 CO 0.12 0.42 0.19 -0.54 0.00 0.00 0.00 174.94 175.13 3caw s LYS 228 N 1.04 2.00 0.62 2.79 1.02 -1.26 -1.24 119.74 124.71 3caw s LYS 228 Ca 0.02 -1.79 0.26 0.00 0.02 0.00 0.00 55.97 54.48 3caw s LYS 228 Cb -0.14 -3.54 1.20 0.00 -0.52 0.00 0.00 37.83 34.83 3caw s LYS 228 CO 0.02 -1.04 1.65 -1.35 -0.92 0.00 0.00 175.35 173.70 3caw h PRO 229 N 8.03 0.00 0.00 -1.68 0.11 -1.82 0.34 132.00 136.98 3caw h PRO 229 Ca -0.13 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 3caw h PRO 229 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3caw h PRO 229 CO 0.68 0.00 -0.17 0.00 -0.21 0.00 0.00 178.00 178.30 3caw h ALA 230 N 1.03 0.98 0.00 -0.75 0.00 -1.93 -3.38 119.26 115.20 3caw h ALA 230 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3caw h ALA 230 Cb 1.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3caw h ALA 230 CO -0.00 0.21 -0.57 1.63 0.00 0.00 0.00 179.25 180.52 3caw n LYS 231 N -3.26 2.36 -3.51 0.00 4.76 0.61 -4.57 118.16 114.54 3caw n LYS 231 Ca 0.01 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.07 3caw n LYS 231 Cb 0.45 -0.79 -0.06 0.00 -1.84 0.00 0.00 35.03 32.79 3caw n LYS 231 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3caw s THR 232 N -1.46 5.08 -0.44 -0.18 2.01 0.88 -4.61 115.64 116.92 3caw s THR 232 Ca 0.00 0.80 -0.28 0.00 0.31 0.00 0.00 61.69 62.52 3caw s THR 232 Cb 0.00 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 3caw s THR 232 CO 0.00 0.55 1.65 -0.62 -0.69 0.00 0.00 174.62 175.51 3caw s ASP 233 N -0.88 5.93 0.10 3.53 -1.08 -1.26 -4.62 116.67 118.38 3caw s ASP 233 Ca 0.23 0.83 -0.22 0.00 -0.52 0.00 0.00 52.55 52.87 3caw s ASP 233 Cb -0.16 -2.53 -0.13 0.00 -1.46 0.00 0.00 42.92 38.64 3caw s ASP 233 CO 0.12 -1.76 1.74 0.58 0.52 0.00 0.00 175.17 176.37 3caw h VAL 234 N 6.67 0.99 -0.56 1.11 2.07 -1.94 -2.27 116.25 122.32 3caw h VAL 234 Ca -0.29 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3caw h VAL 234 Cb 1.14 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3caw h VAL 234 CO 1.10 0.01 0.31 0.44 0.02 0.00 0.00 177.57 179.45 3caw h ASP 235 N 0.04 0.48 -0.33 0.57 3.32 -1.99 -0.96 116.42 117.54 3caw h ASP 235 Ca 0.02 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3caw h ASP 235 Cb 0.01 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3caw h ASP 235 CO -0.02 0.33 -0.03 0.11 -1.72 0.00 0.00 179.24 177.90 3caw h LYS 236 N 0.60 0.71 -0.38 3.56 1.57 -1.95 -0.71 116.57 119.96 3caw h LYS 236 Ca 0.24 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.67 3caw h LYS 236 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3caw h LYS 236 CO -0.14 0.75 -0.37 0.00 -0.57 0.00 0.00 179.45 179.12 3caw h ALA 237 N 1.30 0.56 -0.66 3.86 0.00 -0.93 -1.57 119.26 121.83 3caw h ALA 237 Ca 0.13 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3caw h ALA 237 Cb 0.46 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3caw h ALA 237 CO 0.02 0.66 0.15 0.28 0.00 0.00 0.00 179.25 180.35 3caw h VAL 238 N 0.75 1.26 -0.12 0.00 2.07 -1.00 -0.88 116.25 118.33 3caw h VAL 238 Ca 0.06 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.62 3caw h VAL 238 Cb 0.96 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3caw h VAL 238 CO 0.09 0.37 0.05 0.00 0.02 0.00 0.00 177.57 178.10 3caw h ALA 239 N 1.06 0.14 -0.84 1.67 0.00 -0.95 -1.13 119.26 119.20 3caw h ALA 239 Ca 0.20 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3caw h ALA 239 Cb 0.38 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3caw h ALA 239 CO 0.01 -0.40 0.56 1.96 0.00 0.00 0.00 179.25 181.38 3caw h GLN 240 N 0.12 1.10 -0.79 0.00 4.20 -1.11 0.68 115.11 119.31 3caw h GLN 240 Ca 0.05 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3caw h GLN 240 Cb 0.02 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.51 3caw h GLN 240 CO -0.04 0.73 0.48 0.00 -0.67 0.00 0.00 178.83 179.33 3caw h GLN 242 N 1.08 0.56 -0.85 0.00 4.20 -0.74 0.27 115.11 119.63 3caw h GLN 242 Ca 0.28 -0.49 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 3caw h GLN 242 Cb -0.04 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 3caw h GLN 242 CO -0.05 1.12 0.50 -0.22 -0.67 0.00 0.00 178.83 179.51 3caw h LYS 243 N 0.37 1.17 -0.53 1.46 3.64 -0.60 -2.94 116.57 119.13 3caw h LYS 243 Ca -0.05 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3caw h LYS 243 Cb 1.42 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3caw h LYS 243 CO 0.15 0.83 0.00 0.91 -2.27 0.00 0.00 179.45 179.07 3caw n TRP 244 N -4.41 0.70 -3.61 1.91 7.02 -0.58 -4.99 117.44 113.48 3caw n TRP 244 Ca 0.09 -0.38 -0.22 0.00 -1.02 0.00 0.00 57.50 55.96 3caw n TRP 244 Cb 0.07 -0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.00 3caw n TRP 244 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 3caw n ASN 245 N 1.43 -3.05 -3.74 -0.99 5.15 0.15 -4.95 115.26 109.25 3caw n ASN 245 Ca 0.20 -0.84 -0.15 0.00 -0.60 0.00 0.00 54.58 53.20 3caw n ASN 245 Cb 0.58 -4.15 0.01 0.00 -0.53 0.00 0.00 39.78 35.69 3caw n ASN 245 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3caw n LEU 246 N -4.07 0.00 -4.60 1.20 4.77 0.71 -5.03 117.00 109.98 3caw n LEU 246 Ca -0.22 -1.71 -0.24 0.00 -0.03 0.00 0.00 56.01 53.82 3caw n LEU 246 Cb 0.65 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 3caw n LEU 246 CO 0.66 -0.49 -0.35 -0.54 -1.33 0.00 0.00 177.39 175.35 3caw s LYS 247 N -3.42 2.08 0.05 3.23 -0.14 -0.87 -4.79 119.74 115.87 3caw s LYS 247 Ca 0.22 -1.63 0.02 0.00 -1.36 0.00 0.00 55.97 53.23 3caw s LYS 247 Cb -0.02 -1.99 -0.03 0.00 -1.68 0.00 0.00 37.83 34.12 3caw s LYS 247 CO 0.14 0.26 -0.08 -0.48 -0.76 0.00 0.00 175.35 174.44 3caw s LEU 248 N -3.66 2.28 -0.05 3.17 0.05 -0.40 -1.46 118.68 118.61 3caw s LEU 248 Ca 0.33 -0.60 0.02 0.00 0.05 0.00 0.00 54.13 53.93 3caw s LEU 248 Cb -0.04 -0.16 0.01 0.00 -2.05 0.00 0.00 46.19 43.96 3caw s LEU 248 CO 0.19 -0.23 -0.11 0.00 -0.55 0.00 0.00 176.35 175.65 3caw s ALA 249 N -1.62 1.11 -0.19 1.48 0.00 -0.94 -1.00 121.76 120.61 3caw s ALA 249 Ca -0.08 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 3caw s ALA 249 Cb -0.08 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 3caw s ALA 249 CO -0.00 0.11 0.11 0.08 0.00 0.00 0.00 175.76 176.06 3caw s VAL 250 N 0.57 5.22 0.22 0.00 1.01 -1.26 -0.23 120.40 125.92 3caw s VAL 250 Ca -0.11 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.04 3caw s VAL 250 Cb -0.14 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 3caw s VAL 250 CO 0.02 0.45 -0.07 0.42 0.00 0.00 0.00 175.10 175.92 3caw s THR 251 N 0.31 1.41 0.00 3.92 -4.23 -0.37 -0.99 115.64 115.69 3caw s THR 251 Ca 0.07 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 3caw s THR 251 Cb -0.11 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.52 3caw s THR 251 CO -0.01 -0.47 0.00 -1.54 -0.54 0.00 0.00 174.62 172.06 3caw n SER 252 N -0.41 0.00 -2.55 3.99 3.41 -0.74 -4.10 113.62 113.22 3caw n SER 252 Ca -0.07 -0.71 -0.09 0.00 -0.26 0.00 0.00 58.87 57.73 3caw n SER 252 Cb 0.62 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.61 3caw n SER 252 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3caw n TYR 253 N -1.29 1.82 -4.19 7.33 9.36 -1.26 -4.91 117.16 124.02 3caw n TYR 253 Ca 0.00 -2.23 -0.31 0.00 3.32 0.00 0.00 57.90 58.68 3caw n TYR 253 Cb 0.00 -0.27 -0.06 0.00 -0.63 0.00 0.00 39.34 38.38 3caw n TYR 253 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3caw n MET 254 N -0.60 -2.19 -0.79 2.98 2.81 -1.26 -4.91 117.12 113.16 3caw n MET 254 Ca 0.20 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 3caw n MET 254 Cb 0.85 -4.31 0.00 0.00 -0.71 0.00 0.00 33.22 29.06 3caw n MET 254 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3caw n ASP 255 N -2.85 1.21 -4.77 7.83 5.75 -1.26 -5.11 116.55 117.34 3caw n ASP 255 Ca -0.21 -0.49 -0.34 0.00 -0.01 0.00 0.00 54.79 53.74 3caw n ASP 255 Cb 0.64 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.75 3caw n ASP 255 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3caw s HIS 256 N 0.61 2.67 0.37 2.11 5.65 -1.26 -4.77 115.29 120.67 3caw s HIS 256 Ca 0.00 1.55 0.16 0.00 0.25 0.00 0.00 55.06 57.02 3caw s HIS 256 Cb 0.00 -3.22 1.06 0.00 -1.18 0.00 0.00 32.58 29.24 3caw s HIS 256 CO 0.00 -1.60 1.74 -1.35 -0.65 0.00 0.00 174.74 172.89 3caw h PRO 257 N 0.63 0.41 -0.76 2.88 0.11 -1.96 0.48 132.00 133.80 3caw h PRO 257 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3caw h PRO 257 Cb 1.25 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3caw h PRO 257 CO 0.56 0.27 0.43 0.28 -0.21 0.00 0.00 178.00 179.33 3caw h VAL 258 N 0.42 1.22 -0.56 3.15 2.07 -1.96 -0.40 116.25 120.20 3caw h VAL 258 Ca 0.63 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 3caw h VAL 258 Cb 1.51 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3caw h VAL 258 CO -0.37 0.24 0.01 1.23 0.02 0.00 0.00 177.57 178.70 3caw h GLY 259 N 1.04 1.02 0.87 2.17 0.00 -0.45 -2.25 103.07 105.47 3caw h GLY 259 Ca 0.27 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3caw h GLY 259 CO -0.05 0.65 0.02 -2.08 0.00 0.00 0.00 176.54 175.09 3caw h VAL 260 N 0.87 1.11 -0.66 4.60 2.07 -0.56 -1.35 116.25 122.34 3caw h VAL 260 Ca 0.16 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 3caw h VAL 260 Cb 0.50 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3caw h VAL 260 CO 0.02 0.09 0.23 0.58 0.02 0.00 0.00 177.57 178.51 3caw h VAL 261 N -0.07 1.24 -0.55 2.57 2.07 -1.03 -1.15 116.25 119.32 3caw h VAL 261 Ca 0.01 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.74 3caw h VAL 261 Cb 0.13 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3caw h VAL 261 CO -0.00 0.31 0.36 0.45 0.02 0.00 0.00 177.57 178.71 3caw h HIS 262 N 0.97 0.68 -0.31 1.57 3.86 -1.26 -0.15 115.15 120.51 3caw h HIS 262 Ca 0.22 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3caw h HIS 262 Cb 0.24 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 3caw h HIS 262 CO 0.02 0.42 0.12 0.00 0.86 0.00 0.00 177.93 179.35 3caw h ALA 263 N 1.21 0.41 -0.78 2.45 0.00 -0.57 -1.35 119.26 120.63 3caw h ALA 263 Ca 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3caw h ALA 263 Cb -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3caw h ALA 263 CO -0.06 0.01 0.39 0.28 0.00 0.00 0.00 179.25 179.87 3caw h VAL 264 N 0.36 1.24 -0.74 0.00 2.07 -1.09 -0.70 116.25 117.40 3caw h VAL 264 Ca 0.10 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.00 3caw h VAL 264 Cb 0.18 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 3caw h VAL 264 CO -0.01 0.29 0.45 1.23 0.02 0.00 0.00 177.57 179.55 3caw h GLY 265 N 1.10 1.09 0.88 2.17 0.00 -0.66 0.38 103.07 108.02 3caw h GLY 265 Ca 0.27 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 3caw h GLY 265 CO -0.04 0.24 0.05 -2.08 0.00 0.00 0.00 176.54 174.71 3caw h VAL 266 N 0.85 1.23 -0.76 4.60 2.07 -0.73 -2.33 116.25 121.19 3caw h VAL 266 Ca 0.31 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 67.07 3caw h VAL 266 Cb 0.11 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3caw h VAL 266 CO -0.15 0.26 0.48 0.00 0.02 0.00 0.00 177.57 178.18 3caw h ALA 267 N 0.88 0.99 -0.22 1.67 0.00 -0.53 -0.99 119.26 121.06 3caw h ALA 267 Ca 0.09 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3caw h ALA 267 Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3caw h ALA 267 CO 0.01 0.28 -0.24 0.52 0.00 0.00 0.00 179.25 179.81 3caw h MET 268 N 0.93 0.41 -0.17 0.00 2.86 -0.86 -0.40 114.93 117.70 3caw h MET 268 Ca 0.30 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 3caw h MET 268 Cb 0.02 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 3caw h MET 268 CO -0.11 0.63 -0.15 1.49 1.06 0.00 0.00 176.91 179.83 3caw h GLU 269 N 0.37 0.40 -0.75 1.72 4.81 -0.82 -1.56 114.58 118.76 3caw h GLU 269 Ca 0.06 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3caw h GLU 269 Cb 0.63 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 3caw h GLU 269 CO 0.04 0.76 0.39 -0.07 -0.73 0.00 0.00 179.01 179.40 3caw h LEU 270 N 0.06 0.95 -0.65 1.64 3.38 -0.99 -1.04 115.31 118.66 3caw h LEU 270 Ca 0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3caw h LEU 270 Cb 0.67 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3caw h LEU 270 CO 0.04 0.79 0.30 0.50 0.09 0.00 0.00 178.44 180.16 3caw h LYS 271 N 1.04 0.95 -0.50 1.13 3.64 -1.02 0.46 116.57 122.27 3caw h LYS 271 Ca 0.26 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3caw h LYS 271 Cb 0.07 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3caw h LYS 271 CO -0.04 0.76 0.26 0.22 -2.27 0.00 0.00 179.45 178.39 3caw h ASP 272 N 0.90 0.64 0.01 4.20 3.58 -0.90 0.09 116.42 124.94 3caw h ASP 272 Ca 0.22 -0.10 -0.24 0.00 0.42 0.00 0.00 57.03 57.33 3caw h ASP 272 Cb 0.14 -0.16 0.02 0.00 1.72 0.00 0.00 39.33 41.05 3caw h ASP 272 CO -0.03 0.56 -0.94 0.11 -2.88 0.00 0.00 179.24 176.07 3caw h LYS 273 N 0.66 0.62 -0.06 0.28 1.57 -0.85 -3.38 116.57 115.41 3caw h LYS 273 Ca 0.17 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3caw h LYS 273 Cb 0.07 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3caw h LYS 273 CO -0.03 1.27 0.00 0.66 -0.57 0.00 0.00 179.45 180.79 3caw n TYR 274 N -3.95 0.07 0.00 -1.35 4.01 0.16 -5.07 117.16 111.03 3caw n TYR 274 Ca -0.11 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 3caw n TYR 274 Cb 0.83 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.86 3caw n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3caw n GLY 275 N 0.49 2.47 0.00 2.72 0.00 0.02 -1.79 105.19 109.09 3caw n GLY 275 Ca 0.06 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3caw n GLY 275 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3caw n ASP 276 N 4.18 0.00 0.20 1.61 8.00 -1.26 -1.06 116.55 128.21 3caw n ASP 276 Ca 0.00 0.36 0.13 0.00 0.71 0.00 0.00 54.79 55.99 3caw n ASP 276 Cb 0.00 -0.36 0.26 0.00 -0.02 0.00 0.00 41.12 40.99 3caw n ASP 276 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3caw h MET 277 N 0.00 0.00 -5.09 -1.24 4.05 -1.71 -3.43 114.93 107.50 3caw h MET 277 Ca 0.00 0.00 -0.62 0.00 -0.28 0.00 0.00 59.70 58.80 3caw h MET 277 Cb 0.02 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 30.68 3caw h MET 277 CO 0.00 0.00 -0.48 0.42 0.23 0.00 0.00 176.91 177.08 3caw s ILE 278 N -3.21 5.34 0.74 1.77 -1.09 -0.22 -1.28 121.20 123.26 3caw s ILE 278 Ca 0.07 0.22 -0.02 0.00 -2.23 0.00 0.00 60.65 58.69 3caw s ILE 278 Cb 0.07 -3.52 0.14 0.00 -1.58 0.00 0.00 42.46 37.57 3caw s ILE 278 CO 0.64 0.33 1.02 -0.76 -1.23 0.00 0.00 174.94 174.94 3caw s LEU 279 N 1.15 2.95 0.61 2.97 1.43 -0.17 -4.96 118.68 122.66 3caw s LEU 279 Ca 0.08 -0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.63 3caw s LEU 279 Cb -0.14 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 3caw s LEU 279 CO 0.05 -1.95 1.28 -1.61 0.23 0.00 0.00 176.35 174.36 3caw s GLU 280 N -5.20 2.80 0.38 1.70 2.02 -1.26 -4.71 118.70 114.43 3caw s GLU 280 Ca 0.67 2.03 -0.00 0.00 0.02 0.00 0.00 54.97 57.69 3caw s GLU 280 Cb -0.05 -1.96 0.08 0.00 0.10 0.00 0.00 34.13 32.30 3caw s GLU 280 CO 0.45 -1.40 0.52 -1.13 0.02 0.00 0.00 175.26 173.73 3caw n SER 281 N -1.62 0.68 -3.07 -0.19 3.41 -0.60 -4.57 113.62 107.65 3caw n SER 281 Ca 0.14 -1.58 -0.17 0.00 -0.26 0.00 0.00 58.87 57.00 3caw n SER 281 Cb 0.48 -0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 3caw n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3caw n GLY 282 N 1.02 2.63 0.00 5.00 0.00 -0.16 -1.04 105.19 112.63 3caw n GLY 282 Ca 0.09 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 44.95 3caw n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3caw n LEU 284 N -1.46 4.69 0.00 0.00 7.94 -1.26 -4.45 117.00 122.46 3caw n LEU 284 Ca 0.01 -3.50 0.00 0.00 -1.11 0.00 0.00 56.01 51.41 3caw n LEU 284 Cb 0.22 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.62 3caw n LEU 284 CO 0.25 -0.26 0.31 0.35 -1.11 0.00 0.00 177.39 176.92 3caw n THR 285 N 6.34 0.34 0.31 1.96 -2.24 -1.26 -4.72 114.28 115.00 3caw n THR 285 Ca 0.49 -0.58 0.20 0.00 -2.27 0.00 0.00 64.05 61.89 3caw n THR 285 Cb 0.43 0.93 0.93 0.00 -2.10 0.00 0.00 70.33 70.53 3caw n THR 285 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 3caw h HIS 286 N 0.00 0.00 0.00 4.78 2.07 -1.88 -1.41 115.15 118.71 3caw h HIS 286 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3caw h HIS 286 Cb 0.30 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.28 3caw h HIS 286 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.40 3caw n ARG 287 N -3.09 0.75 0.10 5.12 1.74 -1.26 -2.92 116.66 117.10 3caw n ARG 287 Ca -0.01 0.01 0.13 0.00 -0.77 0.00 0.00 57.85 57.20 3caw n ARG 287 Cb 0.20 -1.50 0.44 0.00 -1.02 0.00 0.00 32.46 30.58 3caw n ARG 287 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3caw n LEU 288 N -1.09 0.69 -4.41 0.55 4.77 -0.53 -4.81 117.00 112.16 3caw n LEU 288 Ca 0.19 0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 56.51 3caw n LEU 288 Cb 0.14 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 3caw n LEU 288 CO 0.18 -0.26 -0.50 -0.31 -1.33 0.00 0.00 177.39 175.17 3caw s TYR 289 N -3.14 2.17 0.39 -1.77 2.02 -1.15 -1.63 117.35 114.24 3caw s TYR 289 Ca 0.09 -0.39 -0.26 0.00 -0.37 0.00 0.00 57.07 56.15 3caw s TYR 289 Cb 0.12 -1.04 -0.09 0.00 -0.40 0.00 0.00 41.96 40.56 3caw s TYR 289 CO 0.53 0.51 1.19 -0.65 -1.57 0.00 0.00 175.55 175.56 3caw s GLN 290 N -2.94 4.10 0.11 -0.62 -0.21 0.79 -4.76 119.66 116.14 3caw s GLN 290 Ca 0.22 1.90 -0.35 0.00 0.02 0.00 0.00 55.36 57.14 3caw s GLN 290 Cb -0.06 -2.74 -0.17 0.00 1.00 0.00 0.00 33.01 31.03 3caw s GLN 290 CO 0.10 -0.29 1.18 -0.12 -2.12 0.00 0.00 175.29 174.04 3caw n MET 291 N 0.20 0.88 -4.70 2.91 0.00 -1.26 -4.69 117.12 110.46 3caw n MET 291 Ca 0.04 0.32 -0.31 0.00 -0.00 0.00 0.00 57.70 57.74 3caw n MET 291 Cb 0.46 -1.84 -0.08 0.00 0.00 0.00 0.00 33.22 31.76 3caw n MET 291 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3caw s ASP 292 N 0.13 3.78 0.27 6.12 -4.77 -1.26 -5.01 116.67 115.93 3caw s ASP 292 Ca 0.80 -1.69 -0.01 0.00 -3.30 0.00 0.00 52.55 48.36 3caw s ASP 292 Cb -0.97 0.59 0.46 0.00 -1.09 0.00 0.00 42.92 41.91 3caw s ASP 292 CO 0.51 -0.91 1.87 -1.28 0.70 0.00 0.00 175.17 176.07 3caw h SER 293 N 1.44 1.00 -0.01 2.11 0.87 -2.00 -2.73 113.55 114.22 3caw h SER 293 Ca -0.41 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 3caw h SER 293 Cb 1.31 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 3caw h SER 293 CO 0.68 0.61 -0.02 -0.26 -0.53 0.00 0.00 176.83 177.31 3caw h PHE 294 N 1.12 0.05 -0.30 2.24 0.04 -2.01 -3.18 116.94 114.90 3caw h PHE 294 Ca 0.45 -0.02 0.09 0.00 2.80 0.00 0.00 57.97 61.29 3caw h PHE 294 Cb 0.26 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 3caw h PHE 294 CO -0.00 0.57 0.24 0.00 -0.60 0.00 0.00 178.31 178.52 3caw h ALA 295 N 0.47 2.17 0.00 2.45 0.00 -1.93 0.12 119.26 122.55 3caw h ALA 295 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3caw h ALA 295 Cb 0.57 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3caw h ALA 295 CO 0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 179.25 178.84 3caw h ALA 296 N 1.80 1.08 -0.01 0.00 0.00 -1.46 -1.69 119.26 118.98 3caw h ALA 296 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3caw h ALA 296 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3caw h ALA 296 CO -0.00 0.02 -0.33 0.39 0.00 0.00 0.00 179.25 179.33 3caw n GLU 297 N -3.22 0.89 -3.53 0.00 -0.58 0.03 -4.91 120.64 109.32 3caw n GLU 297 Ca -0.02 -0.60 -0.37 0.00 -0.42 0.00 0.00 57.16 55.75 3caw n GLU 297 Cb 0.16 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.48 3caw n GLU 297 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3caw s LEU 298 N -2.52 4.43 0.07 -4.62 1.43 -0.64 -4.67 118.68 112.17 3caw s LEU 298 Ca 0.22 0.90 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 3caw s LEU 298 Cb 0.19 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 3caw s LEU 298 CO 0.54 0.28 -0.13 -0.44 0.23 0.00 0.00 176.35 176.84 3caw s SER 299 N -1.29 1.49 0.17 2.29 0.01 -1.26 -5.04 113.70 110.07 3caw s SER 299 Ca 0.26 -0.62 0.05 0.00 1.31 0.00 0.00 55.95 56.96 3caw s SER 299 Cb -0.16 -0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.00 3caw s SER 299 CO 0.14 -0.12 -0.10 0.42 0.41 0.00 0.00 173.24 174.00 3caw s THR 300 N -1.38 1.29 -0.45 1.44 -4.23 -1.26 -0.78 115.64 110.27 3caw s THR 300 Ca -0.03 -2.09 0.03 0.00 -1.18 0.00 0.00 61.69 58.41 3caw s THR 300 Cb -0.09 -1.93 0.15 0.00 1.34 0.00 0.00 72.50 71.97 3caw s THR 300 CO 0.02 -0.68 0.30 -1.58 -0.54 0.00 0.00 174.62 172.14 3caw s GLN 301 N -3.73 1.16 7.85 3.99 -0.44 -0.17 -4.90 119.66 123.42 3caw s GLN 301 Ca 0.19 -2.08 0.00 0.00 -2.50 0.00 0.00 55.36 50.97 3caw s GLN 301 Cb 0.02 -1.95 0.00 0.00 -1.64 0.00 0.00 33.01 29.44 3caw s GLN 301 CO 0.03 -1.27 0.00 0.41 0.50 0.00 0.00 175.29 174.96 3caw n GLY 302 N 3.20 3.54 0.00 2.59 0.00 -1.26 -1.81 105.19 111.45 3caw n GLY 302 Ca 0.18 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.21 3caw n GLY 302 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3caw n PRO 303 N 13.77 0.64 -4.23 1.61 -0.04 -1.26 -4.78 135.00 140.71 3caw n PRO 303 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 3caw n PRO 303 Cb 0.00 -1.47 -0.09 0.00 -0.04 0.00 0.00 33.50 31.89 3caw n PRO 303 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3caw s TYR 304 N -2.00 3.23 -0.20 0.54 2.02 -0.75 -0.65 117.35 119.54 3caw s TYR 304 Ca 0.29 0.16 -0.16 0.00 -0.37 0.00 0.00 57.07 57.00 3caw s TYR 304 Cb 0.13 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 3caw s TYR 304 CO 0.22 0.39 0.39 -1.17 -1.57 0.00 0.00 175.55 173.81 3caw s LEU 305 N -0.52 4.16 0.52 -1.29 2.96 -1.26 -0.99 118.68 122.25 3caw s LEU 305 Ca 0.10 0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 54.40 3caw s LEU 305 Cb -0.12 -2.50 -0.06 0.00 0.50 0.00 0.00 46.19 44.02 3caw s LEU 305 CO 0.02 -0.07 0.91 -0.76 -1.32 0.00 0.00 176.35 175.14 3caw s LEU 306 N 1.28 3.55 -0.09 -0.68 1.43 0.04 -4.96 118.68 119.26 3caw s LEU 306 Ca 0.19 1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 54.30 3caw s LEU 306 Cb -0.15 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.76 3caw s LEU 306 CO 0.08 -0.63 1.61 -0.75 0.23 0.00 0.00 176.35 176.89 3caw s LYS 307 N -4.49 4.13 0.60 1.70 2.20 -1.26 -4.61 119.74 118.01 3caw s LYS 307 Ca 0.54 2.06 -0.08 0.00 -0.36 0.00 0.00 55.97 58.12 3caw s LYS 307 Cb -0.10 -3.97 -0.01 0.00 -1.51 0.00 0.00 37.83 32.23 3caw s LYS 307 CO 0.41 -0.90 0.96 0.54 -0.36 0.00 0.00 175.35 176.00 3caw s ASN 308 N 3.34 5.89 0.42 1.43 4.22 -1.26 -4.97 114.94 124.01 3caw s ASN 308 Ca 0.71 1.06 -0.25 0.00 -2.14 0.00 0.00 52.86 52.24 3caw s ASN 308 Cb -0.31 -2.09 -0.08 0.00 1.28 0.00 0.00 41.25 40.05 3caw s ASN 308 CO 0.28 -0.97 1.21 -0.54 -2.04 0.00 0.00 177.10 175.04 3caw s LYS 309 N -5.08 3.91 0.00 3.55 1.02 -1.26 -4.87 119.74 117.02 3caw s LYS 309 Ca 0.54 1.92 0.00 0.00 0.02 0.00 0.00 55.97 58.44 3caw s LYS 309 Cb -0.11 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 3caw s LYS 309 CO 0.49 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 3caw n GLY 310 N 0.60 -0.05 3.57 -3.33 0.00 -1.26 -3.09 105.19 101.63 3caw n GLY 310 Ca 0.05 -2.28 -0.25 0.00 0.00 0.00 0.00 46.02 43.54 3caw n GLY 310 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3caw s THR 311 N -0.14 2.39 0.00 2.61 -4.23 -1.26 -4.51 115.64 110.50 3caw s THR 311 Ca 0.00 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 3caw s THR 311 Cb 0.00 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.17 3caw s THR 311 CO 0.00 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3caw n GLY 312 N -0.83 2.27 0.58 3.99 0.00 0.72 -0.23 105.19 111.69 3caw n GLY 312 Ca -0.05 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.71 3caw n GLY 312 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3caw n VAL 313 N 0.00 0.33 -2.31 1.61 0.24 -1.26 -0.35 118.33 116.59 3caw n VAL 313 Ca 0.00 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3caw n VAL 313 Cb 0.00 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 3caw n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3caw n GLY 314 N 1.08 -0.73 2.33 7.63 0.00 0.68 -4.92 105.19 111.25 3caw n GLY 314 Ca 0.14 -1.48 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 3caw n GLY 314 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3caw n PHE 315 N 0.00 -0.75 -0.31 1.61 3.72 -1.18 -4.69 117.46 115.86 3caw n PHE 315 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 3caw n PHE 315 Cb 0.00 -3.10 0.00 0.00 -0.94 0.00 0.00 39.48 35.44 3caw n PHE 315 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3caw h ASP 316 N 0.00 -1.48 -0.57 4.37 5.19 -1.85 0.29 116.42 122.38 3caw h ASP 316 Ca -0.36 0.28 -0.07 0.00 -0.62 0.00 0.00 57.03 56.27 3caw h ASP 316 Cb 1.17 0.73 -0.02 0.00 0.18 0.00 0.00 39.33 41.38 3caw h ASP 316 CO 0.46 -0.30 0.09 0.11 -3.12 0.00 0.00 179.24 176.49 3caw h LYS 317 N -0.09 0.94 -0.40 3.56 1.57 -1.95 -1.68 116.57 118.52 3caw h LYS 317 Ca 0.26 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3caw h LYS 317 Cb 0.56 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3caw h LYS 317 CO -0.85 0.90 0.13 -0.07 -0.57 0.00 0.00 179.45 178.98 3caw h LEU 318 N 0.83 0.59 -0.45 2.94 3.38 -1.68 -0.94 115.31 119.98 3caw h LEU 318 Ca 0.17 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3caw h LEU 318 Cb 0.42 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3caw h LEU 318 CO 0.01 0.64 -0.12 -0.07 0.09 0.00 0.00 178.44 178.99 3caw h LEU 319 N 0.51 0.88 -1.57 1.67 3.38 -0.95 -2.69 115.31 116.55 3caw h LEU 319 Ca 0.13 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 3caw h LEU 319 Cb 0.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3caw h LEU 319 CO -0.00 1.05 -0.22 -0.08 0.09 0.00 0.00 178.44 179.28 3caw h GLU 320 N 0.71 0.00 -0.00 1.13 4.22 -1.20 -2.64 114.58 116.80 3caw h GLU 320 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.55 3caw h GLU 320 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3caw h GLU 320 CO 0.05 0.22 -0.05 0.00 -2.18 0.00 0.00 179.01 177.04 3caw n ALA 321 N -2.34 2.58 -2.23 2.92 0.00 -0.37 -4.88 120.51 116.20 3caw n ALA 321 Ca -0.02 -0.18 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 3caw n ALA 321 Cb 0.32 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 3caw n ALA 321 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3caw s LEU 322 N -2.64 4.01 -0.22 0.00 1.43 -1.00 -5.05 118.68 115.21 3caw s LEU 322 Ca 0.25 1.13 -0.19 0.00 -1.03 0.00 0.00 54.13 54.29 3caw s LEU 322 Cb 0.20 -3.95 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 3caw s LEU 322 CO 0.49 -0.24 0.56 -0.89 0.23 0.00 0.00 176.35 176.49 3caw s THR 323 N -2.08 5.06 -0.19 5.49 2.01 -1.26 -5.05 115.64 119.62 3caw s THR 323 Ca 0.51 1.01 -0.07 0.00 0.31 0.00 0.00 61.69 63.46 3caw s THR 323 Cb -0.10 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3caw s THR 323 CO 0.23 0.13 0.06 0.26 -0.69 0.00 0.00 174.62 174.60 3caw s TRP 324 N 1.94 3.20 -0.15 4.92 0.52 -1.26 -4.68 118.94 123.42 3caw s TRP 324 Ca 0.25 -0.04 -0.14 0.00 0.02 0.00 0.00 56.10 56.18 3caw s TRP 324 Cb -0.16 -2.10 -0.05 0.00 -1.15 0.00 0.00 33.47 30.02 3caw s TRP 324 CO 0.09 0.05 0.32 0.71 0.02 0.00 0.00 176.95 178.14 3caw s TYR 325 N 0.59 3.47 0.12 -1.98 2.02 0.32 -4.79 117.35 117.11 3caw s TYR 325 Ca 0.03 0.64 -0.32 0.00 -0.37 0.00 0.00 57.07 57.04 3caw s TYR 325 Cb -0.13 -2.36 -0.12 0.00 -0.40 0.00 0.00 41.96 38.95 3caw s TYR 325 CO 0.01 0.24 1.75 1.04 -1.57 0.00 0.00 175.55 177.03 3caw n GLN 326 N 3.53 2.54 0.00 -0.62 6.02 -1.26 -0.22 117.38 127.37 3caw n GLN 326 Ca -0.11 0.92 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 3caw n GLN 326 Cb 0.52 -2.77 0.00 0.00 1.02 0.00 0.00 30.24 29.01 3caw n GLN 326 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3caw n LEU 327 N 4.83 0.00 0.00 1.08 7.94 0.14 -4.87 117.00 126.12 3caw n LEU 327 Ca 0.18 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 3caw n LEU 327 Cb 0.33 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.22 3caw n LEU 327 CO 0.66 -0.11 0.00 1.17 -1.11 0.00 0.00 177.39 177.99