#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fl5 s LYS 8 N 0.00 0.97 0.38 -1.46 -2.85 -1.26 -4.36 119.74 111.16 3fl5 s LYS 8 Ca 0.00 -0.98 -0.26 0.00 -1.00 0.00 0.00 55.97 53.72 3fl5 s LYS 8 Cb 0.00 0.37 -0.09 0.00 -2.06 0.00 0.00 37.83 36.05 3fl5 s LYS 8 CO 0.00 -0.33 1.22 0.00 0.10 0.00 0.00 175.35 176.34 3fl5 s ALA 9 N -3.88 3.25 -0.57 0.59 0.00 -1.26 -4.95 121.76 114.94 3fl5 s ALA 9 Ca 0.08 1.08 0.24 0.00 0.00 0.00 0.00 51.96 53.36 3fl5 s ALA 9 Cb 0.04 -3.42 0.49 0.00 0.00 0.00 0.00 23.12 20.23 3fl5 s ALA 9 CO -0.08 -0.59 1.56 0.00 0.00 0.00 0.00 175.76 176.64 3fl5 h ARG 10 N 2.86 0.00 -4.50 0.00 3.08 -1.97 -3.42 114.38 110.43 3fl5 h ARG 10 Ca -0.49 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.30 3fl5 h ARG 10 Cb 1.23 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.07 3fl5 h ARG 10 CO 0.63 0.00 -0.73 0.14 -1.07 0.00 0.00 179.97 178.94 3fl5 s VAL 11 N -3.18 0.49 -1.76 2.04 -7.23 -1.26 -4.88 120.40 104.63 3fl5 s VAL 11 Ca 0.07 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 3fl5 s VAL 11 Cb 0.10 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.47 3fl5 s VAL 11 CO 0.66 -0.40 0.00 -1.22 -0.31 0.00 0.00 175.10 173.84 3fl5 n TYR 12 N 1.47 -0.55 0.08 2.82 4.01 -1.26 -4.85 117.16 118.88 3fl5 n TYR 12 Ca -0.23 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.55 3fl5 n TYR 12 Cb 0.55 -3.32 0.45 0.00 -0.31 0.00 0.00 39.34 36.71 3fl5 n TYR 12 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fl5 h ALA 13 N 0.57 1.71 -0.59 -0.72 0.00 -1.90 -3.09 119.26 115.24 3fl5 h ALA 13 Ca -0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3fl5 h ALA 13 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3fl5 h ALA 13 CO 0.53 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.62 3fl5 n ASP 14 N -4.44 4.32 0.15 0.00 3.85 -1.26 -4.38 116.55 114.79 3fl5 n ASP 14 Ca 0.01 -2.35 -0.14 0.00 -0.71 0.00 0.00 54.79 51.60 3fl5 n ASP 14 Cb 0.12 -0.51 -0.07 0.00 -1.35 0.00 0.00 41.12 39.30 3fl5 n ASP 14 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 3fl5 h VAL 15 N 3.67 0.66 -0.00 2.12 2.07 -1.88 -1.82 116.25 121.06 3fl5 h VAL 15 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3fl5 h VAL 15 Cb 1.28 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3fl5 h VAL 15 CO 0.16 0.00 -0.05 0.59 0.02 0.00 0.00 177.57 178.29 3fl5 n ASN 16 N -5.28 0.14 0.11 0.57 3.02 -1.26 -2.51 115.26 110.05 3fl5 n ASN 16 Ca -0.09 -0.17 -0.23 0.00 -0.03 0.00 0.00 54.58 54.07 3fl5 n ASN 16 Cb 0.20 -0.24 -0.15 0.00 -0.61 0.00 0.00 39.78 38.98 3fl5 n ASN 16 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3fl5 h VAL 17 N 0.14 1.34 0.00 2.41 2.07 -1.74 -3.37 116.25 117.10 3fl5 h VAL 17 Ca 0.00 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.94 3fl5 h VAL 17 Cb 0.34 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 3fl5 h VAL 17 CO 0.00 0.77 -0.70 -0.07 0.02 0.00 0.00 177.57 177.58 3fl5 h LEU 18 N 0.04 0.00-10.20 2.57 3.38 -1.29 -3.47 115.31 106.34 3fl5 h LEU 18 Ca -0.21 -0.14 -0.49 0.00 0.09 0.00 0.00 57.88 57.12 3fl5 h LEU 18 Cb 1.96 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.72 3fl5 h LEU 18 CO 0.23 0.07 0.13 -0.13 0.09 0.00 0.00 178.44 178.83 3fl5 s ARG 19 N -3.22 3.71 0.54 1.13 0.52 -1.04 -5.03 118.95 115.56 3fl5 s ARG 19 Ca 0.04 0.41 -0.20 0.00 -0.52 0.00 0.00 55.73 55.46 3fl5 s ARG 19 Cb 0.12 -2.37 -0.07 0.00 0.52 0.00 0.00 34.95 33.15 3fl5 s ARG 19 CO 0.74 -0.10 0.97 -2.30 0.02 0.00 0.00 175.30 174.63 3fl5 n PRO 20 N -1.60 1.06 -0.22 3.54 -0.02 -1.26 -4.87 135.00 131.63 3fl5 n PRO 20 Ca 0.02 0.40 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 3fl5 n PRO 20 Cb 0.54 -2.13 0.34 0.00 -0.02 0.00 0.00 33.50 32.24 3fl5 n PRO 20 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3fl5 h LYS 21 N 0.85 0.76 -0.46 -0.52 3.64 -1.95 -1.32 116.57 117.56 3fl5 h LYS 21 Ca -0.47 -0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.00 3fl5 h LYS 21 Cb 1.35 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3fl5 h LYS 21 CO 0.53 0.50 0.52 1.05 -2.27 0.00 0.00 179.45 179.78 3fl5 h GLU 22 N 0.78 0.00 -0.15 1.90 4.11 -1.89 0.81 114.58 120.15 3fl5 h GLU 22 Ca 0.35 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.73 3fl5 h GLU 22 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3fl5 h GLU 22 CO -0.13 0.00 -0.09 -0.92 0.07 0.00 0.00 179.01 177.94 3fl5 h TYR 23 N 0.00 0.38 0.00 2.06 3.20 -1.58 -3.36 116.97 117.67 3fl5 h TYR 23 Ca 0.22 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3fl5 h TYR 23 Cb 1.25 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.44 3fl5 h TYR 23 CO 0.00 0.66 -1.52 -2.67 -1.64 0.00 0.00 178.16 173.00 3fl5 n TRP 24 N -4.62 0.00 -2.44 -3.82 4.27 -0.88 -4.76 117.44 105.19 3fl5 n TRP 24 Ca -0.06 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.12 3fl5 n TRP 24 Cb 0.31 -0.28 0.00 0.00 -1.36 0.00 0.00 31.31 29.98 3fl5 n TRP 24 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 3fl5 n ASP 25 N -1.91 4.77 0.20 -0.67 2.03 0.23 -4.76 116.55 116.44 3fl5 n ASP 25 Ca -0.01 -2.93 0.07 0.00 0.52 0.00 0.00 54.79 52.44 3fl5 n ASP 25 Cb 0.42 -1.68 0.38 0.00 -0.72 0.00 0.00 41.12 39.53 3fl5 n ASP 25 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 3fl5 h TYR 26 N 7.00 0.00 0.00 -0.67 -0.00 -1.85 -2.92 116.97 118.52 3fl5 h TYR 26 Ca 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 59.16 3fl5 h TYR 26 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.53 3fl5 h TYR 26 CO 1.36 0.31 -0.09 0.93 -0.00 0.00 0.00 178.16 180.67 3fl5 h GLU 27 N 0.00 0.00 -0.00 0.10 5.08 -1.90 -2.03 114.58 115.83 3fl5 h GLU 27 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fl5 h GLU 27 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3fl5 h GLU 27 CO 0.04 0.09 -0.14 0.00 -1.00 0.00 0.00 179.01 178.00 3fl5 n ALA 28 N -2.26 2.78 -1.77 3.43 0.00 -1.10 -4.89 120.51 116.70 3fl5 n ALA 28 Ca -0.02 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 3fl5 n ALA 28 Cb 0.21 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 3fl5 n ALA 28 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3fl5 s LEU 29 N -2.64 4.37 -0.19 0.00 2.96 -0.76 -5.03 118.68 117.39 3fl5 s LEU 29 Ca 0.24 2.87 0.01 0.00 -0.22 0.00 0.00 54.13 57.03 3fl5 s LEU 29 Cb 0.19 -3.67 0.03 0.00 0.50 0.00 0.00 46.19 43.25 3fl5 s LEU 29 CO 0.52 -0.71 -0.15 0.42 -1.32 0.00 0.00 176.35 175.10 3fl5 s THR 30 N -1.13 1.83 0.12 3.68 -4.23 -1.26 -5.07 115.64 109.57 3fl5 s THR 30 Ca 0.51 -0.96 -0.31 0.00 -1.18 0.00 0.00 61.69 59.76 3fl5 s THR 30 Cb -0.43 -1.77 -0.07 0.00 1.34 0.00 0.00 72.50 71.57 3fl5 s THR 30 CO 0.58 0.35 1.27 -0.69 -0.54 0.00 0.00 174.62 175.59 3fl5 s VAL 31 N 1.35 3.61 -0.65 2.29 1.01 -1.26 -4.99 120.40 121.76 3fl5 s VAL 31 Ca 0.02 1.21 -0.19 0.00 0.00 0.00 0.00 61.98 63.01 3fl5 s VAL 31 Cb -0.15 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 32.57 3fl5 s VAL 31 CO -0.10 0.12 0.78 -1.10 0.00 0.00 0.00 175.10 174.80 3fl5 s GLN 32 N 0.68 3.14 -0.17 2.72 -1.52 -1.26 -5.04 119.66 118.22 3fl5 s GLN 32 Ca 0.59 -1.40 -0.29 0.00 -1.95 0.00 0.00 55.36 52.31 3fl5 s GLN 32 Cb -0.33 -4.34 -0.02 0.00 -0.22 0.00 0.00 33.01 28.10 3fl5 s GLN 32 CO 0.32 -1.58 1.28 -1.58 -0.25 0.00 0.00 175.29 173.49 3fl5 s TRP 33 N 2.65 2.80 0.00 0.91 0.52 -1.26 -4.69 118.94 119.86 3fl5 s TRP 33 Ca 0.15 0.96 0.00 0.00 0.02 0.00 0.00 56.10 57.23 3fl5 s TRP 33 Cb -0.21 -3.54 0.00 0.00 -1.15 0.00 0.00 33.47 28.57 3fl5 s TRP 33 CO 0.04 -1.81 0.00 0.41 0.02 0.00 0.00 176.95 175.61 3fl5 n GLY 34 N 3.66 -0.74 3.54 0.98 0.00 0.70 -4.99 105.19 108.35 3fl5 n GLY 34 Ca 0.14 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 3fl5 n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fl5 s GLU 35 N -0.14 3.48 0.35 1.61 0.41 -1.26 -4.71 118.70 118.44 3fl5 s GLU 35 Ca 0.00 -0.14 0.06 0.00 -0.41 0.00 0.00 54.97 54.48 3fl5 s GLU 35 Cb 0.00 -3.88 0.75 0.00 -1.78 0.00 0.00 34.13 29.22 3fl5 s GLU 35 CO 0.00 -0.89 1.93 0.37 -0.49 0.00 0.00 175.26 176.17 3fl5 h GLN 36 N 8.70 0.74 0.00 1.61 5.75 -1.94 -2.33 115.11 127.63 3fl5 h GLN 36 Ca -0.26 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 3fl5 h GLN 36 Cb 1.10 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.49 3fl5 h GLN 36 CO 0.87 0.49 0.00 -0.25 -2.65 0.00 0.00 178.83 177.29 3fl5 n ASP 37 N -4.50 0.00 0.18 -0.69 8.00 -1.26 -3.52 116.55 114.76 3fl5 n ASP 37 Ca 0.13 0.45 0.14 0.00 0.71 0.00 0.00 54.79 56.22 3fl5 n ASP 37 Cb 0.31 -0.48 0.54 0.00 -0.02 0.00 0.00 41.12 41.47 3fl5 n ASP 37 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3fl5 h ASP 38 N 0.00 0.00 -3.24 -2.24 3.32 -1.81 -3.44 116.42 109.01 3fl5 h ASP 38 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 3fl5 h ASP 38 Cb 0.41 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.58 3fl5 h ASP 38 CO 0.00 0.00 -0.78 -0.31 -1.72 0.00 0.00 179.24 176.43 3fl5 s TYR 39 N -3.42 1.00 -0.11 4.55 2.02 -1.23 -1.30 117.35 118.87 3fl5 s TYR 39 Ca 0.04 -0.46 -0.03 0.00 -0.37 0.00 0.00 57.07 56.24 3fl5 s TYR 39 Cb 0.09 -0.98 -0.03 0.00 -0.40 0.00 0.00 41.96 40.64 3fl5 s TYR 39 CO 0.47 -0.43 0.03 -1.21 -1.57 0.00 0.00 175.55 172.84 3fl5 s GLU 40 N 1.86 3.22 0.03 -0.62 2.02 -0.56 -4.93 118.70 119.73 3fl5 s GLU 40 Ca 0.04 -0.37 -0.30 0.00 0.02 0.00 0.00 54.97 54.36 3fl5 s GLU 40 Cb -0.13 -2.91 -0.07 0.00 0.10 0.00 0.00 34.13 31.12 3fl5 s GLU 40 CO -0.07 0.63 1.47 0.08 0.02 0.00 0.00 175.26 177.40 3fl5 s VAL 41 N -0.67 3.46 -0.25 2.63 1.01 -1.26 -1.27 120.40 124.05 3fl5 s VAL 41 Ca 0.11 0.90 -0.16 0.00 0.00 0.00 0.00 61.98 62.82 3fl5 s VAL 41 Cb -0.12 -3.58 -0.15 0.00 0.00 0.00 0.00 36.38 32.54 3fl5 s VAL 41 CO 0.02 0.01 -0.14 0.52 0.00 0.00 0.00 175.10 175.51 3fl5 n VAL 42 N 4.60 1.53 -3.61 2.92 0.31 0.23 -4.94 118.33 119.37 3fl5 n VAL 42 Ca 0.14 -0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 64.08 3fl5 n VAL 42 Cb 0.43 -1.93 -0.07 0.00 -0.91 0.00 0.00 33.84 31.36 3fl5 n VAL 42 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3fl5 s ARG 43 N -2.46 0.72 0.15 5.55 3.52 -0.97 -5.02 118.95 120.45 3fl5 s ARG 43 Ca -0.35 0.65 -0.31 0.00 -0.13 0.00 0.00 55.73 55.59 3fl5 s ARG 43 Cb 0.11 0.35 -0.09 0.00 -1.56 0.00 0.00 34.95 33.77 3fl5 s ARG 43 CO 0.53 -0.13 1.42 0.21 -0.81 0.00 0.00 175.30 176.52 3fl5 s LYS 44 N -0.08 4.30 -0.01 5.12 2.20 -1.26 -0.34 119.74 129.67 3fl5 s LYS 44 Ca -0.01 2.15 0.04 0.00 -0.36 0.00 0.00 55.97 57.79 3fl5 s LYS 44 Cb -0.04 -3.21 -0.06 0.00 -1.51 0.00 0.00 37.83 33.01 3fl5 s LYS 44 CO -0.00 -0.44 0.09 1.33 -0.36 0.00 0.00 175.35 175.97 3fl5 n VAL 45 N 3.64 0.00 0.00 4.02 0.24 -0.47 -4.84 118.33 120.92 3fl5 n VAL 45 Ca 0.11 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3fl5 n VAL 45 Cb 0.41 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 3fl5 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fl5 n GLY 46 N 2.19 -0.61 2.99 7.63 0.00 -1.05 -5.03 105.19 111.31 3fl5 n GLY 46 Ca -0.01 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 3fl5 n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fl5 s ARG 47 N -1.34 0.34 0.00 1.61 1.70 -1.26 -1.55 118.95 118.44 3fl5 s ARG 47 Ca 0.00 -0.56 0.00 0.00 -0.47 0.00 0.00 55.73 54.70 3fl5 s ARG 47 Cb 0.00 -0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.34 3fl5 s ARG 47 CO 0.00 -0.01 0.00 0.41 -1.08 0.00 0.00 175.30 174.62 3fl5 n GLY 48 N 1.81 1.41 0.11 3.88 0.00 -1.06 -4.93 105.19 106.42 3fl5 n GLY 48 Ca -0.22 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.66 3fl5 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fl5 h LYS 49 N 0.00 -0.04 -1.23 1.61 1.79 -2.01 -3.30 116.57 113.39 3fl5 h LYS 49 Ca 0.00 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 58.00 3fl5 h LYS 49 Cb 0.00 0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 30.25 3fl5 h LYS 49 CO 0.00 -0.03 -0.95 0.66 -1.08 0.00 0.00 179.45 178.06 3fl5 n TYR 50 N -5.20 2.34 -3.56 -1.35 4.02 -1.26 -5.09 117.16 107.06 3fl5 n TYR 50 Ca -0.03 -2.91 -0.10 0.00 -0.01 0.00 0.00 57.90 54.85 3fl5 n TYR 50 Cb 0.13 -0.22 -0.02 0.00 -0.02 0.00 0.00 39.34 39.20 3fl5 n TYR 50 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3fl5 s SER 51 N -3.37 -0.44 -0.06 7.72 1.04 -1.25 -1.14 113.70 116.21 3fl5 s SER 51 Ca 0.38 -0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.69 3fl5 s SER 51 Cb 0.42 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 67.12 3fl5 s SER 51 CO -0.08 -1.01 -0.19 -1.61 0.98 0.00 0.00 173.24 171.34 3fl5 s GLU 52 N -3.67 2.58 -0.04 4.02 2.02 -0.17 -2.55 118.70 120.88 3fl5 s GLU 52 Ca 0.05 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.30 3fl5 s GLU 52 Cb -0.02 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 3fl5 s GLU 52 CO -0.07 0.49 -0.19 0.08 0.02 0.00 0.00 175.26 175.59 3fl5 s VAL 53 N -0.40 1.57 -0.01 2.63 1.01 -0.60 -0.51 120.40 124.10 3fl5 s VAL 53 Ca 0.04 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3fl5 s VAL 53 Cb -0.12 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3fl5 s VAL 53 CO 0.02 0.45 -0.09 -0.36 0.00 0.00 0.00 175.10 175.12 3fl5 s PHE 54 N -0.07 0.78 0.24 5.22 0.40 0.91 -1.37 117.98 124.09 3fl5 s PHE 54 Ca -0.02 -0.15 -0.30 0.00 -0.60 0.00 0.00 56.93 55.86 3fl5 s PHE 54 Cb -0.11 -0.50 -0.09 0.00 0.51 0.00 0.00 43.02 42.82 3fl5 s PHE 54 CO 0.02 -0.01 1.34 -2.00 0.70 0.00 0.00 175.22 175.27 3fl5 s GLU 55 N -0.23 4.36 0.26 0.44 2.12 0.53 -0.08 118.70 126.10 3fl5 s GLU 55 Ca 0.03 2.15 0.04 0.00 0.36 0.00 0.00 54.97 57.55 3fl5 s GLU 55 Cb -0.03 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 3fl5 s GLU 55 CO -0.00 -0.27 0.16 0.41 -0.54 0.00 0.00 175.26 175.01 3fl5 n GLY 56 N 2.00 3.35 2.89 -1.50 0.00 0.42 -0.60 105.19 111.75 3fl5 n GLY 56 Ca 0.05 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 3fl5 n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fl5 s ILE 57 N -2.81 -0.00 -0.40 -0.61 2.07 -0.40 -1.80 121.20 117.26 3fl5 s ILE 57 Ca 0.22 0.01 -0.25 0.00 -1.41 0.00 0.00 60.65 59.21 3fl5 s ILE 57 Cb 0.01 -0.04 0.02 0.00 0.13 0.00 0.00 42.46 42.58 3fl5 s ILE 57 CO 0.16 0.00 0.92 0.21 -1.91 0.00 0.00 174.94 174.31 3fl5 s ASN 58 N 0.06 6.61 0.47 4.50 3.84 0.68 -1.49 114.94 129.61 3fl5 s ASN 58 Ca -0.00 0.42 0.31 0.00 0.21 0.00 0.00 52.86 53.80 3fl5 s ASN 58 Cb -0.01 -2.45 1.33 0.00 -0.55 0.00 0.00 41.25 39.56 3fl5 s ASN 58 CO -0.00 -0.91 1.93 -0.37 -2.79 0.00 0.00 177.10 174.96 3fl5 h VAL 59 N 5.90 0.00 -0.23 -5.21 -1.51 -1.52 0.44 116.25 114.11 3fl5 h VAL 59 Ca -0.24 -0.39 -0.12 0.00 -1.23 0.00 0.00 66.70 64.72 3fl5 h VAL 59 Cb 1.08 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 3fl5 h VAL 59 CO 0.99 0.00 -0.34 0.78 -1.23 0.00 0.00 177.57 177.77 3fl5 h ASN 60 N 0.00 0.70 0.00 4.19 4.21 -1.92 -3.39 115.58 119.37 3fl5 h ASN 60 Ca 0.00 -0.51 0.00 0.00 1.21 0.00 0.00 56.30 57.00 3fl5 h ASN 60 Cb 0.43 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 3fl5 h ASN 60 CO 0.00 1.08 0.00 -0.46 -1.29 0.00 0.00 177.43 176.76 3fl5 n ASN 61 N -4.27 1.02 -0.85 5.81 0.23 -1.10 -5.01 115.26 111.09 3fl5 n ASN 61 Ca -0.05 -1.37 -0.11 0.00 -0.53 0.00 0.00 54.58 52.52 3fl5 n ASN 61 Cb 0.50 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.15 3fl5 n ASN 61 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3fl5 n ASN 62 N -0.19 -5.31 -4.74 0.53 3.02 0.15 -4.98 115.26 103.75 3fl5 n ASN 62 Ca 0.00 0.28 -0.41 0.00 -0.03 0.00 0.00 54.58 54.42 3fl5 n ASN 62 Cb 0.23 -3.79 -0.04 0.00 -0.61 0.00 0.00 39.78 35.58 3fl5 n ASN 62 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fl5 s GLU 63 N -2.83 4.57 0.62 3.52 0.41 -1.22 -4.75 118.70 119.02 3fl5 s GLU 63 Ca 0.00 1.76 -0.18 0.00 -0.41 0.00 0.00 54.97 56.15 3fl5 s GLU 63 Cb 0.00 -3.26 -0.02 0.00 -1.78 0.00 0.00 34.13 29.07 3fl5 s GLU 63 CO 0.00 0.04 1.18 0.15 -0.49 0.00 0.00 175.26 176.14 3fl5 s LYS 64 N -0.41 2.83 0.28 1.61 1.02 -1.26 -0.23 119.74 123.58 3fl5 s LYS 64 Ca 0.50 1.71 -0.10 0.00 0.02 0.00 0.00 55.97 58.10 3fl5 s LYS 64 Cb -0.30 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 3fl5 s LYS 64 CO 0.36 -1.29 0.50 0.00 -0.92 0.00 0.00 175.35 174.00 3fl5 s ILE 66 N -3.65 4.04 -0.29 0.00 -1.09 -0.42 -0.43 121.20 119.36 3fl5 s ILE 66 Ca 0.24 -0.30 -0.07 0.00 -2.23 0.00 0.00 60.65 58.30 3fl5 s ILE 66 Cb -0.01 -2.80 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 3fl5 s ILE 66 CO 0.12 0.46 0.07 -0.63 -1.23 0.00 0.00 174.94 173.74 3fl5 s ILE 67 N 0.59 3.93 -0.41 2.92 1.01 0.89 -1.02 121.20 129.12 3fl5 s ILE 67 Ca -0.01 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 3fl5 s ILE 67 Cb -0.14 -3.02 0.08 0.00 0.01 0.00 0.00 42.46 39.40 3fl5 s ILE 67 CO 0.02 0.09 0.23 -0.75 0.00 0.00 0.00 174.94 174.54 3fl5 s LYS 68 N 1.50 2.47 -0.30 2.79 2.20 0.22 -0.06 119.74 128.56 3fl5 s LYS 68 Ca 0.03 -1.52 -0.18 0.00 -0.36 0.00 0.00 55.97 53.94 3fl5 s LYS 68 Cb -0.17 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.43 3fl5 s LYS 68 CO 0.02 -0.96 0.50 0.42 -0.36 0.00 0.00 175.35 174.97 3fl5 s ILE 69 N 1.35 5.06 0.14 5.43 1.01 0.34 -0.73 121.20 133.80 3fl5 s ILE 69 Ca 0.03 0.61 -0.26 0.00 0.00 0.00 0.00 60.65 61.03 3fl5 s ILE 69 Cb -0.23 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 3fl5 s ILE 69 CO 0.00 -0.04 0.80 -0.76 0.00 0.00 0.00 174.94 174.95 3fl5 s LEU 70 N 2.32 4.56 0.63 2.97 1.43 -0.87 -1.00 118.68 128.72 3fl5 s LEU 70 Ca 0.19 1.64 -0.15 0.00 -1.03 0.00 0.00 54.13 54.78 3fl5 s LEU 70 Cb -0.16 -3.33 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 3fl5 s LEU 70 CO 0.11 0.15 1.07 -0.54 0.23 0.00 0.00 176.35 177.37 3fl5 s LYS 71 N -0.84 3.09 0.01 1.70 1.02 -0.29 -4.62 119.74 119.81 3fl5 s LYS 71 Ca 0.37 1.23 -0.33 0.00 0.02 0.00 0.00 55.97 57.27 3fl5 s LYS 71 Cb -0.23 -2.00 -0.11 0.00 -0.52 0.00 0.00 37.83 34.97 3fl5 s LYS 71 CO 0.26 -1.00 1.85 -2.30 -0.92 0.00 0.00 175.35 173.24 3fl5 n PRO 72 N -2.31 2.44 -3.88 -1.68 -0.02 -1.26 -4.94 135.00 123.35 3fl5 n PRO 72 Ca 0.09 0.89 -0.09 0.00 -2.02 0.00 0.00 63.50 62.37 3fl5 n PRO 72 Cb 0.53 -2.76 -0.07 0.00 -0.02 0.00 0.00 33.50 31.18 3fl5 n PRO 72 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fl5 s VAL 73 N 3.49 0.11 0.59 -1.45 0.11 -1.26 -5.16 120.40 116.83 3fl5 s VAL 73 Ca 0.88 -1.22 -0.20 0.00 -2.93 0.00 0.00 61.98 58.51 3fl5 s VAL 73 Cb -0.60 -1.51 -0.03 0.00 -1.53 0.00 0.00 36.38 32.71 3fl5 s VAL 73 CO 0.45 -0.50 1.33 -0.54 -3.33 0.00 0.00 175.10 172.51 3fl5 s LYS 74 N -3.90 2.86 0.33 1.54 3.01 -1.26 -4.88 119.74 117.44 3fl5 s LYS 74 Ca 0.09 2.15 0.04 0.00 -1.01 0.00 0.00 55.97 57.24 3fl5 s LYS 74 Cb 0.04 -2.06 0.65 0.00 -1.01 0.00 0.00 37.83 35.46 3fl5 s LYS 74 CO -0.07 -1.38 1.92 -0.22 0.51 0.00 0.00 175.35 176.11 3fl5 h LYS 75 N 1.02 0.85 -0.44 1.68 1.63 -2.01 -2.31 116.57 117.00 3fl5 h LYS 75 Ca -0.51 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.28 3fl5 h LYS 75 Cb 1.32 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.72 3fl5 h LYS 75 CO 0.55 0.56 0.22 -0.22 -3.45 0.00 0.00 179.45 177.11 3fl5 h LYS 76 N 0.87 0.42 -0.60 1.90 3.64 -1.98 -2.46 116.57 118.36 3fl5 h LYS 76 Ca 0.37 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.63 3fl5 h LYS 76 Cb 0.31 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3fl5 h LYS 76 CO -0.14 0.28 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.10 3fl5 h LYS 77 N 0.43 1.05 -0.30 1.90 3.64 -1.79 -1.68 116.57 119.83 3fl5 h LYS 77 Ca 0.19 -0.33 -0.14 0.00 -1.27 0.00 0.00 60.65 59.10 3fl5 h LYS 77 Cb 0.10 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3fl5 h LYS 77 CO -0.14 1.03 -0.38 -0.84 -2.27 0.00 0.00 179.45 176.85 3fl5 h ILE 78 N 0.96 1.29 -0.74 2.00 3.07 -1.40 -2.39 117.51 120.30 3fl5 h ILE 78 Ca 0.17 -1.54 -0.06 0.00 1.55 0.00 0.00 64.86 64.98 3fl5 h ILE 78 Cb 0.55 1.47 -0.03 0.00 -0.27 0.00 0.00 36.82 38.54 3fl5 h ILE 78 CO 0.03 0.50 0.22 0.11 -1.05 0.00 0.00 178.15 177.96 3fl5 h LYS 79 N 0.57 1.15 0.04 0.16 1.57 -1.29 -1.80 116.57 116.96 3fl5 h LYS 79 Ca 0.05 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3fl5 h LYS 79 Cb 0.91 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3fl5 h LYS 79 CO 0.08 0.98 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.76 3fl5 h ARG 80 N 1.09 -0.17 -0.25 3.15 2.43 -1.13 -0.41 114.38 119.09 3fl5 h ARG 80 Ca 0.24 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3fl5 h ARG 80 Cb 0.32 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3fl5 h ARG 80 CO -0.01 -0.11 0.15 1.49 -1.51 0.00 0.00 179.97 179.98 3fl5 h GLU 81 N -0.18 0.34 -0.28 0.20 4.81 -1.30 -1.83 114.58 116.34 3fl5 h GLU 81 Ca 0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3fl5 h GLU 81 Cb 0.20 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3fl5 h GLU 81 CO -0.07 0.26 0.12 0.82 -0.73 0.00 0.00 179.01 179.41 3fl5 h ILE 82 N 0.32 1.16 -0.24 2.32 2.04 -1.20 -0.77 117.51 121.13 3fl5 h ILE 82 Ca 0.09 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3fl5 h ILE 82 Cb 0.00 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3fl5 h ILE 82 CO -0.02 0.17 0.12 0.50 0.00 0.00 0.00 178.15 178.92 3fl5 h LYS 83 N 0.30 0.35 -0.72 2.37 1.63 -1.04 0.01 116.57 119.47 3fl5 h LYS 83 Ca 0.09 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 3fl5 h LYS 83 Cb 0.15 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.67 3fl5 h LYS 83 CO -0.01 0.33 0.44 0.82 -3.45 0.00 0.00 179.45 177.59 3fl5 h ILE 84 N 0.27 1.06 -0.46 2.00 2.04 -1.22 0.71 117.51 121.92 3fl5 h ILE 84 Ca 0.08 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 3fl5 h ILE 84 Cb 0.10 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3fl5 h ILE 84 CO -0.01 0.15 -0.00 -0.07 0.00 0.00 0.00 178.15 178.22 3fl5 h LEU 85 N 0.84 0.72 -0.28 1.44 3.38 -0.89 -1.00 115.31 119.53 3fl5 h LEU 85 Ca 0.30 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 3fl5 h LEU 85 Cb 0.08 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3fl5 h LEU 85 CO -0.13 0.79 -0.46 1.56 0.09 0.00 0.00 178.44 180.28 3fl5 h GLN 86 N 0.70 0.80 -0.51 1.13 4.20 -0.46 -3.14 115.11 117.83 3fl5 h GLN 86 Ca 0.14 -0.49 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 3fl5 h GLN 86 Cb 0.44 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 3fl5 h GLN 86 CO 0.02 1.12 0.27 -0.91 -0.67 0.00 0.00 178.83 178.66 3fl5 h ASN 87 N 0.57 0.62 -2.91 1.46 2.35 -0.67 -3.46 115.58 113.54 3fl5 h ASN 87 Ca 0.02 -0.04 -0.77 0.00 -0.55 0.00 0.00 56.30 54.96 3fl5 h ASN 87 Cb 1.06 -0.16 -0.23 0.00 0.05 0.00 0.00 38.32 39.05 3fl5 h ASN 87 CO 0.11 0.51 0.86 -0.76 -1.65 0.00 0.00 177.43 176.50 3fl5 s LEU 88 N -9.50 5.74 -1.00 1.61 1.43 -0.40 -4.96 118.68 111.60 3fl5 s LEU 88 Ca -0.09 -3.28 -0.18 0.00 -1.03 0.00 0.00 54.13 49.55 3fl5 s LEU 88 Cb 0.17 -2.30 0.14 0.00 0.03 0.00 0.00 46.19 44.23 3fl5 s LEU 88 CO 0.76 -0.52 1.21 -0.83 0.23 0.00 0.00 176.35 177.20 3fl5 s GLY 90 N 2.07 2.02 0.88 -3.19 0.00 -1.26 -4.88 107.32 102.96 3fl5 s GLY 90 Ca 0.36 -2.90 -0.13 0.00 0.00 0.00 0.00 44.72 42.06 3fl5 s GLY 90 CO -0.04 2.04 1.17 -0.32 0.00 0.00 0.00 173.10 175.94 3fl5 s GLY 91 N 3.48 1.60 0.04 0.20 0.00 -1.26 -4.95 107.32 106.42 3fl5 s GLY 91 Ca 0.35 -0.63 -0.30 0.00 0.00 0.00 0.00 44.72 44.14 3fl5 s GLY 91 CO -0.07 -0.08 1.85 2.56 0.00 0.00 0.00 173.10 177.36 3fl5 s PRO 92 N -5.44 4.15 -1.48 2.90 0.04 -1.26 -2.61 135.00 131.30 3fl5 s PRO 92 Ca 0.64 2.49 0.00 0.00 0.04 0.00 0.00 61.00 64.17 3fl5 s PRO 92 Cb -0.12 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.44 3fl5 s PRO 92 CO 0.52 -0.89 0.00 0.09 0.04 0.00 0.00 177.00 176.75 3fl5 n ASN 93 N 6.94 -4.68 -4.82 6.66 3.02 -1.26 -3.47 115.26 117.65 3fl5 n ASN 93 Ca 0.19 0.33 -0.38 0.00 -0.03 0.00 0.00 54.58 54.68 3fl5 n ASN 93 Cb 0.41 -3.45 -0.06 0.00 -0.61 0.00 0.00 39.78 36.07 3fl5 n ASN 93 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fl5 s ILE 94 N -2.54 5.06 0.46 2.41 -1.09 -1.07 -0.38 121.20 124.05 3fl5 s ILE 94 Ca 0.00 0.83 -0.24 0.00 -2.23 0.00 0.00 60.65 59.01 3fl5 s ILE 94 Cb 0.00 -3.71 -0.09 0.00 -1.58 0.00 0.00 42.46 37.08 3fl5 s ILE 94 CO 0.00 0.55 1.17 0.55 -1.23 0.00 0.00 174.94 175.97 3fl5 n VAL 95 N 2.07 2.81 -3.51 2.92 3.14 -1.10 -4.81 118.33 119.86 3fl5 n VAL 95 Ca -0.13 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.33 3fl5 n VAL 95 Cb 0.52 -1.41 -0.10 0.00 -1.06 0.00 0.00 33.84 31.80 3fl5 n VAL 95 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3fl5 s LYS 96 N -2.30 2.90 -0.12 1.45 1.02 -1.26 -4.98 119.74 116.45 3fl5 s LYS 96 Ca 0.65 -1.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.25 3fl5 s LYS 96 Cb -0.50 -3.90 -0.03 0.00 -0.52 0.00 0.00 37.83 32.88 3fl5 s LYS 96 CO 0.55 -0.77 1.44 -1.17 -0.92 0.00 0.00 175.35 174.48 3fl5 s LEU 97 N 1.62 4.24 -0.21 3.17 2.96 -1.26 -1.22 118.68 127.98 3fl5 s LEU 97 Ca 0.04 1.94 0.06 0.00 -0.22 0.00 0.00 54.13 55.94 3fl5 s LEU 97 Cb -0.20 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.79 3fl5 s LEU 97 CO 0.08 -0.84 -0.12 0.18 -1.32 0.00 0.00 176.35 174.34 3fl5 n LEU 98 N 6.85 2.10 -3.45 -0.68 4.32 0.24 -4.96 117.00 121.41 3fl5 n LEU 98 Ca 0.15 -0.08 -0.13 0.00 -0.02 0.00 0.00 56.01 55.93 3fl5 n LEU 98 Cb 0.44 -0.42 -0.03 0.00 -1.62 0.00 0.00 43.42 41.79 3fl5 n LEU 98 CO 0.59 0.74 0.44 -0.62 -1.22 0.00 0.00 177.39 177.32 3fl5 s ASP 99 N -5.84 -0.57 -0.08 -1.43 -1.08 -1.04 -5.01 116.67 101.63 3fl5 s ASP 99 Ca -0.23 0.17 0.01 0.00 -0.52 0.00 0.00 52.55 51.97 3fl5 s ASP 99 Cb 0.07 0.56 0.02 0.00 -1.46 0.00 0.00 42.92 42.11 3fl5 s ASP 99 CO 0.57 -0.85 -0.10 -0.63 0.52 0.00 0.00 175.17 174.68 3fl5 s ILE 100 N -3.08 1.03 0.30 4.11 1.01 -1.26 -0.51 121.20 122.80 3fl5 s ILE 100 Ca -0.01 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.30 3fl5 s ILE 100 Cb -0.01 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 3fl5 s ILE 100 CO -0.07 0.34 0.21 0.68 0.00 0.00 0.00 174.94 176.10 3fl5 s VAL 101 N 1.00 0.11 0.05 2.92 -7.23 -0.51 -0.22 120.40 116.52 3fl5 s VAL 101 Ca -0.08 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.86 3fl5 s VAL 101 Cb -0.15 -2.49 0.05 0.00 0.56 0.00 0.00 36.38 34.35 3fl5 s VAL 101 CO -0.00 0.00 0.53 0.00 -0.31 0.00 0.00 175.10 175.32 3fl5 s ARG 102 N -3.72 1.05 0.02 4.82 1.70 -1.26 -0.03 118.95 121.52 3fl5 s ARG 102 Ca 0.38 -0.21 -0.30 0.00 -0.47 0.00 0.00 55.73 55.13 3fl5 s ARG 102 Cb 0.04 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.85 3fl5 s ARG 102 CO 0.21 -0.38 1.31 0.34 -1.08 0.00 0.00 175.30 175.70 3fl5 s ASP 103 N -1.95 6.94 0.20 -2.89 2.15 -0.65 -4.65 116.67 115.82 3fl5 s ASP 103 Ca -0.05 2.07 -0.10 0.00 0.43 0.00 0.00 52.55 54.89 3fl5 s ASP 103 Cb -0.01 -2.57 0.21 0.00 -0.30 0.00 0.00 42.92 40.25 3fl5 s ASP 103 CO -0.01 -0.62 1.81 -0.61 -0.17 0.00 0.00 175.17 175.57 3fl5 h GLN 104 N 7.35 0.67 0.08 4.34 4.15 -1.96 0.14 115.11 129.88 3fl5 h GLN 104 Ca -0.39 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 58.99 3fl5 h GLN 104 Cb 1.19 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.73 3fl5 h GLN 104 CO 0.87 0.45 -0.04 1.25 -1.93 0.00 0.00 178.83 179.43 3fl5 h HIS 105 N 0.69 -0.10 0.00 3.99 2.76 -2.00 -3.36 115.15 117.14 3fl5 h HIS 105 Ca 0.28 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 3fl5 h HIS 105 Cb 0.13 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.12 3fl5 h HIS 105 CO -0.07 0.45 -0.77 -1.13 -1.30 0.00 0.00 177.93 175.11 3fl5 n SER 106 N -4.80 0.63 -1.72 3.26 3.41 -1.25 -4.97 113.62 108.18 3fl5 n SER 106 Ca -0.07 -0.27 -0.19 0.00 -0.26 0.00 0.00 58.87 58.07 3fl5 n SER 106 Cb 0.29 0.53 -0.06 0.00 -0.26 0.00 0.00 64.21 64.70 3fl5 n SER 106 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fl5 n LYS 107 N -1.75 -1.42 -2.53 4.33 5.02 0.49 -4.97 118.16 117.33 3fl5 n LYS 107 Ca 0.04 1.11 -0.43 0.00 -2.02 0.00 0.00 58.31 57.01 3fl5 n LYS 107 Cb 0.39 -5.52 -0.02 0.00 -0.02 0.00 0.00 35.03 29.85 3fl5 n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3fl5 s THR 108 N -2.80 4.44 0.31 -0.18 -4.23 -1.25 -4.71 115.64 107.22 3fl5 s THR 108 Ca 0.00 1.74 -0.14 0.00 -1.18 0.00 0.00 61.69 62.11 3fl5 s THR 108 Cb 0.00 -4.12 -0.09 0.00 1.34 0.00 0.00 72.50 69.63 3fl5 s THR 108 CO 0.00 -0.09 0.71 -2.16 -0.54 0.00 0.00 174.62 172.54 3fl5 s PRO 109 N 2.86 3.97 -0.08 3.99 0.04 -1.26 -1.63 135.00 142.88 3fl5 s PRO 109 Ca 0.52 0.61 0.02 0.00 0.04 0.00 0.00 61.00 62.19 3fl5 s PRO 109 Cb -0.20 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.89 3fl5 s PRO 109 CO 0.15 0.17 -0.15 -1.12 0.04 0.00 0.00 177.00 176.10 3fl5 s SER 110 N -2.31 2.15 -0.05 6.66 0.01 0.96 -2.06 113.70 119.07 3fl5 s SER 110 Ca 0.53 -0.37 -0.15 0.00 1.31 0.00 0.00 55.95 57.27 3fl5 s SER 110 Cb -0.10 -0.98 -0.05 0.00 0.21 0.00 0.00 66.02 65.10 3fl5 s SER 110 CO 0.18 0.05 0.40 -0.76 0.41 0.00 0.00 173.24 173.52 3fl5 s LEU 111 N 0.71 4.40 -0.17 2.44 1.43 0.10 -1.42 118.68 126.16 3fl5 s LEU 111 Ca -0.13 0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 53.81 3fl5 s LEU 111 Cb -0.16 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.49 3fl5 s LEU 111 CO 0.03 0.23 -0.11 -0.63 0.23 0.00 0.00 176.35 176.10 3fl5 s ILE 112 N -0.49 3.02 0.30 -0.59 -1.09 0.34 -0.61 121.20 122.07 3fl5 s ILE 112 Ca 0.23 -0.64 0.11 0.00 -2.23 0.00 0.00 60.65 58.12 3fl5 s ILE 112 Cb -0.16 -2.31 -0.05 0.00 -1.58 0.00 0.00 42.46 38.36 3fl5 s ILE 112 CO 0.11 0.49 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.80 3fl5 s PHE 113 N 0.91 2.36 0.50 3.97 0.08 -0.19 0.82 117.98 126.43 3fl5 s PHE 113 Ca -0.02 -0.36 -0.22 0.00 0.12 0.00 0.00 56.93 56.44 3fl5 s PHE 113 Cb -0.15 -1.12 -0.08 0.00 -0.57 0.00 0.00 43.02 41.11 3fl5 s PHE 113 CO -0.00 0.67 1.09 -1.91 -0.10 0.00 0.00 175.22 174.96 3fl5 n GLU 114 N -0.70 1.36 -1.82 0.44 2.13 -0.36 -1.30 120.64 120.39 3fl5 n GLU 114 Ca -0.05 0.50 -0.42 0.00 0.66 0.00 0.00 57.16 57.85 3fl5 n GLU 114 Cb 0.61 -2.22 -0.03 0.00 0.27 0.00 0.00 31.44 30.07 3fl5 n GLU 114 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3fl5 s TYR 115 N -1.35 2.93 -0.11 4.31 5.04 -1.26 -4.22 117.35 122.70 3fl5 s TYR 115 Ca 0.68 0.55 0.02 0.00 -2.44 0.00 0.00 57.07 55.88 3fl5 s TYR 115 Cb -0.48 -4.04 0.01 0.00 0.35 0.00 0.00 41.96 37.80 3fl5 s TYR 115 CO 0.53 -3.81 -0.16 0.08 -1.34 0.00 0.00 175.55 170.85 3fl5 s VAL 116 N 0.88 1.55 0.30 3.14 1.01 -1.26 -4.98 120.40 121.04 3fl5 s VAL 116 Ca 0.70 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 3fl5 s VAL 116 Cb -0.47 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 3fl5 s VAL 116 CO 0.35 0.45 0.62 0.21 0.00 0.00 0.00 175.10 176.73 3fl5 s ASN 117 N 0.99 6.53 -0.11 3.32 3.84 -1.26 -5.01 114.94 123.24 3fl5 s ASN 117 Ca -0.06 0.90 -0.01 0.00 0.21 0.00 0.00 52.86 53.90 3fl5 s ASN 117 Cb -0.15 -2.22 0.03 0.00 -0.55 0.00 0.00 41.25 38.36 3fl5 s ASN 117 CO -0.02 -0.22 -0.05 0.21 -2.79 0.00 0.00 177.10 174.24 3fl5 s ASN 118 N -2.91 2.09 -0.33 -4.21 2.47 -1.26 -4.19 114.94 106.60 3fl5 s ASN 118 Ca 0.47 -0.29 -0.13 0.00 0.42 0.00 0.00 52.86 53.34 3fl5 s ASN 118 Cb -0.11 -0.72 -0.02 0.00 -1.45 0.00 0.00 41.25 38.95 3fl5 s ASN 118 CO 0.27 -0.15 0.23 -0.89 -3.72 0.00 0.00 177.10 172.84 3fl5 s THR 119 N 1.79 5.25 -0.30 -5.21 2.01 -0.84 -5.02 115.64 113.31 3fl5 s THR 119 Ca 0.04 -0.20 -0.41 0.00 0.31 0.00 0.00 61.69 61.44 3fl5 s THR 119 Cb -0.13 -3.68 -0.16 0.00 0.01 0.00 0.00 72.50 68.54 3fl5 s THR 119 CO -0.07 0.01 1.72 -0.67 -0.69 0.00 0.00 174.62 174.93 3fl5 n ASP 120 N 5.10 2.24 0.06 3.53 2.03 -1.26 -4.68 116.55 123.57 3fl5 n ASP 120 Ca -0.13 1.09 0.02 0.00 0.52 0.00 0.00 54.79 56.29 3fl5 n ASP 120 Cb 0.50 -1.11 0.37 0.00 -0.72 0.00 0.00 41.12 40.16 3fl5 n ASP 120 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3fl5 h PHE 121 N 6.93 0.40 0.00 -0.67 -0.00 -1.95 -0.17 116.94 121.48 3fl5 h PHE 121 Ca -0.46 -0.03 -0.04 0.00 -0.00 0.00 0.00 57.97 57.43 3fl5 h PHE 121 Cb 1.32 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 3fl5 h PHE 121 CO 0.76 0.41 -0.21 0.87 -0.00 0.00 0.00 178.31 180.13 3fl5 h LYS 122 N 0.38 0.00 0.04 6.09 1.79 -1.99 -0.41 116.57 122.47 3fl5 h LYS 122 Ca 0.09 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.23 3fl5 h LYS 122 Cb 0.26 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.86 3fl5 h LYS 122 CO 0.01 0.21 -1.92 0.28 -1.08 0.00 0.00 179.45 176.95 3fl5 n VAL 123 N -4.19 1.64 -0.03 0.50 0.31 -0.93 -4.56 118.33 111.07 3fl5 n VAL 123 Ca -0.02 -0.74 -0.13 0.00 -0.01 0.00 0.00 64.34 63.43 3fl5 n VAL 123 Cb 0.28 -1.23 -0.10 0.00 -0.91 0.00 0.00 33.84 31.88 3fl5 n VAL 123 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3fl5 h LEU 124 N 0.02 0.10 -0.89 7.52 5.85 -0.75 -3.36 115.31 123.80 3fl5 h LEU 124 Ca -0.38 -0.58 0.10 0.00 0.84 0.00 0.00 57.88 57.86 3fl5 h LEU 124 Cb 2.04 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.96 3fl5 h LEU 124 CO 0.07 0.67 0.53 1.88 -0.34 0.00 0.00 178.44 181.25 3fl5 h TYR 125 N -0.45 0.97 -0.03 1.25 -1.99 -1.32 -0.89 116.97 114.50 3fl5 h TYR 125 Ca 0.00 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.77 3fl5 h TYR 125 Cb 0.65 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 39.08 3fl5 h TYR 125 CO 0.12 0.40 0.04 -1.35 -0.00 0.00 0.00 178.16 177.38 3fl5 h PRO 126 N 0.88 0.00 -0.02 4.88 0.11 -1.81 -2.62 132.00 133.42 3fl5 h PRO 126 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3fl5 h PRO 126 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 3fl5 h PRO 126 CO -0.25 0.00 -0.26 0.25 -0.21 0.00 0.00 178.00 177.53 3fl5 n THR 127 N -3.71 0.00 -2.19 -1.15 -2.24 -0.35 -4.95 114.28 99.69 3fl5 n THR 127 Ca -0.02 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 3fl5 n THR 127 Cb 0.13 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 3fl5 n THR 127 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fl5 s LEU 128 N -2.33 4.40 0.59 3.22 1.43 -0.99 -5.02 118.68 119.99 3fl5 s LEU 128 Ca 0.25 2.41 -0.09 0.00 -1.03 0.00 0.00 54.13 55.66 3fl5 s LEU 128 Cb 0.19 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 3fl5 s LEU 128 CO 0.48 -0.57 0.97 0.42 0.23 0.00 0.00 176.35 177.88 3fl5 s THR 129 N 0.29 4.55 0.28 5.49 -4.23 -1.26 -4.90 115.64 115.85 3fl5 s THR 129 Ca 0.58 0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 61.68 3fl5 s THR 129 Cb -0.37 -3.80 0.36 0.00 1.34 0.00 0.00 72.50 70.04 3fl5 s THR 129 CO 0.37 -0.97 1.60 -0.78 -0.54 0.00 0.00 174.62 174.30 3fl5 h ASP 130 N -0.22 -0.46 -0.38 3.99 1.82 -1.96 -0.87 116.42 118.35 3fl5 h ASP 130 Ca -0.45 0.25 -0.03 0.00 -0.39 0.00 0.00 57.03 56.41 3fl5 h ASP 130 Cb 1.21 0.44 -0.02 0.00 0.68 0.00 0.00 39.33 41.64 3fl5 h ASP 130 CO 0.62 -0.28 0.13 0.22 -1.61 0.00 0.00 179.24 178.33 3fl5 h TYR 131 N 0.05 0.60 -0.92 0.28 3.20 -1.96 -2.91 116.97 115.32 3fl5 h TYR 131 Ca 0.51 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 62.41 3fl5 h TYR 131 Cb 0.98 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 3fl5 h TYR 131 CO -0.49 0.56 0.59 -0.44 -1.64 0.00 0.00 178.16 176.74 3fl5 h ASP 132 N 0.47 0.89 -0.56 -2.11 3.32 -1.54 0.89 116.42 117.78 3fl5 h ASP 132 Ca 0.12 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3fl5 h ASP 132 Cb 0.23 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3fl5 h ASP 132 CO -0.01 0.54 -0.02 0.40 -1.72 0.00 0.00 179.24 178.43 3fl5 h ILE 133 N 0.99 1.27 -0.01 0.35 2.04 -1.34 0.18 117.51 120.99 3fl5 h ILE 133 Ca 0.41 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 3fl5 h ILE 133 Cb 0.29 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3fl5 h ILE 133 CO -0.17 0.41 0.00 0.03 0.00 0.00 0.00 178.15 178.43 3fl5 h ARG 134 N 0.88 0.02 0.63 2.37 3.08 -1.17 -2.37 114.38 117.82 3fl5 h ARG 134 Ca 0.16 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3fl5 h ARG 134 Cb 0.57 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3fl5 h ARG 134 CO 0.03 0.22 -0.51 -0.92 -1.07 0.00 0.00 179.97 177.72 3fl5 h TYR 135 N -0.18 -1.38 -0.39 3.04 3.20 -0.67 -1.72 116.97 118.88 3fl5 h TYR 135 Ca 0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 3fl5 h TYR 135 Cb 0.20 0.52 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 3fl5 h TYR 135 CO -0.01 -0.71 -0.01 1.88 -1.64 0.00 0.00 178.16 177.68 3fl5 h TYR 136 N -1.10 0.65 -0.53 -3.82 0.05 -0.72 -1.20 116.97 110.29 3fl5 h TYR 136 Ca -0.08 -0.08 -0.11 0.00 0.05 0.00 0.00 58.73 58.51 3fl5 h TYR 136 Cb 0.92 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.46 3fl5 h TYR 136 CO -0.20 0.63 -0.09 0.82 -1.05 0.00 0.00 178.16 178.27 3fl5 h ILE 137 N 0.59 1.27 -0.60 -2.88 1.08 -1.43 0.21 117.51 115.74 3fl5 h ILE 137 Ca 0.12 -1.24 0.05 0.00 -0.39 0.00 0.00 64.86 63.40 3fl5 h ILE 137 Cb 0.39 0.98 -0.05 0.00 -3.07 0.00 0.00 36.82 35.06 3fl5 h ILE 137 CO 0.01 0.44 0.33 0.22 -0.69 0.00 0.00 178.15 178.47 3fl5 h TYR 138 N 0.88 0.61 -0.70 1.37 3.20 -0.98 0.20 116.97 121.54 3fl5 h TYR 138 Ca 0.14 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3fl5 h TYR 138 Cb 0.66 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 3fl5 h TYR 138 CO 0.05 0.31 0.21 0.93 -1.64 0.00 0.00 178.16 178.01 3fl5 h GLU 139 N 0.63 1.10 -0.61 1.82 4.39 -0.90 -1.73 114.58 119.27 3fl5 h GLU 139 Ca 0.26 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 3fl5 h GLU 139 Cb 0.13 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3fl5 h GLU 139 CO -0.16 0.94 0.28 1.25 -1.16 0.00 0.00 179.01 180.16 3fl5 h LEU 140 N 1.05 0.82 -1.63 1.33 5.85 -0.49 -2.94 115.31 119.30 3fl5 h LEU 140 Ca 0.23 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3fl5 h LEU 140 Cb 0.31 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3fl5 h LEU 140 CO -0.01 0.74 0.17 -0.07 -0.34 0.00 0.00 178.44 178.94 3fl5 h LEU 141 N 0.85 0.37 -0.51 2.25 3.38 -0.19 -1.36 115.31 120.10 3fl5 h LEU 141 Ca 0.21 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3fl5 h LEU 141 Cb 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3fl5 h LEU 141 CO -0.02 0.30 0.14 0.11 0.09 0.00 0.00 178.44 179.06 3fl5 h LYS 142 N 0.43 0.80 -0.51 1.13 1.57 -1.16 0.00 116.57 118.83 3fl5 h LYS 142 Ca 0.11 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3fl5 h LYS 142 Cb 0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3fl5 h LYS 142 CO -0.02 0.76 0.19 0.00 -0.57 0.00 0.00 179.45 179.81 3fl5 h ALA 143 N 1.01 0.66 -0.21 3.86 0.00 -1.23 -2.03 119.26 121.31 3fl5 h ALA 143 Ca 0.16 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3fl5 h ALA 143 Cb 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fl5 h ALA 143 CO -0.00 0.28 -0.19 -0.07 0.00 0.00 0.00 179.25 179.27 3fl5 h LEU 144 N 0.68 0.53 -0.69 0.00 3.38 -1.20 -1.96 115.31 116.04 3fl5 h LEU 144 Ca 0.17 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3fl5 h LEU 144 Cb 0.22 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3fl5 h LEU 144 CO -0.01 0.89 0.44 -0.78 0.09 0.00 0.00 178.44 179.06 3fl5 h ASP 145 N 0.18 0.74 -0.13 -0.43 3.58 -0.98 -1.06 116.42 118.31 3fl5 h ASP 145 Ca 0.04 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.49 3fl5 h ASP 145 Cb 0.73 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 3fl5 h ASP 145 CO 0.05 0.52 0.06 0.22 -2.88 0.00 0.00 179.24 177.21 3fl5 h TYR 146 N 0.88 0.11 -0.19 0.28 3.20 -1.31 -0.36 116.97 119.58 3fl5 h TYR 146 Ca 0.27 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.98 3fl5 h TYR 146 Cb -0.03 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 3fl5 h TYR 146 CO -0.04 0.06 -0.57 0.00 -1.64 0.00 0.00 178.16 175.97 3fl5 h HIS 148 N 0.45 0.76 0.00 0.00 3.86 -1.08 -0.12 115.15 119.02 3fl5 h HIS 148 Ca 0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3fl5 h HIS 148 Cb 1.13 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.35 3fl5 h HIS 148 CO 0.05 0.52 -0.01 0.66 0.86 0.00 0.00 177.93 180.01 3fl5 h SER 149 N 0.77 0.00 -0.61 2.45 4.64 -0.79 0.12 113.55 120.13 3fl5 h SER 149 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3fl5 h SER 149 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3fl5 h SER 149 CO -0.04 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3fl5 n GLN 150 N -3.17 2.50 -2.14 4.77 1.13 -0.79 -4.95 117.38 114.73 3fl5 n GLN 150 Ca -0.02 -2.32 -0.05 0.00 -1.94 0.00 0.00 57.00 52.67 3fl5 n GLN 150 Cb 0.13 -1.51 -0.00 0.00 0.11 0.00 0.00 30.24 28.97 3fl5 n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fl5 n GLY 151 N 1.53 0.20 3.09 1.08 0.00 0.03 -4.89 105.19 106.23 3fl5 n GLY 151 Ca 0.21 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 3fl5 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fl5 s ILE 152 N -2.31 1.31 -0.04 -0.61 1.01 -0.12 -0.51 121.20 119.94 3fl5 s ILE 152 Ca 0.01 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 3fl5 s ILE 152 Cb -0.00 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 3fl5 s ILE 152 CO 0.01 0.39 0.29 -0.04 0.00 0.00 0.00 174.94 175.59 3fl5 s MET 153 N 0.25 3.69 -0.00 2.79 -1.94 0.08 -2.94 119.30 121.23 3fl5 s MET 153 Ca -0.08 0.14 -0.20 0.00 -1.71 0.00 0.00 55.69 53.84 3fl5 s MET 153 Cb -0.13 -3.18 -0.25 0.00 2.01 0.00 0.00 34.83 33.28 3fl5 s MET 153 CO 0.03 0.72 1.05 1.25 -0.01 0.00 0.00 175.02 178.06 3fl5 h HIS 154 N 4.69 0.62 -0.46 -0.03 2.76 -1.93 -2.13 115.15 118.66 3fl5 h HIS 154 Ca -0.53 -0.36 -0.20 0.00 -2.20 0.00 0.00 60.37 57.08 3fl5 h HIS 154 Cb 1.22 -0.06 -0.08 0.00 1.55 0.00 0.00 27.41 30.04 3fl5 h HIS 154 CO 0.72 1.20 -0.18 0.54 -1.30 0.00 0.00 177.93 178.91 3fl5 n ARG 155 N -4.18 -1.29 -2.70 5.26 1.74 -1.26 -2.79 116.66 111.45 3fl5 n ARG 155 Ca -0.11 0.80 -0.02 0.00 -0.77 0.00 0.00 57.85 57.75 3fl5 n ARG 155 Cb 0.72 -4.97 0.12 0.00 -1.02 0.00 0.00 32.46 27.31 3fl5 n ARG 155 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fl5 n ASP 156 N -0.67 -0.99 -4.69 0.55 2.03 -1.26 -0.21 116.55 111.31 3fl5 n ASP 156 Ca -0.10 -2.19 -0.42 0.00 0.52 0.00 0.00 54.79 52.60 3fl5 n ASP 156 Cb 0.47 0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 41.35 3fl5 n ASP 156 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3fl5 s VAL 157 N -0.49 3.53 -0.03 5.18 1.01 -1.26 -4.77 120.40 123.57 3fl5 s VAL 157 Ca 0.12 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 3fl5 s VAL 157 Cb 0.43 -3.61 0.11 0.00 0.00 0.00 0.00 36.38 33.30 3fl5 s VAL 157 CO -0.12 0.01 0.93 -1.59 0.00 0.00 0.00 175.10 174.33 3fl5 s LYS 158 N 2.30 0.75 0.25 2.72 -2.85 -1.26 -4.77 119.74 116.88 3fl5 s LYS 158 Ca 0.66 -0.27 -0.11 0.00 -1.00 0.00 0.00 55.97 55.24 3fl5 s LYS 158 Cb -0.34 0.35 0.35 0.00 -2.06 0.00 0.00 37.83 36.13 3fl5 s LYS 158 CO 0.28 -0.33 1.58 -1.35 0.10 0.00 0.00 175.35 175.63 3fl5 h PRO 159 N 2.01 -0.01 -1.00 1.78 0.11 -1.93 -0.66 132.00 132.29 3fl5 h PRO 159 Ca -0.20 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.97 3fl5 h PRO 159 Cb 1.23 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 3fl5 h PRO 159 CO 0.30 -0.01 0.64 1.25 -0.21 0.00 0.00 178.00 179.98 3fl5 h HIS 160 N -0.01 1.20 -0.00 0.65 -0.00 -1.97 -2.27 115.15 112.74 3fl5 h HIS 160 Ca 0.40 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.80 3fl5 h HIS 160 Cb 0.62 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 3fl5 h HIS 160 CO -0.69 0.63 -0.01 0.09 -0.00 0.00 0.00 177.93 177.95 3fl5 n ASN 161 N -4.50 0.01 -4.27 3.26 3.02 -0.32 -4.21 115.26 108.26 3fl5 n ASN 161 Ca 0.15 -0.06 -0.44 0.00 -0.03 0.00 0.00 54.58 54.21 3fl5 n ASN 161 Cb 0.17 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 3fl5 n ASN 161 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3fl5 s VAL 162 N -2.64 5.26 -0.42 2.41 1.01 -0.83 -0.98 120.40 124.21 3fl5 s VAL 162 Ca 0.26 -2.96 -0.29 0.00 0.00 0.00 0.00 61.98 59.00 3fl5 s VAL 162 Cb 0.20 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.35 3fl5 s VAL 162 CO 0.47 -1.05 1.28 -0.04 0.00 0.00 0.00 175.10 175.76 3fl5 s MET 163 N -0.41 3.69 -0.23 2.72 -1.94 0.49 -4.88 119.30 118.74 3fl5 s MET 163 Ca 0.22 0.83 -0.09 0.00 -1.71 0.00 0.00 55.69 54.94 3fl5 s MET 163 Cb -0.11 -3.95 -0.04 0.00 2.01 0.00 0.00 34.83 32.73 3fl5 s MET 163 CO -0.08 -1.41 0.13 0.42 -0.01 0.00 0.00 175.02 174.06 3fl5 s ILE 164 N 4.85 5.08 -0.62 2.53 1.01 -1.26 -0.83 121.20 131.95 3fl5 s ILE 164 Ca 0.55 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 61.11 3fl5 s ILE 164 Cb -0.11 -3.36 0.14 0.00 0.01 0.00 0.00 42.46 39.14 3fl5 s ILE 164 CO 0.30 0.36 0.64 -0.62 0.00 0.00 0.00 174.94 175.63 3fl5 s ASP 165 N 1.06 6.30 0.24 3.58 -1.08 0.53 -2.00 116.67 125.30 3fl5 s ASP 165 Ca 0.06 -1.84 0.03 0.00 -0.52 0.00 0.00 52.55 50.29 3fl5 s ASP 165 Cb -0.14 -2.25 0.26 0.00 -1.46 0.00 0.00 42.92 39.33 3fl5 s ASP 165 CO 0.04 -0.91 1.57 -0.74 0.52 0.00 0.00 175.17 175.66 3fl5 h HIS 166 N 8.80 0.38 -0.21 -5.34 -0.00 -1.93 0.45 115.15 117.30 3fl5 h HIS 166 Ca -0.21 -0.14 0.05 0.00 -0.00 0.00 0.00 60.37 60.07 3fl5 h HIS 166 Cb 1.08 -0.07 -0.07 0.00 -0.00 0.00 0.00 27.41 28.35 3fl5 h HIS 166 CO 0.84 0.79 -0.45 1.49 -0.00 0.00 0.00 177.93 180.60 3fl5 h GLU 167 N 0.23 -0.44 -0.02 5.26 4.81 -1.96 -3.12 114.58 119.33 3fl5 h GLU 167 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3fl5 h GLU 167 Cb 1.06 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3fl5 h GLU 167 CO 0.09 -0.30 -0.13 1.28 -0.73 0.00 0.00 179.01 179.22 3fl5 n LEU 168 N -5.43 2.59 -3.41 1.64 4.77 -1.11 -4.97 117.00 111.08 3fl5 n LEU 168 Ca -0.03 -0.88 -0.23 0.00 -0.03 0.00 0.00 56.01 54.83 3fl5 n LEU 168 Cb 0.36 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.52 3fl5 n LEU 168 CO 0.09 0.44 0.20 0.54 -1.33 0.00 0.00 177.39 177.34 3fl5 n ARG 169 N 0.85 -7.28 -4.11 3.23 1.74 0.15 -5.02 116.66 106.23 3fl5 n ARG 169 Ca 0.13 0.82 -0.30 0.00 -0.77 0.00 0.00 57.85 57.72 3fl5 n ARG 169 Cb 0.54 -5.76 -0.08 0.00 -1.02 0.00 0.00 32.46 26.14 3fl5 n ARG 169 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3fl5 s LYS 170 N -6.18 2.61 -0.03 5.56 1.02 -0.69 -4.97 119.74 117.06 3fl5 s LYS 170 Ca 0.53 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.73 3fl5 s LYS 170 Cb -0.23 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 3fl5 s LYS 170 CO 0.65 0.54 -0.10 -1.17 -0.92 0.00 0.00 175.35 174.36 3fl5 s LEU 171 N -2.33 1.78 -0.05 3.17 0.20 -1.26 -0.35 118.68 119.84 3fl5 s LEU 171 Ca 0.26 -0.21 0.01 0.00 0.69 0.00 0.00 54.13 54.89 3fl5 s LEU 171 Cb -0.12 -0.61 0.02 0.00 -0.43 0.00 0.00 46.19 45.05 3fl5 s LEU 171 CO 0.19 0.07 -0.07 -0.13 -0.29 0.00 0.00 176.35 176.12 3fl5 s ARG 172 N 0.21 1.14 -0.24 1.98 1.81 -0.01 -4.59 118.95 119.26 3fl5 s ARG 172 Ca -0.04 -0.22 -0.25 0.00 -1.72 0.00 0.00 55.73 53.51 3fl5 s ARG 172 Cb -0.09 -1.05 -0.00 0.00 -0.45 0.00 0.00 34.95 33.35 3fl5 s ARG 172 CO 0.01 -0.05 0.83 -1.17 -0.68 0.00 0.00 175.30 174.25 3fl5 s LEU 173 N 0.84 4.08 0.49 2.53 2.96 0.49 -0.38 118.68 129.69 3fl5 s LEU 173 Ca -0.12 1.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.86 3fl5 s LEU 173 Cb -0.15 -3.20 -0.02 0.00 0.50 0.00 0.00 46.19 43.32 3fl5 s LEU 173 CO 0.01 -0.52 0.06 0.27 -1.32 0.00 0.00 176.35 174.84 3fl5 s ILE 174 N 2.86 1.45 -0.49 6.68 -4.36 -0.15 -2.72 121.20 124.46 3fl5 s ILE 174 Ca 0.35 -1.93 -0.19 0.00 -0.26 0.00 0.00 60.65 58.62 3fl5 s ILE 174 Cb -0.15 -2.38 0.03 0.00 1.25 0.00 0.00 42.46 41.21 3fl5 s ILE 174 CO 0.07 0.00 0.63 -0.67 0.24 0.00 0.00 174.94 175.21 3fl5 n ASP 175 N -1.26 -7.20 -1.42 4.36 4.64 -1.26 -4.85 116.55 109.57 3fl5 n ASP 175 Ca -0.14 0.22 0.03 0.00 -1.38 0.00 0.00 54.79 53.53 3fl5 n ASP 175 Cb 0.67 -4.31 0.25 0.00 -1.04 0.00 0.00 41.12 36.69 3fl5 n ASP 175 CO 0.00 0.00 0.00 0.79 -0.82 0.00 0.00 177.20 177.17 3fl5 n TRP 176 N -0.57 1.37 0.29 -0.67 7.02 -1.26 -4.43 117.44 119.20 3fl5 n TRP 176 Ca 0.03 -0.51 0.18 0.00 -1.02 0.00 0.00 57.50 56.19 3fl5 n TRP 176 Cb 0.53 -0.38 0.79 0.00 -2.42 0.00 0.00 31.31 29.83 3fl5 n TRP 176 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3fl5 h GLY 177 N 4.27 0.00 -1.03 6.99 0.00 -1.91 -2.83 103.07 108.55 3fl5 h GLY 177 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3fl5 h GLY 177 CO 0.34 0.00 -0.22 1.04 0.00 0.00 0.00 176.54 177.69 3fl5 n LEU 178 N -3.06 1.99 -4.76 3.11 4.77 -1.26 -4.89 117.00 112.91 3fl5 n LEU 178 Ca -0.00 -0.85 -0.33 0.00 -0.03 0.00 0.00 56.01 54.79 3fl5 n LEU 178 Cb 0.25 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.40 3fl5 n LEU 178 CO 0.25 0.37 0.76 0.00 -1.33 0.00 0.00 177.39 177.43 3fl5 s ALA 179 N -1.81 2.37 0.06 -1.18 0.00 -1.07 -4.70 121.76 115.43 3fl5 s ALA 179 Ca 0.17 0.64 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 3fl5 s ALA 179 Cb 0.14 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3fl5 s ALA 179 CO 0.35 -1.43 0.05 -1.21 0.00 0.00 0.00 175.76 173.52 3fl5 s GLU 180 N -4.03 0.66 0.17 0.00 0.41 -0.80 -4.90 118.70 110.21 3fl5 s GLU 180 Ca 0.69 -1.07 -0.30 0.00 -0.41 0.00 0.00 54.97 53.88 3fl5 s GLU 180 Cb -0.23 0.24 -0.07 0.00 -1.78 0.00 0.00 34.13 32.29 3fl5 s GLU 180 CO 0.42 -0.15 0.97 -0.06 -0.49 0.00 0.00 175.26 175.94 3fl5 s PHE 181 N -3.64 3.86 -0.12 1.61 0.40 -1.26 -0.74 117.98 118.09 3fl5 s PHE 181 Ca 0.04 1.83 -0.24 0.00 -0.60 0.00 0.00 56.93 57.96 3fl5 s PHE 181 Cb 0.05 -3.05 -0.03 0.00 0.51 0.00 0.00 43.02 40.51 3fl5 s PHE 181 CO -0.09 0.23 0.74 -0.47 0.70 0.00 0.00 175.22 176.33 3fl5 s TYR 182 N -0.50 3.49 -0.12 0.36 5.04 0.33 -4.89 117.35 121.06 3fl5 s TYR 182 Ca 0.45 1.21 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 3fl5 s TYR 182 Cb -0.25 -2.88 0.02 0.00 0.35 0.00 0.00 41.96 39.20 3fl5 s TYR 182 CO 0.31 -0.07 -0.11 -1.01 -1.34 0.00 0.00 175.55 173.34 3fl5 s HIS 183 N 1.44 1.73 0.06 4.97 3.76 -1.26 -4.52 115.29 121.47 3fl5 s HIS 183 Ca 0.37 -0.88 -0.36 0.00 -0.15 0.00 0.00 55.06 54.04 3fl5 s HIS 183 Cb -0.17 -1.34 -0.16 0.00 1.11 0.00 0.00 32.58 32.02 3fl5 s HIS 183 CO 0.15 -0.53 1.45 -0.35 -0.85 0.00 0.00 174.74 174.61 3fl5 n PRO 184 N 4.69 1.39 0.00 8.40 -0.04 -1.26 -1.57 135.00 146.61 3fl5 n PRO 184 Ca -0.16 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3fl5 n PRO 184 Cb 0.50 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 3fl5 n PRO 184 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fl5 n GLY 185 N 2.94 2.85 3.77 0.55 0.00 -1.26 -5.02 105.19 109.01 3fl5 n GLY 185 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3fl5 n GLY 185 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fl5 s LYS 186 N -0.27 3.82 -0.31 1.61 2.20 -0.61 -4.91 119.74 121.28 3fl5 s LYS 186 Ca 0.00 2.22 -0.07 0.00 -0.36 0.00 0.00 55.97 57.76 3fl5 s LYS 186 Cb 0.00 -2.68 0.01 0.00 -1.51 0.00 0.00 37.83 33.65 3fl5 s LYS 186 CO 0.00 -0.64 0.10 -1.21 -0.36 0.00 0.00 175.35 173.24 3fl5 s GLU 187 N -2.37 3.06 0.39 4.03 2.02 -1.26 -4.21 118.70 120.35 3fl5 s GLU 187 Ca 0.59 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.72 3fl5 s GLU 187 Cb -0.39 -3.44 -0.01 0.00 0.10 0.00 0.00 34.13 30.39 3fl5 s GLU 187 CO 0.50 -0.48 0.57 0.71 0.02 0.00 0.00 175.26 176.58 3fl5 s TYR 188 N 1.51 3.25 0.17 1.61 1.51 -0.38 -4.95 117.35 120.08 3fl5 s TYR 188 Ca 0.02 0.10 -0.30 0.00 -1.01 0.00 0.00 57.07 55.88 3fl5 s TYR 188 Cb -0.18 -2.10 -0.08 0.00 -0.11 0.00 0.00 41.96 39.49 3fl5 s TYR 188 CO 0.03 -0.13 1.33 1.21 -1.11 0.00 0.00 175.55 176.88 3fl5 s ASN 189 N -4.16 6.88 0.00 2.29 3.84 -1.26 -4.69 114.94 117.83 3fl5 s ASN 189 Ca 0.45 2.37 0.27 0.00 0.21 0.00 0.00 52.86 56.16 3fl5 s ASN 189 Cb -0.10 -2.60 0.89 0.00 -0.55 0.00 0.00 41.25 38.89 3fl5 s ASN 189 CO 0.35 -0.56 1.67 1.33 -2.79 0.00 0.00 177.10 177.10 3fl5 n VAL 190 N 3.00 0.00 -1.29 -5.21 0.24 -1.26 -4.38 118.33 109.42 3fl5 n VAL 190 Ca 0.08 -0.04 -0.34 0.00 -2.04 0.00 0.00 64.34 62.00 3fl5 n VAL 190 Cb 0.43 0.03 -0.06 0.00 -1.47 0.00 0.00 33.84 32.77 3fl5 n VAL 190 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3fl5 n ARG 191 N -1.21 3.42 -4.48 7.34 1.74 -1.26 -4.83 116.66 117.37 3fl5 n ARG 191 Ca 0.09 -2.05 -0.28 0.00 -0.77 0.00 0.00 57.85 54.85 3fl5 n ARG 191 Cb 0.32 -2.63 -0.07 0.00 -1.02 0.00 0.00 32.46 29.06 3fl5 n ARG 191 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3fl5 n VAL 192 N 3.24 0.00 -4.53 1.55 0.24 -1.26 -5.10 118.33 112.47 3fl5 n VAL 192 Ca 0.71 -2.35 0.00 0.00 -2.04 0.00 0.00 64.34 60.66 3fl5 n VAL 192 Cb 0.36 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 3fl5 n VAL 192 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fl5 n ALA 193 N -1.23 0.00 -2.39 2.33 0.00 0.71 -4.85 120.51 115.08 3fl5 n ALA 193 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 3fl5 n ALA 193 Cb 0.62 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.94 3fl5 n ALA 193 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fl5 s SER 194 N -4.00 3.32 0.18 0.00 0.01 -1.26 -4.97 113.70 106.98 3fl5 s SER 194 Ca 0.00 -0.75 -0.21 0.00 1.31 0.00 0.00 55.95 56.30 3fl5 s SER 194 Cb 0.00 -0.22 0.11 0.00 0.21 0.00 0.00 66.02 66.12 3fl5 s SER 194 CO 0.00 0.18 1.58 -0.09 0.41 0.00 0.00 173.24 175.32 3fl5 h ARG 195 N 3.87 -0.16 0.00 12.44 2.43 -1.97 0.12 114.38 131.11 3fl5 h ARG 195 Ca -0.51 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3fl5 h ARG 195 Cb 1.17 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3fl5 h ARG 195 CO 0.39 -0.11 0.00 1.88 -1.51 0.00 0.00 179.97 180.62 3fl5 h TYR 196 N -0.17 0.00 -0.00 2.20 0.05 -1.91 -2.02 116.97 115.11 3fl5 h TYR 196 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.01 3fl5 h TYR 196 Cb 0.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.29 3fl5 h TYR 196 CO -0.65 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 177.65 3fl5 n PHE 197 N -2.33 0.00 -2.51 4.88 3.72 0.36 -4.64 117.46 116.96 3fl5 n PHE 197 Ca -0.01 -0.44 -0.42 0.00 -0.05 0.00 0.00 57.45 56.53 3fl5 n PHE 197 Cb 0.08 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 3fl5 n PHE 197 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3fl5 s LYS 198 N -0.89 4.41 0.79 -1.08 1.02 -0.76 -4.13 119.74 119.10 3fl5 s LYS 198 Ca 0.00 1.64 -0.11 0.00 0.02 0.00 0.00 55.97 57.51 3fl5 s LYS 198 Cb 0.00 -3.48 0.07 0.00 -0.52 0.00 0.00 37.83 33.90 3fl5 s LYS 198 CO 0.00 -0.32 1.12 0.20 -0.92 0.00 0.00 175.35 175.43 3fl5 s GLY 199 N 1.25 1.82 0.38 -3.33 0.00 -1.26 -4.91 107.32 101.27 3fl5 s GLY 199 Ca 0.55 0.47 0.10 0.00 0.00 0.00 0.00 44.72 45.84 3fl5 s GLY 199 CO 0.25 0.84 1.91 -2.55 0.00 0.00 0.00 173.10 173.55 3fl5 h PRO 200 N -1.09 0.61 -0.99 2.90 0.11 -1.93 -1.80 132.00 129.80 3fl5 h PRO 200 Ca -0.44 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 65.81 3fl5 h PRO 200 Cb 1.25 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 32.13 3fl5 h PRO 200 CO 0.49 0.40 0.62 1.05 -0.21 0.00 0.00 178.00 180.35 3fl5 h GLU 201 N 0.63 0.75 -0.01 1.05 9.09 -1.89 0.13 114.58 124.32 3fl5 h GLU 201 Ca 0.39 -0.05 -0.21 0.00 0.05 0.00 0.00 59.36 59.54 3fl5 h GLU 201 Cb 0.63 -0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 27.56 3fl5 h GLU 201 CO -0.15 0.50 -0.88 -0.07 0.05 0.00 0.00 179.01 178.46 3fl5 h LEU 202 N 0.77 0.44 -0.05 3.06 3.38 -1.56 0.49 115.31 121.83 3fl5 h LEU 202 Ca 0.55 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3fl5 h LEU 202 Cb 0.84 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3fl5 h LEU 202 CO -0.33 1.12 -0.02 -0.07 0.09 0.00 0.00 178.44 179.24 3fl5 h LEU 203 N 0.20 0.00 -3.15 1.67 3.38 -1.08 -3.14 115.31 113.19 3fl5 h LEU 203 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3fl5 h LEU 203 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 3fl5 h LEU 203 CO 0.15 0.02 0.00 1.33 0.09 0.00 0.00 178.44 180.02 3fl5 n VAL 204 N -3.10 1.89 -3.01 1.22 0.24 0.35 -4.98 118.33 110.93 3fl5 n VAL 204 Ca 0.04 -1.55 -0.22 0.00 -2.04 0.00 0.00 64.34 60.56 3fl5 n VAL 204 Cb 0.53 -0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.93 3fl5 n VAL 204 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3fl5 n ASP 205 N -0.06 -5.97 -4.52 -1.34 9.92 -1.10 -4.95 116.55 108.52 3fl5 n ASP 205 Ca 0.19 -0.28 -0.43 0.00 -0.53 0.00 0.00 54.79 53.74 3fl5 n ASP 205 Cb 0.76 -4.84 -0.04 0.00 -0.64 0.00 0.00 41.12 36.36 3fl5 n ASP 205 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3fl5 s LEU 206 N -6.65 4.03 0.05 0.64 0.20 0.17 -4.89 118.68 112.22 3fl5 s LEU 206 Ca 0.29 -0.35 0.04 0.00 0.69 0.00 0.00 54.13 54.80 3fl5 s LEU 206 Cb -0.13 -2.83 -0.24 0.00 -0.43 0.00 0.00 46.19 42.56 3fl5 s LEU 206 CO 0.36 -1.29 1.01 1.56 -0.29 0.00 0.00 176.35 177.71 3fl5 h GLN 207 N 9.38 0.10 -2.88 1.98 4.20 -1.84 -3.37 115.11 122.68 3fl5 h GLN 207 Ca -0.26 -0.18 -0.71 0.00 0.06 0.00 0.00 58.65 57.56 3fl5 h GLN 207 Cb 1.07 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.86 3fl5 h GLN 207 CO 1.11 0.95 3.04 -0.40 -0.67 0.00 0.00 178.83 182.87 3fl5 n ASP 208 N -3.34 8.04 -4.77 1.46 5.75 -1.26 -1.24 116.55 121.19 3fl5 n ASP 208 Ca -0.09 -2.89 -0.23 0.00 -0.01 0.00 0.00 54.79 51.57 3fl5 n ASP 208 Cb 1.00 -1.46 0.09 0.00 -1.03 0.00 0.00 41.12 39.72 3fl5 n ASP 208 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 3fl5 s TYR 209 N 0.50 1.99 0.00 2.11 -0.85 -1.26 -4.66 117.35 115.19 3fl5 s TYR 209 Ca 0.60 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.98 3fl5 s TYR 209 Cb 0.18 -2.95 0.00 0.00 0.38 0.00 0.00 41.96 39.57 3fl5 s TYR 209 CO -0.07 -1.48 0.00 -0.40 -1.52 0.00 0.00 175.55 172.07 3fl5 n ASP 210 N -2.72 0.00 -0.39 -0.18 5.68 -1.26 -4.96 116.55 112.73 3fl5 n ASP 210 Ca 0.13 -0.20 0.31 0.00 -0.50 0.00 0.00 54.79 54.53 3fl5 n ASP 210 Cb 0.60 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.18 3fl5 n ASP 210 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 3fl5 h TYR 211 N 0.20 0.54 0.00 2.11 0.05 -1.94 -1.53 116.97 116.40 3fl5 h TYR 211 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3fl5 h TYR 211 Cb 0.00 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.60 3fl5 h TYR 211 CO 0.00 -0.08 0.17 0.66 -1.05 0.00 0.00 178.16 177.86 3fl5 h SER 212 N 0.20 0.00 -0.69 3.88 4.64 -1.95 -0.82 113.55 118.81 3fl5 h SER 212 Ca 0.72 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 62.06 3fl5 h SER 212 Cb 2.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.18 3fl5 h SER 212 CO -0.34 0.00 0.43 0.25 -0.87 0.00 0.00 176.83 176.30 3fl5 h LEU 213 N 0.00 0.71 -1.78 5.97 5.85 -1.64 -2.62 115.31 121.81 3fl5 h LEU 213 Ca 0.00 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3fl5 h LEU 213 Cb 0.34 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3fl5 h LEU 213 CO 0.00 0.49 -0.14 0.44 -0.34 0.00 0.00 178.44 178.90 3fl5 h ASP 214 N 0.85 0.00 0.64 1.25 3.32 -1.36 -2.67 116.42 118.45 3fl5 h ASP 214 Ca 0.27 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.11 3fl5 h ASP 214 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3fl5 h ASP 214 CO -0.10 0.14 -0.98 0.24 -1.72 0.00 0.00 179.24 176.81 3fl5 h MET 215 N 0.00 0.19 -0.05 3.56 2.86 -1.59 -1.32 114.93 118.59 3fl5 h MET 215 Ca -0.00 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3fl5 h MET 215 Cb 0.41 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 3fl5 h MET 215 CO 0.02 1.03 0.02 2.35 1.06 0.00 0.00 176.91 181.38 3fl5 h TRP 216 N 0.09 0.07 -0.51 -0.22 2.91 -1.31 -0.20 115.95 116.79 3fl5 h TRP 216 Ca -0.06 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.01 3fl5 h TRP 216 Cb 1.65 -0.02 -0.05 0.00 -0.51 0.00 0.00 29.16 30.23 3fl5 h TRP 216 CO 0.03 0.22 0.23 0.77 -1.03 0.00 0.00 178.44 178.66 3fl5 h SER 217 N -0.09 0.29 -0.54 2.65 0.02 -1.44 0.17 113.55 114.61 3fl5 h SER 217 Ca 0.02 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3fl5 h SER 217 Cb 0.18 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3fl5 h SER 217 CO -0.00 0.20 0.33 0.25 -1.14 0.00 0.00 176.83 176.47 3fl5 h LEU 218 N 0.44 0.64 -0.73 5.07 6.46 -1.23 -1.78 115.31 124.17 3fl5 h LEU 218 Ca 0.23 -0.04 0.13 0.00 -0.12 0.00 0.00 57.88 58.08 3fl5 h LEU 218 Cb 0.19 -0.16 -0.09 0.00 -0.73 0.00 0.00 40.66 39.87 3fl5 h LEU 218 CO -0.20 0.49 0.27 1.23 -0.62 0.00 0.00 178.44 179.62 3fl5 h GLY 219 N 0.72 1.08 1.00 3.75 0.00 0.04 0.34 103.07 110.00 3fl5 h GLY 219 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3fl5 h GLY 219 CO -0.04 -0.09 0.32 0.00 0.00 0.00 0.00 176.54 176.73 3fl5 h MET 221 N 0.87 0.33 -0.70 0.00 2.07 -0.45 -2.06 114.93 115.00 3fl5 h MET 221 Ca 0.22 -0.09 -0.01 0.00 -2.07 0.00 0.00 59.70 57.75 3fl5 h MET 221 Cb 0.09 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.75 3fl5 h MET 221 CO -0.03 0.49 0.39 0.35 1.07 0.00 0.00 176.91 179.18 3fl5 h PHE 222 N 0.11 0.94 -0.73 -0.22 3.57 -0.19 -1.41 116.94 119.02 3fl5 h PHE 222 Ca 0.06 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3fl5 h PHE 222 Cb 0.33 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3fl5 h PHE 222 CO 0.02 0.66 0.46 0.00 -2.23 0.00 0.00 178.31 177.22 3fl5 h ALA 223 N 1.20 0.95 -0.55 2.41 0.00 -0.68 -2.22 119.26 120.37 3fl5 h ALA 223 Ca 0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3fl5 h ALA 223 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3fl5 h ALA 223 CO -0.04 0.26 0.05 0.78 0.00 0.00 0.00 179.25 180.29 3fl5 h GLY 224 N 0.91 0.97 0.78 0.00 0.00 -1.01 -2.41 103.07 102.30 3fl5 h GLY 224 Ca 0.29 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 3fl5 h GLY 224 CO -0.10 0.59 -0.31 -0.33 0.00 0.00 0.00 176.54 176.39 3fl5 h MET 225 N 0.84 -0.82 -0.07 4.80 2.07 -0.99 -0.48 114.93 120.28 3fl5 h MET 225 Ca 0.17 0.06 -0.08 0.00 -2.07 0.00 0.00 59.70 57.77 3fl5 h MET 225 Cb 0.44 0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 30.34 3fl5 h MET 225 CO 0.02 -0.51 -0.34 -0.84 1.07 0.00 0.00 176.91 176.31 3fl5 h ILE 226 N -1.09 1.27 0.00 -1.22 3.07 -1.48 -2.89 117.51 115.17 3fl5 h ILE 226 Ca -0.09 -1.28 0.00 0.00 1.55 0.00 0.00 64.86 65.05 3fl5 h ILE 226 Cb 0.70 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.85 3fl5 h ILE 226 CO 0.14 0.38 -0.81 0.49 -1.05 0.00 0.00 178.15 177.30 3fl5 n PHE 227 N -4.10 0.07 -3.90 0.16 3.72 -0.91 -4.35 117.46 108.15 3fl5 n PHE 227 Ca -0.01 0.02 -0.29 0.00 -0.05 0.00 0.00 57.45 57.12 3fl5 n PHE 227 Cb 0.41 -0.22 0.02 0.00 -0.94 0.00 0.00 39.48 38.74 3fl5 n PHE 227 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3fl5 n ARG 228 N -1.63 -5.00 -3.95 -1.08 1.74 -0.21 -4.75 116.66 101.78 3fl5 n ARG 228 Ca 0.04 0.57 -0.31 0.00 -0.77 0.00 0.00 57.85 57.38 3fl5 n ARG 228 Cb 0.36 -5.31 -0.15 0.00 -1.02 0.00 0.00 32.46 26.34 3fl5 n ARG 228 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3fl5 s LYS 229 N -6.51 1.39 -0.15 5.56 2.20 -1.07 -5.05 119.74 116.10 3fl5 s LYS 229 Ca 0.48 -1.54 -0.00 0.00 -0.36 0.00 0.00 55.97 54.55 3fl5 s LYS 229 Cb -0.24 -2.83 0.03 0.00 -1.51 0.00 0.00 37.83 33.28 3fl5 s LYS 229 CO 0.84 -0.88 -0.06 -1.21 -0.36 0.00 0.00 175.35 173.68 3fl5 s GLU 230 N 1.14 1.47 0.83 4.03 2.02 -1.26 -1.95 118.70 124.97 3fl5 s GLU 230 Ca 0.07 -0.41 -0.12 0.00 0.02 0.00 0.00 54.97 54.53 3fl5 s GLU 230 Cb -0.19 -1.84 0.09 0.00 0.10 0.00 0.00 34.13 32.29 3fl5 s GLU 230 CO -0.11 -0.37 1.11 -1.25 0.02 0.00 0.00 175.26 174.66 3fl5 s PRO 231 N 1.66 1.85 0.05 0.39 0.04 -1.26 -5.10 135.00 132.64 3fl5 s PRO 231 Ca 0.02 0.51 -0.18 0.00 0.04 0.00 0.00 61.00 61.39 3fl5 s PRO 231 Cb -0.14 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 3fl5 s PRO 231 CO -0.08 -1.75 1.31 0.35 0.04 0.00 0.00 177.00 176.87 3fl5 h PHE 232 N -1.18 0.60 -3.54 0.56 3.57 -1.63 -3.39 116.94 111.93 3fl5 h PHE 232 Ca -0.48 -0.21 -0.71 0.00 3.53 0.00 0.00 57.97 60.10 3fl5 h PHE 232 Cb 1.29 -0.11 -0.28 0.00 2.79 0.00 0.00 35.95 39.64 3fl5 h PHE 232 CO 0.41 0.92 -0.52 -0.06 -2.23 0.00 0.00 178.31 176.83 3fl5 s PHE 233 N -4.07 3.30 -0.98 0.41 0.08 -1.26 -5.04 117.98 110.43 3fl5 s PHE 233 Ca -0.13 -1.42 -0.04 0.00 0.12 0.00 0.00 56.93 55.45 3fl5 s PHE 233 Cb 0.06 -2.67 0.24 0.00 -0.57 0.00 0.00 43.02 40.08 3fl5 s PHE 233 CO 0.79 -0.78 0.91 0.98 -0.10 0.00 0.00 175.22 177.03 3fl5 n TYR 234 N 4.89 4.56 -3.94 0.36 9.36 -1.26 -4.61 117.16 126.53 3fl5 n TYR 234 Ca -0.11 -4.04 -0.29 0.00 3.32 0.00 0.00 57.90 56.78 3fl5 n TYR 234 Cb 0.44 -1.33 -0.04 0.00 -0.63 0.00 0.00 39.34 37.78 3fl5 n TYR 234 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3fl5 s GLY 235 N 0.28 2.02 -0.12 2.98 0.00 -1.26 -4.98 107.32 106.24 3fl5 s GLY 235 Ca 0.29 -0.92 -0.11 0.00 0.00 0.00 0.00 44.72 43.98 3fl5 s GLY 235 CO -0.11 -0.90 0.26 0.45 0.00 0.00 0.00 173.10 172.80 3fl5 h HIS 236 N 2.79 0.00 -5.04 1.90 -0.00 -1.97 -3.45 115.15 109.38 3fl5 h HIS 236 Ca -0.46 0.00 -0.56 0.00 -0.00 0.00 0.00 60.37 59.34 3fl5 h HIS 236 Cb 1.17 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.48 3fl5 h HIS 236 CO 0.58 0.39 -0.39 -0.40 -0.00 0.00 0.00 177.93 178.11 3fl5 n ASP 237 N -4.70 3.11 -0.17 2.45 5.75 -1.26 -4.99 116.55 116.74 3fl5 n ASP 237 Ca -0.05 -2.89 0.01 0.00 -0.01 0.00 0.00 54.79 51.86 3fl5 n ASP 237 Cb 0.20 0.25 0.28 0.00 -1.03 0.00 0.00 41.12 40.82 3fl5 n ASP 237 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3fl5 h ASN 238 N 0.98 0.78 -0.09 -1.12 2.35 -1.98 -0.96 115.58 115.53 3fl5 h ASN 238 Ca -0.36 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.37 3fl5 h ASN 238 Cb 1.11 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 3fl5 h ASN 238 CO 0.59 0.57 0.04 0.45 -1.65 0.00 0.00 177.43 177.43 3fl5 h HIS 239 N 0.92 0.14 -0.22 1.19 3.86 -1.97 -3.04 115.15 116.03 3fl5 h HIS 239 Ca 0.25 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 3fl5 h HIS 239 Cb -0.10 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3fl5 h HIS 239 CO 0.00 0.21 -0.12 0.22 0.86 0.00 0.00 177.93 179.10 3fl5 h ASP 240 N 0.02 0.35 -0.90 2.45 3.58 -1.85 -2.45 116.42 117.62 3fl5 h ASP 240 Ca 0.03 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 3fl5 h ASP 240 Cb 0.13 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 3fl5 h ASP 240 CO -0.00 0.50 0.56 -0.61 -2.88 0.00 0.00 179.24 176.81 3fl5 h GLN 241 N 0.34 1.22 -0.40 0.28 5.75 -1.13 0.04 115.11 121.20 3fl5 h GLN 241 Ca 0.07 -0.10 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 3fl5 h GLN 241 Cb 0.43 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 3fl5 h GLN 241 CO 0.02 0.84 -0.01 1.25 -2.65 0.00 0.00 178.83 178.29 3fl5 h LEU 242 N 1.24 0.70 -0.57 -2.39 5.85 -1.36 -2.82 115.31 115.96 3fl5 h LEU 242 Ca 0.33 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3fl5 h LEU 242 Cb -0.07 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.70 3fl5 h LEU 242 CO -0.06 0.84 0.24 0.58 -0.34 0.00 0.00 178.44 179.70 3fl5 h VAL 243 N 0.54 0.84 -0.42 1.05 2.07 -0.96 -0.75 116.25 118.62 3fl5 h VAL 243 Ca 0.11 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3fl5 h VAL 243 Cb 0.49 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3fl5 h VAL 243 CO 0.02 0.08 0.17 0.11 0.02 0.00 0.00 177.57 177.97 3fl5 h LYS 244 N 0.44 0.59 -0.19 1.57 1.79 -0.99 -1.14 116.57 118.65 3fl5 h LYS 244 Ca 0.27 -0.08 -0.16 0.00 -2.18 0.00 0.00 60.65 58.51 3fl5 h LYS 244 Cb 0.28 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3fl5 h LYS 244 CO -0.25 0.49 -0.49 0.82 -1.08 0.00 0.00 179.45 178.94 3fl5 h ILE 245 N 0.59 1.32 0.00 1.86 2.04 -1.14 -3.21 117.51 118.96 3fl5 h ILE 245 Ca 0.15 -1.73 -0.04 0.00 1.00 0.00 0.00 64.86 64.24 3fl5 h ILE 245 Cb 0.12 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3fl5 h ILE 245 CO -0.01 0.54 -0.21 0.00 0.00 0.00 0.00 178.15 178.47 3fl5 h ALA 246 N 0.58 1.25 0.00 1.87 0.00 -0.75 0.58 119.26 122.80 3fl5 h ALA 246 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3fl5 h ALA 246 Cb 1.11 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3fl5 h ALA 246 CO 0.11 0.26 -0.00 0.87 0.00 0.00 0.00 179.25 180.48 3fl5 h LYS 247 N 0.00 0.00 0.00 0.00 1.57 -1.23 -0.15 116.57 116.76 3fl5 h LYS 247 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3fl5 h LYS 247 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3fl5 h LYS 247 CO 0.03 0.00 -1.33 0.28 -0.57 0.00 0.00 179.45 177.87 3fl5 n VAL 248 N -3.10 1.49 0.22 0.50 0.31 -0.91 -4.41 118.33 112.43 3fl5 n VAL 248 Ca 0.03 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.48 3fl5 n VAL 248 Cb 0.44 -2.20 0.21 0.00 -0.91 0.00 0.00 33.84 31.38 3fl5 n VAL 248 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3fl5 h LEU 249 N -1.00 0.00 0.00 7.52 3.38 -1.03 0.39 115.31 124.57 3fl5 h LEU 249 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3fl5 h LEU 249 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3fl5 h LEU 249 CO -0.14 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.03 3fl5 n GLY 250 N 1.01 0.22 0.19 0.83 0.00 -0.07 -4.41 105.19 102.96 3fl5 n GLY 250 Ca 0.04 -1.58 0.09 0.00 0.00 0.00 0.00 46.02 44.56 3fl5 n GLY 250 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fl5 h THR 251 N 0.00 0.26 0.26 2.61 1.35 -1.48 -3.25 112.91 112.66 3fl5 h THR 251 Ca 0.00 -1.37 -0.01 0.00 -0.55 0.00 0.00 66.41 64.47 3fl5 h THR 251 Cb 0.00 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3fl5 h THR 251 CO 0.00 0.15 -0.13 0.44 -0.25 0.00 0.00 175.52 175.73 3fl5 h ASP 252 N 0.00 -0.30 0.12 5.36 3.32 -1.88 -0.82 116.42 122.21 3fl5 h ASP 252 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3fl5 h ASP 252 Cb 1.12 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 3fl5 h ASP 252 CO 0.02 -0.21 -0.07 1.23 -1.72 0.00 0.00 179.24 178.49 3fl5 h GLY 253 N -0.36 0.00 0.91 2.75 0.00 -1.82 -1.71 103.07 102.85 3fl5 h GLY 253 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 3fl5 h GLY 253 CO 0.06 0.00 -0.26 -2.00 0.00 0.00 0.00 176.54 174.34 3fl5 h LEU 254 N 0.00 0.65 -0.74 3.11 5.85 -1.51 -2.80 115.31 119.87 3fl5 h LEU 254 Ca -0.00 -0.48 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 3fl5 h LEU 254 Cb 0.15 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3fl5 h LEU 254 CO 0.01 1.00 0.05 0.78 -0.34 0.00 0.00 178.44 179.94 3fl5 h ASN 255 N 0.31 0.98 0.29 1.25 -0.26 -0.28 -0.37 115.58 117.51 3fl5 h ASN 255 Ca 0.04 -0.25 -0.10 0.00 -0.56 0.00 0.00 56.30 55.43 3fl5 h ASN 255 Cb 0.83 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.81 3fl5 h ASN 255 CO 0.06 1.01 -0.39 -0.37 -1.06 0.00 0.00 177.43 176.68 3fl5 h VAL 256 N 0.94 1.30 -0.02 2.81 -1.51 -1.47 -2.15 116.25 116.15 3fl5 h VAL 256 Ca 0.18 -1.44 -0.01 0.00 -1.23 0.00 0.00 66.70 64.20 3fl5 h VAL 256 Cb 0.48 1.69 -0.00 0.00 -2.13 0.00 0.00 31.29 31.32 3fl5 h VAL 256 CO 0.02 0.42 -0.02 0.22 -1.23 0.00 0.00 177.57 176.98 3fl5 h TYR 257 N 0.13 0.07 -0.35 5.19 3.20 -1.17 -1.96 116.97 122.07 3fl5 h TYR 257 Ca 0.01 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3fl5 h TYR 257 Cb 0.76 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3fl5 h TYR 257 CO 0.01 0.54 0.11 -0.07 -1.64 0.00 0.00 178.16 177.10 3fl5 h LEU 258 N -0.42 0.45 -0.20 2.82 3.38 -1.08 -2.53 115.31 117.73 3fl5 h LEU 258 Ca 0.00 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3fl5 h LEU 258 Cb 0.53 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3fl5 h LEU 258 CO 0.01 0.44 -0.16 0.78 0.09 0.00 0.00 178.44 179.61 3fl5 h ASN 259 N 0.50 0.49 -0.61 -0.43 2.35 -1.41 0.90 115.58 117.36 3fl5 h ASN 259 Ca 0.12 -0.45 0.10 0.00 -0.55 0.00 0.00 56.30 55.52 3fl5 h ASN 259 Cb 0.16 -0.14 -0.08 0.00 0.05 0.00 0.00 38.32 38.31 3fl5 h ASN 259 CO -0.01 0.84 0.20 0.50 -1.65 0.00 0.00 177.43 177.31 3fl5 h LYS 260 N 0.15 0.35 -0.50 0.81 3.64 -0.94 -2.18 116.57 117.90 3fl5 h LYS 260 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3fl5 h LYS 260 Cb 0.68 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3fl5 h LYS 260 CO 0.04 0.23 0.00 0.66 -2.27 0.00 0.00 179.45 178.11 3fl5 n TYR 261 N -5.04 0.65 -3.48 1.91 4.01 -1.03 -4.98 117.16 109.21 3fl5 n TYR 261 Ca 0.09 -0.33 -0.18 0.00 -0.16 0.00 0.00 57.90 57.32 3fl5 n TYR 261 Cb 0.30 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.40 3fl5 n TYR 261 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3fl5 n ARG 262 N 1.50 -5.26 -4.28 -0.72 1.74 -0.76 -5.01 116.66 103.86 3fl5 n ARG 262 Ca 0.21 0.78 -0.35 0.00 -0.77 0.00 0.00 57.85 57.72 3fl5 n ARG 262 Cb 0.60 -5.63 -0.10 0.00 -1.02 0.00 0.00 32.46 26.32 3fl5 n ARG 262 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fl5 s ILE 263 N -3.45 4.43 -0.22 0.55 1.09 0.24 -5.03 121.20 118.82 3fl5 s ILE 263 Ca 0.10 -0.19 -0.06 0.00 -1.10 0.00 0.00 60.65 59.40 3fl5 s ILE 263 Cb -0.02 -2.90 -0.03 0.00 -1.06 0.00 0.00 42.46 38.46 3fl5 s ILE 263 CO 0.76 0.57 0.02 -1.61 -0.10 0.00 0.00 174.94 174.58 3fl5 s GLU 264 N -0.57 3.64 0.33 2.79 2.02 -1.26 -4.63 118.70 121.02 3fl5 s GLU 264 Ca 0.10 -0.50 -0.29 0.00 0.02 0.00 0.00 54.97 54.30 3fl5 s GLU 264 Cb -0.12 -3.16 -0.10 0.00 0.10 0.00 0.00 34.13 30.85 3fl5 s GLU 264 CO 0.02 -0.04 1.37 -0.51 0.02 0.00 0.00 175.26 176.12 3fl5 s LEU 265 N 1.17 4.39 0.26 1.80 1.02 -1.26 -4.99 118.68 121.08 3fl5 s LEU 265 Ca 0.03 2.78 -0.30 0.00 0.02 0.00 0.00 54.13 56.67 3fl5 s LEU 265 Cb -0.14 -3.65 -0.14 0.00 0.02 0.00 0.00 46.19 42.28 3fl5 s LEU 265 CO 0.02 -0.64 1.24 0.47 0.02 0.00 0.00 176.35 177.45 3fl5 n ASP 266 N 0.89 2.13 -0.29 2.29 8.00 -1.26 -4.74 116.55 123.57 3fl5 n ASP 266 Ca 0.01 1.16 0.07 0.00 0.71 0.00 0.00 54.79 56.75 3fl5 n ASP 266 Cb 0.41 -1.36 0.30 0.00 -0.02 0.00 0.00 41.12 40.44 3fl5 n ASP 266 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3fl5 h PRO 267 N 3.17 0.86 -0.54 -0.24 0.11 -1.98 0.14 132.00 133.51 3fl5 h PRO 267 Ca -0.43 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3fl5 h PRO 267 Cb 1.31 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3fl5 h PRO 267 CO 0.68 0.57 0.03 -0.56 -0.21 0.00 0.00 178.00 178.51 3fl5 h GLN 268 N 0.88 0.93 -0.25 1.05 -0.00 -1.99 -0.64 115.11 115.08 3fl5 h GLN 268 Ca 0.42 -0.28 -0.04 0.00 -0.00 0.00 0.00 58.65 58.74 3fl5 h GLN 268 Cb 0.42 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 27.80 3fl5 h GLN 268 CO -0.18 0.93 -0.00 1.25 -0.00 0.00 0.00 178.83 180.83 3fl5 h LEU 269 N 0.80 0.44 -0.65 0.06 5.85 -1.71 -0.90 115.31 119.21 3fl5 h LEU 269 Ca 0.16 -0.31 0.09 0.00 0.84 0.00 0.00 57.88 58.66 3fl5 h LEU 269 Cb 0.49 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 3fl5 h LEU 269 CO 0.02 0.65 0.28 -0.08 -0.34 0.00 0.00 178.44 178.97 3fl5 h GLU 270 N 0.23 0.47 -0.28 1.25 4.81 -0.66 0.13 114.58 120.52 3fl5 h GLU 270 Ca 0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3fl5 h GLU 270 Cb 0.42 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3fl5 h GLU 270 CO 0.01 0.31 0.18 0.00 -0.73 0.00 0.00 179.01 178.79 3fl5 h ALA 271 N 1.42 0.36 -0.58 2.92 0.00 -0.94 -1.80 119.26 120.63 3fl5 h ALA 271 Ca 0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3fl5 h ALA 271 Cb 0.38 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3fl5 h ALA 271 CO -0.29 -0.18 0.23 -0.07 0.00 0.00 0.00 179.25 178.94 3fl5 h LEU 272 N 0.38 0.77 0.08 0.00 3.38 -0.45 -3.05 115.31 116.42 3fl5 h LEU 272 Ca 0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fl5 h LEU 272 Cb -0.04 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3fl5 h LEU 272 CO -0.03 0.70 -0.04 0.58 0.09 0.00 0.00 178.44 179.75 3fl5 h VAL 273 N 0.84 1.10 0.00 1.22 2.07 -0.56 -3.47 116.25 117.45 3fl5 h VAL 273 Ca 0.20 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3fl5 h VAL 273 Cb 0.17 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3fl5 h VAL 273 CO -0.02 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.35 3fl5 n GLY 274 N -0.32 1.09 2.89 2.17 0.00 -0.69 -4.77 105.19 105.56 3fl5 n GLY 274 Ca -0.08 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 3fl5 n GLY 274 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fl5 s ARG 275 N 0.00 1.19 0.03 1.61 6.06 -1.26 -4.95 118.95 121.63 3fl5 s ARG 275 Ca 0.00 -0.16 -0.03 0.00 -2.50 0.00 0.00 55.73 53.03 3fl5 s ARG 275 Cb 0.00 -1.25 -0.02 0.00 0.06 0.00 0.00 34.95 33.74 3fl5 s ARG 275 CO 0.00 -0.19 0.04 -1.01 -2.50 0.00 0.00 175.30 171.65 3fl5 s HIS 276 N 1.43 0.25 0.30 5.12 3.76 -1.26 -5.00 115.29 119.90 3fl5 s HIS 276 Ca -0.02 -0.56 0.02 0.00 -0.15 0.00 0.00 55.06 54.35 3fl5 s HIS 276 Cb -0.13 -0.19 -0.03 0.00 1.11 0.00 0.00 32.58 33.34 3fl5 s HIS 276 CO -0.04 -0.31 0.48 -1.12 -0.85 0.00 0.00 174.74 172.90 3fl5 s SER 277 N -1.99 6.31 0.22 1.40 0.01 -1.26 -2.01 113.70 116.39 3fl5 s SER 277 Ca -0.07 0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.22 3fl5 s SER 277 Cb -0.03 -1.98 -0.09 0.00 0.21 0.00 0.00 66.02 64.13 3fl5 s SER 277 CO -0.04 -0.21 1.32 -0.60 0.41 0.00 0.00 173.24 174.12 3fl5 s ARG 278 N -4.14 4.38 -0.40 12.44 3.52 -1.26 -4.10 118.95 129.39 3fl5 s ARG 278 Ca 0.38 2.10 -0.11 0.00 -0.13 0.00 0.00 55.73 57.96 3fl5 s ARG 278 Cb -0.10 -3.17 0.04 0.00 -1.56 0.00 0.00 34.95 30.17 3fl5 s ARG 278 CO 0.33 -0.25 0.24 0.21 -0.81 0.00 0.00 175.30 175.02 3fl5 s LYS 279 N -0.38 2.81 0.33 5.12 2.20 0.14 -4.95 119.74 125.00 3fl5 s LYS 279 Ca 0.56 -1.17 -0.26 0.00 -0.36 0.00 0.00 55.97 54.74 3fl5 s LYS 279 Cb -0.37 -3.80 -0.14 0.00 -1.51 0.00 0.00 37.83 32.01 3fl5 s LYS 279 CO 0.41 -0.78 0.78 -2.30 -0.36 0.00 0.00 175.35 173.09 3fl5 n PRO 280 N 5.02 0.88 -0.01 4.03 -0.02 -1.26 -4.80 135.00 138.84 3fl5 n PRO 280 Ca -0.11 0.31 0.07 0.00 -2.02 0.00 0.00 63.50 61.75 3fl5 n PRO 280 Cb 0.45 -1.62 0.48 0.00 -0.02 0.00 0.00 33.50 32.79 3fl5 n PRO 280 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 3fl5 h TRP 281 N 1.38 0.43 0.00 6.00 4.06 -1.97 -2.23 115.95 123.62 3fl5 h TRP 281 Ca -0.38 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.56 3fl5 h TRP 281 Cb 1.38 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 29.39 3fl5 h TRP 281 CO 0.42 0.25 -0.08 1.25 -3.56 0.00 0.00 178.44 176.72 3fl5 h LEU 282 N 0.44 0.00 -0.50 -4.49 5.85 -1.99 -1.97 115.31 112.65 3fl5 h LEU 282 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3fl5 h LEU 282 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3fl5 h LEU 282 CO -0.05 0.08 0.00 0.29 -0.34 0.00 0.00 178.44 178.43 3fl5 n LYS 283 N -3.40 0.11 0.00 1.25 5.02 -0.84 -2.04 118.16 118.26 3fl5 n LYS 283 Ca -0.01 0.40 0.12 0.00 -2.02 0.00 0.00 58.31 56.79 3fl5 n LYS 283 Cb 0.24 -1.74 0.26 0.00 -0.02 0.00 0.00 35.03 33.77 3fl5 n LYS 283 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3fl5 n PHE 284 N -1.95 0.00 -2.30 2.13 3.72 -0.74 -4.92 117.46 113.39 3fl5 n PHE 284 Ca 0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.01 3fl5 n PHE 284 Cb 0.17 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 3fl5 n PHE 284 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 3fl5 s MET 285 N -2.83 4.46 0.35 -1.08 1.75 -0.87 -4.95 119.30 116.13 3fl5 s MET 285 Ca 0.15 1.96 0.01 0.00 -1.25 0.00 0.00 55.69 56.57 3fl5 s MET 285 Cb 0.18 -3.20 -0.00 0.00 2.84 0.00 0.00 34.83 34.64 3fl5 s MET 285 CO 0.65 -0.13 0.44 0.54 -0.65 0.00 0.00 175.02 175.87 3fl5 s ASN 286 N 0.04 1.24 0.61 1.11 2.20 -1.26 -5.01 114.94 113.87 3fl5 s ASN 286 Ca 0.53 -1.61 0.38 0.00 -0.94 0.00 0.00 52.86 51.22 3fl5 s ASN 286 Cb -0.35 0.65 1.92 0.00 -2.00 0.00 0.00 41.25 41.48 3fl5 s ASN 286 CO 0.39 -1.27 2.20 0.00 -2.94 0.00 0.00 177.10 175.48 3fl5 h ALA 287 N 2.08 1.05 0.00 3.54 0.00 -2.00 0.12 119.26 124.05 3fl5 h ALA 287 Ca -0.27 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 3fl5 h ALA 287 Cb 1.24 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3fl5 h ALA 287 CO 0.38 0.02 -0.70 -0.44 0.00 0.00 0.00 179.25 178.50 3fl5 h ASP 288 N 0.00 0.00 0.00 0.00 3.32 -1.96 -3.38 116.42 114.39 3fl5 h ASP 288 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fl5 h ASP 288 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3fl5 h ASP 288 CO 0.00 0.70 0.00 -0.46 -1.72 0.00 0.00 179.24 177.77 3fl5 n ASN 289 N -3.45 0.71 -0.35 6.45 0.23 -0.64 -4.77 115.26 113.44 3fl5 n ASN 289 Ca 0.00 -0.91 0.12 0.00 -0.53 0.00 0.00 54.58 53.26 3fl5 n ASN 289 Cb 0.75 0.14 0.31 0.00 -2.08 0.00 0.00 39.78 38.90 3fl5 n ASN 289 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 3fl5 h GLN 290 N 0.00 0.78 0.00 -3.83 4.15 -1.00 0.06 115.11 115.27 3fl5 h GLN 290 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3fl5 h GLN 290 Cb 0.06 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.58 3fl5 h GLN 290 CO 0.00 0.52 0.00 -2.39 -1.93 0.00 0.00 178.83 175.03 3fl5 n HIS 291 N -4.72 0.00 -0.02 3.99 1.44 -1.26 -2.84 115.22 111.81 3fl5 n HIS 291 Ca 0.22 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 3fl5 n HIS 291 Cb 0.53 -0.38 -0.06 0.00 0.12 0.00 0.00 29.99 30.21 3fl5 n HIS 291 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3fl5 n LEU 292 N -1.38 0.00 -4.57 2.39 4.77 -0.04 -4.70 117.00 113.48 3fl5 n LEU 292 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 3fl5 n LEU 292 Cb 0.08 0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3fl5 n LEU 292 CO 0.07 0.08 0.46 -0.69 -1.33 0.00 0.00 177.39 175.97 3fl5 s VAL 293 N -2.36 4.82 0.17 4.08 1.01 -0.94 -4.91 120.40 122.27 3fl5 s VAL 293 Ca -0.03 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.65 3fl5 s VAL 293 Cb 0.04 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3fl5 s VAL 293 CO 0.30 -0.40 -0.15 -0.94 0.00 0.00 0.00 175.10 173.91 3fl5 s SER 294 N 1.85 2.37 0.51 3.32 1.04 -1.26 -4.93 113.70 116.59 3fl5 s SER 294 Ca 0.27 -0.93 0.24 0.00 0.48 0.00 0.00 55.95 56.01 3fl5 s SER 294 Cb -0.14 -0.11 1.34 0.00 0.10 0.00 0.00 66.02 67.21 3fl5 s SER 294 CO 0.16 -0.15 1.98 -0.65 0.98 0.00 0.00 173.24 175.56 3fl5 h PRO 295 N 2.98 0.07 -0.31 4.02 0.11 -1.99 -1.02 132.00 135.86 3fl5 h PRO 295 Ca -0.39 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.53 3fl5 h PRO 295 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fl5 h PRO 295 CO 0.57 0.04 -0.51 0.93 -0.21 0.00 0.00 178.00 178.82 3fl5 h GLU 296 N 0.07 0.89 -0.45 1.05 4.39 -1.98 -0.68 114.58 117.87 3fl5 h GLU 296 Ca 0.28 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 3fl5 h GLU 296 Cb 1.01 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 3fl5 h GLU 296 CO -0.02 1.19 0.25 0.00 -1.16 0.00 0.00 179.01 179.27 3fl5 h ALA 297 N 0.70 0.58 -0.50 3.43 0.00 -1.67 -1.42 119.26 120.37 3fl5 h ALA 297 Ca 0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3fl5 h ALA 297 Cb 1.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3fl5 h ALA 297 CO 0.12 0.09 -0.17 0.82 0.00 0.00 0.00 179.25 180.11 3fl5 h ILE 298 N 0.59 1.27 -0.66 0.00 2.04 -1.23 0.53 117.51 120.05 3fl5 h ILE 298 Ca 0.16 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.66 3fl5 h ILE 298 Cb 0.04 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3fl5 h ILE 298 CO -0.03 0.46 0.29 -0.78 0.00 0.00 0.00 178.15 178.10 3fl5 h ASP 299 N 0.87 0.88 0.23 1.72 3.58 -0.98 0.14 116.42 122.87 3fl5 h ASP 299 Ca 0.12 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 3fl5 h ASP 299 Cb 0.74 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.57 3fl5 h ASP 299 CO 0.06 0.79 -0.11 0.15 -2.88 0.00 0.00 179.24 177.25 3fl5 h PHE 300 N 0.92 -0.29 -0.60 0.28 3.57 -1.11 -2.87 116.94 116.83 3fl5 h PHE 300 Ca 0.22 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.80 3fl5 h PHE 300 Cb 0.16 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 3fl5 h PHE 300 CO 0.01 -0.01 0.24 1.25 -2.23 0.00 0.00 178.31 177.57 3fl5 h LEU 301 N -0.55 0.27 -1.19 0.59 5.85 -0.79 -2.50 115.31 116.99 3fl5 h LEU 301 Ca -0.03 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3fl5 h LEU 301 Cb 0.40 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3fl5 h LEU 301 CO 0.05 0.16 0.57 -0.78 -0.34 0.00 0.00 178.44 178.10 3fl5 h ASP 302 N 0.44 0.84 0.84 1.25 3.58 -0.67 -0.72 116.42 121.98 3fl5 h ASP 302 Ca 0.30 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.76 3fl5 h ASP 302 Cb 0.34 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.23 3fl5 h ASP 302 CO -0.28 0.53 0.00 0.29 -2.88 0.00 0.00 179.24 176.89 3fl5 n LYS 303 N -4.50 0.15 -0.13 0.28 5.02 -0.96 -3.84 118.16 114.18 3fl5 n LYS 303 Ca 0.14 0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.17 3fl5 n LYS 303 Cb 0.24 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.64 3fl5 n LYS 303 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3fl5 n LEU 304 N -1.43 1.95 -4.35 -0.35 4.77 -0.38 -2.16 117.00 115.05 3fl5 n LEU 304 Ca 0.09 0.36 -0.43 0.00 -0.03 0.00 0.00 56.01 56.00 3fl5 n LEU 304 Cb 0.30 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 3fl5 n LEU 304 CO 0.25 0.48 1.85 0.18 -1.33 0.00 0.00 177.39 178.82 3fl5 n LEU 305 N -4.29 5.48 -4.19 2.23 4.77 -0.59 -4.53 117.00 115.87 3fl5 n LEU 305 Ca -0.46 -4.23 -0.30 0.00 -0.03 0.00 0.00 56.01 50.99 3fl5 n LEU 305 Cb 0.82 -1.66 -0.17 0.00 -2.33 0.00 0.00 43.42 40.08 3fl5 n LEU 305 CO 0.09 0.62 -0.54 -0.13 -1.33 0.00 0.00 177.39 176.11 3fl5 s ARG 306 N 2.66 2.47 0.18 3.23 1.81 -1.26 -4.92 118.95 123.12 3fl5 s ARG 306 Ca 0.47 -0.77 -0.19 0.00 -1.72 0.00 0.00 55.73 53.52 3fl5 s ARG 306 Cb 0.03 -1.99 0.13 0.00 -0.45 0.00 0.00 34.95 32.67 3fl5 s ARG 306 CO 0.02 0.23 1.61 1.88 -0.68 0.00 0.00 175.30 178.37 3fl5 h TYR 307 N 6.45 -0.64 -3.05 -0.53 0.05 -1.91 -3.39 116.97 113.95 3fl5 h TYR 307 Ca -0.27 0.06 -0.57 0.00 0.05 0.00 0.00 58.73 58.00 3fl5 h TYR 307 Cb 1.20 0.36 -0.04 0.00 1.01 0.00 0.00 36.73 39.26 3fl5 h TYR 307 CO 0.45 -0.33 1.06 0.34 -1.05 0.00 0.00 178.16 178.63 3fl5 s ASP 308 N -5.15 6.46 0.48 3.88 -1.08 -1.26 -4.71 116.67 115.29 3fl5 s ASP 308 Ca -0.14 1.22 0.13 0.00 -0.52 0.00 0.00 52.55 53.24 3fl5 s ASP 308 Cb 0.16 -2.54 1.11 0.00 -1.46 0.00 0.00 42.92 40.19 3fl5 s ASP 308 CO 0.70 -1.26 2.10 1.12 0.52 0.00 0.00 175.17 178.36 3fl5 h HIS 309 N 10.25 0.17 0.00 -5.34 2.07 -1.95 -1.33 115.15 119.03 3fl5 h HIS 309 Ca -0.29 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.21 3fl5 h HIS 309 Cb 1.12 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 31.04 3fl5 h HIS 309 CO 0.92 0.13 -0.09 1.96 -3.07 0.00 0.00 177.93 177.77 3fl5 h GLN 310 N 0.18 0.00 0.00 5.12 4.20 -1.93 -3.08 115.11 119.60 3fl5 h GLN 310 Ca 0.05 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3fl5 h GLN 310 Cb 0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3fl5 h GLN 310 CO -0.01 0.09 -0.62 0.93 -0.67 0.00 0.00 178.83 178.56 3fl5 h GLU 311 N 0.00 0.00 -7.04 1.46 5.08 -1.62 -3.48 114.58 108.98 3fl5 h GLU 311 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3fl5 h GLU 311 Cb 0.48 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.85 3fl5 h GLU 311 CO 0.01 0.17 0.55 1.03 -1.00 0.00 0.00 179.01 179.77 3fl5 s ARG 312 N -3.14 3.26 0.37 2.33 0.52 -1.17 -4.97 118.95 116.14 3fl5 s ARG 312 Ca 0.03 2.05 -0.28 0.00 -0.52 0.00 0.00 55.73 57.00 3fl5 s ARG 312 Cb 0.07 -2.24 -0.11 0.00 0.52 0.00 0.00 34.95 33.20 3fl5 s ARG 312 CO 0.74 -1.04 1.48 -0.51 0.02 0.00 0.00 175.30 176.00 3fl5 s LEU 313 N -3.50 4.33 0.83 2.53 1.43 -0.92 -5.02 118.68 118.37 3fl5 s LEU 313 Ca 0.71 3.02 -0.12 0.00 -1.03 0.00 0.00 54.13 56.71 3fl5 s LEU 313 Cb -0.36 -3.66 0.09 0.00 0.03 0.00 0.00 46.19 42.29 3fl5 s LEU 313 CO 0.42 -0.85 1.10 0.42 0.23 0.00 0.00 176.35 177.67 3fl5 s THR 314 N -1.02 2.81 0.30 5.49 -4.23 -1.26 -4.88 115.64 112.86 3fl5 s THR 314 Ca 0.53 0.26 0.03 0.00 -1.18 0.00 0.00 61.69 61.33 3fl5 s THR 314 Cb -0.46 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 70.51 3fl5 s THR 314 CO 0.61 -0.35 1.79 0.00 -0.54 0.00 0.00 174.62 176.13 3fl5 h ALA 315 N -1.22 1.21 -0.38 3.99 0.00 -1.94 -1.31 119.26 119.60 3fl5 h ALA 315 Ca -0.48 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.03 3fl5 h ALA 315 Cb 1.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3fl5 h ALA 315 CO 0.59 0.51 -0.25 1.25 0.00 0.00 0.00 179.25 181.35 3fl5 h LEU 316 N 0.50 0.89 -0.54 0.00 5.85 -1.93 -2.43 115.31 117.64 3fl5 h LEU 316 Ca 0.09 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 3fl5 h LEU 316 Cb 0.50 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3fl5 h LEU 316 CO 0.03 1.13 0.25 -0.33 -0.34 0.00 0.00 178.44 179.18 3fl5 h GLU 317 N 0.65 0.78 -0.99 1.25 5.08 -1.91 -3.15 114.58 116.30 3fl5 h GLU 317 Ca 0.08 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3fl5 h GLU 317 Cb 0.82 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 3fl5 h GLU 317 CO 0.07 0.65 0.65 0.00 -1.00 0.00 0.00 179.01 179.38 3fl5 h ALA 318 N 1.09 1.25 0.00 3.43 0.00 -1.06 -2.27 119.26 121.70 3fl5 h ALA 318 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3fl5 h ALA 318 Cb 0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3fl5 h ALA 318 CO -0.02 0.64 -0.13 0.52 0.00 0.00 0.00 179.25 180.26 3fl5 h MET 319 N 1.34 0.00 -0.01 0.00 2.86 -1.40 -2.40 114.93 115.32 3fl5 h MET 319 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 3fl5 h MET 319 Cb -0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.50 3fl5 h MET 319 CO -0.08 0.13 -0.33 0.25 1.06 0.00 0.00 176.91 177.95 3fl5 n THR 320 N -3.95 0.00 -1.72 2.22 -2.24 -0.87 -4.77 114.28 102.95 3fl5 n THR 320 Ca -0.02 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 3fl5 n THR 320 Cb 0.22 0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 69.04 3fl5 n THR 320 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3fl5 n HIS 321 N -0.54 2.55 0.27 4.78 -0.00 -0.90 -4.84 115.22 116.53 3fl5 n HIS 321 Ca 0.11 0.43 0.14 0.00 0.46 0.00 0.00 57.72 58.87 3fl5 n HIS 321 Cb 0.38 -2.49 0.76 0.00 -0.12 0.00 0.00 29.99 28.51 3fl5 n HIS 321 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3fl5 h PRO 322 N 3.52 0.00 -0.98 1.57 0.11 -1.92 -1.31 132.00 132.99 3fl5 h PRO 322 Ca -0.47 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.80 3fl5 h PRO 322 Cb 1.26 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.27 3fl5 h PRO 322 CO 0.70 0.00 0.60 -0.92 -0.21 0.00 0.00 178.00 178.16 3fl5 h TYR 323 N 0.00 1.06 -0.50 0.65 3.20 -1.88 -2.03 116.97 117.47 3fl5 h TYR 323 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3fl5 h TYR 323 Cb 0.40 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3fl5 h TYR 323 CO 0.00 0.31 0.00 1.19 -1.64 0.00 0.00 178.16 178.02 3fl5 n PHE 324 N -4.73 0.67 -0.20 -3.82 3.72 -0.49 -4.57 117.46 108.03 3fl5 n PHE 324 Ca 0.21 -0.33 -0.01 0.00 -0.05 0.00 0.00 57.45 57.26 3fl5 n PHE 324 Cb 0.48 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.07 3fl5 n PHE 324 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3fl5 h GLN 325 N 3.08 -0.03 -0.18 -1.08 -0.00 -1.47 0.01 115.11 115.44 3fl5 h GLN 325 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.57 3fl5 h GLN 325 Cb 0.70 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.18 3fl5 h GLN 325 CO 0.00 -0.02 -0.23 0.37 0.00 0.00 0.00 178.83 178.95 3fl5 h GLN 326 N -0.03 0.32 -0.30 1.69 4.15 -1.83 -0.99 115.11 118.13 3fl5 h GLN 326 Ca 0.29 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.54 3fl5 h GLN 326 Cb 0.47 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 3fl5 h GLN 326 CO -0.64 0.54 -0.04 0.28 -1.93 0.00 0.00 178.83 177.04 3fl5 h VAL 327 N 0.29 1.27 -0.04 2.39 2.07 -1.38 -1.44 116.25 119.41 3fl5 h VAL 327 Ca 0.05 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3fl5 h VAL 327 Cb 0.57 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3fl5 h VAL 327 CO 0.04 0.33 0.03 0.03 0.02 0.00 0.00 177.57 178.02 3fl5 h ARG 328 N 0.34 0.05 -0.26 1.57 3.08 -0.98 -0.03 114.38 118.16 3fl5 h ARG 328 Ca 0.08 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3fl5 h ARG 328 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3fl5 h ARG 328 CO 0.02 0.06 0.06 0.00 -1.07 0.00 0.00 179.97 179.04 3fl5 h ALA 329 N 0.99 1.63 0.03 0.04 0.00 -1.10 -0.94 119.26 119.91 3fl5 h ALA 329 Ca 0.01 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 3fl5 h ALA 329 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3fl5 h ALA 329 CO -0.00 0.29 -0.97 0.00 0.00 0.00 0.00 179.25 178.56 3fl5 h ALA 330 N 1.71 0.39 0.00 0.00 0.00 -1.16 -3.51 119.26 116.68 3fl5 h ALA 330 Ca 0.09 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3fl5 h ALA 330 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fl5 h ALA 330 CO -0.00 0.93 0.00 -1.91 0.00 0.00 0.00 179.25 178.27