#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3afl s THR 12 N 0.00 2.37 0.30 1.69 2.01 -0.77 -4.80 115.64 116.44 3afl s THR 12 Ca 0.00 0.12 -0.25 0.00 0.31 0.00 0.00 61.69 61.87 3afl s THR 12 Cb 0.00 -2.35 -0.10 0.00 0.01 0.00 0.00 72.50 70.06 3afl s THR 12 CO 0.00 -0.16 0.90 -0.22 -0.69 0.00 0.00 174.62 174.45 3afl s LEU 13 N -6.57 4.33 -0.19 4.42 2.96 -1.26 -3.15 118.68 119.22 3afl s LEU 13 Ca 0.66 1.74 -0.14 0.00 -0.22 0.00 0.00 54.13 56.17 3afl s LEU 13 Cb -0.21 -3.93 -0.04 0.00 0.50 0.00 0.00 46.19 42.50 3afl s LEU 13 CO 0.59 -0.05 0.32 -0.22 -1.32 0.00 0.00 176.35 175.67 3afl s LEU 14 N -2.06 4.18 -0.11 -0.68 2.96 -1.26 -4.93 118.68 116.79 3afl s LEU 14 Ca 0.49 0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 54.55 3afl s LEU 14 Cb -0.18 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 3afl s LEU 14 CO 0.23 0.01 0.98 -0.62 -1.32 0.00 0.00 176.35 175.63 3afl s ASP 15 N 0.83 7.21 -0.72 3.68 2.15 -1.26 -4.99 116.67 123.58 3afl s ASP 15 Ca 0.16 1.49 0.03 0.00 0.43 0.00 0.00 52.55 54.66 3afl s ASP 15 Cb -0.14 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.12 3afl s ASP 15 CO 0.06 -0.42 0.52 -1.61 -0.17 0.00 0.00 175.17 173.55 3afl s GLU 16 N 1.94 2.59 0.61 4.34 2.02 -1.26 -4.44 118.70 124.50 3afl s GLU 16 Ca 0.47 -3.19 -0.19 0.00 0.02 0.00 0.00 54.97 52.08 3afl s GLU 16 Cb -0.18 -3.55 -0.03 0.00 0.10 0.00 0.00 34.13 30.47 3afl s GLU 16 CO 0.18 -1.25 1.25 -1.25 0.02 0.00 0.00 175.26 174.20 3afl s PRO 17 N -1.20 2.85 0.14 0.39 0.04 -1.26 -4.96 135.00 130.98 3afl s PRO 17 Ca 0.24 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 3afl s PRO 17 Cb -0.09 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 3afl s PRO 17 CO -0.13 -1.33 1.25 1.03 0.04 0.00 0.00 177.00 177.86 3afl s ARG 18 N -3.31 4.43 1.03 4.56 0.52 -1.26 -4.93 118.95 119.98 3afl s ARG 18 Ca 0.79 1.91 -0.11 0.00 -0.52 0.00 0.00 55.73 57.79 3afl s ARG 18 Cb -0.33 -3.27 0.21 0.00 0.52 0.00 0.00 34.95 32.08 3afl s ARG 18 CO 0.36 -0.23 1.10 -2.14 0.02 0.00 0.00 175.30 174.41 3afl s PRO 19 N 0.41 0.14 0.28 3.54 0.02 -1.26 -5.06 135.00 133.07 3afl s PRO 19 Ca 0.57 1.28 0.02 0.00 0.02 0.00 0.00 61.00 62.89 3afl s PRO 19 Cb -0.33 -1.65 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 3afl s PRO 19 CO 0.33 -3.14 0.08 0.20 -0.33 0.00 0.00 177.00 174.15 3afl s GLY 20 N -2.56 1.87 0.42 0.52 0.00 -1.26 -5.05 107.32 101.26 3afl s GLY 20 Ca 0.68 -1.93 0.13 0.00 0.00 0.00 0.00 44.72 43.60 3afl s GLY 20 CO 0.61 -1.68 1.93 1.48 0.00 0.00 0.00 173.10 175.45 3afl h SER 21 N 2.28 0.02 -0.26 1.64 4.64 -1.97 -2.98 113.55 116.92 3afl h SER 21 Ca -0.39 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3afl h SER 21 Cb 1.25 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3afl h SER 21 CO 0.64 0.26 0.00 0.18 -0.87 0.00 0.00 176.83 177.04 3afl n LEU 22 N -4.25 3.71 -4.88 5.97 4.77 -1.26 -4.98 117.00 116.08 3afl n LEU 22 Ca -0.02 -2.88 -0.24 0.00 -0.03 0.00 0.00 56.01 52.84 3afl n LEU 22 Cb 0.30 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 3afl n LEU 22 CO 0.37 0.68 0.02 0.42 -1.33 0.00 0.00 177.39 177.55 3afl s THR 23 N -2.58 2.09 0.98 -5.08 -4.23 -1.13 -4.14 115.64 101.57 3afl s THR 23 Ca 0.39 -1.45 -0.14 0.00 -1.18 0.00 0.00 61.69 59.31 3afl s THR 23 Cb 0.31 -2.54 0.18 0.00 1.34 0.00 0.00 72.50 71.79 3afl s THR 23 CO 0.10 0.00 1.15 0.27 -0.54 0.00 0.00 174.62 175.60 3afl s ILE 24 N -2.65 1.92 0.36 2.99 -4.36 -0.35 -4.79 121.20 114.33 3afl s ILE 24 Ca 0.41 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.81 3afl s ILE 24 Cb -0.02 -2.71 0.01 0.00 1.25 0.00 0.00 42.46 40.99 3afl s ILE 24 CO 0.24 0.00 0.06 0.61 0.24 0.00 0.00 174.94 176.09 3afl n GLY 25 N -2.09 3.56 3.52 6.27 0.00 -1.26 -4.59 105.19 110.60 3afl n GLY 25 Ca 0.09 -2.31 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 3afl n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3afl s TYR 26 N -2.21 3.15 -0.00 1.61 1.51 -1.26 -4.07 117.35 116.08 3afl s TYR 26 Ca 0.05 -0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.08 3afl s TYR 26 Cb -0.00 -3.00 -0.01 0.00 -0.11 0.00 0.00 41.96 38.83 3afl s TYR 26 CO 0.03 -0.66 -0.11 -1.21 -1.11 0.00 0.00 175.55 172.49 3afl s GLU 27 N 2.40 0.85 0.40 -0.62 2.02 -0.77 -4.37 118.70 118.61 3afl s GLU 27 Ca 0.17 -0.44 -0.02 0.00 0.02 0.00 0.00 54.97 54.71 3afl s GLU 27 Cb -0.16 -0.82 -0.03 0.00 0.10 0.00 0.00 34.13 33.22 3afl s GLU 27 CO 0.15 0.22 0.65 -1.25 0.02 0.00 0.00 175.26 175.05 3afl s PRO 28 N -0.41 3.50 0.27 0.39 0.04 -1.24 -1.89 135.00 135.67 3afl s PRO 28 Ca 0.03 -0.12 -0.03 0.00 0.04 0.00 0.00 61.00 60.92 3afl s PRO 28 Cb -0.05 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 3afl s PRO 28 CO -0.00 -0.00 0.34 -1.54 0.04 0.00 0.00 177.00 175.83 3afl s SER 29 N -4.07 0.53 0.36 6.66 1.04 -0.67 -4.54 113.70 113.02 3afl s SER 29 Ca 0.43 -1.36 0.09 0.00 0.48 0.00 0.00 55.95 55.59 3afl s SER 29 Cb -0.10 0.54 0.81 0.00 0.10 0.00 0.00 66.02 67.37 3afl s SER 29 CO 0.40 -1.08 1.88 -0.08 0.98 0.00 0.00 173.24 175.34 3afl h GLU 30 N 2.31 0.68 0.00 4.02 4.57 -1.75 -0.32 114.58 124.09 3afl h GLU 30 Ca -0.30 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.83 3afl h GLU 30 Cb 1.24 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3afl h GLU 30 CO 0.42 0.45 -0.08 0.93 -1.18 0.00 0.00 179.01 179.55 3afl h GLU 31 N 0.70 0.00 -1.94 1.92 3.07 -1.95 -3.39 114.58 112.99 3afl h GLU 31 Ca 0.43 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.91 3afl h GLU 31 Cb 0.65 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 28.25 3afl h GLU 31 CO -0.19 0.08 -0.70 0.00 -1.40 0.00 0.00 179.01 176.80 3afl s ALA 32 N -3.69 -0.37 0.48 3.43 0.00 -0.15 -5.15 121.76 116.31 3afl s ALA 32 Ca 0.01 -1.08 -0.22 0.00 0.00 0.00 0.00 51.96 50.66 3afl s ALA 32 Cb 0.10 -2.05 -0.07 0.00 0.00 0.00 0.00 23.12 21.09 3afl s ALA 32 CO 0.58 -2.15 1.18 -0.65 0.00 0.00 0.00 175.76 174.72 3afl s GLN 33 N 1.30 3.66 0.28 0.00 -1.52 -1.10 -1.66 119.66 120.62 3afl s GLN 33 Ca 0.19 1.79 -0.29 0.00 -1.95 0.00 0.00 55.36 55.10 3afl s GLN 33 Cb -0.14 -2.35 -0.10 0.00 -0.22 0.00 0.00 33.01 30.20 3afl s GLN 33 CO -0.03 -0.64 1.34 -1.25 -0.25 0.00 0.00 175.29 174.46 3afl s PRO 34 N -2.77 4.34 0.00 2.91 0.04 -1.26 -4.93 135.00 133.33 3afl s PRO 34 Ca 0.65 2.20 0.24 0.00 0.04 0.00 0.00 61.00 64.13 3afl s PRO 34 Cb -0.29 -3.11 0.32 0.00 0.04 0.00 0.00 34.50 31.46 3afl s PRO 34 CO 0.35 -0.26 1.33 2.41 0.04 0.00 0.00 177.00 180.87 3afl n THR 35 N 1.59 0.15 -4.03 1.26 -1.04 -1.26 -4.96 114.28 105.99 3afl n THR 35 Ca 0.03 -0.55 -0.09 0.00 -2.04 0.00 0.00 64.05 61.40 3afl n THR 35 Cb 0.42 1.27 -0.11 0.00 -1.82 0.00 0.00 70.33 70.09 3afl n THR 35 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3afl s GLU 36 N -1.85 0.44 -0.21 -2.82 2.02 -1.26 -4.31 118.70 110.71 3afl s GLU 36 Ca 0.32 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.49 3afl s GLU 36 Cb 0.21 0.09 0.03 0.00 0.10 0.00 0.00 34.13 34.55 3afl s GLU 36 CO 0.31 -0.06 -0.16 1.21 0.02 0.00 0.00 175.26 176.58 3afl s ASN 37 N -1.95 3.58 0.55 -0.19 3.84 0.36 -2.39 114.94 118.73 3afl s ASN 37 Ca -0.08 -0.81 -0.16 0.00 0.21 0.00 0.00 52.86 52.02 3afl s ASN 37 Cb -0.04 -1.53 -0.06 0.00 -0.55 0.00 0.00 41.25 39.07 3afl s ASN 37 CO -0.04 -0.05 1.01 -2.16 -2.79 0.00 0.00 177.10 173.07 3afl s PRO 38 N 1.26 3.73 0.85 0.43 0.04 -1.26 0.15 135.00 140.21 3afl s PRO 38 Ca 0.02 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 61.94 3afl s PRO 38 Cb -0.15 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.34 3afl s PRO 38 CO -0.10 -0.46 0.79 -2.30 0.04 0.00 0.00 177.00 174.97 3afl n PRO 39 N -1.80 -0.04 -3.24 0.56 -0.02 -1.00 -4.85 135.00 124.61 3afl n PRO 39 Ca 0.07 0.05 -0.39 0.00 -2.02 0.00 0.00 63.50 61.21 3afl n PRO 39 Cb 0.54 -2.11 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 3afl n PRO 39 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3afl s ARG 40 N -3.74 4.15 -0.22 -0.52 3.00 -1.26 -4.54 118.95 115.82 3afl s ARG 40 Ca 0.65 0.39 -0.06 0.00 0.00 0.00 0.00 55.73 56.71 3afl s ARG 40 Cb -0.27 -3.59 -0.03 0.00 0.00 0.00 0.00 34.95 31.06 3afl s ARG 40 CO 0.59 -0.23 0.03 -0.06 0.00 0.00 0.00 175.30 175.63 3afl s PHE 41 N 1.89 3.07 0.02 -0.53 0.40 -0.25 -3.70 117.98 118.88 3afl s PHE 41 Ca 0.23 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.14 3afl s PHE 41 Cb -0.15 -2.15 -0.01 0.00 0.51 0.00 0.00 43.02 41.21 3afl s PHE 41 CO 0.09 -0.28 -0.04 -1.54 0.70 0.00 0.00 175.22 174.16 3afl s SER 42 N 1.24 0.43 0.06 1.36 1.04 -0.79 -0.06 113.70 116.98 3afl s SER 42 Ca 0.04 -0.30 -0.11 0.00 0.48 0.00 0.00 55.95 56.06 3afl s SER 42 Cb -0.15 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.01 3afl s SER 42 CO 0.02 -0.12 0.24 -1.66 0.98 0.00 0.00 173.24 172.70 3afl s TRP 43 N -0.79 0.02 0.30 5.02 -2.14 -0.83 -1.85 118.94 118.66 3afl s TRP 43 Ca -0.07 -0.30 -0.28 0.00 2.66 0.00 0.00 56.10 58.12 3afl s TRP 43 Cb -0.06 0.02 -0.09 0.00 -3.10 0.00 0.00 33.47 30.24 3afl s TRP 43 CO -0.00 -0.51 1.01 -0.51 -2.66 0.00 0.00 176.95 174.28 3afl s LEU 44 N -2.40 4.46 0.82 -4.66 1.43 -1.26 -4.74 118.68 112.32 3afl s LEU 44 Ca -0.01 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 3afl s LEU 44 Cb 0.01 -3.81 0.08 0.00 0.03 0.00 0.00 46.19 42.51 3afl s LEU 44 CO -0.07 -0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.34 3afl s PRO 45 N -1.69 1.91 1.11 1.29 0.04 -1.26 -4.80 135.00 131.59 3afl s PRO 45 Ca 0.47 0.91 -0.17 0.00 0.04 0.00 0.00 61.00 62.25 3afl s PRO 45 Cb -0.26 -1.88 0.25 0.00 0.04 0.00 0.00 34.50 32.66 3afl s PRO 45 CO 0.32 -1.82 1.15 0.34 0.04 0.00 0.00 177.00 177.03 3afl s ASP 46 N -3.54 1.74 0.38 6.66 2.15 -1.26 -4.75 116.67 118.05 3afl s ASP 46 Ca 0.62 0.67 0.10 0.00 0.43 0.00 0.00 52.55 54.36 3afl s ASP 46 Cb -0.17 -0.96 0.77 0.00 -0.30 0.00 0.00 42.92 42.26 3afl s ASP 46 CO 0.56 -3.62 1.89 -0.29 -0.17 0.00 0.00 175.17 173.54 3afl h ILE 47 N -2.24 1.20 -1.48 4.11 6.09 -1.95 -3.39 117.51 119.85 3afl h ILE 47 Ca -0.47 -0.89 -0.65 0.00 -1.37 0.00 0.00 64.86 61.48 3afl h ILE 47 Cb 1.29 1.32 -0.12 0.00 0.47 0.00 0.00 36.82 39.78 3afl h ILE 47 CO 0.40 0.27 1.46 -0.62 -3.07 0.00 0.00 178.15 176.60 3afl s ASP 48 N -6.90 6.65 0.53 2.19 -1.08 -1.26 -4.89 116.67 111.91 3afl s ASP 48 Ca -0.05 -1.93 0.35 0.00 -0.52 0.00 0.00 52.55 50.39 3afl s ASP 48 Cb 0.15 -2.51 1.50 0.00 -1.46 0.00 0.00 42.92 40.60 3afl s ASP 48 CO 0.73 -1.26 1.80 -0.78 0.52 0.00 0.00 175.17 176.18 3afl h ASP 49 N 8.88 0.05 -3.01 -0.34 3.58 -2.00 -2.74 116.42 120.85 3afl h ASP 49 Ca 0.25 0.01 -0.75 0.00 0.42 0.00 0.00 57.03 56.96 3afl h ASP 49 Cb 0.97 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 41.81 3afl h ASP 49 CO 1.34 0.01 0.63 -0.83 -2.88 0.00 0.00 179.24 177.51 3afl s GLY 50 N -3.95 2.47 0.03 -0.78 0.00 -1.26 -5.01 107.32 98.82 3afl s GLY 50 Ca -0.05 -3.23 -0.05 0.00 0.00 0.00 0.00 44.72 41.38 3afl s GLY 50 CO 0.81 1.67 0.10 0.00 0.00 0.00 0.00 173.10 175.67 3afl s ALA 51 N 1.02 -0.12 0.07 3.20 0.00 -1.04 -5.16 121.76 119.73 3afl s ALA 51 Ca 0.29 -0.44 0.09 0.00 0.00 0.00 0.00 51.96 51.91 3afl s ALA 51 Cb -0.07 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 3afl s ALA 51 CO -0.07 -0.27 -0.25 1.03 0.00 0.00 0.00 175.76 176.20 3afl s ARG 52 N -2.15 1.57 0.33 0.00 0.52 -1.26 -4.79 118.95 113.16 3afl s ARG 52 Ca -0.09 -1.12 0.09 0.00 -0.52 0.00 0.00 55.73 54.08 3afl s ARG 52 Cb -0.04 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 3afl s ARG 52 CO -0.02 0.45 0.10 0.71 0.02 0.00 0.00 175.30 176.56 3afl s TYR 53 N -0.88 2.69 -0.03 -0.53 1.51 -0.44 0.12 117.35 119.78 3afl s TYR 53 Ca 0.11 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 3afl s TYR 53 Cb -0.10 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 3afl s TYR 53 CO 0.03 0.40 -0.09 0.54 -1.11 0.00 0.00 175.55 175.33 3afl s VAL 54 N -2.42 0.78 -0.09 0.71 0.11 -0.55 -1.12 120.40 117.82 3afl s VAL 54 Ca 0.36 -0.33 0.04 0.00 -2.93 0.00 0.00 61.98 59.12 3afl s VAL 54 Cb -0.03 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 3afl s VAL 54 CO 0.22 0.25 -0.21 -0.22 -3.33 0.00 0.00 175.10 171.81 3afl s LEU 55 N 0.37 2.26 -0.08 2.54 2.96 0.55 -1.24 118.68 126.04 3afl s LEU 55 Ca -0.06 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3afl s LEU 55 Cb -0.10 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3afl s LEU 55 CO 0.01 0.19 -0.07 -0.13 -1.32 0.00 0.00 176.35 175.03 3afl s ARG 56 N 0.15 2.87 -0.01 1.98 0.52 0.46 -1.03 118.95 123.89 3afl s ARG 56 Ca -0.12 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 3afl s ARG 56 Cb -0.16 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.69 3afl s ARG 56 CO 0.06 0.60 -0.01 0.42 0.02 0.00 0.00 175.30 176.40 3afl s ILE 57 N -0.65 0.14 -0.17 1.52 1.01 -0.30 -2.24 121.20 120.51 3afl s ILE 57 Ca 0.10 -0.02 -0.28 0.00 0.00 0.00 0.00 60.65 60.45 3afl s ILE 57 Cb -0.11 -0.16 0.08 0.00 0.01 0.00 0.00 42.46 42.28 3afl s ILE 57 CO 0.02 0.07 0.78 -0.55 0.00 0.00 0.00 174.94 175.26 3afl s SER 58 N 0.30 -0.63 0.45 3.58 0.15 -0.38 0.06 113.70 117.23 3afl s SER 58 Ca -0.03 0.95 0.25 0.00 0.70 0.00 0.00 55.95 57.82 3afl s SER 58 Cb -0.05 0.87 0.66 0.00 -1.71 0.00 0.00 66.02 65.80 3afl s SER 58 CO -0.01 -0.39 1.72 0.71 1.20 0.00 0.00 173.24 176.47 3afl h THR 59 N 3.36 0.21 -3.26 6.45 1.35 -1.76 0.29 112.91 119.55 3afl h THR 59 Ca -0.27 -1.07 -0.58 0.00 -0.55 0.00 0.00 66.41 63.94 3afl h THR 59 Cb 1.15 1.89 -0.07 0.00 -1.73 0.00 0.00 68.15 69.40 3afl h THR 59 CO 0.23 0.11 0.49 -0.62 -0.25 0.00 0.00 175.52 175.47 3afl s ASP 60 N -6.11 6.95 0.47 5.36 2.15 -1.26 -4.81 116.67 119.42 3afl s ASP 60 Ca 0.04 1.18 0.31 0.00 0.43 0.00 0.00 52.55 54.51 3afl s ASP 60 Cb 0.07 -2.47 1.34 0.00 -0.30 0.00 0.00 42.92 41.57 3afl s ASP 60 CO 0.64 -0.48 1.93 1.55 -0.17 0.00 0.00 175.17 178.64 3afl h PRO 61 N 7.46 0.00 -0.01 4.34 0.13 -1.96 -1.67 132.00 140.29 3afl h PRO 61 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3afl h PRO 61 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3afl h PRO 61 CO 0.87 0.00 -0.06 0.41 -0.23 0.00 0.00 178.00 178.99 3afl n GLY 62 N -0.12 -0.55 3.81 1.56 0.00 -1.26 -4.97 105.19 103.65 3afl n GLY 62 Ca 0.01 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 3afl n GLY 62 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3afl n PHE 63 N -0.49 -2.04 -1.99 1.61 3.01 -0.63 -4.96 117.46 111.96 3afl n PHE 63 Ca 0.18 0.86 -0.36 0.00 1.01 0.00 0.00 57.45 59.14 3afl n PHE 63 Cb 0.28 -4.16 0.03 0.00 -0.01 0.00 0.00 39.48 35.62 3afl n PHE 63 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 3afl s THR 64 N -3.55 2.72 0.19 4.37 -1.32 -1.26 -4.77 115.64 112.02 3afl s THR 64 Ca 0.27 0.43 -0.17 0.00 -1.21 0.00 0.00 61.69 61.01 3afl s THR 64 Cb -0.14 -3.14 0.16 0.00 -1.51 0.00 0.00 72.50 67.88 3afl s THR 64 CO 0.83 -0.11 1.62 0.44 -2.21 0.00 0.00 174.62 175.19 3afl h ASP 65 N 0.79 -0.74 -0.99 8.08 3.45 -1.93 -0.96 116.42 124.12 3afl h ASP 65 Ca -0.50 0.18 0.15 0.00 0.43 0.00 0.00 57.03 57.30 3afl h ASP 65 Cb 1.29 0.42 -0.09 0.00 -0.56 0.00 0.00 39.33 40.39 3afl h ASP 65 CO 0.55 -0.24 0.62 0.11 -1.57 0.00 0.00 179.24 178.71 3afl h LYS 66 N -0.08 0.84 -0.32 3.56 1.79 -2.03 -2.91 116.57 117.41 3afl h LYS 66 Ca 0.25 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3afl h LYS 66 Cb 0.47 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 3afl h LYS 66 CO -0.59 0.55 0.00 1.63 -1.08 0.00 0.00 179.45 179.96 3afl n LYS 67 N -4.67 2.89 -4.01 3.15 5.02 -0.85 -4.93 118.16 114.77 3afl n LYS 67 Ca 0.21 -2.23 -0.35 0.00 -2.02 0.00 0.00 58.31 53.92 3afl n LYS 67 Cb 0.46 -1.40 -0.12 0.00 -0.02 0.00 0.00 35.03 33.96 3afl n LYS 67 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3afl s THR 68 N -1.42 4.31 -0.05 -0.18 2.01 -0.42 -4.01 115.64 115.88 3afl s THR 68 Ca 0.27 -0.19 -0.23 0.00 0.31 0.00 0.00 61.69 61.85 3afl s THR 68 Cb 0.17 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 3afl s THR 68 CO 0.14 0.42 0.68 -0.76 -0.69 0.00 0.00 174.62 174.41 3afl s LEU 69 N 0.89 4.34 -0.09 4.42 1.43 0.11 -4.92 118.68 124.86 3afl s LEU 69 Ca 0.02 1.19 0.04 0.00 -1.03 0.00 0.00 54.13 54.36 3afl s LEU 69 Cb -0.14 -3.05 -0.00 0.00 0.03 0.00 0.00 46.19 43.03 3afl s LEU 69 CO 0.02 -0.06 -0.24 -0.69 0.23 0.00 0.00 176.35 175.62 3afl s VAL 70 N 0.54 2.02 -0.19 -1.59 1.01 -1.26 -1.15 120.40 119.77 3afl s VAL 70 Ca 0.36 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 3afl s VAL 70 Cb -0.18 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.48 3afl s VAL 70 CO 0.18 0.55 -0.15 -0.36 0.00 0.00 0.00 175.10 175.32 3afl s PHE 71 N 0.26 2.84 0.24 5.22 0.40 -0.20 -4.97 117.98 121.77 3afl s PHE 71 Ca -0.16 -1.46 0.10 0.00 -0.60 0.00 0.00 56.93 54.81 3afl s PHE 71 Cb -0.17 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 3afl s PHE 71 CO 0.08 -0.74 -0.06 -1.21 0.70 0.00 0.00 175.22 173.99 3afl s GLU 72 N 1.34 2.14 -1.18 0.44 2.02 -1.26 -0.33 118.70 121.88 3afl s GLU 72 Ca 0.05 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 53.63 3afl s GLU 72 Cb -0.14 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 31.98 3afl s GLU 72 CO -0.10 0.38 0.00 -3.47 0.02 0.00 0.00 175.26 172.09 3afl n ASP 73 N -0.55 -4.19 -4.56 -0.19 2.03 -0.95 -4.92 116.55 103.22 3afl n ASP 73 Ca -0.08 0.07 -0.39 0.00 0.52 0.00 0.00 54.79 54.91 3afl n ASP 73 Cb 0.58 -3.25 -0.03 0.00 -0.72 0.00 0.00 41.12 37.70 3afl n ASP 73 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3afl s LEU 74 N -3.56 3.37 0.40 -2.67 1.43 -0.27 -4.78 118.68 112.59 3afl s LEU 74 Ca 0.00 0.85 0.12 0.00 -1.03 0.00 0.00 54.13 54.07 3afl s LEU 74 Cb 0.00 -2.75 0.94 0.00 0.03 0.00 0.00 46.19 44.41 3afl s LEU 74 CO 0.00 -2.41 1.92 0.00 0.23 0.00 0.00 176.35 176.09 3afl h ALA 75 N 16.17 1.96 -2.01 4.21 0.00 -1.88 -1.17 119.26 136.55 3afl h ALA 75 Ca -0.28 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.07 3afl h ALA 75 Cb 1.20 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 3afl h ALA 75 CO 1.15 -0.16 -0.61 -1.58 0.00 0.00 0.00 179.25 178.05 3afl s TRP 76 N -5.52 2.61 -0.61 0.00 0.52 -1.26 -4.75 118.94 109.92 3afl s TRP 76 Ca -0.09 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.71 3afl s TRP 76 Cb 0.21 -1.41 0.26 0.00 -1.15 0.00 0.00 33.47 31.38 3afl s TRP 76 CO 0.77 0.50 1.00 0.27 0.02 0.00 0.00 176.95 179.52 3afl n ASN 77 N -0.96 2.72 -3.71 2.95 6.94 -1.26 -4.76 115.26 117.18 3afl n ASN 77 Ca -0.05 -2.36 -0.14 0.00 -0.02 0.00 0.00 54.58 52.02 3afl n ASN 77 Cb 0.61 -0.57 -0.09 0.00 -2.36 0.00 0.00 39.78 37.37 3afl n ASN 77 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3afl s PHE 78 N -1.46 -0.35 -0.12 -2.53 -0.12 -1.26 -1.96 117.98 110.18 3afl s PHE 78 Ca 0.18 0.68 -0.25 0.00 -0.05 0.00 0.00 56.93 57.49 3afl s PHE 78 Cb 0.14 0.17 0.06 0.00 -0.63 0.00 0.00 43.02 42.76 3afl s PHE 78 CO 0.05 -0.38 0.61 0.12 -0.05 0.00 0.00 175.22 175.57 3afl s PHE 79 N -0.84 -0.61 -0.11 3.49 2.19 0.91 -5.00 117.98 118.01 3afl s PHE 79 Ca -0.09 1.25 -0.01 0.00 0.33 0.00 0.00 56.93 58.41 3afl s PHE 79 Cb -0.04 0.30 0.03 0.00 -1.31 0.00 0.00 43.02 42.00 3afl s PHE 79 CO 0.04 -0.47 -0.07 0.99 1.83 0.00 0.00 175.22 177.54 3afl s THR 80 N -0.60 0.95 0.77 0.12 2.01 -1.26 -1.09 115.64 116.55 3afl s THR 80 Ca -0.07 -0.26 -0.14 0.00 0.31 0.00 0.00 61.69 61.53 3afl s THR 80 Cb -0.02 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.55 3afl s THR 80 CO 0.06 0.34 1.20 -2.84 -0.69 0.00 0.00 174.62 172.69 3afl s PRO 81 N 1.74 1.89 0.00 4.92 0.02 -1.26 -4.46 135.00 137.85 3afl s PRO 81 Ca 0.05 1.73 0.28 0.00 0.02 0.00 0.00 61.00 63.07 3afl s PRO 81 Cb -0.13 -1.81 0.98 0.00 0.02 0.00 0.00 34.50 33.57 3afl s PRO 81 CO -0.08 -2.02 1.70 -0.40 -0.33 0.00 0.00 177.00 175.88 3afl n ASP 82 N -3.05 1.23 -4.13 2.53 5.75 -1.21 -2.05 116.55 115.62 3afl n ASP 82 Ca 0.13 -1.22 -0.18 0.00 -0.01 0.00 0.00 54.79 53.51 3afl n ASP 82 Cb 0.50 0.04 -0.12 0.00 -1.03 0.00 0.00 41.12 40.51 3afl n ASP 82 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3afl s GLU 83 N -2.20 0.78 0.86 0.11 2.12 -1.26 -4.52 118.70 114.58 3afl s GLU 83 Ca 0.33 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 54.72 3afl s GLU 83 Cb 0.20 -0.74 0.10 0.00 0.26 0.00 0.00 34.13 33.96 3afl s GLU 83 CO 0.41 0.17 1.09 0.00 -0.54 0.00 0.00 175.26 176.39 3afl s ALA 84 N -1.12 1.79 -0.06 6.30 0.00 -1.26 -4.29 121.76 123.12 3afl s ALA 84 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 3afl s ALA 84 Cb -0.09 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3afl s ALA 84 CO 0.01 -2.14 0.11 -0.51 0.00 0.00 0.00 175.76 173.24 3afl s LEU 85 N -6.10 4.13 0.67 0.00 1.43 -1.26 -4.88 118.68 112.68 3afl s LEU 85 Ca 0.63 0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.86 3afl s LEU 85 Cb -0.17 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3afl s LEU 85 CO 0.56 0.34 1.12 -0.81 0.23 0.00 0.00 176.35 177.79 3afl n PRO 86 N 1.55 0.82 -0.69 1.29 -0.04 -1.26 -4.98 135.00 131.70 3afl n PRO 86 Ca -0.16 0.33 -0.31 0.00 -0.04 0.00 0.00 63.50 63.33 3afl n PRO 86 Cb 0.54 -2.35 0.17 0.00 -0.04 0.00 0.00 33.50 31.81 3afl n PRO 86 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3afl s ASP 87 N -1.48 2.79 0.00 3.54 1.11 -1.26 -4.88 116.67 116.49 3afl s ASP 87 Ca 0.78 2.15 0.00 0.00 0.18 0.00 0.00 52.55 55.66 3afl s ASP 87 Cb -0.37 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.07 3afl s ASP 87 CO 0.45 -3.18 0.00 0.61 1.18 0.00 0.00 175.17 174.23 3afl n GLY 88 N 0.24 0.87 3.67 0.21 0.00 -0.90 -4.95 105.19 104.32 3afl n GLY 88 Ca 0.11 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 3afl n GLY 88 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3afl s HIS 89 N -1.23 3.37 0.23 1.61 2.46 -1.26 -1.62 115.29 118.84 3afl s HIS 89 Ca 0.00 0.61 0.11 0.00 0.47 0.00 0.00 55.06 56.25 3afl s HIS 89 Cb 0.00 -2.53 -0.05 0.00 -0.13 0.00 0.00 32.58 29.87 3afl s HIS 89 CO 0.00 -0.03 -0.21 0.71 -2.47 0.00 0.00 174.74 172.74 3afl s TYR 90 N 1.36 2.21 -0.00 3.88 2.02 0.07 -4.35 117.35 122.55 3afl s TYR 90 Ca 0.19 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.54 3afl s TYR 90 Cb -0.15 -1.03 -0.01 0.00 -0.40 0.00 0.00 41.96 40.37 3afl s TYR 90 CO 0.08 0.57 -0.06 -1.01 -1.57 0.00 0.00 175.55 173.56 3afl s HIS 91 N -2.13 0.53 0.01 2.71 3.76 0.10 -2.25 115.29 118.02 3afl s HIS 91 Ca 0.24 -0.12 -0.06 0.00 -0.15 0.00 0.00 55.06 54.97 3afl s HIS 91 Cb -0.06 -0.34 -0.00 0.00 1.11 0.00 0.00 32.58 33.28 3afl s HIS 91 CO 0.11 -0.01 0.10 1.67 -0.85 0.00 0.00 174.74 175.76 3afl s TRP 92 N -0.21 0.11 0.16 1.40 1.48 -0.10 -1.24 118.94 120.53 3afl s TRP 92 Ca 0.02 -0.26 -0.20 0.00 -1.06 0.00 0.00 56.10 54.59 3afl s TRP 92 Cb -0.03 -0.09 0.05 0.00 -1.16 0.00 0.00 33.47 32.25 3afl s TRP 92 CO -0.00 -0.28 0.53 0.00 -4.06 0.00 0.00 176.95 173.14 3afl s TYR 94 N -3.79 1.49 0.30 0.00 1.13 -1.26 -0.40 117.35 114.82 3afl s TYR 94 Ca 0.03 -0.93 -0.13 0.00 -1.41 0.00 0.00 57.07 54.63 3afl s TYR 94 Cb -0.00 -0.86 0.01 0.00 -1.10 0.00 0.00 41.96 40.01 3afl s TYR 94 CO -0.11 -0.07 0.58 0.00 -2.51 0.00 0.00 175.55 173.45 3afl s ALA 95 N -3.46 -0.33 0.44 9.51 0.00 -0.38 -0.58 121.76 126.97 3afl s ALA 95 Ca 0.27 -0.87 -0.23 0.00 0.00 0.00 0.00 51.96 51.13 3afl s ALA 95 Cb 0.06 0.97 -0.08 0.00 0.00 0.00 0.00 23.12 24.07 3afl s ALA 95 CO 0.08 -0.90 1.13 -0.51 0.00 0.00 0.00 175.76 175.55 3afl s LEU 96 N -3.05 4.05 -0.09 0.00 1.43 -1.26 -1.49 118.68 118.27 3afl s LEU 96 Ca 0.21 2.22 0.01 0.00 -1.03 0.00 0.00 54.13 55.53 3afl s LEU 96 Cb -0.02 -4.22 0.02 0.00 0.03 0.00 0.00 46.19 41.99 3afl s LEU 96 CO 0.11 -0.77 -0.10 0.86 0.23 0.00 0.00 176.35 176.68 3afl s TRP 97 N -1.59 1.49 -0.33 0.29 -0.11 0.12 -1.64 118.94 117.18 3afl s TRP 97 Ca 0.62 -0.67 -0.22 0.00 1.22 0.00 0.00 56.10 57.05 3afl s TRP 97 Cb -0.26 -1.17 -0.00 0.00 -1.50 0.00 0.00 33.47 30.54 3afl s TRP 97 CO 0.32 -0.42 0.71 0.34 -4.62 0.00 0.00 176.95 173.29 3afl s ASP 98 N 1.25 6.55 0.09 5.86 2.15 -0.22 -4.29 116.67 128.05 3afl s ASP 98 Ca -0.03 0.44 -0.27 0.00 0.43 0.00 0.00 52.55 53.12 3afl s ASP 98 Cb -0.14 -2.37 -0.15 0.00 -0.30 0.00 0.00 42.92 39.96 3afl s ASP 98 CO -0.03 -0.59 1.68 -0.61 -0.17 0.00 0.00 175.17 175.44 3afl h GLN 99 N 8.27 -0.40 -0.03 4.34 4.15 -1.94 -1.65 115.11 127.85 3afl h GLN 99 Ca -0.25 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 3afl h GLN 99 Cb 1.10 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 3afl h GLN 99 CO 0.86 -0.27 -0.02 0.87 -1.93 0.00 0.00 178.83 178.34 3afl h LYS 100 N -0.41 0.06 0.00 1.69 1.57 -1.97 -2.98 116.57 114.53 3afl h LYS 100 Ca -0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3afl h LYS 100 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3afl h LYS 100 CO 0.03 0.53 0.00 -1.13 -0.57 0.00 0.00 179.45 178.30 3afl n SER 101 N -4.81 0.00 -3.91 0.86 3.41 -1.23 -4.90 113.62 103.04 3afl n SER 101 Ca -0.08 0.45 -0.30 0.00 -0.26 0.00 0.00 58.87 58.67 3afl n SER 101 Cb 0.27 -0.47 -0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3afl n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3afl n ALA 102 N -1.47 -2.26 -3.35 7.33 0.00 -0.64 -4.99 120.51 115.13 3afl n ALA 102 Ca 0.04 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.02 3afl n ALA 102 Cb 0.16 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.15 3afl n ALA 102 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3afl s THR 103 N -3.79 0.03 0.33 0.00 -1.32 -1.10 -5.03 115.64 104.77 3afl s THR 103 Ca 0.21 -0.23 -0.29 0.00 -1.21 0.00 0.00 61.69 60.17 3afl s THR 103 Cb -0.09 -0.90 -0.11 0.00 -1.51 0.00 0.00 72.50 69.89 3afl s THR 103 CO 0.90 -0.12 1.50 0.00 -2.21 0.00 0.00 174.62 174.68 3afl s ALA 104 N -1.79 3.63 -0.07 11.08 0.00 -1.26 -1.05 121.76 132.30 3afl s ALA 104 Ca -0.09 1.52 0.21 0.00 0.00 0.00 0.00 51.96 53.60 3afl s ALA 104 Cb -0.01 -3.60 0.43 0.00 0.00 0.00 0.00 23.12 19.93 3afl s ALA 104 CO 0.03 -0.96 1.19 -2.39 0.00 0.00 0.00 175.76 173.63 3afl n HIS 105 N 1.21 0.01 -3.65 0.00 -0.00 -0.65 -4.83 115.22 107.31 3afl n HIS 105 Ca 0.04 -0.83 -0.14 0.00 -0.00 0.00 0.00 57.72 56.79 3afl n HIS 105 Cb 0.39 -0.18 -0.07 0.00 -0.00 0.00 0.00 29.99 30.13 3afl n HIS 105 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3afl s SER 106 N -2.40 -0.34 0.28 4.39 1.04 -1.25 -1.85 113.70 113.56 3afl s SER 106 Ca 0.35 0.15 -0.26 0.00 0.48 0.00 0.00 55.95 56.67 3afl s SER 106 Cb 0.38 0.42 -0.16 0.00 0.10 0.00 0.00 66.02 66.77 3afl s SER 106 CO -0.14 -0.61 0.59 -0.46 0.98 0.00 0.00 173.24 173.60 3afl n ASN 107 N 0.74 -0.78 -4.79 7.02 6.94 -1.19 -4.57 115.26 118.63 3afl n ASN 107 Ca -0.19 1.07 -0.31 0.00 -0.02 0.00 0.00 54.58 55.13 3afl n ASN 107 Cb 0.58 -1.04 0.06 0.00 -2.36 0.00 0.00 39.78 37.02 3afl n ASN 107 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3afl s TRP 108 N -1.16 2.85 1.04 -2.53 0.52 -1.26 -4.56 118.94 113.85 3afl s TRP 108 Ca 0.62 1.50 -0.18 0.00 0.02 0.00 0.00 56.10 58.06 3afl s TRP 108 Cb -0.80 -2.99 0.26 0.00 -1.15 0.00 0.00 33.47 28.79 3afl s TRP 108 CO 0.58 -1.46 0.98 -1.13 0.02 0.00 0.00 176.95 175.93 3afl n SER 109 N -3.02 -1.71 -4.77 2.95 3.41 0.25 -4.96 113.62 105.77 3afl n SER 109 Ca 0.09 -1.12 -0.41 0.00 -0.26 0.00 0.00 58.87 57.17 3afl n SER 109 Cb 0.53 -0.88 -0.01 0.00 -0.26 0.00 0.00 64.21 63.60 3afl n SER 109 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3afl s THR 110 N -2.82 2.44 -0.12 6.66 2.01 -1.26 -4.80 115.64 117.75 3afl s THR 110 Ca 0.62 0.43 -0.29 0.00 0.31 0.00 0.00 61.69 62.76 3afl s THR 110 Cb -0.06 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 3afl s THR 110 CO 0.47 0.09 1.01 -0.69 -0.69 0.00 0.00 174.62 174.81 3afl s VAL 111 N -1.16 4.78 0.11 3.82 1.01 -1.26 -4.66 120.40 123.04 3afl s VAL 111 Ca 0.52 2.04 0.09 0.00 0.00 0.00 0.00 61.98 64.63 3afl s VAL 111 Cb -0.42 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 3afl s VAL 111 CO 0.56 -0.01 -0.18 -0.13 0.00 0.00 0.00 175.10 175.34 3afl s ARG 112 N 2.12 1.78 0.14 2.72 0.52 -0.68 -4.96 118.95 120.60 3afl s ARG 112 Ca 0.48 -1.18 0.10 0.00 -0.52 0.00 0.00 55.73 54.61 3afl s ARG 112 Cb -0.18 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 3afl s ARG 112 CO 0.17 0.48 -0.19 -1.12 0.02 0.00 0.00 175.30 174.66 3afl s SER 113 N -2.11 3.77 0.13 0.23 0.01 -1.26 -0.92 113.70 113.54 3afl s SER 113 Ca 0.18 -0.65 -0.17 0.00 1.31 0.00 0.00 55.95 56.62 3afl s SER 113 Cb -0.11 -0.46 0.04 0.00 0.21 0.00 0.00 66.02 65.70 3afl s SER 113 CO 0.10 0.16 0.43 0.72 0.41 0.00 0.00 173.24 175.05 3afl s PHE 114 N -1.32 -0.25 -0.07 2.43 -0.12 -0.96 -1.82 117.98 115.88 3afl s PHE 114 Ca 0.19 -0.05 0.05 0.00 -0.05 0.00 0.00 56.93 57.07 3afl s PHE 114 Cb -0.10 0.30 -0.01 0.00 -0.63 0.00 0.00 43.02 42.59 3afl s PHE 114 CO 0.10 -0.72 -0.25 -2.00 -0.05 0.00 0.00 175.22 172.30 3afl s GLU 115 N -3.80 2.71 -0.13 1.99 2.12 -1.26 -0.75 118.70 119.59 3afl s GLU 115 Ca 0.03 -0.89 -0.04 0.00 0.36 0.00 0.00 54.97 54.43 3afl s GLU 115 Cb 0.01 -2.20 -0.03 0.00 0.26 0.00 0.00 34.13 32.17 3afl s GLU 115 CO -0.12 0.31 0.01 0.42 -0.54 0.00 0.00 175.26 175.34 3afl s ILE 116 N 0.01 4.31 0.25 -3.70 -1.09 -0.64 -4.65 121.20 115.69 3afl s ILE 116 Ca -0.09 -0.23 0.05 0.00 -2.23 0.00 0.00 60.65 58.15 3afl s ILE 116 Cb -0.15 -2.87 -0.05 0.00 -1.58 0.00 0.00 42.46 37.81 3afl s ILE 116 CO 0.05 0.54 -0.03 -0.94 -1.23 0.00 0.00 174.94 173.34 3afl s SER 117 N -0.25 2.18 0.45 3.58 1.04 -1.26 -2.13 113.70 117.31 3afl s SER 117 Ca 0.06 -1.20 0.21 0.00 0.48 0.00 0.00 55.95 55.50 3afl s SER 117 Cb -0.12 -0.06 1.06 0.00 0.10 0.00 0.00 66.02 67.00 3afl s SER 117 CO 0.02 -0.44 1.92 -0.33 0.98 0.00 0.00 173.24 175.39 3afl h GLU 118 N 2.41 0.00 0.00 4.02 4.39 -1.99 -2.75 114.58 120.65 3afl h GLU 118 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 3afl h GLU 118 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3afl h GLU 118 CO 0.66 0.24 0.00 0.00 -1.16 0.00 0.00 179.01 178.74 3afl h ALA 119 N 1.76 1.00 -2.29 3.43 0.00 -2.03 -3.43 119.26 117.70 3afl h ALA 119 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 3afl h ALA 119 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3afl h ALA 119 CO 0.03 0.00 0.53 -0.51 0.00 0.00 0.00 179.25 179.30 3afl s LEU 120 N -5.96 4.25 0.32 0.00 1.43 -1.04 -5.00 118.68 112.68 3afl s LEU 120 Ca -0.01 1.50 -0.27 0.00 -1.03 0.00 0.00 54.13 54.33 3afl s LEU 120 Cb 0.10 -3.52 -0.14 0.00 0.03 0.00 0.00 46.19 42.66 3afl s LEU 120 CO 0.47 -0.43 0.85 -2.65 0.23 0.00 0.00 176.35 174.81 3afl n PRO 121 N 4.95 1.00 -3.26 1.29 -0.02 -1.26 -4.51 135.00 133.18 3afl n PRO 121 Ca 0.08 0.35 -0.46 0.00 -2.02 0.00 0.00 63.50 61.45 3afl n PRO 121 Cb 0.49 -1.67 -0.05 0.00 -0.02 0.00 0.00 33.50 32.25 3afl n PRO 121 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3afl s LYS 122 N -1.53 3.08 -0.51 -0.52 1.02 -1.26 -0.49 119.74 119.53 3afl s LYS 122 Ca 0.61 -1.71 0.07 0.00 0.02 0.00 0.00 55.97 54.96 3afl s LYS 122 Cb -0.70 -4.32 0.29 0.00 -0.52 0.00 0.00 37.83 32.58 3afl s LYS 122 CO 0.59 -1.38 0.74 0.25 -0.92 0.00 0.00 175.35 174.63 3afl n THR 123 N 5.18 1.32 -1.26 2.17 -2.24 0.12 -4.97 114.28 114.60 3afl n THR 123 Ca -0.09 -4.90 -0.31 0.00 -2.27 0.00 0.00 64.05 56.47 3afl n THR 123 Cb 0.41 -1.55 0.09 0.00 -2.10 0.00 0.00 70.33 67.19 3afl n THR 123 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3afl s PRO 124 N -2.40 2.19 -0.30 -0.78 0.02 -1.25 -4.55 135.00 127.92 3afl s PRO 124 Ca 0.41 1.24 -0.04 0.00 0.02 0.00 0.00 61.00 62.64 3afl s PRO 124 Cb 0.22 -1.88 0.04 0.00 0.02 0.00 0.00 34.50 32.90 3afl s PRO 124 CO -0.08 -1.70 0.03 -1.17 -0.33 0.00 0.00 177.00 173.75 3afl s LEU 125 N -5.86 3.90 0.15 -5.54 2.96 -0.87 -4.99 118.68 108.44 3afl s LEU 125 Ca 0.63 -1.10 -0.34 0.00 -0.22 0.00 0.00 54.13 53.10 3afl s LEU 125 Cb -0.18 -1.77 -0.15 0.00 0.50 0.00 0.00 46.19 44.58 3afl s LEU 125 CO 0.54 -0.25 1.36 -2.65 -1.32 0.00 0.00 176.35 174.03 3afl n PRO 126 N 4.72 1.51 -0.88 0.98 -0.02 -1.26 -3.35 135.00 136.69 3afl n PRO 126 Ca -0.14 0.54 -0.28 0.00 -2.02 0.00 0.00 63.50 61.60 3afl n PRO 126 Cb 0.45 -2.17 0.22 0.00 -0.02 0.00 0.00 33.50 31.97 3afl n PRO 126 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3afl s GLY 127 N 0.42 1.55 0.20 -1.23 0.00 -1.26 -4.57 107.32 102.43 3afl s GLY 127 Ca 0.78 -0.29 -0.11 0.00 0.00 0.00 0.00 44.72 45.09 3afl s GLY 127 CO 0.47 0.38 1.79 3.21 0.00 0.00 0.00 173.10 178.95 3afl h ARG 128 N -2.27 0.53 0.11 2.90 3.08 -1.98 0.17 114.38 116.92 3afl h ARG 128 Ca -0.59 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.45 3afl h ARG 128 Cb 1.34 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 31.22 3afl h ARG 128 CO 0.55 0.35 -0.47 0.77 -1.07 0.00 0.00 179.97 180.10 3afl h SER 129 N 0.55 -1.40 -0.00 7.04 0.02 -1.99 0.31 113.55 118.09 3afl h SER 129 Ca 0.27 0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.40 3afl h SER 129 Cb 0.20 0.52 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 3afl h SER 129 CO -0.19 -0.52 -0.41 0.00 -1.14 0.00 0.00 176.83 174.57 3afl h ALA 130 N -0.32 -0.65 -0.32 3.77 0.00 -1.80 -0.86 119.26 119.08 3afl h ALA 130 Ca 0.01 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3afl h ALA 130 Cb 0.72 0.73 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 3afl h ALA 130 CO -0.27 -0.94 0.03 0.00 0.00 0.00 0.00 179.25 178.07 3afl h ARG 131 N -0.57 0.13 -0.54 0.00 3.08 -0.36 -1.27 114.38 114.86 3afl h ARG 131 Ca 0.05 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3afl h ARG 131 Cb 0.64 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 3afl h ARG 131 CO -0.31 0.09 0.24 0.45 -1.07 0.00 0.00 179.97 179.36 3afl h HIS 132 N 0.13 0.77 0.00 3.04 3.86 -0.19 -2.98 115.15 119.78 3afl h HIS 132 Ca 0.15 -0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.16 3afl h HIS 132 Cb 0.19 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 3afl h HIS 132 CO -0.20 0.59 -0.80 0.00 0.86 0.00 0.00 177.93 178.37 3afl h ALA 133 N 1.49 0.67 -0.00 2.45 0.00 -0.32 -3.07 119.26 120.48 3afl h ALA 133 Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3afl h ALA 133 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3afl h ALA 133 CO -0.02 1.00 -0.04 0.00 0.00 0.00 0.00 179.25 180.19 3afl n ALA 134 N -2.39 2.57 -2.71 0.00 0.00 -0.56 -4.84 120.51 112.58 3afl n ALA 134 Ca -0.01 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 3afl n ALA 134 Cb 0.77 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 3afl n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3afl s ALA 135 N -2.61 3.19 0.62 0.00 0.00 -1.16 -4.63 121.76 117.17 3afl s ALA 135 Ca 0.26 0.47 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 3afl s ALA 135 Cb 0.20 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 3afl s ALA 135 CO 0.48 -0.21 1.10 -1.14 0.00 0.00 0.00 175.76 175.99 3afl s GLN 136 N 0.96 3.06 -0.00 0.00 0.74 -1.26 -4.99 119.66 118.18 3afl s GLN 136 Ca 0.49 1.37 0.05 0.00 0.05 0.00 0.00 55.36 57.33 3afl s GLN 136 Cb -0.20 -1.99 -0.07 0.00 1.10 0.00 0.00 33.01 31.84 3afl s GLN 136 CO 0.26 -1.04 0.15 2.41 -0.55 0.00 0.00 175.29 176.52 3afl n THR 137 N -2.10 0.00 -3.66 -0.34 -1.04 -1.26 -4.99 114.28 100.89 3afl n THR 137 Ca 0.10 -0.21 -0.34 0.00 -2.04 0.00 0.00 64.05 61.57 3afl n THR 137 Cb 0.52 0.58 -0.05 0.00 -1.82 0.00 0.00 70.33 69.56 3afl n THR 137 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3afl s SER 138 N -2.25 6.55 0.03 8.00 1.04 -1.26 -5.07 113.70 120.74 3afl s SER 138 Ca -0.01 0.66 -0.15 0.00 0.48 0.00 0.00 55.95 56.94 3afl s SER 138 Cb 0.04 -2.13 -0.06 0.00 0.10 0.00 0.00 66.02 63.97 3afl s SER 138 CO 0.22 0.15 0.43 -1.00 0.98 0.00 0.00 173.24 174.03 3afl s HIS 139 N -1.46 3.71 0.56 5.02 0.09 -1.26 -4.39 115.29 117.57 3afl s HIS 139 Ca 0.34 1.00 -0.10 0.00 -0.00 0.00 0.00 55.06 56.31 3afl s HIS 139 Cb -0.13 -2.30 -0.04 0.00 -0.00 0.00 0.00 32.58 30.11 3afl s HIS 139 CO 0.20 0.61 0.95 -1.25 -0.00 0.00 0.00 174.74 175.25 3afl s PRO 140 N -1.24 3.63 0.00 8.40 0.04 -1.25 -4.81 135.00 139.77 3afl s PRO 140 Ca 0.26 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.91 3afl s PRO 140 Cb -0.17 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3afl s PRO 140 CO 0.15 -0.42 0.00 0.54 0.04 0.00 0.00 177.00 177.31 3afl n ARG 141 N -2.42 1.31 -2.53 4.56 1.74 -1.22 -3.71 116.66 114.39 3afl n ARG 141 Ca 0.04 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.70 3afl n ARG 141 Cb 0.54 -0.78 -0.02 0.00 -1.02 0.00 0.00 32.46 31.18 3afl n ARG 141 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3afl s LEU 142 N -3.30 4.23 0.00 0.55 1.43 -1.26 -4.37 118.68 115.96 3afl s LEU 142 Ca 0.00 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3afl s LEU 142 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3afl s LEU 142 CO 0.00 -0.61 0.00 1.87 0.23 0.00 0.00 176.35 177.84 3afl n TRP 143 N 5.62 0.00 -4.09 0.29 -0.00 -1.26 -4.75 117.44 113.25 3afl n TRP 143 Ca 0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 57.31 3afl n TRP 143 Cb 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.70 3afl n TRP 143 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3afl s LEU 144 N 0.00 3.71 0.00 5.87 1.43 -1.26 -4.87 118.68 123.56 3afl s LEU 144 Ca 0.00 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 3afl s LEU 144 Cb 0.00 -2.37 0.04 0.00 0.03 0.00 0.00 46.19 43.89 3afl s LEU 144 CO 0.00 0.19 0.32 -0.46 0.23 0.00 0.00 176.35 176.63 3afl n ASN 145 N 0.61 1.09 -0.16 2.29 0.23 -1.26 -3.41 115.26 114.64 3afl n ASN 145 Ca -0.10 -1.70 -0.08 0.00 -0.53 0.00 0.00 54.58 52.17 3afl n ASN 145 Cb 0.52 -0.15 0.01 0.00 -2.08 0.00 0.00 39.78 38.08 3afl n ASN 145 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 3afl h SER 146 N 0.09 0.59 0.00 0.53 0.87 -1.87 0.49 113.55 114.25 3afl h SER 146 Ca -0.12 -0.08 -0.23 0.00 -1.23 0.00 0.00 61.79 60.13 3afl h SER 146 Cb 0.55 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3afl h SER 146 CO 0.18 0.50 -0.84 1.05 -0.53 0.00 0.00 176.83 177.20 3afl h GLU 147 N 0.64 0.67 -0.38 2.24 9.09 -1.96 -2.43 114.58 122.44 3afl h GLU 147 Ca 0.17 -0.60 -0.01 0.00 0.05 0.00 0.00 59.36 58.98 3afl h GLU 147 Cb 0.03 0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 27.25 3afl h GLU 147 CO -0.03 1.21 0.20 1.96 0.05 0.00 0.00 179.01 182.40 3afl h GLN 148 N 0.44 0.52 0.02 1.06 4.20 -1.89 0.70 115.11 120.15 3afl h GLN 148 Ca -0.07 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3afl h GLN 148 Cb 1.46 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.14 3afl h GLN 148 CO 0.16 0.39 -0.01 1.25 -0.67 0.00 0.00 178.83 179.95 3afl h LEU 149 N 0.52 -0.02 -0.67 1.46 5.85 -0.84 -1.39 115.31 120.22 3afl h LEU 149 Ca 0.14 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3afl h LEU 149 Cb 0.02 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3afl h LEU 149 CO -0.02 0.43 0.41 -1.28 -0.34 0.00 0.00 178.44 177.64 3afl h SER 150 N -0.48 0.67 -0.28 1.25 0.87 -1.15 0.37 113.55 114.81 3afl h SER 150 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3afl h SER 150 Cb 0.46 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3afl h SER 150 CO 0.00 0.46 0.14 0.00 -0.53 0.00 0.00 176.83 176.90 3afl h ALA 151 N 1.30 0.36 -0.38 6.23 0.00 -0.89 -2.12 119.26 123.75 3afl h ALA 151 Ca 0.27 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3afl h ALA 151 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3afl h ALA 151 CO -0.11 -0.08 -0.26 0.35 0.00 0.00 0.00 179.25 179.15 3afl h PHE 152 N 0.32 0.91 -0.38 0.00 3.57 -0.79 -2.48 116.94 118.09 3afl h PHE 152 Ca 0.10 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 3afl h PHE 152 Cb 0.11 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3afl h PHE 152 CO -0.02 0.96 0.15 0.00 -2.23 0.00 0.00 178.31 177.18 3afl h ALA 153 N 1.02 0.50 -0.98 2.41 0.00 -0.14 -1.23 119.26 120.84 3afl h ALA 153 Ca 0.09 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.98 3afl h ALA 153 Cb 0.78 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 3afl h ALA 153 CO 0.06 0.10 0.61 -0.44 0.00 0.00 0.00 179.25 179.58 3afl h ASP 154 N 0.47 0.88 -0.22 0.00 3.32 -1.30 -1.93 116.42 117.65 3afl h ASP 154 Ca 0.13 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 3afl h ASP 154 Cb 0.18 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3afl h ASP 154 CO -0.01 0.46 -0.17 0.00 -1.72 0.00 0.00 179.24 177.80 3afl h ALA 155 N 1.54 1.05 -0.09 3.45 0.00 -0.87 -2.82 119.26 121.52 3afl h ALA 155 Ca 0.49 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 3afl h ALA 155 Cb 0.50 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3afl h ALA 155 CO -0.27 0.57 -0.73 0.28 0.00 0.00 0.00 179.25 179.10 3afl h VAL 156 N 0.58 1.36 -0.28 0.00 2.07 -0.72 -1.66 116.25 117.60 3afl h VAL 156 Ca 0.09 -2.10 -0.01 0.00 0.82 0.00 0.00 66.70 65.51 3afl h VAL 156 Cb 0.61 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3afl h VAL 156 CO 0.04 0.64 0.14 0.00 0.02 0.00 0.00 177.57 178.41 3afl h ALA 157 N 0.89 1.72 0.13 1.67 0.00 -1.26 -2.91 119.26 119.50 3afl h ALA 157 Ca -0.03 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 3afl h ALA 157 Cb 1.31 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 19.00 3afl h ALA 157 CO 0.13 0.24 -0.81 0.87 0.00 0.00 0.00 179.25 179.68 3afl h LYS 158 N 0.39 0.27 -3.47 0.00 1.57 -1.25 -3.44 116.57 110.65 3afl h LYS 158 Ca 0.10 -0.47 -0.53 0.00 -1.87 0.00 0.00 60.65 57.88 3afl h LYS 158 Cb 0.04 0.17 -0.40 0.00 0.08 0.00 0.00 32.23 32.12 3afl h LYS 158 CO -0.02 1.22 -0.76 0.34 -0.57 0.00 0.00 179.45 179.66 3afl s ASP 159 N -6.93 3.25 0.27 0.86 2.15 -0.65 -5.01 116.67 110.61 3afl s ASP 159 Ca -0.15 -1.07 0.19 0.00 0.43 0.00 0.00 52.55 51.95 3afl s ASP 159 Cb 0.01 -0.64 0.99 0.00 -0.30 0.00 0.00 42.92 42.98 3afl s ASP 159 CO 0.82 -0.35 1.57 -0.81 -0.17 0.00 0.00 175.17 176.23 3afl n PRO 160 N 5.02 0.12 -0.59 4.34 -0.04 -1.10 -0.95 135.00 141.80 3afl n PRO 160 Ca -0.07 0.60 0.09 0.00 -0.04 0.00 0.00 63.50 64.08 3afl n PRO 160 Cb 0.45 -1.88 0.34 0.00 -0.04 0.00 0.00 33.50 32.37 3afl n PRO 160 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3afl n ASN 161 N -2.14 4.63 -4.69 3.54 5.03 -1.26 -1.78 115.26 118.60 3afl n ASN 161 Ca -0.01 -2.50 -0.44 0.00 0.87 0.00 0.00 54.58 52.50 3afl n ASN 161 Cb 0.04 -0.56 -0.04 0.00 -1.02 0.00 0.00 39.78 38.21 3afl n ASN 161 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 3afl n HIS 162 N 0.91 2.51 -0.96 3.10 -0.00 -0.12 -1.39 115.22 119.27 3afl n HIS 162 Ca 0.25 0.10 -0.06 0.00 0.46 0.00 0.00 57.72 58.47 3afl n HIS 162 Cb 0.88 -2.63 -0.02 0.00 -0.12 0.00 0.00 29.99 28.10 3afl n HIS 162 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3afl n GLY 164 N 0.26 0.70 0.41 0.00 0.00 -0.49 -4.54 105.19 101.55 3afl n GLY 164 Ca -0.06 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 3afl n GLY 164 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3afl h TRP 165 N 0.00 -1.09 -0.02 1.61 2.91 -0.86 -2.37 115.95 116.13 3afl h TRP 165 Ca 0.00 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.04 3afl h TRP 165 Cb 0.81 0.43 -0.00 0.00 -0.51 0.00 0.00 29.16 29.89 3afl h TRP 165 CO 0.00 -0.55 0.02 0.00 -1.03 0.00 0.00 178.44 176.88 3afl h ALA 166 N -0.42 1.83 -0.24 2.65 0.00 -1.63 0.38 119.26 121.82 3afl h ALA 166 Ca -0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3afl h ALA 166 Cb 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3afl h ALA 166 CO -0.07 -0.03 -0.23 1.49 0.00 0.00 0.00 179.25 180.40 3afl h GLU 167 N 0.00 0.59 0.14 0.00 4.22 -1.82 0.22 114.58 117.93 3afl h GLU 167 Ca 0.01 -0.31 0.00 0.00 0.08 0.00 0.00 59.36 59.14 3afl h GLU 167 Cb 0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3afl h GLU 167 CO -0.00 0.90 -0.12 0.35 -2.18 0.00 0.00 179.01 177.96 3afl h PHE 168 N 0.30 -0.30 -0.25 0.92 3.57 -0.51 -2.83 116.94 117.83 3afl h PHE 168 Ca 0.04 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3afl h PHE 168 Cb 0.79 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.60 3afl h PHE 168 CO 0.08 -0.18 -0.04 -0.92 -2.23 0.00 0.00 178.31 175.01 3afl h TYR 169 N -0.27 -0.09 -0.93 0.41 5.03 -0.25 0.43 116.97 121.30 3afl h TYR 169 Ca -0.00 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.36 3afl h TYR 169 Cb 0.25 0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.56 3afl h TYR 169 CO -0.11 -0.09 0.61 1.49 -1.32 0.00 0.00 178.16 178.74 3afl h GLU 170 N 0.03 1.15 0.00 1.82 4.81 -0.51 -1.47 114.58 120.41 3afl h GLU 170 Ca 0.12 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 3afl h GLU 170 Cb 0.18 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3afl h GLU 170 CO -0.24 0.76 -1.45 0.36 -0.73 0.00 0.00 179.01 177.70 3afl n LYS 171 N -4.43 1.29 0.00 1.92 2.85 -1.08 -4.39 118.16 114.32 3afl n LYS 171 Ca 0.12 -0.05 0.07 0.00 -1.05 0.00 0.00 58.31 57.41 3afl n LYS 171 Cb 0.09 -1.20 -0.02 0.00 -0.65 0.00 0.00 35.03 33.24 3afl n LYS 171 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3afl n SER 172 N -2.00 1.31 0.01 -5.58 7.64 0.15 -4.63 113.62 110.52 3afl n SER 172 Ca -0.06 -1.16 -0.01 0.00 1.01 0.00 0.00 58.87 58.65 3afl n SER 172 Cb 0.45 0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 64.26 3afl n SER 172 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3afl n VAL 173 N -0.48 0.43 0.04 0.44 0.31 -1.05 -4.76 118.33 113.25 3afl n VAL 173 Ca 0.05 0.11 -0.11 0.00 -0.01 0.00 0.00 64.34 64.38 3afl n VAL 173 Cb 0.29 -1.55 -0.06 0.00 -0.91 0.00 0.00 33.84 31.62 3afl n VAL 173 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3afl h GLU 174 N -0.04 -0.07 0.00 5.55 4.81 -1.48 -2.78 114.58 120.58 3afl h GLU 174 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3afl h GLU 174 Cb 0.72 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3afl h GLU 174 CO -0.01 -0.04 0.07 -2.30 -0.73 0.00 0.00 179.01 176.00 3afl n PRO 175 N -5.16 0.00 0.11 0.92 -0.02 -1.26 -0.69 135.00 128.90 3afl n PRO 175 Ca -0.06 0.35 0.06 0.00 -2.02 0.00 0.00 63.50 61.84 3afl n PRO 175 Cb 0.09 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3afl n PRO 175 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 3afl h TRP 176 N 0.00 0.00 -0.50 6.00 4.06 -1.84 -3.32 115.95 120.35 3afl h TRP 176 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3afl h TRP 176 Cb 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 3afl h TRP 176 CO 0.00 0.27 0.19 -0.07 -3.56 0.00 0.00 178.44 175.27 3afl h LEU 177 N 0.00 0.69 -1.48 -4.49 3.38 -1.05 -3.08 115.31 109.28 3afl h LEU 177 Ca -0.05 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3afl h LEU 177 Cb 1.25 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3afl h LEU 177 CO 0.03 0.68 0.00 -1.84 0.09 0.00 0.00 178.44 177.40 3afl n GLU 178 N -4.54 1.93 -4.21 1.13 -0.00 -1.25 -4.92 120.64 108.78 3afl n GLU 178 Ca 0.02 -1.45 -0.34 0.00 -0.00 0.00 0.00 57.16 55.39 3afl n GLU 178 Cb 0.16 -1.32 -0.11 0.00 -0.00 0.00 0.00 31.44 30.17 3afl n GLU 178 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 3afl s ARG 179 N -1.47 3.77 0.35 3.44 3.52 -1.17 -5.09 118.95 122.31 3afl s ARG 179 Ca 0.27 -0.46 -0.28 0.00 -0.13 0.00 0.00 55.73 55.13 3afl s ARG 179 Cb 0.14 -3.05 -0.12 0.00 -1.56 0.00 0.00 34.95 30.37 3afl s ARG 179 CO 0.19 0.21 1.42 -2.30 -0.81 0.00 0.00 175.30 174.01 3afl n PRO 180 N 3.66 2.46 -1.69 5.12 -0.02 -1.26 -4.91 135.00 138.36 3afl n PRO 180 Ca -0.17 0.87 -0.44 0.00 -2.02 0.00 0.00 63.50 61.73 3afl n PRO 180 Cb 0.52 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 3afl n PRO 180 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3afl n VAL 181 N 0.57 0.61 -1.56 -1.45 0.31 -1.26 -4.85 118.33 110.71 3afl n VAL 181 Ca 0.03 -0.15 -0.48 0.00 -0.01 0.00 0.00 64.34 63.73 3afl n VAL 181 Cb 0.37 -1.67 -0.05 0.00 -0.91 0.00 0.00 33.84 31.59 3afl n VAL 181 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3afl n MET 182 N 2.65 1.62 -1.68 5.55 1.56 -1.26 -4.94 117.12 120.62 3afl n MET 182 Ca 0.13 0.50 -0.41 0.00 -0.27 0.00 0.00 57.70 57.64 3afl n MET 182 Cb 0.32 -2.73 0.01 0.00 2.15 0.00 0.00 33.22 32.97 3afl n MET 182 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 3afl n PRO 183 N 7.91 1.82 -1.69 2.12 -0.04 -1.26 -4.89 135.00 138.98 3afl n PRO 183 Ca 0.33 0.65 -0.44 0.00 -0.04 0.00 0.00 63.50 64.00 3afl n PRO 183 Cb 0.31 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.46 3afl n PRO 183 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3afl n GLU 184 N 0.19 2.60 -1.71 0.54 2.13 -1.26 -4.93 120.64 118.20 3afl n GLU 184 Ca 0.07 0.95 -0.40 0.00 0.66 0.00 0.00 57.16 58.43 3afl n GLU 184 Cb 0.38 -2.81 0.02 0.00 0.27 0.00 0.00 31.44 29.30 3afl n GLU 184 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3afl n PRO 185 N 5.30 1.90 -3.15 5.31 -0.02 -1.26 -5.01 135.00 138.06 3afl n PRO 185 Ca 0.18 0.68 -0.29 0.00 -2.02 0.00 0.00 63.50 62.06 3afl n PRO 185 Cb 0.35 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3afl n PRO 185 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3afl s GLN 186 N -2.38 3.65 0.65 -0.52 -1.52 -1.26 -4.69 119.66 113.59 3afl s GLN 186 Ca 0.63 0.12 -0.16 0.00 -1.95 0.00 0.00 55.36 54.00 3afl s GLN 186 Cb -0.48 -2.56 -0.00 0.00 -0.22 0.00 0.00 33.01 29.75 3afl s GLN 186 CO 0.56 0.11 1.17 -1.25 -0.25 0.00 0.00 175.29 175.63 3afl s PRO 187 N -3.78 2.68 0.25 2.91 0.04 -1.26 -4.94 135.00 130.90 3afl s PRO 187 Ca 0.46 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 3afl s PRO 187 Cb -0.10 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3afl s PRO 187 CO 0.32 -1.39 1.42 0.71 0.04 0.00 0.00 177.00 178.10 3afl s TYR 188 N -1.97 3.03 -0.47 0.56 1.51 -1.26 -4.89 117.35 113.86 3afl s TYR 188 Ca 0.73 1.07 -0.42 0.00 -1.01 0.00 0.00 57.07 57.44 3afl s TYR 188 Cb -0.26 -3.80 -0.18 0.00 -0.11 0.00 0.00 41.96 37.61 3afl s TYR 188 CO 0.39 -2.55 1.87 -2.30 -1.11 0.00 0.00 175.55 171.85 3afl n PRO 189 N 2.22 0.00 -0.96 -1.71 -0.02 -1.26 -0.34 135.00 132.93 3afl n PRO 189 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3afl n PRO 189 Cb 0.41 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 3afl n PRO 189 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3afl n ASN 190 N 6.15 -1.75 -2.19 2.55 3.02 -1.26 -3.40 115.26 118.38 3afl n ASN 190 Ca 0.46 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.80 3afl n ASN 190 Cb -0.04 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 38.42 3afl n ASN 190 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3afl n ASN 191 N -0.08 -5.84 -4.48 6.41 3.02 0.54 -4.98 115.26 109.85 3afl n ASN 191 Ca 0.00 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 3afl n ASN 191 Cb 0.04 -4.93 -0.10 0.00 -0.61 0.00 0.00 39.78 34.18 3afl n ASN 191 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3afl s THR 192 N -2.98 5.20 -0.06 3.41 2.01 -1.22 -4.99 115.64 117.02 3afl s THR 192 Ca 0.00 -0.45 -0.36 0.00 0.31 0.00 0.00 61.69 61.19 3afl s THR 192 Cb 0.00 -3.93 -0.14 0.00 0.01 0.00 0.00 72.50 68.44 3afl s THR 192 CO 0.00 -0.29 1.70 -1.14 -0.69 0.00 0.00 174.62 174.20 3afl n ARG 193 N 5.31 1.74 -4.87 4.92 0.63 -1.26 -4.81 116.66 118.32 3afl n ARG 193 Ca -0.10 0.64 -0.29 0.00 -0.92 0.00 0.00 57.85 57.18 3afl n ARG 193 Cb 0.48 -2.39 -0.17 0.00 0.45 0.00 0.00 32.46 30.83 3afl n ARG 193 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3afl s VAL 194 N 2.70 1.69 0.26 5.15 1.01 -1.26 -5.05 120.40 124.91 3afl s VAL 194 Ca 0.90 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 3afl s VAL 194 Cb -0.83 -1.49 0.40 0.00 0.00 0.00 0.00 36.38 34.46 3afl s VAL 194 CO 0.52 0.48 1.54 0.00 0.00 0.00 0.00 175.10 177.63 3afl n ALA 195 N 3.75 0.15 0.06 5.51 0.00 -1.26 -0.74 120.51 127.97 3afl n ALA 195 Ca -0.20 1.06 -0.12 0.00 0.00 0.00 0.00 53.44 54.18 3afl n ALA 195 Cb 0.52 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 3afl n ALA 195 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3afl h THR 196 N 0.00 0.77 -0.02 0.00 2.02 -1.99 -0.99 112.91 112.70 3afl h THR 196 Ca 0.44 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.43 3afl h THR 196 Cb 0.69 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3afl h THR 196 CO -1.01 0.00 -0.82 -0.07 0.37 0.00 0.00 175.52 173.99 3afl h LEU 197 N -0.17 0.32 -0.23 2.58 4.07 -1.69 -2.21 115.31 117.98 3afl h LEU 197 Ca 0.03 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 3afl h LEU 197 Cb 0.20 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 3afl h LEU 197 CO -0.07 1.01 0.02 -0.25 -1.08 0.00 0.00 178.44 178.07 3afl h TRP 198 N 0.16 0.42 -0.07 1.13 7.01 -0.83 -1.33 115.95 122.45 3afl h TRP 198 Ca -0.04 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 3afl h TRP 198 Cb 1.42 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 28.37 3afl h TRP 198 CO 0.03 0.54 0.03 -0.09 -2.79 0.00 0.00 178.44 176.16 3afl h ARG 199 N 0.18 0.10 -0.50 2.65 2.43 -1.18 -2.67 114.38 115.40 3afl h ARG 199 Ca 0.07 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3afl h ARG 199 Cb 0.36 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3afl h ARG 199 CO 0.01 0.24 0.32 0.37 -1.51 0.00 0.00 179.97 179.39 3afl h GLN 200 N -0.06 0.62 -0.29 0.20 5.75 -1.42 -1.36 115.11 118.56 3afl h GLN 200 Ca 0.02 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3afl h GLN 200 Cb 0.17 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3afl h GLN 200 CO -0.00 0.41 0.14 1.98 -2.65 0.00 0.00 178.83 178.71 3afl h MET 201 N 0.64 0.29 -0.16 1.69 4.05 -1.20 0.22 114.93 120.46 3afl h MET 201 Ca 0.19 -0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.49 3afl h MET 201 Cb -0.03 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 3afl h MET 201 CO -0.07 0.19 -0.36 0.10 0.23 0.00 0.00 176.91 177.00 3afl h TYR 202 N 0.29 0.39 -0.12 1.39 -0.00 -1.23 -2.45 116.97 115.24 3afl h TYR 202 Ca 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 58.73 58.75 3afl h TYR 202 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 36.73 36.68 3afl h TYR 202 CO -0.10 0.66 0.07 0.82 -0.00 0.00 0.00 178.16 179.61 3afl h ILE 203 N 0.29 1.09 -0.73 -0.90 2.04 -0.72 -0.36 117.51 118.21 3afl h ILE 203 Ca 0.03 -0.23 0.16 0.00 1.00 0.00 0.00 64.86 65.82 3afl h ILE 203 Cb 0.78 1.02 -0.13 0.00 -0.74 0.00 0.00 36.82 37.75 3afl h ILE 203 CO 0.06 0.08 -0.05 0.44 0.00 0.00 0.00 178.15 178.68 3afl h ASP 204 N 0.11 -0.44 0.46 1.72 3.32 -0.28 -0.73 116.42 120.58 3afl h ASP 204 Ca 0.04 0.20 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 3afl h ASP 204 Cb 0.06 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3afl h ASP 204 CO -0.01 -0.19 -0.55 0.00 -1.72 0.00 0.00 179.24 176.77 3afl h GLN 206 N 0.07 0.85 -0.50 0.00 5.75 0.32 -2.43 115.11 119.18 3afl h GLN 206 Ca -0.00 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 3afl h GLN 206 Cb 0.99 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.39 3afl h GLN 206 CO 0.08 0.77 0.28 0.93 -2.65 0.00 0.00 178.83 178.23 3afl h GLU 207 N 0.77 0.68 -0.38 1.69 5.08 -1.02 -1.26 114.58 120.13 3afl h GLU 207 Ca 0.18 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3afl h GLU 207 Cb 0.26 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3afl h GLU 207 CO -0.01 0.49 -0.12 0.28 -1.00 0.00 0.00 179.01 178.66 3afl h VAL 208 N 0.69 1.25 0.03 3.13 2.07 -1.35 0.21 116.25 122.28 3afl h VAL 208 Ca 0.18 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.58 3afl h VAL 208 Cb 0.00 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3afl h VAL 208 CO -0.03 0.38 -0.07 0.40 0.02 0.00 0.00 177.57 178.27 3afl h ILE 209 N 0.62 0.83 0.26 4.57 2.04 -0.78 -1.99 117.51 123.06 3afl h ILE 209 Ca 0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 3afl h ILE 209 Cb 0.56 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3afl h ILE 209 CO 0.03 0.00 -0.32 1.88 0.00 0.00 0.00 178.15 179.75 3afl h TYR 210 N -0.14 -0.85 0.23 1.37 0.05 -0.73 0.20 116.97 117.11 3afl h TYR 210 Ca 0.02 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 3afl h TYR 210 Cb 0.16 0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.22 3afl h TYR 210 CO -0.12 -0.44 -0.33 0.00 -1.05 0.00 0.00 178.16 176.22 3afl h ALA 211 N -0.06 -0.95 -0.09 3.88 0.00 -0.62 0.64 119.26 122.06 3afl h ALA 211 Ca -0.00 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3afl h ALA 211 Cb 0.59 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 3afl h ALA 211 CO -0.10 -0.99 -0.32 0.82 0.00 0.00 0.00 179.25 178.66 3afl h ILE 212 N -0.58 0.29 -0.40 0.00 5.03 -1.29 -2.18 117.51 118.37 3afl h ILE 212 Ca -0.03 0.00 -0.08 0.00 -0.12 0.00 0.00 64.86 64.63 3afl h ILE 212 Cb 0.53 0.29 -0.01 0.00 -3.03 0.00 0.00 36.82 34.59 3afl h ILE 212 CO -0.09 0.00 -0.08 -0.09 -0.68 0.00 0.00 178.15 177.21 3afl h ARG 213 N -0.42 0.76 0.07 2.37 2.43 -0.45 -2.10 114.38 117.03 3afl h ARG 213 Ca 0.08 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3afl h ARG 213 Cb 0.55 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3afl h ARG 213 CO -0.33 0.89 -0.03 0.45 -1.51 0.00 0.00 179.97 179.44 3afl h HIS 214 N 0.57 -0.08 -0.53 2.20 3.86 -0.82 -1.85 115.15 118.49 3afl h HIS 214 Ca 0.10 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.42 3afl h HIS 214 Cb 0.60 0.03 -0.10 0.00 1.06 0.00 0.00 27.41 29.00 3afl h HIS 214 CO 0.05 0.50 -0.12 -0.07 0.86 0.00 0.00 177.93 179.15 3afl h LEU 215 N -0.82 -0.47 0.24 2.43 3.38 -1.48 0.16 115.31 118.75 3afl h LEU 215 Ca -0.01 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3afl h LEU 215 Cb 0.62 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3afl h LEU 215 CO 0.02 -0.17 -0.25 0.00 0.09 0.00 0.00 178.44 178.13 3afl h ALA 216 N 1.53 -0.50 -0.32 1.53 0.00 -1.41 0.24 119.26 120.32 3afl h ALA 216 Ca 0.26 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3afl h ALA 216 Cb 0.40 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3afl h ALA 216 CO -0.54 -0.81 -0.04 0.82 0.00 0.00 0.00 179.25 178.67 3afl h ILE 217 N -0.52 0.72 0.47 0.00 2.04 -0.93 -1.40 117.51 117.88 3afl h ILE 217 Ca -0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3afl h ILE 217 Cb 0.49 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3afl h ILE 217 CO -0.06 0.01 -0.41 0.00 0.00 0.00 0.00 178.15 177.68 3afl h ALA 218 N 1.30 -0.94 -0.82 1.87 0.00 -0.50 0.95 119.26 121.13 3afl h ALA 218 Ca 0.16 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.09 3afl h ALA 218 Cb 0.23 0.58 -0.15 0.00 0.00 0.00 0.00 17.79 18.45 3afl h ALA 218 CO -0.30 -1.06 -0.05 0.78 0.00 0.00 0.00 179.25 178.62 3afl h GLY 219 N -0.88 0.85 1.82 0.00 0.00 -0.14 0.29 103.07 105.01 3afl h GLY 219 Ca -0.05 0.16 -0.16 0.00 0.00 0.00 0.00 47.33 47.28 3afl h GLY 219 CO -0.03 -0.33 -0.87 3.21 0.00 0.00 0.00 176.54 178.52 3afl h ARG 220 N 0.06 0.00 -0.12 4.80 3.08 -0.96 0.34 114.38 121.58 3afl h ARG 220 Ca 0.44 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.31 3afl h ARG 220 Cb 0.78 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.84 3afl h ARG 220 CO -0.76 0.66 -0.64 0.28 -1.07 0.00 0.00 179.97 178.44 3afl h VAL 221 N 0.00 1.33 -0.01 2.04 2.07 0.32 -3.29 116.25 118.71 3afl h VAL 221 Ca -0.04 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.57 3afl h VAL 221 Cb 1.59 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 3afl h VAL 221 CO 0.09 0.59 -0.20 0.18 0.02 0.00 0.00 177.57 178.25 3afl n LEU 222 N -4.10 0.81 -3.25 2.57 4.77 0.92 -4.70 117.00 114.03 3afl n LEU 222 Ca -0.08 -0.16 -0.20 0.00 -0.03 0.00 0.00 56.01 55.54 3afl n LEU 222 Cb 0.67 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.69 3afl n LEU 222 CO 0.49 0.15 0.20 0.61 -1.33 0.00 0.00 177.39 177.51 3afl n GLY 223 N 1.32 -0.37 3.09 -0.72 0.00 0.04 -5.00 105.19 103.55 3afl n GLY 223 Ca 0.13 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 3afl n GLY 223 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3afl s ARG 224 N -5.97 1.89 0.59 1.61 0.52 0.99 -4.98 118.95 113.60 3afl s ARG 224 Ca 0.41 -1.72 0.28 0.00 -0.52 0.00 0.00 55.73 54.19 3afl s ARG 224 Cb -0.18 -3.33 1.66 0.00 0.52 0.00 0.00 34.95 33.62 3afl s ARG 224 CO 0.65 -0.92 2.12 -0.44 0.02 0.00 0.00 175.30 176.73 3afl h ASP 225 N 7.86 0.00 0.66 0.23 3.32 -1.95 -1.26 116.42 125.28 3afl h ASP 225 Ca -0.11 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.81 3afl h ASP 225 Cb 1.04 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3afl h ASP 225 CO 0.59 0.00 -0.62 -2.24 -1.72 0.00 0.00 179.24 175.24 3afl h ASP 226 N 0.00 0.00 0.50 6.45 -0.00 -1.96 -2.52 116.42 118.88 3afl h ASP 226 Ca 0.08 0.00 -0.25 0.00 -0.00 0.00 0.00 57.03 56.86 3afl h ASP 226 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.77 3afl h ASP 226 CO -0.00 0.62 -1.11 -0.07 -0.00 0.00 0.00 179.24 178.68 3afl h LEU 227 N 0.00 0.47 -0.61 0.15 3.38 -1.57 -2.43 115.31 114.70 3afl h LEU 227 Ca -0.01 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 3afl h LEU 227 Cb 1.12 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3afl h LEU 227 CO 0.08 1.30 0.25 -0.07 0.09 0.00 0.00 178.44 180.08 3afl h LEU 228 N 0.14 0.84 -0.44 1.67 3.38 -1.52 -0.12 115.31 119.26 3afl h LEU 228 Ca -0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3afl h LEU 228 Cb 1.79 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 3afl h LEU 228 CO 0.19 0.77 0.26 0.44 0.09 0.00 0.00 178.44 180.19 3afl h ASP 229 N 0.84 0.54 -0.53 -0.43 3.32 -1.46 0.45 116.42 119.16 3afl h ASP 229 Ca 0.20 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.22 3afl h ASP 229 Cb 0.20 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 3afl h ASP 229 CO -0.02 0.44 0.31 0.00 -1.72 0.00 0.00 179.24 178.25 3afl h ALA 230 N 1.12 0.68 -0.19 3.45 0.00 -1.24 -0.29 119.26 122.79 3afl h ALA 230 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3afl h ALA 230 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3afl h ALA 230 CO -0.03 0.01 0.09 1.03 0.00 0.00 0.00 179.25 180.36 3afl h SER 231 N 0.61 0.25 -0.44 0.00 0.87 -0.44 -2.67 113.55 111.73 3afl h SER 231 Ca 0.22 -0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.72 3afl h SER 231 Cb 0.04 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.89 3afl h SER 231 CO -0.10 0.29 0.15 -0.09 -0.53 0.00 0.00 176.83 176.55 3afl h ARG 232 N 0.18 0.31 -0.64 2.24 2.43 0.06 0.12 114.38 119.09 3afl h ARG 232 Ca 0.07 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.31 3afl h ARG 232 Cb 0.11 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.52 3afl h ARG 232 CO -0.01 0.21 0.27 -0.22 -1.51 0.00 0.00 179.97 178.70 3afl h LYS 233 N 0.32 0.45 0.09 0.20 3.64 -0.84 0.27 116.57 120.71 3afl h LYS 233 Ca 0.21 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3afl h LYS 233 Cb 0.21 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3afl h LYS 233 CO -0.22 0.30 -0.04 -1.49 -2.27 0.00 0.00 179.45 175.73 3afl h TRP 234 N 0.47 -0.12 -0.71 1.91 4.06 -1.17 -2.50 115.95 117.89 3afl h TRP 234 Ca 0.32 -0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.35 3afl h TRP 234 Cb 0.38 0.04 -0.07 0.00 -1.00 0.00 0.00 29.16 28.51 3afl h TRP 234 CO -0.15 0.09 0.37 1.25 -3.56 0.00 0.00 178.44 176.44 3afl h LEU 235 N -0.31 0.50 -0.21 -4.49 5.85 0.72 -1.82 115.31 115.54 3afl h LEU 235 Ca -0.01 0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.56 3afl h LEU 235 Cb 0.26 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.26 3afl h LEU 235 CO 0.02 0.29 -0.66 -0.07 -0.34 0.00 0.00 178.44 177.68 3afl h LEU 236 N 0.64 0.95 -1.34 2.25 3.38 -0.58 -0.37 115.31 120.25 3afl h LEU 236 Ca 0.34 -0.59 0.11 0.00 0.09 0.00 0.00 57.88 57.84 3afl h LEU 236 Cb 0.33 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 3afl h LEU 236 CO -0.25 1.37 0.53 0.00 0.09 0.00 0.00 178.44 180.19 3afl h ALA 237 N 0.61 1.79 0.09 1.53 0.00 -1.09 -2.05 119.26 120.12 3afl h ALA 237 Ca -0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3afl h ALA 237 Cb 1.28 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.93 3afl h ALA 237 CO 0.14 0.03 -0.60 0.28 0.00 0.00 0.00 179.25 179.10 3afl h VAL 238 N 0.72 1.55 -0.03 0.00 2.07 -1.02 -3.10 116.25 116.44 3afl h VAL 238 Ca 0.39 -2.39 0.01 0.00 0.82 0.00 0.00 66.70 65.52 3afl h VAL 238 Cb 0.52 3.12 -0.00 0.00 -1.52 0.00 0.00 31.29 33.40 3afl h VAL 238 CO -0.15 0.67 0.11 0.00 0.02 0.00 0.00 177.57 178.21 3afl h ALA 239 N 0.12 1.27 0.00 1.67 0.00 -0.91 0.13 119.26 121.54 3afl h ALA 239 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3afl h ALA 239 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3afl h ALA 239 CO 0.11 -0.13 -0.25 0.00 0.00 0.00 0.00 179.25 178.99 3afl h ALA 240 N 1.81 0.84 -2.93 0.00 0.00 -1.30 -3.47 119.26 114.21 3afl h ALA 240 Ca 0.01 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.38 3afl h ALA 240 Cb 0.23 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.18 3afl h ALA 240 CO -0.00 0.00 0.47 -1.58 0.00 0.00 0.00 179.25 178.14 3afl s TRP 241 N -3.14 2.07 -0.27 0.00 0.51 0.43 -4.88 118.94 113.66 3afl s TRP 241 Ca 0.08 1.53 -0.29 0.00 -2.12 0.00 0.00 56.10 55.31 3afl s TRP 241 Cb 0.12 -3.61 -0.02 0.00 -0.81 0.00 0.00 33.47 29.15 3afl s TRP 241 CO 0.65 -2.78 1.71 0.34 -0.51 0.00 0.00 176.95 176.36 3afl s ASP 242 N -1.62 6.14 0.52 2.95 2.15 -1.26 -4.88 116.67 120.66 3afl s ASP 242 Ca 0.79 1.46 0.25 0.00 0.43 0.00 0.00 52.55 55.48 3afl s ASP 242 Cb -0.34 -2.53 1.43 0.00 -0.30 0.00 0.00 42.92 41.18 3afl s ASP 242 CO 0.41 -1.48 2.10 0.71 -0.17 0.00 0.00 175.17 176.74 3afl h THR 243 N 6.48 0.69 -0.53 1.71 1.35 -1.93 -0.79 112.91 119.89 3afl h THR 243 Ca -0.34 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3afl h THR 243 Cb 1.16 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3afl h THR 243 CO 1.02 0.10 0.00 0.29 -0.25 0.00 0.00 175.52 176.68 3afl n LYS 244 N -3.86 2.74 0.00 4.72 5.02 -1.26 -4.35 118.16 121.17 3afl n LYS 244 Ca -0.02 -2.34 0.00 0.00 -2.02 0.00 0.00 58.31 53.93 3afl n LYS 244 Cb 0.20 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3afl n LYS 244 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3afl n GLY 245 N 1.11 1.06 0.15 0.72 0.00 -0.30 -4.87 105.19 103.05 3afl n GLY 245 Ca 0.18 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 3afl n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3afl h ALA 246 N -1.78 0.41 -0.01 4.61 0.00 -1.84 -3.01 119.26 117.65 3afl h ALA 246 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3afl h ALA 246 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3afl h ALA 246 CO 0.00 -0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.32 3afl n THR 247 N -4.92 0.32 -1.98 0.00 -2.24 -1.26 -3.65 114.28 100.55 3afl n THR 247 Ca -0.00 -0.01 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 3afl n THR 247 Cb 0.06 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 3afl n THR 247 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3afl s SER 248 N 0.29 6.14 0.25 3.42 1.04 -1.14 -3.72 113.70 119.98 3afl s SER 248 Ca 0.01 1.54 -0.04 0.00 0.48 0.00 0.00 55.95 57.94 3afl s SER 248 Cb 0.00 -2.49 0.45 0.00 0.10 0.00 0.00 66.02 64.08 3afl s SER 248 CO 0.00 -0.93 1.75 -0.09 0.98 0.00 0.00 173.24 174.96 3afl h ARG 249 N 0.03 0.52 -0.31 4.02 2.43 -1.86 -1.80 114.38 117.41 3afl h ARG 249 Ca -0.45 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.73 3afl h ARG 249 Cb 1.20 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 3afl h ARG 249 CO 0.60 0.35 0.08 0.00 -1.51 0.00 0.00 179.97 179.49 3afl h ALA 250 N 1.52 0.34 0.15 2.80 0.00 -1.92 -2.23 119.26 119.91 3afl h ALA 250 Ca 0.41 0.05 -0.26 0.00 0.00 0.00 0.00 54.91 55.12 3afl h ALA 250 Cb 0.57 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.44 3afl h ALA 250 CO -0.36 -0.33 -1.09 -0.92 0.00 0.00 0.00 179.25 176.55 3afl h TYR 251 N 0.20 0.82 -1.20 0.00 3.20 -1.67 -3.43 116.97 114.89 3afl h TYR 251 Ca 0.14 -0.55 -0.15 0.00 3.14 0.00 0.00 58.73 61.32 3afl h TYR 251 Cb 0.14 -0.05 -0.21 0.00 1.54 0.00 0.00 36.73 38.15 3afl h TYR 251 CO -0.16 1.41 -0.51 1.21 -1.64 0.00 0.00 178.16 178.46 3afl s ASN 252 N -7.25 -0.99 0.56 -2.11 3.84 -0.71 -5.01 114.94 103.28 3afl s ASN 252 Ca -0.11 -1.18 0.27 0.00 0.21 0.00 0.00 52.86 52.04 3afl s ASN 252 Cb 0.03 1.65 1.65 0.00 -0.55 0.00 0.00 41.25 44.03 3afl s ASN 252 CO 0.89 -0.16 2.20 -2.24 -2.79 0.00 0.00 177.10 175.00 3afl h ASP 253 N 6.55 0.00 -0.41 -4.21 2.03 -1.52 0.20 116.42 119.06 3afl h ASP 253 Ca 0.06 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.33 3afl h ASP 253 Cb 1.14 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.62 3afl h ASP 253 CO 0.11 0.03 0.13 -0.33 -1.03 0.00 0.00 179.24 178.15 3afl h GLU 254 N 0.00 0.63 -0.43 4.15 4.39 -1.91 0.30 114.58 121.73 3afl h GLU 254 Ca -0.00 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 3afl h GLU 254 Cb 0.08 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3afl h GLU 254 CO 0.00 0.62 0.08 0.00 -1.16 0.00 0.00 179.01 178.56 3afl h ALA 255 N 0.98 0.56 0.78 3.43 0.00 -1.25 -3.09 119.26 120.67 3afl h ALA 255 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3afl h ALA 255 Cb 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3afl h ALA 255 CO -0.01 0.26 -0.49 0.78 0.00 0.00 0.00 179.25 179.80 3afl h GLY 256 N 0.56 -1.33 -0.89 0.00 0.00 -0.42 -1.73 103.07 99.26 3afl h GLY 256 Ca 0.13 0.55 0.14 0.00 0.00 0.00 0.00 47.33 48.15 3afl h GLY 256 CO 0.01 -0.45 -0.38 0.74 0.00 0.00 0.00 176.54 176.46 3afl h PHE 257 N -1.19 -1.07 -0.83 5.60 0.04 -0.48 -1.24 116.94 117.77 3afl h PHE 257 Ca -0.10 0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3afl h PHE 257 Cb 0.96 0.60 -0.04 0.00 2.20 0.00 0.00 35.95 39.67 3afl h PHE 257 CO -0.11 -0.40 0.44 0.00 -0.60 0.00 0.00 178.31 177.63 3afl h ARG 258 N -0.03 1.16 -0.36 1.51 3.08 -1.42 -2.42 114.38 115.90 3afl h ARG 258 Ca 0.32 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3afl h ARG 258 Cb 0.59 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3afl h ARG 258 CO -0.93 0.87 0.21 0.28 -1.07 0.00 0.00 179.97 179.33 3afl h VAL 259 N 1.16 1.13 -0.51 2.04 2.07 -0.31 -2.28 116.25 119.56 3afl h VAL 259 Ca 0.29 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.55 3afl h VAL 259 Cb 0.06 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3afl h VAL 259 CO -0.04 0.14 0.15 0.58 0.02 0.00 0.00 177.57 178.41 3afl h VAL 260 N 0.47 0.77 0.09 2.57 2.07 -1.17 -1.58 116.25 119.46 3afl h VAL 260 Ca 0.13 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.56 3afl h VAL 260 Cb 0.04 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3afl h VAL 260 CO -0.02 0.05 -0.20 0.58 0.02 0.00 0.00 177.57 178.01 3afl h VAL 261 N 0.30 0.55 -0.40 2.57 2.07 -1.05 0.84 116.25 121.13 3afl h VAL 261 Ca 0.25 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.85 3afl h VAL 261 Cb 0.31 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 3afl h VAL 261 CO -0.29 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.22 3afl h ALA 262 N 0.46 0.29 -0.36 1.67 0.00 -1.05 -1.37 119.26 118.90 3afl h ALA 262 Ca 0.03 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3afl h ALA 262 Cb 0.40 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3afl h ALA 262 CO -0.12 -0.44 0.10 -0.07 0.00 0.00 0.00 179.25 178.71 3afl h LEU 263 N 0.02 0.07 -0.65 0.00 3.38 -0.84 -1.05 115.31 116.24 3afl h LEU 263 Ca 0.20 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.32 3afl h LEU 263 Cb 0.30 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 3afl h LEU 263 CO -0.40 0.08 0.24 0.00 0.09 0.00 0.00 178.44 178.45 3afl h ALA 264 N 1.25 0.85 -0.08 1.53 0.00 0.03 0.35 119.26 123.19 3afl h ALA 264 Ca 0.17 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3afl h ALA 264 Cb 0.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3afl h ALA 264 CO -0.20 -0.20 -0.30 -1.49 0.00 0.00 0.00 179.25 177.06 3afl h TRP 265 N 0.41 0.46 -0.31 0.00 4.06 -0.89 -1.85 115.95 117.83 3afl h TRP 265 Ca 0.33 -0.19 0.02 0.00 2.06 0.00 0.00 58.89 61.11 3afl h TRP 265 Cb 0.44 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 3afl h TRP 265 CO -0.17 0.92 0.15 0.78 -3.56 0.00 0.00 178.44 176.55 3afl h GLY 266 N -0.12 0.42 1.25 1.49 0.00 -1.08 -1.03 103.07 104.00 3afl h GLY 266 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 3afl h GLY 266 CO 0.06 0.08 0.36 -1.82 0.00 0.00 0.00 176.54 175.22 3afl h TYR 267 N 0.31 0.97 0.16 5.60 3.20 -0.97 -0.07 116.97 126.17 3afl h TYR 267 Ca 0.13 -0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.67 3afl h TYR 267 Cb 0.06 -0.31 0.03 0.00 1.54 0.00 0.00 36.73 38.04 3afl h TYR 267 CO -0.10 0.69 -1.31 0.22 -1.64 0.00 0.00 178.16 176.01 3afl h ASP 268 N 0.98 0.77 0.47 -2.11 3.58 -1.02 -2.90 116.42 116.18 3afl h ASP 268 Ca 0.24 -0.76 0.00 0.00 0.42 0.00 0.00 57.03 56.93 3afl h ASP 268 Cb 0.06 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.87 3afl h ASP 268 CO -0.04 1.58 -1.53 0.79 -2.88 0.00 0.00 179.24 177.16 3afl n TRP 269 N -3.71 0.45 -0.21 0.28 7.02 -0.42 -3.96 117.44 116.90 3afl n TRP 269 Ca -0.13 0.13 0.10 0.00 -1.02 0.00 0.00 57.50 56.58 3afl n TRP 269 Cb 1.03 -0.71 0.26 0.00 -2.42 0.00 0.00 31.31 29.47 3afl n TRP 269 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3afl n LEU 270 N -2.45 3.61 -0.23 -0.99 4.77 -0.04 -4.69 117.00 116.98 3afl n LEU 270 Ca -0.02 -1.90 0.01 0.00 -0.03 0.00 0.00 56.01 54.07 3afl n LEU 270 Cb 0.56 -0.39 0.09 0.00 -2.33 0.00 0.00 43.42 41.36 3afl n LEU 270 CO 0.43 0.88 0.77 0.22 -1.33 0.00 0.00 177.39 178.36 3afl h TYR 271 N 3.77 -0.23 0.00 -1.77 3.20 -1.65 0.15 116.97 120.44 3afl h TYR 271 Ca 0.00 0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.82 3afl h TYR 271 Cb 0.92 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 3afl h TYR 271 CO 0.39 -0.25 -0.52 -0.44 -1.64 0.00 0.00 178.16 175.69 3afl h ASP 272 N 0.04 0.00 1.80 -2.11 3.32 -1.89 -3.24 116.42 114.35 3afl h ASP 272 Ca 0.34 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 3afl h ASP 272 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3afl h ASP 272 CO -0.65 0.52 -0.20 -0.74 -1.72 0.00 0.00 179.24 176.45 3afl h HIS 273 N 0.00 0.00 -4.34 4.55 2.76 -1.13 -3.45 115.15 113.53 3afl h HIS 273 Ca -0.01 0.00 -0.51 0.00 -2.20 0.00 0.00 60.37 57.65 3afl h HIS 273 Cb 1.22 0.00 0.09 0.00 1.55 0.00 0.00 27.41 30.27 3afl h HIS 273 CO 0.00 0.19 0.38 -0.51 -1.30 0.00 0.00 177.93 176.70 3afl s LEU 274 N -6.31 3.13 0.55 0.26 1.43 0.09 -5.08 118.68 112.76 3afl s LEU 274 Ca 0.06 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 54.72 3afl s LEU 274 Cb 0.06 -4.46 0.04 0.00 0.03 0.00 0.00 46.19 41.86 3afl s LEU 274 CO 0.70 -1.31 0.77 -0.94 0.23 0.00 0.00 176.35 175.80 3afl s SER 275 N -3.91 5.25 0.24 2.29 1.04 -1.26 -4.89 113.70 112.47 3afl s SER 275 Ca 0.57 -0.08 -0.12 0.00 0.48 0.00 0.00 55.95 56.81 3afl s SER 275 Cb -0.13 -0.79 0.32 0.00 0.10 0.00 0.00 66.02 65.52 3afl s SER 275 CO 0.55 -1.16 1.59 -0.08 0.98 0.00 0.00 173.24 175.12 3afl h GLU 276 N 0.08 -0.01 0.18 4.02 4.22 -1.97 -1.75 114.58 119.34 3afl h GLU 276 Ca -0.41 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.02 3afl h GLU 276 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3afl h GLU 276 CO 0.51 -0.01 -0.09 -0.44 -2.18 0.00 0.00 179.01 176.80 3afl h ASP 277 N -0.02 -0.20 -0.93 1.04 5.19 -1.99 -3.06 116.42 116.45 3afl h ASP 277 Ca 0.38 -0.27 0.21 0.00 -0.62 0.00 0.00 57.03 56.72 3afl h ASP 277 Cb 0.59 0.05 -0.12 0.00 0.18 0.00 0.00 39.33 40.04 3afl h ASP 277 CO -0.84 0.19 0.49 -0.33 -3.12 0.00 0.00 179.24 175.63 3afl h GLU 278 N -0.63 0.53 -0.42 3.56 5.08 -1.78 0.68 114.58 121.59 3afl h GLU 278 Ca -0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3afl h GLU 278 Cb 0.46 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3afl h GLU 278 CO 0.04 0.35 0.22 0.00 -1.00 0.00 0.00 179.01 178.62 3afl h ARG 279 N 0.55 0.60 -0.21 2.33 3.08 -1.38 -1.15 114.38 118.19 3afl h ARG 279 Ca 0.56 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 60.39 3afl h ARG 279 Cb 0.99 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3afl h ARG 279 CO -0.46 0.49 -0.45 -0.09 -1.07 0.00 0.00 179.97 178.39 3afl h ARG 280 N 0.55 0.67 -0.34 0.04 2.43 -0.78 0.13 114.38 117.08 3afl h ARG 280 Ca 0.15 -0.45 0.04 0.00 -0.81 0.00 0.00 59.98 58.91 3afl h ARG 280 Cb 0.08 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3afl h ARG 280 CO -0.02 1.07 0.12 1.15 -1.51 0.00 0.00 179.97 180.77 3afl h THR 281 N 0.37 0.90 0.43 0.20 2.02 0.26 -1.39 112.91 115.71 3afl h THR 281 Ca 0.00 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3afl h THR 281 Cb 1.06 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3afl h THR 281 CO 0.10 0.05 -0.21 0.58 0.37 0.00 0.00 175.52 176.41 3afl h VAL 282 N 0.26 0.44 -0.95 3.16 2.07 -1.16 -2.56 116.25 117.50 3afl h VAL 282 Ca 0.16 -0.54 0.20 0.00 0.82 0.00 0.00 66.70 67.34 3afl h VAL 282 Cb 0.13 0.63 -0.11 0.00 -1.52 0.00 0.00 31.29 30.43 3afl h VAL 282 CO -0.16 0.08 0.54 -0.09 0.02 0.00 0.00 177.57 177.95 3afl h ARG 283 N -0.94 0.62 0.07 1.57 2.43 -0.77 0.48 114.38 117.83 3afl h ARG 283 Ca -0.06 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3afl h ARG 283 Cb 0.56 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3afl h ARG 283 CO 0.10 0.41 -0.08 1.03 -1.51 0.00 0.00 179.97 179.91 3afl h SER 284 N 0.64 -0.22 0.10 -3.80 0.87 -1.25 0.19 113.55 110.08 3afl h SER 284 Ca 0.57 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 61.01 3afl h SER 284 Cb 0.94 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 3afl h SER 284 CO -0.42 -0.13 -0.49 0.58 -0.53 0.00 0.00 176.83 175.84 3afl h VAL 285 N -0.18 1.32 -0.12 2.23 2.07 -0.69 -2.87 116.25 118.02 3afl h VAL 285 Ca 0.01 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.81 3afl h VAL 285 Cb 0.18 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3afl h VAL 285 CO -0.03 0.53 0.03 0.25 0.02 0.00 0.00 177.57 178.37 3afl h LEU 286 N 0.36 0.18 -0.75 2.57 5.85 0.10 -2.80 115.31 120.82 3afl h LEU 286 Ca 0.02 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3afl h LEU 286 Cb 0.99 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 3afl h LEU 286 CO 0.09 0.35 0.40 0.25 -0.34 0.00 0.00 178.44 179.18 3afl h LEU 287 N -0.00 0.95 -0.27 2.25 5.85 -0.61 0.35 115.31 123.83 3afl h LEU 287 Ca 0.04 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 3afl h LEU 287 Cb 0.23 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3afl h LEU 287 CO -0.00 0.78 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.76 3afl h GLU 288 N 1.04 0.50 -0.59 1.25 4.81 -1.56 0.18 114.58 120.21 3afl h GLU 288 Ca 0.26 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3afl h GLU 288 Cb 0.05 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3afl h GLU 288 CO -0.04 0.70 0.14 0.00 -0.73 0.00 0.00 179.01 179.07 3afl h ARG 289 N 0.27 0.95 -0.67 1.92 3.08 -1.27 -1.64 114.38 117.01 3afl h ARG 289 Ca 0.07 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 3afl h ARG 289 Cb 0.50 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3afl h ARG 289 CO 0.02 0.88 0.11 1.15 -1.07 0.00 0.00 179.97 181.06 3afl h THR 290 N 0.86 1.26 -0.52 2.04 2.02 -0.87 -2.95 112.91 114.76 3afl h THR 290 Ca 0.19 -1.04 0.07 0.00 0.77 0.00 0.00 66.41 66.39 3afl h THR 290 Cb 0.36 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 3afl h THR 290 CO 0.00 0.39 0.20 -0.09 0.37 0.00 0.00 175.52 176.40 3afl h ARG 291 N 1.03 0.39 -0.74 6.66 2.43 -0.25 0.16 114.38 124.06 3afl h ARG 291 Ca 0.20 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.47 3afl h ARG 291 Cb 0.44 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.82 3afl h ARG 291 CO 0.01 0.26 0.35 1.49 -1.51 0.00 0.00 179.97 180.57 3afl h GLU 292 N 0.40 0.54 0.11 0.20 4.81 -1.14 0.62 114.58 120.12 3afl h GLU 292 Ca 0.25 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3afl h GLU 292 Cb 0.24 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3afl h GLU 292 CO -0.23 0.36 -0.05 0.28 -0.73 0.00 0.00 179.01 178.63 3afl h VAL 293 N 0.56 1.10 -0.52 0.32 2.07 -1.34 -2.18 116.25 116.26 3afl h VAL 293 Ca 0.39 -1.01 0.09 0.00 0.82 0.00 0.00 66.70 66.98 3afl h VAL 293 Cb 0.49 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.91 3afl h VAL 293 CO -0.32 0.24 0.12 0.00 0.02 0.00 0.00 177.57 177.62 3afl h ALA 294 N 0.16 0.60 0.57 1.67 0.00 -0.33 0.30 119.26 122.23 3afl h ALA 294 Ca -0.01 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3afl h ALA 294 Cb 0.50 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3afl h ALA 294 CO 0.02 -0.29 -0.36 -0.44 0.00 0.00 0.00 179.25 178.19 3afl h ASP 295 N 0.26 -0.90 -0.69 0.00 3.32 -0.95 -1.02 116.42 116.43 3afl h ASP 295 Ca 0.26 0.05 0.14 0.00 0.02 0.00 0.00 57.03 57.50 3afl h ASP 295 Cb 0.35 0.27 -0.10 0.00 0.22 0.00 0.00 39.33 40.06 3afl h ASP 295 CO -0.32 -0.55 0.19 -0.74 -1.72 0.00 0.00 179.24 176.09 3afl h HIS 296 N -0.88 0.31 -0.15 4.55 2.76 -0.70 0.40 115.15 121.43 3afl h HIS 296 Ca -0.07 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.05 3afl h HIS 296 Cb 0.72 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.65 3afl h HIS 296 CO -0.10 -0.03 -0.26 0.28 -1.30 0.00 0.00 177.93 176.52 3afl h VAL 297 N 0.31 1.36 0.05 5.26 2.07 -0.91 0.62 116.25 125.00 3afl h VAL 297 Ca 0.38 -1.51 -0.24 0.00 0.82 0.00 0.00 66.70 66.15 3afl h VAL 297 Cb 0.61 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 3afl h VAL 297 CO -0.45 0.45 -1.28 0.40 0.02 0.00 0.00 177.57 176.70 3afl h ILE 298 N 0.05 1.00 0.04 4.57 2.04 -0.80 -2.99 117.51 121.43 3afl h ILE 298 Ca 0.01 -2.29 -0.37 0.00 1.00 0.00 0.00 64.86 63.21 3afl h ILE 298 Cb 0.84 2.53 -0.05 0.00 -0.74 0.00 0.00 36.82 39.40 3afl h ILE 298 CO 0.06 0.54 -2.16 0.00 0.00 0.00 0.00 178.15 176.59 3afl n ALA 299 N -3.14 1.12 -0.64 1.87 0.00 0.13 -3.71 120.51 116.14 3afl n ALA 299 Ca -0.28 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3afl n ALA 299 Cb 0.78 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3afl n ALA 299 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3afl n HIS 300 N -3.64 0.00 0.22 0.00 8.25 -0.75 -4.19 115.22 115.11 3afl n HIS 300 Ca -0.41 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.12 3afl n HIS 300 Cb 0.95 -0.18 0.49 0.00 1.12 0.00 0.00 29.99 32.38 3afl n HIS 300 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3afl h ALA 301 N -2.00 1.34 -6.49 -1.41 0.00 -1.08 -3.48 119.26 106.14 3afl h ALA 301 Ca 0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 54.91 54.26 3afl h ALA 301 Cb 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3afl h ALA 301 CO 0.00 0.33 -0.89 0.54 0.00 0.00 0.00 179.25 179.23 3afl n ARG 302 N -3.89 -1.34 0.00 0.00 1.74 -1.14 -4.20 116.66 107.82 3afl n ARG 302 Ca -0.02 0.79 0.07 0.00 -0.77 0.00 0.00 57.85 57.92 3afl n ARG 302 Cb 0.34 -3.05 0.33 0.00 -1.02 0.00 0.00 32.46 29.06 3afl n ARG 302 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3afl n ILE 303 N -2.86 0.79 1.57 0.55 -5.35 -1.17 0.13 119.36 113.02 3afl n ILE 303 Ca -0.23 0.20 0.10 0.00 -0.27 0.00 0.00 62.75 62.55 3afl n ILE 303 Cb 0.64 -0.96 0.46 0.00 -1.74 0.00 0.00 39.64 38.04 3afl n ILE 303 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3afl n HIS 304 N -1.37 0.11 0.04 4.28 1.44 -1.26 -3.48 115.22 114.97 3afl n HIS 304 Ca 0.05 -0.06 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3afl n HIS 304 Cb 0.13 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.24 3afl n HIS 304 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3afl n VAL 305 N -0.17 0.36 -3.57 0.61 0.31 0.70 -4.83 118.33 111.73 3afl n VAL 305 Ca 0.15 0.12 -0.40 0.00 -0.01 0.00 0.00 64.34 64.20 3afl n VAL 305 Cb 0.21 -1.16 -0.07 0.00 -0.91 0.00 0.00 33.84 31.92 3afl n VAL 305 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3afl s PHE 306 N -2.00 3.53 -0.49 3.52 0.08 0.12 -1.21 117.98 121.53 3afl s PHE 306 Ca 0.00 -2.41 0.24 0.00 0.12 0.00 0.00 56.93 54.88 3afl s PHE 306 Cb 0.00 -3.43 0.37 0.00 -0.57 0.00 0.00 43.02 39.39 3afl s PHE 306 CO 0.00 -0.90 1.49 -1.00 -0.10 0.00 0.00 175.22 174.71 3afl h PRO 307 N 7.39 0.00 -3.59 0.24 0.13 -1.71 -3.32 132.00 131.14 3afl h PRO 307 Ca 0.01 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.47 3afl h PRO 307 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 3afl h PRO 307 CO 0.74 0.00 3.37 0.66 -0.23 0.00 0.00 178.00 182.54 3afl n TYR 308 N -2.70 2.89 -3.84 1.56 4.01 -1.26 -4.76 117.16 113.06 3afl n TYR 308 Ca 0.03 -2.92 -0.30 0.00 -0.16 0.00 0.00 57.90 54.56 3afl n TYR 308 Cb 0.50 -2.45 -0.15 0.00 -0.31 0.00 0.00 39.34 36.93 3afl n TYR 308 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3afl s ASP 309 N 2.88 3.83 0.01 7.72 -1.08 -1.26 -5.02 116.67 123.76 3afl s ASP 309 Ca 0.57 -1.37 -0.03 0.00 -0.52 0.00 0.00 52.55 51.19 3afl s ASP 309 Cb 0.15 -1.01 -0.01 0.00 -1.46 0.00 0.00 42.92 40.59 3afl s ASP 309 CO -0.06 -0.33 1.05 -1.28 0.52 0.00 0.00 175.17 175.07 3afl h SER 310 N 8.02 -0.17 0.20 -0.34 0.87 -2.00 -1.17 113.55 118.96 3afl h SER 310 Ca -0.14 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 3afl h SER 310 Cb 1.06 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 3afl h SER 310 CO 0.43 -0.04 -0.24 0.45 -0.53 0.00 0.00 176.83 176.90 3afl h HIS 311 N -0.04 0.08 0.53 2.24 3.86 -1.98 -1.87 115.15 117.97 3afl h HIS 311 Ca 0.01 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3afl h HIS 311 Cb 0.06 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 28.51 3afl h HIS 311 CO -0.61 0.32 -0.25 0.00 0.86 0.00 0.00 177.93 178.24 3afl h ALA 312 N 1.69 -0.71 -0.24 2.45 0.00 -1.93 -0.28 119.26 120.24 3afl h ALA 312 Ca 0.01 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3afl h ALA 312 Cb 0.47 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 3afl h ALA 312 CO 0.03 -0.77 -0.32 0.28 0.00 0.00 0.00 179.25 178.47 3afl h VAL 313 N -0.98 0.26 -0.71 0.00 2.07 -1.10 -1.92 116.25 113.88 3afl h VAL 313 Ca -0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.52 3afl h VAL 313 Cb 0.62 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 3afl h VAL 313 CO 0.12 0.00 0.38 -0.09 0.02 0.00 0.00 177.57 178.00 3afl h ARG 314 N -0.34 0.65 0.00 1.57 2.43 -1.38 -2.18 114.38 115.12 3afl h ARG 314 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3afl h ARG 314 Cb 0.54 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3afl h ARG 314 CO -0.43 0.43 0.00 0.66 -1.51 0.00 0.00 179.97 179.12 3afl h SER 315 N 0.67 0.00 0.27 -3.80 4.64 -0.22 -1.65 113.55 113.45 3afl h SER 315 Ca 0.33 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.66 3afl h SER 315 Cb 0.28 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 3afl h SER 315 CO -0.23 0.00 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.23 3afl h LEU 316 N 0.00 -1.25 0.10 5.97 3.38 -1.17 -0.13 115.31 122.21 3afl h LEU 316 Ca 0.00 0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 3afl h LEU 316 Cb 0.14 0.44 0.02 0.00 0.09 0.00 0.00 40.66 41.35 3afl h LEU 316 CO 0.00 -0.54 -0.71 0.28 0.09 0.00 0.00 178.44 177.56 3afl h SER 317 N -0.77 0.46 -0.08 -0.43 0.02 -1.60 -1.68 113.55 109.47 3afl h SER 317 Ca -0.01 -0.90 -0.07 0.00 -0.84 0.00 0.00 61.79 59.96 3afl h SER 317 Cb 0.74 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3afl h SER 317 CO -0.16 1.32 -0.16 0.00 -1.14 0.00 0.00 176.83 176.69 3afl h ALA 318 N 0.14 1.26 0.00 3.77 0.00 -1.38 -3.38 119.26 119.67 3afl h ALA 318 Ca -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3afl h ALA 318 Cb 1.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3afl h ALA 318 CO 0.13 0.49 0.00 0.28 0.00 0.00 0.00 179.25 180.15 3afl n VAL 319 N -4.19 0.92 -0.21 0.00 0.31 -0.17 -4.79 118.33 110.19 3afl n VAL 319 Ca 0.00 0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 64.61 3afl n VAL 319 Cb 0.33 -1.42 0.09 0.00 -0.91 0.00 0.00 33.84 31.93 3afl n VAL 319 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3afl h LEU 320 N 0.00 0.46 0.80 7.52 3.38 -0.89 -2.37 115.31 124.20 3afl h LEU 320 Ca 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3afl h LEU 320 Cb 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3afl h LEU 320 CO 0.00 0.30 -0.46 0.74 0.09 0.00 0.00 178.44 179.11 3afl h THR 321 N 0.60 0.00 -0.93 0.22 2.02 -1.48 0.26 112.91 113.60 3afl h THR 321 Ca 0.28 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.58 3afl h THR 321 Cb 0.19 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.52 3afl h THR 321 CO -0.19 0.00 0.55 1.55 0.37 0.00 0.00 175.52 177.80 3afl h PRO 322 N -1.17 0.83 0.13 6.66 0.13 -1.75 -2.44 132.00 134.40 3afl h PRO 322 Ca -0.11 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 3afl h PRO 322 Cb 0.93 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3afl h PRO 322 CO 0.13 0.55 -0.06 0.00 -0.23 0.00 0.00 178.00 178.38 3afl h ALA 323 N 1.53 -0.18 -0.63 -0.56 0.00 -1.14 -2.09 119.26 116.18 3afl h ALA 323 Ca 0.47 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3afl h ALA 323 Cb 0.51 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3afl h ALA 323 CO -0.29 -0.36 0.25 0.00 0.00 0.00 0.00 179.25 178.85 3afl h ILE 325 N 0.91 1.14 -0.50 0.00 2.04 -1.48 -1.73 117.51 117.89 3afl h ILE 325 Ca 0.21 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.81 3afl h ILE 325 Cb 0.18 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 3afl h ILE 325 CO -0.02 0.14 0.14 0.00 0.00 0.00 0.00 178.15 178.42 3afl h ALA 326 N 1.09 0.60 -0.00 1.87 0.00 -0.57 -3.07 119.26 119.18 3afl h ALA 326 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3afl h ALA 326 Cb 0.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3afl h ALA 326 CO -0.02 -0.26 -0.11 1.28 0.00 0.00 0.00 179.25 180.14 3afl n LEU 327 N -5.05 0.12 -4.55 0.00 4.77 -0.05 -4.92 117.00 107.31 3afl n LEU 327 Ca 0.06 0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.99 3afl n LEU 327 Cb 0.23 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3afl n LEU 327 CO 0.22 0.03 0.41 0.00 -1.33 0.00 0.00 177.39 176.73 3afl n GLN 328 N -1.48 1.07 0.00 3.23 1.13 -0.68 -1.69 117.38 118.96 3afl n GLN 328 Ca 0.07 0.38 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 3afl n GLN 328 Cb 0.33 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 28.89 3afl n GLN 328 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3afl n GLY 329 N 1.40 2.31 1.05 1.08 0.00 -1.26 -4.75 105.19 105.02 3afl n GLY 329 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3afl n GLY 329 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3afl n GLU 330 N -1.98 3.26 0.00 1.61 -0.58 -0.68 -4.95 120.64 117.32 3afl n GLU 330 Ca 0.00 -2.86 0.00 0.00 -0.42 0.00 0.00 57.16 53.88 3afl n GLU 330 Cb 0.00 -1.89 0.00 0.00 -0.57 0.00 0.00 31.44 28.98 3afl n GLU 330 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3afl n SER 331 N -0.25 0.00 0.19 1.62 2.88 -1.25 -5.02 113.62 111.79 3afl n SER 331 Ca 0.22 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.85 3afl n SER 331 Cb 0.92 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.53 3afl n SER 331 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3afl h ASP 332 N 0.00 0.00 0.12 -3.46 5.19 -1.95 -3.09 116.42 113.24 3afl h ASP 332 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3afl h ASP 332 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3afl h ASP 332 CO 0.00 0.19 -0.06 -0.33 -3.12 0.00 0.00 179.24 175.92 3afl h GLU 333 N 0.00 -0.16 -0.88 3.56 5.08 -1.99 -2.64 114.58 117.55 3afl h GLU 333 Ca -0.00 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 3afl h GLU 333 Cb 1.12 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 3afl h GLU 333 CO 0.02 0.11 0.51 0.00 -1.00 0.00 0.00 179.01 178.66 3afl h ALA 334 N 0.42 1.29 -0.27 3.43 0.00 -1.93 0.22 119.26 122.41 3afl h ALA 334 Ca -0.02 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3afl h ALA 334 Cb 0.34 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3afl h ALA 334 CO 0.03 0.11 -0.08 0.78 0.00 0.00 0.00 179.25 180.09 3afl h GLY 335 N 0.83 0.18 1.00 0.00 0.00 -1.52 0.13 103.07 103.68 3afl h GLY 335 Ca 0.44 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3afl h GLY 335 CO -0.27 -0.11 0.05 0.83 0.00 0.00 0.00 176.54 177.04 3afl h GLU 336 N -0.02 0.10 -0.75 4.80 4.39 -0.83 -2.32 114.58 119.95 3afl h GLU 336 Ca 0.13 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.86 3afl h GLU 336 Cb 0.22 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 3afl h GLU 336 CO -0.29 0.07 0.48 -1.49 -1.16 0.00 0.00 179.01 176.61 3afl h TRP 337 N 0.10 0.89 -0.19 4.33 6.55 -0.33 -1.30 115.95 126.01 3afl h TRP 337 Ca 0.03 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.89 3afl h TRP 337 Cb -0.01 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 27.99 3afl h TRP 337 CO -0.07 0.51 0.11 1.25 -1.05 0.00 0.00 178.44 179.19 3afl h LEU 338 N 0.93 0.22 -0.17 -4.49 5.85 -0.67 -0.85 115.31 116.13 3afl h LEU 338 Ca 0.30 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.00 3afl h LEU 338 Cb 0.02 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3afl h LEU 338 CO -0.11 0.21 -0.05 0.44 -0.34 0.00 0.00 178.44 178.59 3afl h ASP 339 N 0.22 -0.17 -0.30 1.25 3.32 -0.87 0.21 116.42 120.07 3afl h ASP 339 Ca 0.07 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.24 3afl h ASP 339 Cb 0.03 0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.61 3afl h ASP 339 CO -0.01 -0.06 -0.33 0.22 -1.72 0.00 0.00 179.24 177.34 3afl h TYR 340 N -0.01 -0.90 -0.39 4.55 3.20 -1.16 0.16 116.97 122.42 3afl h TYR 340 Ca 0.08 0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.05 3afl h TYR 340 Cb 0.14 0.44 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 3afl h TYR 340 CO -0.20 -0.39 0.14 1.15 -1.64 0.00 0.00 178.16 177.22 3afl h THR 341 N -0.31 0.89 -0.14 1.81 2.02 0.20 0.41 112.91 117.80 3afl h THR 341 Ca 0.14 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 3afl h THR 341 Cb 0.54 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3afl h THR 341 CO -0.47 0.05 -0.10 0.58 0.37 0.00 0.00 175.52 175.96 3afl h VAL 342 N 0.30 1.33 -0.46 3.16 2.07 -0.45 -2.34 116.25 119.86 3afl h VAL 342 Ca 0.18 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 3afl h VAL 342 Cb 0.15 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3afl h VAL 342 CO -0.18 0.35 0.17 -0.33 0.02 0.00 0.00 177.57 177.60 3afl h GLU 343 N -0.05 0.66 -0.08 1.57 5.08 -0.34 -1.25 114.58 120.17 3afl h GLU 343 Ca 0.03 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3afl h GLU 343 Cb 0.59 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3afl h GLU 343 CO 0.03 0.56 0.00 0.35 -1.00 0.00 0.00 179.01 178.95 3afl h PHE 344 N 0.66 0.16 -0.71 4.33 3.57 -0.16 -1.11 116.94 123.68 3afl h PHE 344 Ca 0.16 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3afl h PHE 344 Cb 0.16 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3afl h PHE 344 CO 0.01 0.41 0.36 -0.07 -2.23 0.00 0.00 178.31 176.78 3afl h LEU 345 N -0.14 0.89 -0.67 0.59 3.38 -1.11 0.24 115.31 118.49 3afl h LEU 345 Ca 0.02 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 3afl h LEU 345 Cb 0.34 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3afl h LEU 345 CO 0.00 0.74 -0.64 0.00 0.09 0.00 0.00 178.44 178.64 3afl h ALA 346 N 1.40 0.89 0.00 1.53 0.00 -1.21 -3.36 119.26 118.51 3afl h ALA 346 Ca 0.25 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 3afl h ALA 346 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3afl h ALA 346 CO -0.04 0.78 -1.38 2.41 0.00 0.00 0.00 179.25 181.02 3afl n THR 347 N -3.81 1.09 -0.03 0.00 -1.04 -0.42 -4.86 114.28 105.20 3afl n THR 347 Ca -0.02 -0.04 0.05 0.00 -2.04 0.00 0.00 64.05 62.00 3afl n THR 347 Cb 0.64 -1.84 -0.15 0.00 -1.82 0.00 0.00 70.33 67.16 3afl n THR 347 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3afl n LEU 348 N -3.86 0.00 -4.72 -4.42 4.77 0.67 -4.88 117.00 104.56 3afl n LEU 348 Ca -0.22 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.34 3afl n LEU 348 Cb 0.56 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 3afl n LEU 348 CO 0.06 0.12 1.23 -0.47 -1.33 0.00 0.00 177.39 177.00 3afl s TYR 349 N -3.09 3.06 0.07 -1.77 5.04 -0.27 -3.83 117.35 116.55 3afl s TYR 349 Ca -0.07 0.63 0.09 0.00 -2.44 0.00 0.00 57.07 55.27 3afl s TYR 349 Cb 0.10 -3.93 -0.03 0.00 0.35 0.00 0.00 41.96 38.45 3afl s TYR 349 CO 0.78 -3.43 -0.24 0.45 -1.34 0.00 0.00 175.55 171.78 3afl s SER 350 N 1.13 2.87 0.56 4.32 0.15 -1.26 -4.88 113.70 116.58 3afl s SER 350 Ca 0.70 -0.60 0.34 0.00 0.70 0.00 0.00 55.95 57.09 3afl s SER 350 Cb -0.44 -0.23 1.44 0.00 -1.71 0.00 0.00 66.02 65.08 3afl s SER 350 CO 0.31 0.19 2.01 1.55 1.20 0.00 0.00 173.24 178.50 3afl h PRO 351 N 4.58 0.00 -0.07 5.44 0.13 -1.90 -2.93 132.00 137.25 3afl h PRO 351 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3afl h PRO 351 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3afl h PRO 351 CO 0.42 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.10 3afl n TRP 352 N -3.09 0.09 -3.79 1.56 7.02 -1.26 -4.91 117.44 113.06 3afl n TRP 352 Ca 0.00 -0.04 -0.11 0.00 -1.02 0.00 0.00 57.50 56.33 3afl n TRP 352 Cb 0.29 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.10 3afl n TRP 352 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3afl s ALA 353 N -1.91 -0.55 0.54 6.99 0.00 -1.11 -0.30 121.76 125.41 3afl s ALA 353 Ca 0.33 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.22 3afl s ALA 353 Cb 0.16 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.60 3afl s ALA 353 CO 0.26 -0.39 0.26 0.20 0.00 0.00 0.00 175.76 176.10 3afl s GLY 354 N -2.05 2.62 0.00 0.00 0.00 -1.26 -4.62 107.32 102.02 3afl s GLY 354 Ca -0.05 -0.90 0.14 0.00 0.00 0.00 0.00 44.72 43.91 3afl s GLY 354 CO -0.03 -2.04 1.31 -1.30 0.00 0.00 0.00 173.10 171.04 3afl n THR 355 N -1.59 0.41 0.30 0.90 -2.24 -1.26 -2.71 114.28 108.08 3afl n THR 355 Ca -0.08 0.10 0.16 0.00 -2.27 0.00 0.00 64.05 61.96 3afl n THR 355 Cb 0.65 -0.88 0.77 0.00 -2.10 0.00 0.00 70.33 68.77 3afl n THR 355 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3afl h ASP 356 N 0.00 0.00 0.00 3.42 -0.00 -1.92 -3.36 116.42 114.56 3afl h ASP 356 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3afl h ASP 356 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.41 3afl h ASP 356 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.85 3afl n GLY 357 N -0.58 1.11 3.77 7.15 0.00 -1.10 -4.72 105.19 110.82 3afl n GLY 357 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3afl n GLY 357 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3afl s GLY 358 N -2.31 1.89 -0.23 -0.02 0.00 -1.26 -4.37 107.32 101.02 3afl s GLY 358 Ca 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 44.72 45.10 3afl s GLY 358 CO 0.00 0.75 0.06 0.86 0.00 0.00 0.00 173.10 174.77 3afl s TRP 359 N -2.65 1.11 0.58 1.90 -0.11 -1.26 -4.25 118.94 114.25 3afl s TRP 359 Ca 0.64 -1.04 0.27 0.00 1.22 0.00 0.00 56.10 57.19 3afl s TRP 359 Cb -0.19 -1.16 1.63 0.00 -1.50 0.00 0.00 33.47 32.25 3afl s TRP 359 CO 0.50 -0.68 2.14 0.00 -4.62 0.00 0.00 176.95 174.28 3afl h ALA 360 N 8.23 1.82 0.00 5.86 0.00 -1.05 0.11 119.26 134.23 3afl h ALA 360 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3afl h ALA 360 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3afl h ALA 360 CO 0.37 -0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.80 3afl n GLU 361 N -3.96 0.05 0.00 0.00 -0.58 -1.26 -4.61 120.64 110.28 3afl n GLU 361 Ca 0.00 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 3afl n GLU 361 Cb 0.26 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 3afl n GLU 361 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3afl n GLY 362 N 0.34 0.98 0.31 0.62 0.00 0.38 -4.42 105.19 103.41 3afl n GLY 362 Ca 0.05 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 3afl n GLY 362 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3afl h PRO 363 N 0.00 0.95 -0.70 1.61 0.13 -1.78 -1.26 132.00 130.95 3afl h PRO 363 Ca 0.00 -0.20 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3afl h PRO 363 Cb 0.00 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 30.96 3afl h PRO 363 CO 0.00 0.84 0.43 1.25 -0.23 0.00 0.00 178.00 180.29 3afl h HIS 364 N 0.91 0.91 -0.29 1.56 -0.00 -1.86 0.32 115.15 116.69 3afl h HIS 364 Ca 0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.44 3afl h HIS 364 Cb 0.31 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 3afl h HIS 364 CO 0.02 0.60 -0.34 1.88 -0.00 0.00 0.00 177.93 180.10 3afl h TYR 365 N 0.95 0.75 -0.97 5.26 -1.99 -1.75 -2.58 116.97 116.64 3afl h TYR 365 Ca 0.25 -0.20 0.18 0.00 2.00 0.00 0.00 58.73 60.96 3afl h TYR 365 Cb -0.05 -0.17 -0.10 0.00 2.00 0.00 0.00 36.73 38.41 3afl h TYR 365 CO -0.02 0.89 0.57 2.35 -0.00 0.00 0.00 178.16 181.95 3afl h TRP 366 N 0.54 0.99 0.05 4.88 7.01 0.09 0.14 115.95 129.65 3afl h TRP 366 Ca 0.06 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.12 3afl h TRP 366 Cb 0.84 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 27.56 3afl h TRP 366 CO 0.04 0.22 -0.29 1.98 -2.79 0.00 0.00 178.44 177.60 3afl h MET 367 N 0.73 -0.45 0.17 2.65 4.05 -0.02 -1.04 114.93 121.02 3afl h MET 367 Ca 0.55 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 60.00 3afl h MET 367 Cb 0.85 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 3afl h MET 367 CO -0.38 -0.30 -0.08 1.79 0.23 0.00 0.00 176.91 178.17 3afl h THR 368 N -0.46 0.92 -0.81 -0.77 1.35 -1.36 -1.37 112.91 110.40 3afl h THR 368 Ca 0.05 -0.97 0.17 0.00 -0.55 0.00 0.00 66.41 65.11 3afl h THR 368 Cb 0.52 1.46 -0.11 0.00 -1.73 0.00 0.00 68.15 68.30 3afl h THR 368 CO -0.21 0.21 0.32 1.23 -0.25 0.00 0.00 175.52 176.82 3afl h GLY 369 N -0.75 1.28 0.41 5.82 0.00 -0.77 -2.03 103.07 107.04 3afl h GLY 369 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3afl h GLY 369 CO 0.04 -0.17 -0.04 -0.33 0.00 0.00 0.00 176.54 176.03 3afl h MET 370 N 0.41 0.05 -0.91 4.80 2.86 -1.24 -2.42 114.93 118.49 3afl h MET 370 Ca 0.47 -0.04 0.18 0.00 -2.06 0.00 0.00 59.70 58.25 3afl h MET 370 Cb 0.80 0.01 -0.17 0.00 0.06 0.00 0.00 31.60 32.29 3afl h MET 370 CO -0.47 0.68 -0.25 0.00 1.06 0.00 0.00 176.91 177.94 3afl n ALA 371 N -2.43 0.17 -0.01 6.32 0.00 -0.52 0.26 120.51 124.29 3afl n ALA 371 Ca -0.09 0.98 -0.17 0.00 0.00 0.00 0.00 53.44 54.17 3afl n ALA 371 Cb 0.34 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 3afl n ALA 371 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3afl h TYR 372 N 0.00 0.61 -0.39 0.00 0.05 -1.52 -2.97 116.97 112.75 3afl h TYR 372 Ca 0.42 -0.30 0.05 0.00 0.05 0.00 0.00 58.73 58.94 3afl h TYR 372 Cb 0.64 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.26 3afl h TYR 372 CO -0.71 1.09 0.13 1.25 -1.05 0.00 0.00 178.16 178.87 3afl h LEU 373 N -0.04 0.13 -0.50 3.88 5.85 -0.44 -0.55 115.31 123.65 3afl h LEU 373 Ca -0.05 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3afl h LEU 373 Cb 1.20 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.16 3afl h LEU 373 CO 0.10 0.11 -0.31 0.40 -0.34 0.00 0.00 178.44 178.41 3afl h ILE 374 N 0.28 0.23 -0.16 4.05 2.04 -0.25 1.94 117.51 125.63 3afl h ILE 374 Ca 0.18 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.09 3afl h ILE 374 Cb 0.17 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 3afl h ILE 374 CO -0.19 0.00 -0.37 -0.33 0.00 0.00 0.00 178.15 177.26 3afl h GLU 375 N -0.19 -0.41 -0.41 2.37 5.08 -1.16 0.46 114.58 120.32 3afl h GLU 375 Ca 0.21 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 3afl h GLU 375 Cb 0.53 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3afl h GLU 375 CO -0.60 -0.27 0.08 0.00 -1.00 0.00 0.00 179.01 177.22 3afl h ALA 376 N 0.31 0.54 -0.62 3.43 0.00 0.13 0.11 119.26 123.16 3afl h ALA 376 Ca 0.09 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.91 3afl h ALA 376 Cb 0.59 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 3afl h ALA 376 CO -0.40 0.24 0.18 0.00 0.00 0.00 0.00 179.25 179.27 3afl h ALA 377 N 0.94 0.78 0.71 0.00 0.00 0.34 0.20 119.26 122.23 3afl h ALA 377 Ca 0.13 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3afl h ALA 377 Cb 0.34 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3afl h ALA 377 CO 0.00 -0.26 -0.34 -0.91 0.00 0.00 0.00 179.25 177.74 3afl h ASN 378 N 0.33 -0.81 -0.63 0.00 2.35 0.55 -1.31 115.58 116.06 3afl h ASN 378 Ca 0.33 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 56.21 3afl h ASN 378 Cb 0.46 0.21 -0.11 0.00 0.05 0.00 0.00 38.32 38.93 3afl h ASN 378 CO -0.37 -0.46 -0.10 -0.07 -1.65 0.00 0.00 177.43 174.79 3afl h LEU 379 N -1.17 -0.47 -0.34 1.61 3.38 -0.69 0.80 115.31 118.44 3afl h LEU 379 Ca -0.10 0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3afl h LEU 379 Cb 0.75 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 3afl h LEU 379 CO 0.16 -0.18 0.12 0.40 0.09 0.00 0.00 178.44 179.03 3afl h ILE 380 N 0.04 0.91 -0.78 1.22 2.04 -0.95 0.44 117.51 120.43 3afl h ILE 380 Ca 0.31 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 66.15 3afl h ILE 380 Cb 0.50 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 3afl h ILE 380 CO -0.61 0.05 0.46 -0.09 0.00 0.00 0.00 178.15 177.96 3afl h ARG 381 N 0.26 0.80 0.00 2.37 2.43 0.04 -1.14 114.38 119.15 3afl h ARG 381 Ca 0.15 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 3afl h ARG 381 Cb 0.12 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3afl h ARG 381 CO -0.16 0.53 -0.69 1.03 -1.51 0.00 0.00 179.97 179.17 3afl h SER 382 N 0.83 0.00 0.24 -3.80 0.87 0.13 0.30 113.55 112.11 3afl h SER 382 Ca 0.35 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.57 3afl h SER 382 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3afl h SER 382 CO -0.20 0.69 -1.75 0.22 -0.53 0.00 0.00 176.83 175.27 3afl h TYR 383 N 0.00 0.62 0.00 2.24 3.20 0.20 -3.43 116.97 119.81 3afl h TYR 383 Ca -0.01 -0.46 0.00 0.00 3.14 0.00 0.00 58.73 61.41 3afl h TYR 383 Cb 1.40 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.65 3afl h TYR 383 CO 0.00 1.62 0.00 0.44 -1.64 0.00 0.00 178.16 178.58 3afl n ILE 384 N -3.54 0.01 0.00 1.81 -6.64 -0.46 -4.03 119.36 106.51 3afl n ILE 384 Ca -0.24 -0.13 0.00 0.00 -1.77 0.00 0.00 62.75 60.61 3afl n ILE 384 Cb 1.07 1.72 0.00 0.00 -1.44 0.00 0.00 39.64 40.99 3afl n ILE 384 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3afl n GLY 385 N -0.00 2.19 3.72 3.28 0.00 0.09 -4.88 105.19 109.59 3afl n GLY 385 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3afl n GLY 385 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3afl s TYR 386 N -2.67 3.41 -0.37 1.61 5.04 -1.26 -4.85 117.35 118.26 3afl s TYR 386 Ca 0.00 1.28 -0.03 0.00 -2.44 0.00 0.00 57.07 55.87 3afl s TYR 386 Cb 0.00 -3.46 0.08 0.00 0.35 0.00 0.00 41.96 38.94 3afl s TYR 386 CO 0.00 -1.41 0.14 0.34 -1.34 0.00 0.00 175.55 173.28 3afl s ASP 387 N 0.88 5.19 0.50 4.32 2.15 -1.26 -3.06 116.67 125.39 3afl s ASP 387 Ca 0.58 -1.65 0.29 0.00 0.43 0.00 0.00 52.55 52.20 3afl s ASP 387 Cb -0.31 -1.81 1.13 0.00 -0.30 0.00 0.00 42.92 41.63 3afl s ASP 387 CO 0.31 -0.43 1.90 -0.07 -0.17 0.00 0.00 175.17 176.71 3afl h LEU 388 N 8.08 0.00 -2.64 -1.34 3.38 -1.95 -3.19 115.31 117.65 3afl h LEU 388 Ca -0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3afl h LEU 388 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3afl h LEU 388 CO 0.64 0.08 -0.01 1.88 0.09 0.00 0.00 178.44 181.13 3afl h TYR 389 N 0.00 0.00 0.00 1.13 0.05 -1.93 -2.27 116.97 113.95 3afl h TYR 389 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3afl h TYR 389 Cb 0.63 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.37 3afl h TYR 389 CO 0.00 0.01 0.00 1.04 -1.05 0.00 0.00 178.16 178.16 3afl n GLN 390 N -3.41 0.16 -2.46 4.88 6.02 -1.21 -3.99 117.38 117.37 3afl n GLN 390 Ca -0.03 0.12 -0.42 0.00 -0.01 0.00 0.00 57.00 56.67 3afl n GLN 390 Cb 0.10 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 3afl n GLN 390 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3afl s ARG 391 N -2.77 4.49 0.29 -1.09 0.52 -0.86 -4.88 118.95 114.66 3afl s ARG 391 Ca 0.15 1.75 0.02 0.00 -0.52 0.00 0.00 55.73 57.13 3afl s ARG 391 Cb 0.13 -3.32 0.73 0.00 0.52 0.00 0.00 34.95 33.02 3afl s ARG 391 CO 0.33 -0.12 1.62 -1.35 0.02 0.00 0.00 175.30 175.80 3afl h PRO 392 N 6.08 0.12 -0.74 3.54 0.11 -1.90 0.89 132.00 140.11 3afl h PRO 392 Ca -0.43 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.78 3afl h PRO 392 Cb 1.21 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 3afl h PRO 392 CO 0.77 0.08 0.35 0.35 -0.21 0.00 0.00 178.00 179.35 3afl h PHE 393 N 0.13 0.63 -0.01 0.65 3.57 -1.88 -1.02 116.94 119.01 3afl h PHE 393 Ca 0.57 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.92 3afl h PHE 393 Cb 1.18 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 3afl h PHE 393 CO -0.33 0.19 -0.80 0.74 -2.23 0.00 0.00 178.31 175.88 3afl h PHE 394 N 0.58 0.19 -0.88 0.41 0.04 -1.11 0.14 116.94 116.30 3afl h PHE 394 Ca 0.38 -0.10 0.12 0.00 2.80 0.00 0.00 57.97 61.17 3afl h PHE 394 Cb 0.45 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.49 3afl h PHE 394 CO -0.12 0.87 0.50 1.96 -0.60 0.00 0.00 178.31 180.92 3afl h GLN 395 N 0.08 0.76 0.00 1.51 1.08 -0.76 -3.27 115.11 114.50 3afl h GLN 395 Ca -0.03 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3afl h GLN 395 Cb 1.39 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 3afl h GLN 395 CO 0.12 0.50 -1.77 0.09 -0.95 0.00 0.00 178.83 176.82 3afl n ASN 396 N -4.76 0.20 0.23 1.46 4.13 -0.49 -4.56 115.26 111.48 3afl n ASN 396 Ca 0.16 -0.06 0.16 0.00 1.68 0.00 0.00 54.58 56.52 3afl n ASN 396 Cb 0.35 1.70 0.63 0.00 -1.54 0.00 0.00 39.78 40.93 3afl n ASN 396 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3afl h THR 397 N 0.00 0.00 -0.08 3.41 1.03 -0.79 -2.29 112.91 114.18 3afl h THR 397 Ca 0.00 -0.42 0.02 0.00 -0.01 0.00 0.00 66.41 66.01 3afl h THR 397 Cb 0.95 1.33 -0.00 0.00 -1.07 0.00 0.00 68.15 69.35 3afl h THR 397 CO 0.00 0.00 0.06 1.23 -0.01 0.00 0.00 175.52 176.80 3afl h GLY 398 N 2.08 0.00 2.00 2.99 0.00 -1.80 -1.68 103.07 106.66 3afl h GLY 398 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3afl h GLY 398 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 3afl n ARG 399 N -4.51 0.19 0.28 4.80 1.85 -0.86 -3.80 116.66 114.61 3afl n ARG 399 Ca -0.01 0.30 -0.15 0.00 -1.00 0.00 0.00 57.85 56.99 3afl n ARG 399 Cb 0.17 -1.80 -0.08 0.00 -1.05 0.00 0.00 32.46 29.70 3afl n ARG 399 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 3afl h PHE 400 N 0.00 -0.67 0.00 2.89 3.57 -1.49 -2.37 116.94 118.87 3afl h PHE 400 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3afl h PHE 400 Cb 0.51 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.47 3afl h PHE 400 CO 0.00 -0.35 0.00 -1.00 -2.23 0.00 0.00 178.31 174.73 3afl h PRO 401 N -0.97 0.00 -0.56 6.41 0.13 -1.75 -2.23 132.00 133.05 3afl h PRO 401 Ca -0.07 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.95 3afl h PRO 401 Cb 0.63 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 3afl h PRO 401 CO 0.12 0.00 -0.05 1.25 -0.23 0.00 0.00 178.00 179.09 3afl h LEU 402 N 0.00 1.01 -0.19 1.56 5.85 -1.58 0.24 115.31 122.21 3afl h LEU 402 Ca 0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3afl h LEU 402 Cb 0.27 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3afl h LEU 402 CO 0.00 1.10 -0.68 -1.22 -0.34 0.00 0.00 178.44 177.30 3afl n TYR 403 N -4.19 0.00 0.00 1.25 4.02 -0.92 -4.02 117.16 113.29 3afl n TYR 403 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3afl n TYR 403 Cb 0.37 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 3afl n TYR 403 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3afl n THR 404 N -1.21 0.00 -2.71 -0.72 -2.24 -0.87 -4.76 114.28 101.79 3afl n THR 404 Ca 0.06 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 3afl n THR 404 Cb 0.35 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3afl n THR 404 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3afl n LYS 405 N -1.56 2.40 -2.21 -0.78 4.76 0.84 -4.44 118.16 117.16 3afl n LYS 405 Ca 0.00 -4.05 -0.35 0.00 -2.87 0.00 0.00 58.31 51.04 3afl n LYS 405 Cb 0.23 -1.88 0.01 0.00 -1.84 0.00 0.00 35.03 31.55 3afl n LYS 405 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3afl s ALA 406 N -3.26 2.67 0.27 7.82 0.00 -1.20 -4.75 121.76 123.32 3afl s ALA 406 Ca 0.41 0.81 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 3afl s ALA 406 Cb 0.39 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 20.00 3afl s ALA 406 CO -0.10 -0.82 0.88 -2.30 0.00 0.00 0.00 175.76 173.42 3afl n PRO 407 N -1.39 0.99 0.00 0.00 -0.02 -1.26 -1.84 135.00 131.48 3afl n PRO 407 Ca 0.12 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3afl n PRO 407 Cb 0.51 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3afl n PRO 407 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3afl n GLY 408 N 1.43 3.11 3.72 -1.23 0.00 -1.26 -5.03 105.19 105.93 3afl n GLY 408 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3afl n GLY 408 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3afl s THR 409 N -1.73 4.54 -0.09 2.61 -4.23 -0.77 -4.94 115.64 111.03 3afl s THR 409 Ca 0.00 1.96 0.08 0.00 -1.18 0.00 0.00 61.69 62.55 3afl s THR 409 Cb 0.00 -4.25 -0.11 0.00 1.34 0.00 0.00 72.50 69.47 3afl s THR 409 CO 0.00 0.23 0.03 0.54 -0.54 0.00 0.00 174.62 174.88 3afl n ARG 410 N 3.32 2.44 -1.60 3.99 1.74 -1.26 -3.73 116.66 121.56 3afl n ARG 410 Ca 0.05 -0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.14 3afl n ARG 410 Cb 0.49 -1.24 0.01 0.00 -1.02 0.00 0.00 32.46 30.71 3afl n ARG 410 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3afl n ARG 411 N -2.35 0.21 -2.31 5.56 1.74 -1.26 -2.51 116.66 115.74 3afl n ARG 411 Ca -0.15 -2.01 -0.30 0.00 -0.77 0.00 0.00 57.85 54.62 3afl n ARG 411 Cb 0.80 -0.09 0.01 0.00 -1.02 0.00 0.00 32.46 32.16 3afl n ARG 411 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3afl n ALA 412 N 0.27 5.46 -3.00 7.54 0.00 -1.26 -1.24 120.51 128.28 3afl n ALA 412 Ca 0.01 -4.25 0.00 0.00 0.00 0.00 0.00 53.44 49.20 3afl n ALA 412 Cb 1.05 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3afl n ALA 412 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3afl n ASN 413 N -0.51 0.00 -4.11 0.00 0.23 -1.26 -4.76 115.26 104.85 3afl n ASN 413 Ca 0.43 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 54.40 3afl n ASN 413 Cb 0.56 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.16 3afl n ASN 413 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 3afl s PHE 414 N -0.74 0.65 0.00 -2.53 0.08 -1.26 -4.78 117.98 109.39 3afl s PHE 414 Ca 0.00 -1.10 0.00 0.00 0.12 0.00 0.00 56.93 55.95 3afl s PHE 414 Cb 0.00 -0.43 0.00 0.00 -0.57 0.00 0.00 43.02 42.02 3afl s PHE 414 CO 0.00 -0.39 0.00 0.41 -0.10 0.00 0.00 175.22 175.14 3afl n GLY 415 N 0.04 -0.51 3.60 4.36 0.00 -1.26 -4.40 105.19 107.02 3afl n GLY 415 Ca -0.12 -1.71 -0.51 0.00 0.00 0.00 0.00 46.02 43.69 3afl n GLY 415 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3afl n ASP 416 N -1.38 1.89 -3.48 1.61 10.43 -0.77 -4.97 116.55 119.88 3afl n ASP 416 Ca 0.00 1.11 -0.20 0.00 2.57 0.00 0.00 54.79 58.28 3afl n ASP 416 Cb 0.00 -1.24 -0.13 0.00 1.84 0.00 0.00 41.12 41.60 3afl n ASP 416 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3afl s ASP 417 N 0.52 1.77 0.49 -2.24 2.15 -1.26 -4.47 116.67 113.63 3afl s ASP 417 Ca 0.83 -0.51 0.19 0.00 0.43 0.00 0.00 52.55 53.49 3afl s ASP 417 Cb -0.90 0.29 1.24 0.00 -0.30 0.00 0.00 42.92 43.25 3afl s ASP 417 CO 0.46 -0.36 2.01 -1.28 -0.17 0.00 0.00 175.17 175.83 3afl h SER 418 N 8.32 0.14 0.74 -0.34 0.87 -1.95 -1.94 113.55 119.39 3afl h SER 418 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3afl h SER 418 Cb 1.12 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 3afl h SER 418 CO 0.32 0.08 -0.59 0.35 -0.53 0.00 0.00 176.83 176.46 3afl n THR 419 N -4.44 0.23 -0.58 2.23 -2.24 -1.26 -4.76 114.28 103.46 3afl n THR 419 Ca 0.08 -0.18 -0.26 0.00 -2.27 0.00 0.00 64.05 61.42 3afl n THR 419 Cb 0.44 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.60 3afl n THR 419 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3afl n LEU 420 N -1.91 0.36 0.00 3.22 7.94 -0.73 -1.17 117.00 124.72 3afl n LEU 420 Ca 0.04 0.34 0.00 0.00 -1.11 0.00 0.00 56.01 55.28 3afl n LEU 420 Cb 0.41 -0.37 0.00 0.00 0.53 0.00 0.00 43.42 43.99 3afl n LEU 420 CO 0.36 -0.33 0.00 0.61 -1.11 0.00 0.00 177.39 176.92 3afl n GLY 421 N 2.70 1.67 3.82 -3.96 0.00 -1.04 -4.70 105.19 103.67 3afl n GLY 421 Ca 0.20 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3afl n GLY 421 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3afl s ASP 422 N -0.12 4.77 0.71 1.61 1.11 -0.31 -4.80 116.67 119.64 3afl s ASP 422 Ca 0.00 1.35 -0.16 0.00 0.18 0.00 0.00 52.55 53.92 3afl s ASP 422 Cb 0.00 -2.12 0.03 0.00 1.07 0.00 0.00 42.92 41.90 3afl s ASP 422 CO 0.00 -1.80 1.26 -0.76 1.18 0.00 0.00 175.17 175.05 3afl s LEU 423 N -5.69 3.40 0.17 1.23 1.43 -1.26 -4.46 118.68 113.50 3afl s LEU 423 Ca 0.60 2.53 -0.32 0.00 -1.03 0.00 0.00 54.13 55.90 3afl s LEU 423 Cb -0.14 -4.61 -0.16 0.00 0.03 0.00 0.00 46.19 41.31 3afl s LEU 423 CO 0.54 -2.28 1.01 -2.65 0.23 0.00 0.00 176.35 173.20 3afl n PRO 424 N -2.47 0.81 -2.02 1.29 -0.02 -1.24 -4.87 135.00 126.48 3afl n PRO 424 Ca 0.15 0.29 -0.37 0.00 -2.02 0.00 0.00 63.50 61.55 3afl n PRO 424 Cb 0.49 -1.67 0.03 0.00 -0.02 0.00 0.00 33.50 32.32 3afl n PRO 424 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3afl s GLY 425 N -0.27 2.77 0.25 -1.23 0.00 -1.26 -4.86 107.32 102.72 3afl s GLY 425 Ca 0.72 1.05 -0.04 0.00 0.00 0.00 0.00 44.72 46.46 3afl s GLY 425 CO 0.55 1.47 1.69 1.41 0.00 0.00 0.00 173.10 178.23 3afl h LEU 426 N 1.19 0.11 -2.00 0.66 3.38 -1.89 -2.06 115.31 114.70 3afl h LEU 426 Ca -0.50 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 3afl h LEU 426 Cb 1.29 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 3afl h LEU 426 CO 0.56 -0.01 -0.08 0.50 0.09 0.00 0.00 178.44 179.51 3afl h LYS 427 N 0.32 0.00 -0.31 1.13 1.63 -1.96 0.58 116.57 117.96 3afl h LYS 427 Ca 0.44 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.25 3afl h LYS 427 Cb 0.74 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 3afl h LYS 427 CO -0.49 0.08 0.16 -0.07 -3.45 0.00 0.00 179.45 175.67 3afl h LEU 428 N 0.00 0.25 0.29 5.20 3.38 -1.73 0.63 115.31 123.33 3afl h LEU 428 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3afl h LEU 428 Cb 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3afl h LEU 428 CO 0.01 0.18 -0.28 1.23 0.09 0.00 0.00 178.44 179.67 3afl h GLY 429 N 0.34 -0.64 1.21 0.83 0.00 -1.00 -1.24 103.07 102.57 3afl h GLY 429 Ca 0.13 0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.82 3afl h GLY 429 CO -0.08 -0.25 0.43 -0.97 0.00 0.00 0.00 176.54 175.67 3afl h TYR 430 N -0.60 0.73 0.33 5.60 -1.99 -0.81 0.52 116.97 120.75 3afl h TYR 430 Ca -0.01 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 3afl h TYR 430 Cb 0.55 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 39.04 3afl h TYR 430 CO -0.17 0.42 -0.16 -0.91 -0.00 0.00 0.00 178.16 177.34 3afl h ASN 431 N 0.75 -0.37 -0.76 3.88 4.21 0.44 -2.89 115.58 120.85 3afl h ASN 431 Ca 0.27 -0.14 0.11 0.00 1.21 0.00 0.00 56.30 57.75 3afl h ASN 431 Cb 0.12 0.10 -0.08 0.00 -1.12 0.00 0.00 38.32 37.33 3afl h ASN 431 CO -0.08 -0.05 0.37 0.58 -1.29 0.00 0.00 177.43 176.96 3afl h VAL 432 N -0.71 0.80 -0.78 2.81 2.07 -0.41 -0.19 116.25 119.85 3afl h VAL 432 Ca -0.04 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.35 3afl h VAL 432 Cb 0.49 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 3afl h VAL 432 CO 0.07 0.11 0.51 -0.09 0.02 0.00 0.00 177.57 178.19 3afl h ARG 433 N 0.60 0.74 -0.79 1.57 2.43 -0.90 0.53 114.38 118.55 3afl h ARG 433 Ca 0.39 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 3afl h ARG 433 Cb 0.47 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 3afl h ARG 433 CO -0.31 0.49 0.46 0.37 -1.51 0.00 0.00 179.97 179.47 3afl h GLN 434 N 0.76 1.08 0.00 0.20 5.75 -0.82 0.24 115.11 122.32 3afl h GLN 434 Ca 0.35 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.62 3afl h GLN 434 Cb 0.36 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 3afl h GLN 434 CO -0.13 0.78 -0.54 0.74 -2.65 0.00 0.00 178.83 177.03 3afl h PHE 435 N 1.09 0.00 0.66 3.99 0.04 -0.21 -1.14 116.94 121.37 3afl h PHE 435 Ca 0.28 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.02 3afl h PHE 435 Cb -0.01 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.15 3afl h PHE 435 CO -0.00 0.54 -0.32 0.00 -0.60 0.00 0.00 178.31 177.93 3afl h ALA 436 N 1.46 -0.89 -0.93 2.45 0.00 0.54 0.96 119.26 122.84 3afl h ALA 436 Ca -0.01 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 54.91 3afl h ALA 436 Cb 1.17 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.23 3afl h ALA 436 CO 0.07 -1.00 0.60 0.78 0.00 0.00 0.00 179.25 179.71 3afl h GLY 437 N -0.89 1.12 1.35 0.00 0.00 -0.26 0.80 103.07 105.20 3afl h GLY 437 Ca -0.09 -0.24 -0.32 0.00 0.00 0.00 0.00 47.33 46.68 3afl h GLY 437 CO 0.15 -0.01 -1.43 -2.08 0.00 0.00 0.00 176.54 173.17 3afl h VAL 438 N 0.52 1.33 0.00 4.60 2.07 -0.99 -3.39 116.25 120.39 3afl h VAL 438 Ca 0.50 -2.80 -0.26 0.00 0.82 0.00 0.00 66.70 64.96 3afl h VAL 438 Cb 1.08 3.00 -0.05 0.00 -1.52 0.00 0.00 31.29 33.81 3afl h VAL 438 CO -0.23 0.84 -1.83 0.35 0.02 0.00 0.00 177.57 176.71 3afl n THR 439 N -3.65 1.31 -0.76 2.57 -2.24 0.31 -4.97 114.28 106.85 3afl n THR 439 Ca -0.15 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3afl n THR 439 Cb 1.08 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3afl n THR 439 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3afl n GLY 440 N 1.54 0.68 3.64 3.38 0.00 0.27 -5.02 105.19 109.68 3afl n GLY 440 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3afl n GLY 440 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3afl s ASN 441 N -2.23 6.79 0.39 1.61 3.84 -1.22 -4.92 114.94 119.19 3afl s ASN 441 Ca 0.00 1.25 0.19 0.00 0.21 0.00 0.00 52.86 54.50 3afl s ASN 441 Cb 0.00 -2.54 0.78 0.00 -0.55 0.00 0.00 41.25 38.94 3afl s ASN 441 CO 0.00 -0.97 1.79 1.23 -2.79 0.00 0.00 177.10 176.36 3afl h GLY 442 N 10.46 0.00 1.58 1.21 0.00 -1.92 -2.81 103.07 111.60 3afl h GLY 442 Ca -0.25 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3afl h GLY 442 CO 1.02 0.00 0.17 0.45 0.00 0.00 0.00 176.54 178.18 3afl h HIS 443 N 0.00 0.54 -0.33 5.60 3.86 -1.87 0.13 115.15 123.09 3afl h HIS 443 Ca -0.00 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 3afl h HIS 443 Cb 0.79 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 3afl h HIS 443 CO 0.00 0.42 0.07 1.88 0.86 0.00 0.00 177.93 181.16 3afl h TYR 444 N 0.55 0.57 -0.37 2.45 0.05 -1.85 -1.14 116.97 117.24 3afl h TYR 444 Ca 0.14 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 3afl h TYR 444 Cb 0.09 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 3afl h TYR 444 CO 0.00 0.60 -0.01 0.37 -1.05 0.00 0.00 178.16 178.07 3afl h GLN 445 N 0.38 0.58 -0.09 4.88 5.75 -1.38 -1.44 115.11 123.79 3afl h GLN 445 Ca 0.10 -0.13 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 3afl h GLN 445 Cb 0.32 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 3afl h GLN 445 CO 0.00 0.61 -0.05 2.35 -2.65 0.00 0.00 178.83 179.10 3afl h TRP 446 N 0.55 -0.11 -0.16 3.99 7.01 -0.48 -2.49 115.95 124.26 3afl h TRP 446 Ca 0.11 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.16 3afl h TRP 446 Cb 0.37 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.46 3afl h TRP 446 CO 0.01 -0.08 -0.04 -0.92 -2.79 0.00 0.00 178.44 174.63 3afl h TYR 447 N -0.04 -0.09 0.05 2.65 3.20 -0.38 -1.93 116.97 120.43 3afl h TYR 447 Ca 0.05 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.96 3afl h TYR 447 Cb 0.12 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 3afl h TYR 447 CO -0.16 -0.07 -0.41 0.35 -1.64 0.00 0.00 178.16 176.23 3afl h PHE 448 N -0.01 -1.15 -0.48 -3.82 3.57 -1.30 0.85 116.94 114.61 3afl h PHE 448 Ca 0.08 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.69 3afl h PHE 448 Cb 0.12 0.50 -0.10 0.00 2.79 0.00 0.00 35.95 39.26 3afl h PHE 448 CO -0.19 -0.50 -0.42 -0.44 -2.23 0.00 0.00 178.31 174.53 3afl h ASP 449 N -0.59 -1.42 0.04 0.41 3.32 -1.13 0.23 116.42 117.27 3afl h ASP 449 Ca 0.04 0.23 -0.15 0.00 0.02 0.00 0.00 57.03 57.16 3afl h ASP 449 Cb 0.65 0.64 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 3afl h ASP 449 CO -0.28 -0.35 -0.51 0.45 -1.72 0.00 0.00 179.24 176.83 3afl h HIS 450 N -0.28 0.65 0.20 4.55 3.86 -1.10 -1.13 115.15 121.89 3afl h HIS 450 Ca 0.16 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3afl h HIS 450 Cb 0.57 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.92 3afl h HIS 450 CO -0.65 0.93 -0.09 0.82 0.86 0.00 0.00 177.93 179.79 3afl h ILE 451 N 0.41 0.90 -0.99 2.45 1.08 -0.48 -1.99 117.51 118.89 3afl h ILE 451 Ca 0.02 -0.55 0.17 0.00 -0.39 0.00 0.00 64.86 64.10 3afl h ILE 451 Cb 1.03 1.23 -0.10 0.00 -3.07 0.00 0.00 36.82 35.91 3afl h ILE 451 CO 0.09 0.12 0.62 0.50 -0.69 0.00 0.00 178.15 178.80 3afl h LYS 452 N -0.54 0.78 0.04 2.37 3.64 -0.41 -1.25 116.57 121.21 3afl h LYS 452 Ca -0.03 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3afl h LYS 452 Cb 0.41 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3afl h LYS 452 CO 0.04 0.52 -0.02 0.00 -2.27 0.00 0.00 179.45 177.72 3afl h ALA 453 N 1.61 -0.06 0.00 5.00 0.00 -1.18 -2.87 119.26 121.77 3afl h ALA 453 Ca 0.54 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3afl h ALA 453 Cb 0.80 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3afl h ALA 453 CO -0.33 -0.23 0.00 -0.25 0.00 0.00 0.00 179.25 178.44 3afl n ASP 454 N -4.83 0.56 -0.07 0.00 9.92 -0.75 -3.02 116.55 118.35 3afl n ASP 454 Ca -0.09 0.70 0.05 0.00 -0.53 0.00 0.00 54.79 54.93 3afl n ASP 454 Cb 0.29 -0.79 0.07 0.00 -0.64 0.00 0.00 41.12 40.05 3afl n ASP 454 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3afl n ALA 455 N -1.75 2.09 -1.76 2.24 0.00 -0.52 -5.01 120.51 115.79 3afl n ALA 455 Ca 0.00 -1.84 -0.38 0.00 0.00 0.00 0.00 53.44 51.23 3afl n ALA 455 Cb 0.12 -0.23 0.01 0.00 0.00 0.00 0.00 19.45 19.34 3afl n ALA 455 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3afl s THR 456 N -1.88 2.75 0.00 0.00 -4.23 -1.09 -2.81 115.64 108.38 3afl s THR 456 Ca 0.17 0.58 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 3afl s THR 456 Cb 0.15 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.68 3afl s THR 456 CO 0.02 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3afl n GLY 457 N 0.56 0.72 0.00 3.99 0.00 -1.26 -4.92 105.19 104.28 3afl n GLY 457 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 3afl n GLY 457 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3afl n THR 458 N -2.46 0.00 0.00 2.61 -1.04 -1.12 -4.56 114.28 107.70 3afl n THR 458 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3afl n THR 458 Cb 0.00 0.63 0.01 0.00 -1.82 0.00 0.00 70.33 69.15 3afl n THR 458 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3afl n GLU 459 N -1.69 0.00 0.00 -2.82 0.00 -1.26 -0.88 120.64 113.99 3afl n GLU 459 Ca 0.01 0.49 0.12 0.00 0.00 0.00 0.00 57.16 57.77 3afl n GLU 459 Cb 0.34 -1.52 0.24 0.00 0.00 0.00 0.00 31.44 30.50 3afl n GLU 459 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 3afl n MET 460 N -1.49 1.21 -2.04 3.44 1.56 -1.26 -3.19 117.12 115.34 3afl n MET 460 Ca -0.00 -0.86 -0.37 0.00 -0.27 0.00 0.00 57.70 56.20 3afl n MET 460 Cb 0.02 -1.48 0.02 0.00 2.15 0.00 0.00 33.22 33.93 3afl n MET 460 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3afl s ALA 461 N -2.38 2.72 0.40 -5.12 0.00 -0.06 -4.65 121.76 112.66 3afl s ALA 461 Ca 0.24 1.05 0.13 0.00 0.00 0.00 0.00 51.96 53.39 3afl s ALA 461 Cb 0.19 -3.45 0.96 0.00 0.00 0.00 0.00 23.12 20.82 3afl s ALA 461 CO 0.50 -1.06 1.89 0.27 0.00 0.00 0.00 175.76 177.36 3afl h PHE 462 N 1.32 0.63 -0.08 0.00 -5.15 -1.92 0.12 116.94 111.86 3afl h PHE 462 Ca -0.50 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.29 3afl h PHE 462 Cb 1.28 -0.20 0.00 0.00 0.22 0.00 0.00 35.95 37.26 3afl h PHE 462 CO 0.48 0.22 0.00 2.48 -2.00 0.00 0.00 178.31 179.50 3afl n TYR 463 N -4.52 0.10 0.01 6.09 0.18 -1.26 -2.14 117.16 115.61 3afl n TYR 463 Ca 0.16 -0.05 -0.03 0.00 1.88 0.00 0.00 57.90 59.87 3afl n TYR 463 Cb 0.53 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.48 3afl n TYR 463 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 3afl n ASN 464 N -0.30 1.32 -0.06 9.48 3.02 0.32 -4.65 115.26 124.38 3afl n ASN 464 Ca 0.14 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 3afl n ASN 464 Cb 0.17 -0.44 0.29 0.00 -0.61 0.00 0.00 39.78 39.19 3afl n ASN 464 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3afl h TYR 465 N -0.28 0.66 0.00 3.10 3.20 -1.23 -1.03 116.97 121.38 3afl h TYR 465 Ca -0.01 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3afl h TYR 465 Cb 0.32 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3afl h TYR 465 CO -0.12 0.54 0.00 0.41 -1.64 0.00 0.00 178.16 177.35 3afl n GLY 466 N -1.07 -0.69 0.00 1.82 0.00 -0.91 -4.02 105.19 100.32 3afl n GLY 466 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3afl n GLY 466 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3afl n TRP 467 N -0.96 0.00 -3.62 1.61 7.02 -0.93 -4.79 117.44 115.77 3afl n TRP 467 Ca 0.15 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.51 3afl n TRP 467 Cb 0.07 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.91 3afl n TRP 467 CO 0.00 0.00 0.00 1.67 -2.02 0.00 0.00 177.69 177.34 3afl s TRP 468 N -1.18 -0.29 -0.28 -5.99 -2.14 -0.44 -5.09 118.94 103.54 3afl s TRP 468 Ca 0.00 0.15 -0.04 0.00 2.66 0.00 0.00 56.10 58.87 3afl s TRP 468 Cb 0.00 0.28 0.02 0.00 -3.10 0.00 0.00 33.47 30.67 3afl s TRP 468 CO 0.00 -0.65 0.01 0.34 -2.66 0.00 0.00 176.95 173.99 3afl s ASP 469 N -2.36 4.77 0.36 -2.66 -1.08 -1.26 -4.28 116.67 110.17 3afl s ASP 469 Ca -0.02 -0.85 0.14 0.00 -0.52 0.00 0.00 52.55 51.30 3afl s ASP 469 Cb 0.00 -1.77 0.69 0.00 -1.46 0.00 0.00 42.92 40.38 3afl s ASP 469 CO -0.07 -0.18 1.78 -0.07 0.52 0.00 0.00 175.17 177.16 3afl h LEU 470 N 8.12 0.00 -1.11 -1.34 3.38 -1.96 -0.55 115.31 121.85 3afl h LEU 470 Ca -0.30 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 3afl h LEU 470 Cb 1.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3afl h LEU 470 CO 0.58 0.41 -0.08 0.78 0.09 0.00 0.00 178.44 180.22 3afl h ASN 471 N 0.00 0.51 0.08 -0.43 -0.26 -1.98 0.13 115.58 113.63 3afl h ASN 471 Ca -0.00 -0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 55.61 3afl h ASN 471 Cb 0.77 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 3afl h ASN 471 CO 0.05 0.63 -0.04 0.15 -1.06 0.00 0.00 177.43 177.17 3afl h PHE 472 N 0.50 -0.10 -0.64 1.19 3.57 -1.68 -2.27 116.94 117.50 3afl h PHE 472 Ca 0.10 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.70 3afl h PHE 472 Cb 0.44 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 3afl h PHE 472 CO 0.02 0.43 0.43 -0.44 -2.23 0.00 0.00 178.31 176.52 3afl h ASP 473 N -0.75 0.39 -0.18 0.41 5.19 -1.07 -0.61 116.42 119.80 3afl h ASP 473 Ca -0.01 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3afl h ASP 473 Cb 0.58 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 3afl h ASP 473 CO 0.02 0.23 0.02 -0.78 -3.12 0.00 0.00 179.24 175.60 3afl h ASP 474 N 0.43 0.30 0.62 6.45 1.82 -0.79 -1.99 116.42 123.27 3afl h ASP 474 Ca 0.30 -0.28 -0.03 0.00 -0.39 0.00 0.00 57.03 56.62 3afl h ASP 474 Cb 0.60 -0.08 0.01 0.00 0.68 0.00 0.00 39.33 40.53 3afl h ASP 474 CO -0.09 0.51 -0.30 0.25 -1.61 0.00 0.00 179.24 178.01 3afl h LEU 475 N 0.09 -0.71 -0.66 2.28 5.85 -0.61 -1.08 115.31 120.47 3afl h LEU 475 Ca 0.05 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.92 3afl h LEU 475 Cb 0.35 0.18 -0.13 0.00 0.37 0.00 0.00 40.66 41.44 3afl h LEU 475 CO 0.01 -0.50 -0.24 0.58 -0.34 0.00 0.00 178.44 177.95 3afl h VAL 476 N -0.85 0.24 0.10 1.05 2.07 -1.20 0.10 116.25 117.76 3afl h VAL 476 Ca -0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3afl h VAL 476 Cb 0.65 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3afl h VAL 476 CO 0.14 0.00 -0.05 0.22 0.02 0.00 0.00 177.57 177.90 3afl h TYR 477 N -0.07 -0.12 0.00 1.57 3.20 -1.25 -2.15 116.97 118.15 3afl h TYR 477 Ca 0.29 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.10 3afl h TYR 477 Cb 0.53 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3afl h TYR 477 CO -0.60 -0.05 -0.30 0.00 -1.64 0.00 0.00 178.16 175.57 3afl h ARG 478 N -0.15 0.00 -0.01 1.82 3.08 -0.27 0.26 114.38 119.11 3afl h ARG 478 Ca -0.01 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.84 3afl h ARG 478 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3afl h ARG 478 CO 0.02 0.30 -0.86 1.25 -1.07 0.00 0.00 179.97 179.62 3afl h HIS 479 N 0.00 0.43 0.00 3.04 2.76 -0.96 -3.39 115.15 117.04 3afl h HIS 479 Ca -0.00 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 3afl h HIS 479 Cb 0.55 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.46 3afl h HIS 479 CO 0.00 1.02 -1.51 -0.25 -1.30 0.00 0.00 177.93 175.90 3afl n ASP 480 N -3.72 0.68 -4.16 3.26 8.00 -0.64 -5.02 116.55 114.95 3afl n ASP 480 Ca -0.05 -0.36 -0.18 0.00 0.71 0.00 0.00 54.79 54.91 3afl n ASP 480 Cb 0.79 1.55 -0.12 0.00 -0.02 0.00 0.00 41.12 43.32 3afl n ASP 480 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3afl s TYR 481 N -3.13 1.15 1.13 1.24 2.02 0.84 -5.07 117.35 115.53 3afl s TYR 481 Ca -0.02 -0.46 -0.18 0.00 -0.37 0.00 0.00 57.07 56.05 3afl s TYR 481 Cb 0.13 -0.65 0.13 0.00 -0.40 0.00 0.00 41.96 41.17 3afl s TYR 481 CO 0.80 0.04 0.17 -0.35 -1.57 0.00 0.00 175.55 174.64 3afl n PRO 482 N 1.33 -1.72 -3.03 -1.71 -0.04 -1.26 -4.71 135.00 123.86 3afl n PRO 482 Ca -0.21 -0.48 -0.33 0.00 -0.04 0.00 0.00 63.50 62.43 3afl n PRO 482 Cb 0.54 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 3afl n PRO 482 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3afl n GLN 483 N -2.52 3.78 -1.50 0.54 -0.06 -1.26 -4.89 117.38 111.46 3afl n GLN 483 Ca 0.01 -4.70 -0.41 0.00 -2.00 0.00 0.00 57.00 49.89 3afl n GLN 483 Cb 0.61 -2.35 0.01 0.00 -4.06 0.00 0.00 30.24 24.45 3afl n GLN 483 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3afl n VAL 484 N 0.45 2.05 -3.61 1.69 0.31 -1.26 -4.99 118.33 112.97 3afl n VAL 484 Ca 0.33 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.82 3afl n VAL 484 Cb 0.36 -0.72 -0.05 0.00 -0.91 0.00 0.00 33.84 32.51 3afl n VAL 484 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3afl s GLU 485 N -1.75 3.71 0.34 5.55 0.41 -1.26 -5.00 118.70 120.70 3afl s GLU 485 Ca 0.64 0.09 -0.27 0.00 -0.41 0.00 0.00 54.97 55.02 3afl s GLU 485 Cb -0.58 -2.95 -0.09 0.00 -1.78 0.00 0.00 34.13 28.73 3afl s GLU 485 CO 0.57 0.53 1.06 0.00 -0.49 0.00 0.00 175.26 176.93 3afl s ALA 486 N -1.48 3.24 -0.07 5.21 0.00 -1.26 -4.36 121.76 123.04 3afl s ALA 486 Ca 0.35 0.78 0.03 0.00 0.00 0.00 0.00 51.96 53.13 3afl s ALA 486 Cb -0.13 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3afl s ALA 486 CO 0.20 -0.16 -0.17 0.08 0.00 0.00 0.00 175.76 175.70 3afl s VAL 487 N -1.41 1.51 0.11 0.00 1.01 -0.98 -4.92 120.40 115.72 3afl s VAL 487 Ca 0.51 -0.71 -0.34 0.00 0.00 0.00 0.00 61.98 61.44 3afl s VAL 487 Cb -0.27 -1.33 -0.14 0.00 0.00 0.00 0.00 36.38 34.64 3afl s VAL 487 CO 0.34 0.44 1.58 -0.24 0.00 0.00 0.00 175.10 177.22 3afl n SER 488 N 3.61 2.91 -0.10 3.32 2.88 -1.26 -4.29 113.62 120.69 3afl n SER 488 Ca -0.21 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 3afl n SER 488 Cb 0.52 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 3afl n SER 488 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3afl n PRO 489 N 3.70 0.61 0.15 -1.46 -0.04 -1.26 -4.05 135.00 132.63 3afl n PRO 489 Ca 0.18 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.69 3afl n PRO 489 Cb 0.27 -1.06 0.49 0.00 -0.04 0.00 0.00 33.50 33.17 3afl n PRO 489 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3afl h ALA 490 N 2.10 1.74 -0.06 0.55 0.00 -2.00 -1.90 119.26 119.68 3afl h ALA 490 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3afl h ALA 490 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3afl h ALA 490 CO 0.00 0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.05 3afl n ASP 491 N -4.42 1.33 -4.67 0.00 3.85 -1.26 -4.89 116.55 106.50 3afl n ASP 491 Ca -0.01 -1.52 -0.42 0.00 -0.71 0.00 0.00 54.79 52.13 3afl n ASP 491 Cb 0.15 -0.04 -0.03 0.00 -1.35 0.00 0.00 41.12 39.86 3afl n ASP 491 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3afl s LEU 492 N -1.83 4.38 0.23 -2.12 2.96 -0.72 -4.93 118.68 116.66 3afl s LEU 492 Ca 0.36 2.49 -0.31 0.00 -0.22 0.00 0.00 54.13 56.45 3afl s LEU 492 Cb 0.19 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 43.20 3afl s LEU 492 CO 0.31 -0.97 1.27 -0.81 -1.32 0.00 0.00 176.35 174.83 3afl n PRO 493 N 6.85 1.69 -0.04 0.98 -0.04 -1.26 -4.88 135.00 138.29 3afl n PRO 493 Ca 0.18 0.60 -0.08 0.00 -0.04 0.00 0.00 63.50 64.16 3afl n PRO 493 Cb 0.41 -2.16 -0.02 0.00 -0.04 0.00 0.00 33.50 31.69 3afl n PRO 493 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3afl h ALA 494 N 3.53 0.01 -2.70 0.55 0.00 -1.92 -3.44 119.26 115.29 3afl h ALA 494 Ca -0.44 0.08 -0.67 0.00 0.00 0.00 0.00 54.91 53.89 3afl h ALA 494 Cb 1.31 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.36 3afl h ALA 494 CO 0.71 -0.57 -0.49 -1.17 0.00 0.00 0.00 179.25 177.73 3afl s LEU 495 N -10.48 4.32 -0.06 0.00 2.96 -1.26 -1.16 118.68 113.01 3afl s LEU 495 Ca -0.14 0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 54.18 3afl s LEU 495 Cb 0.12 -2.08 0.04 0.00 0.50 0.00 0.00 46.19 44.76 3afl s LEU 495 CO 0.69 0.40 0.09 0.00 -1.32 0.00 0.00 176.35 176.20 3afl s ALA 496 N -1.04 0.12 -0.16 5.97 0.00 -0.71 -5.03 121.76 120.92 3afl s ALA 496 Ca 0.16 0.29 -0.07 0.00 0.00 0.00 0.00 51.96 52.33 3afl s ALA 496 Cb -0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3afl s ALA 496 CO 0.05 -0.53 0.10 0.08 0.00 0.00 0.00 175.76 175.46 3afl s VAL 497 N 2.21 5.17 -0.74 0.00 1.01 -1.26 -1.55 120.40 125.24 3afl s VAL 497 Ca 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 3afl s VAL 497 Cb -0.12 -3.30 0.19 0.00 0.00 0.00 0.00 36.38 33.15 3afl s VAL 497 CO -0.04 0.52 0.58 -0.36 0.00 0.00 0.00 175.10 175.80 3afl s PHE 498 N -0.24 3.60 0.29 5.22 0.40 0.16 -4.94 117.98 122.48 3afl s PHE 498 Ca 0.10 -2.88 0.06 0.00 -0.60 0.00 0.00 56.93 53.61 3afl s PHE 498 Cb -0.12 -3.19 0.43 0.00 0.51 0.00 0.00 43.02 40.65 3afl s PHE 498 CO 0.01 -0.78 1.68 -0.44 0.70 0.00 0.00 175.22 176.39 3afl h ASP 499 N 6.52 0.26 0.46 1.36 5.19 -1.96 -0.15 116.42 128.11 3afl h ASP 499 Ca 0.07 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3afl h ASP 499 Cb 0.88 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.32 3afl h ASP 499 CO 0.77 0.67 0.00 0.44 -3.12 0.00 0.00 179.24 177.99 3afl h ASP 500 N 0.21 0.00 0.00 6.45 3.32 -1.95 -3.06 116.42 121.39 3afl h ASP 500 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3afl h ASP 500 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3afl h ASP 500 CO 0.07 0.00 -0.06 2.30 -1.72 0.00 0.00 179.24 179.82 3afl n ILE 501 N -2.87 0.00 -2.25 0.35 -5.35 -1.08 -4.70 119.36 103.47 3afl n ILE 501 Ca -0.01 -0.37 -0.02 0.00 -0.27 0.00 0.00 62.75 62.08 3afl n ILE 501 Cb 0.17 0.95 0.01 0.00 -1.74 0.00 0.00 39.64 39.03 3afl n ILE 501 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3afl n GLY 502 N 0.91 0.49 3.03 3.28 0.00 -0.15 -4.10 105.19 108.66 3afl n GLY 502 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 3afl n GLY 502 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3afl s TRP 503 N -3.03 2.10 -0.12 1.61 0.52 -0.73 -1.15 118.94 118.15 3afl s TRP 503 Ca 0.01 -1.13 0.01 0.00 0.02 0.00 0.00 56.10 55.01 3afl s TRP 503 Cb -0.01 -1.54 -0.01 0.00 -1.15 0.00 0.00 33.47 30.76 3afl s TRP 503 CO 0.06 -0.61 -0.15 0.00 0.02 0.00 0.00 176.95 176.27 3afl s ALA 504 N 1.34 2.55 0.06 0.98 0.00 0.40 0.40 121.76 127.49 3afl s ALA 504 Ca 0.01 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.13 3afl s ALA 504 Cb -0.13 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 3afl s ALA 504 CO -0.08 0.26 -0.15 0.95 0.00 0.00 0.00 175.76 176.74 3afl s THR 505 N 0.33 1.20 -0.06 0.00 -4.23 -0.59 -0.21 115.64 112.07 3afl s THR 505 Ca -0.12 -1.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 3afl s THR 505 Cb -0.16 -1.12 0.02 0.00 1.34 0.00 0.00 72.50 72.58 3afl s THR 505 CO 0.06 -0.12 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.30 3afl s ILE 506 N -1.12 0.91 -0.14 2.99 1.01 0.18 -1.73 121.20 123.30 3afl s ILE 506 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3afl s ILE 506 Cb -0.09 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.51 3afl s ILE 506 CO 0.02 0.31 -0.19 -1.10 0.00 0.00 0.00 174.94 173.98 3afl s GLN 507 N 0.91 3.12 -0.05 2.79 -1.52 -0.31 -0.99 119.66 123.61 3afl s GLN 507 Ca -0.11 -0.81 0.05 0.00 -1.95 0.00 0.00 55.36 52.54 3afl s GLN 507 Cb -0.15 -2.49 -0.01 0.00 -0.22 0.00 0.00 33.01 30.14 3afl s GLN 507 CO 0.01 0.04 -0.20 0.15 -0.25 0.00 0.00 175.29 175.04 3afl s LYS 508 N 0.71 2.09 -1.17 2.91 -0.14 -0.28 -4.39 119.74 119.47 3afl s LYS 508 Ca -0.09 -0.72 -0.29 0.00 -1.36 0.00 0.00 55.97 53.51 3afl s LYS 508 Cb -0.16 -1.79 0.03 0.00 -1.68 0.00 0.00 37.83 34.23 3afl s LYS 508 CO 0.01 0.29 0.71 -0.25 -0.76 0.00 0.00 175.35 175.36 3afl n ASP 509 N 3.08 -4.56 0.26 2.83 8.00 -1.26 -0.79 116.55 124.11 3afl n ASP 509 Ca -0.18 -1.19 0.11 0.00 0.71 0.00 0.00 54.79 54.24 3afl n ASP 509 Cb 0.53 -2.18 0.72 0.00 -0.02 0.00 0.00 41.12 40.17 3afl n ASP 509 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3afl h MET 510 N -2.27 0.00 0.00 -1.24 4.05 -1.89 -2.55 114.93 111.03 3afl h MET 510 Ca -0.69 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.73 3afl h MET 510 Cb 1.39 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.19 3afl h MET 510 CO 0.50 0.10 -0.02 -0.85 0.23 0.00 0.00 176.91 176.86 3afl n GLU 511 N -3.90 0.18 -3.80 0.39 0.00 -1.26 -4.77 120.64 107.47 3afl n GLU 511 Ca -0.02 0.14 -0.37 0.00 0.00 0.00 0.00 57.16 56.91 3afl n GLU 511 Cb 0.19 -1.71 -0.13 0.00 0.00 0.00 0.00 31.44 29.79 3afl n GLU 511 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3afl s ASP 512 N -4.04 5.05 0.00 -1.84 -1.08 -0.97 -4.98 116.67 108.81 3afl s ASP 512 Ca 0.12 -0.95 0.11 0.00 -0.52 0.00 0.00 52.55 51.30 3afl s ASP 512 Cb 0.14 -1.83 0.51 0.00 -1.46 0.00 0.00 42.92 40.28 3afl s ASP 512 CO 0.58 -0.24 1.26 -0.81 0.52 0.00 0.00 175.17 176.49 3afl n PRO 513 N 4.79 0.10 -0.06 4.34 -0.04 -1.26 -0.43 135.00 142.44 3afl n PRO 513 Ca -0.14 0.23 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 3afl n PRO 513 Cb 0.46 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.27 3afl n PRO 513 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3afl n ASP 514 N -1.35 0.21 -0.12 3.54 8.00 -1.26 -3.95 116.55 121.61 3afl n ASP 514 Ca 0.04 0.10 0.03 0.00 0.71 0.00 0.00 54.79 55.67 3afl n ASP 514 Cb 0.10 0.91 -0.00 0.00 -0.02 0.00 0.00 41.12 42.10 3afl n ASP 514 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3afl n ARG 515 N -2.73 2.40 -2.03 -1.24 1.74 -0.90 -3.93 116.66 109.97 3afl n ARG 515 Ca -0.24 -0.45 -0.42 0.00 -0.77 0.00 0.00 57.85 55.97 3afl n ARG 515 Cb 1.02 -0.94 -0.03 0.00 -1.02 0.00 0.00 32.46 31.50 3afl n ARG 515 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3afl s HIS 516 N -0.96 2.27 -0.12 -1.55 2.46 0.43 -4.50 115.29 113.32 3afl s HIS 516 Ca 0.05 0.35 0.03 0.00 0.47 0.00 0.00 55.06 55.96 3afl s HIS 516 Cb 0.04 -3.87 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 3afl s HIS 516 CO 0.14 -3.56 -0.22 -1.17 -2.47 0.00 0.00 174.74 167.46 3afl s LEU 517 N 3.37 2.16 -0.15 8.88 0.20 0.03 -1.67 118.68 131.50 3afl s LEU 517 Ca 0.71 -0.56 0.02 0.00 0.69 0.00 0.00 54.13 54.99 3afl s LEU 517 Cb -0.34 -1.45 0.02 0.00 -0.43 0.00 0.00 46.19 43.99 3afl s LEU 517 CO 0.29 0.12 -0.19 -1.58 -0.29 0.00 0.00 176.35 174.71 3afl s GLN 518 N 0.55 2.74 -0.04 1.98 0.74 0.25 -1.13 119.66 124.76 3afl s GLN 518 Ca -0.13 -0.74 0.03 0.00 0.05 0.00 0.00 55.36 54.57 3afl s GLN 518 Cb -0.17 -2.32 0.00 0.00 1.10 0.00 0.00 33.01 31.63 3afl s GLN 518 CO 0.04 -0.11 -0.13 0.12 -0.55 0.00 0.00 175.29 174.66 3afl s PHE 519 N 1.09 1.30 -0.02 1.67 5.36 -0.16 -0.66 117.98 126.57 3afl s PHE 519 Ca -0.02 -0.36 -0.00 0.00 -0.96 0.00 0.00 56.93 55.59 3afl s PHE 519 Cb -0.14 -0.91 0.02 0.00 -0.34 0.00 0.00 43.02 41.65 3afl s PHE 519 CO -0.06 -0.14 0.03 0.54 -1.46 0.00 0.00 175.22 174.12 3afl s VAL 520 N 0.19 -0.04 -0.03 3.12 0.11 -1.11 0.50 120.40 123.15 3afl s VAL 520 Ca -0.05 0.13 0.06 0.00 -2.93 0.00 0.00 61.98 59.20 3afl s VAL 520 Cb -0.10 -0.07 -0.02 0.00 -1.53 0.00 0.00 36.38 34.65 3afl s VAL 520 CO 0.01 0.05 -0.20 0.12 -3.33 0.00 0.00 175.10 171.75 3afl s PHE 521 N 0.67 2.50 -0.07 1.54 5.36 0.71 -1.48 117.98 127.21 3afl s PHE 521 Ca -0.06 -0.31 -0.01 0.00 -0.96 0.00 0.00 56.93 55.60 3afl s PHE 521 Cb -0.08 -1.55 0.03 0.00 -0.34 0.00 0.00 43.02 41.08 3afl s PHE 521 CO -0.02 0.08 -0.02 0.21 -1.46 0.00 0.00 175.22 174.01 3afl s LYS 522 N -0.74 0.81 -0.29 10.12 2.20 -0.80 -0.46 119.74 130.59 3afl s LYS 522 Ca 0.11 -0.00 -0.03 0.00 -0.36 0.00 0.00 55.97 55.69 3afl s LYS 522 Cb -0.10 -1.03 0.10 0.00 -1.51 0.00 0.00 37.83 35.28 3afl s LYS 522 CO 0.00 -0.24 0.12 0.45 -0.36 0.00 0.00 175.35 175.32 3afl s SER 523 N 1.65 3.67 -0.09 1.43 0.15 -0.30 -0.59 113.70 119.62 3afl s SER 523 Ca 0.01 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.28 3afl s SER 523 Cb -0.13 -0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 63.63 3afl s SER 523 CO -0.04 -0.43 -0.08 -0.55 1.20 0.00 0.00 173.24 173.34 3afl s SER 524 N 1.93 4.49 0.00 5.45 0.15 -1.26 -2.58 113.70 121.88 3afl s SER 524 Ca 0.09 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.68 3afl s SER 524 Cb -0.16 -1.27 0.27 0.00 -1.71 0.00 0.00 66.02 63.15 3afl s SER 524 CO -0.32 0.31 0.70 -2.65 1.20 0.00 0.00 173.24 172.47 3afl n PRO 525 N 2.60 0.43 -0.12 5.44 -0.02 -0.89 -0.77 135.00 141.68 3afl n PRO 525 Ca -0.18 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.41 3afl n PRO 525 Cb 0.53 -1.16 0.16 0.00 -0.02 0.00 0.00 33.50 33.01 3afl n PRO 525 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3afl n TYR 526 N -0.66 0.32 -1.47 6.00 4.01 -1.26 -4.90 117.16 119.20 3afl n TYR 526 Ca 0.03 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3afl n TYR 526 Cb 0.02 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3afl n TYR 526 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3afl n GLY 527 N 1.30 1.99 1.86 2.72 0.00 -0.99 -1.77 105.19 110.30 3afl n GLY 527 Ca 0.16 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 3afl n GLY 527 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3afl n SER 528 N -0.48 3.53 -4.76 1.61 3.41 -1.03 -4.42 113.62 111.48 3afl n SER 528 Ca 0.00 -3.60 -0.40 0.00 -0.26 0.00 0.00 58.87 54.61 3afl n SER 528 Cb 0.00 -0.76 -0.04 0.00 -0.26 0.00 0.00 64.21 63.15 3afl n SER 528 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3afl s LEU 529 N -3.24 4.51 0.00 1.04 2.96 -0.73 -4.57 118.68 118.66 3afl s LEU 529 Ca 0.53 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.74 3afl s LEU 529 Cb 0.45 -3.67 0.00 0.00 0.50 0.00 0.00 46.19 43.47 3afl s LEU 529 CO 0.08 -0.21 0.00 -0.24 -1.32 0.00 0.00 176.35 174.66 3afl n SER 530 N 1.05 0.00 0.15 3.68 2.88 -1.26 -1.79 113.62 118.33 3afl n SER 530 Ca -0.01 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.66 3afl n SER 530 Cb 0.45 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.22 3afl n SER 530 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3afl h ALA 531 N -0.63 1.00 -2.36 -1.46 0.00 -1.87 -3.46 119.26 110.48 3afl h ALA 531 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3afl h ALA 531 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.90 3afl h ALA 531 CO 0.00 0.00 0.35 -1.12 0.00 0.00 0.00 179.25 178.48 3afl s SER 532 N -5.20 4.97 0.49 0.00 0.01 -0.74 -1.85 113.70 111.38 3afl s SER 532 Ca 0.09 1.83 0.03 0.00 1.31 0.00 0.00 55.95 59.21 3afl s SER 532 Cb 0.09 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.83 3afl s SER 532 CO 0.62 -1.72 0.25 1.41 0.41 0.00 0.00 173.24 174.22 3afl n HIS 533 N -3.00 -0.09 -1.87 2.43 -0.00 -1.26 -4.31 115.22 107.12 3afl n HIS 533 Ca 0.09 -2.19 -0.42 0.00 -0.00 0.00 0.00 57.72 55.20 3afl n HIS 533 Cb 0.53 -0.38 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 3afl n HIS 533 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3afl n GLY 534 N -0.92 4.51 2.46 -1.41 0.00 -0.20 -3.85 105.19 105.79 3afl n GLY 534 Ca -0.08 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 3afl n GLY 534 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3afl n ASP 535 N 5.42 1.98 -4.77 1.61 5.68 -1.26 -3.33 116.55 121.88 3afl n ASP 535 Ca 0.50 -2.32 -0.39 0.00 -0.50 0.00 0.00 54.79 52.08 3afl n ASP 535 Cb 0.38 -0.44 -0.04 0.00 -1.14 0.00 0.00 41.12 39.88 3afl n ASP 535 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3afl s GLN 536 N -3.22 4.48 -1.58 0.11 -1.52 -1.26 -2.55 119.66 114.13 3afl s GLN 536 Ca 0.32 1.72 0.00 0.00 -1.95 0.00 0.00 55.36 55.45 3afl s GLN 536 Cb 0.34 -2.99 0.00 0.00 -0.22 0.00 0.00 33.01 30.15 3afl s GLN 536 CO -0.05 0.09 0.00 0.09 -0.25 0.00 0.00 175.29 175.18 3afl n ASN 537 N 0.79 -5.15 -4.93 5.90 4.13 0.24 -4.94 115.26 111.30 3afl n ASN 537 Ca 0.01 0.07 -0.26 0.00 1.68 0.00 0.00 54.58 56.08 3afl n ASN 537 Cb 0.46 -4.23 -0.03 0.00 -1.54 0.00 0.00 39.78 34.45 3afl n ASN 537 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3afl s ALA 538 N -2.83 3.80 0.08 5.41 0.00 -1.06 -4.69 121.76 122.47 3afl s ALA 538 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3afl s ALA 538 Cb 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 3afl s ALA 538 CO 0.00 0.30 -0.05 -0.59 0.00 0.00 0.00 175.76 175.42 3afl s PHE 539 N -1.99 0.75 0.02 0.00 -0.12 -1.13 -1.90 117.98 113.62 3afl s PHE 539 Ca 0.38 -0.94 0.03 0.00 -0.05 0.00 0.00 56.93 56.36 3afl s PHE 539 Cb -0.10 -0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 41.81 3afl s PHE 539 CO 0.31 -0.22 -0.10 0.14 -0.05 0.00 0.00 175.22 175.29 3afl s VAL 540 N -3.58 0.77 -0.16 -2.49 -7.23 -0.55 -4.29 120.40 102.88 3afl s VAL 540 Ca 0.09 -0.74 -0.02 0.00 -1.81 0.00 0.00 61.98 59.49 3afl s VAL 540 Cb 0.05 -0.71 0.05 0.00 0.56 0.00 0.00 36.38 36.33 3afl s VAL 540 CO -0.06 -0.02 0.01 -0.22 -0.31 0.00 0.00 175.10 174.50 3afl s LEU 541 N -0.85 1.12 -0.33 1.32 2.96 0.29 -2.75 118.68 120.44 3afl s LEU 541 Ca -0.00 -0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 53.23 3afl s LEU 541 Cb -0.06 -0.61 0.04 0.00 0.50 0.00 0.00 46.19 46.05 3afl s LEU 541 CO 0.00 -0.26 0.09 -0.47 -1.32 0.00 0.00 176.35 174.40 3afl s TYR 542 N 1.84 3.25 0.16 5.38 5.04 0.17 -0.30 117.35 132.90 3afl s TYR 542 Ca 0.01 -1.47 0.07 0.00 -2.44 0.00 0.00 57.07 53.24 3afl s TYR 542 Cb -0.16 -2.25 -0.04 0.00 0.35 0.00 0.00 41.96 39.86 3afl s TYR 542 CO -0.07 -0.73 -0.14 0.00 -1.34 0.00 0.00 175.55 173.26 3afl s ALA 543 N 1.39 1.74 -1.23 3.97 0.00 -0.76 0.85 121.76 127.71 3afl s ALA 543 Ca -0.02 -1.48 -0.08 0.00 0.00 0.00 0.00 51.96 50.38 3afl s ALA 543 Cb -0.19 -0.07 0.06 0.00 0.00 0.00 0.00 23.12 22.91 3afl s ALA 543 CO 0.02 0.08 0.42 0.72 0.00 0.00 0.00 175.76 177.00 3afl n HIS 544 N 0.07 -1.75 -1.27 0.00 8.25 -1.04 -1.65 115.22 117.84 3afl n HIS 544 Ca -0.12 0.40 -0.04 0.00 -0.26 0.00 0.00 57.72 57.70 3afl n HIS 544 Cb 0.59 -2.90 -0.01 0.00 1.12 0.00 0.00 29.99 28.78 3afl n HIS 544 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3afl n GLY 545 N -1.12 0.61 3.08 -1.41 0.00 -0.67 -4.55 105.19 101.13 3afl n GLY 545 Ca -0.03 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 3afl n GLY 545 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3afl s GLU 546 N -2.63 0.51 -0.29 1.61 2.12 -0.66 -4.96 118.70 114.41 3afl s GLU 546 Ca 0.00 -0.70 -0.29 0.00 0.36 0.00 0.00 54.97 54.34 3afl s GLU 546 Cb 0.00 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.60 3afl s GLU 546 CO 0.00 -0.12 1.12 -0.51 -0.54 0.00 0.00 175.26 175.21 3afl s ASP 547 N -1.92 6.92 -0.02 -1.70 1.01 -1.26 -1.82 116.67 117.88 3afl s ASP 547 Ca -0.08 1.19 -0.05 0.00 0.71 0.00 0.00 52.55 54.32 3afl s ASP 547 Cb -0.03 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 3afl s ASP 547 CO -0.03 -0.86 -0.10 0.18 0.21 0.00 0.00 175.17 174.56 3afl n LEU 548 N 6.86 0.88 -4.34 1.23 4.77 -0.62 -4.85 117.00 120.93 3afl n LEU 548 Ca 0.13 0.14 -0.46 0.00 -0.03 0.00 0.00 56.01 55.78 3afl n LEU 548 Cb 0.47 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3afl n LEU 548 CO 0.58 -0.51 0.31 0.00 -1.33 0.00 0.00 177.39 176.45 3afl s ALA 549 N -2.49 3.65 0.33 -1.18 0.00 0.59 -4.44 121.76 118.22 3afl s ALA 549 Ca -0.08 -2.60 0.05 0.00 0.00 0.00 0.00 51.96 49.32 3afl s ALA 549 Cb 0.01 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3afl s ALA 549 CO 0.13 -2.21 0.48 0.96 0.00 0.00 0.00 175.76 175.11 3afl s ILE 550 N 1.71 4.48 -0.18 0.00 -4.36 -0.66 -0.54 121.20 121.65 3afl s ILE 550 Ca 0.10 -0.86 -0.29 0.00 -0.26 0.00 0.00 60.65 59.33 3afl s ILE 550 Cb -0.23 -3.59 0.00 0.00 1.25 0.00 0.00 42.46 39.89 3afl s ILE 550 CO 0.01 -0.27 1.04 -1.58 0.24 0.00 0.00 174.94 174.38 3afl s GLN 551 N -4.20 4.32 0.31 0.37 2.00 -0.37 -4.65 119.66 117.44 3afl s GLN 551 Ca 0.42 1.39 -0.02 0.00 -2.00 0.00 0.00 55.36 55.14 3afl s GLN 551 Cb -0.09 -3.61 -0.04 0.00 0.80 0.00 0.00 33.01 30.07 3afl s GLN 551 CO 0.32 -0.51 0.54 -1.54 -0.50 0.00 0.00 175.29 173.60 3afl s SER 552 N 1.19 6.37 0.00 6.67 1.04 -1.26 -4.91 113.70 122.81 3afl s SER 552 Ca 0.46 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.48 3afl s SER 552 Cb -0.17 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.86 3afl s SER 552 CO 0.11 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.71 3afl n GLY 553 N -1.26 -1.83 3.23 7.32 0.00 -1.26 -4.80 105.19 106.59 3afl n GLY 553 Ca -0.03 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 3afl n GLY 553 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3afl s TYR 554 N 0.00 1.15 0.02 1.61 2.02 -1.26 -4.92 117.35 115.97 3afl s TYR 554 Ca 0.00 -0.85 -0.25 0.00 -0.37 0.00 0.00 57.07 55.60 3afl s TYR 554 Cb 0.00 -0.62 -0.18 0.00 -0.40 0.00 0.00 41.96 40.76 3afl s TYR 554 CO 0.00 -0.04 1.41 -0.92 -1.57 0.00 0.00 175.55 174.43 3afl h TYR 555 N 2.82 -0.13 0.00 2.71 3.20 -1.84 -3.43 116.97 120.30 3afl h TYR 555 Ca -0.36 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3afl h TYR 555 Cb 1.19 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.50 3afl h TYR 555 CO 0.61 0.17 0.00 0.28 -1.64 0.00 0.00 178.16 177.58 3afl n VAL 556 N -5.02 0.00 -3.60 1.81 0.31 -1.26 -4.53 118.33 106.05 3afl n VAL 556 Ca -0.08 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 3afl n VAL 556 Cb 0.19 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.07 3afl n VAL 556 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3afl s ALA 557 N -0.60 -1.99 0.26 3.52 0.00 -1.26 -5.06 121.76 116.63 3afl s ALA 557 Ca 0.00 1.68 -0.30 0.00 0.00 0.00 0.00 51.96 53.33 3afl s ALA 557 Cb 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 23.12 22.06 3afl s ALA 557 CO 0.00 -0.29 1.57 0.12 0.00 0.00 0.00 175.76 177.16 3afl s PHE 558 N -1.09 2.86 -1.08 0.00 5.36 -1.26 -1.94 117.98 120.82 3afl s PHE 558 Ca 0.01 0.78 0.00 0.00 -0.96 0.00 0.00 56.93 56.76 3afl s PHE 558 Cb -0.01 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.67 3afl s PHE 558 CO -0.01 -3.44 0.00 0.09 -1.46 0.00 0.00 175.22 170.40 3afl n ASN 559 N 2.56 -3.97 -4.63 6.13 4.13 -1.26 -4.95 115.26 113.27 3afl n ASN 559 Ca 0.09 0.02 -0.25 0.00 1.68 0.00 0.00 54.58 56.12 3afl n ASN 559 Cb 0.38 -3.12 0.11 0.00 -1.54 0.00 0.00 39.78 35.61 3afl n ASN 559 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3afl s SER 560 N -2.48 4.25 0.12 6.41 1.04 -0.82 -4.96 113.70 117.26 3afl s SER 560 Ca 0.00 -0.17 -0.08 0.00 0.48 0.00 0.00 55.95 56.18 3afl s SER 560 Cb 0.00 -0.21 -0.12 0.00 0.10 0.00 0.00 66.02 65.79 3afl s SER 560 CO 0.00 -1.93 1.29 1.56 0.98 0.00 0.00 173.24 175.14 3afl h GLN 561 N -0.67 0.54 -0.56 4.02 4.20 -1.97 -1.98 115.11 118.69 3afl h GLN 561 Ca -0.39 -0.54 0.01 0.00 0.06 0.00 0.00 58.65 57.79 3afl h GLN 561 Cb 1.27 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 29.16 3afl h GLN 561 CO 0.42 1.17 0.37 1.98 -0.67 0.00 0.00 178.83 182.11 3afl h MET 562 N 0.32 0.71 0.37 1.46 4.05 -1.92 0.11 114.93 120.04 3afl h MET 562 Ca -0.08 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.27 3afl h MET 562 Cb 1.56 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 32.20 3afl h MET 562 CO 0.17 0.47 -0.18 1.25 0.23 0.00 0.00 176.91 178.86 3afl h HIS 563 N 0.73 -0.46 -0.08 1.39 -0.00 -1.78 0.81 115.15 115.77 3afl h HIS 563 Ca 0.21 -0.01 -0.25 0.00 -0.00 0.00 0.00 60.37 60.33 3afl h HIS 563 Cb -0.04 0.15 0.02 0.00 -0.00 0.00 0.00 27.41 27.54 3afl h HIS 563 CO -0.00 -0.28 -0.91 -0.07 -0.00 0.00 0.00 177.93 176.66 3afl h LEU 564 N -0.88 0.94 -0.54 0.26 3.38 -1.25 -1.54 115.31 115.67 3afl h LEU 564 Ca -0.05 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3afl h LEU 564 Cb 0.38 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3afl h LEU 564 CO 0.08 1.48 -0.55 0.59 0.09 0.00 0.00 178.44 180.13 3afl n ASN 565 N -3.90 1.36 0.00 -0.43 4.13 0.38 -4.44 115.26 112.36 3afl n ASN 565 Ca -0.09 -1.18 0.00 0.00 1.68 0.00 0.00 54.58 54.99 3afl n ASN 565 Cb 0.82 0.69 0.00 0.00 -1.54 0.00 0.00 39.78 39.74 3afl n ASN 565 CO 0.00 0.00 0.00 1.87 0.28 0.00 0.00 177.26 179.41 3afl n TRP 566 N -0.63 0.00 -0.05 3.10 -0.00 -1.13 -4.69 117.44 114.05 3afl n TRP 566 Ca 0.06 0.00 0.16 0.00 -0.00 0.00 0.00 57.50 57.72 3afl n TRP 566 Cb 0.33 0.00 0.60 0.00 -0.00 0.00 0.00 31.31 32.24 3afl n TRP 566 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3afl h ARG 567 N 0.00 0.19 -0.01 5.87 3.08 -0.79 0.29 114.38 123.00 3afl h ARG 567 Ca 0.00 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 3afl h ARG 567 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3afl h ARG 567 CO 0.00 0.13 -0.78 0.00 -1.07 0.00 0.00 179.97 178.25 3afl h ARG 568 N 0.20 0.14 -7.17 0.04 3.08 -1.50 -3.45 114.38 105.73 3afl h ARG 568 Ca 0.27 -0.14 -0.47 0.00 0.07 0.00 0.00 59.98 59.72 3afl h ARG 568 Cb 0.81 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.90 3afl h ARG 568 CO -0.05 0.85 0.37 -0.65 -1.07 0.00 0.00 179.97 179.42 3afl s GLN 569 N -3.35 3.98 0.33 0.04 -1.52 0.10 -1.03 119.66 118.21 3afl s GLN 569 Ca -0.02 1.00 0.01 0.00 -1.95 0.00 0.00 55.36 54.40 3afl s GLN 569 Cb 0.11 -2.14 0.58 0.00 -0.22 0.00 0.00 33.01 31.34 3afl s GLN 569 CO 0.81 -0.25 1.99 1.15 -0.25 0.00 0.00 175.29 178.74 3afl h THR 570 N 1.09 1.18 0.00 -0.19 2.02 -1.79 -2.90 112.91 112.32 3afl h THR 570 Ca -0.47 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.35 3afl h THR 570 Cb 1.19 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3afl h THR 570 CO 0.61 0.18 0.01 -2.11 0.37 0.00 0.00 175.52 174.58 3afl n ARG 571 N -4.42 0.00 -0.13 6.66 1.85 -1.26 0.49 116.66 119.85 3afl n ARG 571 Ca 0.07 0.47 0.11 0.00 -1.00 0.00 0.00 57.85 57.50 3afl n ARG 571 Cb 0.05 -1.51 0.17 0.00 -1.05 0.00 0.00 32.46 30.12 3afl n ARG 571 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3afl n SER 572 N -1.47 3.17 -4.85 2.89 3.41 -1.09 -5.00 113.62 110.68 3afl n SER 572 Ca 0.00 -1.94 -0.21 0.00 -0.26 0.00 0.00 58.87 56.46 3afl n SER 572 Cb 0.01 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 3afl n SER 572 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3afl s LYS 573 N -1.51 2.63 -1.22 4.33 -0.14 0.18 -4.03 119.74 119.98 3afl s LYS 573 Ca 0.33 -1.40 -0.16 0.00 -1.36 0.00 0.00 55.97 53.38 3afl s LYS 573 Cb 0.20 -2.41 0.12 0.00 -1.68 0.00 0.00 37.83 34.06 3afl s LYS 573 CO 0.28 0.01 1.54 -0.80 -0.76 0.00 0.00 175.35 175.62 3afl s ASN 574 N -4.02 6.92 0.31 2.83 0.02 -1.26 -4.55 114.94 115.19 3afl s ASN 574 Ca 0.43 -2.64 -0.19 0.00 -1.02 0.00 0.00 52.86 49.43 3afl s ASN 574 Cb -0.05 -2.48 0.03 0.00 0.02 0.00 0.00 41.25 38.77 3afl s ASN 574 CO 0.27 -0.98 0.74 0.00 0.02 0.00 0.00 177.10 177.15 3afl s ALA 575 N 2.90 -1.06 0.31 0.60 0.00 -1.03 -2.82 121.76 120.65 3afl s ALA 575 Ca 0.47 -0.46 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 3afl s ALA 575 Cb 0.00 0.80 -0.06 0.00 0.00 0.00 0.00 23.12 23.86 3afl s ALA 575 CO 0.02 -1.02 0.62 0.14 0.00 0.00 0.00 175.76 175.52 3afl s VAL 576 N -3.40 4.93 0.06 0.00 -7.23 -1.26 -1.76 120.40 111.75 3afl s VAL 576 Ca 0.13 0.32 0.06 0.00 -1.81 0.00 0.00 61.98 60.68 3afl s VAL 576 Cb -0.06 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.14 3afl s VAL 576 CO 0.08 -0.32 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.66 3afl s LEU 577 N -3.46 2.87 -0.19 1.32 1.43 0.23 -4.92 118.68 115.96 3afl s LEU 577 Ca 0.47 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3afl s LEU 577 Cb -0.11 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.46 3afl s LEU 577 CO 0.28 0.23 -0.15 -0.63 0.23 0.00 0.00 176.35 176.31 3afl s ILE 578 N -1.05 1.83 -1.45 -0.59 1.01 -0.53 -0.57 121.20 119.85 3afl s ILE 578 Ca 0.18 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 3afl s ILE 578 Cb -0.11 -1.77 0.03 0.00 0.01 0.00 0.00 42.46 40.62 3afl s ILE 578 CO 0.09 0.34 0.97 0.61 0.00 0.00 0.00 174.94 176.95 3afl n GLY 579 N 4.65 -0.53 2.58 6.18 0.00 0.26 -0.77 105.19 117.57 3afl n GLY 579 Ca -0.17 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3afl n GLY 579 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3afl n GLY 580 N -1.78 1.10 3.48 -0.02 0.00 -1.26 -4.96 105.19 101.75 3afl n GLY 580 Ca -0.01 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3afl n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3afl s LYS 581 N -2.74 2.12 0.22 1.61 1.02 0.05 -5.09 119.74 116.94 3afl s LYS 581 Ca 0.00 -0.96 0.01 0.00 0.02 0.00 0.00 55.97 55.04 3afl s LYS 581 Cb 0.00 -2.23 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 3afl s LYS 581 CO 0.00 0.54 0.12 0.41 -0.92 0.00 0.00 175.35 175.50 3afl n GLY 582 N 1.46 3.22 3.79 -3.33 0.00 -1.26 -1.45 105.19 107.61 3afl n GLY 582 Ca -0.16 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.24 3afl n GLY 582 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3afl s GLN 583 N -2.88 4.49 -0.01 1.61 -2.07 -1.26 -4.68 119.66 114.86 3afl s GLN 583 Ca 0.09 1.10 -0.35 0.00 -1.82 0.00 0.00 55.36 54.39 3afl s GLN 583 Cb -0.01 -3.12 -0.13 0.00 -1.09 0.00 0.00 33.01 28.66 3afl s GLN 583 CO 0.06 0.50 1.73 0.98 -1.32 0.00 0.00 175.29 177.24 3afl n TYR 584 N 1.27 2.23 -2.19 9.60 9.36 -1.23 -4.56 117.16 131.65 3afl n TYR 584 Ca -0.04 0.18 0.04 0.00 3.32 0.00 0.00 57.90 61.40 3afl n TYR 584 Cb 0.49 -2.58 0.06 0.00 -0.63 0.00 0.00 39.34 36.68 3afl n TYR 584 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3afl n ALA 585 N 5.17 2.61 -1.99 2.98 0.00 -1.26 -4.60 120.51 123.41 3afl n ALA 585 Ca 0.21 -2.42 -0.24 0.00 0.00 0.00 0.00 53.44 50.98 3afl n ALA 585 Cb 0.27 -0.61 0.12 0.00 0.00 0.00 0.00 19.45 19.23 3afl n ALA 585 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3afl s GLU 586 N -0.84 1.50 0.51 0.00 0.41 -1.26 -4.90 118.70 114.12 3afl s GLU 586 Ca 0.31 -1.17 0.28 0.00 -0.41 0.00 0.00 54.97 53.99 3afl s GLU 586 Cb 0.34 -2.30 1.30 0.00 -1.78 0.00 0.00 34.13 31.69 3afl s GLU 586 CO -0.12 -1.59 1.98 1.57 -0.49 0.00 0.00 175.26 176.61 3afl h LYS 587 N -0.65 0.00 -6.19 1.61 -0.00 -1.99 -3.43 116.57 105.93 3afl h LYS 587 Ca -0.35 0.00 -0.58 0.00 -0.00 0.00 0.00 60.65 59.71 3afl h LYS 587 Cb 1.26 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.47 3afl h LYS 587 CO 0.38 0.13 1.34 0.34 -0.00 0.00 0.00 179.45 181.64 3afl s ASP 588 N -6.01 5.77 0.48 7.07 2.15 -1.26 -4.86 116.67 120.01 3afl s ASP 588 Ca -0.01 1.48 0.27 0.00 0.43 0.00 0.00 52.55 54.73 3afl s ASP 588 Cb 0.11 -2.52 0.78 0.00 -0.30 0.00 0.00 42.92 40.99 3afl s ASP 588 CO 0.58 -1.78 1.77 0.07 -0.17 0.00 0.00 175.17 175.64 3afl h LYS 589 N 13.51 0.00 -0.10 4.34 2.10 -1.98 -1.22 116.57 133.21 3afl h LYS 589 Ca -0.36 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.27 3afl h LYS 589 Cb 1.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3afl h LYS 589 CO 1.01 0.02 -0.04 0.00 -2.00 0.00 0.00 179.45 178.44 3afl h ALA 590 N 1.98 0.13 -0.22 0.07 0.00 -1.97 -1.11 119.26 118.14 3afl h ALA 590 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3afl h ALA 590 Cb 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3afl h ALA 590 CO 0.00 -0.11 0.08 -0.07 0.00 0.00 0.00 179.25 179.15 3afl h LEU 591 N -0.16 0.31 -0.36 0.00 3.38 -1.94 -1.26 115.31 115.28 3afl h LEU 591 Ca 0.02 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3afl h LEU 591 Cb 0.48 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 3afl h LEU 591 CO 0.01 0.41 -0.15 0.00 0.09 0.00 0.00 178.44 178.81 3afl h ALA 592 N 0.91 0.15 0.00 1.53 0.00 -1.19 0.22 119.26 120.88 3afl h ALA 592 Ca 0.07 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3afl h ALA 592 Cb 0.21 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3afl h ALA 592 CO -0.00 -0.52 -0.30 -0.09 0.00 0.00 0.00 179.25 178.33 3afl h ARG 593 N -0.08 0.00 -0.28 0.00 9.65 -1.12 -2.51 114.38 120.04 3afl h ARG 593 Ca 0.18 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.89 3afl h ARG 593 Cb 0.36 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.93 3afl h ARG 593 CO -0.42 0.30 -0.50 -0.09 2.80 0.00 0.00 179.97 182.06 3afl h ARG 594 N 0.00 0.78 -3.28 0.20 2.43 0.12 -3.36 114.38 111.26 3afl h ARG 594 Ca -0.00 -0.47 -0.35 0.00 -0.81 0.00 0.00 59.98 58.35 3afl h ARG 594 Cb 0.58 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3afl h ARG 594 CO 0.04 1.10 2.27 0.00 -1.51 0.00 0.00 179.97 181.87 3afl n ALA 595 N -2.55 4.69 -2.45 2.80 0.00 0.62 -4.54 120.51 119.08 3afl n ALA 595 Ca -0.03 -1.89 -0.22 0.00 0.00 0.00 0.00 53.44 51.29 3afl n ALA 595 Cb 0.60 -2.90 -0.05 0.00 0.00 0.00 0.00 19.45 17.09 3afl n ALA 595 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3afl s ALA 596 N 3.16 3.70 0.00 0.00 0.00 -1.26 -4.19 121.76 123.18 3afl s ALA 596 Ca 0.40 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.54 3afl s ALA 596 Cb 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.36 3afl s ALA 596 CO -0.03 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3afl n GLY 597 N -1.29 6.21 3.58 0.00 0.00 0.05 -2.30 105.19 111.44 3afl n GLY 597 Ca -0.01 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.07 3afl n GLY 597 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3afl s ARG 598 N 0.22 0.44 -0.56 1.61 1.70 -0.68 -2.09 118.95 119.59 3afl s ARG 598 Ca 0.00 -0.06 -0.28 0.00 -0.47 0.00 0.00 55.73 54.92 3afl s ARG 598 Cb 0.00 0.20 0.02 0.00 -0.57 0.00 0.00 34.95 34.60 3afl s ARG 598 CO 0.00 -0.17 1.31 0.42 -1.08 0.00 0.00 175.30 175.78 3afl s ILE 599 N -1.96 3.90 -0.01 4.99 -1.09 -1.20 -1.31 121.20 124.51 3afl s ILE 599 Ca 0.05 0.80 -0.25 0.00 -2.23 0.00 0.00 60.65 59.02 3afl s ILE 599 Cb -0.01 -4.55 -0.20 0.00 -1.58 0.00 0.00 42.46 36.13 3afl s ILE 599 CO -0.04 -1.21 1.30 0.58 -1.23 0.00 0.00 174.94 174.34 3afl h VAL 600 N 6.29 1.31 -2.18 2.92 2.07 -0.50 -3.47 116.25 122.68 3afl h VAL 600 Ca -0.26 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 3afl h VAL 600 Cb 1.08 1.98 -0.19 0.00 -1.52 0.00 0.00 31.29 32.64 3afl h VAL 600 CO 1.17 0.26 0.10 -0.94 0.02 0.00 0.00 177.57 178.19 3afl s SER 601 N -5.61 -0.59 -0.07 0.57 1.04 -1.18 -5.01 113.70 102.85 3afl s SER 601 Ca -0.15 0.68 0.03 0.00 0.48 0.00 0.00 55.95 56.98 3afl s SER 601 Cb 0.02 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.73 3afl s SER 601 CO 0.66 -0.55 -0.15 -0.69 0.98 0.00 0.00 173.24 173.49 3afl s VAL 602 N -1.06 1.37 -0.04 5.02 1.01 -1.26 -1.73 120.40 123.72 3afl s VAL 602 Ca -0.10 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3afl s VAL 602 Cb -0.01 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.18 3afl s VAL 602 CO 0.08 0.40 -0.00 -1.61 0.00 0.00 0.00 175.10 173.97 3afl s GLU 603 N 0.52 0.39 -0.05 2.72 2.02 -0.63 -5.02 118.70 118.66 3afl s GLU 603 Ca -0.14 0.07 0.03 0.00 0.02 0.00 0.00 54.97 54.94 3afl s GLU 603 Cb -0.16 -0.58 0.01 0.00 0.10 0.00 0.00 34.13 33.49 3afl s GLU 603 CO 0.05 -0.15 -0.13 -2.00 0.02 0.00 0.00 175.26 173.05 3afl s GLU 604 N 1.15 1.52 0.08 1.61 2.12 -1.26 -1.69 118.70 122.23 3afl s GLU 604 Ca -0.08 -0.43 -0.17 0.00 0.36 0.00 0.00 54.97 54.65 3afl s GLU 604 Cb -0.13 -1.31 0.04 0.00 0.26 0.00 0.00 34.13 32.98 3afl s GLU 604 CO -0.02 0.10 0.41 1.14 -0.54 0.00 0.00 175.26 176.36 3afl s GLN 605 N 0.39 1.00 -0.29 4.30 -2.07 -0.88 -5.04 119.66 117.06 3afl s GLN 605 Ca -0.09 -0.52 -0.43 0.00 -1.82 0.00 0.00 55.36 52.50 3afl s GLN 605 Cb -0.13 0.44 -0.19 0.00 -1.09 0.00 0.00 33.01 32.04 3afl s GLN 605 CO 0.02 -0.37 1.47 -2.30 -1.32 0.00 0.00 175.29 172.80 3afl n PRO 606 N 0.15 0.28 -2.31 9.60 -0.02 -1.26 -0.66 135.00 140.78 3afl n PRO 606 Ca -0.17 0.10 -0.18 0.00 -2.02 0.00 0.00 63.50 61.22 3afl n PRO 606 Cb 0.62 -1.64 -0.01 0.00 -0.02 0.00 0.00 33.50 32.44 3afl n PRO 606 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3afl n GLY 607 N 3.29 -0.28 3.15 -1.23 0.00 -1.26 -4.88 105.19 103.98 3afl n GLY 607 Ca 0.27 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.22 3afl n GLY 607 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3afl s HIS 608 N -2.91 -1.57 0.08 1.61 5.65 0.16 0.10 115.29 118.42 3afl s HIS 608 Ca 0.00 0.97 0.02 0.00 0.25 0.00 0.00 55.06 56.30 3afl s HIS 608 Cb 0.00 0.29 -0.04 0.00 -1.18 0.00 0.00 32.58 31.65 3afl s HIS 608 CO 0.00 -0.91 0.15 0.08 -0.65 0.00 0.00 174.74 173.41 3afl s VAL 609 N 2.86 4.95 -0.16 0.89 1.01 -0.08 -2.07 120.40 127.80 3afl s VAL 609 Ca 0.14 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 3afl s VAL 609 Cb -0.09 -3.42 0.08 0.00 0.00 0.00 0.00 36.38 32.95 3afl s VAL 609 CO -0.25 0.10 0.27 -0.60 0.00 0.00 0.00 175.10 174.62 3afl s ARG 610 N -2.55 0.19 -0.04 2.72 3.52 -0.68 -1.22 118.95 120.89 3afl s ARG 610 Ca 0.32 0.62 0.05 0.00 -0.13 0.00 0.00 55.73 56.59 3afl s ARG 610 Cb -0.12 -0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 32.91 3afl s ARG 610 CO 0.25 -0.41 -0.18 0.42 -0.81 0.00 0.00 175.30 174.57 3afl s ILE 611 N 2.42 2.70 -0.11 4.11 1.09 -0.11 -1.61 121.20 129.69 3afl s ILE 611 Ca 0.04 -0.86 0.01 0.00 -1.10 0.00 0.00 60.65 58.73 3afl s ILE 611 Cb -0.13 -2.02 0.02 0.00 -1.06 0.00 0.00 42.46 39.27 3afl s ILE 611 CO -0.10 0.59 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.50 3afl s VAL 612 N -0.69 1.35 -0.03 2.92 1.01 -0.70 0.16 120.40 124.42 3afl s VAL 612 Ca 0.11 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.60 3afl s VAL 612 Cb -0.10 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3afl s VAL 612 CO -0.00 0.42 -0.17 -0.83 0.00 0.00 0.00 175.10 174.51 3afl s GLY 613 N 1.18 1.48 -0.34 4.51 0.00 0.22 0.30 107.32 114.68 3afl s GLY 613 Ca -0.03 -1.04 -0.06 0.00 0.00 0.00 0.00 44.72 43.59 3afl s GLY 613 CO -0.04 -0.84 0.10 -0.35 0.00 0.00 0.00 173.10 171.97 3afl s ASP 614 N -0.80 5.30 -0.30 1.64 -1.08 -0.43 -1.79 116.67 119.21 3afl s ASP 614 Ca 0.12 -1.16 0.09 0.00 -0.52 0.00 0.00 52.55 51.08 3afl s ASP 614 Cb -0.10 -1.86 0.55 0.00 -1.46 0.00 0.00 42.92 40.04 3afl s ASP 614 CO 0.01 -0.33 1.55 0.00 0.52 0.00 0.00 175.17 176.92 3afl n ALA 615 N 4.80 4.36 0.06 3.66 0.00 -0.76 -1.68 120.51 130.94 3afl n ALA 615 Ca -0.12 -2.95 -0.11 0.00 0.00 0.00 0.00 53.44 50.26 3afl n ALA 615 Cb 0.45 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 3afl n ALA 615 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3afl h THR 616 N 1.19 0.45 -0.64 0.00 2.02 -1.79 -2.56 112.91 111.58 3afl h THR 616 Ca 0.26 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.51 3afl h THR 616 Cb 1.87 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 68.67 3afl h THR 616 CO 0.50 0.00 0.34 0.00 0.37 0.00 0.00 175.52 176.73 3afl h ALA 617 N 0.48 0.86 -0.86 6.16 0.00 -1.87 -2.16 119.26 121.87 3afl h ALA 617 Ca 0.06 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.14 3afl h ALA 617 Cb 0.45 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 3afl h ALA 617 CO -0.21 -0.00 0.47 0.00 0.00 0.00 0.00 179.25 179.50 3afl h ALA 618 N 1.35 1.30 0.00 0.00 0.00 -1.04 -1.63 119.26 119.24 3afl h ALA 618 Ca 0.30 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 55.05 3afl h ALA 618 Cb 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3afl h ALA 618 CO -0.20 -0.04 -1.22 1.88 0.00 0.00 0.00 179.25 179.68 3afl h TYR 619 N 0.68 0.00 -0.54 0.00 0.05 -1.34 -3.26 116.97 112.56 3afl h TYR 619 Ca 0.46 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.19 3afl h TYR 619 Cb 0.61 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 3afl h TYR 619 CO -0.08 0.95 0.13 1.96 -1.05 0.00 0.00 178.16 180.08 3afl h GLN 620 N 0.00 0.83 -0.98 4.88 4.20 -0.65 -2.41 115.11 120.98 3afl h GLN 620 Ca -0.11 -0.17 0.14 0.00 0.06 0.00 0.00 58.65 58.57 3afl h GLN 620 Cb 1.82 -0.13 -0.09 0.00 0.30 0.00 0.00 27.48 29.39 3afl h GLN 620 CO 0.11 0.74 0.62 0.28 -0.67 0.00 0.00 178.83 179.91 3afl h VAL 621 N 0.80 0.87 -0.02 -0.54 2.07 -1.54 -1.10 116.25 116.78 3afl h VAL 621 Ca 0.18 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3afl h VAL 621 Cb 0.29 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3afl h VAL 621 CO -0.00 0.16 -0.26 0.00 0.02 0.00 0.00 177.57 177.49 3afl n ALA 622 N -2.36 3.06 -3.31 1.67 0.00 -1.16 -4.85 120.51 113.55 3afl n ALA 622 Ca 0.19 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 3afl n ALA 622 Cb 0.42 -0.75 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 3afl n ALA 622 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3afl s ASN 623 N -2.15 0.53 0.00 0.00 2.47 -0.42 -5.02 114.94 110.35 3afl s ASN 623 Ca 0.21 -0.51 0.15 0.00 0.42 0.00 0.00 52.86 53.13 3afl s ASN 623 Cb 0.18 1.03 0.75 0.00 -1.45 0.00 0.00 41.25 41.75 3afl s ASN 623 CO 0.43 -0.35 1.43 -2.65 -3.72 0.00 0.00 177.10 172.24 3afl n PRO 624 N 5.26 0.19 0.21 0.43 -0.02 -1.23 -2.88 135.00 136.96 3afl n PRO 624 Ca 0.01 0.16 0.12 0.00 -2.02 0.00 0.00 63.50 61.76 3afl n PRO 624 Cb 0.49 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.62 3afl n PRO 624 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3afl h LEU 625 N 0.00 0.00 -9.81 2.45 3.38 -1.95 -3.46 115.31 105.92 3afl h LEU 625 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3afl h LEU 625 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.91 3afl h LEU 625 CO 0.00 0.02 0.44 -0.69 0.09 0.00 0.00 178.44 178.30 3afl s VAL 626 N -3.21 3.66 0.00 1.22 1.01 -1.14 -0.62 120.40 121.31 3afl s VAL 626 Ca 0.06 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.66 3afl s VAL 626 Cb 0.05 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3afl s VAL 626 CO 0.68 0.35 0.00 0.00 0.00 0.00 0.00 175.10 176.13 3afl n GLN 627 N 1.10 1.48 -3.68 2.72 6.02 -0.37 -4.86 117.38 119.78 3afl n GLN 627 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.86 3afl n GLN 627 Cb 0.46 -0.79 -0.12 0.00 1.02 0.00 0.00 30.24 30.81 3afl n GLN 627 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3afl s LYS 628 N -1.58 0.22 -0.29 -1.09 2.36 -0.79 -4.98 119.74 113.59 3afl s LYS 628 Ca 0.00 0.77 -0.01 0.00 -2.55 0.00 0.00 55.97 54.18 3afl s LYS 628 Cb 0.00 0.02 0.09 0.00 -1.05 0.00 0.00 37.83 36.89 3afl s LYS 628 CO 0.00 -0.24 0.08 0.08 1.55 0.00 0.00 175.35 176.82 3afl s VAL 629 N 2.13 0.91 -0.05 4.02 1.01 -1.26 -0.57 120.40 126.59 3afl s VAL 629 Ca -0.03 -1.32 0.05 0.00 0.00 0.00 0.00 61.98 60.68 3afl s VAL 629 Cb -0.11 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 3afl s VAL 629 CO -0.10 -0.59 -0.19 -0.76 0.00 0.00 0.00 175.10 173.46 3afl s LEU 630 N 1.61 2.46 -0.07 3.92 1.43 0.38 -1.83 118.68 126.58 3afl s LEU 630 Ca 0.08 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 3afl s LEU 630 Cb -0.17 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3afl s LEU 630 CO -0.22 0.31 -0.18 -0.60 0.23 0.00 0.00 176.35 175.89 3afl s ARG 631 N -0.51 2.24 -0.11 1.70 3.52 -0.74 -0.40 118.95 124.66 3afl s ARG 631 Ca 0.07 -0.64 -0.03 0.00 -0.13 0.00 0.00 55.73 55.00 3afl s ARG 631 Cb -0.11 -1.79 -0.03 0.00 -1.56 0.00 0.00 34.95 31.45 3afl s ARG 631 CO 0.01 0.14 0.00 -1.21 -0.81 0.00 0.00 175.30 173.43 3afl s GLU 632 N 0.39 3.19 -0.12 5.12 2.02 0.81 -0.61 118.70 129.51 3afl s GLU 632 Ca -0.14 -0.41 0.03 0.00 0.02 0.00 0.00 54.97 54.47 3afl s GLU 632 Cb -0.16 -2.86 0.01 0.00 0.10 0.00 0.00 34.13 31.22 3afl s GLU 632 CO 0.05 0.59 -0.20 0.95 0.02 0.00 0.00 175.26 176.68 3afl s THR 633 N -0.58 1.85 -0.18 3.63 -4.23 0.12 -0.28 115.64 115.98 3afl s THR 633 Ca 0.10 -0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.71 3afl s THR 633 Cb -0.12 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.07 3afl s THR 633 CO 0.02 0.51 -0.08 -1.00 -0.54 0.00 0.00 174.62 173.54 3afl s HIS 634 N 0.73 2.91 -0.51 3.99 3.76 0.53 -0.94 115.29 125.77 3afl s HIS 634 Ca -0.10 -0.82 -0.16 0.00 -0.15 0.00 0.00 55.06 53.83 3afl s HIS 634 Cb -0.16 -2.00 0.10 0.00 1.11 0.00 0.00 32.58 31.63 3afl s HIS 634 CO 0.01 -0.41 0.45 0.12 -0.85 0.00 0.00 174.74 174.07 3afl s PHE 635 N 1.01 3.25 -0.25 1.40 5.36 -0.35 -1.46 117.98 126.93 3afl s PHE 635 Ca -0.00 -1.16 -0.13 0.00 -0.96 0.00 0.00 56.93 54.68 3afl s PHE 635 Cb -0.15 -3.52 -0.04 0.00 -0.34 0.00 0.00 43.02 38.98 3afl s PHE 635 CO -0.01 -0.92 0.30 0.08 -1.46 0.00 0.00 175.22 173.21 3afl s VAL 636 N 1.61 5.24 -1.36 3.12 1.01 0.42 -0.90 120.40 129.54 3afl s VAL 636 Ca 0.03 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 3afl s VAL 636 Cb -0.27 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.48 3afl s VAL 636 CO 0.04 0.22 0.41 -3.20 0.00 0.00 0.00 175.10 172.58 3afl n ASN 637 N 4.95 -1.68 -3.79 3.32 5.15 0.28 -2.15 115.26 121.35 3afl n ASN 637 Ca -0.11 -1.17 -0.24 0.00 -0.60 0.00 0.00 54.58 52.46 3afl n ASN 637 Cb 0.51 -2.28 -0.03 0.00 -0.53 0.00 0.00 39.78 37.45 3afl n ASN 637 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3afl n ASP 638 N -2.69 -0.82 0.00 1.20 9.92 -1.26 -4.61 116.55 118.29 3afl n ASP 638 Ca -0.23 -0.82 0.00 0.00 -0.53 0.00 0.00 54.79 53.21 3afl n ASP 638 Cb 0.64 -1.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 3afl n ASP 638 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3afl n SER 639 N -1.38 0.00 -3.69 -2.24 2.88 -0.91 -5.17 113.62 103.10 3afl n SER 639 Ca -0.15 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.25 3afl n SER 639 Cb 0.40 0.19 -0.07 0.00 -0.75 0.00 0.00 64.21 63.98 3afl n SER 639 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3afl s TYR 640 N -1.55 1.19 -0.02 0.66 -0.85 -1.10 -4.41 117.35 111.27 3afl s TYR 640 Ca 0.00 -1.34 0.04 0.00 -0.52 0.00 0.00 57.07 55.25 3afl s TYR 640 Cb 0.00 -0.37 -0.01 0.00 0.38 0.00 0.00 41.96 41.96 3afl s TYR 640 CO 0.00 -0.88 -0.14 -0.06 -1.52 0.00 0.00 175.55 172.94 3afl s PHE 641 N -3.65 1.30 -0.17 -3.49 0.08 0.90 -0.44 117.98 112.51 3afl s PHE 641 Ca 0.35 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 57.14 3afl s PHE 641 Cb 0.03 -0.85 0.02 0.00 -0.57 0.00 0.00 43.02 41.65 3afl s PHE 641 CO 0.18 -0.04 -0.20 0.08 -0.10 0.00 0.00 175.22 175.14 3afl s VAL 642 N -0.25 2.11 -0.20 -0.44 1.01 -0.54 0.64 120.40 122.73 3afl s VAL 642 Ca 0.04 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 3afl s VAL 642 Cb -0.06 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3afl s VAL 642 CO -0.00 0.54 -0.04 -0.63 0.00 0.00 0.00 175.10 174.97 3afl s ILE 643 N 1.18 3.58 -0.25 2.22 1.01 0.38 -0.35 121.20 128.98 3afl s ILE 643 Ca 0.02 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 3afl s ILE 643 Cb -0.14 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 3afl s ILE 643 CO -0.10 0.44 0.03 -0.69 0.00 0.00 0.00 174.94 174.62 3afl s VAL 644 N 1.13 3.87 -0.20 2.92 1.01 0.62 -1.26 120.40 128.49 3afl s VAL 644 Ca 0.02 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 3afl s VAL 644 Cb -0.15 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 3afl s VAL 644 CO 0.00 0.28 0.00 -1.81 0.00 0.00 0.00 175.10 173.57 3afl s ASP 645 N 1.53 4.91 -0.20 3.32 1.01 0.38 -0.13 116.67 127.50 3afl s ASP 645 Ca 0.05 -0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.14 3afl s ASP 645 Cb -0.16 -1.84 0.05 0.00 1.01 0.00 0.00 42.92 41.99 3afl s ASP 645 CO 0.01 0.08 -0.06 -1.61 0.21 0.00 0.00 175.17 173.80 3afl s GLU 646 N 0.89 1.56 -0.12 8.23 2.02 0.47 -0.71 118.70 131.04 3afl s GLU 646 Ca 0.01 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.29 3afl s GLU 646 Cb -0.14 -2.29 0.01 0.00 0.10 0.00 0.00 34.13 31.81 3afl s GLU 646 CO 0.02 -0.50 -0.17 0.08 0.02 0.00 0.00 175.26 174.70 3afl s VAL 647 N 1.52 1.69 -0.11 2.63 1.01 -0.74 -0.47 120.40 125.93 3afl s VAL 647 Ca -0.02 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3afl s VAL 647 Cb -0.17 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 3afl s VAL 647 CO -0.07 0.48 -0.19 -0.70 0.00 0.00 0.00 175.10 174.62 3afl s GLU 648 N 0.95 3.19 0.47 2.72 2.12 0.26 -0.22 118.70 128.18 3afl s GLU 648 Ca -0.06 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.51 3afl s GLU 648 Cb -0.15 -2.45 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 3afl s GLU 648 CO -0.02 0.21 0.01 0.00 -0.54 0.00 0.00 175.26 174.92 3afl n SER 650 N -1.16 1.21 -3.49 0.00 3.41 0.21 -4.86 113.62 108.93 3afl n SER 650 Ca -0.14 -1.23 -0.16 0.00 -0.26 0.00 0.00 58.87 57.09 3afl n SER 650 Cb 0.67 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.60 3afl n SER 650 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3afl s GLU 651 N -2.18 1.10 -0.27 4.33 2.02 -1.26 -5.08 118.70 117.36 3afl s GLU 651 Ca 0.34 0.03 -0.41 0.00 0.02 0.00 0.00 54.97 54.94 3afl s GLU 651 Cb 0.20 0.52 -0.17 0.00 0.10 0.00 0.00 34.13 34.78 3afl s GLU 651 CO 0.40 -0.39 1.61 -2.30 0.02 0.00 0.00 175.26 174.60 3afl n PRO 652 N 0.49 0.79 -4.01 0.39 -0.02 -1.26 -4.24 135.00 127.14 3afl n PRO 652 Ca -0.18 0.29 -0.22 0.00 -2.02 0.00 0.00 63.50 61.37 3afl n PRO 652 Cb 0.60 -1.91 -0.17 0.00 -0.02 0.00 0.00 33.50 32.00 3afl n PRO 652 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3afl s GLN 653 N 2.79 0.87 0.43 -0.52 -1.52 -0.70 -4.66 119.66 116.35 3afl s GLN 653 Ca 0.98 -0.06 -0.24 0.00 -1.95 0.00 0.00 55.36 54.09 3afl s GLN 653 Cb -1.18 -1.00 -0.10 0.00 -0.22 0.00 0.00 33.01 30.51 3afl s GLN 653 CO 0.67 -0.18 0.97 -1.91 -0.25 0.00 0.00 175.29 174.59 3afl n GLU 654 N 4.53 1.27 -5.02 2.91 2.13 -1.26 -2.33 120.64 122.87 3afl n GLU 654 Ca -0.17 0.46 -0.32 0.00 0.66 0.00 0.00 57.16 57.79 3afl n GLU 654 Cb 0.50 -2.01 -0.14 0.00 0.27 0.00 0.00 31.44 30.07 3afl n GLU 654 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3afl s LEU 655 N -0.44 2.50 -0.08 4.31 2.96 -0.71 -0.57 118.68 126.65 3afl s LEU 655 Ca 0.64 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3afl s LEU 655 Cb -0.55 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 44.68 3afl s LEU 655 CO 0.56 0.33 -0.08 -1.10 -1.32 0.00 0.00 176.35 174.75 3afl s GLN 656 N -0.72 1.33 -0.17 1.98 -0.21 0.26 -0.30 119.66 121.83 3afl s GLN 656 Ca 0.11 -0.23 -0.04 0.00 0.02 0.00 0.00 55.36 55.22 3afl s GLN 656 Cb -0.10 -1.31 -0.02 0.00 1.00 0.00 0.00 33.01 32.58 3afl s GLN 656 CO 0.00 -0.14 -0.04 -0.46 -2.12 0.00 0.00 175.29 172.53 3afl s TRP 657 N 1.25 3.00 -0.03 0.91 -0.00 0.20 0.77 118.94 125.04 3afl s TRP 657 Ca -0.04 -0.47 0.07 0.00 -0.00 0.00 0.00 56.10 55.66 3afl s TRP 657 Cb -0.14 -2.00 -0.02 0.00 -0.00 0.00 0.00 33.47 31.31 3afl s TRP 657 CO -0.02 -0.18 -0.24 -0.51 -0.00 0.00 0.00 176.95 175.99 3afl s LEU 658 N 0.70 2.05 -0.00 5.86 1.43 -0.72 -0.79 118.68 127.20 3afl s LEU 658 Ca -0.02 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3afl s LEU 658 Cb -0.14 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.79 3afl s LEU 658 CO 0.02 0.29 0.01 0.00 0.23 0.00 0.00 176.35 176.90 3afl s HIS 660 N -0.34 2.53 0.10 0.00 3.76 -1.26 -0.67 115.29 119.40 3afl s HIS 660 Ca -0.04 -0.47 0.01 0.00 -0.15 0.00 0.00 55.06 54.42 3afl s HIS 660 Cb -0.02 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 32.02 3afl s HIS 660 CO -0.00 -0.05 -0.05 0.95 -0.85 0.00 0.00 174.74 174.75 3afl s THR 661 N -0.40 0.58 -0.02 1.30 -4.23 0.39 -1.66 115.64 111.60 3afl s THR 661 Ca 0.04 -1.92 -0.24 0.00 -1.18 0.00 0.00 61.69 58.39 3afl s THR 661 Cb -0.12 -1.72 -0.17 0.00 1.34 0.00 0.00 72.50 71.83 3afl s THR 661 CO 0.02 -0.83 1.09 -0.07 -0.54 0.00 0.00 174.62 174.29 3afl h LEU 662 N 2.96 -0.20-10.58 4.79 3.38 -1.82 0.13 115.31 113.98 3afl h LEU 662 Ca -0.35 -0.32 -0.45 0.00 0.09 0.00 0.00 57.88 56.84 3afl h LEU 662 Cb 1.17 0.05 0.06 0.00 0.09 0.00 0.00 40.66 42.03 3afl h LEU 662 CO 0.64 0.28 0.06 -0.83 0.09 0.00 0.00 178.44 178.68 3afl s GLY 663 N -3.06 1.78 0.20 0.83 0.00 -1.26 -3.60 107.32 102.21 3afl s GLY 663 Ca -0.14 -1.38 -0.31 0.00 0.00 0.00 0.00 44.72 42.89 3afl s GLY 663 CO 0.55 -0.98 1.47 0.00 0.00 0.00 0.00 173.10 174.13 3afl s ALA 664 N -2.98 3.67 0.06 3.20 0.00 -1.26 -4.44 121.76 120.01 3afl s ALA 664 Ca 0.61 1.31 -0.14 0.00 0.00 0.00 0.00 51.96 53.73 3afl s ALA 664 Cb -0.09 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.40 3afl s ALA 664 CO 0.41 -0.73 0.46 -1.25 0.00 0.00 0.00 175.76 174.66 3afl s PRO 665 N 0.31 3.93 0.12 0.00 0.04 -1.26 -4.75 135.00 133.40 3afl s PRO 665 Ca 0.63 0.42 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 3afl s PRO 665 Cb -0.42 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 30.95 3afl s PRO 665 CO 0.38 0.61 0.52 -0.65 0.04 0.00 0.00 177.00 177.90 3afl s GLN 666 N -1.47 3.97 -0.08 4.56 1.11 -0.14 -4.84 119.66 122.76 3afl s GLN 666 Ca 0.30 0.47 0.03 0.00 0.01 0.00 0.00 55.36 56.17 3afl s GLN 666 Cb -0.16 -2.98 0.01 0.00 -1.01 0.00 0.00 33.01 28.87 3afl s GLN 666 CO 0.17 0.51 -0.18 0.95 0.01 0.00 0.00 175.29 176.75 3afl s THR 667 N -1.41 1.61 0.00 -0.19 -4.23 -1.26 -0.12 115.64 110.05 3afl s THR 667 Ca 0.36 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 3afl s THR 667 Cb -0.15 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.26 3afl s THR 667 CO 0.19 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 3afl n GLY 668 N 3.66 0.92 0.20 3.99 0.00 0.16 -4.95 105.19 109.17 3afl n GLY 668 Ca -0.21 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 43.70 3afl n GLY 668 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3afl h ARG 669 N 0.00 0.62 -0.31 1.61 2.43 -1.98 -3.36 114.38 113.39 3afl h ARG 669 Ca 0.00 -0.54 -0.23 0.00 -0.81 0.00 0.00 59.98 58.40 3afl h ARG 669 Cb 0.00 0.13 -0.39 0.00 -0.42 0.00 0.00 29.97 29.29 3afl h ARG 669 CO 0.00 1.16 -1.07 0.45 -1.51 0.00 0.00 179.97 179.00 3afl n SER 670 N -3.87 1.55 -3.24 -3.80 2.88 -1.26 -4.82 113.62 101.07 3afl n SER 670 Ca -0.07 -2.13 -0.09 0.00 -1.33 0.00 0.00 58.87 55.25 3afl n SER 670 Cb 0.77 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 3afl n SER 670 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3afl s SER 671 N -3.26 0.08 0.14 -3.46 1.04 -1.26 -1.72 113.70 105.25 3afl s SER 671 Ca 0.30 -1.07 -0.11 0.00 0.48 0.00 0.00 55.95 55.55 3afl s SER 671 Cb 0.35 0.78 0.00 0.00 0.10 0.00 0.00 66.02 67.25 3afl s SER 671 CO -0.08 -1.53 0.30 0.72 0.98 0.00 0.00 173.24 173.63 3afl s PHE 672 N -2.86 0.19 -0.10 5.02 -0.12 -0.34 0.40 117.98 120.16 3afl s PHE 672 Ca 0.17 -0.56 -0.05 0.00 -0.05 0.00 0.00 56.93 56.44 3afl s PHE 672 Cb -0.04 0.03 0.05 0.00 -0.63 0.00 0.00 43.02 42.43 3afl s PHE 672 CO 0.12 -0.69 0.23 0.50 -0.05 0.00 0.00 175.22 175.33 3afl s ARG 673 N -3.90 0.18 -0.08 1.99 3.52 0.83 -2.14 118.95 119.35 3afl s ARG 673 Ca 0.11 0.51 0.04 0.00 -0.13 0.00 0.00 55.73 56.25 3afl s ARG 673 Cb 0.03 -0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 3afl s ARG 673 CO -0.05 -0.17 -0.19 -0.47 -0.81 0.00 0.00 175.30 173.61 3afl s TYR 674 N 1.31 2.05 -0.24 5.12 5.04 -0.21 -0.97 117.35 129.45 3afl s TYR 674 Ca -0.09 -0.77 0.02 0.00 -2.44 0.00 0.00 57.07 53.80 3afl s TYR 674 Cb -0.11 -1.40 0.05 0.00 0.35 0.00 0.00 41.96 40.85 3afl s TYR 674 CO -0.08 -0.32 -0.14 -0.80 -1.34 0.00 0.00 175.55 172.87 3afl s ASN 675 N 0.37 4.07 0.00 4.32 0.01 -1.26 -0.59 114.94 121.86 3afl s ASN 675 Ca -0.14 -1.18 0.00 0.00 -0.71 0.00 0.00 52.86 50.82 3afl s ASN 675 Cb -0.16 -1.53 0.00 0.00 0.41 0.00 0.00 41.25 39.97 3afl s ASN 675 CO 0.06 -0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 3afl n GLY 676 N 4.49 -0.16 0.19 0.66 0.00 0.22 -4.96 105.19 105.62 3afl n GLY 676 Ca -0.16 -1.58 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 3afl n GLY 676 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3afl h ARG 677 N 0.00 0.63 0.00 1.61 3.08 -1.99 -3.39 114.38 114.32 3afl h ARG 677 Ca 0.00 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3afl h ARG 677 Cb 0.00 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3afl h ARG 677 CO 0.00 1.12 0.00 0.36 -1.07 0.00 0.00 179.97 180.38 3afl n LYS 678 N -4.13 3.50 -3.96 0.04 2.85 -1.26 -5.01 118.16 110.18 3afl n LYS 678 Ca -0.08 -0.08 -0.08 0.00 -1.05 0.00 0.00 58.31 57.02 3afl n LYS 678 Cb 0.64 -0.47 -0.09 0.00 -0.65 0.00 0.00 35.03 34.47 3afl n LYS 678 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3afl s ALA 679 N -0.52 0.10 0.31 0.58 0.00 -1.26 -1.76 121.76 119.21 3afl s ALA 679 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 3afl s ALA 679 Cb 0.00 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.51 3afl s ALA 679 CO 0.00 -0.44 0.55 0.20 0.00 0.00 0.00 175.76 176.07 3afl s GLY 680 N -2.85 0.80 0.14 0.00 0.00 -0.63 0.69 107.32 105.46 3afl s GLY 680 Ca 0.05 -1.04 -0.15 0.00 0.00 0.00 0.00 44.72 43.58 3afl s GLY 680 CO -0.10 -0.66 0.40 -0.11 0.00 0.00 0.00 173.10 172.62 3afl s PHE 681 N -3.34 -0.10 0.11 1.90 -0.12 0.25 -0.61 117.98 116.07 3afl s PHE 681 Ca 0.23 -0.24 0.05 0.00 -0.05 0.00 0.00 56.93 56.93 3afl s PHE 681 Cb -0.02 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 3afl s PHE 681 CO 0.13 -0.73 -0.13 1.52 -0.05 0.00 0.00 175.22 175.96 3afl s TYR 682 N -3.84 1.31 -0.04 3.49 -0.85 -0.22 -1.05 117.35 116.16 3afl s TYR 682 Ca 0.06 -0.57 0.04 0.00 -0.52 0.00 0.00 57.07 56.07 3afl s TYR 682 Cb 0.02 -0.69 -0.00 0.00 0.38 0.00 0.00 41.96 41.66 3afl s TYR 682 CO -0.09 0.11 -0.15 0.20 -1.52 0.00 0.00 175.55 174.10 3afl s GLY 683 N -2.41 0.80 -0.10 5.49 0.00 -0.91 -0.46 107.32 109.73 3afl s GLY 683 Ca 0.07 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.21 3afl s GLY 683 CO 0.02 -0.30 -0.09 1.62 0.00 0.00 0.00 173.10 174.36 3afl s GLN 684 N 0.05 1.60 -0.79 2.90 0.74 0.62 -1.20 119.66 123.57 3afl s GLN 684 Ca -0.03 -0.31 -0.24 0.00 0.05 0.00 0.00 55.36 54.83 3afl s GLN 684 Cb -0.10 -1.55 0.05 0.00 1.10 0.00 0.00 33.01 32.51 3afl s GLN 684 CO 0.01 -0.19 1.21 -0.06 -0.55 0.00 0.00 175.29 175.72 3afl s PHE 685 N 1.41 2.52 -0.26 1.67 0.08 -0.70 -0.10 117.98 122.60 3afl s PHE 685 Ca -0.00 -0.47 0.19 0.00 0.12 0.00 0.00 56.93 56.77 3afl s PHE 685 Cb -0.13 -4.52 0.11 0.00 -0.57 0.00 0.00 43.02 37.90 3afl s PHE 685 CO -0.05 -1.88 1.32 -0.39 -0.10 0.00 0.00 175.22 174.12 3afl h VAL 686 N 6.15 0.35 -2.34 -0.44 -1.51 -1.23 -3.46 116.25 113.76 3afl h VAL 686 Ca -0.15 -1.54 -0.05 0.00 -1.23 0.00 0.00 66.70 63.73 3afl h VAL 686 Cb 1.05 2.04 -0.24 0.00 -2.13 0.00 0.00 31.29 32.00 3afl h VAL 686 CO 1.27 0.20 -0.15 -0.47 -1.23 0.00 0.00 177.57 177.18 3afl s TYR 687 N -3.12 -0.83 -0.29 5.19 5.04 -1.21 -5.01 117.35 117.12 3afl s TYR 687 Ca 0.03 1.69 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 3afl s TYR 687 Cb 0.07 0.44 0.14 0.00 0.35 0.00 0.00 41.96 42.97 3afl s TYR 687 CO 0.74 -0.44 0.33 0.45 -1.34 0.00 0.00 175.55 175.29 3afl s SER 688 N 1.55 1.34 0.54 4.32 0.15 -1.25 -0.33 113.70 120.02 3afl s SER 688 Ca -0.10 -0.66 0.23 0.00 0.70 0.00 0.00 55.95 56.12 3afl s SER 688 Cb -0.07 0.67 1.44 0.00 -1.71 0.00 0.00 66.02 66.35 3afl s SER 688 CO -0.16 -0.38 2.10 0.77 1.20 0.00 0.00 173.24 176.77 3afl h SER 689 N 8.24 0.00 -0.02 5.45 4.64 -1.71 -0.18 113.55 129.96 3afl h SER 689 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3afl h SER 689 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3afl h SER 689 CO 0.32 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 3afl n GLY 690 N -1.52 -0.81 0.00 -0.77 0.00 -1.26 -4.93 105.19 95.89 3afl n GLY 690 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3afl n GLY 690 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3afl n GLY 691 N 0.86 1.88 3.70 -0.02 0.00 -0.08 -4.28 105.19 107.25 3afl n GLY 691 Ca 0.15 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3afl n GLY 691 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3afl s THR 692 N -2.08 3.83 0.11 2.61 -4.23 -1.26 -4.68 115.64 109.94 3afl s THR 692 Ca 0.00 1.26 -0.30 0.00 -1.18 0.00 0.00 61.69 61.47 3afl s THR 692 Cb 0.00 -3.81 -0.06 0.00 1.34 0.00 0.00 72.50 69.97 3afl s THR 692 CO 0.00 0.05 1.06 -2.84 -0.54 0.00 0.00 174.62 172.35 3afl s PRO 693 N 1.69 4.59 0.05 3.99 0.02 -1.26 -4.73 135.00 139.36 3afl s PRO 693 Ca 0.61 1.61 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 3afl s PRO 693 Cb -0.31 -3.34 -0.05 0.00 0.02 0.00 0.00 34.50 30.82 3afl s PRO 693 CO 0.27 0.04 1.10 -0.65 -0.33 0.00 0.00 177.00 177.43 3afl s GLN 694 N 0.17 4.51 -0.19 5.54 -1.52 -0.46 -4.74 119.66 122.96 3afl s GLN 694 Ca 0.51 1.62 -0.03 0.00 -1.95 0.00 0.00 55.36 55.51 3afl s GLN 694 Cb -0.26 -3.38 -0.01 0.00 -0.22 0.00 0.00 33.01 29.13 3afl s GLN 694 CO 0.31 -0.13 -0.07 0.42 -0.25 0.00 0.00 175.29 175.57 3afl s ILE 695 N 0.88 3.25 0.07 1.08 1.01 -1.26 -0.94 121.20 125.29 3afl s ILE 695 Ca 0.55 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.74 3afl s ILE 695 Cb -0.26 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 3afl s ILE 695 CO 0.29 0.46 -0.25 -0.44 0.00 0.00 0.00 174.94 175.00 3afl s SER 696 N 1.16 3.32 -0.27 3.58 0.01 -1.00 -4.98 113.70 115.53 3afl s SER 696 Ca 0.02 -0.60 -0.09 0.00 1.31 0.00 0.00 55.95 56.58 3afl s SER 696 Cb -0.14 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.72 3afl s SER 696 CO -0.02 0.24 0.14 0.00 0.41 0.00 0.00 173.24 174.01 3afl s ALA 697 N -0.90 3.35 -0.15 1.44 0.00 -1.26 -0.23 121.76 124.01 3afl s ALA 697 Ca 0.13 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 3afl s ALA 697 Cb -0.10 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 3afl s ALA 697 CO 0.04 -0.57 0.13 0.08 0.00 0.00 0.00 175.76 175.44 3afl s VAL 698 N 1.69 5.42 0.30 0.00 1.01 0.73 -4.99 120.40 124.56 3afl s VAL 698 Ca 0.07 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 3afl s VAL 698 Cb -0.16 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 3afl s VAL 698 CO 0.07 0.55 0.58 -1.61 0.00 0.00 0.00 175.10 174.70 3afl s GLU 699 N -0.45 3.68 3.14 2.72 2.02 -1.26 -1.87 118.70 126.67 3afl s GLU 699 Ca 0.12 0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.22 3afl s GLU 699 Cb -0.12 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.51 3afl s GLU 699 CO 0.02 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.90 3afl n GLY 700 N -0.88 0.04 2.50 -1.39 0.00 -0.84 -4.63 105.19 99.98 3afl n GLY 700 Ca -0.01 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 3afl n GLY 700 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3afl s PHE 701 N 0.00 1.43 0.40 1.61 0.08 -1.26 -4.72 117.98 115.52 3afl s PHE 701 Ca 0.00 -2.36 -0.27 0.00 0.12 0.00 0.00 56.93 54.43 3afl s PHE 701 Cb 0.00 -1.23 -0.10 0.00 -0.57 0.00 0.00 43.02 41.12 3afl s PHE 701 CO 0.00 -0.79 1.39 -2.30 -0.10 0.00 0.00 175.22 173.43 3afl n PRO 702 N 2.98 2.32 0.00 0.24 -0.02 -1.26 -1.71 135.00 137.54 3afl n PRO 702 Ca 0.24 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 3afl n PRO 702 Cb 0.43 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3afl n PRO 702 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3afl n ASP 703 N 0.29 0.00 -4.67 2.55 8.00 -1.26 -5.00 116.55 116.47 3afl n ASP 703 Ca 0.04 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.12 3afl n ASP 703 Cb 0.39 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 3afl n ASP 703 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3afl s ILE 704 N -1.83 4.80 -0.43 0.53 -1.09 -0.70 -4.97 121.20 117.51 3afl s ILE 704 Ca 0.00 1.84 -0.42 0.00 -2.23 0.00 0.00 60.65 59.84 3afl s ILE 704 Cb 0.00 -4.23 -0.17 0.00 -1.58 0.00 0.00 42.46 36.49 3afl s ILE 704 CO 0.00 -0.05 2.02 -0.67 -1.23 0.00 0.00 174.94 175.02 3afl n ASP 705 N 5.55 1.39 0.32 3.58 -0.08 -1.26 -4.81 116.55 121.25 3afl n ASP 705 Ca 0.08 0.74 0.19 0.00 -1.51 0.00 0.00 54.79 54.29 3afl n ASP 705 Cb 0.48 -1.02 1.02 0.00 2.34 0.00 0.00 41.12 43.93 3afl n ASP 705 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3afl h PRO 706 N 9.05 0.00 -0.19 -0.67 0.13 -1.94 -1.80 132.00 136.59 3afl h PRO 706 Ca -0.24 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.76 3afl h PRO 706 Cb 1.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 3afl h PRO 706 CO 1.04 0.00 -0.43 0.87 -0.23 0.00 0.00 178.00 179.25 3afl h LYS 707 N 0.00 0.45 0.00 0.86 1.57 -1.99 -2.95 116.57 114.52 3afl h LYS 707 Ca 0.01 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 3afl h LYS 707 Cb 0.32 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3afl h LYS 707 CO -0.00 0.80 -0.14 0.93 -0.57 0.00 0.00 179.45 180.47 3afl h GLU 708 N 0.37 0.00 0.00 3.15 5.08 -1.70 -2.49 114.58 118.99 3afl h GLU 708 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3afl h GLU 708 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 3afl h GLU 708 CO 0.08 0.14 -0.11 1.97 -1.00 0.00 0.00 179.01 180.09 3afl n PHE 709 N -3.83 0.00 -1.72 4.33 1.16 -1.23 -4.91 117.46 111.25 3afl n PHE 709 Ca -0.02 -1.10 -0.43 0.00 -1.87 0.00 0.00 57.45 54.03 3afl n PHE 709 Cb 0.24 -0.17 -0.02 0.00 -1.61 0.00 0.00 39.48 37.92 3afl n PHE 709 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 3afl n GLU 710 N -1.37 2.53 -1.58 3.97 2.13 -0.94 -1.15 120.64 124.22 3afl n GLU 710 Ca 0.17 0.90 -0.16 0.00 0.66 0.00 0.00 57.16 58.72 3afl n GLU 710 Cb 0.65 -2.65 -0.06 0.00 0.27 0.00 0.00 31.44 29.65 3afl n GLU 710 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3afl n GLY 711 N 2.29 1.39 3.60 8.31 0.00 -1.26 -5.01 105.19 114.51 3afl n GLY 711 Ca 0.10 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 3afl n GLY 711 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3afl s LEU 712 N -3.85 3.07 -0.09 0.99 1.43 -0.30 -5.10 118.68 114.81 3afl s LEU 712 Ca 0.00 -0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 3afl s LEU 712 Cb 0.00 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 3afl s LEU 712 CO 0.00 0.05 1.39 -1.81 0.23 0.00 0.00 176.35 176.21 3afl s ASP 713 N -3.31 6.86 0.08 2.29 1.01 -1.26 -5.00 116.67 117.34 3afl s ASP 713 Ca 0.29 1.94 -0.31 0.00 0.71 0.00 0.00 52.55 55.17 3afl s ASP 713 Cb -0.07 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 3afl s ASP 713 CO 0.18 -0.78 1.33 0.27 0.21 0.00 0.00 175.17 176.37 3afl s ILE 714 N 3.32 3.59 0.72 0.77 -4.36 -1.26 -5.03 121.20 118.95 3afl s ILE 714 Ca 0.62 1.13 -0.08 0.00 -0.26 0.00 0.00 60.65 62.05 3afl s ILE 714 Cb -0.27 -3.72 0.06 0.00 1.25 0.00 0.00 42.46 39.78 3afl s ILE 714 CO 0.22 0.08 1.05 -1.00 0.24 0.00 0.00 174.94 175.52 3afl s HIS 715 N 1.25 2.98 0.35 1.37 3.76 -1.26 -4.82 115.29 118.91 3afl s HIS 715 Ca 0.63 0.57 0.06 0.00 -0.15 0.00 0.00 55.06 56.17 3afl s HIS 715 Cb -0.34 -3.23 -0.07 0.00 1.11 0.00 0.00 32.58 30.06 3afl s HIS 715 CO 0.29 -1.44 0.00 -1.01 -0.85 0.00 0.00 174.74 171.73 3afl s HIS 716 N -3.32 2.22 -0.05 1.40 0.09 0.46 -1.99 115.29 114.10 3afl s HIS 716 Ca 0.60 -0.75 -0.26 0.00 -0.00 0.00 0.00 55.06 54.65 3afl s HIS 716 Cb -0.11 -1.45 0.06 0.00 -0.00 0.00 0.00 32.58 31.08 3afl s HIS 716 CO 0.46 0.28 0.57 -3.38 -0.00 0.00 0.00 174.74 172.68 3afl s HIS 717 N -2.95 -0.52 0.23 1.40 -3.43 -0.78 -0.46 115.29 108.77 3afl s HIS 717 Ca 0.34 0.91 -0.04 0.00 -0.80 0.00 0.00 55.06 55.47 3afl s HIS 717 Cb 0.08 0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 31.49 3afl s HIS 717 CO 0.16 -0.53 0.47 0.54 -2.00 0.00 0.00 174.74 173.38 3afl s VAL 718 N -1.16 5.09 -0.36 -5.38 0.11 0.15 -0.19 120.40 118.67 3afl s VAL 718 Ca -0.11 -0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 58.92 3afl s VAL 718 Cb -0.02 -3.70 0.13 0.00 -1.53 0.00 0.00 36.38 31.27 3afl s VAL 718 CO 0.08 -0.18 0.20 0.00 -3.33 0.00 0.00 175.10 171.87 3afl s ALA 720 N 1.10 3.44 -0.32 0.00 0.00 0.03 -2.37 121.76 123.63 3afl s ALA 720 Ca 0.17 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 3afl s ALA 720 Cb -0.22 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.51 3afl s ALA 720 CO -0.04 -1.48 0.04 0.99 0.00 0.00 0.00 175.76 175.27 3afl s THR 721 N 3.25 3.32 0.01 0.00 2.01 -0.11 0.62 115.64 124.73 3afl s THR 721 Ca 0.35 -1.29 -0.25 0.00 0.31 0.00 0.00 61.69 60.81 3afl s THR 721 Cb -0.13 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 3afl s THR 721 CO 0.17 -0.14 0.77 -0.69 -0.69 0.00 0.00 174.62 174.04 3afl s VAL 722 N 1.31 4.83 0.85 3.82 1.01 0.58 -1.35 120.40 131.46 3afl s VAL 722 Ca -0.04 1.63 -0.12 0.00 0.00 0.00 0.00 61.98 63.45 3afl s VAL 722 Cb -0.20 -4.12 0.10 0.00 0.00 0.00 0.00 36.38 32.16 3afl s VAL 722 CO 0.00 0.31 1.11 -2.65 0.00 0.00 0.00 175.10 173.87 3afl n PRO 723 N 3.19 -0.06 -1.55 2.72 -0.02 -1.26 -1.73 135.00 136.28 3afl n PRO 723 Ca -0.01 0.06 -0.48 0.00 -2.02 0.00 0.00 63.50 61.04 3afl n PRO 723 Cb 0.51 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3afl n PRO 723 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3afl n ALA 724 N -3.60 -1.09 -3.54 3.55 0.00 -1.26 -4.50 120.51 110.06 3afl n ALA 724 Ca 0.12 0.45 -0.16 0.00 0.00 0.00 0.00 53.44 53.86 3afl n ALA 724 Cb 0.51 -1.96 -0.06 0.00 0.00 0.00 0.00 19.45 17.94 3afl n ALA 724 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3afl s ALA 725 N -0.45 -1.81 -1.00 0.00 0.00 -0.98 -4.72 121.76 112.79 3afl s ALA 725 Ca 0.70 1.43 0.26 0.00 0.00 0.00 0.00 51.96 54.35 3afl s ALA 725 Cb -0.86 -0.26 0.65 0.00 0.00 0.00 0.00 23.12 22.66 3afl s ALA 725 CO 0.54 -0.35 1.52 0.25 0.00 0.00 0.00 175.76 177.72 3afl n THR 726 N 1.00 0.00 -3.91 0.00 -2.24 -1.26 -1.72 114.28 106.16 3afl n THR 726 Ca -0.17 -0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.40 3afl n THR 726 Cb 0.57 0.10 -0.17 0.00 -2.10 0.00 0.00 70.33 68.73 3afl n THR 726 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3afl s ARG 727 N -3.00 0.63 -0.08 -0.78 6.06 -1.26 -1.71 118.95 118.80 3afl s ARG 727 Ca 0.12 0.04 0.04 0.00 -2.50 0.00 0.00 55.73 53.43 3afl s ARG 727 Cb 0.18 -0.86 0.00 0.00 0.06 0.00 0.00 34.95 34.33 3afl s ARG 727 CO 0.67 -0.21 -0.21 -1.01 -2.50 0.00 0.00 175.30 172.03 3afl s HIS 728 N 1.53 2.21 -0.40 5.12 3.76 0.69 -4.35 115.29 123.84 3afl s HIS 728 Ca -0.02 -0.84 0.01 0.00 -0.15 0.00 0.00 55.06 54.07 3afl s HIS 728 Cb -0.13 -1.49 0.14 0.00 1.11 0.00 0.00 32.58 32.20 3afl s HIS 728 CO -0.03 -0.34 0.22 0.50 -0.85 0.00 0.00 174.74 174.24 3afl s ARG 729 N 0.32 0.98 -0.15 1.40 3.52 -1.26 -1.78 118.95 121.98 3afl s ARG 729 Ca -0.15 -1.71 -0.07 0.00 -0.13 0.00 0.00 55.73 53.68 3afl s ARG 729 Cb -0.16 -1.93 -0.04 0.00 -1.56 0.00 0.00 34.95 31.26 3afl s ARG 729 CO 0.06 -1.17 0.08 -1.17 -0.81 0.00 0.00 175.30 172.29 3afl s LEU 730 N 0.68 3.98 -0.11 -0.88 2.96 0.11 -1.82 118.68 123.61 3afl s LEU 730 Ca 0.17 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.32 3afl s LEU 730 Cb -0.24 -1.99 0.01 0.00 0.50 0.00 0.00 46.19 44.48 3afl s LEU 730 CO -0.00 0.27 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.45 3afl s VAL 731 N -0.21 1.52 -0.14 1.68 1.01 0.55 -0.47 120.40 124.34 3afl s VAL 731 Ca 0.09 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3afl s VAL 731 Cb -0.12 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3afl s VAL 731 CO 0.01 0.44 -0.16 -0.89 0.00 0.00 0.00 175.10 174.51 3afl s THR 732 N 0.96 1.64 -0.13 3.92 2.01 -0.39 -0.75 115.64 122.90 3afl s THR 732 Ca -0.07 -0.70 -0.20 0.00 0.31 0.00 0.00 61.69 61.03 3afl s THR 732 Cb -0.15 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 3afl s THR 732 CO -0.01 0.47 0.58 -0.22 -0.69 0.00 0.00 174.62 174.75 3afl s LEU 733 N 1.22 4.25 -0.21 4.42 2.96 0.86 -0.47 118.68 131.71 3afl s LEU 733 Ca -0.00 0.92 0.01 0.00 -0.22 0.00 0.00 54.13 54.83 3afl s LEU 733 Cb -0.14 -2.86 0.03 0.00 0.50 0.00 0.00 46.19 43.72 3afl s LEU 733 CO -0.07 -0.12 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.94 3afl s LEU 734 N 1.07 2.61 -0.30 -0.68 1.43 0.21 -0.28 118.68 122.74 3afl s LEU 734 Ca 0.30 -0.83 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3afl s LEU 734 Cb -0.16 -1.54 0.09 0.00 0.03 0.00 0.00 46.19 44.61 3afl s LEU 734 CO 0.13 -0.06 0.00 -0.69 0.23 0.00 0.00 176.35 175.96 3afl s VAL 735 N 1.26 2.02 0.59 -1.59 1.01 0.39 -0.07 120.40 124.02 3afl s VAL 735 Ca 0.01 -1.95 -0.12 0.00 0.00 0.00 0.00 61.98 59.93 3afl s VAL 735 Cb -0.15 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 3afl s VAL 735 CO -0.09 -0.41 1.01 -2.16 0.00 0.00 0.00 175.10 173.45 3afl s PRO 736 N 1.08 3.68 -0.04 2.72 0.04 -1.26 -1.06 135.00 140.16 3afl s PRO 736 Ca 0.04 0.78 -0.29 0.00 0.04 0.00 0.00 61.00 61.57 3afl s PRO 736 Cb -0.19 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.34 3afl s PRO 736 CO -0.09 -0.49 0.80 1.52 0.04 0.00 0.00 177.00 178.79 3afl s TYR 737 N -3.04 -0.49 0.10 0.56 -0.85 0.22 -4.76 117.35 109.10 3afl s TYR 737 Ca 0.56 0.65 -0.31 0.00 -0.52 0.00 0.00 57.07 57.45 3afl s TYR 737 Cb -0.11 0.47 -0.08 0.00 0.38 0.00 0.00 41.96 42.63 3afl s TYR 737 CO 0.49 -0.56 1.41 0.45 -1.52 0.00 0.00 175.55 175.82 3afl s SER 738 N -1.71 6.80 0.29 -0.18 0.15 -1.26 -1.61 113.70 116.19 3afl s SER 738 Ca -0.03 2.32 0.03 0.00 0.70 0.00 0.00 55.95 58.97 3afl s SER 738 Cb -0.01 -2.58 0.65 0.00 -1.71 0.00 0.00 66.02 62.37 3afl s SER 738 CO -0.00 -0.68 1.78 -0.07 1.20 0.00 0.00 173.24 175.47 3afl h LEU 739 N 7.11 0.75 -0.79 3.45 3.38 -1.66 0.34 115.31 127.90 3afl h LEU 739 Ca -0.42 0.09 0.17 0.00 0.09 0.00 0.00 57.88 57.81 3afl h LEU 739 Cb 1.20 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.79 3afl h LEU 739 CO 0.88 0.31 0.27 0.11 0.09 0.00 0.00 178.44 180.09 3afl h LYS 740 N 0.78 0.34 -2.59 1.13 1.57 -1.93 -3.35 116.57 112.53 3afl h LYS 740 Ca 0.54 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 58.69 3afl h LYS 740 Cb 0.76 -0.08 -0.41 0.00 0.08 0.00 0.00 32.23 32.58 3afl h LYS 740 CO -0.36 0.23 -0.67 0.39 -0.57 0.00 0.00 179.45 178.47 3afl n GLU 741 N -5.09 1.79 -1.96 3.15 1.02 0.10 -5.10 120.64 114.55 3afl n GLU 741 Ca 0.17 -4.29 -0.41 0.00 -0.02 0.00 0.00 57.16 52.61 3afl n GLU 741 Cb 0.51 -2.11 -0.01 0.00 -0.02 0.00 0.00 31.44 29.81 3afl n GLU 741 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3afl s PRO 742 N -1.63 4.23 0.14 3.49 0.02 -1.19 -4.25 135.00 135.82 3afl s PRO 742 Ca 0.32 2.40 0.07 0.00 0.02 0.00 0.00 61.00 63.81 3afl s PRO 742 Cb 0.05 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.52 3afl s PRO 742 CO -0.11 -0.36 -0.06 0.15 -0.33 0.00 0.00 177.00 176.28 3afl s LYS 743 N -1.95 2.22 -0.05 5.54 -0.14 -1.26 -5.07 119.74 119.03 3afl s LYS 743 Ca 0.51 -1.10 -0.02 0.00 -1.36 0.00 0.00 55.97 54.01 3afl s LYS 743 Cb -0.43 -2.30 0.03 0.00 -1.68 0.00 0.00 37.83 33.45 3afl s LYS 743 CO 0.58 0.48 0.09 0.50 -0.76 0.00 0.00 175.35 176.24 3afl s ARG 744 N -2.59 0.03 -0.04 1.68 6.06 -1.26 -5.00 118.95 117.84 3afl s ARG 744 Ca 0.24 0.30 0.02 0.00 -2.50 0.00 0.00 55.73 53.79 3afl s ARG 744 Cb -0.10 -0.22 -0.03 0.00 0.06 0.00 0.00 34.95 34.66 3afl s ARG 744 CO 0.16 -0.17 -0.08 0.42 -2.50 0.00 0.00 175.30 173.13 3afl s ILE 745 N 1.17 3.62 -0.09 4.11 -1.09 -1.26 -4.34 121.20 123.32 3afl s ILE 745 Ca -0.09 -0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 57.71 3afl s ILE 745 Cb -0.12 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.21 3afl s ILE 745 CO -0.05 0.52 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.82 3afl s PHE 746 N -0.87 3.13 0.17 3.97 0.08 0.09 -4.96 117.98 119.58 3afl s PHE 746 Ca 0.14 0.15 0.07 0.00 0.12 0.00 0.00 56.93 57.41 3afl s PHE 746 Cb -0.11 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 3afl s PHE 746 CO 0.04 0.43 -0.15 -1.54 -0.10 0.00 0.00 175.22 173.89 3afl s SER 747 N -0.79 2.37 -0.14 1.36 1.04 -1.26 -0.49 113.70 115.79 3afl s SER 747 Ca 0.12 -0.92 -0.09 0.00 0.48 0.00 0.00 55.95 55.55 3afl s SER 747 Cb -0.11 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 65.94 3afl s SER 747 CO 0.02 -0.14 0.34 0.12 0.98 0.00 0.00 173.24 174.56 3afl s PHE 748 N -2.53 -0.46 -0.24 5.02 5.36 0.11 -4.97 117.98 120.27 3afl s PHE 748 Ca 0.16 1.03 -0.07 0.00 -0.96 0.00 0.00 56.93 57.10 3afl s PHE 748 Cb -0.03 0.16 -0.03 0.00 -0.34 0.00 0.00 43.02 42.78 3afl s PHE 748 CO 0.05 -0.27 0.06 0.42 -1.46 0.00 0.00 175.22 174.02 3afl s ILE 749 N 1.04 4.27 -0.90 3.12 1.01 -1.26 0.68 121.20 129.17 3afl s ILE 749 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3afl s ILE 749 Cb -0.07 -2.99 0.28 0.00 0.01 0.00 0.00 42.46 39.69 3afl s ILE 749 CO -0.08 0.36 1.15 -0.67 0.00 0.00 0.00 174.94 175.70 3afl n ASP 750 N 4.77 5.25 0.12 3.58 2.03 0.16 -4.93 116.55 127.53 3afl n ASP 750 Ca -0.16 -3.41 -0.09 0.00 0.52 0.00 0.00 54.79 51.65 3afl n ASP 750 Cb 0.51 -1.02 -0.05 0.00 -0.72 0.00 0.00 41.12 39.84 3afl n ASP 750 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 3afl h ASP 751 N 4.97 -0.32 -0.88 1.67 1.82 -1.86 -2.63 116.42 119.19 3afl h ASP 751 Ca 0.20 -0.14 -0.77 0.00 -0.39 0.00 0.00 57.03 55.93 3afl h ASP 751 Cb 0.64 0.08 0.01 0.00 0.68 0.00 0.00 39.33 40.75 3afl h ASP 751 CO 1.11 0.17 0.58 1.67 -1.61 0.00 0.00 179.24 181.16 3afl n GLN 752 N -5.03 0.00 0.00 0.28 7.27 -1.26 -4.21 117.38 114.43 3afl n GLN 752 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 3afl n GLN 752 Cb 0.22 -1.32 0.00 0.00 2.41 0.00 0.00 30.24 31.56 3afl n GLN 752 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3afl n GLY 753 N 3.41 2.02 0.08 1.69 0.00 -1.26 -4.92 105.19 106.21 3afl n GLY 753 Ca 0.27 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 3afl n GLY 753 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3afl h PHE 754 N 0.00 -0.09 -3.19 1.61 0.04 -1.98 -3.43 116.94 109.91 3afl h PHE 754 Ca 0.00 0.01 -0.64 0.00 2.80 0.00 0.00 57.97 60.14 3afl h PHE 754 Cb 0.00 0.05 -0.09 0.00 2.20 0.00 0.00 35.95 38.11 3afl h PHE 754 CO 0.00 -0.06 -0.60 -1.54 -0.60 0.00 0.00 178.31 175.51 3afl s SER 755 N -5.16 5.52 -0.51 2.17 1.04 -1.26 -3.85 113.70 111.65 3afl s SER 755 Ca -0.13 -0.01 -0.22 0.00 0.48 0.00 0.00 55.95 56.06 3afl s SER 755 Cb 0.08 -1.48 0.04 0.00 0.10 0.00 0.00 66.02 64.76 3afl s SER 755 CO 0.67 0.18 0.81 0.28 0.98 0.00 0.00 173.24 176.15 3afl s THR 756 N -1.38 4.59 0.00 2.02 -1.32 0.63 -4.74 115.64 115.45 3afl s THR 756 Ca 0.29 0.12 -0.19 0.00 -1.21 0.00 0.00 61.69 60.71 3afl s THR 756 Cb -0.12 -4.41 -0.06 0.00 -1.51 0.00 0.00 72.50 66.40 3afl s THR 756 CO 0.22 -0.91 0.53 -1.81 -2.21 0.00 0.00 174.62 170.43 3afl s ASP 757 N 2.58 6.92 -0.09 8.08 1.11 -0.99 -2.43 116.67 131.85 3afl s ASP 757 Ca 0.26 1.10 0.00 0.00 0.18 0.00 0.00 52.55 54.09 3afl s ASP 757 Cb -0.14 -2.33 0.02 0.00 1.07 0.00 0.00 42.92 41.54 3afl s ASP 757 CO 0.18 0.18 -0.08 -0.63 1.18 0.00 0.00 175.17 176.00 3afl s ILE 758 N -0.52 0.99 -0.23 0.77 1.01 0.42 0.40 121.20 124.05 3afl s ILE 758 Ca 0.28 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.55 3afl s ILE 758 Cb -0.18 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 3afl s ILE 758 CO 0.16 0.35 0.06 -0.31 0.00 0.00 0.00 174.94 175.20 3afl s TYR 759 N 1.38 3.12 0.12 3.97 1.51 0.21 -0.79 117.35 126.88 3afl s TYR 759 Ca -0.01 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 55.83 3afl s TYR 759 Cb -0.14 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 3afl s TYR 759 CO -0.04 -0.21 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.07 3afl s PHE 760 N 1.25 2.81 0.15 2.71 0.40 0.56 0.05 117.98 125.91 3afl s PHE 760 Ca 0.05 -0.13 -0.21 0.00 -0.60 0.00 0.00 56.93 56.04 3afl s PHE 760 Cb -0.15 -1.44 0.06 0.00 0.51 0.00 0.00 43.02 42.01 3afl s PHE 760 CO 0.03 0.46 0.55 -1.54 0.70 0.00 0.00 175.22 175.42 3afl s SER 761 N -2.40 -0.48 0.40 1.36 1.04 0.35 0.45 113.70 114.42 3afl s SER 761 Ca 0.24 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.61 3afl s SER 761 Cb -0.11 0.57 0.05 0.00 0.10 0.00 0.00 66.02 66.63 3afl s SER 761 CO 0.16 -0.93 0.40 -0.90 0.98 0.00 0.00 173.24 172.95 3afl n ASP 762 N -0.32 0.78 0.00 7.02 5.68 -1.13 -0.73 116.55 127.84 3afl n ASP 762 Ca -0.17 -1.60 0.10 0.00 -0.50 0.00 0.00 54.79 52.62 3afl n ASP 762 Cb 0.65 -0.24 0.54 0.00 -1.14 0.00 0.00 41.12 40.92 3afl n ASP 762 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3afl n VAL 763 N -1.81 0.22 -0.96 2.12 0.24 -1.26 -1.37 118.33 115.52 3afl n VAL 763 Ca 0.07 0.06 0.08 0.00 -2.04 0.00 0.00 64.34 62.51 3afl n VAL 763 Cb 0.27 -0.74 0.29 0.00 -1.47 0.00 0.00 33.84 32.19 3afl n VAL 763 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3afl n ASP 764 N -1.15 4.24 -4.17 -1.34 8.00 -1.26 -4.98 116.55 115.89 3afl n ASP 764 Ca 0.12 -2.97 -0.38 0.00 0.71 0.00 0.00 54.79 52.27 3afl n ASP 764 Cb 0.11 -0.57 -0.04 0.00 -0.02 0.00 0.00 41.12 40.61 3afl n ASP 764 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3afl n ASP 765 N -0.25 -1.57 -4.46 -2.24 2.03 -0.47 -4.97 116.55 104.62 3afl n ASP 765 Ca 0.22 -1.26 -0.35 0.00 0.52 0.00 0.00 54.79 53.92 3afl n ASP 765 Cb 0.94 -1.79 -0.12 0.00 -0.72 0.00 0.00 41.12 39.43 3afl n ASP 765 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3afl s GLU 766 N -7.31 3.65 0.22 -0.67 2.02 -1.26 -4.93 118.70 110.41 3afl s GLU 766 Ca 0.23 -0.50 0.05 0.00 0.02 0.00 0.00 54.97 54.77 3afl s GLU 766 Cb -0.13 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 3afl s GLU 766 CO 0.98 0.01 0.26 1.03 0.02 0.00 0.00 175.26 177.55 3afl s ARG 767 N 1.02 3.18 -0.02 1.61 0.52 -1.26 -2.85 118.95 121.15 3afl s ARG 767 Ca 0.02 -0.86 -0.00 0.00 -0.52 0.00 0.00 55.73 54.37 3afl s ARG 767 Cb -0.14 -2.75 0.02 0.00 0.52 0.00 0.00 34.95 32.60 3afl s ARG 767 CO 0.02 0.44 0.03 0.12 0.02 0.00 0.00 175.30 175.93 3afl s PHE 768 N -1.97 0.00 -0.28 -0.53 5.36 0.17 -4.94 117.98 115.80 3afl s PHE 768 Ca 0.33 0.11 -0.05 0.00 -0.96 0.00 0.00 56.93 56.36 3afl s PHE 768 Cb -0.09 -0.14 0.01 0.00 -0.34 0.00 0.00 43.02 42.46 3afl s PHE 768 CO 0.27 -0.06 0.04 0.21 -1.46 0.00 0.00 175.22 174.21 3afl s LYS 769 N 0.67 3.08 -0.34 10.12 2.20 -1.26 -0.33 119.74 133.88 3afl s LYS 769 Ca -0.06 -0.85 -0.11 0.00 -0.36 0.00 0.00 55.97 54.59 3afl s LYS 769 Cb -0.08 -3.25 -0.00 0.00 -1.51 0.00 0.00 37.83 32.99 3afl s LYS 769 CO -0.02 -0.40 0.19 -1.17 -0.36 0.00 0.00 175.35 173.59 3afl s LEU 770 N 1.46 4.39 -0.46 5.43 2.96 0.03 -4.99 118.68 127.50 3afl s LEU 770 Ca 0.02 -0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 53.23 3afl s LEU 770 Cb -0.17 -2.05 0.11 0.00 0.50 0.00 0.00 46.19 44.58 3afl s LEU 770 CO 0.00 -0.26 0.32 -0.55 -1.32 0.00 0.00 176.35 174.55 3afl s SER 771 N 1.63 5.68 -0.38 3.68 0.15 -1.26 -0.44 113.70 122.77 3afl s SER 771 Ca 0.05 -1.81 -0.08 0.00 0.70 0.00 0.00 55.95 54.81 3afl s SER 771 Cb -0.18 -2.00 0.06 0.00 -1.71 0.00 0.00 66.02 62.19 3afl s SER 771 CO 0.08 -0.65 0.18 -0.76 1.20 0.00 0.00 173.24 173.29 3afl s LEU 772 N 1.38 4.75 0.80 3.45 1.43 -1.02 -4.99 118.68 124.48 3afl s LEU 772 Ca 0.05 -1.31 -0.15 0.00 -1.03 0.00 0.00 54.13 51.69 3afl s LEU 772 Cb -0.25 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3afl s LEU 772 CO -0.00 -0.43 0.64 -2.65 0.23 0.00 0.00 176.35 174.15 3afl n PRO 773 N 4.87 0.14 0.00 1.29 -0.02 -1.26 -0.27 135.00 139.75 3afl n PRO 773 Ca -0.11 0.10 0.14 0.00 -2.02 0.00 0.00 63.50 61.61 3afl n PRO 773 Cb 0.44 -1.97 0.49 0.00 -0.02 0.00 0.00 33.50 32.44 3afl n PRO 773 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3afl n LYS 774 N -1.51 0.87 -4.25 -0.52 5.02 -1.25 -4.70 118.16 111.81 3afl n LYS 774 Ca 0.10 -0.43 -0.22 0.00 -2.02 0.00 0.00 58.31 55.74 3afl n LYS 774 Cb 0.51 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.91 3afl n LYS 774 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3afl s GLN 775 N -2.43 1.04 0.00 1.97 -0.21 -1.26 -5.12 119.66 113.65 3afl s GLN 775 Ca 0.28 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.53 3afl s GLN 775 Cb 0.20 -1.18 0.00 0.00 1.00 0.00 0.00 33.01 33.03 3afl s GLN 775 CO 0.48 0.26 0.01 1.97 -2.12 0.00 0.00 175.29 175.89