#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b7k n GLY 7 N 0.00 2.11 3.54 3.17 0.00 -1.26 -5.13 105.19 107.62 3b7k n GLY 7 Ca 0.00 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 3b7k n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b7k s GLU 8 N -1.69 3.70 -0.21 1.61 2.02 -1.26 -4.54 118.70 118.33 3b7k s GLU 8 Ca 0.30 -0.47 -0.17 0.00 0.02 0.00 0.00 54.97 54.65 3b7k s GLU 8 Cb 0.37 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 3b7k s GLU 8 CO -0.04 0.28 0.44 0.08 0.02 0.00 0.00 175.26 176.04 3b7k s VAL 9 N 0.27 5.16 -0.09 2.63 1.01 -0.56 -4.94 120.40 123.88 3b7k s VAL 9 Ca -0.01 0.79 0.02 0.00 0.00 0.00 0.00 61.98 62.77 3b7k s VAL 9 Cb -0.14 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3b7k s VAL 9 CO 0.02 0.22 -0.14 0.54 0.00 0.00 0.00 175.10 175.73 3b7k s VAL 10 N 1.50 1.39 -0.04 2.92 0.11 -1.26 -1.23 120.40 123.78 3b7k s VAL 10 Ca 0.21 -0.59 0.07 0.00 -2.93 0.00 0.00 61.98 58.73 3b7k s VAL 10 Cb -0.15 -1.27 -0.02 0.00 -1.53 0.00 0.00 36.38 33.42 3b7k s VAL 10 CO 0.09 0.42 -0.25 -0.32 -3.33 0.00 0.00 175.10 171.71 3b7k s MET 11 N 0.86 2.37 -0.13 1.54 1.75 -0.51 -4.99 119.30 120.19 3b7k s MET 11 Ca -0.10 -0.90 0.02 0.00 -1.25 0.00 0.00 55.69 53.46 3b7k s MET 11 Cb -0.15 -2.13 0.01 0.00 2.84 0.00 0.00 34.83 35.40 3b7k s MET 11 CO 0.01 0.47 -0.20 -1.12 -0.65 0.00 0.00 175.02 173.53 3b7k s SER 12 N -0.38 2.89 -0.08 1.11 0.01 -1.26 -1.12 113.70 114.87 3b7k s SER 12 Ca 0.03 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.76 3b7k s SER 12 Cb -0.12 -1.33 0.02 0.00 0.21 0.00 0.00 66.02 64.80 3b7k s SER 12 CO 0.02 0.06 -0.11 -1.10 0.41 0.00 0.00 173.24 172.51 3b7k s GLN 13 N 0.87 1.68 0.16 12.44 -1.52 0.02 -5.01 119.66 128.29 3b7k s GLN 13 Ca -0.07 -0.38 -0.28 0.00 -1.95 0.00 0.00 55.36 52.68 3b7k s GLN 13 Cb -0.15 -1.47 -0.07 0.00 -0.22 0.00 0.00 33.01 31.09 3b7k s GLN 13 CO -0.02 -0.05 0.89 0.00 -0.25 0.00 0.00 175.29 175.86 3b7k s ALA 14 N 0.94 3.34 -0.60 6.09 0.00 -1.26 -0.93 121.76 129.33 3b7k s ALA 14 Ca -0.09 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.16 3b7k s ALA 14 Cb -0.15 -3.15 0.07 0.00 0.00 0.00 0.00 23.12 19.89 3b7k s ALA 14 CO 0.00 0.14 0.86 0.42 0.00 0.00 0.00 175.76 177.19 3b7k s ILE 15 N -0.68 4.50 0.53 0.00 1.01 -0.62 -4.96 121.20 120.97 3b7k s ILE 15 Ca 0.41 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 3b7k s ILE 15 Cb -0.24 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 37.68 3b7k s ILE 15 CO 0.29 -1.21 0.80 -1.10 0.00 0.00 0.00 174.94 173.72 3b7k s GLN 16 N 3.60 3.01 0.62 2.79 -1.52 -1.26 -1.72 119.66 125.19 3b7k s GLN 16 Ca 0.21 -0.19 0.29 0.00 -1.95 0.00 0.00 55.36 53.73 3b7k s GLN 16 Cb -0.17 -2.39 1.55 0.00 -0.22 0.00 0.00 33.01 31.78 3b7k s GLN 16 CO 0.12 -0.50 1.92 -1.35 -0.25 0.00 0.00 175.29 175.23 3b7k h PRO 17 N 0.07 0.00 0.00 2.91 0.11 -1.97 -1.49 132.00 131.63 3b7k h PRO 17 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3b7k h PRO 17 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3b7k h PRO 17 CO 0.59 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.28 3b7k h ALA 18 N 1.42 1.05 -0.23 -0.75 0.00 -2.00 -2.43 119.26 116.32 3b7k h ALA 18 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3b7k h ALA 18 Cb 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3b7k h ALA 18 CO -0.00 0.13 0.00 0.72 0.00 0.00 0.00 179.25 180.10 3b7k n HIS 19 N -3.29 0.29 -3.27 0.00 8.25 -0.56 -5.01 115.22 111.63 3b7k n HIS 19 Ca -0.00 -0.14 -0.19 0.00 -0.26 0.00 0.00 57.72 57.12 3b7k n HIS 19 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 3b7k n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b7k s ALA 20 N -1.71 4.40 0.03 -1.41 0.00 -0.92 -1.07 121.76 121.07 3b7k s ALA 20 Ca 0.35 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3b7k s ALA 20 Cb 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 22.00 3b7k s ALA 20 CO 0.30 -0.37 0.02 0.25 0.00 0.00 0.00 175.76 175.96 3b7k n THR 21 N -1.81 0.00 0.25 0.00 -2.24 -0.17 -4.72 114.28 105.59 3b7k n THR 21 Ca 0.07 -0.10 0.09 0.00 -2.27 0.00 0.00 64.05 61.84 3b7k n THR 21 Cb 0.61 -0.56 0.65 0.00 -2.10 0.00 0.00 70.33 68.93 3b7k n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b7k h ALA 22 N 0.70 1.73 0.21 6.98 0.00 -1.99 -3.12 119.26 123.77 3b7k h ALA 22 Ca -0.02 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 3b7k h ALA 22 Cb 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.86 3b7k h ALA 22 CO 0.02 0.10 -1.52 0.00 0.00 0.00 0.00 179.25 177.86 3b7k h ARG 23 N 0.00 0.45 0.00 0.00 3.08 -2.01 -3.48 114.38 112.43 3b7k h ARG 23 Ca -0.00 -0.78 0.00 0.00 0.07 0.00 0.00 59.98 59.27 3b7k h ARG 23 Cb 0.15 0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3b7k h ARG 23 CO 0.01 1.36 0.00 0.41 -1.07 0.00 0.00 179.97 180.68 3b7k n GLY 24 N 1.72 1.89 3.77 0.04 0.00 -1.18 -5.08 105.19 106.35 3b7k n GLY 24 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 3b7k n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b7k s GLU 25 N 0.00 2.83 0.12 1.61 2.02 -1.26 -1.18 118.70 122.83 3b7k s GLU 25 Ca 0.00 -0.82 -0.31 0.00 0.02 0.00 0.00 54.97 53.86 3b7k s GLU 25 Cb 0.00 -2.65 -0.09 0.00 0.10 0.00 0.00 34.13 31.49 3b7k s GLU 25 CO 0.00 0.52 1.68 -1.17 0.02 0.00 0.00 175.26 176.31 3b7k s LEU 26 N -2.75 4.38 0.25 1.80 2.96 -0.85 -1.00 118.68 123.46 3b7k s LEU 26 Ca 0.30 2.61 -0.31 0.00 -0.22 0.00 0.00 54.13 56.51 3b7k s LEU 26 Cb -0.11 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.89 3b7k s LEU 26 CO 0.22 -0.91 1.68 -0.55 -1.32 0.00 0.00 176.35 175.47 3b7k s SER 27 N 2.09 6.36 0.41 3.68 0.15 -0.24 -4.85 113.70 121.30 3b7k s SER 27 Ca 0.75 2.92 0.08 0.00 0.70 0.00 0.00 55.95 60.40 3b7k s SER 27 Cb -0.43 -2.61 0.85 0.00 -1.71 0.00 0.00 66.02 62.12 3b7k s SER 27 CO 0.33 -0.96 2.01 0.00 1.20 0.00 0.00 173.24 175.81 3b7k h ALA 28 N 6.00 1.64 -0.37 5.45 0.00 -1.93 -2.44 119.26 127.60 3b7k h ALA 28 Ca -0.45 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.43 3b7k h ALA 28 Cb 1.21 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 3b7k h ALA 28 CO 0.89 0.28 0.02 0.78 0.00 0.00 0.00 179.25 181.23 3b7k h GLY 29 N 0.57 0.39 0.96 0.00 0.00 -1.86 -0.39 103.07 102.74 3b7k h GLY 29 Ca 0.10 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 3b7k h GLY 29 CO -0.01 -0.07 0.15 -1.61 0.00 0.00 0.00 176.54 175.00 3b7k h GLN 30 N 0.13 0.73 -0.40 4.80 5.75 -1.79 -1.32 115.11 123.00 3b7k h GLN 30 Ca 0.18 -0.16 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3b7k h GLN 30 Cb 0.25 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 3b7k h GLN 30 CO -0.29 0.69 0.23 1.25 -2.65 0.00 0.00 178.83 178.07 3b7k h LEU 31 N 0.62 0.38 -0.69 -2.39 5.85 -1.09 -0.49 115.31 117.50 3b7k h LEU 31 Ca 0.15 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3b7k h LEU 31 Cb 0.27 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3b7k h LEU 31 CO -0.01 0.27 0.40 -0.07 -0.34 0.00 0.00 178.44 178.69 3b7k h LEU 32 N 0.47 0.85 -0.92 2.25 3.38 -1.01 -0.78 115.31 119.56 3b7k h LEU 32 Ca 0.16 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3b7k h LEU 32 Cb 0.01 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3b7k h LEU 32 CO -0.08 0.69 0.61 0.50 0.09 0.00 0.00 178.44 180.25 3b7k h LYS 33 N 0.95 1.20 -0.24 1.13 3.64 -0.71 -0.85 116.57 121.69 3b7k h LYS 33 Ca 0.25 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 3b7k h LYS 33 Cb 0.01 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 3b7k h LYS 33 CO -0.04 0.79 -0.39 -1.49 -2.27 0.00 0.00 179.45 176.05 3b7k h TRP 34 N 1.23 0.66 -0.26 1.91 6.55 -0.68 -2.47 115.95 122.89 3b7k h TRP 34 Ca 0.34 -0.19 -0.11 0.00 0.95 0.00 0.00 58.89 59.89 3b7k h TRP 34 Cb -0.13 -0.14 -0.00 0.00 -0.86 0.00 0.00 29.16 28.02 3b7k h TRP 34 CO -0.01 0.86 -0.25 0.82 -1.05 0.00 0.00 178.44 178.82 3b7k h ILE 35 N 0.47 1.31 -0.31 1.49 2.04 -0.72 -2.44 117.51 119.35 3b7k h ILE 35 Ca 0.04 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 3b7k h ILE 35 Cb 0.88 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 3b7k h ILE 35 CO 0.08 0.45 0.19 -0.78 0.00 0.00 0.00 178.15 178.08 3b7k h ASP 36 N 0.36 0.37 0.11 1.72 3.58 -1.11 -2.23 116.42 119.21 3b7k h ASP 36 Ca 0.04 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 3b7k h ASP 36 Cb 0.81 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.77 3b7k h ASP 36 CO 0.06 0.28 -0.05 0.74 -2.88 0.00 0.00 179.24 177.39 3b7k h THR 37 N 0.43 1.10 -0.93 2.25 2.02 -1.24 -1.03 112.91 115.51 3b7k h THR 37 Ca 0.11 -1.10 0.02 0.00 0.77 0.00 0.00 66.41 66.21 3b7k h THR 37 Cb -0.02 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 3b7k h THR 37 CO -0.02 0.25 0.61 0.74 0.37 0.00 0.00 175.52 177.47 3b7k h THR 38 N -0.69 1.21 -0.26 3.16 2.02 -1.35 0.25 112.91 117.26 3b7k h THR 38 Ca -0.01 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 3b7k h THR 38 Cb 0.53 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3b7k h THR 38 CO 0.02 0.22 0.02 0.00 0.37 0.00 0.00 175.52 176.16 3b7k h ALA 39 N 1.43 0.35 -0.92 6.16 0.00 -1.47 -2.01 119.26 122.80 3b7k h ALA 39 Ca 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3b7k h ALA 39 Cb -0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3b7k h ALA 39 CO -0.09 0.06 0.53 0.00 0.00 0.00 0.00 179.25 179.75 3b7k h LEU 41 N 1.28 0.49 -0.28 0.00 3.38 -0.41 -2.40 115.31 117.37 3b7k h LEU 41 Ca 0.33 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 3b7k h LEU 41 Cb -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3b7k h LEU 41 CO -0.06 0.47 -0.21 0.00 0.09 0.00 0.00 178.44 178.73 3b7k h ALA 42 N 1.61 0.40 -0.77 1.53 0.00 -0.55 -2.22 119.26 119.25 3b7k h ALA 42 Ca 0.13 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3b7k h ALA 42 Cb 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3b7k h ALA 42 CO -0.01 0.35 0.51 0.00 0.00 0.00 0.00 179.25 180.10 3b7k h ALA 43 N 0.72 0.99 0.00 0.00 0.00 -1.16 -2.32 119.26 117.48 3b7k h ALA 43 Ca 0.05 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3b7k h ALA 43 Cb 0.75 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3b7k h ALA 43 CO 0.06 0.38 -0.63 0.93 0.00 0.00 0.00 179.25 179.98 3b7k h GLU 44 N 1.03 0.00 -0.28 0.00 5.08 -1.41 0.18 114.58 119.18 3b7k h GLU 44 Ca 0.29 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 3b7k h GLU 44 Cb -0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3b7k h GLU 44 CO -0.07 0.63 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.17 3b7k h LYS 45 N 0.00 0.49 0.00 2.33 3.64 -1.08 -0.39 116.57 121.56 3b7k h LYS 45 Ca -0.01 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 3b7k h LYS 45 Cb 1.21 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3b7k h LYS 45 CO 0.08 0.66 -0.25 1.25 -2.27 0.00 0.00 179.45 178.92 3b7k h HIS 46 N 0.45 0.24 0.11 1.91 2.76 -0.85 -3.39 115.15 116.38 3b7k h HIS 46 Ca 0.08 -0.14 -0.29 0.00 -2.20 0.00 0.00 60.37 57.82 3b7k h HIS 46 Cb 0.57 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 3b7k h HIS 46 CO 0.02 0.95 -1.41 0.00 -1.30 0.00 0.00 177.93 176.19 3b7k h ALA 47 N 0.24 0.24 -0.01 5.26 0.00 -0.64 -3.47 119.26 120.88 3b7k h ALA 47 Ca -0.03 -1.04 -0.00 0.00 0.00 0.00 0.00 54.91 53.84 3b7k h ALA 47 Cb 1.02 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3b7k h ALA 47 CO 0.05 1.11 -0.00 0.41 0.00 0.00 0.00 179.25 180.81 3b7k n GLY 48 N 1.60 0.47 3.27 0.00 0.00 -0.16 -5.03 105.19 105.34 3b7k n GLY 48 Ca -0.13 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 3b7k n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3b7k s VAL 49 N -1.96 0.13 0.20 1.61 -7.23 -1.26 -5.10 120.40 106.79 3b7k s VAL 49 Ca 0.00 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.86 3b7k s VAL 49 Cb 0.00 -2.51 -0.10 0.00 0.56 0.00 0.00 36.38 34.33 3b7k s VAL 49 CO 0.00 0.00 1.55 -0.44 -0.31 0.00 0.00 175.10 175.90 3b7k s SER 50 N -3.30 6.57 0.01 4.85 0.01 -1.26 -4.61 113.70 115.97 3b7k s SER 50 Ca 0.38 2.67 0.09 0.00 1.31 0.00 0.00 55.95 60.40 3b7k s SER 50 Cb 0.05 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 3b7k s SER 50 CO 0.18 -0.81 -0.26 0.00 0.41 0.00 0.00 173.24 172.76 3b7k s VAL 52 N -0.70 2.88 -0.08 0.00 -7.23 -0.36 -4.93 120.40 109.98 3b7k s VAL 52 Ca 0.11 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 57.96 3b7k s VAL 52 Cb -0.10 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 3b7k s VAL 52 CO 0.00 -0.27 1.48 -0.89 -0.31 0.00 0.00 175.10 175.12 3b7k s THR 53 N -2.10 3.84 -0.23 5.32 2.01 -1.26 -0.94 115.64 122.28 3b7k s THR 53 Ca 0.27 1.05 -0.18 0.00 0.31 0.00 0.00 61.69 63.15 3b7k s THR 53 Cb -0.07 -3.68 -0.17 0.00 0.01 0.00 0.00 72.50 68.59 3b7k s THR 53 CO 0.15 -0.08 0.03 0.00 -0.69 0.00 0.00 174.62 174.03 3b7k n ALA 54 N 6.69 0.93 -3.36 7.40 0.00 0.32 -4.65 120.51 127.85 3b7k n ALA 54 Ca 0.15 -0.70 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 3b7k n ALA 54 Cb 0.44 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 3b7k n ALA 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3b7k s SER 55 N -7.06 -0.29 -0.05 0.00 1.04 -0.99 -0.98 113.70 105.36 3b7k s SER 55 Ca -0.32 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 55.68 3b7k s SER 55 Cb 0.09 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.82 3b7k s SER 55 CO 0.57 -1.07 -0.06 -0.69 0.98 0.00 0.00 173.24 172.97 3b7k s VAL 56 N -3.86 0.67 0.00 5.02 1.01 -0.72 -0.51 120.40 122.01 3b7k s VAL 56 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3b7k s VAL 56 Cb -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.70 3b7k s VAL 56 CO -0.03 0.26 0.00 0.47 0.00 0.00 0.00 175.10 175.80 3b7k n ASP 57 N 4.04 -0.33 -4.71 3.32 9.92 0.11 -1.84 116.55 127.06 3b7k n ASP 57 Ca -0.24 -0.53 -0.42 0.00 -0.53 0.00 0.00 54.79 53.07 3b7k n ASP 57 Cb 0.51 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.96 3b7k n ASP 57 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3b7k s ASP 58 N -1.24 6.45 -0.15 -2.24 -0.00 -1.26 -4.16 116.67 114.07 3b7k s ASP 58 Ca 0.00 2.76 0.02 0.00 -0.00 0.00 0.00 52.55 55.33 3b7k s ASP 58 Cb 0.00 -2.59 0.01 0.00 -0.00 0.00 0.00 42.92 40.34 3b7k s ASP 58 CO 0.00 -0.95 -0.20 -0.63 -0.00 0.00 0.00 175.17 173.39 3b7k s ILE 59 N 1.78 2.26 -0.06 0.77 1.01 -0.95 -4.34 121.20 121.65 3b7k s ILE 59 Ca 0.76 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 60.55 3b7k s ILE 59 Cb -0.47 -1.92 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 3b7k s ILE 59 CO 0.33 0.54 -0.22 -1.58 0.00 0.00 0.00 174.94 174.01 3b7k s GLN 60 N 0.87 2.41 -0.46 2.79 0.74 -1.26 -0.59 119.66 124.16 3b7k s GLN 60 Ca -0.05 -0.79 -0.15 0.00 0.05 0.00 0.00 55.36 54.42 3b7k s GLN 60 Cb -0.15 -1.98 0.07 0.00 1.10 0.00 0.00 33.01 32.04 3b7k s GLN 60 CO -0.02 0.27 0.37 -0.06 -0.55 0.00 0.00 175.29 175.30 3b7k s PHE 61 N 0.07 3.25 -0.52 1.67 0.08 0.60 -4.39 117.98 118.75 3b7k s PHE 61 Ca -0.08 -0.97 0.26 0.00 0.12 0.00 0.00 56.93 56.25 3b7k s PHE 61 Cb -0.14 -3.09 0.78 0.00 -0.57 0.00 0.00 43.02 40.00 3b7k s PHE 61 CO 0.05 -0.78 1.74 0.93 -0.10 0.00 0.00 175.22 177.06 3b7k h GLU 62 N 8.70 0.00 -3.66 0.44 5.08 -0.92 -3.45 114.58 120.77 3b7k h GLU 62 Ca -0.28 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 3b7k h GLU 62 Cb 1.11 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.17 3b7k h GLU 62 CO 0.85 0.00 -0.49 -1.21 -1.00 0.00 0.00 179.01 177.15 3b7k s GLU 63 N -3.23 0.56 -0.10 2.33 0.41 -1.26 -5.02 118.70 112.40 3b7k s GLU 63 Ca 0.08 -0.60 -0.02 0.00 -0.41 0.00 0.00 54.97 54.01 3b7k s GLU 63 Cb 0.09 0.23 -0.03 0.00 -1.78 0.00 0.00 34.13 32.64 3b7k s GLU 63 CO 0.58 -0.14 -0.01 0.95 -0.49 0.00 0.00 175.26 176.15 3b7k s THR 64 N -2.12 4.20 0.52 3.63 -4.23 -1.26 -4.88 115.64 111.50 3b7k s THR 64 Ca -0.09 -0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 60.08 3b7k s THR 64 Cb -0.04 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 3b7k s THR 64 CO -0.02 0.58 0.84 0.00 -0.54 0.00 0.00 174.62 175.48 3b7k s ALA 65 N -0.58 3.34 0.23 3.99 0.00 -1.26 -5.00 121.76 122.48 3b7k s ALA 65 Ca 0.10 -0.50 0.09 0.00 0.00 0.00 0.00 51.96 51.64 3b7k s ALA 65 Cb -0.12 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 3b7k s ALA 65 CO 0.02 -0.50 -0.14 1.03 0.00 0.00 0.00 175.76 176.16 3b7k s ARG 66 N -4.86 1.44 0.26 0.00 0.52 -1.26 -2.00 118.95 113.05 3b7k s ARG 66 Ca 0.50 -1.66 -0.30 0.00 -0.52 0.00 0.00 55.73 53.75 3b7k s ARG 66 Cb -0.10 -1.27 -0.14 0.00 0.52 0.00 0.00 34.95 33.96 3b7k s ARG 66 CO 0.46 0.20 1.30 0.28 0.02 0.00 0.00 175.30 177.56 3b7k n VAL 67 N -0.46 1.30 -0.78 3.52 0.31 -0.32 -1.84 118.33 120.05 3b7k n VAL 67 Ca -0.07 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 3b7k n VAL 67 Cb 0.61 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 3b7k n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3b7k n GLY 68 N 1.73 0.54 3.63 2.92 0.00 -0.70 -5.05 105.19 108.26 3b7k n GLY 68 Ca 0.10 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 3b7k n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3b7k s GLN 69 N -1.23 2.00 -0.11 1.61 -0.21 -0.76 -3.08 119.66 117.88 3b7k s GLN 69 Ca 0.00 -1.98 0.02 0.00 0.02 0.00 0.00 55.36 53.43 3b7k s GLN 69 Cb 0.00 -1.76 0.01 0.00 1.00 0.00 0.00 33.01 32.26 3b7k s GLN 69 CO 0.00 -0.00 -0.18 0.08 -2.12 0.00 0.00 175.29 173.06 3b7k s VAL 70 N -2.64 1.71 -0.12 1.09 1.01 0.51 -1.59 120.40 120.38 3b7k s VAL 70 Ca 0.36 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 3b7k s VAL 70 Cb 0.06 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3b7k s VAL 70 CO 0.19 0.48 0.41 -0.63 0.00 0.00 0.00 175.10 175.55 3b7k s ILE 71 N 0.75 5.21 -0.11 2.22 1.01 -0.11 -0.78 121.20 129.39 3b7k s ILE 71 Ca -0.11 0.82 0.03 0.00 0.00 0.00 0.00 60.65 61.39 3b7k s ILE 71 Cb -0.16 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.57 3b7k s ILE 71 CO 0.02 0.37 -0.22 -0.89 0.00 0.00 0.00 174.94 174.22 3b7k s THR 72 N 0.38 1.96 -0.09 2.92 2.01 -0.25 -0.80 115.64 121.77 3b7k s THR 72 Ca 0.23 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.32 3b7k s THR 72 Cb -0.15 -1.71 -0.00 0.00 0.01 0.00 0.00 72.50 70.65 3b7k s THR 72 CO 0.09 0.53 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.69 3b7k s ILE 73 N 0.53 1.95 -0.07 1.82 1.01 -0.27 -0.61 121.20 125.56 3b7k s ILE 73 Ca -0.15 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.57 3b7k s ILE 73 Cb -0.17 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 3b7k s ILE 73 CO 0.05 0.54 -0.19 -0.54 0.00 0.00 0.00 174.94 174.80 3b7k s LYS 74 N 0.26 2.76 -0.02 2.79 1.02 -0.22 -1.42 119.74 124.91 3b7k s LYS 74 Ca -0.15 -0.79 0.04 0.00 0.02 0.00 0.00 55.97 55.09 3b7k s LYS 74 Cb -0.17 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.79 3b7k s LYS 74 CO 0.07 0.40 -0.14 0.00 -0.92 0.00 0.00 175.35 174.77 3b7k s ALA 75 N -0.18 1.17 0.01 5.17 0.00 -0.37 -1.22 121.76 126.34 3b7k s ALA 75 Ca -0.02 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.39 3b7k s ALA 75 Cb -0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 3b7k s ALA 75 CO 0.03 0.25 -0.03 0.21 0.00 0.00 0.00 175.76 176.23 3b7k s LYS 76 N -0.15 0.25 -0.24 0.00 2.20 -0.39 -1.50 119.74 119.92 3b7k s LYS 76 Ca 0.02 -0.24 -0.23 0.00 -0.36 0.00 0.00 55.97 55.16 3b7k s LYS 76 Cb -0.07 -0.16 -0.01 0.00 -1.51 0.00 0.00 37.83 36.08 3b7k s LYS 76 CO 0.00 0.04 0.74 0.08 -0.36 0.00 0.00 175.35 175.84 3b7k s VAL 77 N -0.41 4.91 -0.20 4.02 1.01 -1.26 -0.64 120.40 127.83 3b7k s VAL 77 Ca -0.03 1.37 0.16 0.00 0.00 0.00 0.00 61.98 63.48 3b7k s VAL 77 Cb -0.03 -4.03 -0.24 0.00 0.00 0.00 0.00 36.38 32.08 3b7k s VAL 77 CO -0.00 -0.02 0.07 0.35 0.00 0.00 0.00 175.10 175.50 3b7k n THR 78 N 5.18 1.41 -3.63 3.92 -2.24 -0.77 -4.95 114.28 113.20 3b7k n THR 78 Ca 0.03 -0.82 -0.14 0.00 -2.27 0.00 0.00 64.05 60.84 3b7k n THR 78 Cb 0.48 -0.60 -0.07 0.00 -2.10 0.00 0.00 70.33 68.03 3b7k n THR 78 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3b7k s ARG 79 N -2.50 0.82 0.03 -0.78 3.52 -1.25 -4.30 118.95 114.48 3b7k s ARG 79 Ca -0.13 0.80 0.03 0.00 -0.13 0.00 0.00 55.73 56.31 3b7k s ARG 79 Cb 0.06 0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 33.81 3b7k s ARG 79 CO 0.80 -0.13 -0.04 0.00 -0.81 0.00 0.00 175.30 175.13 3b7k s ALA 80 N 0.08 3.14 -0.01 6.12 0.00 -1.26 -1.94 121.76 127.90 3b7k s ALA 80 Ca -0.02 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 3b7k s ALA 80 Cb -0.04 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 3b7k s ALA 80 CO 0.02 0.64 -0.05 1.19 0.00 0.00 0.00 175.76 177.57 3b7k n PHE 81 N 1.23 0.00 0.19 0.00 3.72 -0.16 -4.87 117.46 117.57 3b7k n PHE 81 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 3b7k n PHE 81 Cb 0.52 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3b7k n PHE 81 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3b7k n SER 82 N -2.91 -2.53 -0.00 4.37 2.88 -1.26 -4.88 113.62 109.29 3b7k n SER 82 Ca -0.02 0.72 0.05 0.00 -1.33 0.00 0.00 58.87 58.30 3b7k n SER 82 Cb 0.07 2.45 -0.08 0.00 -0.75 0.00 0.00 64.21 65.91 3b7k n SER 82 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3b7k n THR 83 N -3.43 0.00 -4.29 2.46 -2.24 -1.26 -2.97 114.28 102.55 3b7k n THR 83 Ca 0.00 -0.25 -0.25 0.00 -2.27 0.00 0.00 64.05 61.27 3b7k n THR 83 Cb 0.00 0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 68.65 3b7k n THR 83 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3b7k s SER 84 N -2.84 4.38 0.01 3.42 1.04 -1.26 -0.19 113.70 118.25 3b7k s SER 84 Ca -0.01 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.83 3b7k s SER 84 Cb 0.07 -0.78 -0.01 0.00 0.10 0.00 0.00 66.02 65.41 3b7k s SER 84 CO 0.46 0.07 -0.05 -0.04 0.98 0.00 0.00 173.24 174.65 3b7k s MET 85 N -3.14 0.38 -0.04 4.02 1.00 0.10 -0.99 119.30 120.63 3b7k s MET 85 Ca 0.27 -0.38 -0.17 0.00 0.00 0.00 0.00 55.69 55.41 3b7k s MET 85 Cb -0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 34.83 34.45 3b7k s MET 85 CO 0.17 0.06 0.45 -2.00 0.00 0.00 0.00 175.02 173.70 3b7k s GLU 86 N -0.71 4.14 -0.16 2.03 2.12 -0.82 -1.25 118.70 124.05 3b7k s GLU 86 Ca -0.04 0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.76 3b7k s GLU 86 Cb -0.05 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 31.04 3b7k s GLU 86 CO -0.00 0.45 -0.19 0.42 -0.54 0.00 0.00 175.26 175.40 3b7k s ILE 87 N -0.33 1.93 -0.02 -3.70 1.01 0.11 -1.84 121.20 118.34 3b7k s ILE 87 Ca 0.25 -0.87 -0.27 0.00 0.00 0.00 0.00 60.65 59.76 3b7k s ILE 87 Cb -0.16 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 3b7k s ILE 87 CO 0.13 0.52 0.86 -0.55 0.00 0.00 0.00 174.94 175.90 3b7k s SER 88 N 1.18 7.22 0.00 3.58 0.15 0.18 -1.61 113.70 124.41 3b7k s SER 88 Ca 0.01 1.47 0.08 0.00 0.70 0.00 0.00 55.95 58.21 3b7k s SER 88 Cb -0.14 -2.50 -0.02 0.00 -1.71 0.00 0.00 66.02 61.65 3b7k s SER 88 CO -0.09 -0.19 -0.24 -0.63 1.20 0.00 0.00 173.24 173.29 3b7k s ILE 89 N 0.89 1.88 -0.04 6.45 1.01 -0.12 -1.26 121.20 130.01 3b7k s ILE 89 Ca 0.46 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3b7k s ILE 89 Cb -0.20 -1.57 0.03 0.00 0.01 0.00 0.00 42.46 40.72 3b7k s ILE 89 CO 0.24 0.45 -0.01 -0.75 0.00 0.00 0.00 174.94 174.88 3b7k s LYS 90 N -0.76 0.47 -0.14 2.79 2.20 -0.36 -1.79 119.74 122.16 3b7k s LYS 90 Ca 0.09 0.06 0.03 0.00 -0.36 0.00 0.00 55.97 55.79 3b7k s LYS 90 Cb -0.09 -0.67 0.01 0.00 -1.51 0.00 0.00 37.83 35.57 3b7k s LYS 90 CO -0.00 -0.17 -0.22 0.08 -0.36 0.00 0.00 175.35 174.68 3b7k s VAL 91 N 1.26 2.06 0.22 4.02 1.01 0.18 -1.06 120.40 128.09 3b7k s VAL 91 Ca -0.06 -0.98 0.12 0.00 0.00 0.00 0.00 61.98 61.05 3b7k s VAL 91 Cb -0.13 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 3b7k s VAL 91 CO -0.02 0.55 -0.23 -0.04 0.00 0.00 0.00 175.10 175.36 3b7k s MET 92 N 0.77 1.56 -0.01 2.72 -1.94 0.22 -0.45 119.30 122.17 3b7k s MET 92 Ca -0.08 -1.59 0.05 0.00 -1.71 0.00 0.00 55.69 52.36 3b7k s MET 92 Cb -0.16 -1.82 -0.01 0.00 2.01 0.00 0.00 34.83 34.85 3b7k s MET 92 CO -0.01 0.38 -0.18 0.54 -0.01 0.00 0.00 175.02 175.75 3b7k s VAL 93 N -1.90 1.38 -0.04 -6.03 0.11 -0.62 -1.09 120.40 112.21 3b7k s VAL 93 Ca 0.23 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 58.54 3b7k s VAL 93 Cb -0.07 -1.16 0.00 0.00 -1.53 0.00 0.00 36.38 33.62 3b7k s VAL 93 CO 0.11 0.37 -0.14 -1.58 -3.33 0.00 0.00 175.10 170.53 3b7k s GLN 94 N -0.48 1.50 0.00 1.54 0.74 0.04 -0.99 119.66 122.02 3b7k s GLN 94 Ca 0.07 -0.49 -0.30 0.00 0.05 0.00 0.00 55.36 54.69 3b7k s GLN 94 Cb -0.07 -1.32 -0.04 0.00 1.10 0.00 0.00 33.01 32.68 3b7k s GLN 94 CO -0.00 0.18 1.11 0.34 -0.55 0.00 0.00 175.29 176.37 3b7k s ASP 95 N 0.15 7.18 0.41 6.67 2.15 -0.80 -0.36 116.67 132.06 3b7k s ASP 95 Ca -0.05 1.82 0.29 0.00 0.43 0.00 0.00 52.55 55.04 3b7k s ASP 95 Cb -0.11 -2.57 1.34 0.00 -0.30 0.00 0.00 42.92 41.28 3b7k s ASP 95 CO 0.02 -0.43 1.87 0.24 -0.17 0.00 0.00 175.17 176.70 3b7k h MET 96 N 6.96 0.00 0.00 4.34 2.86 -1.89 -0.69 114.93 126.51 3b7k h MET 96 Ca -0.39 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 56.99 3b7k h MET 96 Cb 1.20 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.82 3b7k h MET 96 CO 0.81 0.00 -1.81 1.28 1.06 0.00 0.00 176.91 178.25 3b7k n LEU 97 N -2.58 1.56 -0.07 1.22 4.77 -1.26 -4.69 117.00 115.94 3b7k n LEU 97 Ca 0.00 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 56.14 3b7k n LEU 97 Cb 0.18 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 3b7k n LEU 97 CO 0.19 0.22 0.79 0.74 -1.33 0.00 0.00 177.39 178.01 3b7k h THR 98 N -0.76 1.23 0.00 -5.08 2.02 -1.99 -3.47 112.91 104.86 3b7k h THR 98 Ca -0.40 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.00 3b7k h THR 98 Cb 1.28 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 3b7k h THR 98 CO -0.24 0.25 0.00 0.61 0.37 0.00 0.00 175.52 176.51 3b7k n GLY 99 N -0.42 0.62 3.74 2.16 0.00 -0.27 -5.04 105.19 105.99 3b7k n GLY 99 Ca -0.04 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 3b7k n GLY 99 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3b7k s ILE 100 N -2.00 5.01 0.12 -0.61 2.07 -1.26 -4.81 121.20 119.72 3b7k s ILE 100 Ca 0.00 1.22 0.04 0.00 -1.41 0.00 0.00 60.65 60.50 3b7k s ILE 100 Cb 0.00 -3.93 -0.04 0.00 0.13 0.00 0.00 42.46 38.62 3b7k s ILE 100 CO 0.00 0.36 0.10 -1.61 -1.91 0.00 0.00 174.94 171.88 3b7k s GLU 101 N 0.24 2.88 0.03 3.50 2.02 -1.26 -1.91 118.70 124.21 3b7k s GLU 101 Ca 0.31 -0.78 -0.05 0.00 0.02 0.00 0.00 54.97 54.48 3b7k s GLU 101 Cb -0.17 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.36 3b7k s GLU 101 CO 0.16 0.53 0.07 0.15 0.02 0.00 0.00 175.26 176.19 3b7k s LYS 102 N -2.73 0.51 -0.03 1.61 1.02 -0.16 -4.98 119.74 114.99 3b7k s LYS 102 Ca 0.30 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 3b7k s LYS 102 Cb -0.11 0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 37.37 3b7k s LYS 102 CO 0.23 -0.12 1.12 -1.17 -0.92 0.00 0.00 175.35 174.49 3b7k s LEU 103 N -1.88 4.31 -0.23 3.17 2.96 -1.26 -1.58 118.68 124.17 3b7k s LEU 103 Ca -0.09 1.77 -0.14 0.00 -0.22 0.00 0.00 54.13 55.45 3b7k s LEU 103 Cb -0.04 -3.56 -0.17 0.00 0.50 0.00 0.00 46.19 42.91 3b7k s LEU 103 CO -0.03 -0.47 -0.01 0.52 -1.32 0.00 0.00 176.35 175.04 3b7k n VAL 104 N 4.33 1.56 -3.63 1.68 0.31 0.40 -4.21 118.33 118.78 3b7k n VAL 104 Ca 0.09 -0.29 -0.12 0.00 -0.01 0.00 0.00 64.34 64.01 3b7k n VAL 104 Cb 0.48 -1.88 -0.07 0.00 -0.91 0.00 0.00 33.84 31.46 3b7k n VAL 104 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3b7k s SER 105 N -7.07 -0.59 -0.19 4.52 0.15 -1.08 -0.32 113.70 109.12 3b7k s SER 105 Ca -0.32 1.10 -0.00 0.00 0.70 0.00 0.00 55.95 57.43 3b7k s SER 105 Cb 0.09 1.11 0.01 0.00 -1.71 0.00 0.00 66.02 65.52 3b7k s SER 105 CO 0.58 -0.22 -0.16 -0.69 1.20 0.00 0.00 173.24 173.95 3b7k s VAL 106 N 0.19 2.40 0.30 4.45 1.01 -1.26 -0.64 120.40 126.85 3b7k s VAL 106 Ca 0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 3b7k s VAL 106 Cb -0.05 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 3b7k s VAL 106 CO -0.02 0.51 0.40 0.00 0.00 0.00 0.00 175.10 175.99 3b7k s ALA 107 N 1.27 0.76 -0.03 5.51 0.00 -0.74 -4.70 121.76 123.83 3b7k s ALA 107 Ca 0.04 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.53 3b7k s ALA 107 Cb -0.14 1.21 0.01 0.00 0.00 0.00 0.00 23.12 24.21 3b7k s ALA 107 CO -0.09 -0.76 -0.07 -0.06 0.00 0.00 0.00 175.76 174.78 3b7k s PHE 108 N -3.45 0.82 0.09 0.00 0.08 -1.26 -0.94 117.98 113.32 3b7k s PHE 108 Ca 0.31 -0.21 0.04 0.00 0.12 0.00 0.00 56.93 57.19 3b7k s PHE 108 Cb 0.01 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 41.79 3b7k s PHE 108 CO 0.18 -0.13 -0.10 0.45 -0.10 0.00 0.00 175.22 175.51 3b7k s SER 109 N 0.48 1.46 -0.11 1.36 0.15 -0.63 -0.71 113.70 115.70 3b7k s SER 109 Ca -0.07 -0.79 0.01 0.00 0.70 0.00 0.00 55.95 55.81 3b7k s SER 109 Cb -0.11 0.00 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 3b7k s SER 109 CO 0.00 -0.24 -0.15 -0.89 1.20 0.00 0.00 173.24 173.16 3b7k s THR 110 N -2.31 2.86 0.06 6.45 2.01 0.33 0.05 115.64 125.10 3b7k s THR 110 Ca 0.04 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.39 3b7k s THR 110 Cb -0.04 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 3b7k s THR 110 CO 0.00 0.54 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.87 3b7k s PHE 111 N 0.14 2.16 -0.09 4.92 0.08 -0.38 -0.52 117.98 124.29 3b7k s PHE 111 Ca -0.08 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.60 3b7k s PHE 111 Cb -0.15 -1.26 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 3b7k s PHE 111 CO 0.05 0.16 -0.20 0.08 -0.10 0.00 0.00 175.22 175.22 3b7k s VAL 112 N -0.87 2.51 -0.16 -0.44 1.01 -0.12 -0.72 120.40 121.61 3b7k s VAL 112 Ca 0.11 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 3b7k s VAL 112 Cb -0.10 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 3b7k s VAL 112 CO 0.03 0.56 0.95 0.00 0.00 0.00 0.00 175.10 176.64 3b7k s ALA 113 N 0.06 3.51 -0.09 5.51 0.00 0.73 -1.22 121.76 130.25 3b7k s ALA 113 Ca -0.08 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.92 3b7k s ALA 113 Cb -0.15 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 3b7k s ALA 113 CO 0.05 -0.72 0.44 0.21 0.00 0.00 0.00 175.76 175.74 3b7k s LYS 114 N 2.32 4.24 0.52 0.00 2.47 0.29 -4.98 119.74 124.60 3b7k s LYS 114 Ca 0.44 0.39 -0.18 0.00 -1.56 0.00 0.00 55.97 55.06 3b7k s LYS 114 Cb -0.17 -3.38 -0.07 0.00 -1.46 0.00 0.00 37.83 32.75 3b7k s LYS 114 CO 0.13 0.30 1.03 -1.25 0.16 0.00 0.00 175.35 175.72 3b7k s PRO 115 N 0.19 3.68 0.00 4.03 0.04 -1.26 -4.35 135.00 137.33 3b7k s PRO 115 Ca 0.24 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.54 3b7k s PRO 115 Cb -0.15 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3b7k s PRO 115 CO 0.10 -0.52 0.40 0.28 0.04 0.00 0.00 177.00 177.30 3b7k n VAL 116 N -1.36 0.00 -0.26 -0.36 0.31 -1.26 -4.93 118.33 110.47 3b7k n VAL 116 Ca 0.09 0.81 0.00 0.00 -0.01 0.00 0.00 64.34 65.23 3b7k n VAL 116 Cb 0.53 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 3b7k n VAL 116 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3b7k n GLY 117 N 0.72 1.72 2.26 2.92 0.00 -1.26 -4.92 105.19 106.64 3b7k n GLY 117 Ca 0.00 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 3b7k n GLY 117 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3b7k n LYS 118 N 0.00 3.46 -3.83 1.61 2.85 -1.26 -4.93 118.16 116.06 3b7k n LYS 118 Ca 0.00 -2.03 -0.37 0.00 -1.05 0.00 0.00 58.31 54.86 3b7k n LYS 118 Cb 0.00 -2.68 -0.06 0.00 -0.65 0.00 0.00 35.03 31.64 3b7k n LYS 118 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3b7k s GLU 119 N 1.97 3.62 -0.17 -1.58 2.12 -1.26 -5.07 118.70 118.32 3b7k s GLU 119 Ca 0.69 -0.12 -0.23 0.00 0.36 0.00 0.00 54.97 55.67 3b7k s GLU 119 Cb 0.20 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.33 3b7k s GLU 119 CO -0.05 0.67 0.74 0.15 -0.54 0.00 0.00 175.26 176.23 3b7k s LYS 120 N -0.74 4.28 -0.13 4.30 -0.14 -1.26 -4.77 119.74 121.27 3b7k s LYS 120 Ca 0.14 0.85 -0.04 0.00 -1.36 0.00 0.00 55.97 55.56 3b7k s LYS 120 Cb -0.12 -3.56 -0.03 0.00 -1.68 0.00 0.00 37.83 32.43 3b7k s LYS 120 CO 0.03 -0.26 0.02 0.96 -0.76 0.00 0.00 175.35 175.35 3b7k s ILE 121 N 1.93 4.44 -0.25 2.17 -4.36 -1.26 -5.09 121.20 118.78 3b7k s ILE 121 Ca 0.34 -0.18 -0.01 0.00 -0.26 0.00 0.00 60.65 60.55 3b7k s ILE 121 Cb -0.16 -2.93 0.08 0.00 1.25 0.00 0.00 42.46 40.69 3b7k s ILE 121 CO 0.12 0.54 0.03 -1.00 0.24 0.00 0.00 174.94 174.87 3b7k s HIS 122 N -0.25 1.79 0.26 1.37 3.76 -1.26 -4.68 115.29 116.28 3b7k s HIS 122 Ca 0.06 -1.53 -0.30 0.00 -0.15 0.00 0.00 55.06 53.15 3b7k s HIS 122 Cb -0.12 -1.52 -0.09 0.00 1.11 0.00 0.00 32.58 31.96 3b7k s HIS 122 CO 0.02 -0.77 0.99 -0.51 -0.85 0.00 0.00 174.74 173.63 3b7k s LEU 123 N 1.59 4.59 0.54 0.89 1.43 -1.16 -5.05 118.68 121.52 3b7k s LEU 123 Ca 0.02 2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 55.04 3b7k s LEU 123 Cb -0.18 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 3b7k s LEU 123 CO -0.13 0.04 0.97 -1.59 0.23 0.00 0.00 176.35 175.86 3b7k s LYS 124 N -1.33 3.79 0.94 1.70 -2.85 -1.26 -4.85 119.74 115.87 3b7k s LYS 124 Ca 0.43 0.79 -0.10 0.00 -1.00 0.00 0.00 55.97 56.09 3b7k s LYS 124 Cb -0.28 -2.16 0.16 0.00 -2.06 0.00 0.00 37.83 33.50 3b7k s LYS 124 CO 0.34 -0.35 1.13 -2.14 0.10 0.00 0.00 175.35 174.44 3b7k s PRO 125 N -4.47 0.80 -0.17 1.78 0.02 -1.26 -4.73 135.00 126.97 3b7k s PRO 125 Ca 0.56 1.47 -0.21 0.00 0.02 0.00 0.00 61.00 62.85 3b7k s PRO 125 Cb -0.10 -1.71 -0.03 0.00 0.02 0.00 0.00 34.50 32.68 3b7k s PRO 125 CO 0.40 -2.76 0.61 0.08 -0.33 0.00 0.00 177.00 175.00 3b7k s VAL 126 N -2.63 5.06 -0.08 3.83 1.01 -1.26 -4.98 120.40 121.35 3b7k s VAL 126 Ca 0.67 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 63.52 3b7k s VAL 126 Cb -0.23 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 3b7k s VAL 126 CO 0.59 0.17 2.00 -0.89 0.00 0.00 0.00 175.10 176.97 3b7k s THR 127 N 1.54 3.11 -0.16 3.92 2.01 -1.26 -4.97 115.64 119.83 3b7k s THR 127 Ca 0.29 0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.29 3b7k s THR 127 Cb -0.16 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 3b7k s THR 127 CO 0.11 -0.04 0.26 -0.76 -0.69 0.00 0.00 174.62 173.51 3b7k s LEU 128 N 5.79 4.25 0.14 4.42 1.43 -1.26 -4.97 118.68 128.48 3b7k s LEU 128 Ca 0.90 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 3b7k s LEU 128 Cb -0.37 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.53 3b7k s LEU 128 CO 0.38 0.13 0.00 -0.11 0.23 0.00 0.00 176.35 176.98 3b7k n LEU 129 N 3.46 0.68 -4.78 1.79 7.94 -1.26 -5.03 117.00 119.80 3b7k n LEU 129 Ca -0.13 0.22 -0.30 0.00 -1.11 0.00 0.00 56.01 54.69 3b7k n LEU 129 Cb 0.52 -0.11 0.10 0.00 0.53 0.00 0.00 43.42 44.46 3b7k n LEU 129 CO 0.39 -0.71 0.70 -0.89 -1.11 0.00 0.00 177.39 175.77 3b7k s THR 130 N -2.00 3.12 0.22 1.96 2.01 -1.26 -4.94 115.64 114.75 3b7k s THR 130 Ca 0.00 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 3b7k s THR 130 Cb 0.00 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.52 3b7k s THR 130 CO 0.00 -0.47 1.60 -0.33 -0.69 0.00 0.00 174.62 174.73 3b7k h GLU 131 N -1.18 0.57 -0.25 4.92 3.07 -2.00 -2.89 114.58 116.82 3b7k h GLU 131 Ca -0.47 -0.28 -0.04 0.00 -0.50 0.00 0.00 59.36 58.07 3b7k h GLU 131 Cb 1.26 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 3b7k h GLU 131 CO 0.56 0.86 -0.03 0.37 -1.40 0.00 0.00 179.01 179.38 3b7k h GLN 132 N 0.47 0.37 -0.23 2.33 5.75 -1.99 -1.32 115.11 120.50 3b7k h GLN 132 Ca 0.04 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 3b7k h GLN 132 Cb 0.88 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.33 3b7k h GLN 132 CO 0.08 0.43 -0.07 -0.44 -2.65 0.00 0.00 178.83 176.17 3b7k h ASP 133 N 0.36 -0.25 -0.72 -0.69 3.32 -1.88 -0.47 116.42 116.09 3b7k h ASP 133 Ca 0.08 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 3b7k h ASP 133 Cb 0.29 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3b7k h ASP 133 CO 0.01 -0.09 0.20 0.45 -1.72 0.00 0.00 179.24 178.09 3b7k h HIS 134 N -0.02 1.19 -0.93 4.55 3.86 -1.30 -1.19 115.15 121.31 3b7k h HIS 134 Ca 0.11 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3b7k h HIS 134 Cb 0.19 -0.34 -0.05 0.00 1.06 0.00 0.00 27.41 28.28 3b7k h HIS 134 CO -0.25 0.95 0.60 0.28 0.86 0.00 0.00 177.93 180.37 3b7k h VAL 135 N 1.09 1.24 -0.06 2.45 2.07 -1.01 -1.96 116.25 120.08 3b7k h VAL 135 Ca 0.23 -0.47 -0.17 0.00 0.82 0.00 0.00 66.70 67.10 3b7k h VAL 135 Cb 0.34 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3b7k h VAL 135 CO -0.00 0.24 -0.72 -0.08 0.02 0.00 0.00 177.57 177.03 3b7k h GLU 136 N 1.27 0.30 -0.70 1.57 4.57 -0.77 -2.27 114.58 118.54 3b7k h GLU 136 Ca 0.34 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 58.20 3b7k h GLU 136 Cb -0.12 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 3b7k h GLU 136 CO -0.07 0.90 0.15 1.25 -1.18 0.00 0.00 179.01 180.06 3b7k h HIS 137 N 0.20 1.20 0.63 0.92 2.76 -0.92 -2.27 115.15 117.68 3b7k h HIS 137 Ca -0.03 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 57.96 3b7k h HIS 137 Cb 1.28 -0.34 0.01 0.00 1.55 0.00 0.00 27.41 29.91 3b7k h HIS 137 CO 0.03 0.98 -0.30 -0.91 -1.30 0.00 0.00 177.93 176.43 3b7k h ASN 138 N 1.07 -0.72 0.46 3.26 2.35 -1.27 -3.24 115.58 117.49 3b7k h ASN 138 Ca 0.22 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3b7k h ASN 138 Cb 0.40 0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3b7k h ASN 138 CO 0.01 -0.46 0.00 0.18 -1.65 0.00 0.00 177.43 175.51 3b7k n LEU 139 N -5.42 0.05 -0.08 1.61 4.77 -0.86 -2.37 117.00 114.69 3b7k n LEU 139 Ca -0.13 0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 56.31 3b7k n LEU 139 Cb 0.36 -0.51 0.14 0.00 -2.33 0.00 0.00 43.42 41.07 3b7k n LEU 139 CO 0.36 -0.30 0.78 0.00 -1.33 0.00 0.00 177.39 176.90 3b7k h ALA 140 N 2.43 1.00 -0.17 -1.18 0.00 -1.43 -2.75 119.26 117.17 3b7k h ALA 140 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 3b7k h ALA 140 Cb 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3b7k h ALA 140 CO 0.00 0.59 -0.66 0.00 0.00 0.00 0.00 179.25 179.18 3b7k h ALA 141 N 1.19 0.53 -0.26 0.00 0.00 -1.62 -0.06 119.26 119.03 3b7k h ALA 141 Ca 0.11 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 3b7k h ALA 141 Cb 0.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3b7k h ALA 141 CO 0.04 0.71 -0.19 0.93 0.00 0.00 0.00 179.25 180.74 3b7k h GLU 142 N 0.46 0.46 0.00 0.00 4.39 -1.67 -0.74 114.58 117.48 3b7k h GLU 142 Ca -0.02 -0.15 -0.20 0.00 0.34 0.00 0.00 59.36 59.34 3b7k h GLU 142 Cb 1.25 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 3b7k h GLU 142 CO 0.13 0.63 -0.88 0.00 -1.16 0.00 0.00 179.01 177.73 3b7k h ARG 143 N 0.42 0.19 -0.44 2.33 3.08 -1.39 -2.95 114.38 115.62 3b7k h ARG 143 Ca 0.07 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 59.79 3b7k h ARG 143 Cb 0.57 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3b7k h ARG 143 CO 0.04 0.95 -0.21 -0.09 -1.07 0.00 0.00 179.97 179.59 3b7k h ARG 144 N 0.10 0.91 -0.00 0.04 2.43 -0.65 -1.96 114.38 115.25 3b7k h ARG 144 Ca -0.04 -0.40 0.01 0.00 -0.81 0.00 0.00 59.98 58.74 3b7k h ARG 144 Cb 1.51 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 3b7k h ARG 144 CO 0.13 1.05 -0.03 0.87 -1.51 0.00 0.00 179.97 180.49 3b7k h LYS 145 N 0.74 -0.04 -0.36 0.20 1.57 -1.20 -2.31 116.57 115.17 3b7k h LYS 145 Ca 0.10 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 3b7k h LYS 145 Cb 0.78 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 3b7k h LYS 145 CO 0.06 -0.03 -0.05 0.28 -0.57 0.00 0.00 179.45 179.14 3b7k h VAL 146 N -0.04 0.68 -0.02 0.50 2.07 -1.47 -1.27 116.25 116.70 3b7k h VAL 146 Ca 0.01 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3b7k h VAL 146 Cb 0.06 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3b7k h VAL 146 CO -0.03 0.01 -0.11 0.03 0.02 0.00 0.00 177.57 177.48 3b7k h ARG 147 N 0.04 -0.13 -0.36 1.57 3.08 -1.18 -1.39 114.38 116.01 3b7k h ARG 147 Ca 0.17 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.34 3b7k h ARG 147 Cb 0.26 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3b7k h ARG 147 CO -0.34 -0.09 0.32 -0.07 -1.07 0.00 0.00 179.97 178.73 3b7k h LEU 148 N -0.13 0.00 -0.29 3.04 3.38 -1.27 -0.82 115.31 119.21 3b7k h LEU 148 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3b7k h LEU 148 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3b7k h LEU 148 CO -0.09 0.00 -0.76 -0.61 0.09 0.00 0.00 178.44 177.07 3b7k h GLN 149 N 0.00 0.57 0.00 1.13 5.75 -0.78 -3.52 115.11 118.27 3b7k h GLN 149 Ca 0.17 -0.47 -0.05 0.00 -0.15 0.00 0.00 58.65 58.15 3b7k h GLN 149 Cb 0.81 0.10 0.02 0.00 1.07 0.00 0.00 27.48 29.48 3b7k h GLN 149 CO -0.00 1.10 0.04 1.58 -2.65 0.00 0.00 178.83 178.90 3b7k n HIS 150 N -3.88 -3.69 0.00 3.99 -0.00 -0.32 -5.10 115.22 106.23 3b7k n HIS 150 Ca -0.06 -0.13 0.00 0.00 0.46 0.00 0.00 57.72 57.99 3b7k n HIS 150 Cb 0.73 -0.13 0.00 0.00 -0.12 0.00 0.00 29.99 30.47 3b7k n HIS 150 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 3b7k n THR 181 N -2.41 0.00 -3.73 3.57 -2.24 -1.26 -5.10 114.28 103.11 3b7k n THR 181 Ca 0.02 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 3b7k n THR 181 Cb 0.07 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.21 3b7k n THR 181 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3b7k s SER 182 N -1.34 -0.30 -0.08 3.42 1.04 -1.26 -3.74 113.70 111.44 3b7k s SER 182 Ca 0.00 0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.79 3b7k s SER 182 Cb 0.00 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.59 3b7k s SER 182 CO 0.00 -0.38 -0.18 -0.69 0.98 0.00 0.00 173.24 172.97 3b7k s VAL 183 N -0.92 1.58 -0.13 5.02 1.01 -0.65 -4.98 120.40 121.34 3b7k s VAL 183 Ca -0.10 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 3b7k s VAL 183 Cb -0.04 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3b7k s VAL 183 CO 0.04 0.45 0.07 -1.58 0.00 0.00 0.00 175.10 174.08 3b7k s GLN 184 N 0.53 3.45 0.26 2.72 0.74 -1.26 -1.88 119.66 124.23 3b7k s GLN 184 Ca -0.16 -0.29 -0.09 0.00 0.05 0.00 0.00 55.36 54.86 3b7k s GLN 184 Cb -0.17 -3.06 -0.01 0.00 1.10 0.00 0.00 33.01 30.87 3b7k s GLN 184 CO 0.06 0.60 0.44 0.45 -0.55 0.00 0.00 175.29 176.29 3b7k s SER 185 N -0.55 0.13 -0.20 6.67 0.15 0.67 -5.01 113.70 115.56 3b7k s SER 185 Ca 0.11 -1.10 -0.16 0.00 0.70 0.00 0.00 55.95 55.51 3b7k s SER 185 Cb -0.12 0.58 0.06 0.00 -1.71 0.00 0.00 66.02 64.83 3b7k s SER 185 CO 0.02 -1.15 0.51 -0.51 1.20 0.00 0.00 173.24 173.32 3b7k s ILE 186 N -3.81 -0.01 0.01 6.45 2.07 -1.26 -0.20 121.20 124.45 3b7k s ILE 186 Ca 0.26 0.02 0.04 0.00 -1.41 0.00 0.00 60.65 59.56 3b7k s ILE 186 Cb 0.00 -0.73 -0.01 0.00 0.13 0.00 0.00 42.46 41.85 3b7k s ILE 186 CO 0.12 0.01 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.32 3b7k s GLU 187 N 0.74 1.00 -0.23 3.50 2.56 -0.68 -5.00 118.70 120.59 3b7k s GLU 187 Ca -0.04 -0.56 -0.15 0.00 0.00 0.00 0.00 54.97 54.22 3b7k s GLU 187 Cb -0.05 -0.98 -0.04 0.00 2.00 0.00 0.00 34.13 35.06 3b7k s GLU 187 CO -0.05 0.26 0.36 -1.17 -0.56 0.00 0.00 175.26 174.09 3b7k s LEU 188 N -0.60 4.11 -0.16 2.70 2.96 -1.26 -1.02 118.68 125.41 3b7k s LEU 188 Ca 0.04 0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 54.04 3b7k s LEU 188 Cb -0.06 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 3b7k s LEU 188 CO 0.00 -0.09 1.43 -0.69 -1.32 0.00 0.00 176.35 175.68 3b7k s VAL 189 N 1.53 3.98 0.42 1.68 1.01 0.03 -5.01 120.40 124.04 3b7k s VAL 189 Ca 0.16 1.16 0.07 0.00 0.00 0.00 0.00 61.98 63.37 3b7k s VAL 189 Cb -0.15 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3b7k s VAL 189 CO 0.08 -0.18 0.24 -0.76 0.00 0.00 0.00 175.10 174.49 3b7k s LEU 190 N 4.02 3.17 0.23 3.92 1.02 -1.26 -1.94 118.68 127.84 3b7k s LEU 190 Ca 0.63 -1.00 -0.11 0.00 0.02 0.00 0.00 54.13 53.67 3b7k s LEU 190 Cb -0.25 -1.59 0.32 0.00 0.02 0.00 0.00 46.19 44.69 3b7k s LEU 190 CO 0.22 -0.60 1.63 -0.65 0.02 0.00 0.00 176.35 176.96 3b7k h PRO 191 N 1.28 0.04 0.00 1.29 0.11 -1.95 -1.41 132.00 131.36 3b7k h PRO 191 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3b7k h PRO 191 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3b7k h PRO 191 CO 0.66 0.02 0.00 -0.35 -0.21 0.00 0.00 178.00 178.12 3b7k n PRO 192 N -5.41 0.10 -0.08 1.05 -0.04 -1.26 -2.40 135.00 126.96 3b7k n PRO 192 Ca 0.10 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 3b7k n PRO 192 Cb 0.39 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.64 3b7k n PRO 192 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3b7k n HIS 193 N -1.35 0.22 -3.85 0.54 8.25 -0.53 -4.94 115.22 113.56 3b7k n HIS 193 Ca 0.04 -0.11 -0.11 0.00 -0.26 0.00 0.00 57.72 57.28 3b7k n HIS 193 Cb 0.09 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.11 3b7k n HIS 193 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b7k s ALA 194 N -1.78 -0.36 0.91 -1.41 0.00 -1.01 -1.53 121.76 116.57 3b7k s ALA 194 Ca 0.34 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 3b7k s ALA 194 Cb 0.20 0.20 0.14 0.00 0.00 0.00 0.00 23.12 23.66 3b7k s ALA 194 CO 0.30 -0.30 1.12 0.54 0.00 0.00 0.00 175.76 177.42 3b7k s ASN 195 N -1.79 3.51 0.00 0.00 2.20 -1.02 -4.80 114.94 113.03 3b7k s ASN 195 Ca -0.09 1.10 0.01 0.00 -0.94 0.00 0.00 52.86 52.95 3b7k s ASN 195 Cb -0.04 -1.73 0.06 0.00 -2.00 0.00 0.00 41.25 37.54 3b7k s ASN 195 CO -0.01 -2.57 1.00 0.00 -2.94 0.00 0.00 177.10 172.57 3b7k n HIS 196 N -3.79 0.00 0.03 1.54 1.44 -1.26 0.89 115.22 114.07 3b7k n HIS 196 Ca 0.06 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.63 3b7k n HIS 196 Cb 0.58 -0.45 -0.14 0.00 0.12 0.00 0.00 29.99 30.10 3b7k n HIS 196 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3b7k h HIS 197 N 0.00 0.28 0.00 -1.40 3.86 -2.01 -3.48 115.15 112.40 3b7k h HIS 197 Ca 0.00 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 3b7k h HIS 197 Cb 0.02 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3b7k h HIS 197 CO 0.00 1.28 0.00 0.41 0.86 0.00 0.00 177.93 180.48 3b7k n GLY 198 N 1.64 0.68 3.59 2.45 0.00 0.26 -5.01 105.19 108.79 3b7k n GLY 198 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 3b7k n GLY 198 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3b7k s ASN 199 N -0.50 6.60 -0.18 1.61 -0.87 -1.25 -1.44 114.94 118.91 3b7k s ASN 199 Ca 0.00 0.38 -0.40 0.00 -1.57 0.00 0.00 52.86 51.27 3b7k s ASN 199 Cb 0.00 -2.48 -0.17 0.00 -0.02 0.00 0.00 41.25 38.58 3b7k s ASN 199 CO 0.00 -1.03 1.57 0.41 -2.57 0.00 0.00 177.10 175.48 3b7k n THR 200 N 6.35 0.16 -1.69 1.60 -1.04 -1.02 -2.45 114.28 116.20 3b7k n THR 200 Ca 0.08 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.05 61.66 3b7k n THR 200 Cb 0.48 -0.94 0.02 0.00 -1.82 0.00 0.00 70.33 68.08 3b7k n THR 200 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3b7k n PHE 201 N 4.14 1.99 -0.12 -1.42 3.72 -0.58 -4.80 117.46 120.39 3b7k n PHE 201 Ca 0.24 0.49 -0.08 0.00 -0.05 0.00 0.00 57.45 58.05 3b7k n PHE 201 Cb 0.12 -2.35 -0.00 0.00 -0.94 0.00 0.00 39.48 36.31 3b7k n PHE 201 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3b7k h GLY 202 N 1.87 0.54 1.95 1.37 0.00 -1.91 -3.09 103.07 103.79 3b7k h GLY 202 Ca -0.48 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 3b7k h GLY 202 CO 0.59 0.20 -0.12 -1.33 0.00 0.00 0.00 176.54 175.88 3b7k h GLY 203 N 0.51 0.06 0.73 4.60 0.00 -1.87 -0.69 103.07 106.41 3b7k h GLY 203 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3b7k h GLY 203 CO -0.03 0.03 0.00 -1.61 0.00 0.00 0.00 176.54 174.93 3b7k h GLN 204 N 0.06 0.08 -0.84 4.80 5.75 -1.87 -0.95 115.11 122.14 3b7k h GLN 204 Ca 0.01 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3b7k h GLN 204 Cb 0.26 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 3b7k h GLN 204 CO 0.02 0.35 0.54 0.82 -2.65 0.00 0.00 178.83 177.91 3b7k h ILE 205 N -0.21 1.22 0.00 2.39 2.04 -1.39 -1.83 117.51 119.73 3b7k h ILE 205 Ca 0.01 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3b7k h ILE 205 Cb 0.31 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3b7k h ILE 205 CO 0.00 0.22 -0.16 0.24 0.00 0.00 0.00 178.15 178.45 3b7k h MET 206 N 1.14 0.00 0.19 2.37 2.86 -0.93 0.58 114.93 121.15 3b7k h MET 206 Ca 0.31 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 3b7k h MET 206 Cb -0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3b7k h MET 206 CO -0.06 0.16 -0.09 0.00 1.06 0.00 0.00 176.91 177.98 3b7k h ALA 207 N 1.84 -0.26 -0.56 6.32 0.00 -0.37 -3.13 119.26 123.10 3b7k h ALA 207 Ca -0.00 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.93 3b7k h ALA 207 Cb 0.35 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3b7k h ALA 207 CO 0.02 -0.27 0.45 -1.49 0.00 0.00 0.00 179.25 177.96 3b7k h TRP 208 N -1.02 0.00 -0.06 0.00 6.55 -1.37 -0.37 115.95 119.69 3b7k h TRP 208 Ca -0.03 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.75 3b7k h TRP 208 Cb 0.37 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.66 3b7k h TRP 208 CO 0.04 0.00 -0.27 1.98 -1.05 0.00 0.00 178.44 179.14 3b7k h MET 209 N 0.00 0.10 0.07 0.49 4.05 -0.90 -3.01 114.93 115.73 3b7k h MET 209 Ca 0.27 -0.03 -0.34 0.00 -0.28 0.00 0.00 59.70 59.32 3b7k h MET 209 Cb 1.15 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.91 3b7k h MET 209 CO -0.00 0.37 -1.90 -0.85 0.23 0.00 0.00 176.91 174.75 3b7k n GLU 210 N -4.18 0.70 0.24 0.39 -0.00 -0.19 -3.28 120.64 114.33 3b7k n GLU 210 Ca -0.02 0.27 0.08 0.00 -0.00 0.00 0.00 57.16 57.49 3b7k n GLU 210 Cb 0.34 -1.73 0.60 0.00 -0.00 0.00 0.00 31.44 30.65 3b7k n GLU 210 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 3b7k h THR 211 N 0.04 0.97 0.16 3.84 2.02 -1.46 0.25 112.91 118.73 3b7k h THR 211 Ca -0.37 -0.40 -0.27 0.00 0.77 0.00 0.00 66.41 66.13 3b7k h THR 211 Cb 2.03 1.22 0.01 0.00 -1.74 0.00 0.00 68.15 69.68 3b7k h THR 211 CO 0.08 0.11 -1.32 0.58 0.37 0.00 0.00 175.52 175.34 3b7k h VAL 212 N 0.00 1.19 -0.37 3.16 2.07 -1.69 -3.33 116.25 117.28 3b7k h VAL 212 Ca -0.00 -2.50 -0.00 0.00 0.82 0.00 0.00 66.70 65.01 3b7k h VAL 212 Cb 0.21 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 3b7k h VAL 212 CO 0.01 0.75 0.23 0.00 0.02 0.00 0.00 177.57 178.58 3b7k h ALA 213 N 0.05 0.47 -0.72 1.67 0.00 -1.40 -2.84 119.26 116.49 3b7k h ALA 213 Ca -0.26 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 54.76 3b7k h ALA 213 Cb 1.85 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 19.38 3b7k h ALA 213 CO 0.14 -0.05 0.14 1.15 0.00 0.00 0.00 179.25 180.63 3b7k h THR 214 N 0.49 0.49 -0.72 0.00 2.02 -0.68 0.86 112.91 115.37 3b7k h THR 214 Ca 0.13 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 3b7k h THR 214 Cb -0.02 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 3b7k h THR 214 CO -0.03 0.04 0.26 0.40 0.37 0.00 0.00 175.52 176.56 3b7k h ILE 215 N 0.23 1.25 -0.56 3.11 2.04 -1.61 0.29 117.51 122.26 3b7k h ILE 215 Ca 0.40 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 3b7k h ILE 215 Cb 0.69 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3b7k h ILE 215 CO -0.53 0.33 0.05 -1.28 0.00 0.00 0.00 178.15 176.72 3b7k h SER 216 N 1.05 0.93 0.42 1.72 0.87 -0.98 0.28 113.55 117.84 3b7k h SER 216 Ca 0.24 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 3b7k h SER 216 Cb 0.26 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3b7k h SER 216 CO -0.01 0.98 -0.32 0.00 -0.53 0.00 0.00 176.83 176.95 3b7k h ALA 217 N 0.98 1.34 0.00 6.23 0.00 -0.39 -2.26 119.26 125.17 3b7k h ALA 217 Ca 0.17 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3b7k h ALA 217 Cb 0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3b7k h ALA 217 CO 0.02 0.40 -0.43 0.77 0.00 0.00 0.00 179.25 180.01 3b7k h SER 218 N 0.00 0.00 1.20 0.00 0.02 0.06 -3.25 113.55 111.57 3b7k h SER 218 Ca -0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 3b7k h SER 218 Cb 0.62 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3b7k h SER 218 CO 0.04 0.43 -0.60 -0.09 -1.14 0.00 0.00 176.83 175.48 3b7k h ARG 219 N 0.00 0.00 0.00 3.45 2.43 -0.36 -3.39 114.38 116.51 3b7k h ARG 219 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3b7k h ARG 219 Cb 1.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3b7k h ARG 219 CO 0.06 0.60 0.00 -0.11 -1.51 0.00 0.00 179.97 179.01 3b7k n LEU 220 N -3.35 1.27 -4.81 3.80 -0.00 -1.06 -4.57 117.00 108.28 3b7k n LEU 220 Ca 0.01 0.34 -0.38 0.00 -0.00 0.00 0.00 56.01 55.98 3b7k n LEU 220 Cb 0.73 -0.23 -0.06 0.00 -0.00 0.00 0.00 43.42 43.86 3b7k n LEU 220 CO 0.41 -0.23 0.10 0.00 -0.00 0.00 0.00 177.39 177.67 3b7k n TRP 222 N 2.32 1.70 -3.76 0.00 5.03 -1.26 -4.50 117.44 116.98 3b7k n TRP 222 Ca -0.13 -2.62 -0.13 0.00 3.03 0.00 0.00 57.50 57.65 3b7k n TRP 222 Cb 0.52 -2.23 -0.09 0.00 -1.03 0.00 0.00 31.31 28.48 3b7k n TRP 222 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3b7k s ALA 223 N 1.82 -0.81 -0.31 6.99 0.00 -1.26 -5.12 121.76 123.06 3b7k s ALA 223 Ca 0.69 0.50 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 3b7k s ALA 223 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 3b7k s ALA 223 CO -0.04 -0.24 1.56 -1.01 0.00 0.00 0.00 175.76 176.03 3b7k s HIS 224 N -0.93 2.20 0.28 0.00 3.76 -1.26 -4.64 115.29 114.70 3b7k s HIS 224 Ca -0.10 0.65 0.02 0.00 -0.15 0.00 0.00 55.06 55.48 3b7k s HIS 224 Cb -0.04 -4.10 -0.03 0.00 1.11 0.00 0.00 32.58 29.51 3b7k s HIS 224 CO 0.03 -2.49 0.44 -1.25 -0.85 0.00 0.00 174.74 170.62 3b7k s PRO 225 N 4.91 3.47 0.01 8.40 0.04 -1.26 -4.96 135.00 145.61 3b7k s PRO 225 Ca 0.68 -0.53 0.06 0.00 0.04 0.00 0.00 61.00 61.25 3b7k s PRO 225 Cb -0.20 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.52 3b7k s PRO 225 CO 0.30 0.31 -0.18 -0.59 0.04 0.00 0.00 177.00 176.88 3b7k s PHE 226 N -2.11 2.57 0.28 0.56 -0.71 -0.88 -4.87 117.98 112.82 3b7k s PHE 226 Ca 0.37 -0.25 -0.29 0.00 -1.04 0.00 0.00 56.93 55.72 3b7k s PHE 226 Cb -0.09 -1.51 -0.10 0.00 -1.21 0.00 0.00 43.02 40.11 3b7k s PHE 226 CO 0.32 0.21 1.23 -1.17 -1.34 0.00 0.00 175.22 174.47 3b7k s LEU 227 N -1.18 4.47 -0.06 -1.99 2.96 -1.26 -0.95 118.68 120.67 3b7k s LEU 227 Ca 0.13 2.48 -0.01 0.00 -0.22 0.00 0.00 54.13 56.52 3b7k s LEU 227 Cb -0.10 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 3b7k s LEU 227 CO 0.03 -0.40 -0.06 1.17 -1.32 0.00 0.00 176.35 175.77 3b7k n LYS 228 N 1.33 0.14 -3.61 1.98 4.81 -0.45 -4.82 118.16 117.54 3b7k n LYS 228 Ca 0.01 0.04 -0.14 0.00 -0.87 0.00 0.00 58.31 57.35 3b7k n LYS 228 Cb 0.43 -0.97 -0.06 0.00 0.02 0.00 0.00 35.03 34.45 3b7k n LYS 228 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3b7k s SER 229 N -4.95 -0.39 -0.18 3.14 1.04 -1.17 -0.29 113.70 110.90 3b7k s SER 229 Ca -0.08 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.53 3b7k s SER 229 Cb 0.03 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.62 3b7k s SER 229 CO 0.13 -0.66 -0.20 -0.69 0.98 0.00 0.00 173.24 172.80 3b7k s VAL 230 N -2.20 2.08 0.40 5.02 1.01 0.24 -1.30 120.40 125.66 3b7k s VAL 230 Ca -0.07 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 3b7k s VAL 230 Cb -0.01 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.41 3b7k s VAL 230 CO 0.00 0.54 1.11 -1.81 0.00 0.00 0.00 175.10 174.94 3b7k s ASP 231 N 1.28 6.61 0.03 3.32 1.01 -0.77 -2.25 116.67 125.90 3b7k s ASP 231 Ca 0.05 2.18 -0.38 0.00 0.71 0.00 0.00 52.55 55.12 3b7k s ASP 231 Cb -0.13 -2.60 -0.17 0.00 1.01 0.00 0.00 42.92 41.03 3b7k s ASP 231 CO -0.12 -0.61 1.37 0.80 0.21 0.00 0.00 175.17 176.82 3b7k n MET 232 N -0.04 1.02 -3.76 8.23 0.00 -1.26 -4.50 117.12 116.80 3b7k n MET 232 Ca 0.05 0.37 -0.13 0.00 0.00 0.00 0.00 57.70 57.99 3b7k n MET 232 Cb 0.48 -2.00 -0.09 0.00 0.00 0.00 0.00 33.22 31.61 3b7k n MET 232 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 3b7k s PHE 233 N 0.85 -0.24 0.04 1.12 -0.71 -0.77 -4.91 117.98 113.35 3b7k s PHE 233 Ca 0.87 0.48 0.01 0.00 -1.04 0.00 0.00 56.93 57.25 3b7k s PHE 233 Cb -1.01 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 40.87 3b7k s PHE 233 CO 0.51 -0.32 0.10 0.21 -1.34 0.00 0.00 175.22 174.37 3b7k s LYS 234 N -0.81 3.04 -0.24 1.99 2.20 -1.26 -1.75 119.74 122.91 3b7k s LYS 234 Ca -0.09 -0.56 -0.21 0.00 -0.36 0.00 0.00 55.97 54.75 3b7k s LYS 234 Cb -0.04 -2.83 -0.02 0.00 -1.51 0.00 0.00 37.83 33.43 3b7k s LYS 234 CO 0.03 0.61 0.65 -0.06 -0.36 0.00 0.00 175.35 176.22 3b7k s PHE 235 N -1.31 3.31 -0.20 4.03 0.08 -0.15 -4.64 117.98 119.10 3b7k s PHE 235 Ca 0.27 0.88 -0.19 0.00 0.12 0.00 0.00 56.93 58.00 3b7k s PHE 235 Cb -0.12 -2.85 -0.16 0.00 -0.57 0.00 0.00 43.02 39.32 3b7k s PHE 235 CO 0.19 -0.29 0.14 0.54 -0.10 0.00 0.00 175.22 175.70 3b7k n ARG 236 N 5.56 0.55 -4.37 0.44 1.74 0.56 -4.89 116.66 116.24 3b7k n ARG 236 Ca -0.00 0.57 -0.26 0.00 -0.77 0.00 0.00 57.85 57.38 3b7k n ARG 236 Cb 0.49 -1.74 -0.12 0.00 -1.02 0.00 0.00 32.46 30.07 3b7k n ARG 236 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3b7k s GLY 237 N -4.76 1.51 0.51 -0.13 0.00 -1.25 -5.05 107.32 98.14 3b7k s GLY 237 Ca -0.27 -1.47 -0.19 0.00 0.00 0.00 0.00 44.72 42.79 3b7k s GLY 237 CO 0.53 -1.48 1.05 2.56 0.00 0.00 0.00 173.10 175.77 3b7k s PRO 238 N -2.30 3.67 0.34 2.90 0.04 -1.26 -4.83 135.00 133.56 3b7k s PRO 238 Ca 0.14 1.38 0.09 0.00 0.04 0.00 0.00 61.00 62.65 3b7k s PRO 238 Cb -0.09 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3b7k s PRO 238 CO 0.07 -0.55 0.04 0.45 0.04 0.00 0.00 177.00 177.05 3b7k s SER 239 N -2.06 4.26 0.01 6.66 0.15 -1.26 -5.07 113.70 116.38 3b7k s SER 239 Ca 0.68 -0.97 -0.18 0.00 0.70 0.00 0.00 55.95 56.18 3b7k s SER 239 Cb -0.17 -0.56 0.03 0.00 -1.71 0.00 0.00 66.02 63.61 3b7k s SER 239 CO 0.23 -0.26 0.38 0.28 1.20 0.00 0.00 173.24 175.07 3b7k s THR 240 N -2.51 0.05 -0.16 6.45 -1.32 -1.26 -2.44 115.64 114.45 3b7k s THR 240 Ca 0.35 -0.44 -0.38 0.00 -1.21 0.00 0.00 61.69 60.02 3b7k s THR 240 Cb -0.00 -0.80 -0.14 0.00 -1.51 0.00 0.00 72.50 70.04 3b7k s THR 240 CO 0.20 -0.24 1.75 0.52 -2.21 0.00 0.00 174.62 174.63 3b7k n VAL 241 N 0.91 0.35 0.00 5.08 0.31 -0.52 -1.73 118.33 122.74 3b7k n VAL 241 Ca -0.20 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3b7k n VAL 241 Cb 0.58 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 3b7k n VAL 241 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3b7k n GLY 242 N 4.08 1.56 3.73 2.92 0.00 -0.82 -5.04 105.19 111.63 3b7k n GLY 242 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3b7k n GLY 242 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3b7k s ASP 243 N -1.88 4.28 -0.17 1.61 1.01 -0.70 -4.54 116.67 116.27 3b7k s ASP 243 Ca 0.00 2.14 -0.06 0.00 0.71 0.00 0.00 52.55 55.34 3b7k s ASP 243 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 3b7k s ASP 243 CO 0.00 -2.20 0.03 -0.13 0.21 0.00 0.00 175.17 173.08 3b7k s ARG 244 N -4.26 3.88 -0.26 8.23 3.00 -0.63 -0.79 118.95 128.12 3b7k s ARG 244 Ca 0.69 -0.40 -0.08 0.00 0.00 0.00 0.00 55.73 55.93 3b7k s ARG 244 Cb -0.24 -3.11 -0.03 0.00 0.00 0.00 0.00 34.95 31.57 3b7k s ARG 244 CO 0.48 0.26 0.11 -0.51 0.00 0.00 0.00 175.30 175.64 3b7k s LEU 245 N 0.36 3.63 -0.17 2.53 1.43 -0.19 -1.09 118.68 125.18 3b7k s LEU 245 Ca 0.01 -0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 3b7k s LEU 245 Cb -0.13 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3b7k s LEU 245 CO 0.01 -0.04 0.38 -0.69 0.23 0.00 0.00 176.35 176.23 3b7k s VAL 246 N 1.66 5.23 -0.17 -1.59 1.01 0.20 -1.69 120.40 125.06 3b7k s VAL 246 Ca 0.07 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.73 3b7k s VAL 246 Cb -0.15 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 3b7k s VAL 246 CO 0.06 0.31 -0.12 -0.36 0.00 0.00 0.00 175.10 174.99 3b7k s PHE 247 N 0.92 2.85 -0.02 5.22 0.40 0.72 -1.83 117.98 126.24 3b7k s PHE 247 Ca 0.19 -0.97 0.07 0.00 -0.60 0.00 0.00 56.93 55.62 3b7k s PHE 247 Cb -0.14 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.42 3b7k s PHE 247 CO 0.07 -0.47 -0.23 0.95 0.70 0.00 0.00 175.22 176.24 3b7k s THR 248 N 0.95 1.82 -0.01 0.64 -4.23 -1.14 -0.24 115.64 113.44 3b7k s THR 248 Ca -0.02 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 3b7k s THR 248 Cb -0.15 -1.51 -0.00 0.00 1.34 0.00 0.00 72.50 72.18 3b7k s THR 248 CO -0.01 0.51 -0.04 0.00 -0.54 0.00 0.00 174.62 174.55 3b7k s ALA 249 N -0.53 0.34 0.08 3.99 0.00 -0.79 -0.44 121.76 124.41 3b7k s ALA 249 Ca 0.08 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.94 3b7k s ALA 249 Cb -0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3b7k s ALA 249 CO -0.01 0.07 -0.12 0.96 0.00 0.00 0.00 175.76 176.67 3b7k s ILE 250 N 0.02 0.95 0.10 0.00 -4.36 -0.80 -1.63 121.20 115.49 3b7k s ILE 250 Ca 0.00 -1.39 -0.31 0.00 -0.26 0.00 0.00 60.65 58.69 3b7k s ILE 250 Cb -0.03 -1.09 -0.08 0.00 1.25 0.00 0.00 42.46 42.51 3b7k s ILE 250 CO -0.00 -0.38 1.42 -0.69 0.24 0.00 0.00 174.94 175.53 3b7k s VAL 251 N -1.72 3.30 -0.14 8.37 1.01 -1.25 -1.24 120.40 128.73 3b7k s VAL 251 Ca -0.01 0.90 -0.15 0.00 0.00 0.00 0.00 61.98 62.73 3b7k s VAL 251 Cb -0.07 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3b7k s VAL 251 CO 0.01 0.06 -0.29 -3.20 0.00 0.00 0.00 175.10 171.68 3b7k n ASN 252 N 4.21 1.64 -3.85 3.32 2.85 0.17 -4.89 115.26 118.72 3b7k n ASN 252 Ca 0.12 0.28 -0.12 0.00 -0.11 0.00 0.00 54.58 54.74 3b7k n ASN 252 Cb 0.42 -0.68 -0.14 0.00 1.24 0.00 0.00 39.78 40.62 3b7k n ASN 252 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3b7k s ASN 253 N -5.67 -0.00 -0.41 1.20 2.47 -1.21 -5.01 114.94 106.31 3b7k s ASN 253 Ca -0.24 0.03 0.02 0.00 0.42 0.00 0.00 52.86 53.10 3b7k s ASN 253 Cb 0.03 0.02 0.12 0.00 -1.45 0.00 0.00 41.25 39.97 3b7k s ASN 253 CO 0.35 -0.03 0.19 -0.89 -3.72 0.00 0.00 177.10 173.00 3b7k s THR 254 N 0.18 1.51 -0.48 -5.21 2.01 -1.26 -0.48 115.64 111.90 3b7k s THR 254 Ca -0.01 -2.36 -0.23 0.00 0.31 0.00 0.00 61.69 59.40 3b7k s THR 254 Cb -0.02 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.44 3b7k s THR 254 CO -0.01 -0.80 0.80 0.12 -0.69 0.00 0.00 174.62 174.04 3b7k s PHE 255 N 0.62 2.95 0.46 4.92 5.36 -1.17 -4.99 117.98 126.14 3b7k s PHE 255 Ca 0.15 0.05 -0.21 0.00 -0.96 0.00 0.00 56.93 55.96 3b7k s PHE 255 Cb -0.23 -3.74 -0.12 0.00 -0.34 0.00 0.00 43.02 38.60 3b7k s PHE 255 CO -0.06 -1.07 0.53 0.94 -1.46 0.00 0.00 175.22 174.09 3b7k n GLN 256 N 6.82 0.57 -0.67 10.12 -0.06 -1.26 -1.90 117.38 131.00 3b7k n GLN 256 Ca 0.01 0.21 0.00 0.00 -2.00 0.00 0.00 57.00 55.22 3b7k n GLN 256 Cb 0.48 -1.55 0.00 0.00 -4.06 0.00 0.00 30.24 25.10 3b7k n GLN 256 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3b7k n THR 257 N -1.08 0.00 -3.82 1.69 -2.24 -1.26 -5.01 114.28 102.56 3b7k n THR 257 Ca 0.11 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.76 3b7k n THR 257 Cb 0.42 -0.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.46 3b7k n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b7k s VAL 259 N 0.49 0.86 0.04 0.00 0.11 -1.12 -3.06 120.40 117.72 3b7k s VAL 259 Ca -0.04 -0.75 -0.28 0.00 -2.93 0.00 0.00 61.98 57.99 3b7k s VAL 259 Cb -0.06 -1.27 -0.05 0.00 -1.53 0.00 0.00 36.38 33.48 3b7k s VAL 259 CO -0.02 -0.15 0.87 -0.70 -3.33 0.00 0.00 175.10 171.78 3b7k s GLU 260 N 1.71 4.57 -0.09 1.54 2.12 0.36 -2.27 118.70 126.63 3b7k s GLU 260 Ca -0.02 1.25 -0.01 0.00 0.36 0.00 0.00 54.97 56.55 3b7k s GLU 260 Cb -0.17 -3.40 0.03 0.00 0.26 0.00 0.00 34.13 30.84 3b7k s GLU 260 CO -0.07 0.16 -0.05 0.54 -0.54 0.00 0.00 175.26 175.29 3b7k s VAL 261 N 0.32 0.81 0.09 3.70 0.11 0.54 0.43 120.40 126.40 3b7k s VAL 261 Ca 0.44 -0.16 -0.19 0.00 -2.93 0.00 0.00 61.98 59.14 3b7k s VAL 261 Cb -0.21 -0.86 -0.07 0.00 -1.53 0.00 0.00 36.38 33.71 3b7k s VAL 261 CO 0.26 0.33 0.59 -0.83 -3.33 0.00 0.00 175.10 172.11 3b7k s GLY 262 N 1.70 2.67 -0.06 6.54 0.00 -0.37 -0.47 107.32 117.33 3b7k s GLY 262 Ca 0.03 0.05 0.06 0.00 0.00 0.00 0.00 44.72 44.86 3b7k s GLY 262 CO -0.06 0.47 -0.25 0.14 0.00 0.00 0.00 173.10 173.40 3b7k s VAL 263 N -1.15 2.04 0.00 1.40 1.01 0.16 -1.90 120.40 121.97 3b7k s VAL 263 Ca 0.30 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3b7k s VAL 263 Cb -0.19 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3b7k s VAL 263 CO 0.20 0.57 0.16 -0.60 0.00 0.00 0.00 175.10 175.42 3b7k s ARG 264 N -0.15 3.32 -0.12 2.72 3.52 0.42 -1.13 118.95 127.52 3b7k s ARG 264 Ca -0.04 -0.39 -0.01 0.00 -0.13 0.00 0.00 55.73 55.16 3b7k s ARG 264 Cb -0.14 -3.02 0.04 0.00 -1.56 0.00 0.00 34.95 30.27 3b7k s ARG 264 CO 0.04 0.66 -0.02 0.08 -0.81 0.00 0.00 175.30 175.25 3b7k s VAL 265 N -1.31 0.69 -0.11 7.11 1.01 -0.35 -2.90 120.40 124.53 3b7k s VAL 265 Ca 0.27 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3b7k s VAL 265 Cb -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.39 3b7k s VAL 265 CO 0.18 0.17 -0.13 -0.70 0.00 0.00 0.00 175.10 174.63 3b7k s GLU 266 N 1.83 2.03 -0.06 2.72 2.12 -0.76 -0.86 118.70 125.73 3b7k s GLU 266 Ca 0.03 -0.48 -0.02 0.00 0.36 0.00 0.00 54.97 54.86 3b7k s GLU 266 Cb -0.14 -1.82 -0.04 0.00 0.26 0.00 0.00 34.13 32.40 3b7k s GLU 266 CO -0.07 -0.13 0.03 0.00 -0.54 0.00 0.00 175.26 174.55 3b7k s ALA 267 N 1.21 3.42 -0.04 6.30 0.00 -0.44 -0.63 121.76 131.57 3b7k s ALA 267 Ca -0.03 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3b7k s ALA 267 Cb -0.14 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.45 3b7k s ALA 267 CO -0.04 0.62 -0.10 -0.06 0.00 0.00 0.00 175.76 176.17 3b7k s PHE 268 N -0.99 1.17 1.38 0.00 0.40 -0.25 -1.75 117.98 117.94 3b7k s PHE 268 Ca 0.16 -0.36 -0.21 0.00 -0.60 0.00 0.00 56.93 55.93 3b7k s PHE 268 Cb -0.12 -0.86 0.35 0.00 0.51 0.00 0.00 43.02 42.91 3b7k s PHE 268 CO 0.06 -0.18 0.94 -0.51 0.70 0.00 0.00 175.22 176.23 3b7k s ASP 269 N 0.45 -0.72 0.13 1.36 1.01 -1.26 -1.60 116.67 116.03 3b7k s ASP 269 Ca -0.08 1.03 -0.12 0.00 0.71 0.00 0.00 52.55 54.08 3b7k s ASP 269 Cb -0.12 -1.51 -0.06 0.00 1.01 0.00 0.00 42.92 42.24 3b7k s ASP 269 CO 0.02 -5.18 1.45 0.00 0.21 0.00 0.00 175.17 171.66 3b7k h GLN 271 N 0.65 0.58 -0.78 0.00 4.20 -1.98 -3.17 115.11 114.62 3b7k h GLN 271 Ca 0.05 -0.55 0.15 0.00 0.06 0.00 0.00 58.65 58.36 3b7k h GLN 271 Cb 0.96 0.14 -0.10 0.00 0.30 0.00 0.00 27.48 28.78 3b7k h GLN 271 CO 0.09 1.17 0.33 0.93 -0.67 0.00 0.00 178.83 180.68 3b7k h GLU 272 N 0.20 0.45 -0.55 1.46 5.08 -1.85 -2.16 114.58 117.22 3b7k h GLU 272 Ca -0.07 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.37 3b7k h GLU 272 Cb 1.37 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.42 3b7k h GLU 272 CO 0.14 0.30 -0.13 2.35 -1.00 0.00 0.00 179.01 180.67 3b7k h TRP 273 N 0.47 -0.28 0.00 4.33 -0.00 -1.31 -0.21 115.95 118.95 3b7k h TRP 273 Ca 0.43 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 59.37 3b7k h TRP 273 Cb 0.66 0.21 0.00 0.00 -0.00 0.00 0.00 29.16 30.03 3b7k h TRP 273 CO -0.15 -0.23 0.00 0.00 -0.00 0.00 0.00 178.44 178.05 3b7k n ALA 274 N -2.92 2.05 -0.09 2.65 0.00 -0.83 -3.68 120.51 117.67 3b7k n ALA 274 Ca 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 3b7k n ALA 274 Cb 0.29 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 18.17 3b7k n ALA 274 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3b7k n GLU 275 N -2.21 1.12 0.00 0.00 1.02 -0.75 -5.04 120.64 114.77 3b7k n GLU 275 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3b7k n GLU 275 Cb 0.35 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3b7k n GLU 275 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b7k n GLY 276 N 1.97 3.10 3.66 0.62 0.00 -0.16 -5.07 105.19 109.30 3b7k n GLY 276 Ca -0.29 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 3b7k n GLY 276 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3b7k s ARG 277 N 0.00 4.14 0.42 1.61 1.04 -1.25 -4.95 118.95 119.96 3b7k s ARG 277 Ca 0.00 2.18 0.04 0.00 -1.04 0.00 0.00 55.73 56.91 3b7k s ARG 277 Cb 0.00 -4.00 -0.01 0.00 -2.04 0.00 0.00 34.95 28.89 3b7k s ARG 277 CO 0.00 -0.89 0.14 0.41 -0.04 0.00 0.00 175.30 174.91 3b7k n GLY 278 N 4.20 3.26 3.45 3.88 0.00 -1.26 -4.64 105.19 114.08 3b7k n GLY 278 Ca 0.18 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 3b7k n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b7k s ARG 279 N -3.57 2.93 -0.46 1.61 0.52 -0.72 -4.95 118.95 114.32 3b7k s ARG 279 Ca 0.19 -0.66 -0.28 0.00 -0.52 0.00 0.00 55.73 54.46 3b7k s ARG 279 Cb 0.01 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 32.96 3b7k s ARG 279 CO 0.14 0.46 1.42 -1.58 0.02 0.00 0.00 175.30 175.75 3b7k s HIS 280 N -0.28 2.36 -0.13 -0.53 5.65 -1.26 -1.33 115.29 119.77 3b7k s HIS 280 Ca 0.02 0.62 -0.14 0.00 0.25 0.00 0.00 55.06 55.82 3b7k s HIS 280 Cb -0.13 -4.33 -0.12 0.00 -1.18 0.00 0.00 32.58 26.82 3b7k s HIS 280 CO 0.03 -1.98 0.28 0.82 -0.65 0.00 0.00 174.74 173.24 3b7k h ILE 281 N 6.45 0.74 -2.00 0.89 1.08 -1.32 -3.33 117.51 120.03 3b7k h ILE 281 Ca -0.27 -1.60 0.02 0.00 -0.39 0.00 0.00 64.86 62.62 3b7k h ILE 281 Cb 1.10 1.45 -0.19 0.00 -3.07 0.00 0.00 36.82 36.11 3b7k h ILE 281 CO 1.11 0.25 0.37 0.54 -0.69 0.00 0.00 178.15 179.73 3b7k s ASN 282 N -5.94 -0.50 -0.12 1.72 4.22 -1.21 -0.33 114.94 112.78 3b7k s ASN 282 Ca -0.11 0.41 0.00 0.00 -2.14 0.00 0.00 52.86 51.02 3b7k s ASN 282 Cb -0.00 0.44 0.02 0.00 1.28 0.00 0.00 41.25 42.99 3b7k s ASN 282 CO 0.33 -0.56 -0.12 -0.44 -2.04 0.00 0.00 177.10 174.28 3b7k s SER 283 N -1.55 2.37 0.25 3.54 0.01 -1.26 -1.21 113.70 115.85 3b7k s SER 283 Ca -0.04 -0.39 0.12 0.00 1.31 0.00 0.00 55.95 56.95 3b7k s SER 283 Cb -0.00 -1.00 -0.05 0.00 0.21 0.00 0.00 66.02 65.18 3b7k s SER 283 CO 0.01 -0.06 -0.20 0.00 0.41 0.00 0.00 173.24 173.40 3b7k s ALA 284 N 1.44 2.71 -0.18 1.44 0.00 -0.29 -4.84 121.76 122.04 3b7k s ALA 284 Ca 0.02 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.20 3b7k s ALA 284 Cb -0.13 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.68 3b7k s ALA 284 CO -0.07 0.33 -0.17 -0.06 0.00 0.00 0.00 175.76 175.79 3b7k s PHE 285 N -2.21 2.79 -0.11 0.00 0.08 -1.26 0.39 117.98 117.66 3b7k s PHE 285 Ca 0.27 -1.40 -0.00 0.00 0.12 0.00 0.00 56.93 55.92 3b7k s PHE 285 Cb -0.06 -1.93 -0.02 0.00 -0.57 0.00 0.00 43.02 40.44 3b7k s PHE 285 CO 0.14 -0.69 -0.10 -0.51 -0.10 0.00 0.00 175.22 173.96 3b7k s LEU 286 N 1.18 2.95 -0.30 -0.37 1.43 0.37 -1.84 118.68 122.09 3b7k s LEU 286 Ca 0.02 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 3b7k s LEU 286 Cb -0.14 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 3b7k s LEU 286 CO -0.08 0.24 0.18 -0.63 0.23 0.00 0.00 176.35 176.29 3b7k s ILE 287 N -0.09 4.96 0.42 -0.59 1.01 -0.42 -0.33 121.20 126.16 3b7k s ILE 287 Ca -0.00 -0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.55 3b7k s ILE 287 Cb -0.14 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 3b7k s ILE 287 CO 0.03 0.12 0.47 -0.31 0.00 0.00 0.00 174.94 175.25 3b7k s TYR 288 N 1.68 2.75 -0.04 3.97 1.51 -0.96 -1.34 117.35 124.93 3b7k s TYR 288 Ca 0.06 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 3b7k s TYR 288 Cb -0.17 -2.27 0.03 0.00 -0.11 0.00 0.00 41.96 39.44 3b7k s TYR 288 CO 0.08 -0.26 0.04 1.21 -1.11 0.00 0.00 175.55 175.51 3b7k s ASN 289 N -4.23 1.04 0.00 2.29 3.84 -0.13 -2.80 114.94 114.95 3b7k s ASN 289 Ca 0.51 0.03 0.29 0.00 0.21 0.00 0.00 52.86 53.91 3b7k s ASN 289 Cb -0.06 -0.20 1.75 0.00 -0.55 0.00 0.00 41.25 42.18 3b7k s ASN 289 CO 0.30 -0.21 2.08 0.00 -2.79 0.00 0.00 177.10 176.48