#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 1.05 0.21 -0.18 1.01 -0.63 -0.60 121.20 122.06 3caw s ILE 4 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.21 3caw s ILE 4 Cb 0.00 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 3caw s ILE 4 CO 0.00 0.32 -0.04 -0.44 0.00 0.00 0.00 174.94 174.78 3caw s SER 5 N 0.34 1.91 0.09 3.58 0.01 -0.07 -0.51 113.70 119.05 3caw s SER 5 Ca -0.07 -1.15 -0.02 0.00 1.31 0.00 0.00 55.95 56.02 3caw s SER 5 Cb -0.12 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 3caw s SER 5 CO 0.02 -0.44 0.03 -0.72 0.41 0.00 0.00 173.24 172.54 3caw s TYR 6 N -3.35 0.65 -0.09 2.43 1.13 0.27 -0.81 117.35 117.58 3caw s TYR 6 Ca 0.25 -1.11 -0.02 0.00 -1.41 0.00 0.00 57.07 54.78 3caw s TYR 6 Cb 0.04 -0.40 0.04 0.00 -1.10 0.00 0.00 41.96 40.54 3caw s TYR 6 CO 0.07 -0.46 0.03 0.45 -2.51 0.00 0.00 175.55 173.12 3caw s SER 7 N -2.98 1.75 0.71 -0.18 0.15 -0.69 -0.97 113.70 111.49 3caw s SER 7 Ca 0.15 -0.20 -0.11 0.00 0.70 0.00 0.00 55.95 56.49 3caw s SER 7 Cb 0.07 -0.37 0.01 0.00 -1.71 0.00 0.00 66.02 64.03 3caw s SER 7 CO -0.04 -0.24 1.06 -2.16 1.20 0.00 0.00 173.24 173.06 3caw s PRO 8 N 2.02 2.84 0.14 5.44 0.04 -1.26 -0.65 135.00 143.57 3caw s PRO 8 Ca 0.04 0.89 -0.24 0.00 0.04 0.00 0.00 61.00 61.73 3caw s PRO 8 Cb -0.13 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.50 3caw s PRO 8 CO -0.05 -1.15 0.66 1.52 0.04 0.00 0.00 177.00 178.01 3caw s TYR 9 N -3.07 -0.48 0.02 0.56 1.13 -0.74 -4.86 117.35 109.90 3caw s TYR 9 Ca 0.58 0.27 0.06 0.00 -1.41 0.00 0.00 57.07 56.57 3caw s TYR 9 Cb -0.14 0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 41.27 3caw s TYR 9 CO 0.55 -0.82 -0.17 0.95 -2.51 0.00 0.00 175.55 173.55 3caw s THR 10 N -3.65 1.33 -0.11 -3.49 -4.23 -1.26 -1.81 115.64 102.42 3caw s THR 10 Ca 0.02 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.63 3caw s THR 10 Cb -0.01 -1.15 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 3caw s THR 10 CO -0.11 0.21 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.22 3caw s LEU 11 N -0.84 2.34 -0.26 4.79 1.43 0.14 -4.92 118.68 121.36 3caw s LEU 11 Ca 0.05 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 3caw s LEU 11 Cb -0.07 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3caw s LEU 11 CO 0.01 0.17 0.10 -0.75 0.23 0.00 0.00 176.35 176.10 3caw s LYS 12 N 0.31 3.65 0.65 1.70 2.20 -1.26 0.19 119.74 127.19 3caw s LYS 12 Ca -0.15 -0.49 -0.18 0.00 -0.36 0.00 0.00 55.97 54.79 3caw s LYS 12 Cb -0.17 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 3caw s LYS 12 CO 0.07 -0.22 1.25 -2.30 -0.36 0.00 0.00 175.35 173.80 3caw n PRO 13 N 4.95 1.06 0.00 4.03 -0.02 -1.26 -0.41 135.00 143.35 3caw n PRO 13 Ca -0.16 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3caw n PRO 13 Cb 0.51 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.94 0.22 -4.01 -1.45 0.31 -0.94 -4.63 118.33 105.89 3caw n VAL 14 Ca 0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.18 3caw n VAL 14 Cb 0.48 -0.59 -0.16 0.00 -0.91 0.00 0.00 33.84 32.65 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 0.69 1.90 -0.08 3.52 0.00 -1.26 -5.04 121.76 121.49 3caw s ALA 25 Ca 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 3caw s ALA 25 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 3caw s ALA 25 CO 0.00 -0.54 -0.05 1.03 0.00 0.00 0.00 175.76 176.20 3caw s ARG 26 N 1.46 2.85 -0.06 0.00 0.52 0.13 -4.92 118.95 118.93 3caw s ARG 26 Ca 0.03 -0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 54.70 3caw s ARG 26 Cb -0.14 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 3caw s ARG 26 CO -0.10 0.66 0.06 -1.21 0.02 0.00 0.00 175.30 174.73 3caw s GLU 27 N -0.78 3.11 0.33 3.54 2.02 -1.26 0.28 118.70 125.94 3caw s GLU 27 Ca 0.12 -0.38 -0.10 0.00 0.02 0.00 0.00 54.97 54.63 3caw s GLU 27 Cb -0.11 -2.90 0.04 0.00 0.10 0.00 0.00 34.13 31.26 3caw s GLU 27 CO 0.02 0.70 0.61 0.41 0.02 0.00 0.00 175.26 177.02 3caw n GLY 28 N 1.77 1.39 3.11 -1.39 0.00 -0.75 -4.61 105.19 104.70 3caw n GLY 28 Ca -0.17 -1.30 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 3caw n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3caw s VAL 29 N -2.36 0.03 0.29 1.61 -7.23 -0.89 -1.79 120.40 110.06 3caw s VAL 29 Ca 0.16 -0.22 -0.10 0.00 -1.81 0.00 0.00 61.98 60.01 3caw s VAL 29 Cb -0.03 -0.36 -0.07 0.00 0.56 0.00 0.00 36.38 36.48 3caw s VAL 29 CO 0.12 -0.12 0.62 -0.76 -0.31 0.00 0.00 175.10 174.65 3caw s LEU 30 N -0.39 4.08 -0.04 1.32 1.43 0.18 -1.39 118.68 123.86 3caw s LEU 30 Ca -0.05 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 54.11 3caw s LEU 30 Cb -0.03 -3.80 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 3caw s LEU 30 CO 0.01 -0.17 -0.23 -0.76 0.23 0.00 0.00 176.35 175.43 3caw s LEU 31 N -3.12 2.03 -0.25 1.79 1.43 0.14 -1.71 118.68 118.99 3caw s LEU 31 Ca 0.49 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3caw s LEU 31 Cb -0.11 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.88 3caw s LEU 31 CO 0.23 0.24 -0.05 -0.75 0.23 0.00 0.00 176.35 176.26 3caw s LYS 32 N -0.24 2.93 -0.12 1.70 2.20 0.01 -1.90 119.74 124.32 3caw s LYS 32 Ca 0.00 -0.92 -0.01 0.00 -0.36 0.00 0.00 55.97 54.69 3caw s LYS 32 Cb -0.12 -3.02 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 3caw s LYS 32 CO 0.02 -0.37 -0.09 0.08 -0.36 0.00 0.00 175.35 174.62 3caw s VAL 33 N 1.36 3.42 -0.04 4.02 1.01 -0.12 -0.89 120.40 129.17 3caw s VAL 33 Ca 0.01 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3caw s VAL 33 Cb -0.16 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3caw s VAL 33 CO -0.04 0.54 -0.22 -1.61 0.00 0.00 0.00 175.10 173.77 3caw s GLU 34 N 0.02 2.36 0.28 2.72 2.02 0.23 -1.23 118.70 125.11 3caw s GLU 34 Ca -0.02 -0.84 0.09 0.00 0.02 0.00 0.00 54.97 54.21 3caw s GLU 34 Cb -0.14 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 3caw s GLU 34 CO 0.04 0.54 0.06 -1.58 0.02 0.00 0.00 175.26 174.33 3caw s TRP 35 N -0.53 2.75 0.56 1.61 0.51 -0.34 -1.76 118.94 121.74 3caw s TRP 35 Ca 0.07 -0.25 0.25 0.00 -2.12 0.00 0.00 56.10 54.05 3caw s TRP 35 Cb -0.11 -1.33 1.50 0.00 -0.81 0.00 0.00 33.47 32.72 3caw s TRP 35 CO 0.01 0.54 2.10 -0.97 -0.51 0.00 0.00 176.95 178.11 3caw h ASN 36 N 1.75 0.00 0.00 2.95 -1.24 -2.01 -0.67 115.58 116.36 3caw h ASN 36 Ca -0.45 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.56 3caw h ASN 36 Cb 1.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.30 3caw h ASN 36 CO 0.61 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.85 3caw n ASP 37 N -4.15 0.00 0.00 1.15 5.68 -1.26 -4.86 116.55 113.11 3caw n ASP 37 Ca 0.02 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.76 3caw n ASP 37 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 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 0.54 1.60 3.84 6.12 0.00 -0.26 -5.05 105.19 111.98 3caw n GLY 38 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 3.74 -0.00 0.99 1.02 -1.26 -4.86 118.68 118.31 3caw s LEU 39 Ca 0.00 1.58 -0.01 0.00 0.02 0.00 0.00 54.13 55.72 3caw s LEU 39 Cb 0.00 -4.49 -0.00 0.00 0.02 0.00 0.00 46.19 41.72 3caw s LEU 39 CO 0.00 -0.50 0.02 -0.72 0.02 0.00 0.00 176.35 175.16 3caw s TYR 40 N -2.47 0.05 0.24 0.29 -0.85 -1.26 -1.19 117.35 112.16 3caw s TYR 40 Ca 0.59 -0.10 -0.04 0.00 -0.52 0.00 0.00 57.07 57.00 3caw s TYR 40 Cb -0.10 -0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.17 3caw s TYR 40 CO 0.26 -0.07 0.28 0.20 -1.52 0.00 0.00 175.55 174.70 3caw s GLY 41 N -0.45 1.24 0.12 5.49 0.00 -0.36 -4.23 107.32 109.13 3caw s GLY 41 Ca -0.05 -1.46 0.07 0.00 0.00 0.00 0.00 44.72 43.28 3caw s GLY 41 CO -0.00 -1.13 -0.16 -1.36 0.00 0.00 0.00 173.10 170.45 3caw s PHE 42 N -3.95 1.53 0.35 1.90 0.08 -1.26 -0.95 117.98 115.69 3caw s PHE 42 Ca 0.33 -0.50 -0.15 0.00 0.12 0.00 0.00 56.93 56.73 3caw s PHE 42 Cb 0.04 -0.81 0.04 0.00 -0.57 0.00 0.00 43.02 41.71 3caw s PHE 42 CO 0.13 0.18 0.71 0.00 -0.10 0.00 0.00 175.22 176.15 3caw s ALA 43 N -1.80 -0.64 0.18 5.36 0.00 -0.80 -4.10 121.76 119.96 3caw s ALA 43 Ca 0.08 -0.75 0.09 0.00 0.00 0.00 0.00 51.96 51.38 3caw s ALA 43 Cb -0.07 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 3caw s ALA 43 CO 0.04 -0.97 -0.10 0.34 0.00 0.00 0.00 175.76 175.07 3caw s ASP 44 N -3.05 4.22 -0.22 0.00 2.15 -1.26 -0.69 116.67 117.82 3caw s ASP 44 Ca 0.17 -0.58 -0.02 0.00 0.43 0.00 0.00 52.55 52.55 3caw s ASP 44 Cb -0.04 -0.71 0.07 0.00 -0.30 0.00 0.00 42.92 41.94 3caw s ASP 44 CO 0.11 0.11 0.04 -0.22 -0.17 0.00 0.00 175.17 175.05 3caw s LEU 45 N -2.77 1.45 -0.35 -1.34 2.96 -0.49 -4.69 118.68 113.44 3caw s LEU 45 Ca 0.24 -1.01 -0.00 0.00 -0.22 0.00 0.00 54.13 53.13 3caw s LEU 45 Cb -0.09 -0.68 0.12 0.00 0.50 0.00 0.00 46.19 46.04 3caw s LEU 45 CO 0.15 -0.33 0.17 -2.28 -1.32 0.00 0.00 176.35 172.75 3caw s HIS 46 N 1.79 1.18 0.53 5.38 2.46 -1.26 -2.09 115.29 123.28 3caw s HIS 46 Ca 0.01 -1.70 -0.20 0.00 0.47 0.00 0.00 55.06 53.64 3caw s HIS 46 Cb -0.17 -1.34 -0.07 0.00 -0.13 0.00 0.00 32.58 30.87 3caw s HIS 46 CO -0.12 -0.83 1.11 -2.14 -2.47 0.00 0.00 174.74 170.29 3caw s PRO 47 N 1.22 3.48 -0.58 2.88 0.02 -1.26 -4.97 135.00 135.80 3caw s PRO 47 Ca 0.14 1.56 0.04 0.00 0.02 0.00 0.00 61.00 62.76 3caw s PRO 47 Cb -0.21 -2.05 0.16 0.00 0.02 0.00 0.00 34.50 32.43 3caw s PRO 47 CO -0.13 -0.73 0.41 -1.58 -0.33 0.00 0.00 177.00 174.64 3caw s TRP 48 N -1.81 2.68 0.57 6.54 0.52 -1.26 -4.93 118.94 121.25 3caw s TRP 48 Ca 0.71 -2.94 0.26 0.00 0.02 0.00 0.00 56.10 54.15 3caw s TRP 48 Cb -0.22 -2.13 1.59 0.00 -1.15 0.00 0.00 33.47 31.56 3caw s TRP 48 CO 0.26 -0.66 2.12 -1.35 0.02 0.00 0.00 176.95 177.33 3caw h PRO 49 N 5.69 0.00 0.00 4.98 0.11 -1.84 0.23 132.00 141.17 3caw h PRO 49 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3caw h PRO 49 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3caw h PRO 49 CO 0.59 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.31 3caw h GLU 50 N 0.00 0.00 -0.49 1.05 3.07 -1.92 -1.60 114.58 114.70 3caw h GLU 50 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3caw h GLU 50 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3caw h GLU 50 CO -0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 3caw n LEU 51 N -3.08 3.37 0.00 1.33 4.77 0.77 -4.95 117.00 119.21 3caw n LEU 51 Ca -0.01 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 3caw n LEU 51 Cb 0.21 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3caw n LEU 51 CO 0.24 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 3caw n GLY 52 N 1.14 0.57 3.79 -0.72 0.00 -0.60 -5.07 105.19 104.31 3caw n GLY 52 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.99 5.83 0.56 1.61 1.01 -1.00 -4.95 116.67 117.74 3caw s ASP 53 Ca 0.00 1.91 -0.18 0.00 0.71 0.00 0.00 52.55 54.99 3caw s ASP 53 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 3caw s ASP 53 CO 0.00 -1.13 1.10 -0.76 0.21 0.00 0.00 175.17 174.58 3caw s LEU 54 N -4.21 3.66 0.90 1.23 1.43 -1.26 -3.87 118.68 116.55 3caw s LEU 54 Ca 0.66 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 55.69 3caw s LEU 54 Cb -0.18 -4.56 0.13 0.00 0.03 0.00 0.00 46.19 41.61 3caw s LEU 54 CO 0.32 -1.20 1.10 -0.94 0.23 0.00 0.00 176.35 175.86 3caw s SER 55 N -2.12 3.33 0.17 2.29 1.04 -1.26 -4.68 113.70 112.47 3caw s SER 55 Ca 0.69 1.78 -0.15 0.00 0.48 0.00 0.00 55.95 58.75 3caw s SER 55 Cb -0.21 -2.39 0.11 0.00 0.10 0.00 0.00 66.02 63.63 3caw s SER 55 CO 0.30 -2.77 1.75 0.25 0.98 0.00 0.00 173.24 173.74 3caw h LEU 56 N -1.64 0.14 -0.73 2.42 5.85 -1.91 0.15 115.31 119.59 3caw h LEU 56 Ca -0.47 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.34 3caw h LEU 56 Cb 1.27 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 3caw h LEU 56 CO 0.50 0.11 0.44 -0.08 -0.34 0.00 0.00 178.44 179.07 3caw h GLU 57 N 0.30 0.80 -0.33 1.25 4.81 -1.99 -1.25 114.58 118.18 3caw h GLU 57 Ca 0.20 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 3caw h GLU 57 Cb 0.19 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3caw h GLU 57 CO -0.21 0.53 -0.45 1.49 -0.73 0.00 0.00 179.01 179.65 3caw h GLU 58 N 0.83 0.88 -0.65 1.92 4.81 -1.67 -0.50 114.58 120.20 3caw h GLU 58 Ca 0.31 -0.51 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 3caw h GLU 58 Cb 0.11 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3caw h GLU 58 CO -0.15 1.15 0.29 1.96 -0.73 0.00 0.00 179.01 181.54 3caw h GLN 59 N 0.68 0.95 -0.24 1.92 4.20 -0.43 0.69 115.11 122.88 3caw h GLN 59 Ca 0.04 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.45 3caw h GLN 59 Cb 1.05 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3caw h GLN 59 CO 0.11 0.77 -0.44 -0.07 -0.67 0.00 0.00 178.83 178.52 3caw h LEU 60 N 0.90 0.64 -0.17 1.46 3.38 -1.20 -0.79 115.31 119.53 3caw h LEU 60 Ca 0.22 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3caw h LEU 60 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3caw h LEU 60 CO -0.02 0.99 0.05 -1.28 0.09 0.00 0.00 178.44 178.27 3caw h SER 61 N 0.48 0.24 -0.64 -0.43 0.87 -0.74 -1.89 113.55 111.44 3caw h SER 61 Ca 0.03 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 3caw h SER 61 Cb 0.97 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 3caw h SER 61 CO 0.09 0.39 0.31 0.44 -0.53 0.00 0.00 176.83 177.52 3caw h ASP 62 N 0.09 0.87 -0.36 6.23 3.32 -0.76 -2.68 116.42 123.12 3caw h ASP 62 Ca 0.05 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.02 3caw h ASP 62 Cb 0.23 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3caw h ASP 62 CO -0.00 0.75 0.21 0.25 -1.72 0.00 0.00 179.24 178.73 3caw h LEU 63 N 0.95 0.35 -2.22 1.55 5.85 -0.88 -1.35 115.31 119.57 3caw h LEU 63 Ca 0.23 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3caw h LEU 63 Cb 0.12 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3caw h LEU 63 CO -0.03 0.25 -0.05 0.03 -0.34 0.00 0.00 178.44 178.31 3caw h ARG 64 N 0.44 0.00 -0.33 1.25 3.08 -1.02 -1.39 114.38 116.41 3caw h ARG 64 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3caw h ARG 64 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3caw h ARG 64 CO -0.06 0.05 0.00 -1.33 -1.07 0.00 0.00 179.97 177.55 3caw n MET 65 N -3.91 2.07 0.00 0.04 2.81 -0.64 -4.95 117.12 112.55 3caw n MET 65 Ca -0.03 -1.64 0.00 0.00 -1.81 0.00 0.00 57.70 54.23 3caw n MET 65 Cb 0.13 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 3caw n MET 65 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3caw n GLY 66 N 1.28 0.93 3.07 3.03 0.00 -0.52 -5.07 105.19 107.91 3caw n GLY 66 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.74 1.87 -0.15 1.61 3.52 -0.60 -4.99 118.95 119.46 3caw s ARG 67 Ca 0.00 -0.51 -0.06 0.00 -0.13 0.00 0.00 55.73 55.04 3caw s ARG 67 Cb 0.00 -1.53 -0.04 0.00 -1.56 0.00 0.00 34.95 31.82 3caw s ARG 67 CO 0.00 0.09 0.05 -1.64 -0.81 0.00 0.00 175.30 172.98 3caw s MET 68 N 0.49 3.64 0.82 5.12 -1.94 -1.26 -2.71 119.30 123.45 3caw s MET 68 Ca -0.13 -0.35 -0.11 0.00 -1.71 0.00 0.00 55.69 53.38 3caw s MET 68 Cb -0.15 -3.08 0.08 0.00 2.01 0.00 0.00 34.83 33.69 3caw s MET 68 CO 0.04 0.44 1.10 0.95 -0.01 0.00 0.00 175.02 177.53 3caw s THR 69 N -0.11 2.99 0.43 2.05 -4.23 -1.26 -4.81 115.64 110.71 3caw s THR 69 Ca 0.06 0.32 0.13 0.00 -1.18 0.00 0.00 61.69 61.02 3caw s THR 69 Cb -0.12 -3.01 0.18 0.00 1.34 0.00 0.00 72.50 70.89 3caw s THR 69 CO 0.01 -0.42 1.98 0.71 -0.54 0.00 0.00 174.62 176.36 3caw h THR 70 N -1.18 1.14 -0.65 3.99 1.35 -1.98 -0.57 112.91 115.01 3caw h THR 70 Ca -0.47 -0.62 -0.02 0.00 -0.55 0.00 0.00 66.41 64.75 3caw h THR 70 Cb 1.27 1.26 -0.03 0.00 -1.73 0.00 0.00 68.15 68.92 3caw h THR 70 CO 0.58 0.18 0.32 -0.61 -0.25 0.00 0.00 175.52 175.75 3caw h GLN 71 N 0.08 0.92 -0.34 4.72 4.15 -1.79 0.80 115.11 123.66 3caw h GLN 71 Ca 0.02 -0.13 -0.15 0.00 0.77 0.00 0.00 58.65 59.16 3caw h GLN 71 Cb 0.31 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3caw h GLN 71 CO 0.02 0.72 -0.39 0.82 -1.93 0.00 0.00 178.83 178.07 3caw h ILE 72 N 0.89 1.28 -0.98 2.39 2.04 -1.62 -1.17 117.51 120.35 3caw h ILE 72 Ca 0.22 -1.57 0.04 0.00 1.00 0.00 0.00 64.86 64.55 3caw h ILE 72 Cb 0.10 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 3caw h ILE 72 CO -0.03 0.51 0.64 -0.33 0.00 0.00 0.00 178.15 178.94 3caw h GLU 73 N 0.67 1.19 -0.52 2.37 5.08 -0.61 -0.90 114.58 121.86 3caw h GLU 73 Ca 0.05 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 3caw h GLU 73 Cb 0.96 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3caw h GLU 73 CO 0.09 0.79 -0.14 1.96 -1.00 0.00 0.00 179.01 180.71 3caw h GLN 74 N 1.23 1.00 -0.74 2.33 1.08 -0.56 -1.21 115.11 118.24 3caw h GLN 74 Ca 0.39 -0.38 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 3caw h GLN 74 Cb 0.01 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 3caw h GLN 74 CO -0.12 1.06 0.47 0.77 -0.95 0.00 0.00 178.83 180.06 3caw h SER 75 N 0.88 0.78 -0.44 1.46 0.02 -0.35 0.53 113.55 116.44 3caw h SER 75 Ca 0.13 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3caw h SER 75 Cb 0.70 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3caw h SER 75 CO 0.05 0.54 0.07 0.40 -1.14 0.00 0.00 176.83 176.76 3caw h ILE 76 N 0.92 1.24 -0.79 3.27 1.08 -0.94 0.12 117.51 122.42 3caw h ILE 76 Ca 0.29 -0.89 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 3caw h ILE 76 Cb -0.01 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 3caw h ILE 76 CO -0.10 0.31 0.47 -0.25 -0.69 0.00 0.00 178.15 177.89 3caw h TRP 77 N 0.59 1.04 -0.43 1.37 7.01 -0.79 -0.42 115.95 124.32 3caw h TRP 77 Ca 0.13 -0.00 -0.11 0.00 2.11 0.00 0.00 58.89 61.02 3caw h TRP 77 Cb 0.38 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 3caw h TRP 77 CO 0.03 0.70 -0.17 -0.07 -2.79 0.00 0.00 178.44 176.14 3caw h LEU 78 N 1.08 0.89 -1.37 0.65 3.38 -0.68 -2.21 115.31 117.05 3caw h LEU 78 Ca 0.28 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3caw h LEU 78 Cb -0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3caw h LEU 78 CO -0.05 1.08 0.25 0.00 0.09 0.00 0.00 178.44 179.81 3caw h ALA 79 N 0.84 1.52 -0.42 1.53 0.00 -0.24 -0.60 119.26 121.89 3caw h ALA 79 Ca 0.10 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3caw h ALA 79 Cb 0.72 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3caw h ALA 79 CO 0.05 0.39 -0.27 -0.09 0.00 0.00 0.00 179.25 179.33 3caw h ARG 80 N 0.68 0.93 -0.64 0.00 9.65 -0.84 0.17 114.38 124.33 3caw h ARG 80 Ca 0.17 -0.44 -0.01 0.00 -1.10 0.00 0.00 59.98 58.61 3caw h ARG 80 Cb 0.05 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 3caw h ARG 80 CO -0.03 1.09 0.37 0.00 2.80 0.00 0.00 179.97 184.21 3caw h ARG 81 N 0.76 0.87 -0.48 0.20 3.08 -0.75 -0.17 114.38 117.89 3caw h ARG 81 Ca 0.09 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3caw h ARG 81 Cb 0.85 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 3caw h ARG 81 CO 0.08 0.64 0.21 0.22 -1.07 0.00 0.00 179.97 180.04 3caw h ASP 82 N 0.86 0.65 -0.50 7.04 3.58 -0.93 -2.34 116.42 124.80 3caw h ASP 82 Ca 0.23 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 3caw h ASP 82 Cb -0.00 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 3caw h ASP 82 CO -0.04 0.62 0.29 0.00 -2.88 0.00 0.00 179.24 177.24 3caw h ALA 83 N 1.05 0.63 -0.74 -0.78 0.00 -0.04 -1.02 119.26 118.36 3caw h ALA 83 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3caw h ALA 83 Cb 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3caw h ALA 83 CO -0.02 0.13 0.41 -0.07 0.00 0.00 0.00 179.25 179.70 3caw h LEU 84 N 0.66 0.92 -0.64 0.00 3.38 -0.92 -2.26 115.31 116.46 3caw h LEU 84 Ca 0.18 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3caw h LEU 84 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3caw h LEU 84 CO -0.03 0.75 -0.26 -0.07 0.09 0.00 0.00 178.44 178.92 3caw h LEU 85 N 1.02 0.81 -1.30 1.67 3.38 -1.17 -2.26 115.31 117.46 3caw h LEU 85 Ca 0.26 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3caw h LEU 85 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3caw h LEU 85 CO -0.04 1.03 -0.19 0.03 0.09 0.00 0.00 178.44 179.35 3caw h ARG 86 N 0.68 0.23 -0.38 1.13 3.08 -0.96 0.26 114.38 118.42 3caw h ARG 86 Ca 0.08 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 3caw h ARG 86 Cb 0.79 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3caw h ARG 86 CO 0.07 0.42 -0.39 -0.22 -1.07 0.00 0.00 179.97 178.78 3caw h LYS 87 N 0.21 0.92 -0.00 0.04 1.63 -1.11 -2.84 116.57 115.42 3caw h LYS 87 Ca 0.04 -0.49 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 3caw h LYS 87 Cb 0.47 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 3caw h LYS 87 CO 0.03 1.15 -0.07 0.39 -3.45 0.00 0.00 179.45 177.50 3caw n GLU 88 N -4.07 0.17 -3.36 1.90 1.02 -0.88 -4.92 120.64 110.50 3caw n GLU 88 Ca -0.02 -0.02 -0.18 0.00 -0.02 0.00 0.00 57.16 56.91 3caw n GLU 88 Cb 0.55 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.54 3caw n GLU 88 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3caw n LYS 89 N -1.39 -6.42 -4.41 3.49 5.02 0.71 -5.03 118.16 110.14 3caw n LYS 89 Ca 0.09 0.73 -0.21 0.00 -2.02 0.00 0.00 58.31 56.90 3caw n LYS 89 Cb 0.31 -5.44 -0.10 0.00 -0.02 0.00 0.00 35.03 29.78 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 -5.71 1.49 0.10 1.97 -0.14 -0.05 -4.98 119.74 112.41 3caw s LYS 90 Ca 0.28 -1.69 0.01 0.00 -1.36 0.00 0.00 55.97 53.21 3caw s LYS 90 Cb -0.12 -1.34 -0.04 0.00 -1.68 0.00 0.00 37.83 34.64 3caw s LYS 90 CO 0.63 0.20 0.23 -1.58 -0.76 0.00 0.00 175.35 174.07 3caw s HIS 91 N -2.83 3.47 0.62 3.18 5.65 -1.26 -0.50 115.29 123.63 3caw s HIS 91 Ca 0.26 0.18 0.36 0.00 0.25 0.00 0.00 55.06 56.11 3caw s HIS 91 Cb -0.01 -1.71 2.07 0.00 -1.18 0.00 0.00 32.58 31.75 3caw s HIS 91 CO 0.11 0.56 2.29 -0.24 -0.65 0.00 0.00 174.74 176.81 3caw h VAL 92 N 1.95 0.30 0.00 0.89 3.04 -1.23 -1.61 116.25 119.59 3caw h VAL 92 Ca -0.46 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.07 3caw h VAL 92 Cb 1.17 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 31.42 3caw h VAL 92 CO 0.72 0.00 -0.72 -0.26 -1.01 0.00 0.00 177.57 176.30 3caw h PHE 93 N 0.00 0.00 -1.94 3.17 -1.00 -1.90 -3.44 116.94 111.83 3caw h PHE 93 Ca 0.00 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 60.15 3caw h PHE 93 Cb 0.04 0.00 0.05 0.00 3.61 0.00 0.00 35.95 39.65 3caw h PHE 93 CO 0.00 0.72 0.63 -0.25 -1.61 0.00 0.00 178.31 177.80 3caw n ASP 94 N -3.57 2.32 0.00 2.17 8.00 -0.61 -0.95 116.55 123.92 3caw n ASP 94 Ca -0.00 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.60 3caw n ASP 94 Cb 0.73 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 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 2.98 2.13 3.97 0.44 0.00 -1.26 -4.97 105.19 108.47 3caw n GLY 95 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.97 1.75 -0.21 -0.02 0.00 -0.12 -4.92 107.32 101.82 3caw s GLY 96 Ca 0.00 -1.26 -0.08 0.00 0.00 0.00 0.00 44.72 43.38 3caw s GLY 96 CO 0.00 -1.02 0.09 1.85 0.00 0.00 0.00 173.10 174.03 3caw s GLU 97 N -4.68 3.92 0.51 2.90 2.12 -0.58 -4.96 118.70 117.93 3caw s GLU 97 Ca 0.54 -0.36 -0.22 0.00 0.36 0.00 0.00 54.97 55.30 3caw s GLU 97 Cb -0.10 -3.33 -0.07 0.00 0.26 0.00 0.00 34.13 30.88 3caw s GLU 97 CO 0.38 0.10 1.07 0.36 -0.54 0.00 0.00 175.26 176.63 3caw n LYS 98 N 4.07 1.30 -4.16 4.30 2.85 -1.26 -4.41 118.16 120.85 3caw n LYS 98 Ca -0.16 0.48 -0.15 0.00 -1.05 0.00 0.00 58.31 57.42 3caw n LYS 98 Cb 0.52 -2.20 -0.13 0.00 -0.65 0.00 0.00 35.03 32.56 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 -1.37 0.53 0.26 0.58 2.07 -1.26 -5.03 121.20 116.99 3caw s ILE 99 Ca 0.69 -0.57 -0.22 0.00 -1.41 0.00 0.00 60.65 59.14 3caw s ILE 99 Cb -0.48 -0.51 -0.09 0.00 0.13 0.00 0.00 42.46 41.52 3caw s ILE 99 CO 0.52 -0.04 0.80 -0.54 -1.91 0.00 0.00 174.94 173.77 3caw s LYS 100 N -0.68 4.36 0.21 3.50 1.02 -1.26 -4.65 119.74 122.25 3caw s LYS 100 Ca -0.02 1.03 0.09 0.00 0.02 0.00 0.00 55.97 57.08 3caw s LYS 100 Cb -0.05 -2.84 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 3caw s LYS 100 CO 0.00 0.35 -0.02 -0.80 -0.92 0.00 0.00 175.35 173.96 3caw s ASN 101 N -1.65 4.56 0.66 2.83 0.01 -0.51 -0.91 114.94 119.94 3caw s ASN 101 Ca 0.46 -0.54 -0.06 0.00 -0.71 0.00 0.00 52.86 52.00 3caw s ASN 101 Cb -0.17 -0.88 0.04 0.00 0.41 0.00 0.00 41.25 40.65 3caw s ASN 101 CO 0.22 0.05 0.98 0.54 -1.51 0.00 0.00 177.10 177.38 3caw s ASN 102 N -3.23 5.10 -0.19 -1.22 2.20 -0.39 -4.75 114.94 112.46 3caw s ASN 102 Ca 0.28 0.55 -0.09 0.00 -0.94 0.00 0.00 52.86 52.67 3caw s ASN 102 Cb -0.08 -1.32 -0.05 0.00 -2.00 0.00 0.00 41.25 37.80 3caw s ASN 102 CO 0.18 -1.41 0.11 -0.47 -2.94 0.00 0.00 177.10 172.57 3caw s TYR 103 N -3.16 3.37 -0.40 1.54 5.04 -0.30 -4.73 117.35 118.71 3caw s TYR 103 Ca 0.58 0.26 -0.20 0.00 -2.44 0.00 0.00 57.07 55.26 3caw s TYR 103 Cb -0.11 -2.12 0.01 0.00 0.35 0.00 0.00 41.96 40.10 3caw s TYR 103 CO 0.45 0.27 0.61 -1.17 -1.34 0.00 0.00 175.55 174.37 3caw s LEU 104 N 0.29 4.41 -0.07 6.97 2.96 -1.26 -0.90 118.68 131.08 3caw s LEU 104 Ca 0.07 -0.15 -0.16 0.00 -0.22 0.00 0.00 54.13 53.67 3caw s LEU 104 Cb -0.11 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 3caw s LEU 104 CO -0.01 -0.66 0.42 -0.22 -1.32 0.00 0.00 176.35 174.56 3caw s LEU 105 N 2.69 4.37 0.01 -0.68 2.96 -0.84 -4.96 118.68 122.22 3caw s LEU 105 Ca 0.22 0.85 -0.05 0.00 -0.22 0.00 0.00 54.13 54.93 3caw s LEU 105 Cb -0.15 -2.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.89 3caw s LEU 105 CO 0.17 0.16 0.24 -0.55 -1.32 0.00 0.00 176.35 175.05 3caw s SER 106 N -0.19 6.45 0.03 3.68 0.15 -1.26 -4.55 113.70 118.01 3caw s SER 106 Ca 0.24 0.48 0.27 0.00 0.70 0.00 0.00 55.95 57.64 3caw s SER 106 Cb -0.16 -2.06 0.91 0.00 -1.71 0.00 0.00 66.02 63.01 3caw s SER 106 CO 0.11 0.24 1.72 1.41 1.20 0.00 0.00 173.24 177.92 3caw n HIS 107 N 0.98 0.13 0.83 3.44 8.25 -1.26 -3.11 115.22 124.48 3caw n HIS 107 Ca -0.10 0.04 0.10 0.00 -0.26 0.00 0.00 57.72 57.49 3caw n HIS 107 Cb 0.53 -0.48 0.29 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.62 0.38 -5.01 4.41 3.72 -1.26 -4.81 117.46 113.27 3caw n PHE 108 Ca 0.06 -0.19 -0.31 0.00 -0.05 0.00 0.00 57.45 56.96 3caw n PHE 108 Cb 0.35 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.73 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 -1.62 2.91 -0.00 -1.08 -0.21 -1.18 -5.11 119.66 113.37 3caw s GLN 109 Ca 0.33 -0.83 -0.28 0.00 0.02 0.00 0.00 55.36 54.61 3caw s GLN 109 Cb 0.18 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.91 3caw s GLN 109 CO 0.26 0.11 0.89 -0.51 -2.12 0.00 0.00 175.29 173.92 3caw s ASP 110 N 0.50 7.27 0.42 5.90 1.01 -1.26 -4.85 116.67 125.66 3caw s ASP 110 Ca -0.15 1.53 -0.24 0.00 0.71 0.00 0.00 52.55 54.40 3caw s ASP 110 Cb -0.17 -2.52 -0.08 0.00 1.01 0.00 0.00 42.92 41.15 3caw s ASP 110 CO 0.06 -0.18 1.11 -0.76 0.21 0.00 0.00 175.17 175.60 3caw s LEU 111 N 0.76 4.11 -0.02 1.23 1.02 -1.26 -5.04 118.68 119.48 3caw s LEU 111 Ca 0.47 2.18 0.04 0.00 0.02 0.00 0.00 54.13 56.84 3caw s LEU 111 Cb -0.20 -4.17 -0.03 0.00 0.02 0.00 0.00 46.19 41.81 3caw s LEU 111 CO 0.25 -0.66 -0.13 -0.54 0.02 0.00 0.00 176.35 175.29 3caw s LYS 112 N -2.52 2.43 0.26 1.70 -0.14 -1.26 -5.08 119.74 115.14 3caw s LYS 112 Ca 0.59 -0.75 -0.30 0.00 -1.36 0.00 0.00 55.97 54.15 3caw s LYS 112 Cb -0.26 -2.37 -0.14 0.00 -1.68 0.00 0.00 37.83 33.38 3caw s LYS 112 CO 0.32 0.60 1.26 -0.35 -0.76 0.00 0.00 175.35 176.42 3caw n PRO 113 N 2.00 1.76 0.00 -1.68 -0.04 -1.26 -1.63 135.00 134.15 3caw n PRO 113 Ca -0.17 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 3caw n PRO 113 Cb 0.52 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 3caw n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3caw n GLY 114 N 1.64 2.67 0.18 0.55 0.00 -1.26 -4.91 105.19 104.06 3caw n GLY 114 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.35 -0.84 1.61 3.57 -1.73 0.10 116.94 119.30 3caw h PHE 115 Ca 0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3caw h PHE 115 Cb 0.00 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3caw h PHE 115 CO 0.00 -0.17 0.42 -0.07 -2.23 0.00 0.00 178.31 176.26 3caw h LEU 116 N -0.45 1.08 -1.05 0.59 3.38 -1.91 -1.11 115.31 115.84 3caw h LEU 116 Ca -0.04 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3caw h LEU 116 Cb 0.34 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3caw h LEU 116 CO 0.06 0.89 0.64 -0.78 0.09 0.00 0.00 178.44 179.35 3caw h ASP 117 N 1.18 1.08 -0.61 -0.43 3.58 -1.87 -1.50 116.42 117.86 3caw h ASP 117 Ca 0.29 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.68 3caw h ASP 117 Cb 0.09 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 3caw h ASP 117 CO -0.04 0.76 0.22 1.23 -2.88 0.00 0.00 179.24 178.53 3caw h GLY 118 N 1.26 1.01 0.90 -0.78 0.00 0.42 -1.66 103.07 104.23 3caw h GLY 118 Ca 0.38 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3caw h GLY 118 CO -0.11 0.54 0.09 1.41 0.00 0.00 0.00 176.54 178.48 3caw h LEU 119 N 0.87 0.37 -0.78 3.11 3.38 -0.80 -2.40 115.31 119.05 3caw h LEU 119 Ca 0.20 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3caw h LEU 119 Cb 0.25 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 3caw h LEU 119 CO -0.01 0.46 0.43 0.50 0.09 0.00 0.00 178.44 179.90 3caw h LYS 120 N 0.27 0.70 0.00 1.13 3.64 -1.08 -0.38 116.57 120.84 3caw h LYS 120 Ca 0.09 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3caw h LYS 120 Cb 0.21 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3caw h LYS 120 CO -0.01 0.46 -0.21 -0.91 -2.27 0.00 0.00 179.45 176.52 3caw h ASN 121 N 0.72 0.00 -0.04 4.20 2.35 -1.02 -2.10 115.58 119.69 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 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3caw h ASN 121 CO -0.26 0.21 0.00 -0.62 -1.65 0.00 0.00 177.43 175.11 3caw n GLU 122 N -3.86 1.48 0.00 0.81 -0.58 -0.21 -4.91 120.64 113.37 3caw n GLU 122 Ca -0.02 -0.70 0.00 0.00 -0.42 0.00 0.00 57.16 56.02 3caw n GLU 122 Cb 0.30 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 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 1.10 1.58 3.77 0.62 0.00 -0.79 -4.33 105.19 107.13 3caw n GLY 123 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3caw n GLY 123 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3caw s TYR 124 N -2.04 2.85 -0.00 1.61 2.02 -0.85 -4.77 117.35 116.17 3caw s TYR 124 Ca 0.00 1.39 0.01 0.00 -0.37 0.00 0.00 57.07 58.10 3caw s TYR 124 Cb 0.00 -3.70 -0.01 0.00 -0.40 0.00 0.00 41.96 37.85 3caw s TYR 124 CO 0.00 -2.11 0.01 0.09 -1.57 0.00 0.00 175.55 171.96 3caw n ASN 125 N 0.30 4.84 -4.04 2.29 3.02 -1.26 -4.31 115.26 116.11 3caw n ASN 125 Ca 0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.49 3caw n ASN 125 Cb 0.43 0.71 -0.11 0.00 -0.61 0.00 0.00 39.78 40.21 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 -2.03 0.23 -0.05 3.41 -4.23 -1.26 -0.25 115.64 111.46 3caw s THR 126 Ca -0.00 -1.29 0.05 0.00 -1.18 0.00 0.00 61.69 59.26 3caw s THR 126 Cb 0.00 -0.81 -0.01 0.00 1.34 0.00 0.00 72.50 73.03 3caw s THR 126 CO 0.03 -0.68 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.54 3caw s VAL 127 N -2.41 1.65 -0.13 2.29 1.01 -0.16 -1.16 120.40 121.49 3caw s VAL 127 Ca -0.06 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 3caw s VAL 127 Cb -0.03 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3caw s VAL 127 CO -0.04 0.47 0.07 -0.75 0.00 0.00 0.00 175.10 174.84 3caw s LYS 128 N -0.07 3.51 -0.05 2.72 2.20 -0.08 -0.54 119.74 127.43 3caw s LYS 128 Ca -0.03 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 3caw s LYS 128 Cb -0.12 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 33.14 3caw s LYS 128 CO 0.02 0.56 -0.06 0.08 -0.36 0.00 0.00 175.35 175.60 3caw s VAL 129 N -0.45 0.64 0.04 4.02 1.01 -0.07 -1.98 120.40 123.61 3caw s VAL 129 Ca 0.10 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 3caw s VAL 129 Cb -0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3caw s VAL 129 CO 0.02 0.25 0.97 -0.75 0.00 0.00 0.00 175.10 175.59 3caw s LYS 130 N 0.90 4.61 0.08 2.72 2.20 -1.26 -1.59 119.74 127.39 3caw s LYS 130 Ca -0.11 1.42 0.08 0.00 -0.36 0.00 0.00 55.97 57.01 3caw s LYS 130 Cb -0.15 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 3caw s LYS 130 CO 0.01 0.05 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.20 3caw s MET 131 N 0.64 1.85 0.00 4.03 -1.94 0.65 -4.83 119.30 119.70 3caw s MET 131 Ca 0.50 -1.11 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 3caw s MET 131 Cb -0.22 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.52 3caw s MET 131 CO 0.29 0.50 0.00 0.41 -0.01 0.00 0.00 175.02 176.21 3caw n GLY 132 N 1.22 3.83 0.39 -0.03 0.00 -1.26 -4.31 105.19 105.03 3caw n GLY 132 Ca -0.16 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 3caw n GLY 132 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3caw h ARG 133 N 0.00 -0.93 -2.29 1.61 1.12 -1.99 -3.43 114.38 108.47 3caw h ARG 133 Ca 0.00 0.06 -0.30 0.00 -1.11 0.00 0.00 59.98 58.64 3caw h ARG 133 Cb 0.00 0.21 -0.34 0.00 -0.01 0.00 0.00 29.97 29.83 3caw h ARG 133 CO 0.00 -0.62 -0.61 0.34 -3.11 0.00 0.00 179.97 175.97 3caw s ASP 134 N -3.46 1.31 0.24 -3.80 -1.08 -1.26 -5.04 116.67 103.58 3caw s ASP 134 Ca -0.14 -0.34 -0.05 0.00 -0.52 0.00 0.00 52.55 51.49 3caw s ASP 134 Cb 0.02 0.54 0.41 0.00 -1.46 0.00 0.00 42.92 42.43 3caw s ASP 134 CO 0.43 -0.34 1.74 -0.07 0.52 0.00 0.00 175.17 177.45 3caw h LEU 135 N 8.27 0.30 0.55 -1.34 3.38 -1.98 -0.18 115.31 124.31 3caw h LEU 135 Ca -0.16 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3caw h LEU 135 Cb 1.12 0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.95 3caw h LEU 135 CO 0.30 0.13 -0.26 1.56 0.09 0.00 0.00 178.44 180.26 3caw h GLN 136 N 0.46 -0.71 -1.00 1.13 7.50 -1.97 1.09 115.11 121.60 3caw h GLN 136 Ca 0.39 0.05 0.22 0.00 0.50 0.00 0.00 58.65 59.81 3caw h GLN 136 Cb 0.55 0.16 -0.12 0.00 0.05 0.00 0.00 27.48 28.12 3caw h GLN 136 CO -0.37 -0.40 0.60 -0.22 -1.50 0.00 0.00 178.83 176.94 3caw h LYS 137 N -0.97 0.63 0.15 1.46 1.63 -1.94 -0.51 116.57 117.02 3caw h LYS 137 Ca -0.08 -0.04 -0.30 0.00 -0.85 0.00 0.00 60.65 59.39 3caw h LYS 137 Cb 0.63 -0.14 0.02 0.00 -0.60 0.00 0.00 32.23 32.15 3caw h LYS 137 CO 0.12 0.42 -1.28 0.93 -3.45 0.00 0.00 179.45 176.19 3caw h GLU 138 N 0.65 0.50 -0.84 1.90 5.08 -0.87 -3.22 114.58 117.78 3caw h GLU 138 Ca 0.62 -0.74 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3caw h GLU 138 Cb 1.10 0.26 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 3caw h GLU 138 CO -0.44 1.33 0.55 0.00 -1.00 0.00 0.00 179.01 179.46 3caw h ALA 139 N 0.37 1.48 0.00 3.43 0.00 0.28 -0.38 119.26 124.43 3caw h ALA 139 Ca -0.18 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3caw h ALA 139 Cb 1.97 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3caw h ALA 139 CO 0.23 0.44 -0.45 -0.44 0.00 0.00 0.00 179.25 179.03 3caw h ASP 140 N 1.05 0.00 -0.45 0.00 3.32 -1.35 -2.37 116.42 116.61 3caw h ASP 140 Ca 0.33 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.25 3caw h ASP 140 Cb 0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3caw h ASP 140 CO -0.10 0.45 -0.25 -0.03 -1.72 0.00 0.00 179.24 177.59 3caw h MET 141 N 0.00 0.97 -0.35 3.56 4.05 -1.12 -2.79 114.93 119.25 3caw h MET 141 Ca -0.00 -0.43 -0.04 0.00 -0.28 0.00 0.00 59.70 58.94 3caw h MET 141 Cb 0.81 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 3caw h MET 141 CO 0.06 1.10 0.05 -0.07 0.23 0.00 0.00 176.91 178.29 3caw h LEU 142 N 0.83 0.47 -0.65 3.39 3.38 -0.79 -1.66 115.31 120.28 3caw h LEU 142 Ca 0.10 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3caw h LEU 142 Cb 0.83 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3caw h LEU 142 CO 0.07 0.51 0.18 0.71 0.09 0.00 0.00 178.44 180.00 3caw h THR 143 N 0.50 1.25 -0.44 0.22 1.35 -1.18 0.21 112.91 114.82 3caw h THR 143 Ca 0.11 -0.89 -0.09 0.00 -0.55 0.00 0.00 66.41 64.99 3caw h THR 143 Cb 0.25 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.24 3caw h THR 143 CO 0.00 0.34 -0.11 0.45 -0.25 0.00 0.00 175.52 175.95 3caw h HIS 144 N 0.95 0.87 -0.21 4.73 3.86 -1.17 0.14 115.15 124.32 3caw h HIS 144 Ca 0.21 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3caw h HIS 144 Cb 0.32 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 3caw h HIS 144 CO 0.02 0.86 0.06 0.82 0.86 0.00 0.00 177.93 180.55 3caw h ILE 145 N 0.72 1.20 -0.79 2.45 2.04 -0.96 -2.70 117.51 119.47 3caw h ILE 145 Ca 0.12 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.38 3caw h ILE 145 Cb 0.59 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3caw h ILE 145 CO 0.04 0.20 0.52 0.00 0.00 0.00 0.00 178.15 178.90 3caw h ALA 146 N 0.88 1.02 -0.05 1.87 0.00 -0.65 -1.76 119.26 120.57 3caw h ALA 146 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3caw h ALA 146 Cb 0.25 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3caw h ALA 146 CO -0.00 0.38 0.05 0.00 0.00 0.00 0.00 179.25 179.68 3caw h ALA 147 N 1.31 1.76 -0.00 0.00 0.00 -0.50 0.14 119.26 121.97 3caw h ALA 147 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3caw h ALA 147 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3caw h ALA 147 CO -0.08 -0.08 -0.26 -1.13 0.00 0.00 0.00 179.25 177.70 3caw n SER 148 N -4.07 0.47 0.00 0.00 3.41 -0.68 -4.94 113.62 107.81 3caw n SER 148 Ca -0.02 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3caw n SER 148 Cb 0.14 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 1.42 0.51 3.89 5.00 0.00 0.50 -4.92 105.19 111.59 3caw n GLY 149 Ca 0.09 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.76 3.68 0.64 1.61 1.00 -1.16 -5.04 119.30 119.28 3caw s MET 150 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 55.69 55.63 3caw s MET 150 Cb 0.00 -2.73 -0.02 0.00 0.00 0.00 0.00 34.83 32.08 3caw s MET 150 CO 0.00 0.36 1.04 1.03 0.00 0.00 0.00 175.02 177.45 3caw s ARG 151 N -2.93 3.33 0.02 2.03 0.52 0.66 -4.45 118.95 118.12 3caw s ARG 151 Ca 0.44 0.62 0.00 0.00 -0.52 0.00 0.00 55.73 56.27 3caw s ARG 151 Cb -0.11 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.26 3caw s ARG 151 CO 0.25 -0.72 -0.03 0.00 0.02 0.00 0.00 175.30 174.81 3caw s MET 152 N -5.22 0.31 -0.17 3.54 0.23 0.41 -0.99 119.30 117.41 3caw s MET 152 Ca 0.56 -0.59 0.00 0.00 -1.03 0.00 0.00 55.69 54.63 3caw s MET 152 Cb -0.11 0.10 0.01 0.00 -1.53 0.00 0.00 34.83 33.29 3caw s MET 152 CO 0.53 -0.05 -0.17 1.03 -2.03 0.00 0.00 175.02 174.33 3caw s ARG 153 N -1.42 3.11 -0.20 3.16 0.52 0.30 -1.01 118.95 123.41 3caw s ARG 153 Ca -0.15 -0.79 -0.08 0.00 -0.52 0.00 0.00 55.73 54.19 3caw s ARG 153 Cb -0.10 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 3caw s ARG 153 CO -0.01 -0.10 0.08 -0.51 0.02 0.00 0.00 175.30 174.77 3caw s LEU 154 N 1.08 3.81 -0.30 2.53 1.02 -0.85 -0.89 118.68 125.09 3caw s LEU 154 Ca -0.00 0.05 -0.00 0.00 0.02 0.00 0.00 54.13 54.20 3caw s LEU 154 Cb -0.14 -1.98 0.06 0.00 0.02 0.00 0.00 46.19 44.14 3caw s LEU 154 CO -0.06 0.13 -0.02 -0.62 0.02 0.00 0.00 176.35 175.81 3caw s ASP 155 N 0.62 4.78 0.00 2.29 -1.08 -0.62 0.70 116.67 123.36 3caw s ASP 155 Ca 0.04 -1.39 0.26 0.00 -0.52 0.00 0.00 52.55 50.94 3caw s ASP 155 Cb -0.13 -1.67 0.67 0.00 -1.46 0.00 0.00 42.92 40.33 3caw s ASP 155 CO 0.01 -0.26 1.52 0.49 0.52 0.00 0.00 175.17 177.45 3caw n PHE 156 N 4.55 0.00 -2.51 -5.34 3.72 -0.90 -0.25 117.46 116.73 3caw n PHE 156 Ca -0.12 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.16 3caw n PHE 156 Cb 0.43 -0.22 -0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 -3.73 -2.37 4.37 3.02 -1.20 -1.50 115.26 112.63 3caw n ASN 157 Ca 0.08 0.17 -0.21 0.00 -0.03 0.00 0.00 54.58 54.59 3caw n ASN 157 Cb 0.34 -3.17 -0.01 0.00 -0.61 0.00 0.00 39.78 36.32 3caw n ASN 157 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3caw n ALA 158 N -2.33 -0.61 0.09 5.41 0.00 0.28 -4.89 120.51 118.45 3caw n ALA 158 Ca -0.13 0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.60 3caw n ALA 158 Cb 0.60 -2.19 -0.06 0.00 0.00 0.00 0.00 19.45 17.79 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 -2.99 0.52 0.00 0.00 4.77 -0.56 -3.57 117.00 115.16 3caw n LEU 159 Ca -0.25 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3caw n LEU 159 Cb 0.69 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3caw n LEU 159 CO 0.29 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3caw n GLY 160 N 1.22 -0.61 3.37 -0.72 0.00 -1.23 -4.98 105.19 102.23 3caw n GLY 160 Ca -0.01 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 3caw n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3caw s SER 161 N -1.35 -0.40 0.26 1.61 0.01 -1.26 -4.60 113.70 107.98 3caw s SER 161 Ca 0.00 -0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.19 3caw s SER 161 Cb 0.00 0.51 0.55 0.00 0.21 0.00 0.00 66.02 67.30 3caw s SER 161 CO 0.00 -0.84 1.72 -0.25 0.41 0.00 0.00 173.24 174.28 3caw h TRP 162 N 2.42 0.58 0.09 2.43 7.01 -1.95 0.17 115.95 126.70 3caw h TRP 162 Ca -0.33 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 60.70 3caw h TRP 162 Cb 1.26 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 28.18 3caw h TRP 162 CO 0.31 0.04 -0.04 1.96 -2.79 0.00 0.00 178.44 177.92 3caw h GLN 163 N 0.45 -0.12 -0.06 2.65 4.20 -2.00 -2.65 115.11 117.58 3caw h GLN 163 Ca 0.47 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.20 3caw h GLN 163 Cb 0.77 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 3caw h GLN 163 CO -0.44 0.41 0.06 1.79 -0.67 0.00 0.00 178.83 179.98 3caw h THR 164 N -0.82 0.65 0.21 -0.54 1.35 -1.87 -2.53 112.91 109.36 3caw h THR 164 Ca -0.01 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 65.53 3caw h THR 164 Cb 0.58 0.95 0.03 0.00 -1.73 0.00 0.00 68.15 67.98 3caw h THR 164 CO 0.02 0.00 -1.39 0.15 -0.25 0.00 0.00 175.52 174.05 3caw h PHE 165 N 0.00 0.80 -0.46 4.73 3.57 -0.69 -3.30 116.94 121.58 3caw h PHE 165 Ca 0.03 -0.58 -0.09 0.00 3.53 0.00 0.00 57.97 60.86 3caw h PHE 165 Cb 0.15 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3caw h PHE 165 CO 0.00 1.46 -0.06 1.49 -2.23 0.00 0.00 178.31 178.96 3caw h GLU 166 N 0.12 0.86 -0.72 1.11 4.81 -1.07 -2.92 114.58 116.77 3caw h GLU 166 Ca -0.21 -0.31 0.08 0.00 -0.13 0.00 0.00 59.36 58.79 3caw h GLU 166 Cb 2.10 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 31.35 3caw h GLU 166 CO 0.25 0.94 0.39 0.87 -0.73 0.00 0.00 179.01 180.73 3caw h LYS 167 N 0.71 0.67 0.70 1.92 1.57 -1.65 -3.11 116.57 117.38 3caw h LYS 167 Ca 0.12 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3caw h LYS 167 Cb 0.59 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3caw h LYS 167 CO 0.04 0.44 -0.37 0.35 -0.57 0.00 0.00 179.45 179.33 3caw h PHE 168 N 0.69 -0.98 -0.79 -1.35 3.57 -1.60 -3.28 116.94 113.20 3caw h PHE 168 Ca 0.33 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 62.00 3caw h PHE 168 Cb 0.27 0.34 -0.12 0.00 2.79 0.00 0.00 35.95 39.23 3caw h PHE 168 CO -0.08 -0.58 0.21 0.52 -2.23 0.00 0.00 178.31 176.15 3caw h MET 169 N -0.99 0.27 0.00 1.11 2.86 -1.45 -1.65 114.93 115.07 3caw h MET 169 Ca -0.10 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 3caw h MET 169 Cb 0.77 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3caw h MET 169 CO 0.13 0.18 -0.19 0.28 1.06 0.00 0.00 176.91 178.37 3caw h VAL 170 N 0.28 0.85 0.00 -2.22 2.07 -1.63 -2.89 116.25 112.70 3caw h VAL 170 Ca 0.46 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 3caw h VAL 170 Cb 0.82 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3caw h VAL 170 CO -0.54 0.19 -0.37 0.78 0.02 0.00 0.00 177.57 177.65 3caw h ASN 171 N 0.00 0.00 -2.72 0.57 -0.26 -1.35 -3.46 115.58 108.36 3caw h ASN 171 Ca -0.00 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 55.18 3caw h ASN 171 Cb 0.41 0.00 0.07 0.00 -1.06 0.00 0.00 38.32 37.75 3caw h ASN 171 CO 0.02 0.37 0.80 0.18 -1.06 0.00 0.00 177.43 177.74 3caw n LEU 172 N -3.29 3.58 -4.42 1.61 7.99 -1.10 -4.93 117.00 116.44 3caw n LEU 172 Ca 0.01 1.11 -0.35 0.00 -0.01 0.00 0.00 56.01 56.78 3caw n LEU 172 Cb 0.61 -1.50 0.08 0.00 -0.11 0.00 0.00 43.42 42.51 3caw n LEU 172 CO 0.38 -0.16 -0.06 -2.65 -1.51 0.00 0.00 177.39 173.39 3caw n PRO 173 N 2.76 0.08 0.12 3.23 -0.02 -1.26 -4.55 135.00 135.37 3caw n PRO 173 Ca 0.13 0.07 0.10 0.00 -2.02 0.00 0.00 63.50 61.78 3caw n PRO 173 Cb 0.33 -1.79 0.47 0.00 -0.02 0.00 0.00 33.50 32.48 3caw n PRO 173 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3caw n LEU 174 N -0.44 0.48 0.02 2.45 4.77 -1.26 -1.29 117.00 121.74 3caw n LEU 174 Ca 0.08 0.68 -0.14 0.00 -0.03 0.00 0.00 56.01 56.61 3caw n LEU 174 Cb 0.51 -0.69 -0.14 0.00 -2.33 0.00 0.00 43.42 40.77 3caw n LEU 174 CO 0.51 -0.73 -0.44 0.71 -1.33 0.00 0.00 177.39 176.10 3caw h THR 175 N 0.00 1.00 0.14 -5.08 1.35 -1.99 -3.39 112.91 104.94 3caw h THR 175 Ca 0.00 -2.74 -0.01 0.00 -0.55 0.00 0.00 66.41 63.11 3caw h THR 175 Cb 0.12 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 3caw h THR 175 CO 0.00 0.72 -0.07 0.58 -0.25 0.00 0.00 175.52 176.51 3caw h VAL 176 N 0.04 0.18 -0.70 6.82 2.07 -1.51 -3.36 116.25 119.79 3caw h VAL 176 Ca -0.27 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.36 3caw h VAL 176 Cb 1.99 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 31.99 3caw h VAL 176 CO 0.11 0.05 -0.37 0.54 0.02 0.00 0.00 177.57 177.93 3caw n ARG 177 N -4.90 -0.26 0.00 1.57 5.12 -0.67 0.18 116.66 117.70 3caw n ARG 177 Ca -0.03 1.06 0.06 0.00 -1.93 0.00 0.00 57.85 57.00 3caw n ARG 177 Cb 0.12 -1.56 0.27 0.00 -1.16 0.00 0.00 32.46 30.12 3caw n ARG 177 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3caw n PRO 178 N -4.92 0.09 0.00 5.56 -0.04 -1.26 -2.17 135.00 132.27 3caw n PRO 178 Ca 0.03 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 3caw n PRO 178 Cb 0.21 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.24 3caw n PRO 178 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3caw n LEU 179 N -1.38 1.84 -4.56 1.53 4.77 0.48 -4.84 117.00 114.84 3caw n LEU 179 Ca 0.04 -0.66 -0.43 0.00 -0.03 0.00 0.00 56.01 54.93 3caw n LEU 179 Cb 0.11 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3caw n LEU 179 CO 0.09 0.34 0.83 -0.63 -1.33 0.00 0.00 177.39 176.69 3caw s ILE 180 N -2.48 4.35 0.06 -0.08 1.01 -0.92 -0.44 121.20 122.70 3caw s ILE 180 Ca 0.20 0.66 -0.23 0.00 0.00 0.00 0.00 60.65 61.28 3caw s ILE 180 Cb 0.18 -4.53 -0.14 0.00 0.01 0.00 0.00 42.46 37.98 3caw s ILE 180 CO 0.56 -1.02 1.57 -0.08 0.00 0.00 0.00 174.94 175.97 3caw h GLU 181 N 9.24 0.12 -1.96 2.79 4.81 -1.40 -3.45 114.58 124.73 3caw h GLU 181 Ca -0.25 -0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.18 3caw h GLU 181 Cb 1.07 -0.02 -0.11 0.00 0.63 0.00 0.00 28.75 30.32 3caw h GLU 181 CO 1.08 0.28 0.63 1.52 -0.73 0.00 0.00 179.01 181.79 3caw s TYR 182 N -5.41 -0.13 -0.13 0.92 -0.85 -1.25 -4.48 117.35 106.02 3caw s TYR 182 Ca -0.14 -0.06 0.02 0.00 -0.52 0.00 0.00 57.07 56.36 3caw s TYR 182 Cb 0.05 0.58 -0.00 0.00 0.38 0.00 0.00 41.96 42.98 3caw s TYR 182 CO 0.68 -0.55 -0.19 0.08 -1.52 0.00 0.00 175.55 174.06 3caw s VAL 183 N -2.90 2.46 -0.04 -3.49 1.01 -0.18 -2.01 120.40 115.26 3caw s VAL 183 Ca 0.12 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 3caw s VAL 183 Cb 0.01 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3caw s VAL 183 CO -0.02 0.54 0.50 -1.61 0.00 0.00 0.00 175.10 174.51 3caw s GLU 184 N 0.55 4.22 -0.47 2.72 2.02 0.22 0.06 118.70 128.01 3caw s GLU 184 Ca -0.11 0.54 -0.06 0.00 0.02 0.00 0.00 54.97 55.36 3caw s GLU 184 Cb -0.16 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.74 3caw s GLU 184 CO 0.04 0.39 0.39 -0.25 0.02 0.00 0.00 175.26 175.86 3caw n ASP 185 N 2.77 -3.13 0.27 -0.19 8.00 -0.56 -2.12 116.55 121.58 3caw n ASP 185 Ca -0.09 -0.51 0.11 0.00 0.71 0.00 0.00 54.79 55.00 3caw n ASP 185 Cb 0.52 -1.01 0.74 0.00 -0.02 0.00 0.00 41.12 41.34 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 0.43 0.00 -1.77 -0.24 0.13 -1.86 0.83 132.00 129.52 3caw h PRO 186 Ca -0.40 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 64.99 3caw h PRO 186 Cb 0.90 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.92 3caw h PRO 186 CO 0.22 0.03 0.70 -0.59 -0.23 0.00 0.00 178.00 178.13 3caw s PHE 187 N -4.80 -0.09 0.17 1.56 -0.12 -1.26 -3.54 117.98 109.90 3caw s PHE 187 Ca -0.05 -0.08 -0.31 0.00 -0.05 0.00 0.00 56.93 56.44 3caw s PHE 187 Cb 0.16 0.57 -0.17 0.00 -0.63 0.00 0.00 43.02 42.96 3caw s PHE 187 CO 0.62 -0.46 0.90 -2.30 -0.05 0.00 0.00 175.22 173.93 3caw n PRO 188 N -0.45 0.61 -1.69 1.99 -0.02 -1.23 -4.74 135.00 129.47 3caw n PRO 188 Ca -0.07 0.22 -0.44 0.00 -2.02 0.00 0.00 63.50 61.18 3caw n PRO 188 Cb 0.62 -1.52 -0.03 0.00 -0.02 0.00 0.00 33.50 32.55 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 0.76 2.39 -3.66 6.00 7.35 -1.26 -4.95 117.46 124.10 3caw n PHE 189 Ca 0.16 0.32 -0.06 0.00 -0.76 0.00 0.00 57.45 57.11 3caw n PHE 189 Cb 0.23 -2.53 -0.07 0.00 0.35 0.00 0.00 39.48 37.46 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 0.54 -0.79 0.13 -2.13 2.15 -1.26 -5.06 116.67 110.25 3caw s ASP 190 Ca 0.70 1.32 -0.25 0.00 0.43 0.00 0.00 52.55 54.75 3caw s ASP 190 Cb -0.61 1.54 -0.03 0.00 -0.30 0.00 0.00 42.92 43.52 3caw s ASP 190 CO 0.45 -0.22 1.64 0.15 -0.17 0.00 0.00 175.17 177.02 3caw h PHE 191 N 7.55 -0.65 0.02 -5.34 3.57 -1.97 -0.41 116.94 119.70 3caw h PHE 191 Ca -0.25 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 3caw h PHE 191 Cb 1.16 0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.20 3caw h PHE 191 CO 0.16 -0.33 -0.01 1.25 -2.23 0.00 0.00 178.31 177.16 3caw h HIS 192 N -0.35 -0.02 -0.58 0.41 2.76 -1.98 -0.78 115.15 114.61 3caw h HIS 192 Ca 0.08 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.32 3caw h HIS 192 Cb 0.46 0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.37 3caw h HIS 192 CO -0.31 0.25 0.27 0.00 -1.30 0.00 0.00 177.93 176.84 3caw h ALA 193 N 0.69 0.76 -0.37 5.26 0.00 -1.96 -0.84 119.26 122.80 3caw h ALA 193 Ca -0.00 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3caw h ALA 193 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3caw h ALA 193 CO 0.00 -0.10 -0.24 -1.49 0.00 0.00 0.00 179.25 177.41 3caw h TRP 194 N 0.50 0.95 -0.88 0.00 4.06 -1.06 -0.94 115.95 118.58 3caw h TRP 194 Ca 0.27 -0.26 0.05 0.00 2.06 0.00 0.00 58.89 61.02 3caw h TRP 194 Cb 0.25 -0.21 -0.06 0.00 -1.00 0.00 0.00 29.16 28.14 3caw h TRP 194 CO -0.12 1.02 0.55 0.78 -3.56 0.00 0.00 178.44 177.12 3caw h GLY 195 N 0.61 1.31 1.97 1.49 0.00 -0.59 -1.83 103.07 106.03 3caw h GLY 195 Ca 0.07 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.83 3caw h GLY 195 CO 0.07 0.30 -0.76 0.83 0.00 0.00 0.00 176.54 176.98 3caw h GLU 196 N 1.03 0.03 0.00 4.80 4.39 -1.07 -3.02 114.58 120.74 3caw h GLU 196 Ca 0.37 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.01 3caw h GLU 196 Cb 0.12 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3caw h GLU 196 CO -0.15 0.78 -0.16 0.00 -1.16 0.00 0.00 179.01 178.31 3caw h ALA 197 N 1.21 1.55 0.00 3.43 0.00 -0.37 -1.83 119.26 123.25 3caw h ALA 197 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3caw h ALA 197 Cb 1.35 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3caw h ALA 197 CO 0.10 0.20 -0.00 0.00 0.00 0.00 0.00 179.25 179.55 3caw h ARG 198 N 0.00 0.00 0.00 0.00 3.08 -1.25 -0.86 114.38 115.34 3caw h ARG 198 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3caw h ARG 198 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3caw h ARG 198 CO 0.02 0.00 -0.42 0.87 -1.07 0.00 0.00 179.97 179.37 3caw h LYS 199 N 0.00 0.00 0.00 0.04 1.57 -1.50 -3.15 116.57 113.53 3caw h LYS 199 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3caw h LYS 199 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3caw h LYS 199 CO 0.00 0.42 -1.28 -0.07 -0.57 0.00 0.00 179.45 177.94 3caw h LEU 200 N 0.00 0.00 -7.03 2.94 3.38 -1.32 -3.49 115.31 109.80 3caw h LEU 200 Ca -0.00 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.27 3caw h LEU 200 Cb 0.79 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.36 3caw h LEU 200 CO 0.05 0.78 0.89 0.00 0.09 0.00 0.00 178.44 180.25 3caw s ALA 201 N -2.79 -2.17 0.36 1.53 0.00 -1.14 -5.00 121.76 112.55 3caw s ALA 201 Ca -0.02 1.58 -0.27 0.00 0.00 0.00 0.00 51.96 53.25 3caw s ALA 201 Cb 0.09 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.97 3caw s ALA 201 CO 0.81 -0.66 1.25 0.15 0.00 0.00 0.00 175.76 177.31 3caw s LYS 202 N -2.25 4.20 -0.10 0.00 1.02 -1.26 -4.07 119.74 117.28 3caw s LYS 202 Ca 0.11 2.06 0.01 0.00 0.02 0.00 0.00 55.97 58.17 3caw s LYS 202 Cb 0.00 -2.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 3caw s LYS 202 CO -0.04 -0.26 -0.12 0.42 -0.92 0.00 0.00 175.35 174.43 3caw s ILE 203 N -1.24 3.18 -0.10 2.17 -1.09 -1.26 -1.00 121.20 121.85 3caw s ILE 203 Ca 0.53 -0.64 -0.02 0.00 -2.23 0.00 0.00 60.65 58.28 3caw s ILE 203 Cb -0.36 -2.31 -0.03 0.00 -1.58 0.00 0.00 42.46 38.18 3caw s ILE 203 CO 0.47 0.55 -0.02 0.00 -1.23 0.00 0.00 174.94 174.71 3caw s ALA 204 N -0.13 3.15 -0.33 9.38 0.00 0.11 -0.53 121.76 133.40 3caw s ALA 204 Ca -0.01 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 51.00 3caw s ALA 204 Cb -0.13 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 3caw s ALA 204 CO 0.03 0.47 0.23 -1.17 0.00 0.00 0.00 175.76 175.33 3caw s LEU 205 N -0.50 4.46 0.00 0.00 1.98 0.16 -1.50 118.68 123.28 3caw s LEU 205 Ca 0.08 -0.38 0.00 0.00 -2.89 0.00 0.00 54.13 50.95 3caw s LEU 205 Cb -0.12 -2.14 0.00 0.00 0.66 0.00 0.00 46.19 44.59 3caw s LEU 205 CO 0.02 -0.21 0.00 -0.67 -1.89 0.00 0.00 176.35 173.60 3caw n ASP 206 N 5.10 0.00 0.11 3.68 2.03 -1.26 -1.01 116.55 125.20 3caw n ASP 206 Ca -0.13 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.30 3caw n ASP 206 Cb 0.50 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 41.36 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 -0.05 0.61 -0.90 1.67 0.23 -1.26 -2.34 115.26 113.22 3caw n ASN 207 Ca 0.00 0.63 0.09 0.00 -0.53 0.00 0.00 54.58 54.77 3caw n ASN 207 Cb 0.00 -0.77 0.24 0.00 -2.08 0.00 0.00 39.78 37.17 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 -2.16 2.14 -0.23 -3.83 1.13 -1.26 -4.49 117.38 108.68 3caw n GLN 208 Ca 0.03 -1.76 0.03 0.00 -1.94 0.00 0.00 57.00 53.35 3caw n GLN 208 Cb 0.25 -1.40 0.12 0.00 0.11 0.00 0.00 30.24 29.33 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 2.98 -0.07 0.00 1.08 3.20 -1.78 -0.75 116.97 121.63 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 0.68 0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.09 3caw h TYR 209 CO 0.30 -0.21 0.00 -0.25 -1.64 0.00 0.00 178.16 176.36 3caw n ASP 210 N -5.33 0.00 -0.22 -2.11 8.00 -1.26 -2.64 116.55 112.99 3caw n ASP 210 Ca 0.11 -0.64 0.12 0.00 0.71 0.00 0.00 54.79 55.09 3caw n ASP 210 Cb 0.41 -0.01 0.18 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.01 0.63 -3.10 -1.24 4.76 -0.29 -4.88 118.16 113.03 3caw n LYS 211 Ca 0.16 -0.44 -0.40 0.00 -2.87 0.00 0.00 58.31 54.75 3caw n LYS 211 Cb 0.08 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.72 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 -2.67 4.99 -1.30 -0.18 1.01 -1.08 -4.98 120.40 116.19 3caw s VAL 212 Ca 0.18 1.17 -0.18 0.00 0.00 0.00 0.00 61.98 63.14 3caw s VAL 212 Cb 0.18 -3.94 0.07 0.00 0.00 0.00 0.00 36.38 32.69 3caw s VAL 212 CO 0.62 0.05 1.74 -0.81 0.00 0.00 0.00 175.10 176.70 3caw n PRO 213 N 5.50 3.20 -0.11 2.72 -0.04 -1.26 -4.88 135.00 140.12 3caw n PRO 213 Ca -0.01 -3.29 -0.06 0.00 -0.04 0.00 0.00 63.50 60.11 3caw n PRO 213 Cb 0.49 -3.49 -0.05 0.00 -0.04 0.00 0.00 33.50 30.42 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 7.55 -0.83 0.00 0.54 4.06 -1.95 -1.26 115.95 124.07 3caw h TRP 214 Ca 0.45 0.05 0.00 0.00 2.06 0.00 0.00 58.89 61.44 3caw h TRP 214 Cb 0.87 0.40 0.00 0.00 -1.00 0.00 0.00 29.16 29.43 3caw h TRP 214 CO 1.42 -0.21 0.00 0.41 -3.56 0.00 0.00 178.44 176.51 3caw n GLY 215 N -1.15 0.86 0.00 1.49 0.00 -1.26 -3.11 105.19 102.02 3caw n GLY 215 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.09 2.41 -2.76 1.61 4.81 -0.52 -5.07 118.16 118.73 3caw n LYS 216 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 3caw n LYS 216 Cb 0.16 -0.75 -0.06 0.00 0.02 0.00 0.00 35.03 34.39 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 -1.27 4.15 -0.19 3.15 -4.36 -0.94 -4.96 121.20 116.78 3caw s ILE 217 Ca 0.00 1.88 0.16 0.00 -0.26 0.00 0.00 60.65 62.44 3caw s ILE 217 Cb 0.00 -4.09 0.08 0.00 1.25 0.00 0.00 42.46 39.70 3caw s ILE 217 CO 0.00 0.24 1.41 0.00 0.24 0.00 0.00 174.94 176.84 3caw h ALA 218 N 3.45 0.70 -2.93 2.27 0.00 -1.94 -3.47 119.26 117.34 3caw h ALA 218 Ca -0.46 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3caw h ALA 218 Cb 1.19 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3caw h ALA 218 CO 0.66 0.57 0.07 -1.54 0.00 0.00 0.00 179.25 179.01 3caw s SER 219 N -6.37 -0.14 -0.36 0.00 1.04 -1.26 -5.14 113.70 101.47 3caw s SER 219 Ca 0.04 -0.80 -0.13 0.00 0.48 0.00 0.00 55.95 55.54 3caw s SER 219 Cb 0.07 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3caw s SER 219 CO 0.74 -1.28 0.25 0.00 0.98 0.00 0.00 173.24 173.93 3caw s ALA 220 N -3.85 3.45 -0.06 5.32 0.00 -1.26 -4.97 121.76 120.39 3caw s ALA 220 Ca 0.17 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 3caw s ALA 220 Cb -0.04 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 3caw s ALA 220 CO 0.08 -1.18 2.32 -0.35 0.00 0.00 0.00 175.76 176.63 3caw n PRO 221 N 5.10 1.33 -3.47 0.00 -0.04 -1.26 -4.77 135.00 131.89 3caw n PRO 221 Ca -0.12 -0.45 -0.12 0.00 -0.04 0.00 0.00 63.50 62.77 3caw n PRO 221 Cb 0.48 -1.29 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.11 -0.48 -0.09 0.54 -0.12 -1.26 -4.09 117.98 112.36 3caw s PHE 222 Ca 0.18 0.24 0.17 0.00 -0.05 0.00 0.00 56.93 57.46 3caw s PHE 222 Cb 0.10 0.52 -0.24 0.00 -0.63 0.00 0.00 43.02 42.77 3caw s PHE 222 CO -0.01 -0.85 0.23 -0.25 -0.05 0.00 0.00 175.22 174.30 3caw n ASP 223 N -0.36 0.88 -3.94 1.98 8.00 0.31 -4.96 116.55 118.46 3caw n ASP 223 Ca -0.16 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.18 3caw n ASP 223 Cb 0.65 1.38 -0.14 0.00 -0.02 0.00 0.00 41.12 42.98 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 -2.84 0.34 -0.20 2.53 1.01 -0.63 -2.66 120.40 117.95 3caw s VAL 224 Ca -0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 3caw s VAL 224 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 3caw s VAL 224 CO 0.72 0.10 -0.01 -0.63 0.00 0.00 0.00 175.10 175.28 3caw s ILE 225 N -0.07 3.86 -0.21 2.22 1.01 -0.41 0.40 121.20 128.00 3caw s ILE 225 Ca 0.01 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 3caw s ILE 225 Cb -0.02 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 3caw s ILE 225 CO -0.00 0.43 0.51 -0.69 0.00 0.00 0.00 174.94 175.19 3caw s VAL 226 N 0.99 5.11 -0.22 2.92 1.01 -0.18 -1.97 120.40 128.06 3caw s VAL 226 Ca 0.01 0.93 -0.06 0.00 0.00 0.00 0.00 61.98 62.86 3caw s VAL 226 Cb -0.14 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3caw s VAL 226 CO 0.01 0.17 0.04 -0.63 0.00 0.00 0.00 175.10 174.69 3caw s ILE 227 N 1.68 4.21 -0.39 2.22 1.01 0.50 -4.77 121.20 125.66 3caw s ILE 227 Ca 0.23 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 3caw s ILE 227 Cb -0.15 -2.93 0.09 0.00 0.01 0.00 0.00 42.46 39.47 3caw s ILE 227 CO 0.09 0.39 0.19 -0.54 0.00 0.00 0.00 174.94 175.08 3caw s LYS 228 N 1.18 2.33 0.59 2.79 1.02 -1.26 -1.79 119.74 124.60 3caw s LYS 228 Ca 0.04 -1.58 0.29 0.00 0.02 0.00 0.00 55.97 54.74 3caw s LYS 228 Cb -0.14 -3.60 1.43 0.00 -0.52 0.00 0.00 37.83 35.00 3caw s LYS 228 CO 0.02 -0.95 1.84 -1.35 -0.92 0.00 0.00 175.35 174.00 3caw h PRO 229 N 8.19 0.00 0.00 -1.68 0.11 -1.84 0.55 132.00 137.33 3caw h PRO 229 Ca -0.19 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.88 3caw h PRO 229 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3caw h PRO 229 CO 0.70 0.00 -0.23 0.00 -0.21 0.00 0.00 178.00 178.26 3caw h ALA 230 N 1.37 1.17 0.00 -0.75 0.00 -1.93 -3.38 119.26 115.74 3caw h ALA 230 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3caw h ALA 230 Cb 1.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3caw h ALA 230 CO -0.00 0.28 0.00 0.36 0.00 0.00 0.00 179.25 179.89 3caw n LYS 231 N -3.61 0.00 -3.81 0.00 2.85 0.26 -4.49 118.16 109.36 3caw n LYS 231 Ca -0.01 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.89 3caw n LYS 231 Cb 0.36 -0.28 -0.06 0.00 -0.65 0.00 0.00 35.03 34.40 3caw n LYS 231 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3caw s THR 232 N 0.00 5.38 -0.72 0.58 2.01 0.17 -4.53 115.64 118.54 3caw s THR 232 Ca 0.00 0.20 -0.27 0.00 0.31 0.00 0.00 61.69 61.93 3caw s THR 232 Cb 0.00 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 69.03 3caw s THR 232 CO 0.00 0.49 1.35 -0.62 -0.69 0.00 0.00 174.62 175.15 3caw s ASP 233 N -1.39 6.05 0.12 3.53 -1.08 -1.26 -4.70 116.67 117.94 3caw s ASP 233 Ca 0.22 -0.32 -0.28 0.00 -0.52 0.00 0.00 52.55 51.64 3caw s ASP 233 Cb -0.13 -2.56 -0.08 0.00 -1.46 0.00 0.00 42.92 38.70 3caw s ASP 233 CO 0.11 -1.90 1.61 0.58 0.52 0.00 0.00 175.17 176.10 3caw h VAL 234 N 6.15 0.29 -0.75 1.11 2.07 -1.94 -1.34 116.25 121.84 3caw h VAL 234 Ca -0.28 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.34 3caw h VAL 234 Cb 1.07 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 3caw h VAL 234 CO 1.27 0.00 0.39 0.44 0.02 0.00 0.00 177.57 179.68 3caw h ASP 235 N -0.53 0.51 -0.60 0.57 3.32 -1.99 0.25 116.42 117.94 3caw h ASP 235 Ca 0.04 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3caw h ASP 235 Cb 0.58 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 3caw h ASP 235 CO -0.22 0.28 0.28 0.50 -1.72 0.00 0.00 179.24 178.36 3caw h LYS 236 N 0.64 0.87 -0.37 3.56 3.64 -1.90 -1.28 116.57 121.73 3caw h LYS 236 Ca 0.37 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 3caw h LYS 236 Cb 0.39 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3caw h LYS 236 CO -0.27 0.72 0.06 0.00 -2.27 0.00 0.00 179.45 177.68 3caw h ALA 237 N 1.11 0.49 -0.81 5.00 0.00 -0.31 -2.35 119.26 122.39 3caw h ALA 237 Ca 0.20 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3caw h ALA 237 Cb 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3caw h ALA 237 CO -0.02 0.19 0.53 0.28 0.00 0.00 0.00 179.25 180.23 3caw h VAL 238 N 0.45 1.18 -0.81 0.00 2.07 -0.81 -1.13 116.25 117.19 3caw h VAL 238 Ca 0.11 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3caw h VAL 238 Cb 0.36 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 3caw h VAL 238 CO 0.01 0.20 0.42 0.00 0.02 0.00 0.00 177.57 178.21 3caw h ALA 239 N 1.31 1.05 -0.24 1.67 0.00 -1.04 -0.79 119.26 121.22 3caw h ALA 239 Ca 0.31 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3caw h ALA 239 Cb -0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3caw h ALA 239 CO -0.08 0.59 -0.47 1.96 0.00 0.00 0.00 179.25 181.25 3caw h GLN 240 N 1.15 0.63 -0.48 0.00 4.20 -1.08 -0.61 115.11 118.92 3caw h GLN 240 Ca 0.28 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 3caw h GLN 240 Cb 0.08 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3caw h GLN 240 CO -0.04 0.96 0.00 0.00 -0.67 0.00 0.00 178.83 179.08 3caw h GLN 242 N 0.75 0.80 -0.87 0.00 4.20 -0.98 0.13 115.11 119.14 3caw h GLN 242 Ca 0.15 -0.63 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 3caw h GLN 242 Cb 0.46 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 3caw h GLN 242 CO 0.02 1.24 0.52 -0.22 -0.67 0.00 0.00 178.83 179.71 3caw h LYS 243 N 0.56 1.19 -0.48 1.46 3.64 -0.84 -2.93 116.57 119.17 3caw h LYS 243 Ca -0.04 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3caw h LYS 243 Cb 1.36 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3caw h LYS 243 CO 0.15 0.84 0.00 0.91 -2.27 0.00 0.00 179.45 179.08 3caw n TRP 244 N -4.40 1.09 -3.81 1.91 7.02 -0.68 -4.98 117.44 113.58 3caw n TRP 244 Ca 0.09 -0.64 -0.31 0.00 -1.02 0.00 0.00 57.50 55.62 3caw n TRP 244 Cb 0.06 -0.20 0.02 0.00 -2.42 0.00 0.00 31.31 28.77 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 0.58 -3.35 -1.32 -0.99 5.15 -0.53 -4.97 115.26 109.83 3caw n ASN 245 Ca 0.21 -1.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 3caw n ASN 245 Cb 0.77 -3.12 0.00 0.00 -0.53 0.00 0.00 39.78 36.90 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 -4.35 0.00 -4.30 1.20 4.77 0.34 -5.04 117.00 109.63 3caw n LEU 246 Ca -0.18 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.62 3caw n LEU 246 Cb 0.62 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 3caw n LEU 246 CO 0.71 -0.27 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.51 3caw s LYS 247 N -0.43 1.20 0.09 3.23 -0.14 -1.09 -4.86 119.74 117.74 3caw s LYS 247 Ca 0.00 -1.45 0.06 0.00 -1.36 0.00 0.00 55.97 53.22 3caw s LYS 247 Cb 0.00 -1.02 -0.03 0.00 -1.68 0.00 0.00 37.83 35.10 3caw s LYS 247 CO 0.00 0.18 -0.16 -0.48 -0.76 0.00 0.00 175.35 174.13 3caw s LEU 248 N -2.97 2.30 -0.06 3.17 0.05 -0.75 -1.29 118.68 119.12 3caw s LEU 248 Ca 0.17 -0.66 0.02 0.00 0.05 0.00 0.00 54.13 53.71 3caw s LEU 248 Cb -0.02 -0.60 0.01 0.00 -2.05 0.00 0.00 46.19 43.53 3caw s LEU 248 CO 0.05 -0.06 -0.11 0.00 -0.55 0.00 0.00 176.35 175.68 3caw s ALA 249 N -1.37 1.19 -0.18 1.48 0.00 -0.83 -0.92 121.76 121.13 3caw s ALA 249 Ca 0.01 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 3caw s ALA 249 Cb -0.09 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 3caw s ALA 249 CO 0.03 0.08 0.09 0.08 0.00 0.00 0.00 175.76 176.03 3caw s VAL 250 N 0.73 5.01 0.20 0.00 1.01 -1.26 -0.37 120.40 125.73 3caw s VAL 250 Ca -0.13 0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3caw s VAL 250 Cb -0.16 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 3caw s VAL 250 CO 0.03 0.48 -0.00 0.42 0.00 0.00 0.00 175.10 176.03 3caw s THR 251 N 0.16 0.86 0.00 3.92 -4.23 -0.74 -0.98 115.64 114.62 3caw s THR 251 Ca 0.06 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3caw s THR 251 Cb -0.12 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.50 3caw s THR 251 CO -0.00 -0.40 0.00 -1.54 -0.54 0.00 0.00 174.62 172.14 3caw n SER 252 N -0.33 0.00 -2.63 3.99 3.41 -0.86 -4.06 113.62 113.14 3caw n SER 252 Ca -0.06 -0.51 -0.08 0.00 -0.26 0.00 0.00 58.87 57.97 3caw n SER 252 Cb 0.63 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.89 1.65 -4.23 7.33 9.36 -1.26 -4.92 117.16 124.19 3caw n TYR 253 Ca 0.00 -2.31 -0.30 0.00 3.32 0.00 0.00 57.90 58.60 3caw n TYR 253 Cb 0.00 -0.27 -0.07 0.00 -0.63 0.00 0.00 39.34 38.37 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 -0.53 -1.69 -0.89 2.98 2.81 -1.26 -4.90 117.12 113.64 3caw n MET 254 Ca 0.16 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 3caw n MET 254 Cb 0.83 -3.99 0.00 0.00 -0.71 0.00 0.00 33.22 29.34 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 -2.88 1.39 -4.76 7.83 5.75 -1.26 -5.11 116.55 117.51 3caw n ASP 255 Ca -0.28 -0.53 -0.34 0.00 -0.01 0.00 0.00 54.79 53.64 3caw n ASP 255 Cb 0.67 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.81 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 0.41 2.50 0.42 2.11 5.65 -1.26 -4.76 115.29 120.36 3caw s HIS 256 Ca 0.00 1.56 0.19 0.00 0.25 0.00 0.00 55.06 57.06 3caw s HIS 256 Cb 0.00 -3.26 1.12 0.00 -1.18 0.00 0.00 32.58 29.26 3caw s HIS 256 CO 0.00 -1.89 1.84 -1.35 -0.65 0.00 0.00 174.74 172.69 3caw h PRO 257 N 0.16 0.36 -0.66 2.88 0.11 -1.96 0.29 132.00 133.19 3caw h PRO 257 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3caw h PRO 257 Cb 1.26 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3caw h PRO 257 CO 0.54 0.24 0.39 0.28 -0.21 0.00 0.00 178.00 179.24 3caw h VAL 258 N 0.37 1.19 -0.54 3.15 2.07 -1.96 -0.45 116.25 120.09 3caw h VAL 258 Ca 0.49 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 3caw h VAL 258 Cb 1.29 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3caw h VAL 258 CO -0.19 0.20 0.06 1.23 0.02 0.00 0.00 177.57 178.90 3caw h GLY 259 N 0.90 0.98 0.97 2.17 0.00 -0.83 -1.93 103.07 105.32 3caw h GLY 259 Ca 0.24 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3caw h GLY 259 CO -0.04 0.62 0.09 -2.08 0.00 0.00 0.00 176.54 175.12 3caw h VAL 260 N 0.79 1.06 -0.59 4.60 2.07 -0.82 -0.74 116.25 122.62 3caw h VAL 260 Ca 0.16 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3caw h VAL 260 Cb 0.44 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3caw h VAL 260 CO 0.02 0.06 0.24 0.58 0.02 0.00 0.00 177.57 178.48 3caw h VAL 261 N 0.17 1.23 -0.75 2.57 2.07 -1.03 -1.27 116.25 119.23 3caw h VAL 261 Ca 0.05 -0.70 0.07 0.00 0.82 0.00 0.00 66.70 66.94 3caw h VAL 261 Cb 0.02 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 3caw h VAL 261 CO -0.01 0.27 0.43 0.45 0.02 0.00 0.00 177.57 178.74 3caw h HIS 262 N 0.81 0.79 -0.40 1.57 3.86 -1.12 -0.28 115.15 120.37 3caw h HIS 262 Ca 0.20 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 3caw h HIS 262 Cb 0.20 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 3caw h HIS 262 CO 0.01 0.36 0.10 0.00 0.86 0.00 0.00 177.93 179.26 3caw h ALA 263 N 1.39 0.53 -0.63 2.45 0.00 -0.57 -2.06 119.26 120.37 3caw h ALA 263 Ca 0.34 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3caw h ALA 263 Cb 0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3caw h ALA 263 CO -0.20 0.21 0.15 0.28 0.00 0.00 0.00 179.25 179.69 3caw h VAL 264 N 0.51 1.25 -0.76 0.00 2.07 -0.88 -1.20 116.25 117.24 3caw h VAL 264 Ca 0.13 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3caw h VAL 264 Cb 0.31 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3caw h VAL 264 CO 0.00 0.34 0.48 1.23 0.02 0.00 0.00 177.57 179.65 3caw h GLY 265 N 1.04 1.09 0.93 2.17 0.00 -0.76 0.29 103.07 107.83 3caw h GLY 265 Ca 0.20 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 3caw h GLY 265 CO 0.00 0.32 0.01 -2.08 0.00 0.00 0.00 176.54 174.79 3caw h VAL 266 N 0.95 1.26 -0.69 4.60 2.07 -0.95 -2.13 116.25 121.36 3caw h VAL 266 Ca 0.30 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.85 3caw h VAL 266 Cb -0.01 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3caw h VAL 266 CO -0.10 0.32 0.45 0.00 0.02 0.00 0.00 177.57 178.27 3caw h ALA 267 N 0.88 0.87 -0.22 1.67 0.00 -0.72 -0.40 119.26 121.34 3caw h ALA 267 Ca 0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3caw h ALA 267 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3caw h ALA 267 CO 0.02 0.30 -0.25 0.52 0.00 0.00 0.00 179.25 179.84 3caw h MET 268 N 0.94 0.41 -0.16 0.00 2.86 -0.86 0.14 114.93 118.25 3caw h MET 268 Ca 0.25 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3caw h MET 268 Cb -0.10 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.53 3caw h MET 268 CO -0.05 0.64 -0.10 1.49 1.06 0.00 0.00 176.91 179.94 3caw h GLU 269 N 0.37 0.35 -0.75 1.72 4.81 -0.84 -1.33 114.58 118.92 3caw h GLU 269 Ca 0.06 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3caw h GLU 269 Cb 0.64 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 3caw h GLU 269 CO 0.05 0.69 0.38 -0.07 -0.73 0.00 0.00 179.01 179.33 3caw h LEU 270 N 0.01 0.96 -0.34 1.64 3.38 -0.89 -1.77 115.31 118.30 3caw h LEU 270 Ca 0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3caw h LEU 270 Cb 0.60 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3caw h LEU 270 CO 0.03 0.81 0.20 0.50 0.09 0.00 0.00 178.44 180.06 3caw h LYS 271 N 1.04 0.47 -0.26 1.13 1.63 -0.91 0.47 116.57 120.14 3caw h LYS 271 Ca 0.26 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.98 3caw h LYS 271 Cb 0.08 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 3caw h LYS 271 CO -0.04 0.37 0.02 0.22 -3.45 0.00 0.00 179.45 176.57 3caw h ASP 272 N 0.44 0.35 0.12 4.20 3.58 -1.12 0.16 116.42 124.14 3caw h ASP 272 Ca 0.12 -0.05 -0.25 0.00 0.42 0.00 0.00 57.03 57.28 3caw h ASP 272 Cb 0.03 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3caw h ASP 272 CO -0.02 0.39 -1.22 0.11 -2.88 0.00 0.00 179.24 175.62 3caw h LYS 273 N 0.38 0.25 -0.16 0.28 1.57 -0.70 -3.40 116.57 114.78 3caw h LYS 273 Ca 0.09 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3caw h LYS 273 Cb 0.22 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3caw h LYS 273 CO 0.00 1.20 0.00 0.66 -0.57 0.00 0.00 179.45 180.74 3caw n TYR 274 N -4.01 0.20 0.00 -1.35 4.01 0.16 -5.05 117.16 111.13 3caw n TYR 274 Ca -0.22 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.32 3caw n TYR 274 Cb 0.87 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 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 0.65 1.97 0.21 2.72 0.00 0.55 -1.09 105.19 110.20 3caw n GLY 275 Ca 0.09 0.39 0.09 0.00 0.00 0.00 0.00 46.02 46.59 3caw n GLY 275 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3caw h ASP 276 N 0.00 0.00 1.17 1.61 3.32 -1.96 0.11 116.42 120.67 3caw h ASP 276 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3caw h ASP 276 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3caw h ASP 276 CO 0.00 0.00 -0.10 -0.03 -1.72 0.00 0.00 179.24 177.39 3caw h MET 277 N 0.00 0.00 -5.31 3.56 4.05 -1.48 -3.43 114.93 112.33 3caw h MET 277 Ca 0.00 0.00 -0.61 0.00 -0.28 0.00 0.00 59.70 58.81 3caw h MET 277 Cb 0.57 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 31.24 3caw h MET 277 CO 0.00 0.10 -0.30 0.42 0.23 0.00 0.00 176.91 177.36 3caw s ILE 278 N -3.55 5.25 0.76 1.77 -1.09 0.36 -1.81 121.20 122.89 3caw s ILE 278 Ca 0.02 0.53 -0.03 0.00 -2.23 0.00 0.00 60.65 58.94 3caw s ILE 278 Cb 0.09 -3.65 0.14 0.00 -1.58 0.00 0.00 42.46 37.46 3caw s ILE 278 CO 0.61 0.28 1.04 -0.76 -1.23 0.00 0.00 174.94 174.88 3caw s LEU 279 N 1.22 2.93 0.68 2.97 1.43 -0.10 -4.97 118.68 122.84 3caw s LEU 279 Ca 0.15 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.78 3caw s LEU 279 Cb -0.14 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.09 3caw s LEU 279 CO 0.07 -2.00 1.26 -0.62 0.23 0.00 0.00 176.35 175.28 3caw n GLU 280 N -2.97 0.94 -2.53 1.70 1.02 -1.26 -4.69 120.64 112.84 3caw n GLU 280 Ca 0.15 0.38 -0.24 0.00 -0.02 0.00 0.00 57.16 57.44 3caw n GLU 280 Cb 0.60 -2.50 0.10 0.00 -0.02 0.00 0.00 31.44 29.63 3caw n GLU 280 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3caw s SER 281 N -1.50 4.40 -0.36 1.62 0.01 -0.09 -4.48 113.70 113.30 3caw s SER 281 Ca 0.81 -0.24 0.14 0.00 1.31 0.00 0.00 55.95 57.96 3caw s SER 281 Cb -0.37 -0.18 0.38 0.00 0.21 0.00 0.00 66.02 66.06 3caw s SER 281 CO 0.42 -1.82 0.80 0.61 0.41 0.00 0.00 173.24 173.66 3caw n GLY 282 N -2.84 2.98 0.00 3.44 0.00 -0.16 -1.26 105.19 107.35 3caw n GLY 282 Ca 0.14 -1.55 0.06 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.33 5.39 0.00 0.00 7.94 -1.26 -4.51 117.00 123.22 3caw n LEU 284 Ca 0.02 -3.86 0.00 0.00 -1.11 0.00 0.00 56.01 51.06 3caw n LEU 284 Cb 0.21 -1.68 0.00 0.00 0.53 0.00 0.00 43.42 42.49 3caw n LEU 284 CO 0.27 0.27 0.41 0.35 -1.11 0.00 0.00 177.39 177.58 3caw n THR 285 N 6.05 0.66 0.27 1.96 -2.24 -1.26 -4.73 114.28 114.99 3caw n THR 285 Ca 0.50 -0.77 0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3caw n THR 285 Cb 0.43 0.70 0.74 0.00 -2.10 0.00 0.00 70.33 70.10 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 -1.89 -1.49 115.15 118.62 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 0.43 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.41 3caw h HIS 286 CO 0.00 0.10 0.00 0.54 -3.07 0.00 0.00 177.93 175.50 3caw n ARG 287 N -3.49 0.97 0.14 5.12 1.74 -1.26 -3.00 116.66 116.88 3caw n ARG 287 Ca -0.01 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.19 3caw n ARG 287 Cb 0.25 -1.50 0.43 0.00 -1.02 0.00 0.00 32.46 30.62 3caw n ARG 287 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3caw h LEU 288 N 0.00 0.00 -9.04 0.55 3.38 -1.62 -3.45 115.31 105.13 3caw h LEU 288 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3caw h LEU 288 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 3caw h LEU 288 CO 0.00 0.00 -0.78 -0.31 0.09 0.00 0.00 178.44 177.44 3caw s TYR 289 N -3.22 2.12 0.38 1.13 2.02 -1.16 -2.22 117.35 116.40 3caw s TYR 289 Ca 0.08 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.11 3caw s TYR 289 Cb 0.10 -0.99 -0.09 0.00 -0.40 0.00 0.00 41.96 40.58 3caw s TYR 289 CO 0.54 0.53 1.28 -0.65 -1.57 0.00 0.00 175.55 175.67 3caw s GLN 290 N -3.13 4.12 0.19 -0.62 -0.21 0.45 -4.81 119.66 115.65 3caw s GLN 290 Ca 0.23 2.11 -0.32 0.00 0.02 0.00 0.00 55.36 57.41 3caw s GLN 290 Cb -0.05 -2.85 -0.16 0.00 1.00 0.00 0.00 33.01 30.94 3caw s GLN 290 CO 0.11 -0.35 1.04 -0.12 -2.12 0.00 0.00 175.29 173.85 3caw n MET 291 N 0.36 0.98 -4.42 2.91 0.00 -1.26 -4.72 117.12 110.96 3caw n MET 291 Ca 0.02 0.35 -0.21 0.00 -0.00 0.00 0.00 57.70 57.86 3caw n MET 291 Cb 0.43 -1.76 -0.10 0.00 0.00 0.00 0.00 33.22 31.80 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 -0.24 2.11 0.38 6.12 -4.77 -1.26 -5.01 116.67 114.00 3caw s ASP 292 Ca 0.70 -1.45 0.11 0.00 -3.30 0.00 0.00 52.55 48.61 3caw s ASP 292 Cb -0.86 0.13 0.90 0.00 -1.09 0.00 0.00 42.92 42.00 3caw s ASP 292 CO 0.55 -0.72 1.90 0.77 0.70 0.00 0.00 175.17 178.36 3caw h SER 293 N 2.12 0.55 0.02 2.11 4.64 -2.00 -2.07 113.55 118.93 3caw h SER 293 Ca -0.39 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3caw h SER 293 Cb 1.25 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3caw h SER 293 CO 0.64 0.29 -0.01 -0.26 -0.87 0.00 0.00 176.83 176.62 3caw h PHE 294 N 0.59 -0.03 -0.39 4.77 0.04 -2.00 -3.17 116.94 116.75 3caw h PHE 294 Ca 0.40 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.24 3caw h PHE 294 Cb 0.72 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.86 3caw h PHE 294 CO -0.00 0.49 0.27 0.00 -0.60 0.00 0.00 178.31 178.47 3caw h ALA 295 N 0.38 2.06 -0.04 2.45 0.00 -1.89 -0.84 119.26 121.37 3caw h ALA 295 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3caw h ALA 295 Cb 0.54 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3caw h ALA 295 CO 0.01 -0.14 0.06 0.00 0.00 0.00 0.00 179.25 179.17 3caw h ALA 296 N 1.80 1.51 -0.14 0.00 0.00 -1.35 -1.51 119.26 119.57 3caw h ALA 296 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3caw h ALA 296 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3caw h ALA 296 CO -0.03 -0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.53 3caw n GLU 297 N -3.70 1.94 -3.91 0.00 1.02 -0.32 -4.90 120.64 110.76 3caw n GLU 297 Ca -0.02 -1.39 -0.34 0.00 -0.02 0.00 0.00 57.16 55.39 3caw n GLU 297 Cb 0.14 -1.45 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 3caw n GLU 297 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3caw s LEU 298 N -1.74 4.35 0.08 -4.62 1.43 -0.57 -4.65 118.68 112.95 3caw s LEU 298 Ca 0.34 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 3caw s LEU 298 Cb 0.20 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 3caw s LEU 298 CO 0.30 0.29 -0.08 -0.44 0.23 0.00 0.00 176.35 176.65 3caw s SER 299 N -1.77 1.10 0.17 2.29 0.01 -1.26 -5.05 113.70 109.20 3caw s SER 299 Ca 0.25 -0.79 0.04 0.00 1.31 0.00 0.00 55.95 56.76 3caw s SER 299 Cb -0.12 0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.11 3caw s SER 299 CO 0.16 -0.32 -0.06 0.42 0.41 0.00 0.00 173.24 173.85 3caw s THR 300 N -2.50 1.06 -0.36 1.44 -4.23 -1.26 -1.04 115.64 108.76 3caw s THR 300 Ca 0.02 -2.04 -0.00 0.00 -1.18 0.00 0.00 61.69 58.49 3caw s THR 300 Cb -0.02 -2.03 0.13 0.00 1.34 0.00 0.00 72.50 71.92 3caw s THR 300 CO -0.02 -0.59 0.19 -1.58 -0.54 0.00 0.00 174.62 172.08 3caw s GLN 301 N -3.80 0.67 7.94 3.99 -0.44 -0.40 -4.90 119.66 122.72 3caw s GLN 301 Ca 0.21 -1.32 0.00 0.00 -2.50 0.00 0.00 55.36 51.75 3caw s GLN 301 Cb 0.04 -1.57 0.00 0.00 -1.64 0.00 0.00 33.01 29.84 3caw s GLN 301 CO 0.03 -1.15 0.00 0.41 0.50 0.00 0.00 175.29 175.08 3caw n GLY 302 N 4.20 3.71 0.00 2.59 0.00 -1.26 -1.49 105.19 112.94 3caw n GLY 302 Ca 0.07 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 13.92 0.82 -3.99 1.61 -0.04 -1.26 -4.83 135.00 141.24 3caw n PRO 303 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 3caw n PRO 303 Cb 0.00 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 31.93 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 3.47 -0.20 0.54 2.02 -0.56 -1.42 117.35 119.21 3caw s TYR 304 Ca 0.36 0.42 -0.17 0.00 -0.37 0.00 0.00 57.07 57.31 3caw s TYR 304 Cb 0.17 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.76 3caw s TYR 304 CO 0.28 0.62 0.46 -1.17 -1.57 0.00 0.00 175.55 174.17 3caw s LEU 305 N -0.84 4.15 0.49 -1.29 2.96 -1.26 -1.27 118.68 121.61 3caw s LEU 305 Ca 0.14 0.60 -0.11 0.00 -0.22 0.00 0.00 54.13 54.54 3caw s LEU 305 Cb -0.12 -2.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.90 3caw s LEU 305 CO 0.03 -0.13 0.87 -0.76 -1.32 0.00 0.00 176.35 175.04 3caw s LEU 306 N 1.48 3.61 -0.11 -0.68 1.43 -0.20 -4.96 118.68 119.26 3caw s LEU 306 Ca 0.22 1.24 -0.29 0.00 -1.03 0.00 0.00 54.13 54.26 3caw s LEU 306 Cb -0.15 -4.18 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 3caw s LEU 306 CO 0.09 -0.58 1.68 -0.75 0.23 0.00 0.00 176.35 177.02 3caw s LYS 307 N -4.39 4.02 0.56 1.70 2.20 -1.26 -4.62 119.74 117.95 3caw s LYS 307 Ca 0.53 2.04 -0.08 0.00 -0.36 0.00 0.00 55.97 58.09 3caw s LYS 307 Cb -0.10 -4.02 -0.04 0.00 -1.51 0.00 0.00 37.83 32.16 3caw s LYS 307 CO 0.39 -1.04 0.92 0.54 -0.36 0.00 0.00 175.35 175.80 3caw s ASN 308 N 3.86 6.25 0.45 1.43 4.22 -1.26 -4.98 114.94 124.90 3caw s ASN 308 Ca 0.74 1.20 -0.24 0.00 -2.14 0.00 0.00 52.86 52.42 3caw s ASN 308 Cb -0.31 -2.37 -0.08 0.00 1.28 0.00 0.00 41.25 39.78 3caw s ASN 308 CO 0.30 -0.73 1.20 -0.54 -2.04 0.00 0.00 177.10 175.29 3caw s LYS 309 N -4.97 3.80 0.00 3.55 1.02 -1.26 -4.86 119.74 117.02 3caw s LYS 309 Ca 0.52 1.88 0.00 0.00 0.02 0.00 0.00 55.97 58.39 3caw s LYS 309 Cb -0.11 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 3caw s LYS 309 CO 0.50 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 3caw n GLY 310 N 0.55 -0.04 3.43 -3.33 0.00 -1.26 -3.14 105.19 101.40 3caw n GLY 310 Ca 0.06 -2.27 -0.23 0.00 0.00 0.00 0.00 46.02 43.58 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 0.00 2.30 0.00 2.61 -4.23 -1.26 -4.54 115.64 110.52 3caw s THR 311 Ca 0.00 -2.29 0.00 0.00 -1.18 0.00 0.00 61.69 58.22 3caw s THR 311 Cb 0.00 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.64 3caw s THR 311 CO 0.00 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 3caw n GLY 312 N -0.38 1.63 0.31 3.99 0.00 0.34 -0.85 105.19 110.23 3caw n GLY 312 Ca -0.07 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 0.05 -1.03 1.61 0.24 -1.26 -0.63 118.33 117.30 3caw n VAL 313 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3caw n VAL 313 Cb 0.00 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 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 1.07 -0.65 2.35 7.63 0.00 -0.03 -4.90 105.19 110.66 3caw n GLY 314 Ca 0.19 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.91 -0.26 1.61 3.72 -1.19 -4.68 117.46 115.75 3caw n PHE 315 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3caw n PHE 315 Cb 0.00 -3.10 -0.05 0.00 -0.94 0.00 0.00 39.48 35.40 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 -1.66 -0.73 4.37 5.19 -1.85 -0.45 116.42 121.29 3caw h ASP 316 Ca -0.35 0.27 -0.07 0.00 -0.62 0.00 0.00 57.03 56.26 3caw h ASP 316 Cb 1.19 0.75 -0.03 0.00 0.18 0.00 0.00 39.33 41.42 3caw h ASP 316 CO 0.45 -0.32 0.19 0.11 -3.12 0.00 0.00 179.24 176.55 3caw h LYS 317 N -0.18 1.16 -0.27 3.56 1.57 -1.96 -1.61 116.57 118.84 3caw h LYS 317 Ca 0.18 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3caw h LYS 317 Cb 0.54 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3caw h LYS 317 CO -0.76 1.00 0.15 -0.07 -0.57 0.00 0.00 179.45 179.20 3caw h LEU 318 N 1.10 0.33 -0.41 2.94 3.38 -1.75 -0.80 115.31 120.11 3caw h LEU 318 Ca 0.23 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3caw h LEU 318 Cb 0.36 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3caw h LEU 318 CO -0.00 0.31 -0.07 -0.07 0.09 0.00 0.00 178.44 178.70 3caw h LEU 319 N 0.33 0.76 -1.76 1.67 3.38 -1.02 -2.80 115.31 115.88 3caw h LEU 319 Ca 0.10 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3caw h LEU 319 Cb 0.05 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3caw h LEU 319 CO -0.02 0.93 -0.14 -0.33 0.09 0.00 0.00 178.44 178.97 3caw h GLU 320 N 0.58 0.00 0.00 1.13 5.08 -1.19 -2.75 114.58 117.43 3caw h GLU 320 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3caw h GLU 320 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3caw h GLU 320 CO 0.03 0.14 -0.08 0.00 -1.00 0.00 0.00 179.01 178.10 3caw h ALA 321 N 1.86 0.95 -2.12 3.43 0.00 -0.87 -3.46 119.26 119.04 3caw h ALA 321 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.45 3caw h ALA 321 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3caw h ALA 321 CO 0.02 0.00 0.34 -0.51 0.00 0.00 0.00 179.25 179.10 3caw s LEU 322 N -5.20 3.81 -0.15 0.00 1.43 -1.04 -5.04 118.68 112.50 3caw s LEU 322 Ca 0.08 1.62 -0.18 0.00 -1.03 0.00 0.00 54.13 54.62 3caw s LEU 322 Cb 0.09 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 3caw s LEU 322 CO 0.64 -0.45 0.49 -0.89 0.23 0.00 0.00 176.35 176.37 3caw s THR 323 N -2.36 5.16 -0.12 5.49 2.01 -1.26 -5.05 115.64 119.50 3caw s THR 323 Ca 0.60 0.95 -0.03 0.00 0.31 0.00 0.00 61.69 63.52 3caw s THR 323 Cb -0.09 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 3caw s THR 323 CO 0.21 0.27 -0.01 0.26 -0.69 0.00 0.00 174.62 174.66 3caw s TRP 324 N 1.01 3.12 -0.18 4.92 0.52 -1.26 -4.68 118.94 122.39 3caw s TRP 324 Ca 0.25 0.00 -0.08 0.00 0.02 0.00 0.00 56.10 56.29 3caw s TRP 324 Cb -0.15 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.24 3caw s TRP 324 CO 0.10 0.25 0.10 0.71 0.02 0.00 0.00 176.95 178.13 3caw s TYR 325 N -0.27 3.38 0.29 -1.98 2.02 -0.14 -4.82 117.35 115.83 3caw s TYR 325 Ca 0.06 0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.73 3caw s TYR 325 Cb -0.12 -2.08 -0.12 0.00 -0.40 0.00 0.00 41.96 39.24 3caw s TYR 325 CO 0.02 0.33 1.62 1.04 -1.57 0.00 0.00 175.55 176.98 3caw n GLN 326 N 3.21 2.75 -0.00 -0.62 6.02 -1.26 -0.57 117.38 126.91 3caw n GLN 326 Ca -0.17 0.98 -0.01 0.00 -0.01 0.00 0.00 57.00 57.79 3caw n GLN 326 Cb 0.53 -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 2.26 0.19 0.00 1.08 7.94 0.33 -4.86 117.00 123.94 3caw n LEU 327 Ca 0.09 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 3caw n LEU 327 Cb 0.37 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 44.06 3caw n LEU 327 CO 0.64 -0.51 0.00 1.17 -1.11 0.00 0.00 177.39 177.58