#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8k s GLN 2 N 0.00 3.20 0.09 0.00 -2.07 0.56 -4.79 119.66 116.66 3a8k s GLN 2 Ca 0.00 -0.84 0.06 0.00 -1.82 0.00 0.00 55.36 52.75 3a8k s GLN 2 Cb 0.00 -2.79 -0.03 0.00 -1.09 0.00 0.00 33.01 29.10 3a8k s GLN 2 CO 0.00 0.10 -0.15 1.14 -1.32 0.00 0.00 175.29 175.06 3a8k s GLN 3 N -4.19 0.93 0.88 9.60 -2.07 -1.26 -0.35 119.66 123.20 3a8k s GLN 3 Ca 0.43 -1.08 -0.13 0.00 -1.82 0.00 0.00 55.36 52.76 3a8k s GLN 3 Cb -0.09 -0.93 0.12 0.00 -1.09 0.00 0.00 33.01 31.02 3a8k s GLN 3 CO 0.32 0.20 1.17 0.95 -1.32 0.00 0.00 175.29 176.61 3a8k s THR 4 N -1.55 1.99 -0.87 3.63 -4.23 -1.26 -4.94 115.64 108.41 3a8k s THR 4 Ca 0.03 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.58 3a8k s THR 4 Cb -0.08 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 70.93 3a8k s THR 4 CO 0.03 0.00 1.14 -2.65 -0.54 0.00 0.00 174.62 172.59 3a8k n PRO 5 N -3.61 0.02 0.00 3.99 -0.02 -1.26 -2.85 135.00 131.27 3a8k n PRO 5 Ca 0.08 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 3a8k n PRO 5 Cb 0.60 -1.58 0.35 0.00 -0.02 0.00 0.00 33.50 32.86 3a8k n PRO 5 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3a8k n LEU 6 N -1.63 1.93 -0.28 2.45 4.77 -1.26 -4.55 117.00 118.43 3a8k n LEU 6 Ca -0.00 -0.64 0.07 0.00 -0.03 0.00 0.00 56.01 55.41 3a8k n LEU 6 Cb 0.02 -0.01 0.21 0.00 -2.33 0.00 0.00 43.42 41.31 3a8k n LEU 6 CO 0.02 0.33 1.06 0.22 -1.33 0.00 0.00 177.39 177.69 3a8k h TYR 7 N 2.94 0.66 -0.28 -1.77 3.20 -1.91 0.16 116.97 119.97 3a8k h TYR 7 Ca 0.00 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 3a8k h TYR 7 Cb 0.66 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 3a8k h TYR 7 CO 0.00 0.12 -0.42 1.49 -1.64 0.00 0.00 178.16 177.71 3a8k h GLU 8 N 0.54 0.79 -0.78 1.82 4.81 -1.87 -2.59 114.58 117.29 3a8k h GLU 8 Ca 0.45 -0.47 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 3a8k h GLU 8 Cb 0.67 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.02 3a8k h GLU 8 CO -0.39 1.10 0.44 1.96 -0.73 0.00 0.00 179.01 181.39 3a8k h GLN 9 N 0.54 0.73 -0.78 1.92 1.08 -1.36 -0.49 115.11 116.75 3a8k h GLN 9 Ca 0.03 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 3a8k h GLN 9 Cb 1.02 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 28.25 3a8k h GLN 9 CO 0.10 0.48 0.39 0.45 -0.95 0.00 0.00 178.83 179.30 3a8k h HIS 10 N 0.75 1.11 -0.18 2.96 3.86 -0.58 -1.63 115.15 121.45 3a8k h HIS 10 Ca 0.37 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.52 3a8k h HIS 10 Cb 0.33 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3a8k h HIS 10 CO -0.07 0.80 0.05 1.79 0.86 0.00 0.00 177.93 181.36 3a8k h THR 11 N 1.09 1.19 -0.15 2.45 1.35 -1.05 0.44 112.91 118.23 3a8k h THR 11 Ca 0.27 -0.61 0.04 0.00 -0.55 0.00 0.00 66.41 65.57 3a8k h THR 11 Cb 0.10 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 3a8k h THR 11 CO -0.04 0.19 0.15 0.25 -0.25 0.00 0.00 175.52 175.82 3a8k h LEU 12 N 0.10 0.00 -1.17 3.87 5.85 -0.95 -0.85 115.31 122.16 3a8k h LEU 12 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3a8k h LEU 12 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3a8k h LEU 12 CO -0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 3a8k n GLY 14 N 1.14 0.82 3.77 0.00 0.00 -0.32 -4.90 105.19 105.71 3a8k n GLY 14 Ca 0.16 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 3a8k n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a8k s ALA 15 N -2.00 3.43 -0.41 4.61 0.00 0.06 -4.40 121.76 123.05 3a8k s ALA 15 Ca 0.00 1.41 -0.20 0.00 0.00 0.00 0.00 51.96 53.17 3a8k s ALA 15 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.59 3a8k s ALA 15 CO 0.00 -0.93 0.58 1.03 0.00 0.00 0.00 175.76 176.44 3a8k s ARG 16 N -2.11 3.35 0.11 0.00 3.00 -0.23 -4.82 118.95 118.26 3a8k s ARG 16 Ca 0.54 -0.36 -0.25 0.00 0.00 0.00 0.00 55.73 55.66 3a8k s ARG 16 Cb -0.43 -3.91 -0.07 0.00 0.00 0.00 0.00 34.95 30.54 3a8k s ARG 16 CO 0.56 -0.89 0.75 -1.64 0.00 0.00 0.00 175.30 174.09 3a8k s MET 17 N 2.61 4.51 0.14 3.54 -1.94 -1.26 -0.46 119.30 126.43 3a8k s MET 17 Ca 0.20 1.08 0.06 0.00 -1.71 0.00 0.00 55.69 55.33 3a8k s MET 17 Cb -0.15 -3.30 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 3a8k s MET 17 CO 0.17 0.47 -0.14 0.14 -0.01 0.00 0.00 175.02 175.66 3a8k s VAL 18 N -0.75 1.36 -0.13 -6.03 -7.23 0.62 -4.86 120.40 103.38 3a8k s VAL 18 Ca 0.36 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.40 3a8k s VAL 18 Cb -0.22 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 3a8k s VAL 18 CO 0.24 -0.49 1.60 -0.62 -0.31 0.00 0.00 175.10 175.53 3a8k s ASP 19 N -2.67 6.57 -0.32 4.85 -1.08 -1.26 -0.27 116.67 122.49 3a8k s ASP 19 Ca 0.12 1.93 0.03 0.00 -0.52 0.00 0.00 52.55 54.10 3a8k s ASP 19 Cb -0.03 -2.53 0.09 0.00 -1.46 0.00 0.00 42.92 38.99 3a8k s ASP 19 CO 0.03 -1.05 0.04 0.12 0.52 0.00 0.00 175.17 174.82 3a8k s PHE 20 N 4.50 3.17 -1.37 -5.34 5.36 0.39 -4.76 117.98 119.93 3a8k s PHE 20 Ca 0.71 -2.56 -0.01 0.00 -0.96 0.00 0.00 56.93 54.11 3a8k s PHE 20 Cb -0.29 -2.46 0.00 0.00 -0.34 0.00 0.00 43.02 39.94 3a8k s PHE 20 CO 0.28 -0.91 0.57 0.72 -1.46 0.00 0.00 175.22 174.41 3a8k n HIS 21 N 4.43 -1.79 -1.09 10.12 8.25 -1.26 -1.29 115.22 132.59 3a8k n HIS 21 Ca -0.00 0.80 -0.03 0.00 -0.26 0.00 0.00 57.72 58.22 3a8k n HIS 21 Cb 0.42 -4.04 -0.01 0.00 1.12 0.00 0.00 29.99 27.48 3a8k n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a8k n GLY 22 N -1.78 0.58 3.25 -1.41 0.00 -1.26 -4.93 105.19 99.64 3a8k n GLY 22 Ca -0.29 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 3a8k n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a8k s TRP 23 N -1.89 2.68 -0.15 1.61 0.52 -0.41 0.21 118.94 121.50 3a8k s TRP 23 Ca 0.00 -1.02 -0.29 0.00 0.02 0.00 0.00 56.10 54.80 3a8k s TRP 23 Cb 0.00 -1.79 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 3a8k s TRP 23 CO 0.00 -0.43 1.48 -1.64 0.02 0.00 0.00 176.95 176.38 3a8k s MET 24 N 0.53 4.09 0.09 4.98 -1.94 0.53 0.15 119.30 127.72 3a8k s MET 24 Ca -0.12 1.80 0.02 0.00 -1.71 0.00 0.00 55.69 55.67 3a8k s MET 24 Cb -0.17 -3.91 -0.04 0.00 2.01 0.00 0.00 34.83 32.73 3a8k s MET 24 CO 0.04 -0.92 -0.07 -1.64 -0.01 0.00 0.00 175.02 172.42 3a8k s MET 25 N 4.01 0.77 0.02 2.03 -1.94 0.63 -4.60 119.30 120.22 3a8k s MET 25 Ca 0.65 -1.22 -0.30 0.00 -1.71 0.00 0.00 55.69 53.10 3a8k s MET 25 Cb -0.26 -0.22 -0.05 0.00 2.01 0.00 0.00 34.83 36.31 3a8k s MET 25 CO 0.24 -0.01 1.27 -2.14 -0.01 0.00 0.00 175.02 174.37 3a8k s PRO 26 N -3.39 4.36 0.06 2.03 0.02 -1.26 -0.27 135.00 136.55 3a8k s PRO 26 Ca 0.07 1.82 -0.09 0.00 0.02 0.00 0.00 61.00 62.82 3a8k s PRO 26 Cb 0.02 -3.45 -0.29 0.00 0.02 0.00 0.00 34.50 30.80 3a8k s PRO 26 CO -0.04 -0.40 1.10 1.25 -0.33 0.00 0.00 177.00 178.58 3a8k h LEU 27 N 7.56 0.62 0.00 -5.54 5.85 -1.10 -1.42 115.31 121.27 3a8k h LEU 27 Ca -0.39 -0.64 0.16 0.00 0.84 0.00 0.00 57.88 57.85 3a8k h LEU 27 Cb 1.19 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3a8k h LEU 27 CO 0.86 1.49 0.58 0.00 -0.34 0.00 0.00 178.44 181.02 3a8k n HIS 28 N -3.63 -1.32 -1.75 1.25 1.44 -1.25 -1.28 115.22 108.67 3a8k n HIS 28 Ca -0.12 -1.22 0.05 0.00 -2.01 0.00 0.00 57.72 54.41 3a8k n HIS 28 Cb 1.03 0.60 0.18 0.00 0.12 0.00 0.00 29.99 31.92 3a8k n HIS 28 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3a8k n TYR 29 N -0.71 0.11 0.00 -1.40 4.02 -1.26 -1.07 117.16 116.86 3a8k n TYR 29 Ca -0.02 -1.39 0.00 0.00 -0.01 0.00 0.00 57.90 56.48 3a8k n TYR 29 Cb 0.56 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 3a8k n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a8k n GLY 30 N -0.88 4.38 3.15 2.72 0.00 -1.26 -4.79 105.19 108.51 3a8k n GLY 30 Ca 0.18 -0.80 0.04 0.00 0.00 0.00 0.00 46.02 45.45 3a8k n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a8k s SER 31 N 0.00 -1.30 0.46 1.61 0.15 -1.26 -5.02 113.70 108.34 3a8k s SER 31 Ca 0.00 0.47 0.17 0.00 0.70 0.00 0.00 55.95 57.29 3a8k s SER 31 Cb 0.00 1.95 1.11 0.00 -1.71 0.00 0.00 66.02 67.37 3a8k s SER 31 CO 0.00 -0.24 2.01 0.06 1.20 0.00 0.00 173.24 176.27 3a8k h GLN 32 N 7.93 0.00 -0.02 5.44 3.07 -1.97 -1.80 115.11 127.76 3a8k h GLN 32 Ca -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.62 3a8k h GLN 32 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.73 3a8k h GLN 32 CO 0.15 0.17 -0.00 0.82 0.09 0.00 0.00 178.83 180.06 3a8k h ILE 33 N 0.00 1.26 -0.94 1.86 1.08 -1.96 -0.45 117.51 118.35 3a8k h ILE 33 Ca -0.00 -0.78 0.06 0.00 -0.39 0.00 0.00 64.86 63.75 3a8k h ILE 33 Cb 0.33 1.74 -0.06 0.00 -3.07 0.00 0.00 36.82 35.75 3a8k h ILE 33 CO 0.02 0.21 0.60 -0.78 -0.69 0.00 0.00 178.15 177.51 3a8k h ASP 34 N -0.27 0.97 -0.69 1.72 3.58 -1.95 0.26 116.42 120.05 3a8k h ASP 34 Ca 0.01 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.50 3a8k h ASP 34 Cb 0.33 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.14 3a8k h ASP 34 CO 0.00 0.63 0.43 -0.33 -2.88 0.00 0.00 179.24 177.09 3a8k h GLU 35 N 1.11 0.81 -0.43 0.28 5.08 -1.12 -0.32 114.58 119.99 3a8k h GLU 35 Ca 0.40 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 3a8k h GLU 35 Cb 0.14 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3a8k h GLU 35 CO -0.16 0.54 0.23 1.25 -1.00 0.00 0.00 179.01 179.86 3a8k h HIS 36 N 0.84 0.59 -0.81 4.33 2.76 -0.52 -2.64 115.15 119.70 3a8k h HIS 36 Ca 0.28 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.46 3a8k h HIS 36 Cb 0.03 -0.19 -0.05 0.00 1.55 0.00 0.00 27.41 28.75 3a8k h HIS 36 CO -0.05 0.46 0.52 1.25 -1.30 0.00 0.00 177.93 178.82 3a8k h HIS 37 N 0.56 0.98 -0.95 5.26 -0.00 -0.55 -1.54 115.15 118.91 3a8k h HIS 37 Ca 0.15 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.64 3a8k h HIS 37 Cb 0.07 -0.33 -0.07 0.00 -0.00 0.00 0.00 27.41 27.08 3a8k h HIS 37 CO -0.02 0.57 0.59 0.00 -0.00 0.00 0.00 177.93 179.07 3a8k h ALA 38 N 1.34 1.36 -0.16 5.26 0.00 -0.79 -0.65 119.26 125.63 3a8k h ALA 38 Ca 0.32 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 3a8k h ALA 38 Cb -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3a8k h ALA 38 CO -0.11 0.27 -0.61 0.28 0.00 0.00 0.00 179.25 179.08 3a8k h VAL 39 N 1.00 1.33 0.00 0.00 2.07 -1.11 0.24 116.25 119.79 3a8k h VAL 39 Ca 0.44 -1.89 -0.07 0.00 0.82 0.00 0.00 66.70 65.99 3a8k h VAL 39 Cb 0.33 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3a8k h VAL 39 CO -0.22 0.58 -0.36 0.03 0.02 0.00 0.00 177.57 177.63 3a8k h ARG 40 N 0.40 0.00 0.00 1.57 2.47 -0.81 -3.35 114.38 114.66 3a8k h ARG 40 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3a8k h ARG 40 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 3a8k h ARG 40 CO 0.11 0.36 -0.44 0.25 0.56 0.00 0.00 179.97 180.81 3a8k n THR 41 N -3.51 0.00 0.00 2.04 -2.24 -0.29 -4.68 114.28 105.59 3a8k n THR 41 Ca -0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3a8k n THR 41 Cb 0.50 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3a8k n THR 41 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3a8k n ASP 42 N -1.15 0.00 -3.69 3.42 2.03 0.71 -4.76 116.55 113.11 3a8k n ASP 42 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 3a8k n ASP 42 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 3a8k n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3a8k s ALA 43 N -1.37 -1.31 0.15 -1.67 0.00 -0.35 -0.32 121.76 116.89 3a8k s ALA 43 Ca 0.00 1.64 0.02 0.00 0.00 0.00 0.00 51.96 53.62 3a8k s ALA 43 Cb 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 3a8k s ALA 43 CO 0.00 -0.27 -0.03 0.20 0.00 0.00 0.00 175.76 175.66 3a8k s GLY 44 N 0.83 1.09 0.04 0.00 0.00 -0.15 -1.56 107.32 107.58 3a8k s GLY 44 Ca -0.04 -1.52 -0.06 0.00 0.00 0.00 0.00 44.72 43.10 3a8k s GLY 44 CO -0.07 -1.52 0.10 -3.16 0.00 0.00 0.00 173.10 168.46 3a8k s MET 45 N -3.88 0.60 0.01 2.90 0.23 0.37 -0.71 119.30 118.82 3a8k s MET 45 Ca 0.20 -0.76 0.02 0.00 -1.03 0.00 0.00 55.69 54.12 3a8k s MET 45 Cb 0.05 0.24 -0.01 0.00 -1.53 0.00 0.00 34.83 33.58 3a8k s MET 45 CO 0.01 -0.15 -0.06 -0.06 -2.03 0.00 0.00 175.02 172.73 3a8k s PHE 46 N -2.66 0.56 -0.45 3.16 0.40 0.38 -0.85 117.98 118.52 3a8k s PHE 46 Ca -0.05 -0.21 -0.27 0.00 -0.60 0.00 0.00 56.93 55.81 3a8k s PHE 46 Cb -0.01 -0.35 0.03 0.00 0.51 0.00 0.00 43.02 43.19 3a8k s PHE 46 CO -0.05 -0.03 0.99 0.34 0.70 0.00 0.00 175.22 177.18 3a8k s ASP 47 N -0.54 6.57 -0.33 1.36 2.15 -1.26 -1.07 116.67 123.55 3a8k s ASP 47 Ca -0.01 0.30 0.08 0.00 0.43 0.00 0.00 52.55 53.34 3a8k s ASP 47 Cb -0.04 -2.48 0.54 0.00 -0.30 0.00 0.00 42.92 40.63 3a8k s ASP 47 CO -0.00 -1.08 1.55 1.33 -0.17 0.00 0.00 175.17 176.80 3a8k n VAL 48 N 6.48 2.69 0.46 1.11 0.24 0.07 -4.73 118.33 124.66 3a8k n VAL 48 Ca 0.08 -2.64 0.09 0.00 -2.04 0.00 0.00 64.34 59.83 3a8k n VAL 48 Cb 0.49 -0.36 0.40 0.00 -1.47 0.00 0.00 33.84 32.89 3a8k n VAL 48 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3a8k n SER 49 N -1.13 0.31 -0.03 -1.34 7.64 -0.97 -2.18 113.62 115.91 3a8k n SER 49 Ca 0.39 0.58 0.15 0.00 1.01 0.00 0.00 58.87 60.99 3a8k n SER 49 Cb 1.15 -0.64 0.73 0.00 -1.01 0.00 0.00 64.21 64.44 3a8k n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a8k n HIS 50 N -1.84 0.00 -2.16 1.43 1.44 -1.26 -4.73 115.22 108.09 3a8k n HIS 50 Ca 0.03 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.40 3a8k n HIS 50 Cb 0.20 -0.24 0.01 0.00 0.12 0.00 0.00 29.99 30.08 3a8k n HIS 50 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3a8k s MET 51 N -2.51 3.28 -0.13 -1.40 -1.94 -0.93 -3.85 119.30 111.81 3a8k s MET 51 Ca 0.30 1.50 -0.02 0.00 -1.71 0.00 0.00 55.69 55.75 3a8k s MET 51 Cb 0.20 -2.01 -0.03 0.00 2.01 0.00 0.00 34.83 35.01 3a8k s MET 51 CO 0.46 -0.89 -0.05 0.99 -0.01 0.00 0.00 175.02 175.53 3a8k s THR 52 N -1.98 3.81 -0.20 2.05 2.01 0.75 -4.93 115.64 117.14 3a8k s THR 52 Ca 0.70 -0.40 -0.09 0.00 0.31 0.00 0.00 61.69 62.21 3a8k s THR 52 Cb -0.22 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 3a8k s THR 52 CO 0.30 0.52 0.10 -0.63 -0.69 0.00 0.00 174.62 174.22 3a8k s ILE 53 N 0.07 5.09 -0.16 1.82 1.01 -1.26 -0.54 121.20 127.23 3a8k s ILE 53 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.73 3a8k s ILE 53 Cb -0.14 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.04 3a8k s ILE 53 CO 0.03 0.44 -0.18 -0.69 0.00 0.00 0.00 174.94 174.54 3a8k s VAL 54 N 0.44 1.88 -0.05 2.92 1.01 0.35 -1.00 120.40 125.94 3a8k s VAL 54 Ca 0.06 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 3a8k s VAL 54 Cb -0.12 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3a8k s VAL 54 CO -0.00 0.51 0.32 -1.81 0.00 0.00 0.00 175.10 174.12 3a8k s ASP 55 N 1.22 6.66 -0.07 3.32 1.01 -0.16 -0.55 116.67 128.10 3a8k s ASP 55 Ca 0.02 0.78 0.02 0.00 0.71 0.00 0.00 52.55 54.09 3a8k s ASP 55 Cb -0.14 -2.19 0.01 0.00 1.01 0.00 0.00 42.92 41.61 3a8k s ASP 55 CO -0.09 0.33 -0.14 -0.76 0.21 0.00 0.00 175.17 174.72 3a8k s LEU 56 N -0.94 1.70 0.03 1.23 1.43 -0.31 -0.31 118.68 121.51 3a8k s LEU 56 Ca 0.21 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3a8k s LEU 56 Cb -0.15 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 3a8k s LEU 56 CO 0.10 0.05 -0.04 -0.13 0.23 0.00 0.00 176.35 176.56 3a8k s ARG 57 N 0.63 0.37 0.00 1.70 0.52 -0.57 -1.88 118.95 119.73 3a8k s ARG 57 Ca -0.15 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 3a8k s ARG 57 Cb -0.16 0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.34 3a8k s ARG 57 CO 0.04 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.74 3a8k n GLY 58 N 1.49 4.18 0.30 -3.53 0.00 -0.46 -0.53 105.19 106.64 3a8k n GLY 58 Ca -0.23 -1.54 0.19 0.00 0.00 0.00 0.00 46.02 44.43 3a8k n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a8k h SER 59 N 0.00 0.00 -0.53 1.61 4.64 -1.91 -2.28 113.55 115.08 3a8k h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a8k h SER 59 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3a8k h SER 59 CO 0.00 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 176.52 3a8k n ARG 60 N -3.14 3.83 0.00 4.77 1.74 -1.26 -4.58 116.66 118.02 3a8k n ARG 60 Ca -0.01 -2.89 -0.10 0.00 -0.77 0.00 0.00 57.85 54.09 3a8k n ARG 60 Cb 0.23 -1.93 -0.04 0.00 -1.02 0.00 0.00 32.46 29.70 3a8k n ARG 60 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3a8k h THR 61 N 3.45 0.72 -0.19 0.55 2.02 -1.70 0.78 112.91 118.54 3a8k h THR 61 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3a8k h THR 61 Cb 1.54 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 3a8k h THR 61 CO 0.28 0.00 0.09 -0.09 0.37 0.00 0.00 175.52 176.17 3a8k h ARG 62 N -0.12 0.19 -0.80 6.66 2.43 -1.81 -1.34 114.38 119.60 3a8k h ARG 62 Ca 0.07 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3a8k h ARG 62 Cb 0.22 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 3a8k h ARG 62 CO -0.18 0.13 0.50 1.49 -1.51 0.00 0.00 179.97 180.40 3a8k h GLU 63 N 0.20 0.94 -0.13 0.20 4.81 -1.81 0.82 114.58 119.59 3a8k h GLU 63 Ca 0.08 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3a8k h GLU 63 Cb 0.02 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3a8k h GLU 63 CO -0.06 0.62 0.08 0.35 -0.73 0.00 0.00 179.01 179.27 3a8k h PHE 64 N 0.96 0.18 -0.23 0.92 3.57 -0.45 -2.69 116.94 119.20 3a8k h PHE 64 Ca 0.33 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.73 3a8k h PHE 64 Cb 0.05 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3a8k h PHE 64 CO -0.03 0.16 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.89 3a8k h LEU 65 N 0.14 0.44 -2.42 0.59 3.38 -0.54 0.13 115.31 117.03 3a8k h LEU 65 Ca 0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3a8k h LEU 65 Cb 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3a8k h LEU 65 CO -0.01 0.69 -0.03 0.03 0.09 0.00 0.00 178.44 179.21 3a8k h ARG 66 N 0.39 0.00 0.04 1.13 3.08 -0.64 -2.20 114.38 116.18 3a8k h ARG 66 Ca 0.06 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.77 3a8k h ARG 66 Cb 0.65 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.65 3a8k h ARG 66 CO 0.05 0.03 -1.98 0.98 -1.07 0.00 0.00 179.97 177.98 3a8k n TYR 67 N -3.54 0.81 0.06 3.04 9.36 -0.68 -4.47 117.16 121.72 3a8k n TYR 67 Ca -0.02 0.24 -0.08 0.00 3.32 0.00 0.00 57.90 61.35 3a8k n TYR 67 Cb 0.13 -1.13 0.06 0.00 -0.63 0.00 0.00 39.34 37.77 3a8k n TYR 67 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 3a8k h LEU 68 N 0.02 0.43 -9.32 2.98 5.85 -0.46 -1.45 115.31 113.35 3a8k h LEU 68 Ca -0.40 -0.26 -0.63 0.00 0.84 0.00 0.00 57.88 57.43 3a8k h LEU 68 Cb 2.05 -0.12 -0.14 0.00 0.37 0.00 0.00 40.66 42.81 3a8k h LEU 68 CO 0.06 0.97 -0.72 -0.76 -0.34 0.00 0.00 178.44 177.64 3a8k s LEU 69 N -7.99 2.99 0.01 2.25 1.43 -0.86 -4.35 118.68 112.17 3a8k s LEU 69 Ca -0.05 -0.56 0.16 0.00 -1.03 0.00 0.00 54.13 52.65 3a8k s LEU 69 Cb 0.11 -1.68 -0.17 0.00 0.03 0.00 0.00 46.19 44.47 3a8k s LEU 69 CO 0.83 0.11 0.73 0.00 0.23 0.00 0.00 176.35 178.24 3a8k n ALA 70 N 0.09 1.80 -1.44 4.21 0.00 -0.83 -4.74 120.51 119.60 3a8k n ALA 70 Ca -0.11 -0.65 -0.29 0.00 0.00 0.00 0.00 53.44 52.39 3a8k n ALA 70 Cb 0.55 -0.88 0.13 0.00 0.00 0.00 0.00 19.45 19.25 3a8k n ALA 70 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3a8k s ASN 71 N -5.82 3.59 -0.30 0.00 3.84 -1.14 -1.89 114.94 113.21 3a8k s ASN 71 Ca -0.04 1.14 -0.03 0.00 0.21 0.00 0.00 52.86 54.14 3a8k s ASN 71 Cb 0.08 -1.78 0.04 0.00 -0.55 0.00 0.00 41.25 39.05 3a8k s ASN 71 CO 0.82 -2.52 0.02 -0.62 -2.79 0.00 0.00 177.10 172.01 3a8k s ASP 72 N -3.84 4.95 0.12 -4.21 -1.08 -1.26 -4.81 116.67 106.54 3a8k s ASP 72 Ca 0.63 -1.16 0.16 0.00 -0.52 0.00 0.00 52.55 51.67 3a8k s ASP 72 Cb -0.16 -1.76 0.71 0.00 -1.46 0.00 0.00 42.92 40.25 3a8k s ASP 72 CO 0.55 -0.26 1.50 1.33 0.52 0.00 0.00 175.17 178.81 3a8k n VAL 73 N 4.69 1.09 0.31 1.11 0.24 -1.26 -1.41 118.33 123.10 3a8k n VAL 73 Ca -0.13 0.33 0.19 0.00 -2.04 0.00 0.00 64.34 62.68 3a8k n VAL 73 Cb 0.44 -1.20 1.04 0.00 -1.47 0.00 0.00 33.84 32.66 3a8k n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a8k h ALA 74 N 2.30 1.26 0.00 2.33 0.00 -1.92 -0.28 119.26 122.95 3a8k h ALA 74 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a8k h ALA 74 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3a8k h ALA 74 CO 0.00 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.89 3a8k n LYS 75 N -3.47 0.03 -2.96 0.00 5.02 -0.50 -4.48 118.16 111.79 3a8k n LYS 75 Ca -0.03 0.33 -0.44 0.00 -2.02 0.00 0.00 58.31 56.16 3a8k n LYS 75 Cb 0.09 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.51 3a8k n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3a8k s LEU 76 N -3.22 4.93 -0.00 -0.35 1.43 -0.12 -4.81 118.68 116.54 3a8k s LEU 76 Ca 0.05 -1.45 0.09 0.00 -1.03 0.00 0.00 54.13 51.79 3a8k s LEU 76 Cb 0.07 -2.37 -0.10 0.00 0.03 0.00 0.00 46.19 43.82 3a8k s LEU 76 CO 0.22 -1.22 0.35 0.35 0.23 0.00 0.00 176.35 176.29 3a8k n THR 77 N 5.64 0.00 -4.57 5.49 -2.24 -1.26 -4.94 114.28 112.40 3a8k n THR 77 Ca 0.02 -0.29 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 3a8k n THR 77 Cb 0.45 0.93 -0.12 0.00 -2.10 0.00 0.00 70.33 69.49 3a8k n THR 77 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3a8k s LYS 78 N -1.90 3.26 0.01 -0.78 2.20 -1.26 -5.07 119.74 116.19 3a8k s LYS 78 Ca 0.03 -0.56 -0.37 0.00 -0.36 0.00 0.00 55.97 54.70 3a8k s LYS 78 Cb 0.06 -2.73 -0.16 0.00 -1.51 0.00 0.00 37.83 33.50 3a8k s LYS 78 CO 0.36 0.40 1.51 0.45 -0.36 0.00 0.00 175.35 177.71 3a8k n SER 79 N 3.02 2.19 0.00 1.43 2.88 -1.26 -0.99 113.62 120.90 3a8k n SER 79 Ca -0.18 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 3a8k n SER 79 Cb 0.53 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 3a8k n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a8k n GLY 80 N 3.19 1.42 3.77 0.46 0.00 0.14 -4.92 105.19 109.24 3a8k n GLY 80 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3a8k n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a8k s LYS 81 N -0.44 4.11 0.25 1.61 2.47 -0.16 -0.23 119.74 127.36 3a8k s LYS 81 Ca 0.00 2.57 0.11 0.00 -1.56 0.00 0.00 55.97 57.10 3a8k s LYS 81 Cb 0.00 -2.98 -0.05 0.00 -1.46 0.00 0.00 37.83 33.34 3a8k s LYS 81 CO 0.00 -0.56 -0.16 0.00 0.16 0.00 0.00 175.35 174.78 3a8k s ALA 82 N -0.79 2.80 0.16 3.13 0.00 0.56 -0.97 121.76 126.64 3a8k s ALA 82 Ca 0.56 -1.76 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 3a8k s ALA 82 Cb -0.47 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 3a8k s ALA 82 CO 0.59 0.32 0.07 -0.48 0.00 0.00 0.00 175.76 176.26 3a8k s LEU 83 N -3.32 1.64 -0.06 0.00 0.05 -0.11 -4.84 118.68 112.05 3a8k s LEU 83 Ca 0.28 -1.26 -0.11 0.00 0.05 0.00 0.00 54.13 53.09 3a8k s LEU 83 Cb -0.06 0.26 -0.05 0.00 -2.05 0.00 0.00 46.19 44.29 3a8k s LEU 83 CO 0.15 -0.74 0.27 -0.47 -0.55 0.00 0.00 176.35 175.01 3a8k s TYR 84 N -4.02 3.66 -0.00 3.48 5.04 -1.26 -0.96 117.35 123.30 3a8k s TYR 84 Ca 0.29 0.76 -0.16 0.00 -2.44 0.00 0.00 57.07 55.52 3a8k s TYR 84 Cb 0.07 -2.12 0.03 0.00 0.35 0.00 0.00 41.96 40.29 3a8k s TYR 84 CO 0.05 0.69 0.34 0.45 -1.34 0.00 0.00 175.55 175.74 3a8k s SER 85 N -1.03 -0.21 0.59 4.32 0.15 -0.31 -4.78 113.70 112.43 3a8k s SER 85 Ca 0.19 0.07 -0.11 0.00 0.70 0.00 0.00 55.95 56.80 3a8k s SER 85 Cb -0.14 0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 3a8k s SER 85 CO 0.09 -0.50 0.99 -0.83 1.20 0.00 0.00 173.24 174.19 3a8k s GLY 86 N -1.50 1.70 -0.20 9.45 0.00 -1.26 -0.55 107.32 114.96 3a8k s GLY 86 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3a8k s GLY 86 CO 0.03 0.16 -0.07 -0.29 0.00 0.00 0.00 173.10 172.92 3a8k s MET 87 N -4.96 1.75 0.20 2.90 0.00 -0.12 -1.96 119.30 117.10 3a8k s MET 87 Ca 0.55 -0.77 0.06 0.00 0.00 0.00 0.00 55.69 55.52 3a8k s MET 87 Cb -0.11 -2.33 -0.04 0.00 0.00 0.00 0.00 34.83 32.35 3a8k s MET 87 CO 0.50 -0.47 0.17 -0.51 0.00 0.00 0.00 175.02 174.70 3a8k s LEU 88 N 1.47 3.83 0.00 4.11 1.43 -1.26 -0.32 118.68 127.94 3a8k s LEU 88 Ca -0.02 -0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 3a8k s LEU 88 Cb -0.17 -2.41 0.19 0.00 0.03 0.00 0.00 46.19 43.84 3a8k s LEU 88 CO -0.08 0.03 1.16 -0.46 0.23 0.00 0.00 176.35 177.23 3a8k n ASN 89 N -0.69 0.28 0.26 2.29 0.23 -0.27 -4.62 115.26 112.75 3a8k n ASN 89 Ca -0.08 -1.54 0.12 0.00 -0.53 0.00 0.00 54.58 52.55 3a8k n ASN 89 Cb 0.56 -0.87 0.73 0.00 -2.08 0.00 0.00 39.78 38.12 3a8k n ASN 89 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a8k h ALA 90 N -1.61 1.36 -0.12 -2.53 0.00 -1.90 0.10 119.26 114.57 3a8k h ALA 90 Ca -0.38 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3a8k h ALA 90 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3a8k h ALA 90 CO 0.28 0.14 0.00 0.43 0.00 0.00 0.00 179.25 180.10 3a8k n SER 91 N -3.74 1.01 -0.04 0.00 7.64 -1.26 -4.39 113.62 112.84 3a8k n SER 91 Ca -0.02 -1.66 -0.00 0.00 1.01 0.00 0.00 58.87 58.20 3a8k n SER 91 Cb 0.22 -0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.34 3a8k n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a8k n GLY 92 N 0.97 0.47 3.90 0.23 0.00 0.02 -4.73 105.19 106.05 3a8k n GLY 92 Ca 0.14 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 3a8k n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a8k s GLY 93 N -2.32 1.60 -0.28 -0.02 0.00 -1.26 -4.08 107.32 100.96 3a8k s GLY 93 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 44.72 44.01 3a8k s GLY 93 CO 0.00 -0.24 0.60 0.14 0.00 0.00 0.00 173.10 173.60 3a8k s VAL 94 N -3.04 4.99 -0.07 1.40 1.01 -0.98 -1.11 120.40 122.60 3a8k s VAL 94 Ca 0.54 0.93 -0.22 0.00 0.00 0.00 0.00 61.98 63.22 3a8k s VAL 94 Cb -0.11 -3.94 -0.30 0.00 0.00 0.00 0.00 36.38 32.03 3a8k s VAL 94 CO 0.47 -0.04 0.84 0.40 0.00 0.00 0.00 175.10 176.78 3a8k h ILE 95 N 5.47 1.51 -3.18 2.22 2.04 -0.95 -2.48 117.51 122.14 3a8k h ILE 95 Ca -0.27 -2.50 -0.01 0.00 1.00 0.00 0.00 64.86 63.08 3a8k h ILE 95 Cb 1.12 3.18 -0.10 0.00 -0.74 0.00 0.00 36.82 40.29 3a8k h ILE 95 CO 0.77 0.70 0.10 -0.62 0.00 0.00 0.00 178.15 179.10 3a8k s ASP 96 N -6.87 -0.34 -0.16 1.72 -1.08 -1.02 -4.89 116.67 104.03 3a8k s ASP 96 Ca -0.15 -0.36 -0.05 0.00 -0.52 0.00 0.00 52.55 51.47 3a8k s ASP 96 Cb 0.01 0.60 -0.04 0.00 -1.46 0.00 0.00 42.92 42.03 3a8k s ASP 96 CO 0.80 -1.06 0.03 0.54 0.52 0.00 0.00 175.17 176.00 3a8k s ASN 97 N -2.84 5.35 0.21 -0.34 4.22 -1.26 -0.95 114.94 119.33 3a8k s ASN 97 Ca 0.07 0.04 -0.04 0.00 -2.14 0.00 0.00 52.86 50.79 3a8k s ASN 97 Cb -0.02 -1.84 -0.03 0.00 1.28 0.00 0.00 41.25 40.64 3a8k s ASN 97 CO -0.05 0.21 0.20 -1.48 -2.04 0.00 0.00 177.10 173.95 3a8k s LEU 98 N 0.13 1.00 0.13 3.54 0.05 0.29 -4.80 118.68 119.02 3a8k s LEU 98 Ca 0.03 -1.27 0.06 0.00 0.05 0.00 0.00 54.13 53.00 3a8k s LEU 98 Cb -0.13 0.68 -0.04 0.00 -2.05 0.00 0.00 46.19 44.66 3a8k s LEU 98 CO 0.01 -0.90 -0.02 -0.51 -0.55 0.00 0.00 176.35 174.38 3a8k s ILE 99 N -4.12 3.76 -0.00 1.48 2.07 -1.21 -1.16 121.20 122.02 3a8k s ILE 99 Ca 0.34 -1.22 0.01 0.00 -1.41 0.00 0.00 60.65 58.37 3a8k s ILE 99 Cb 0.05 -2.83 0.00 0.00 0.13 0.00 0.00 42.46 39.82 3a8k s ILE 99 CO 0.11 0.03 -0.02 0.54 -1.91 0.00 0.00 174.94 173.68 3a8k s VAL 100 N -1.45 0.19 -0.06 4.00 0.11 -0.13 -1.78 120.40 121.27 3a8k s VAL 100 Ca 0.25 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.24 3a8k s VAL 100 Cb -0.11 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 3a8k s VAL 100 CO 0.17 0.07 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.60 3a8k s TYR 101 N 0.05 2.85 -0.24 1.54 1.51 0.19 -0.93 117.35 122.32 3a8k s TYR 101 Ca -0.00 -0.06 -0.11 0.00 -1.01 0.00 0.00 57.07 55.89 3a8k s TYR 101 Cb -0.02 -1.69 -0.05 0.00 -0.11 0.00 0.00 41.96 40.09 3a8k s TYR 101 CO -0.00 0.26 0.18 -0.47 -1.11 0.00 0.00 175.55 174.41 3a8k s TYR 102 N -0.74 3.31 -0.10 2.71 5.04 -0.15 -1.18 117.35 126.24 3a8k s TYR 102 Ca 0.11 0.24 -0.11 0.00 -2.44 0.00 0.00 57.07 54.88 3a8k s TYR 102 Cb -0.11 -2.31 -0.05 0.00 0.35 0.00 0.00 41.96 39.85 3a8k s TYR 102 CO 0.01 0.03 -0.22 1.19 -1.34 0.00 0.00 175.55 175.22 3a8k n PHE 103 N 4.42 0.00 -4.35 4.97 3.72 -0.31 0.28 117.46 126.20 3a8k n PHE 103 Ca -0.14 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.06 3a8k n PHE 103 Cb 0.52 -0.38 -0.09 0.00 -0.94 0.00 0.00 39.48 38.59 3a8k n PHE 103 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3a8k s THR 104 N -2.52 0.31 0.43 4.37 -4.23 -0.87 -4.47 115.64 108.67 3a8k s THR 104 Ca -0.20 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.52 3a8k s THR 104 Cb 0.04 -2.49 0.41 0.00 1.34 0.00 0.00 72.50 71.80 3a8k s THR 104 CO 0.28 0.00 1.82 -0.33 -0.54 0.00 0.00 174.62 175.85 3a8k h GLU 105 N 2.16 0.32 -0.22 3.99 4.39 -1.98 -1.74 114.58 121.50 3a8k h GLU 105 Ca -0.33 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.35 3a8k h GLU 105 Cb 1.25 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3a8k h GLU 105 CO 0.50 0.21 0.00 -0.25 -1.16 0.00 0.00 179.01 178.32 3a8k n ASP 106 N -4.50 3.55 -3.54 1.42 8.00 -1.26 -4.31 116.55 115.91 3a8k n ASP 106 Ca 0.22 -2.97 -0.16 0.00 0.71 0.00 0.00 54.79 52.59 3a8k n ASP 106 Cb 0.83 -0.50 -0.13 0.00 -0.02 0.00 0.00 41.12 41.30 3a8k n ASP 106 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3a8k s PHE 107 N -2.72 -0.37 0.26 1.24 5.36 -0.66 -1.35 117.98 119.75 3a8k s PHE 107 Ca 0.39 0.52 0.07 0.00 -0.96 0.00 0.00 56.93 56.95 3a8k s PHE 107 Cb 0.32 -0.22 -0.06 0.00 -0.34 0.00 0.00 43.02 42.72 3a8k s PHE 107 CO 0.08 -0.52 -0.07 -0.06 -1.46 0.00 0.00 175.22 173.19 3a8k s PHE 108 N 2.37 1.88 -0.00 10.12 0.40 -0.78 -1.16 117.98 130.82 3a8k s PHE 108 Ca 0.06 -0.69 0.01 0.00 -0.60 0.00 0.00 56.93 55.71 3a8k s PHE 108 Cb -0.14 -1.04 -0.00 0.00 0.51 0.00 0.00 43.02 42.34 3a8k s PHE 108 CO -0.11 0.28 -0.04 0.50 0.70 0.00 0.00 175.22 176.54 3a8k s ARG 109 N -3.72 0.33 0.08 0.44 3.52 -0.33 -1.16 118.95 118.12 3a8k s ARG 109 Ca 0.28 -0.18 0.07 0.00 -0.13 0.00 0.00 55.73 55.77 3a8k s ARG 109 Cb 0.03 -0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.08 3a8k s ARG 109 CO 0.11 0.08 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.03 3a8k s LEU 110 N -0.19 2.84 -0.12 -0.88 1.43 0.28 -0.64 118.68 121.40 3a8k s LEU 110 Ca 0.01 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3a8k s LEU 110 Cb -0.02 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.54 3a8k s LEU 110 CO -0.00 0.21 -0.21 -0.69 0.23 0.00 0.00 176.35 175.89 3a8k s VAL 111 N -1.10 1.91 0.21 -1.59 1.01 -0.73 -0.50 120.40 119.60 3a8k s VAL 111 Ca 0.18 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.36 3a8k s VAL 111 Cb -0.11 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 3a8k s VAL 111 CO 0.10 0.52 -0.17 0.68 0.00 0.00 0.00 175.10 176.23 3a8k s VAL 112 N 0.78 1.96 0.79 2.92 -7.23 0.30 -3.28 120.40 116.63 3a8k s VAL 112 Ca -0.09 -2.15 -0.11 0.00 -1.81 0.00 0.00 61.98 57.82 3a8k s VAL 112 Cb -0.16 -2.04 0.06 0.00 0.56 0.00 0.00 36.38 34.81 3a8k s VAL 112 CO -0.00 -0.44 1.09 0.20 -0.31 0.00 0.00 175.10 175.64 3a8k s ASN 113 N -3.12 4.56 0.04 4.85 0.01 -1.26 -0.18 114.94 119.84 3a8k s ASN 113 Ca 0.22 1.40 -0.24 0.00 -0.71 0.00 0.00 52.86 53.54 3a8k s ASN 113 Cb -0.04 -2.16 -0.16 0.00 0.41 0.00 0.00 41.25 39.31 3a8k s ASN 113 CO 0.09 -1.94 1.50 -1.28 -1.51 0.00 0.00 177.10 173.96 3a8k h SER 114 N -1.07 0.07 0.47 -1.22 0.87 -1.93 -2.90 113.55 107.85 3a8k h SER 114 Ca -0.46 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 59.80 3a8k h SER 114 Cb 1.26 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3a8k h SER 114 CO 0.58 0.31 -0.16 0.00 -0.53 0.00 0.00 176.83 177.03 3a8k h ALA 115 N 0.76 1.24 -0.48 6.23 0.00 -1.92 -2.79 119.26 122.30 3a8k h ALA 115 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3a8k h ALA 115 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3a8k h ALA 115 CO 0.00 0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.70 3a8k n THR 116 N -3.63 1.06 -0.04 0.00 -2.24 -1.20 -4.73 114.28 103.50 3a8k n THR 116 Ca -0.01 -1.03 -0.09 0.00 -2.27 0.00 0.00 64.05 60.65 3a8k n THR 116 Cb 0.29 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 3a8k n THR 116 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3a8k h ARG 117 N 2.84 -0.29 0.05 -0.78 2.43 -1.28 -0.27 114.38 117.08 3a8k h ARG 117 Ca 0.00 0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.96 3a8k h ARG 117 Cb 0.86 0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.50 3a8k h ARG 117 CO 0.01 -0.19 -0.92 0.93 -1.51 0.00 0.00 179.97 178.29 3a8k h GLU 118 N -0.30 0.53 -0.66 0.20 4.39 -1.85 -0.96 114.58 115.93 3a8k h GLU 118 Ca 0.13 -0.64 0.06 0.00 0.34 0.00 0.00 59.36 59.25 3a8k h GLU 118 Cb 0.50 0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 29.29 3a8k h GLU 118 CO -0.39 1.26 0.37 -0.22 -1.16 0.00 0.00 179.01 178.86 3a8k h LYS 119 N 0.09 0.65 -0.19 2.33 3.64 -1.89 -1.37 116.57 119.84 3a8k h LYS 119 Ca -0.13 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 3a8k h LYS 119 Cb 1.62 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.29 3a8k h LYS 119 CO 0.18 0.43 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.25 3a8k h ASP 120 N 0.67 0.41 -0.47 4.20 5.19 -0.85 -1.62 116.42 123.96 3a8k h ASP 120 Ca 0.30 -0.42 0.04 0.00 -0.62 0.00 0.00 57.03 56.33 3a8k h ASP 120 Cb 0.19 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.55 3a8k h ASP 120 CO -0.19 0.74 0.23 -0.07 -3.12 0.00 0.00 179.24 176.83 3a8k h LEU 121 N 0.09 0.32 -0.78 1.55 3.38 -1.10 0.51 115.31 119.27 3a8k h LEU 121 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3a8k h LEU 121 Cb 0.59 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3a8k h LEU 121 CO 0.03 0.22 0.46 0.28 0.09 0.00 0.00 178.44 179.52 3a8k h SER 122 N 0.45 0.95 -0.49 -0.43 0.02 -1.13 -0.37 113.55 112.55 3a8k h SER 122 Ca 0.21 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 3a8k h SER 122 Cb 0.13 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3a8k h SER 122 CO -0.15 0.75 0.02 -0.25 -1.14 0.00 0.00 176.83 176.06 3a8k h TRP 123 N 1.08 0.93 0.04 3.45 2.91 -0.79 0.19 115.95 123.75 3a8k h TRP 123 Ca 0.28 -0.15 -0.00 0.00 1.13 0.00 0.00 58.89 60.14 3a8k h TRP 123 Cb -0.01 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 28.39 3a8k h TRP 123 CO -0.00 0.87 -0.02 0.82 -1.03 0.00 0.00 178.44 179.08 3a8k h ILE 124 N 0.72 1.17 -0.30 2.65 2.04 -0.78 -1.68 117.51 121.33 3a8k h ILE 124 Ca 0.14 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.27 3a8k h ILE 124 Cb 0.49 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3a8k h ILE 124 CO 0.02 0.17 -0.15 0.71 0.00 0.00 0.00 178.15 178.90 3a8k h THR 125 N -0.34 1.24 0.18 -0.27 1.35 -1.02 0.25 112.91 114.30 3a8k h THR 125 Ca -0.01 -1.08 -0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3a8k h THR 125 Cb 0.31 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 3a8k h THR 125 CO 0.01 0.35 -0.12 -0.61 -0.25 0.00 0.00 175.52 174.90 3a8k h GLN 126 N 0.47 -0.29 0.00 4.72 4.15 -0.91 -3.06 115.11 120.20 3a8k h GLN 126 Ca 0.08 0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.38 3a8k h GLN 126 Cb 0.54 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 3a8k h GLN 126 CO 0.03 -0.19 -0.67 0.45 -1.93 0.00 0.00 178.83 176.52 3a8k h HIS 127 N -0.30 0.00 0.00 3.99 3.86 -1.05 -3.28 115.15 118.37 3a8k h HIS 127 Ca -0.01 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 3a8k h HIS 127 Cb 0.26 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 3a8k h HIS 127 CO -0.10 0.67 -0.52 0.00 0.86 0.00 0.00 177.93 178.85 3a8k h ALA 128 N 1.33 0.96 -0.54 2.45 0.00 -0.51 -3.38 119.26 119.56 3a8k h ALA 128 Ca -0.01 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 54.53 3a8k h ALA 128 Cb 1.37 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.97 3a8k h ALA 128 CO 0.09 0.65 -0.27 1.49 0.00 0.00 0.00 179.25 181.20 3a8k h GLU 129 N 0.00 -0.14 0.00 0.00 4.81 -1.60 0.16 114.58 117.82 3a8k h GLU 129 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3a8k h GLU 129 Cb 1.04 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3a8k h GLU 129 CO 0.07 -0.09 0.00 -0.35 -0.73 0.00 0.00 179.01 177.91 3a8k n PRO 130 N -5.43 0.16 0.00 0.92 -0.04 -1.26 -0.83 135.00 128.51 3a8k n PRO 130 Ca 0.04 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 64.11 3a8k n PRO 130 Cb 0.34 -1.85 0.52 0.00 -0.04 0.00 0.00 33.50 32.47 3a8k n PRO 130 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3a8k n PHE 131 N -2.15 0.00 -2.22 0.54 3.72 0.53 -4.97 117.46 112.91 3a8k n PHE 131 Ca 0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.31 3a8k n PHE 131 Cb 0.16 -0.15 -0.00 0.00 -0.94 0.00 0.00 39.48 38.55 3a8k n PHE 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a8k n GLY 132 N 1.30 -0.05 3.74 1.37 0.00 -0.01 -4.58 105.19 106.96 3a8k n GLY 132 Ca 0.14 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 3a8k n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a8k s ILE 133 N -2.53 4.44 -0.31 -0.61 -1.09 -1.25 -4.87 121.20 114.97 3a8k s ILE 133 Ca 0.01 1.93 -0.25 0.00 -2.23 0.00 0.00 60.65 60.11 3a8k s ILE 133 Cb -0.00 -4.25 0.01 0.00 -1.58 0.00 0.00 42.46 36.63 3a8k s ILE 133 CO 0.01 0.40 0.89 -0.70 -1.23 0.00 0.00 174.94 174.31 3a8k s GLU 134 N -0.43 4.00 -0.19 2.79 2.12 0.31 -4.91 118.70 122.37 3a8k s GLU 134 Ca 0.42 0.76 -0.03 0.00 0.36 0.00 0.00 54.97 56.48 3a8k s GLU 134 Cb -0.23 -3.73 -0.01 0.00 0.26 0.00 0.00 34.13 30.42 3a8k s GLU 134 CO 0.28 -0.76 -0.07 0.42 -0.54 0.00 0.00 175.26 174.60 3a8k s ILE 135 N 3.19 3.29 -0.17 -3.70 1.01 -1.26 -1.51 121.20 122.05 3a8k s ILE 135 Ca 0.37 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 3a8k s ILE 135 Cb -0.13 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.88 3a8k s ILE 135 CO 0.13 0.46 -0.15 -0.89 0.00 0.00 0.00 174.94 174.49 3a8k s THR 136 N 1.14 2.54 -0.35 2.92 2.01 0.57 -4.98 115.64 119.49 3a8k s THR 136 Ca 0.01 -0.79 -0.22 0.00 0.31 0.00 0.00 61.69 61.00 3a8k s THR 136 Cb -0.14 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.28 3a8k s THR 136 CO -0.01 0.51 0.70 -0.69 -0.69 0.00 0.00 174.62 174.44 3a8k s VAL 137 N 1.07 4.83 -1.37 3.82 1.01 -1.26 -0.99 120.40 127.51 3a8k s VAL 137 Ca -0.00 0.78 -0.07 0.00 0.00 0.00 0.00 61.98 62.69 3a8k s VAL 137 Cb -0.14 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.17 3a8k s VAL 137 CO -0.05 -0.33 2.56 0.54 0.00 0.00 0.00 175.10 177.82 3a8k n ARG 138 N 6.18 4.31 0.00 2.72 5.12 -0.17 -4.67 116.66 130.14 3a8k n ARG 138 Ca 0.01 -3.09 0.08 0.00 -1.93 0.00 0.00 57.85 52.91 3a8k n ARG 138 Cb 0.48 -2.66 0.40 0.00 -1.16 0.00 0.00 32.46 29.53 3a8k n ARG 138 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3a8k n ASP 139 N 2.19 0.00 0.00 0.55 8.00 -1.26 -1.93 116.55 124.09 3a8k n ASP 139 Ca 0.66 -0.06 0.13 0.00 0.71 0.00 0.00 54.79 56.23 3a8k n ASP 139 Cb 0.25 -0.22 0.58 0.00 -0.02 0.00 0.00 41.12 41.71 3a8k n ASP 139 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3a8k n ASP 140 N -1.22 0.00 -4.68 -2.24 5.75 -1.26 -4.81 116.55 108.09 3a8k n ASP 140 Ca 0.08 0.37 -0.33 0.00 -0.01 0.00 0.00 54.79 54.90 3a8k n ASP 140 Cb 0.10 -0.45 -0.09 0.00 -1.03 0.00 0.00 41.12 39.65 3a8k n ASP 140 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3a8k s LEU 141 N -2.90 3.52 0.47 -2.12 1.43 -0.82 -1.44 118.68 116.82 3a8k s LEU 141 Ca 0.15 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 3a8k s LEU 141 Cb 0.17 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.43 3a8k s LEU 141 CO 0.45 0.30 0.42 -0.44 0.23 0.00 0.00 176.35 177.32 3a8k s SER 142 N -1.40 4.90 -0.19 2.29 0.01 0.31 -4.81 113.70 114.81 3a8k s SER 142 Ca 0.18 -0.93 -0.22 0.00 1.31 0.00 0.00 55.95 56.29 3a8k s SER 142 Cb -0.11 -0.17 0.06 0.00 0.21 0.00 0.00 66.02 66.00 3a8k s SER 142 CO 0.08 -0.86 0.60 -0.32 0.41 0.00 0.00 173.24 173.16 3a8k s MET 143 N -4.22 0.76 -0.06 12.44 1.75 -1.26 -1.53 119.30 127.17 3a8k s MET 143 Ca 0.45 0.69 0.02 0.00 -1.25 0.00 0.00 55.69 55.61 3a8k s MET 143 Cb -0.03 0.37 0.01 0.00 2.84 0.00 0.00 34.83 38.02 3a8k s MET 143 CO 0.27 -0.13 -0.12 0.42 -0.65 0.00 0.00 175.02 174.81 3a8k s ILE 144 N -0.01 1.12 -0.21 10.11 1.01 -0.31 -0.75 121.20 132.16 3a8k s ILE 144 Ca -0.02 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 3a8k s ILE 144 Cb -0.04 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 3a8k s ILE 144 CO 0.02 0.35 0.18 0.00 0.00 0.00 0.00 174.94 175.49 3a8k s ALA 145 N 0.64 3.64 -0.19 9.38 0.00 -0.23 -0.89 121.76 134.10 3a8k s ALA 145 Ca -0.14 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3a8k s ALA 145 Cb -0.15 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.69 3a8k s ALA 145 CO 0.04 0.00 -0.13 0.08 0.00 0.00 0.00 175.76 175.75 3a8k s VAL 146 N 0.67 2.70 0.01 0.00 1.01 0.24 -0.47 120.40 124.55 3a8k s VAL 146 Ca 0.09 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3a8k s VAL 146 Cb -0.12 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 3a8k s VAL 146 CO 0.01 0.49 -0.05 -1.10 0.00 0.00 0.00 175.10 174.45 3a8k s GLN 147 N 1.32 0.37 0.00 2.72 -1.52 0.11 -0.68 119.66 121.97 3a8k s GLN 147 Ca 0.04 -0.35 0.00 0.00 -1.95 0.00 0.00 55.36 53.10 3a8k s GLN 147 Cb -0.14 -0.26 0.00 0.00 -0.22 0.00 0.00 33.01 32.39 3a8k s GLN 147 CO -0.07 0.06 0.00 0.41 -0.25 0.00 0.00 175.29 175.44 3a8k n GLY 148 N 2.44 3.08 0.31 3.09 0.00 0.57 -0.97 105.19 113.71 3a8k n GLY 148 Ca -0.16 -1.88 0.20 0.00 0.00 0.00 0.00 46.02 44.17 3a8k n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a8k h PRO 149 N 0.00 0.00 -0.38 1.61 0.13 -1.56 -1.29 132.00 130.51 3a8k h PRO 149 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3a8k h PRO 149 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3a8k h PRO 149 CO 0.00 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 177.87 3a8k n ASN 150 N -3.14 3.02 -0.06 1.44 3.02 0.56 -4.75 115.26 115.34 3a8k n ASN 150 Ca -0.02 -1.98 -0.13 0.00 -0.03 0.00 0.00 54.58 52.43 3a8k n ASN 150 Cb 0.18 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.03 3a8k n ASN 150 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a8k h ALA 151 N 2.34 0.25 -0.55 5.41 0.00 -1.24 -0.99 119.26 124.48 3a8k h ALA 151 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3a8k h ALA 151 Cb 0.75 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3a8k h ALA 151 CO 0.00 0.13 0.17 1.96 0.00 0.00 0.00 179.25 181.50 3a8k h GLN 152 N 0.07 0.86 -0.37 0.00 4.20 -1.86 0.36 115.11 118.36 3a8k h GLN 152 Ca 0.03 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 3a8k h GLN 152 Cb 0.65 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3a8k h GLN 152 CO 0.04 0.79 -0.02 0.00 -0.67 0.00 0.00 178.83 178.96 3a8k h ALA 153 N 1.03 0.51 -0.31 3.87 0.00 -1.84 0.11 119.26 122.63 3a8k h ALA 153 Ca 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3a8k h ALA 153 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3a8k h ALA 153 CO -0.00 0.30 0.17 0.87 0.00 0.00 0.00 179.25 180.59 3a8k h LYS 154 N 0.49 0.43 -0.82 0.00 1.57 -1.03 -2.77 116.57 114.44 3a8k h LYS 154 Ca 0.10 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3a8k h LYS 154 Cb 0.50 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 3a8k h LYS 154 CO 0.02 0.37 0.37 0.00 -0.57 0.00 0.00 179.45 179.64 3a8k h ALA 155 N 1.04 1.10 0.00 3.86 0.00 -0.83 -2.57 119.26 121.86 3a8k h ALA 155 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3a8k h ALA 155 Cb 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3a8k h ALA 155 CO -0.02 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3a8k n ALA 156 N -2.43 1.48 0.29 0.00 0.00 0.02 -0.77 120.51 119.11 3a8k n ALA 156 Ca 0.08 0.08 0.16 0.00 0.00 0.00 0.00 53.44 53.75 3a8k n ALA 156 Cb 0.16 -1.31 0.90 0.00 0.00 0.00 0.00 19.45 19.19 3a8k n ALA 156 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3a8k h THR 157 N 0.00 0.45 0.00 0.00 1.35 -1.18 -2.83 112.91 110.69 3a8k h THR 157 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3a8k h THR 157 Cb 0.24 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3a8k h THR 157 CO 0.00 0.04 -0.59 0.18 -0.25 0.00 0.00 175.52 174.90 3a8k n LEU 158 N -3.65 0.56 -4.78 3.87 4.77 0.05 -4.92 117.00 112.90 3a8k n LEU 158 Ca -0.03 0.04 -0.37 0.00 -0.03 0.00 0.00 56.01 55.63 3a8k n LEU 158 Cb 0.13 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 3a8k n LEU 158 CO 0.27 0.08 0.70 -0.36 -1.33 0.00 0.00 177.39 176.75 3a8k s PHE 159 N -3.06 3.50 1.12 -1.77 0.08 -1.07 -5.07 117.98 111.71 3a8k s PHE 159 Ca 0.09 1.72 -0.19 0.00 0.12 0.00 0.00 56.93 58.67 3a8k s PHE 159 Cb 0.16 -3.05 0.27 0.00 -0.57 0.00 0.00 43.02 39.83 3a8k s PHE 159 CO 0.72 -0.22 1.24 0.54 -0.10 0.00 0.00 175.22 177.40 3a8k s ASN 160 N -1.52 1.71 0.20 1.36 2.20 -1.26 -4.78 114.94 112.85 3a8k s ASN 160 Ca 0.53 0.31 -0.08 0.00 -0.94 0.00 0.00 52.86 52.68 3a8k s ASN 160 Cb -0.21 -0.33 0.12 0.00 -2.00 0.00 0.00 41.25 38.82 3a8k s ASN 160 CO 0.27 -3.61 1.67 0.44 -2.94 0.00 0.00 177.10 172.94 3a8k h ASP 161 N -2.24 1.01 -0.28 3.54 3.32 -1.98 -0.65 116.42 119.14 3a8k h ASP 161 Ca -0.43 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.27 3a8k h ASP 161 Cb 1.24 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 3a8k h ASP 161 CO 0.30 1.05 -0.08 0.00 -1.72 0.00 0.00 179.24 178.79 3a8k h ALA 162 N 1.05 1.13 -0.31 3.45 0.00 -1.99 -0.67 119.26 121.92 3a8k h ALA 162 Ca 0.17 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3a8k h ALA 162 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3a8k h ALA 162 CO 0.03 0.55 -0.21 1.96 0.00 0.00 0.00 179.25 181.58 3a8k h GLN 163 N 0.62 0.68 -0.68 0.00 4.20 -1.82 -1.15 115.11 116.97 3a8k h GLN 163 Ca 0.11 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 3a8k h GLN 163 Cb 0.51 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 3a8k h GLN 163 CO 0.03 0.93 0.23 0.00 -0.67 0.00 0.00 178.83 179.35 3a8k h ARG 164 N 0.44 1.02 -0.61 1.46 3.08 -0.94 -2.67 114.38 116.16 3a8k h ARG 164 Ca 0.06 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3a8k h ARG 164 Cb 0.75 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3a8k h ARG 164 CO 0.06 0.85 0.38 1.96 -1.07 0.00 0.00 179.97 182.15 3a8k h GLN 165 N 0.99 0.82 -0.64 0.04 1.08 -0.91 -1.96 115.11 114.52 3a8k h GLN 165 Ca 0.22 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 3a8k h GLN 165 Cb 0.24 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 3a8k h GLN 165 CO -0.01 0.57 0.37 0.00 -0.95 0.00 0.00 178.83 178.81 3a8k h ALA 166 N 1.20 1.44 -0.63 3.87 0.00 -0.90 -3.01 119.26 121.24 3a8k h ALA 166 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3a8k h ALA 166 Cb -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3a8k h ALA 166 CO -0.04 0.47 0.00 1.33 0.00 0.00 0.00 179.25 181.01 3a8k n VAL 167 N -4.39 0.89 -1.67 0.00 0.24 -1.04 -4.93 118.33 107.44 3a8k n VAL 167 Ca 0.06 -0.94 -0.43 0.00 -2.04 0.00 0.00 64.34 60.99 3a8k n VAL 167 Cb 0.08 0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 33.03 3a8k n VAL 167 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3a8k n GLU 168 N 1.52 2.77 -1.32 7.34 2.13 -0.76 -1.19 120.64 131.14 3a8k n GLU 168 Ca 0.22 1.01 -0.11 0.00 0.66 0.00 0.00 57.16 58.95 3a8k n GLU 168 Cb 0.60 -2.95 -0.05 0.00 0.27 0.00 0.00 31.44 29.32 3a8k n GLU 168 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a8k n GLY 169 N 4.48 1.12 3.73 8.31 0.00 -1.26 -4.93 105.19 116.64 3a8k n GLY 169 Ca 0.20 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3a8k n GLY 169 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3a8k n MET 170 N -1.58 2.63 -1.98 1.61 1.56 -0.33 -4.98 117.12 114.06 3a8k n MET 170 Ca -0.11 0.94 -0.29 0.00 -0.27 0.00 0.00 57.70 57.96 3a8k n MET 170 Cb 0.50 -2.72 0.05 0.00 2.15 0.00 0.00 33.22 33.20 3a8k n MET 170 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 3a8k s LYS 171 N -0.20 2.81 0.54 2.12 -0.14 -1.26 -5.02 119.74 118.59 3a8k s LYS 171 Ca 0.67 0.35 -0.20 0.00 -1.36 0.00 0.00 55.97 55.43 3a8k s LYS 171 Cb -0.52 -2.06 -0.07 0.00 -1.68 0.00 0.00 37.83 33.50 3a8k s LYS 171 CO 0.46 -1.01 0.92 -2.30 -0.76 0.00 0.00 175.35 172.65 3a8k n PRO 172 N -2.95 1.00 -3.41 -1.68 -0.02 -1.26 -3.56 135.00 123.11 3a8k n PRO 172 Ca 0.07 0.38 -0.18 0.00 -2.02 0.00 0.00 63.50 61.74 3a8k n PRO 172 Cb 0.57 -2.06 0.08 0.00 -0.02 0.00 0.00 33.50 32.07 3a8k n PRO 172 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3a8k n PHE 173 N -1.32 -2.26 -4.23 6.00 3.01 0.05 -4.93 117.46 113.78 3a8k n PHE 173 Ca 0.12 0.92 -0.20 0.00 1.01 0.00 0.00 57.45 59.29 3a8k n PHE 173 Cb 0.45 -4.93 -0.12 0.00 -0.01 0.00 0.00 39.48 34.86 3a8k n PHE 173 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3a8k s PHE 174 N -3.33 1.41 0.02 1.38 0.08 -1.23 -0.32 117.98 115.98 3a8k s PHE 174 Ca 0.14 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.77 3a8k s PHE 174 Cb -0.06 -0.79 -0.02 0.00 -0.57 0.00 0.00 43.02 41.59 3a8k s PHE 174 CO 0.70 0.10 -0.07 0.20 -0.10 0.00 0.00 175.22 176.05 3a8k s GLY 175 N -1.72 0.43 -0.06 4.36 0.00 0.67 -0.10 107.32 110.90 3a8k s GLY 175 Ca 0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 44.72 44.12 3a8k s GLY 175 CO 0.03 -0.58 0.14 0.54 0.00 0.00 0.00 173.10 173.23 3a8k s VAL 176 N -0.87 -0.01 -0.07 1.40 0.11 -0.23 -4.41 120.40 116.32 3a8k s VAL 176 Ca -0.05 0.05 -0.24 0.00 -2.93 0.00 0.00 61.98 58.82 3a8k s VAL 176 Cb -0.07 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 3a8k s VAL 176 CO 0.00 0.02 0.71 -1.58 -3.33 0.00 0.00 175.10 170.92 3a8k s GLN 177 N 0.38 4.43 -0.32 1.54 2.00 -1.26 -0.52 119.66 125.91 3a8k s GLN 177 Ca -0.03 0.89 -0.00 0.00 -2.00 0.00 0.00 55.36 54.22 3a8k s GLN 177 Cb -0.04 -3.45 0.13 0.00 0.80 0.00 0.00 33.01 30.45 3a8k s GLN 177 CO -0.02 0.04 0.27 0.00 -0.50 0.00 0.00 175.29 175.08 3a8k s ALA 178 N 0.88 -0.03 0.00 1.58 0.00 0.92 -4.99 121.76 120.11 3a8k s ALA 178 Ca 0.38 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3a8k s ALA 178 Cb -0.18 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.20 3a8k s ALA 178 CO 0.18 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.50 3a8k n GLY 179 N 4.89 2.63 0.28 0.00 0.00 -1.26 -2.43 105.19 109.30 3a8k n GLY 179 Ca 0.02 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.64 3a8k n GLY 179 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a8k n ASP 180 N 2.34 0.76 -4.40 1.61 5.68 -1.26 -4.77 116.55 116.51 3a8k n ASP 180 Ca 0.00 -2.02 -0.33 0.00 -0.50 0.00 0.00 54.79 51.94 3a8k n ASP 180 Cb 0.00 -0.15 -0.14 0.00 -1.14 0.00 0.00 41.12 39.70 3a8k n ASP 180 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3a8k s LEU 181 N -0.90 2.86 -0.32 -2.12 1.43 -1.02 -4.28 118.68 114.32 3a8k s LEU 181 Ca 0.07 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 3a8k s LEU 181 Cb 0.04 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3a8k s LEU 181 CO 0.04 0.17 0.25 0.12 0.23 0.00 0.00 176.35 177.16 3a8k s PHE 182 N 0.36 3.23 -0.17 0.29 5.36 0.13 -0.06 117.98 127.12 3a8k s PHE 182 Ca -0.09 -0.08 -0.01 0.00 -0.96 0.00 0.00 56.93 55.79 3a8k s PHE 182 Cb -0.15 -2.48 -0.01 0.00 -0.34 0.00 0.00 43.02 40.04 3a8k s PHE 182 CO 0.05 -0.31 -0.11 0.42 -1.46 0.00 0.00 175.22 173.81 3a8k s ILE 183 N 1.78 3.00 0.00 3.12 1.01 0.32 -1.23 121.20 129.21 3a8k s ILE 183 Ca 0.07 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.11 3a8k s ILE 183 Cb -0.17 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 3a8k s ILE 183 CO 0.11 0.49 -0.12 0.00 0.00 0.00 0.00 174.94 175.41 3a8k s ALA 184 N 0.90 1.03 -1.23 9.38 0.00 -0.73 -1.06 121.76 130.04 3a8k s ALA 184 Ca -0.03 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.27 3a8k s ALA 184 Cb -0.15 -0.24 0.20 0.00 0.00 0.00 0.00 23.12 22.93 3a8k s ALA 184 CO -0.00 0.24 1.78 0.25 0.00 0.00 0.00 175.76 178.03 3a8k n THR 185 N 2.61 4.57 -4.47 0.00 -2.24 0.86 -0.86 114.28 114.75 3a8k n THR 185 Ca -0.15 -4.75 -0.23 0.00 -2.27 0.00 0.00 64.05 56.65 3a8k n THR 185 Cb 0.56 -2.30 -0.09 0.00 -2.10 0.00 0.00 70.33 66.40 3a8k n THR 185 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a8k s THR 186 N -0.32 0.68 0.00 4.28 -4.23 -1.26 -0.77 115.64 114.01 3a8k s THR 186 Ca 0.38 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3a8k s THR 186 Cb 0.08 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.44 3a8k s THR 186 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3a8k n GLY 187 N -0.80 -0.42 0.97 3.99 0.00 -1.26 -4.02 105.19 103.66 3a8k n GLY 187 Ca -0.04 -1.14 0.05 0.00 0.00 0.00 0.00 46.02 44.89 3a8k n GLY 187 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3a8k n TYR 188 N -0.57 0.00 0.00 1.61 9.36 -1.26 -4.83 117.16 121.47 3a8k n TYR 188 Ca 0.00 -0.86 0.00 0.00 3.32 0.00 0.00 57.90 60.36 3a8k n TYR 188 Cb 0.00 -0.18 0.00 0.00 -0.63 0.00 0.00 39.34 38.53 3a8k n TYR 188 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3a8k n THR 189 N -0.28 0.00 -0.06 2.97 -2.24 -1.26 -3.45 114.28 109.95 3a8k n THR 189 Ca 0.11 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3a8k n THR 189 Cb 0.90 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 3a8k n THR 189 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a8k n GLY 190 N 1.66 1.02 3.80 3.38 0.00 -1.26 -4.65 105.19 109.14 3a8k n GLY 190 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3a8k n GLY 190 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a8k s GLU 191 N -0.64 2.47 0.85 1.61 0.41 -1.26 -4.49 118.70 117.65 3a8k s GLU 191 Ca 0.00 -1.55 -0.11 0.00 -0.41 0.00 0.00 54.97 52.91 3a8k s GLU 191 Cb 0.00 -2.26 0.10 0.00 -1.78 0.00 0.00 34.13 30.19 3a8k s GLU 191 CO 0.00 -0.02 1.10 0.00 -0.49 0.00 0.00 175.26 175.85 3a8k s ALA 192 N -2.45 1.78 0.00 5.21 0.00 -1.26 -4.72 121.76 120.32 3a8k s ALA 192 Ca 0.42 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3a8k s ALA 192 Cb -0.02 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3a8k s ALA 192 CO 0.25 -2.23 0.00 0.41 0.00 0.00 0.00 175.76 174.19 3a8k n GLY 193 N -0.79 -0.46 3.20 0.00 0.00 -1.26 -0.31 105.19 105.56 3a8k n GLY 193 Ca 0.09 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 3a8k n GLY 193 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a8k s TYR 194 N -2.95 1.08 -0.11 1.61 2.02 0.14 -4.24 117.35 114.91 3a8k s TYR 194 Ca 0.00 -0.77 0.01 0.00 -0.37 0.00 0.00 57.07 55.94 3a8k s TYR 194 Cb 0.00 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.96 3a8k s TYR 194 CO 0.00 -0.01 -0.15 -1.21 -1.57 0.00 0.00 175.55 172.60 3a8k s GLU 195 N -3.45 3.13 -0.16 -0.62 2.02 -0.04 -0.60 118.70 118.98 3a8k s GLU 195 Ca 0.11 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.38 3a8k s GLU 195 Cb 0.02 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.75 3a8k s GLU 195 CO -0.01 0.30 -0.17 0.42 0.02 0.00 0.00 175.26 175.82 3a8k s ILE 196 N 0.11 1.78 -0.02 -1.63 1.01 -0.07 -1.77 121.20 120.61 3a8k s ILE 196 Ca -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3a8k s ILE 196 Cb -0.15 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3a8k s ILE 196 CO 0.05 0.49 0.02 0.00 0.00 0.00 0.00 174.94 175.50 3a8k s ALA 197 N 1.40 3.37 0.20 9.38 0.00 -0.36 -1.17 121.76 134.59 3a8k s ALA 197 Ca 0.05 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 3a8k s ALA 197 Cb -0.13 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 21.60 3a8k s ALA 197 CO -0.12 0.65 0.59 -0.48 0.00 0.00 0.00 175.76 176.41 3a8k s LEU 198 N -1.51 -0.22 0.62 0.00 2.34 -0.58 -0.69 118.68 118.64 3a8k s LEU 198 Ca 0.19 -0.35 -0.19 0.00 0.06 0.00 0.00 54.13 53.84 3a8k s LEU 198 Cb -0.12 2.43 -0.02 0.00 -0.56 0.00 0.00 46.19 47.92 3a8k s LEU 198 CO 0.10 -1.10 1.31 -2.84 -1.06 0.00 0.00 176.35 172.77 3a8k s PRO 199 N -3.84 2.73 0.34 1.48 0.02 -1.26 -0.53 135.00 133.93 3a8k s PRO 199 Ca 0.07 2.12 0.06 0.00 0.02 0.00 0.00 61.00 63.26 3a8k s PRO 199 Cb -0.02 -1.96 0.71 0.00 0.02 0.00 0.00 34.50 33.25 3a8k s PRO 199 CO -0.04 -1.48 1.90 -0.91 -0.33 0.00 0.00 177.00 176.14 3a8k h ASN 200 N 0.81 0.74 0.55 2.53 2.35 -1.56 0.16 115.58 121.16 3a8k h ASN 200 Ca -0.51 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3a8k h ASN 200 Cb 1.33 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3a8k h ASN 200 CO 0.54 0.43 0.00 -1.84 -1.65 0.00 0.00 177.43 174.91 3a8k n GLU 201 N -4.53 0.38 0.00 0.81 0.00 -1.26 -2.38 120.64 113.66 3a8k n GLU 201 Ca 0.15 0.02 0.08 0.00 0.00 0.00 0.00 57.16 57.41 3a8k n GLU 201 Cb 0.34 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.23 3a8k n GLU 201 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3a8k n LYS 202 N -1.30 1.71 0.01 3.44 4.76 0.55 -4.71 118.16 122.64 3a8k n LYS 202 Ca 0.13 -0.36 -0.19 0.00 -2.87 0.00 0.00 58.31 55.02 3a8k n LYS 202 Cb 0.23 -1.27 -0.10 0.00 -1.84 0.00 0.00 35.03 32.05 3a8k n LYS 202 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3a8k h ALA 203 N 2.53 0.15 -0.61 7.82 0.00 -1.30 -2.46 119.26 125.40 3a8k h ALA 203 Ca 0.00 -0.63 0.07 0.00 0.00 0.00 0.00 54.91 54.34 3a8k h ALA 203 Cb 0.46 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3a8k h ALA 203 CO 0.00 0.58 0.30 0.00 0.00 0.00 0.00 179.25 180.13 3a8k h ALA 204 N 0.42 0.80 -0.01 0.00 0.00 -1.83 0.10 119.26 118.73 3a8k h ALA 204 Ca -0.10 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3a8k h ALA 204 Cb 1.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3a8k h ALA 204 CO 0.17 -0.06 -0.79 -0.44 0.00 0.00 0.00 179.25 178.13 3a8k h ASP 205 N 0.55 0.21 -0.33 0.00 3.32 -1.86 -1.35 116.42 116.97 3a8k h ASP 205 Ca 0.28 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3a8k h ASP 205 Cb 0.23 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3a8k h ASP 205 CO -0.21 0.91 -0.04 0.15 -1.72 0.00 0.00 179.24 178.33 3a8k h PHE 206 N 0.10 0.67 -0.31 4.55 3.57 -0.94 -1.47 116.94 123.12 3a8k h PHE 206 Ca -0.03 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.39 3a8k h PHE 206 Cb 1.38 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 3a8k h PHE 206 CO 0.02 0.75 0.06 2.35 -2.23 0.00 0.00 178.31 179.26 3a8k h TRP 207 N 0.39 0.10 -0.46 0.41 2.91 -0.57 0.08 115.95 118.81 3a8k h TRP 207 Ca 0.09 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.20 3a8k h TRP 207 Cb 0.51 0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 29.10 3a8k h TRP 207 CO 0.04 0.02 0.08 -0.09 -1.03 0.00 0.00 178.44 177.47 3a8k h ARG 208 N 0.17 0.21 -0.82 2.65 2.43 -1.19 -0.31 114.38 117.51 3a8k h ARG 208 Ca 0.14 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3a8k h ARG 208 Cb 0.16 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3a8k h ARG 208 CO -0.19 0.14 0.38 0.00 -1.51 0.00 0.00 179.97 178.78 3a8k h ALA 209 N 1.36 1.12 -0.38 2.80 0.00 -0.89 -1.82 119.26 121.45 3a8k h ALA 209 Ca 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3a8k h ALA 209 Cb 0.30 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3a8k h ALA 209 CO -0.31 0.65 0.10 -0.07 0.00 0.00 0.00 179.25 179.63 3a8k h LEU 210 N 1.17 0.58 -0.57 0.00 3.38 -0.32 0.10 115.31 119.65 3a8k h LEU 210 Ca 0.28 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.14 3a8k h LEU 210 Cb 0.14 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 3a8k h LEU 210 CO -0.03 0.65 -0.02 0.58 0.09 0.00 0.00 178.44 179.71 3a8k h VAL 211 N 0.47 0.53 0.00 1.22 2.07 -0.82 -0.88 116.25 118.84 3a8k h VAL 211 Ca 0.12 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 3a8k h VAL 211 Cb 0.29 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3a8k h VAL 211 CO -0.00 0.02 -0.23 -0.33 0.02 0.00 0.00 177.57 177.05 3a8k h GLU 212 N 0.10 0.00 0.00 1.57 5.08 -1.06 0.10 114.58 120.38 3a8k h GLU 212 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3a8k h GLU 212 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3a8k h GLU 212 CO -0.49 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 177.75 3a8k n ALA 213 N -2.27 2.53 -0.49 3.43 0.00 -0.00 -4.87 120.51 118.83 3a8k n ALA 213 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3a8k n ALA 213 Cb 0.38 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3a8k n ALA 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8k n GLY 214 N 0.69 0.71 3.66 0.00 0.00 0.35 -4.90 105.19 105.70 3a8k n GLY 214 Ca 0.15 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3a8k n GLY 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a8k s VAL 215 N -2.00 4.94 0.02 1.61 1.01 -0.79 -4.74 120.40 120.46 3a8k s VAL 215 Ca 0.00 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 3a8k s VAL 215 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3a8k s VAL 215 CO 0.00 0.06 0.96 -0.75 0.00 0.00 0.00 175.10 175.37 3a8k s LYS 216 N 2.06 4.59 0.15 2.72 2.20 -0.60 -4.19 119.74 126.67 3a8k s LYS 216 Ca 0.34 1.39 -0.32 0.00 -0.36 0.00 0.00 55.97 57.03 3a8k s LYS 216 Cb -0.16 -3.44 -0.11 0.00 -1.51 0.00 0.00 37.83 32.61 3a8k s LYS 216 CO 0.11 0.02 1.80 -2.30 -0.36 0.00 0.00 175.35 174.62 3a8k n PRO 217 N 3.61 2.77 -4.57 4.03 -0.02 -1.26 -0.48 135.00 139.08 3a8k n PRO 217 Ca 0.05 1.00 -0.21 0.00 -2.02 0.00 0.00 63.50 62.32 3a8k n PRO 217 Cb 0.51 -2.88 -0.15 0.00 -0.02 0.00 0.00 33.50 30.95 3a8k n PRO 217 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a8k n GLY 219 N 2.84 3.42 0.17 0.00 0.00 -1.26 -4.40 105.19 105.95 3a8k n GLY 219 Ca -0.15 -2.06 0.01 0.00 0.00 0.00 0.00 46.02 43.82 3a8k n GLY 219 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a8k h LEU 220 N 0.00 0.00 0.16 0.99 3.38 -0.66 -1.31 115.31 117.86 3a8k h LEU 220 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3a8k h LEU 220 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3a8k h LEU 220 CO 0.00 0.46 -0.08 1.23 0.09 0.00 0.00 178.44 180.14 3a8k h GLY 221 N 1.39 -0.22 1.82 0.83 0.00 -1.46 -0.91 103.07 104.51 3a8k h GLY 221 Ca -0.00 0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 3a8k h GLY 221 CO 0.06 -0.08 -0.45 0.00 0.00 0.00 0.00 176.54 176.07 3a8k h ALA 222 N 0.55 1.09 -0.49 3.60 0.00 -1.73 -2.46 119.26 119.83 3a8k h ALA 222 Ca -0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3a8k h ALA 222 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3a8k h ALA 222 CO 0.04 0.61 0.27 -0.09 0.00 0.00 0.00 179.25 180.07 3a8k h ARG 223 N 0.16 0.66 -0.19 0.00 2.43 -0.50 -1.47 114.38 115.48 3a8k h ARG 223 Ca 0.01 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 3a8k h ARG 223 Cb 0.86 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3a8k h ARG 223 CO 0.07 0.49 -0.33 0.22 -1.51 0.00 0.00 179.97 178.90 3a8k h ASP 224 N 0.67 0.61 -0.46 -3.80 3.58 -0.80 -2.03 116.42 114.20 3a8k h ASP 224 Ca 0.17 -0.54 -0.12 0.00 0.42 0.00 0.00 57.03 56.96 3a8k h ASP 224 Cb 0.02 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3a8k h ASP 224 CO -0.03 1.03 -0.20 0.71 -2.88 0.00 0.00 179.24 177.88 3a8k h THR 225 N 0.21 1.27 -0.19 2.25 1.35 -1.07 -1.44 112.91 115.30 3a8k h THR 225 Ca 0.01 -1.35 -0.02 0.00 -0.55 0.00 0.00 66.41 64.50 3a8k h THR 225 Cb 0.92 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 3a8k h THR 225 CO 0.07 0.46 0.05 -0.07 -0.25 0.00 0.00 175.52 175.79 3a8k h LEU 226 N 0.78 0.28 -0.86 3.87 3.38 -1.35 -2.04 115.31 119.37 3a8k h LEU 226 Ca 0.10 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3a8k h LEU 226 Cb 0.77 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3a8k h LEU 226 CO 0.06 0.42 -0.31 0.08 0.09 0.00 0.00 178.44 178.78 3a8k h ARG 227 N 0.12 0.48 -0.11 1.13 -0.00 -1.25 -1.87 114.38 112.88 3a8k h ARG 227 Ca 0.06 -0.20 -0.08 0.00 -0.00 0.00 0.00 59.98 59.75 3a8k h ARG 227 Cb 0.25 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.20 3a8k h ARG 227 CO -0.00 0.74 -0.26 1.25 -0.00 0.00 0.00 179.97 181.70 3a8k h LEU 228 N 0.42 0.41 -1.33 0.08 5.85 -1.26 0.35 115.31 119.83 3a8k h LEU 228 Ca 0.05 -0.58 0.12 0.00 0.84 0.00 0.00 57.88 58.31 3a8k h LEU 228 Cb 0.75 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 3a8k h LEU 228 CO 0.06 0.92 0.54 -0.33 -0.34 0.00 0.00 178.44 179.29 3a8k h GLU 229 N -0.08 0.67 -0.01 1.25 5.08 -1.31 0.81 114.58 121.00 3a8k h GLU 229 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3a8k h GLU 229 Cb 0.86 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3a8k h GLU 229 CO 0.06 0.45 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 3a8k n ALA 230 N -2.44 2.66 -1.89 3.43 0.00 -0.71 -0.89 120.51 120.66 3a8k n ALA 230 Ca 0.15 -0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 3a8k n ALA 230 Cb 0.41 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 3a8k n ALA 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8k n GLY 231 N 1.02 0.30 3.86 0.00 0.00 0.28 -4.79 105.19 105.85 3a8k n GLY 231 Ca 0.22 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 3a8k n GLY 231 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a8k s MET 232 N -3.88 3.58 0.43 1.61 -1.94 0.04 -4.88 119.30 114.27 3a8k s MET 232 Ca 0.00 -0.03 -0.23 0.00 -1.71 0.00 0.00 55.69 53.72 3a8k s MET 232 Cb 0.00 -3.21 -0.09 0.00 2.01 0.00 0.00 34.83 33.54 3a8k s MET 232 CO 0.00 0.73 1.04 -0.80 -0.01 0.00 0.00 175.02 175.97 3a8k s ASN 233 N -0.93 6.64 -0.22 3.03 0.01 -1.26 -4.53 114.94 117.68 3a8k s ASN 233 Ca 0.16 1.98 -0.04 0.00 -0.71 0.00 0.00 52.86 54.25 3a8k s ASN 233 Cb -0.13 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 38.95 3a8k s ASN 233 CO 0.05 -0.57 -0.04 -0.22 -1.51 0.00 0.00 177.10 174.81 3a8k s LEU 234 N -2.94 2.93 0.34 0.60 2.96 -1.26 -5.01 118.68 116.30 3a8k s LEU 234 Ca 0.61 -0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 53.86 3a8k s LEU 234 Cb -0.19 -1.75 -0.11 0.00 0.50 0.00 0.00 46.19 44.64 3a8k s LEU 234 CO 0.24 -0.01 1.53 0.00 -1.32 0.00 0.00 176.35 176.79 3a8k n TYR 235 N 4.76 2.94 0.00 5.38 9.36 -1.26 -1.48 117.16 136.86 3a8k n TYR 235 Ca -0.18 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.41 3a8k n TYR 235 Cb 0.51 -2.56 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 3a8k n TYR 235 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3a8k n GLY 236 N 1.15 3.32 0.78 2.98 0.00 0.52 -4.86 105.19 109.08 3a8k n GLY 236 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 3a8k n GLY 236 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3a8k n GLN 237 N -1.39 0.04 0.26 1.61 6.02 -0.55 -4.75 117.38 118.62 3a8k n GLN 237 Ca 0.00 0.02 0.13 0.00 -0.01 0.00 0.00 57.00 57.14 3a8k n GLN 237 Cb 0.00 -0.33 0.64 0.00 1.02 0.00 0.00 30.24 31.57 3a8k n GLN 237 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3a8k h GLU 238 N -0.08 0.00 -3.01 -1.09 3.07 -1.69 -3.44 114.58 108.33 3a8k h GLU 238 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3a8k h GLU 238 Cb 0.08 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.88 3a8k h GLU 238 CO 0.00 0.12 0.20 0.00 -1.40 0.00 0.00 179.01 177.94 3a8k s MET 239 N -3.83 1.29 0.00 2.33 0.23 -1.26 -4.59 119.30 113.46 3a8k s MET 239 Ca -0.01 -0.49 0.00 0.00 -1.03 0.00 0.00 55.69 54.17 3a8k s MET 239 Cb 0.11 0.59 0.00 0.00 -1.53 0.00 0.00 34.83 34.00 3a8k s MET 239 CO 0.58 -0.56 0.00 -0.40 -2.03 0.00 0.00 175.02 172.61 3a8k n ASP 240 N -0.38 0.00 0.19 -1.18 5.68 -1.26 -0.35 116.55 119.25 3a8k n ASP 240 Ca -0.17 -0.74 0.14 0.00 -0.50 0.00 0.00 54.79 53.52 3a8k n ASP 240 Cb 0.65 0.00 0.67 0.00 -1.14 0.00 0.00 41.12 41.30 3a8k n ASP 240 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3a8k h GLU 241 N 0.00 0.00 -0.01 0.11 5.08 -1.78 -0.43 114.58 117.56 3a8k h GLU 241 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a8k h GLU 241 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3a8k h GLU 241 CO 0.00 0.00 -0.25 0.25 -1.00 0.00 0.00 179.01 178.01 3a8k n THR 242 N -2.47 0.00 -4.75 1.13 -2.24 -1.26 -4.17 114.28 100.51 3a8k n THR 242 Ca -0.00 -0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 3a8k n THR 242 Cb 0.13 0.34 -0.14 0.00 -2.10 0.00 0.00 70.33 68.56 3a8k n THR 242 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3a8k s ILE 243 N -2.51 3.15 0.40 2.28 -1.09 -0.20 -4.96 121.20 118.26 3a8k s ILE 243 Ca 0.24 -0.63 -0.25 0.00 -2.23 0.00 0.00 60.65 57.78 3a8k s ILE 243 Cb 0.19 -2.32 -0.09 0.00 -1.58 0.00 0.00 42.46 38.67 3a8k s ILE 243 CO 0.52 0.53 1.14 -0.55 -1.23 0.00 0.00 174.94 175.34 3a8k s SER 244 N 0.23 6.59 0.60 3.58 0.15 -1.26 -2.32 113.70 121.27 3a8k s SER 244 Ca -0.08 2.27 0.31 0.00 0.70 0.00 0.00 55.95 59.15 3a8k s SER 244 Cb -0.15 -2.61 1.86 0.00 -1.71 0.00 0.00 66.02 63.41 3a8k s SER 244 CO 0.05 -0.62 2.25 1.55 1.20 0.00 0.00 173.24 177.67 3a8k h PRO 245 N 2.63 0.00 0.00 5.44 0.13 -1.92 -0.92 132.00 137.36 3a8k h PRO 245 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3a8k h PRO 245 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3a8k h PRO 245 CO 0.63 0.00 -0.03 -0.07 -0.23 0.00 0.00 178.00 178.30 3a8k h LEU 246 N 0.00 0.00 -2.39 1.56 3.38 -1.91 -1.38 115.31 114.57 3a8k h LEU 246 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3a8k h LEU 246 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3a8k h LEU 246 CO -0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 3a8k n ALA 247 N -2.11 2.41 -1.86 1.53 0.00 -0.36 -4.26 120.51 115.87 3a8k n ALA 247 Ca 0.00 -1.09 0.05 0.00 0.00 0.00 0.00 53.44 52.40 3a8k n ALA 247 Cb 0.31 -0.93 0.13 0.00 0.00 0.00 0.00 19.45 18.96 3a8k n ALA 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a8k n ALA 248 N 1.46 2.98 -3.80 0.00 0.00 -0.89 -3.57 120.51 116.69 3a8k n ALA 248 Ca 0.21 -2.77 -0.29 0.00 0.00 0.00 0.00 53.44 50.59 3a8k n ALA 248 Cb 0.58 -0.49 0.02 0.00 0.00 0.00 0.00 19.45 19.56 3a8k n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a8k n ASN 249 N -0.56 -4.62 -0.61 0.00 5.15 -1.22 -4.86 115.26 108.55 3a8k n ASN 249 Ca 0.13 -0.71 0.07 0.00 -0.60 0.00 0.00 54.58 53.47 3a8k n ASN 249 Cb 0.83 -3.71 0.10 0.00 -0.53 0.00 0.00 39.78 36.47 3a8k n ASN 249 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3a8k n MET 250 N -4.47 1.51 -0.32 1.20 2.81 -0.57 -4.68 117.12 112.59 3a8k n MET 250 Ca 0.03 -1.58 0.22 0.00 -1.81 0.00 0.00 57.70 54.57 3a8k n MET 250 Cb 0.53 -1.28 0.50 0.00 -0.71 0.00 0.00 33.22 32.26 3a8k n MET 250 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3a8k h GLY 251 N 2.53 1.27 2.00 3.03 0.00 -1.84 -1.31 103.07 108.75 3a8k h GLY 251 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3a8k h GLY 251 CO 0.00 -0.14 0.00 0.11 0.00 0.00 0.00 176.54 176.51 3a8k h TRP 252 N 0.41 0.00 -0.02 5.60 5.08 -1.94 -2.31 115.95 122.77 3a8k h TRP 252 Ca 0.60 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.57 3a8k h TRP 252 Cb 1.47 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.63 3a8k h TRP 252 CO -0.00 0.00 -0.06 0.25 -1.28 0.00 0.00 178.44 177.34 3a8k n THR 253 N -2.89 0.00 -2.79 0.12 -2.24 -0.50 -4.86 114.28 101.13 3a8k n THR 253 Ca 0.01 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 3a8k n THR 253 Cb 0.29 1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 3a8k n THR 253 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3a8k s ILE 254 N -2.07 4.77 -0.92 2.28 -1.09 -0.87 -2.90 121.20 120.40 3a8k s ILE 254 Ca 0.29 1.76 -0.15 0.00 -2.23 0.00 0.00 60.65 60.31 3a8k s ILE 254 Cb 0.20 -4.20 0.19 0.00 -1.58 0.00 0.00 42.46 37.07 3a8k s ILE 254 CO 0.34 -0.12 0.98 0.00 -1.23 0.00 0.00 174.94 174.92 3a8k s ALA 255 N 2.99 3.85 0.24 9.38 0.00 -0.79 -4.87 121.76 132.55 3a8k s ALA 255 Ca 0.39 -3.15 -0.05 0.00 0.00 0.00 0.00 51.96 49.15 3a8k s ALA 255 Cb -0.15 -3.77 0.25 0.00 0.00 0.00 0.00 23.12 19.45 3a8k s ALA 255 CO 0.07 -2.59 1.81 -1.49 0.00 0.00 0.00 175.76 173.56 3a8k h TRP 256 N 8.07 1.10 -3.01 0.00 4.06 -1.94 -3.42 115.95 120.81 3a8k h TRP 256 Ca 0.15 -0.08 -0.61 0.00 2.06 0.00 0.00 58.89 60.40 3a8k h TRP 256 Cb 1.01 -0.33 -0.06 0.00 -1.00 0.00 0.00 29.16 28.78 3a8k h TRP 256 CO 1.07 0.84 -0.25 -1.21 -3.56 0.00 0.00 178.44 175.34 3a8k s GLU 257 N -5.47 3.91 0.36 0.49 0.41 -1.26 -3.31 118.70 113.83 3a8k s GLU 257 Ca -0.11 0.31 -0.27 0.00 -0.41 0.00 0.00 54.97 54.48 3a8k s GLU 257 Cb 0.16 -3.25 -0.09 0.00 -1.78 0.00 0.00 34.13 29.17 3a8k s GLU 257 CO 0.83 0.62 1.19 -1.25 -0.49 0.00 0.00 175.26 176.16 3a8k s PRO 258 N -0.81 4.26 0.54 0.39 0.04 -1.26 -5.01 135.00 133.15 3a8k s PRO 258 Ca 0.22 1.93 0.23 0.00 0.04 0.00 0.00 61.00 63.42 3a8k s PRO 258 Cb -0.16 -2.89 1.50 0.00 0.04 0.00 0.00 34.50 33.00 3a8k s PRO 258 CO 0.11 -0.17 2.16 0.00 0.04 0.00 0.00 177.00 179.15 3a8k h ALA 259 N 3.08 1.65 -0.10 8.56 0.00 -1.93 -2.62 119.26 127.90 3a8k h ALA 259 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3a8k h ALA 259 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3a8k h ALA 259 CO 0.64 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 3a8k n ASP 260 N -4.08 0.71 -4.46 0.00 5.68 -1.26 -4.63 116.55 108.51 3a8k n ASP 260 Ca -0.03 -1.78 -0.44 0.00 -0.50 0.00 0.00 54.79 52.05 3a8k n ASP 260 Cb 0.13 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 39.99 3a8k n ASP 260 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3a8k s ARG 261 N -1.86 3.17 0.37 0.11 3.52 -0.99 -5.04 118.95 118.23 3a8k s ARG 261 Ca 0.19 -0.76 -0.24 0.00 -0.13 0.00 0.00 55.73 54.79 3a8k s ARG 261 Cb 0.10 -4.11 -0.10 0.00 -1.56 0.00 0.00 34.95 29.28 3a8k s ARG 261 CO 0.15 -1.35 0.99 0.34 -0.81 0.00 0.00 175.30 174.61 3a8k s ASP 262 N 2.87 7.02 0.11 -2.12 2.15 -1.26 -5.02 116.67 120.42 3a8k s ASP 262 Ca 0.19 1.91 -0.05 0.00 0.43 0.00 0.00 52.55 55.03 3a8k s ASP 262 Cb -0.18 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 39.85 3a8k s ASP 262 CO 0.13 -0.30 0.14 0.72 -0.17 0.00 0.00 175.17 175.69 3a8k s PHE 263 N -1.71 0.44 0.09 -5.34 -0.12 -1.26 -4.38 117.98 105.69 3a8k s PHE 263 Ca 0.55 -0.87 -0.31 0.00 -0.05 0.00 0.00 56.93 56.25 3a8k s PHE 263 Cb -0.19 -0.22 -0.08 0.00 -0.63 0.00 0.00 43.02 41.90 3a8k s PHE 263 CO 0.24 -0.55 1.52 0.42 -0.05 0.00 0.00 175.22 176.80 3a8k s ILE 264 N -3.94 3.14 0.00 -4.49 1.01 -0.55 -1.59 121.20 114.79 3a8k s ILE 264 Ca 0.13 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.48 3a8k s ILE 264 Cb 0.06 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 39.07 3a8k s ILE 264 CO -0.05 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.52 3a8k n GLY 265 N 3.75 1.36 0.27 6.18 0.00 -1.21 -4.41 105.19 111.13 3a8k n GLY 265 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 3a8k n GLY 265 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3a8k h ARG 266 N 3.13 0.94 -0.08 1.61 2.43 -1.62 0.13 114.38 120.93 3a8k h ARG 266 Ca 0.00 -0.30 0.02 0.00 -0.81 0.00 0.00 59.98 58.89 3a8k h ARG 266 Cb 0.00 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3a8k h ARG 266 CO 0.00 0.96 -0.04 1.49 -1.51 0.00 0.00 179.97 180.87 3a8k h GLU 267 N 0.82 -0.02 -0.90 0.20 4.81 -1.91 -0.34 114.58 117.23 3a8k h GLU 267 Ca 0.15 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3a8k h GLU 267 Cb 0.53 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 3a8k h GLU 267 CO 0.03 -0.02 0.60 0.00 -0.73 0.00 0.00 179.01 178.89 3a8k h ALA 268 N 1.05 1.15 -0.45 2.92 0.00 -1.73 -2.49 119.26 119.71 3a8k h ALA 268 Ca 0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3a8k h ALA 268 Cb 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3a8k h ALA 268 CO -0.10 0.54 0.04 1.25 0.00 0.00 0.00 179.25 180.98 3a8k h LEU 269 N 1.22 0.67 -0.76 0.00 5.85 -0.56 -0.14 115.31 121.60 3a8k h LEU 269 Ca 0.33 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3a8k h LEU 269 Cb -0.13 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 3a8k h LEU 269 CO -0.07 0.72 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.61 3a8k h GLU 270 N 0.68 0.89 -0.30 1.25 4.57 -0.68 0.11 114.58 121.09 3a8k h GLU 270 Ca 0.14 -0.28 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 3a8k h GLU 270 Cb 0.36 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 3a8k h GLU 270 CO 0.01 0.92 -0.16 0.28 -1.18 0.00 0.00 179.01 178.88 3a8k h VAL 271 N 0.81 1.29 -0.47 0.32 2.07 -1.11 -2.28 116.25 116.90 3a8k h VAL 271 Ca 0.14 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.42 3a8k h VAL 271 Cb 0.56 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 3a8k h VAL 271 CO 0.03 0.41 0.27 1.56 0.02 0.00 0.00 177.57 179.86 3a8k h GLN 272 N 0.39 0.53 0.00 1.57 4.20 -0.63 -1.20 115.11 119.97 3a8k h GLN 272 Ca 0.07 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3a8k h GLN 272 Cb 0.69 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3a8k h GLN 272 CO 0.05 0.35 -0.20 -0.09 -0.67 0.00 0.00 178.83 178.26 3a8k h ARG 273 N 0.54 0.00 0.12 1.46 2.43 -0.65 -0.39 114.38 117.89 3a8k h ARG 273 Ca 0.19 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.08 3a8k h ARG 273 Cb 0.03 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3a8k h ARG 273 CO -0.09 0.20 -1.30 0.93 -1.51 0.00 0.00 179.97 178.20 3a8k h GLU 274 N 0.00 0.25 0.00 0.20 5.08 -0.84 -3.06 114.58 116.21 3a8k h GLU 274 Ca -0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3a8k h GLU 274 Cb 0.53 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3a8k h GLU 274 CO 0.03 1.18 0.00 0.72 -1.00 0.00 0.00 179.01 179.93 3a8k n HIS 275 N -3.50 0.54 -0.54 4.33 8.25 -0.51 -5.06 115.22 118.74 3a8k n HIS 275 Ca -0.10 0.17 0.06 0.00 -0.26 0.00 0.00 57.72 57.59 3a8k n HIS 275 Cb 1.02 -0.78 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 3a8k n HIS 275 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a8k n GLY 276 N 1.06 -2.96 3.18 -1.41 0.00 -0.19 -5.08 105.19 99.80 3a8k n GLY 276 Ca 0.05 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 3a8k n GLY 276 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a8k s THR 277 N -3.63 0.06 1.24 2.61 -4.23 -1.26 -4.79 115.64 105.63 3a8k s THR 277 Ca 0.00 -1.93 -0.16 0.00 -1.18 0.00 0.00 61.69 58.42 3a8k s THR 277 Cb 0.00 -2.23 0.29 0.00 1.34 0.00 0.00 72.50 71.90 3a8k s THR 277 CO 0.00 -0.26 0.80 -0.62 -0.54 0.00 0.00 174.62 174.00 3a8k n GLU 278 N -0.17 -2.90 -3.91 3.99 1.02 -1.26 -4.52 120.64 112.88 3a8k n GLU 278 Ca -0.02 -0.83 -0.10 0.00 -0.02 0.00 0.00 57.16 56.19 3a8k n GLU 278 Cb 0.65 -2.02 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 3a8k n GLU 278 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3a8k s LYS 279 N -4.31 0.59 -0.21 3.49 -2.85 -0.37 -4.02 119.74 112.05 3a8k s LYS 279 Ca 0.66 -0.69 -0.13 0.00 -1.00 0.00 0.00 55.97 54.81 3a8k s LYS 279 Cb -0.21 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 35.75 3a8k s LYS 279 CO 0.63 -0.15 0.26 -1.17 0.10 0.00 0.00 175.35 175.02 3a8k s LEU 280 N -2.01 4.16 0.38 2.77 2.96 -1.23 -0.46 118.68 125.25 3a8k s LEU 280 Ca -0.06 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 3a8k s LEU 280 Cb -0.02 -2.28 -0.06 0.00 0.50 0.00 0.00 46.19 44.33 3a8k s LEU 280 CO -0.04 0.04 0.05 0.68 -1.32 0.00 0.00 176.35 175.76 3a8k s VAL 281 N 0.96 1.37 0.04 1.68 -7.23 0.46 -4.60 120.40 113.09 3a8k s VAL 281 Ca 0.13 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.25 3a8k s VAL 281 Cb -0.14 -2.74 -0.05 0.00 0.56 0.00 0.00 36.38 34.02 3a8k s VAL 281 CO 0.05 0.00 0.28 -0.83 -0.31 0.00 0.00 175.10 174.28 3a8k s GLY 282 N -3.62 2.24 0.01 2.32 0.00 0.32 -1.10 107.32 107.50 3a8k s GLY 282 Ca 0.31 -0.62 0.07 0.00 0.00 0.00 0.00 44.72 44.48 3a8k s GLY 282 CO 0.15 -0.48 -0.22 1.08 0.00 0.00 0.00 173.10 173.62 3a8k s LEU 283 N -2.05 2.11 -0.13 0.66 1.43 0.12 -0.48 118.68 120.33 3a8k s LEU 283 Ca 0.31 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3a8k s LEU 283 Cb -0.13 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.02 3a8k s LEU 283 CO 0.20 0.23 -0.12 -0.69 0.23 0.00 0.00 176.35 176.19 3a8k s VAL 284 N -0.66 1.39 -0.41 -1.59 1.01 0.13 -0.72 120.40 119.56 3a8k s VAL 284 Ca 0.09 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 3a8k s VAL 284 Cb -0.09 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 35.01 3a8k s VAL 284 CO 0.01 0.43 0.27 -0.32 0.00 0.00 0.00 175.10 175.49 3a8k s MET 285 N 1.43 2.85 0.34 2.72 1.75 -0.39 -0.76 119.30 127.24 3a8k s MET 285 Ca 0.02 -1.18 0.23 0.00 -1.25 0.00 0.00 55.69 53.51 3a8k s MET 285 Cb -0.13 -3.88 0.19 0.00 2.84 0.00 0.00 34.83 33.85 3a8k s MET 285 CO -0.08 -0.82 1.36 1.79 -0.65 0.00 0.00 175.02 176.63 3a8k h THR 286 N 5.83 0.00 -4.30 10.11 1.35 -1.85 -3.14 112.91 120.91 3a8k h THR 286 Ca -0.26 -1.00 -0.51 0.00 -0.55 0.00 0.00 66.41 64.09 3a8k h THR 286 Cb 1.11 1.78 0.09 0.00 -1.73 0.00 0.00 68.15 69.40 3a8k h THR 286 CO 0.74 0.00 0.37 -1.83 -0.25 0.00 0.00 175.52 174.54 3a8k s GLU 287 N -3.28 2.94 0.27 4.72 1.03 -1.26 -4.96 118.70 118.17 3a8k s GLU 287 Ca 0.04 1.04 -0.30 0.00 0.03 0.00 0.00 54.97 55.77 3a8k s GLU 287 Cb 0.07 -1.99 -0.12 0.00 -0.80 0.00 0.00 34.13 31.29 3a8k s GLU 287 CO 0.72 -1.10 1.57 1.17 -1.33 0.00 0.00 175.26 176.29 3a8k n LYS 288 N -2.93 2.57 0.00 -4.83 4.81 -1.26 -4.82 118.16 111.70 3a8k n LYS 288 Ca 0.08 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 3a8k n LYS 288 Cb 0.53 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.90 3a8k n LYS 288 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a8k n GLY 289 N 2.33 2.73 2.90 3.14 0.00 -1.26 -5.09 105.19 109.94 3a8k n GLY 289 Ca 0.10 -1.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.03 3a8k n GLY 289 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a8k s VAL 290 N -1.84 0.76 0.27 1.61 1.01 -1.26 -4.35 120.40 116.60 3a8k s VAL 290 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 3a8k s VAL 290 Cb 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 36.38 35.50 3a8k s VAL 290 CO 0.00 0.30 1.33 -0.76 0.00 0.00 0.00 175.10 175.97 3a8k s LEU 291 N 1.29 4.42 0.22 3.92 1.43 -1.26 -5.00 118.68 123.69 3a8k s LEU 291 Ca -0.04 2.58 0.10 0.00 -1.03 0.00 0.00 54.13 55.75 3a8k s LEU 291 Cb -0.14 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 3a8k s LEU 291 CO -0.02 -0.56 -0.20 -0.13 0.23 0.00 0.00 176.35 175.67 3a8k s ARG 292 N -0.94 1.49 0.42 1.70 1.81 -1.26 -3.03 118.95 119.14 3a8k s ARG 292 Ca 0.54 -1.58 -0.24 0.00 -1.72 0.00 0.00 55.73 52.72 3a8k s ARG 292 Cb -0.39 -1.60 -0.10 0.00 -0.45 0.00 0.00 34.95 32.41 3a8k s ARG 292 CO 0.46 0.32 1.08 0.09 -0.68 0.00 0.00 175.30 176.56 3a8k n ASN 293 N -0.10 1.57 -0.00 0.23 3.02 -1.26 -3.18 115.26 115.54 3a8k n ASN 293 Ca -0.10 1.05 -0.00 0.00 -0.03 0.00 0.00 54.58 55.50 3a8k n ASN 293 Cb 0.58 -1.39 -0.00 0.00 -0.61 0.00 0.00 39.78 38.36 3a8k n ASN 293 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a8k n GLU 294 N 0.09 -0.99 -2.30 3.52 1.02 -0.31 -4.97 120.64 116.70 3a8k n GLU 294 Ca 0.09 0.25 -0.40 0.00 -0.02 0.00 0.00 57.16 57.08 3a8k n GLU 294 Cb 0.39 -3.99 -0.03 0.00 -0.02 0.00 0.00 31.44 27.79 3a8k n GLU 294 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a8k s LEU 295 N -0.01 4.40 0.47 -4.62 1.02 -1.19 -4.70 118.68 114.05 3a8k s LEU 295 Ca 0.00 2.43 -0.23 0.00 0.02 0.00 0.00 54.13 56.35 3a8k s LEU 295 Cb 0.00 -3.76 -0.07 0.00 0.02 0.00 0.00 46.19 42.38 3a8k s LEU 295 CO 0.00 -0.43 1.25 -2.16 0.02 0.00 0.00 176.35 175.03 3a8k s PRO 296 N -1.82 3.65 -0.19 1.29 0.04 -1.26 -0.73 135.00 135.98 3a8k s PRO 296 Ca 0.50 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.54 3a8k s PRO 296 Cb -0.34 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 31.78 3a8k s PRO 296 CO 0.44 -0.71 -0.14 0.08 0.04 0.00 0.00 177.00 176.72 3a8k s VAL 297 N -1.41 1.78 0.06 -0.36 1.01 -0.63 -3.43 120.40 117.43 3a8k s VAL 297 Ca 0.64 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.75 3a8k s VAL 297 Cb -0.34 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3a8k s VAL 297 CO 0.42 0.32 -0.24 -0.13 0.00 0.00 0.00 175.10 175.47 3a8k s ARG 298 N 1.36 1.52 0.06 2.72 0.52 0.60 0.27 118.95 125.99 3a8k s ARG 298 Ca 0.01 -1.08 -0.07 0.00 -0.52 0.00 0.00 55.73 54.07 3a8k s ARG 298 Cb -0.15 -1.72 -0.01 0.00 0.52 0.00 0.00 34.95 33.60 3a8k s ARG 298 CO -0.10 0.43 0.14 -0.59 0.02 0.00 0.00 175.30 175.20 3a8k s PHE 299 N -0.87 0.18 -0.20 -0.53 -0.71 -0.62 -0.78 117.98 114.46 3a8k s PHE 299 Ca 0.10 -0.54 -0.02 0.00 -1.04 0.00 0.00 56.93 55.42 3a8k s PHE 299 Cb -0.10 -0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.59 3a8k s PHE 299 CO 0.03 -0.44 -0.08 0.99 -1.34 0.00 0.00 175.22 174.37 3a8k s THR 300 N -3.18 3.14 1.03 -4.49 2.01 -1.26 -0.12 115.64 112.77 3a8k s THR 300 Ca -0.00 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.24 3a8k s THR 300 Cb 0.02 -2.39 0.25 0.00 0.01 0.00 0.00 72.50 70.38 3a8k s THR 300 CO -0.07 0.46 1.15 -0.90 -0.69 0.00 0.00 174.62 174.57 3a8k n ASP 301 N 4.49 -0.88 0.13 3.53 5.68 0.20 -4.85 116.55 124.85 3a8k n ASP 301 Ca -0.19 -1.30 0.16 0.00 -0.50 0.00 0.00 54.79 52.96 3a8k n ASP 301 Cb 0.51 -0.95 0.46 0.00 -1.14 0.00 0.00 41.12 40.00 3a8k n ASP 301 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a8k h ALA 302 N -2.22 2.15 -0.01 2.12 0.00 -1.92 -2.51 119.26 116.87 3a8k h ALA 302 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3a8k h ALA 302 Cb 1.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a8k h ALA 302 CO 0.27 -0.99 -0.10 1.04 0.00 0.00 0.00 179.25 179.47 3a8k n GLN 303 N -3.05 1.25 -0.01 0.00 3.00 -1.26 -4.96 117.38 112.36 3a8k n GLN 303 Ca 0.08 -0.84 0.00 0.00 -0.01 0.00 0.00 57.00 56.23 3a8k n GLN 303 Cb 0.93 -1.13 0.00 0.00 0.00 0.00 0.00 30.24 30.05 3a8k n GLN 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3a8k n GLY 304 N 0.71 0.51 3.73 1.08 0.00 -0.95 -5.08 105.19 105.19 3a8k n GLY 304 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3a8k n GLY 304 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a8k s ASN 305 N -2.98 6.89 0.17 1.61 0.01 -1.26 -4.79 114.94 114.59 3a8k s ASN 305 Ca 0.00 1.07 -0.25 0.00 -0.71 0.00 0.00 52.86 52.97 3a8k s ASN 305 Cb 0.00 -2.37 -0.08 0.00 0.41 0.00 0.00 41.25 39.22 3a8k s ASN 305 CO 0.00 -0.05 0.77 -1.10 -1.51 0.00 0.00 177.10 175.21 3a8k s GLN 306 N 0.59 4.53 0.10 -0.60 -1.52 -1.26 0.61 119.66 122.11 3a8k s GLN 306 Ca 0.33 1.12 0.04 0.00 -1.95 0.00 0.00 55.36 54.90 3a8k s GLN 306 Cb -0.17 -3.23 -0.04 0.00 -0.22 0.00 0.00 33.01 29.36 3a8k s GLN 306 CO 0.16 0.56 -0.10 -1.01 -0.25 0.00 0.00 175.29 174.64 3a8k s HIS 307 N -1.18 1.08 -0.03 0.91 3.76 0.83 -4.94 115.29 115.72 3a8k s HIS 307 Ca 0.36 -0.64 0.02 0.00 -0.15 0.00 0.00 55.06 54.66 3a8k s HIS 307 Cb -0.22 -0.59 0.01 0.00 1.11 0.00 0.00 32.58 32.88 3a8k s HIS 307 CO 0.26 0.01 -0.08 -2.00 -0.85 0.00 0.00 174.74 172.07 3a8k s GLU 308 N -2.71 0.97 0.00 1.40 2.12 -1.26 -1.59 118.70 117.64 3a8k s GLU 308 Ca 0.05 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.11 3a8k s GLU 308 Cb -0.03 -0.91 0.00 0.00 0.26 0.00 0.00 34.13 33.45 3a8k s GLU 308 CO 0.00 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 3a8k n GLY 309 N 3.46 7.02 3.18 -1.50 0.00 0.14 -4.57 105.19 112.93 3a8k n GLY 309 Ca -0.20 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 3a8k n GLY 309 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a8k s ILE 310 N 0.42 0.03 0.02 -0.61 2.07 -0.36 -1.61 121.20 121.17 3a8k s ILE 310 Ca 0.00 -0.25 -0.30 0.00 -1.41 0.00 0.00 60.65 58.69 3a8k s ILE 310 Cb 0.00 -0.47 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 3a8k s ILE 310 CO 0.00 -0.14 1.31 -0.63 -1.91 0.00 0.00 174.94 173.58 3a8k s ILE 311 N -0.52 3.83 -0.12 2.00 1.01 0.09 -0.97 121.20 126.51 3a8k s ILE 311 Ca -0.06 1.25 -0.08 0.00 0.00 0.00 0.00 60.65 61.76 3a8k s ILE 311 Cb -0.04 -3.80 -0.26 0.00 0.01 0.00 0.00 42.46 38.37 3a8k s ILE 311 CO 0.02 0.04 0.39 0.71 0.00 0.00 0.00 174.94 176.09 3a8k h THR 312 N 4.72 0.68 -3.40 2.92 1.35 -1.27 -0.80 112.91 117.11 3a8k h THR 312 Ca -0.39 -2.34 -0.27 0.00 -0.55 0.00 0.00 66.41 62.86 3a8k h THR 312 Cb 1.19 2.51 -0.33 0.00 -1.73 0.00 0.00 68.15 69.80 3a8k h THR 312 CO 0.87 0.86 -0.66 -0.44 -0.25 0.00 0.00 175.52 175.89 3a8k s SER 313 N -7.06 -0.02 0.17 5.36 0.01 -1.06 -4.61 113.70 106.49 3a8k s SER 313 Ca -0.22 0.17 0.10 0.00 1.31 0.00 0.00 55.95 57.30 3a8k s SER 313 Cb 0.06 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 3a8k s SER 313 CO 0.76 -0.13 -0.21 -0.83 0.41 0.00 0.00 173.24 173.24 3a8k s GLY 314 N 1.07 1.51 0.31 3.44 0.00 -1.26 -0.20 107.32 112.19 3a8k s GLY 314 Ca -0.09 -1.53 -0.17 0.00 0.00 0.00 0.00 44.72 42.93 3a8k s GLY 314 CO -0.04 -1.57 0.89 -0.37 0.00 0.00 0.00 173.10 172.00 3a8k n THR 315 N 0.34 0.00 -3.70 0.90 5.66 -0.68 -4.64 114.28 112.17 3a8k n THR 315 Ca -0.13 -0.83 -0.36 0.00 -3.05 0.00 0.00 64.05 59.68 3a8k n THR 315 Cb 0.56 0.91 -0.09 0.00 -1.55 0.00 0.00 70.33 70.16 3a8k n THR 315 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 3a8k s PHE 316 N -2.14 3.32 -0.41 1.09 5.36 -1.26 -1.60 117.98 122.34 3a8k s PHE 316 Ca 0.19 0.21 -0.22 0.00 -0.96 0.00 0.00 56.93 56.15 3a8k s PHE 316 Cb -0.04 -2.23 0.02 0.00 -0.34 0.00 0.00 43.02 40.42 3a8k s PHE 316 CO 0.09 0.10 0.74 0.45 -1.46 0.00 0.00 175.22 175.14 3a8k s SER 317 N 0.89 6.43 0.41 6.13 0.15 -0.02 -4.92 113.70 122.77 3a8k s SER 317 Ca 0.07 -0.00 0.18 0.00 0.70 0.00 0.00 55.95 56.90 3a8k s SER 317 Cb -0.13 -2.37 0.88 0.00 -1.71 0.00 0.00 66.02 62.70 3a8k s SER 317 CO 0.03 -0.80 1.86 -0.65 1.20 0.00 0.00 173.24 174.88 3a8k h PRO 318 N 8.77 0.00 -0.13 5.44 0.11 -1.92 0.51 132.00 144.77 3a8k h PRO 318 Ca -0.25 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.75 3a8k h PRO 318 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3a8k h PRO 318 CO 0.92 0.31 -0.35 1.15 -0.21 0.00 0.00 178.00 179.82 3a8k h THR 319 N 0.00 1.37 -0.03 -1.15 2.02 -1.94 -3.23 112.91 109.95 3a8k h THR 319 Ca -0.00 -1.63 -0.20 0.00 0.77 0.00 0.00 66.41 65.34 3a8k h THR 319 Cb 0.65 2.06 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 3a8k h THR 319 CO 0.04 0.49 -0.84 -0.07 0.37 0.00 0.00 175.52 175.50 3a8k h LEU 320 N 0.07 0.43 0.03 2.58 4.07 -1.93 -3.48 115.31 117.09 3a8k h LEU 320 Ca -0.01 -0.32 -0.01 0.00 0.08 0.00 0.00 57.88 57.62 3a8k h LEU 320 Cb 0.96 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.56 3a8k h LEU 320 CO 0.07 1.10 -0.01 0.61 -1.08 0.00 0.00 178.44 179.13 3a8k n GLY 321 N 0.78 0.44 3.10 0.83 0.00 0.18 -5.03 105.19 105.48 3a8k n GLY 321 Ca -0.05 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 3a8k n GLY 321 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a8k s TYR 322 N -2.02 0.56 0.44 1.61 2.02 -1.20 -4.98 117.35 113.78 3a8k s TYR 322 Ca 0.00 -1.02 -0.23 0.00 -0.37 0.00 0.00 57.07 55.45 3a8k s TYR 322 Cb 0.00 -0.40 -0.08 0.00 -0.40 0.00 0.00 41.96 41.08 3a8k s TYR 322 CO 0.00 -0.34 1.08 0.45 -1.57 0.00 0.00 175.55 175.17 3a8k s SER 323 N -2.86 6.47 0.16 2.29 0.15 -1.19 -0.84 113.70 117.88 3a8k s SER 323 Ca 0.06 2.08 0.03 0.00 0.70 0.00 0.00 55.95 58.82 3a8k s SER 323 Cb 0.07 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.75 3a8k s SER 323 CO -0.09 -0.69 -0.04 0.27 1.20 0.00 0.00 173.24 173.89 3a8k s ILE 324 N -1.72 0.86 0.08 6.45 -4.36 -0.63 -1.26 121.20 120.62 3a8k s ILE 324 Ca 0.62 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.80 3a8k s ILE 324 Cb -0.22 -1.98 0.05 0.00 1.25 0.00 0.00 42.46 41.56 3a8k s ILE 324 CO 0.27 -0.62 0.51 0.00 0.24 0.00 0.00 174.94 175.35 3a8k s ALA 325 N -3.53 -1.31 0.05 2.27 0.00 0.10 -1.68 121.76 117.66 3a8k s ALA 325 Ca 0.20 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.65 3a8k s ALA 325 Cb 0.05 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 3a8k s ALA 325 CO 0.02 -0.58 0.09 -0.51 0.00 0.00 0.00 175.76 174.78 3a8k s LEU 326 N -2.25 3.87 -0.12 0.00 1.43 0.72 0.14 118.68 122.47 3a8k s LEU 326 Ca -0.03 0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 3a8k s LEU 326 Cb -0.00 -2.45 0.04 0.00 0.03 0.00 0.00 46.19 43.81 3a8k s LEU 326 CO -0.05 0.21 0.40 0.00 0.23 0.00 0.00 176.35 177.13 3a8k s ALA 327 N -1.33 -0.99 -0.21 4.21 0.00 -0.26 -0.81 121.76 122.38 3a8k s ALA 327 Ca 0.27 1.00 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 3a8k s ALA 327 Cb -0.12 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 3a8k s ALA 327 CO 0.20 -0.21 0.16 0.50 0.00 0.00 0.00 175.76 176.41 3a8k s ARG 328 N -0.11 4.14 0.02 0.00 3.52 -0.15 -0.41 118.95 125.98 3a8k s ARG 328 Ca -0.03 -0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.36 3a8k s ARG 328 Cb -0.03 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 3a8k s ARG 328 CO 0.02 0.19 -0.01 0.14 -0.81 0.00 0.00 175.30 174.82 3a8k s VAL 329 N 0.69 0.13 0.32 7.11 -7.23 0.39 -1.22 120.40 120.59 3a8k s VAL 329 Ca 0.09 -1.04 -0.27 0.00 -1.81 0.00 0.00 61.98 58.95 3a8k s VAL 329 Cb -0.12 -0.50 -0.13 0.00 0.56 0.00 0.00 36.38 36.18 3a8k s VAL 329 CO 0.01 -0.57 1.01 -2.65 -0.31 0.00 0.00 175.10 172.59 3a8k n PRO 330 N 1.31 1.38 -1.56 4.82 -0.02 -1.26 -1.24 135.00 138.43 3a8k n PRO 330 Ca -0.22 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.34 3a8k n PRO 330 Cb 0.56 -1.90 0.02 0.00 -0.02 0.00 0.00 33.50 32.16 3a8k n PRO 330 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3a8k n GLU 331 N 0.61 0.99 0.00 -0.52 -0.58 -1.26 -3.34 120.64 116.53 3a8k n GLU 331 Ca 0.09 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 3a8k n GLU 331 Cb 0.34 -1.89 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 3a8k n GLU 331 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a8k n GLY 332 N 1.42 0.89 3.75 0.62 0.00 -1.26 -5.07 105.19 105.54 3a8k n GLY 332 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3a8k n GLY 332 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a8k s ILE 333 N -2.14 2.19 0.00 -0.61 2.07 -1.21 -4.95 121.20 116.55 3a8k s ILE 333 Ca 0.00 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 3a8k s ILE 333 Cb 0.00 -3.07 0.00 0.00 0.13 0.00 0.00 42.46 39.52 3a8k s ILE 333 CO 0.00 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 3a8k n GLY 334 N 0.68 1.65 0.01 1.50 0.00 -1.26 -5.00 105.19 102.76 3a8k n GLY 334 Ca 0.09 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 44.81 3a8k n GLY 334 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a8k n GLU 335 N 0.00 0.05 -3.95 1.61 1.02 -1.26 -4.72 120.64 113.39 3a8k n GLU 335 Ca 0.00 0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 3a8k n GLU 335 Cb 0.00 -1.54 -0.09 0.00 -0.02 0.00 0.00 31.44 29.80 3a8k n GLU 335 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3a8k s THR 336 N -3.03 0.17 0.26 2.62 -4.23 -1.26 -0.89 115.64 109.28 3a8k s THR 336 Ca 0.11 -1.37 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 3a8k s THR 336 Cb 0.17 -1.28 0.01 0.00 1.34 0.00 0.00 72.50 72.73 3a8k s THR 336 CO 0.67 -0.76 0.37 0.00 -0.54 0.00 0.00 174.62 174.35 3a8k n ALA 337 N 0.21 -0.26 -2.63 3.99 0.00 -0.58 -4.85 120.51 116.39 3a8k n ALA 337 Ca -0.16 -1.20 -0.20 0.00 0.00 0.00 0.00 53.44 51.88 3a8k n ALA 337 Cb 0.61 0.97 -0.15 0.00 0.00 0.00 0.00 19.45 20.88 3a8k n ALA 337 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3a8k s ILE 338 N -2.71 0.95 -0.05 0.00 -1.09 0.04 -0.85 121.20 117.48 3a8k s ILE 338 Ca 0.21 -0.61 0.03 0.00 -2.23 0.00 0.00 60.65 58.06 3a8k s ILE 338 Cb -0.01 -0.81 0.00 0.00 -1.58 0.00 0.00 42.46 40.07 3a8k s ILE 338 CO 0.15 0.20 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.22 3a8k s VAL 339 N -0.41 1.29 -0.44 2.92 1.01 0.31 -0.29 120.40 124.79 3a8k s VAL 339 Ca 0.04 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 3a8k s VAL 339 Cb -0.05 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.21 3a8k s VAL 339 CO -0.00 0.38 0.86 -1.58 0.00 0.00 0.00 175.10 174.76 3a8k s GLN 340 N 0.32 3.53 -0.39 2.72 0.74 -1.22 -0.91 119.66 124.46 3a8k s GLN 340 Ca -0.09 0.11 -0.02 0.00 0.05 0.00 0.00 55.36 55.41 3a8k s GLN 340 Cb -0.13 -3.91 0.10 0.00 1.10 0.00 0.00 33.01 30.17 3a8k s GLN 340 CO 0.03 -1.13 0.16 0.42 -0.55 0.00 0.00 175.29 174.22 3a8k s ILE 341 N 3.51 3.17 -0.63 -2.34 1.01 -0.68 -4.65 121.20 120.59 3a8k s ILE 341 Ca 0.34 -1.97 -0.16 0.00 0.00 0.00 0.00 60.65 58.86 3a8k s ILE 341 Cb -0.11 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.25 3a8k s ILE 341 CO 0.24 -0.59 0.64 -2.11 0.00 0.00 0.00 174.94 173.11 3a8k n ARG 342 N 4.57 -1.76 -0.92 2.79 1.85 -1.26 -3.16 116.66 118.77 3a8k n ARG 342 Ca -0.03 1.29 0.00 0.00 -1.00 0.00 0.00 57.85 58.10 3a8k n ARG 342 Cb 0.42 -3.20 0.00 0.00 -1.05 0.00 0.00 32.46 28.63 3a8k n ARG 342 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3a8k n ASN 343 N -1.35 -2.39 -3.97 2.89 3.02 -1.26 -4.98 115.26 107.22 3a8k n ASN 343 Ca -0.13 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.27 3a8k n ASN 343 Cb 0.63 -1.37 -0.14 0.00 -0.61 0.00 0.00 39.78 38.30 3a8k n ASN 343 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a8k s ARG 344 N -0.61 0.36 -0.48 3.52 1.70 -1.19 -5.11 118.95 117.14 3a8k s ARG 344 Ca 0.00 -0.30 -0.14 0.00 -0.47 0.00 0.00 55.73 54.82 3a8k s ARG 344 Cb 0.00 -0.28 0.09 0.00 -0.57 0.00 0.00 34.95 34.19 3a8k s ARG 344 CO 0.00 0.07 0.40 -1.21 -1.08 0.00 0.00 175.30 173.48 3a8k s GLU 345 N -0.48 2.90 -0.13 3.89 0.41 -1.26 -1.69 118.70 122.34 3a8k s GLU 345 Ca -0.02 -1.47 -0.19 0.00 -0.41 0.00 0.00 54.97 52.89 3a8k s GLU 345 Cb -0.04 -4.11 -0.04 0.00 -1.78 0.00 0.00 34.13 28.17 3a8k s GLU 345 CO -0.00 -1.09 0.51 -1.64 -0.49 0.00 0.00 175.26 172.54 3a8k s MET 346 N 1.58 4.32 0.53 1.61 -1.94 -0.08 -4.85 119.30 120.47 3a8k s MET 346 Ca 0.04 0.48 -0.19 0.00 -1.71 0.00 0.00 55.69 54.31 3a8k s MET 346 Cb -0.25 -3.46 -0.07 0.00 2.01 0.00 0.00 34.83 33.06 3a8k s MET 346 CO 0.05 0.09 1.08 -1.25 -0.01 0.00 0.00 175.02 174.97 3a8k s PRO 347 N 0.84 3.53 0.04 2.03 0.04 -1.26 -0.53 135.00 139.69 3a8k s PRO 347 Ca 0.27 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.74 3a8k s PRO 347 Cb -0.15 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 3a8k s PRO 347 CO 0.11 -0.67 -0.04 0.14 0.04 0.00 0.00 177.00 176.58 3a8k s VAL 348 N -1.98 0.26 0.12 -0.36 -7.23 -0.03 -4.73 120.40 106.45 3a8k s VAL 348 Ca 0.69 -1.34 -0.18 0.00 -1.81 0.00 0.00 61.98 59.34 3a8k s VAL 348 Cb -0.19 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 35.80 3a8k s VAL 348 CO 0.26 -0.69 0.60 -0.54 -0.31 0.00 0.00 175.10 174.41 3a8k s LYS 349 N -2.54 4.17 -0.20 4.82 1.02 0.06 -1.52 119.74 125.54 3a8k s LYS 349 Ca -0.05 0.71 -0.09 0.00 0.02 0.00 0.00 55.97 56.56 3a8k s LYS 349 Cb -0.02 -3.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 3a8k s LYS 349 CO -0.04 0.55 0.11 0.08 -0.92 0.00 0.00 175.35 175.14 3a8k s VAL 350 N -1.27 5.18 0.37 3.17 1.01 -0.07 -0.69 120.40 128.10 3a8k s VAL 350 Ca 0.34 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.49 3a8k s VAL 350 Cb -0.18 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3a8k s VAL 350 CO 0.20 0.43 0.24 0.42 0.00 0.00 0.00 175.10 176.39 3a8k s THR 351 N 0.51 0.16 0.77 3.92 -4.23 0.36 -4.80 115.64 112.34 3a8k s THR 351 Ca 0.06 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.44 3a8k s THR 351 Cb -0.12 -2.43 0.06 0.00 1.34 0.00 0.00 72.50 71.35 3a8k s THR 351 CO -0.00 0.00 1.16 -0.54 -0.54 0.00 0.00 174.62 174.69 3a8k s LYS 352 N -3.49 2.01 -0.65 3.99 1.02 -1.26 -0.52 119.74 120.83 3a8k s LYS 352 Ca 0.35 1.54 -0.07 0.00 0.02 0.00 0.00 55.97 57.81 3a8k s LYS 352 Cb 0.02 -1.84 -0.16 0.00 -0.52 0.00 0.00 37.83 35.33 3a8k s LYS 352 CO 0.24 -1.89 3.28 -0.35 -0.92 0.00 0.00 175.35 175.71 3a8k n PRO 353 N -3.16 2.74 -3.60 -1.68 -0.04 -1.26 -3.58 135.00 124.41 3a8k n PRO 353 Ca 0.12 -1.64 -0.16 0.00 -0.04 0.00 0.00 63.50 61.78 3a8k n PRO 353 Cb 0.51 -2.31 -0.07 0.00 -0.04 0.00 0.00 33.50 31.59 3a8k n PRO 353 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3a8k s VAL 354 N 1.01 0.01 0.00 0.52 0.11 -1.26 -4.33 120.40 116.46 3a8k s VAL 354 Ca 0.67 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 3a8k s VAL 354 Cb 0.27 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 3a8k s VAL 354 CO -0.04 -0.04 0.00 0.49 -3.33 0.00 0.00 175.10 172.17 3a8k n PHE 355 N 1.49 0.00 -4.11 1.54 3.01 -0.07 -4.86 117.46 114.46 3a8k n PHE 355 Ca -0.18 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.10 3a8k n PHE 355 Cb 0.56 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.87 3a8k n PHE 355 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3a8k s VAL 356 N -1.51 0.42 -0.07 -4.37 1.01 -0.58 -0.52 120.40 114.77 3a8k s VAL 356 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3a8k s VAL 356 Cb 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.95 3a8k s VAL 356 CO 0.00 0.19 -0.05 -0.13 0.00 0.00 0.00 175.10 175.11 3a8k s ARG 357 N 0.77 1.06 -1.12 2.72 0.52 0.10 -4.54 118.95 118.45 3a8k s ARG 357 Ca -0.09 -0.12 -0.00 0.00 -0.52 0.00 0.00 55.73 55.00 3a8k s ARG 357 Cb -0.12 -1.15 -0.00 0.00 0.52 0.00 0.00 34.95 34.20 3a8k s ARG 357 CO -0.00 -0.18 0.93 0.09 0.02 0.00 0.00 175.30 176.16 3a8k n ASN 358 N 4.59 -2.05 0.00 0.23 5.03 -1.26 -1.37 115.26 120.42 3a8k n ASN 358 Ca -0.16 -0.58 0.00 0.00 0.87 0.00 0.00 54.58 54.71 3a8k n ASN 358 Cb 0.50 -4.82 0.00 0.00 -1.02 0.00 0.00 39.78 34.44 3a8k n ASN 358 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a8k n GLY 359 N -1.12 0.18 3.56 7.41 0.00 -1.26 -4.95 105.19 109.01 3a8k n GLY 359 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 3a8k n GLY 359 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a8k s LYS 360 N -0.74 3.21 -0.01 1.61 2.20 -0.47 -5.07 119.74 120.45 3a8k s LYS 360 Ca 0.00 -0.51 -0.38 0.00 -0.36 0.00 0.00 55.97 54.72 3a8k s LYS 360 Cb 0.00 -2.77 -0.16 0.00 -1.51 0.00 0.00 37.83 33.39 3a8k s LYS 360 CO 0.00 0.48 1.44 0.00 -0.36 0.00 0.00 175.35 176.91 3a8k n ALA 361 N 2.80 -0.82 -2.66 3.13 0.00 -1.26 -0.72 120.51 120.97 3a8k n ALA 361 Ca -0.18 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 3a8k n ALA 361 Cb 0.53 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.77 3a8k n ALA 361 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3a8k s VAL 362 N 1.29 4.93 0.00 0.00 -7.23 0.32 -4.81 120.40 114.90 3a8k s VAL 362 Ca 0.88 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 3a8k s VAL 362 Cb -0.99 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 32.18 3a8k s VAL 362 CO 0.52 -0.30 0.50 0.00 -0.31 0.00 0.00 175.10 175.51