#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bgr s VAL 0 N 0.00 5.02 0.28 1.12 1.01 -1.26 -5.03 120.40 121.54 3bgr s VAL 0 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 3bgr s VAL 0 Cb 0.00 -3.96 -0.12 0.00 0.00 0.00 0.00 36.38 32.29 3bgr s VAL 0 CO 0.00 -0.22 1.48 -2.65 0.00 0.00 0.00 175.10 173.71 3bgr n PRO 1 N 5.73 2.35 -5.19 2.72 -0.02 -1.26 -4.99 135.00 134.35 3bgr n PRO 1 Ca -0.05 0.84 -0.30 0.00 -2.02 0.00 0.00 63.50 61.97 3bgr n PRO 1 Cb 0.49 -2.54 -0.16 0.00 -0.02 0.00 0.00 33.50 31.27 3bgr n PRO 1 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3bgr s ILE 2 N -0.16 1.99 0.31 4.25 -4.36 -1.26 -5.00 121.20 116.97 3bgr s ILE 2 Ca 0.65 -1.12 -0.29 0.00 -0.26 0.00 0.00 60.65 59.63 3bgr s ILE 2 Cb -0.57 -1.66 -0.10 0.00 1.25 0.00 0.00 42.46 41.38 3bgr s ILE 2 CO 0.51 0.52 1.30 -0.44 0.24 0.00 0.00 174.94 177.07 3bgr s SER 3 N -0.69 6.83 0.41 4.36 0.01 -0.34 -4.98 113.70 119.29 3bgr s SER 3 Ca 0.10 2.61 -0.13 0.00 1.31 0.00 0.00 55.95 59.84 3bgr s SER 3 Cb -0.10 -2.64 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 3bgr s SER 3 CO -0.00 -0.51 0.81 -2.16 0.41 0.00 0.00 173.24 171.79 3bgr s PRO 4 N -1.46 3.90 -0.34 12.44 0.04 -1.26 -4.56 135.00 143.76 3bgr s PRO 4 Ca 0.50 0.66 -0.22 0.00 0.04 0.00 0.00 61.00 61.97 3bgr s PRO 4 Cb -0.39 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3bgr s PRO 4 CO 0.49 -0.03 0.73 0.42 0.04 0.00 0.00 177.00 178.66 3bgr s ILE 5 N -2.31 4.81 0.26 0.56 1.01 -1.26 -5.00 121.20 119.27 3bgr s ILE 5 Ca 0.54 0.89 -0.30 0.00 0.00 0.00 0.00 60.65 61.78 3bgr s ILE 5 Cb -0.10 -4.14 -0.14 0.00 0.01 0.00 0.00 42.46 38.09 3bgr s ILE 5 CO 0.26 -0.33 1.16 -1.84 0.00 0.00 0.00 174.94 174.20 3bgr n GLU 6 N 6.22 1.55 -2.87 2.79 0.00 -1.26 -4.70 120.64 122.37 3bgr n GLU 6 Ca 0.02 0.55 -0.27 0.00 0.00 0.00 0.00 57.16 57.46 3bgr n GLU 6 Cb 0.48 -2.03 -0.01 0.00 0.00 0.00 0.00 31.44 29.89 3bgr n GLU 6 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 3bgr s THR 7 N -0.65 4.96 -0.24 3.84 -4.23 -1.26 -4.93 115.64 113.12 3bgr s THR 7 Ca 0.64 0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 61.10 3bgr s THR 7 Cb -0.71 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.24 3bgr s THR 7 CO 0.56 -0.74 0.08 -0.69 -0.54 0.00 0.00 174.62 173.29 3bgr s VAL 8 N -2.59 4.47 -0.15 2.29 1.01 -1.26 -5.01 120.40 119.16 3bgr s VAL 8 Ca 0.45 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 3bgr s VAL 8 Cb -0.10 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 3bgr s VAL 8 CO 0.41 0.35 1.97 -2.16 0.00 0.00 0.00 175.10 175.68 3bgr s PRO 9 N 1.40 3.60 0.04 2.72 0.04 -1.26 -4.37 135.00 137.17 3bgr s PRO 9 Ca 0.05 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.21 3bgr s PRO 9 Cb -0.15 -4.22 -0.04 0.00 0.04 0.00 0.00 34.50 30.14 3bgr s PRO 9 CO 0.04 -1.55 -0.03 0.08 0.04 0.00 0.00 177.00 175.58 3bgr s VAL 10 N 6.33 3.91 0.06 -0.36 1.01 -1.26 -5.12 120.40 124.97 3bgr s VAL 10 Ca 0.89 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3bgr s VAL 10 Cb -0.33 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3bgr s VAL 10 CO 0.35 0.27 -0.04 -0.54 0.00 0.00 0.00 175.10 175.14 3bgr s LYS 11 N -1.83 0.67 0.49 2.72 1.02 -1.26 -4.76 119.74 116.78 3bgr s LYS 11 Ca 0.21 -1.21 -0.06 0.00 0.02 0.00 0.00 55.97 54.93 3bgr s LYS 11 Cb -0.11 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 3bgr s LYS 11 CO 0.13 -0.07 0.80 -0.51 -0.92 0.00 0.00 175.35 174.78 3bgr s LEU 12 N -2.84 3.61 0.84 3.17 1.43 -1.26 -2.63 118.68 121.01 3bgr s LEU 12 Ca 0.07 0.97 -0.14 0.00 -1.03 0.00 0.00 54.13 54.00 3bgr s LEU 12 Cb 0.05 -3.93 0.03 0.00 0.03 0.00 0.00 46.19 42.38 3bgr s LEU 12 CO -0.07 -0.59 0.68 0.29 0.23 0.00 0.00 176.35 176.89 3bgr n LYS 13 N -2.25 -0.00 -1.74 1.70 5.02 -0.94 -4.64 118.16 115.30 3bgr n LYS 13 Ca 0.01 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 3bgr n LYS 13 Cb 0.55 -2.02 -0.02 0.00 -0.02 0.00 0.00 35.03 33.52 3bgr n LYS 13 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3bgr s PRO 14 N -3.54 4.11 0.00 1.97 0.02 -1.26 -3.15 135.00 133.14 3bgr s PRO 14 Ca 0.64 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.27 3bgr s PRO 14 Cb -0.27 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3bgr s PRO 14 CO 0.60 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.98 3bgr n GLY 15 N 3.01 2.03 3.62 0.52 0.00 -1.26 -4.99 105.19 108.12 3bgr n GLY 15 Ca 0.12 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 3bgr n GLY 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3bgr n MET 16 N 0.00 -0.39 -4.51 1.61 2.81 -1.19 -5.05 117.12 110.40 3bgr n MET 16 Ca 0.00 -0.05 -0.24 0.00 -1.81 0.00 0.00 57.70 55.60 3bgr n MET 16 Cb 0.00 -2.28 -0.10 0.00 -0.71 0.00 0.00 33.22 30.13 3bgr n MET 16 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3bgr s ASP 17 N -2.48 2.80 1.18 7.83 3.68 -1.26 -4.77 116.67 123.66 3bgr s ASP 17 Ca 0.65 -1.42 -0.16 0.00 2.13 0.00 0.00 52.55 53.75 3bgr s ASP 17 Cb -0.23 -0.07 0.22 0.00 -1.45 0.00 0.00 42.92 41.39 3bgr s ASP 17 CO 0.59 -0.62 0.52 0.61 0.13 0.00 0.00 175.17 176.41 3bgr n GLY 18 N -0.79 -2.46 3.83 2.66 0.00 -1.26 -4.95 105.19 102.21 3bgr n GLY 18 Ca -0.04 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 3bgr n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bgr s PRO 19 N -3.97 3.70 -0.43 1.61 0.04 -1.26 -5.00 135.00 129.69 3bgr s PRO 19 Ca 0.62 1.02 0.07 0.00 0.04 0.00 0.00 61.00 62.75 3bgr s PRO 19 Cb -0.18 -2.10 0.22 0.00 0.04 0.00 0.00 34.50 32.49 3bgr s PRO 19 CO 0.64 -0.48 0.59 1.63 0.04 0.00 0.00 177.00 179.42 3bgr n LYS 20 N -1.83 0.59 -4.39 4.56 5.02 -1.25 -1.94 118.16 118.92 3bgr n LYS 20 Ca 0.07 -2.71 -0.35 0.00 -2.02 0.00 0.00 58.31 53.31 3bgr n LYS 20 Cb 0.54 -1.41 -0.10 0.00 -0.02 0.00 0.00 35.03 34.04 3bgr n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bgr s VAL 21 N -0.21 4.21 0.06 -0.18 1.01 -0.76 -4.91 120.40 119.62 3bgr s VAL 21 Ca 0.33 -0.28 -0.32 0.00 0.00 0.00 0.00 61.98 61.72 3bgr s VAL 21 Cb 0.13 -2.78 -0.11 0.00 0.00 0.00 0.00 36.38 33.63 3bgr s VAL 21 CO -0.16 0.58 1.88 0.29 0.00 0.00 0.00 175.10 177.70 3bgr n LYS 22 N 2.40 2.67 -2.55 2.72 5.02 -1.26 -4.43 118.16 122.73 3bgr n LYS 22 Ca -0.18 0.97 -0.42 0.00 -2.02 0.00 0.00 58.31 56.66 3bgr n LYS 22 Cb 0.53 -2.87 -0.03 0.00 -0.02 0.00 0.00 35.03 32.64 3bgr n LYS 22 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3bgr s GLN 23 N 3.44 4.42 0.43 1.97 2.00 -1.26 -4.70 119.66 125.96 3bgr s GLN 23 Ca 0.86 1.58 -0.16 0.00 -2.00 0.00 0.00 55.36 55.65 3bgr s GLN 23 Cb -0.52 -3.49 -0.08 0.00 0.80 0.00 0.00 33.01 29.72 3bgr s GLN 23 CO 0.42 -0.30 0.87 -1.58 -0.50 0.00 0.00 175.29 174.20 3bgr s TRP 24 N 1.70 3.41 0.10 1.67 0.23 -1.26 -5.00 118.94 119.78 3bgr s TRP 24 Ca 0.54 1.34 -0.31 0.00 -2.03 0.00 0.00 56.10 55.64 3bgr s TRP 24 Cb -0.24 -2.66 -0.10 0.00 0.03 0.00 0.00 33.47 30.51 3bgr s TRP 24 CO 0.24 -0.16 1.83 -1.25 0.96 0.00 0.00 176.95 178.57 3bgr s PRO 25 N -3.62 4.15 0.58 4.98 0.04 -1.26 -4.92 135.00 134.96 3bgr s PRO 25 Ca 0.57 2.56 0.08 0.00 0.04 0.00 0.00 61.00 64.24 3bgr s PRO 25 Cb -0.10 -3.70 0.08 0.00 0.04 0.00 0.00 34.50 30.82 3bgr s PRO 25 CO 0.25 -0.85 0.65 -0.51 0.04 0.00 0.00 177.00 176.57 3bgr s LEU 26 N 3.05 2.83 0.18 -3.56 1.43 -1.26 -5.13 118.68 116.23 3bgr s LEU 26 Ca 0.81 -1.09 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3bgr s LEU 26 Cb -0.44 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3bgr s LEU 26 CO 0.37 -1.32 0.34 0.42 0.23 0.00 0.00 176.35 176.39 3bgr s THR 27 N -2.76 5.26 0.20 5.49 -4.23 -1.26 -4.98 115.64 113.37 3bgr s THR 27 Ca 0.49 -0.57 -0.11 0.00 -1.18 0.00 0.00 61.69 60.32 3bgr s THR 27 Cb -0.04 -3.75 0.15 0.00 1.34 0.00 0.00 72.50 70.19 3bgr s THR 27 CO 0.31 -0.16 1.70 -0.08 -0.54 0.00 0.00 174.62 175.86 3bgr h GLU 28 N 1.96 0.23 -0.08 3.99 4.81 -2.00 -1.41 114.58 122.08 3bgr h GLU 28 Ca -0.49 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.65 3bgr h GLU 28 Cb 1.20 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3bgr h GLU 28 CO 0.68 0.15 -0.35 1.05 -0.73 0.00 0.00 179.01 179.81 3bgr h GLU 29 N 0.23 0.15 -0.36 1.92 4.11 -1.99 -2.36 114.58 116.28 3bgr h GLU 29 Ca 0.29 -0.06 -0.13 0.00 0.07 0.00 0.00 59.36 59.53 3bgr h GLU 29 Cb 0.42 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3bgr h GLU 29 CO -0.39 0.48 -0.27 0.87 0.07 0.00 0.00 179.01 179.77 3bgr h LYS 30 N 0.13 0.82 0.10 1.06 1.57 -1.70 -1.23 116.57 117.32 3bgr h LYS 30 Ca 0.02 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3bgr h LYS 30 Cb 0.68 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3bgr h LYS 30 CO 0.05 1.04 -0.05 0.82 -0.57 0.00 0.00 179.45 180.74 3bgr h ILE 31 N 0.61 0.93 -0.58 1.86 2.04 -1.14 0.49 117.51 121.72 3bgr h ILE 31 Ca 0.07 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 65.95 3bgr h ILE 31 Cb 0.84 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3bgr h ILE 31 CO 0.07 0.02 0.39 0.11 0.00 0.00 0.00 178.15 178.74 3bgr h LYS 32 N -0.16 0.38 0.05 2.37 1.57 -1.41 0.73 116.57 120.10 3bgr h LYS 32 Ca -0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3bgr h LYS 32 Cb 0.13 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3bgr h LYS 32 CO 0.02 0.25 -0.03 0.00 -0.57 0.00 0.00 179.45 179.13 3bgr h ALA 33 N 1.71 -0.07 -0.66 3.86 0.00 0.12 -2.46 119.26 121.76 3bgr h ALA 33 Ca 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3bgr h ALA 33 Cb 0.53 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3bgr h ALA 33 CO -0.07 -0.35 0.28 -0.07 0.00 0.00 0.00 179.25 179.04 3bgr h LEU 34 N -0.46 0.90 -0.54 0.00 3.38 0.13 -1.94 115.31 116.79 3bgr h LEU 34 Ca -0.01 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3bgr h LEU 34 Cb 0.41 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3bgr h LEU 34 CO 0.01 0.82 0.23 0.58 0.09 0.00 0.00 178.44 180.17 3bgr h VAL 35 N 0.93 0.88 0.71 1.22 2.07 0.41 0.27 116.25 122.74 3bgr h VAL 35 Ca 0.22 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 3bgr h VAL 35 Cb 0.19 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3bgr h VAL 35 CO -0.02 0.08 -0.34 -0.08 0.02 0.00 0.00 177.57 177.23 3bgr h GLU 36 N 0.45 -0.92 -0.17 1.57 4.81 -1.15 -0.93 114.58 118.23 3bgr h GLU 36 Ca 0.25 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.59 3bgr h GLU 36 Cb 0.23 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 3bgr h GLU 36 CO -0.22 -0.60 -0.37 0.82 -0.73 0.00 0.00 179.01 177.91 3bgr h ILE 37 N -1.01 0.20 -0.42 2.32 2.04 -1.00 -2.01 117.51 117.64 3bgr h ILE 37 Ca -0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.77 3bgr h ILE 37 Cb 0.74 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3bgr h ILE 37 CO 0.16 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.59 3bgr h THR 39 N 0.56 1.23 -0.47 0.00 2.02 -0.48 -0.20 112.91 115.56 3bgr h THR 39 Ca 0.16 -0.75 -0.13 0.00 0.77 0.00 0.00 66.41 66.46 3bgr h THR 39 Cb -0.04 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3bgr h THR 39 CO -0.04 0.27 -0.21 -0.08 0.37 0.00 0.00 175.52 175.84 3bgr h GLU 40 N 0.66 0.95 -0.69 6.66 4.81 -0.71 -1.50 114.58 124.76 3bgr h GLU 40 Ca 0.16 -0.40 -0.08 0.00 -0.13 0.00 0.00 59.36 58.91 3bgr h GLU 40 Cb 0.26 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3bgr h GLU 40 CO -0.01 1.07 0.13 0.52 -0.73 0.00 0.00 179.01 179.99 3bgr h MET 41 N 0.83 1.12 -0.60 1.92 2.86 -0.78 -2.52 114.93 117.76 3bgr h MET 41 Ca 0.11 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 3bgr h MET 41 Cb 0.77 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 3bgr h MET 41 CO 0.06 1.01 0.30 1.49 1.06 0.00 0.00 176.91 180.83 3bgr h GLU 42 N 1.06 0.85 -0.21 1.72 4.81 -0.81 -2.04 114.58 119.96 3bgr h GLU 42 Ca 0.21 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3bgr h GLU 42 Cb 0.42 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3bgr h GLU 42 CO 0.01 0.68 0.13 0.87 -0.73 0.00 0.00 179.01 179.97 3bgr h LYS 43 N 0.81 0.27 0.00 1.92 1.57 -1.00 -1.50 116.57 118.65 3bgr h LYS 43 Ca 0.21 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3bgr h LYS 43 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3bgr h LYS 43 CO -0.03 0.19 -0.22 0.39 -0.57 0.00 0.00 179.45 179.21 3bgr n GLU 44 N -4.50 0.15 0.00 3.15 1.02 -0.82 -4.94 120.64 114.70 3bgr n GLU 44 Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3bgr n GLU 44 Cb 0.08 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 3bgr n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bgr n GLY 45 N 1.40 0.12 0.37 0.62 0.00 -0.56 -4.98 105.19 102.17 3bgr n GLY 45 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 3bgr n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bgr h LYS 46 N 3.84 1.27 -5.01 1.61 1.57 -1.67 -3.42 116.57 114.76 3bgr h LYS 46 Ca 0.00 -0.08 -0.43 0.00 -1.87 0.00 0.00 60.65 58.27 3bgr h LYS 46 Cb 0.00 -0.29 -0.14 0.00 0.08 0.00 0.00 32.23 31.88 3bgr h LYS 46 CO 0.00 0.84 -0.59 0.96 -0.57 0.00 0.00 179.45 180.09 3bgr s ILE 47 N -6.11 0.70 -0.16 1.86 -4.36 -1.25 -0.65 121.20 111.23 3bgr s ILE 47 Ca -0.13 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.14 3bgr s ILE 47 Cb 0.18 -2.61 0.05 0.00 1.25 0.00 0.00 42.46 41.33 3bgr s ILE 47 CO 0.82 0.00 0.42 -0.44 0.24 0.00 0.00 174.94 175.97 3bgr s SER 48 N -3.42 -0.48 0.34 4.36 0.01 -0.40 -4.43 113.70 109.68 3bgr s SER 48 Ca 0.35 0.87 -0.29 0.00 1.31 0.00 0.00 55.95 58.19 3bgr s SER 48 Cb 0.07 0.82 -0.11 0.00 0.21 0.00 0.00 66.02 67.00 3bgr s SER 48 CO 0.15 -0.17 1.47 -0.54 0.41 0.00 0.00 173.24 174.56 3bgr s LYS 49 N 0.80 4.17 0.27 12.44 1.02 -1.26 -1.33 119.74 135.86 3bgr s LYS 49 Ca -0.05 2.48 0.11 0.00 0.02 0.00 0.00 55.97 58.53 3bgr s LYS 49 Cb -0.06 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 3bgr s LYS 49 CO -0.06 -0.48 -0.18 0.96 -0.92 0.00 0.00 175.35 174.67 3bgr s ILE 50 N -0.81 2.33 0.93 2.17 -4.36 0.10 -4.89 121.20 116.66 3bgr s ILE 50 Ca 0.55 -2.36 -0.16 0.00 -0.26 0.00 0.00 60.65 58.42 3bgr s ILE 50 Cb -0.45 -2.29 0.23 0.00 1.25 0.00 0.00 42.46 41.20 3bgr s ILE 50 CO 0.57 -0.41 0.85 0.61 0.24 0.00 0.00 174.94 176.80 3bgr n GLY 51 N -0.59 -2.60 0.15 6.27 0.00 -1.26 -4.59 105.19 102.57 3bgr n GLY 51 Ca -0.05 -1.50 0.15 0.00 0.00 0.00 0.00 46.02 44.61 3bgr n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bgr n PRO 52 N -4.00 0.96 0.28 1.61 -0.04 -1.26 -4.22 135.00 128.34 3bgr n PRO 52 Ca 0.12 -0.30 -0.11 0.00 -0.04 0.00 0.00 63.50 63.16 3bgr n PRO 52 Cb 0.45 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 3bgr n PRO 52 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3bgr h GLU 53 N 0.74 -0.70 -5.95 0.54 3.07 -2.04 -3.43 114.58 106.82 3bgr h GLU 53 Ca 0.00 0.05 -0.86 0.00 -0.50 0.00 0.00 59.36 58.04 3bgr h GLU 53 Cb 0.28 0.16 0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3bgr h GLU 53 CO 0.00 -0.46 0.63 -1.71 -1.40 0.00 0.00 179.01 176.07 3bgr n ASN 54 N -4.03 1.10 -1.30 1.42 2.85 -1.26 -4.85 115.26 109.18 3bgr n ASN 54 Ca -0.09 1.18 0.12 0.00 -0.11 0.00 0.00 54.58 55.67 3bgr n ASN 54 Cb 0.28 -0.88 0.31 0.00 1.24 0.00 0.00 39.78 40.74 3bgr n ASN 54 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3bgr n PRO 55 N 3.75 2.64 -3.48 1.20 -0.04 -1.26 -4.98 135.00 132.84 3bgr n PRO 55 Ca 0.30 -2.55 -0.28 0.00 -0.04 0.00 0.00 63.50 60.93 3bgr n PRO 55 Cb -0.05 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 3bgr n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3bgr s TYR 56 N -1.10 3.48 -0.22 0.54 2.02 -1.26 -4.83 117.35 115.98 3bgr s TYR 56 Ca 0.47 0.50 -0.24 0.00 -0.37 0.00 0.00 57.07 57.43 3bgr s TYR 56 Cb 0.25 -1.99 0.07 0.00 -0.40 0.00 0.00 41.96 39.88 3bgr s TYR 56 CO 0.33 0.25 0.67 1.21 -1.57 0.00 0.00 175.55 176.43 3bgr s ASN 57 N -3.24 -0.69 -0.07 2.29 2.47 -0.82 -4.68 114.94 110.21 3bgr s ASN 57 Ca 0.41 1.25 0.01 0.00 0.42 0.00 0.00 52.86 54.96 3bgr s ASN 57 Cb -0.11 1.25 0.02 0.00 -1.45 0.00 0.00 41.25 40.96 3bgr s ASN 57 CO 0.30 -0.29 -0.07 -0.89 -3.72 0.00 0.00 177.10 172.43 3bgr s THR 58 N 0.13 0.81 0.31 -5.21 2.01 -0.46 -1.84 115.64 111.39 3bgr s THR 58 Ca -0.02 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 3bgr s THR 58 Cb -0.04 -0.81 -0.11 0.00 0.01 0.00 0.00 72.50 71.54 3bgr s THR 58 CO 0.02 0.30 1.56 -2.16 -0.69 0.00 0.00 174.62 173.65 3bgr s PRO 59 N 1.13 4.13 0.13 4.92 0.04 -1.26 -4.32 135.00 139.77 3bgr s PRO 59 Ca -0.07 2.55 0.08 0.00 0.04 0.00 0.00 61.00 63.60 3bgr s PRO 59 Cb -0.14 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 3bgr s PRO 59 CO -0.01 -0.59 -0.12 0.54 0.04 0.00 0.00 177.00 176.85 3bgr s VAL 60 N -0.23 3.17 0.24 -0.36 0.11 -1.26 -0.83 120.40 121.25 3bgr s VAL 60 Ca 0.61 -1.43 0.01 0.00 -2.93 0.00 0.00 61.98 58.24 3bgr s VAL 60 Cb -0.47 -2.50 -0.05 0.00 -1.53 0.00 0.00 36.38 31.83 3bgr s VAL 60 CO 0.50 0.05 0.07 -0.36 -3.33 0.00 0.00 175.10 172.04 3bgr s PHE 61 N -1.31 1.47 -0.12 1.54 0.40 0.13 -4.85 117.98 115.25 3bgr s PHE 61 Ca 0.21 -1.14 0.01 0.00 -0.60 0.00 0.00 56.93 55.41 3bgr s PHE 61 Cb -0.10 -0.86 0.02 0.00 0.51 0.00 0.00 43.02 42.59 3bgr s PHE 61 CO 0.13 -0.30 -0.14 0.00 0.70 0.00 0.00 175.22 175.61 3bgr s ALA 62 N -3.72 1.71 -0.04 5.36 0.00 -1.26 -0.50 121.76 123.31 3bgr s ALA 62 Ca 0.35 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.57 3bgr s ALA 62 Cb 0.07 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.30 3bgr s ALA 62 CO 0.12 -0.18 -0.11 0.42 0.00 0.00 0.00 175.76 176.00 3bgr s ILE 63 N 1.17 0.96 -0.04 0.00 1.01 -0.35 -4.94 121.20 119.01 3bgr s ILE 63 Ca -0.03 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 59.95 3bgr s ILE 63 Cb -0.14 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 3bgr s ILE 63 CO -0.05 0.30 0.73 -0.75 0.00 0.00 0.00 174.94 175.17 3bgr s LYS 64 N 0.29 4.45 -1.08 2.79 2.20 -1.26 -0.63 119.74 126.49 3bgr s LYS 64 Ca -0.06 0.94 -0.17 0.00 -0.36 0.00 0.00 55.97 56.32 3bgr s LYS 64 Cb -0.11 -3.43 -0.07 0.00 -1.51 0.00 0.00 37.83 32.71 3bgr s LYS 64 CO 0.01 0.10 2.11 1.17 -0.36 0.00 0.00 175.35 178.39 3bgr n LYS 65 N 3.59 2.17 -3.54 4.03 4.81 -1.25 -4.42 118.16 123.56 3bgr n LYS 65 Ca -0.01 -2.11 -0.22 0.00 -0.87 0.00 0.00 58.31 55.10 3bgr n LYS 65 Cb 0.51 -3.01 0.05 0.00 0.02 0.00 0.00 35.03 32.61 3bgr n LYS 65 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3bgr n LYS 66 N 6.23 -3.28 -1.42 1.64 2.85 -1.26 -3.00 118.16 119.91 3bgr n LYS 66 Ca 0.52 0.66 -0.15 0.00 -1.05 0.00 0.00 58.31 58.30 3bgr n LYS 66 Cb 0.37 -5.13 -0.06 0.00 -0.65 0.00 0.00 35.03 29.55 3bgr n LYS 66 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3bgr n ASP 67 N -3.01 -4.90 -4.51 -5.58 10.43 -1.26 -5.01 116.55 102.70 3bgr n ASP 67 Ca -0.18 0.36 -0.29 0.00 2.57 0.00 0.00 54.79 57.25 3bgr n ASP 67 Cb 0.64 -3.68 0.14 0.00 1.84 0.00 0.00 41.12 40.05 3bgr n ASP 67 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3bgr s SER 68 N -2.78 3.84 0.00 -2.24 1.04 -1.16 -4.90 113.70 107.51 3bgr s SER 68 Ca 0.00 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.86 3bgr s SER 68 Cb 0.00 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.41 3bgr s SER 68 CO 0.00 -2.28 1.21 0.41 0.98 0.00 0.00 173.24 173.56 3bgr n THR 69 N -3.47 1.21 -3.96 2.02 -1.04 -1.26 -4.80 114.28 102.97 3bgr n THR 69 Ca 0.12 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.05 61.81 3bgr n THR 69 Cb 0.60 -1.18 -0.08 0.00 -1.82 0.00 0.00 70.33 67.86 3bgr n THR 69 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3bgr s LYS 70 N 0.39 1.02 0.13 -2.82 1.02 -1.26 -5.14 119.74 113.08 3bgr s LYS 70 Ca 0.00 -1.15 0.06 0.00 0.02 0.00 0.00 55.97 54.90 3bgr s LYS 70 Cb 0.00 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.61 3bgr s LYS 70 CO 0.00 -0.35 -0.13 -1.58 -0.92 0.00 0.00 175.35 172.37 3bgr s TRP 71 N -3.95 1.41 -0.00 3.18 0.52 -1.26 -3.84 118.94 115.00 3bgr s TRP 71 Ca 0.14 -0.59 0.02 0.00 0.02 0.00 0.00 56.10 55.70 3bgr s TRP 71 Cb 0.04 -0.72 -0.01 0.00 -1.15 0.00 0.00 33.47 31.63 3bgr s TRP 71 CO -0.03 0.15 -0.07 0.50 0.02 0.00 0.00 176.95 177.52 3bgr s ARG 72 N -2.91 0.59 0.05 4.98 3.52 0.19 -4.93 118.95 120.45 3bgr s ARG 72 Ca 0.11 -0.28 -0.22 0.00 -0.13 0.00 0.00 55.73 55.22 3bgr s ARG 72 Cb -0.03 -0.57 -0.06 0.00 -1.56 0.00 0.00 34.95 32.73 3bgr s ARG 72 CO 0.03 0.15 0.64 -1.59 -0.81 0.00 0.00 175.30 173.72 3bgr s LYS 73 N -0.22 4.35 -0.32 5.12 -2.85 -1.26 -1.21 119.74 123.34 3bgr s LYS 73 Ca 0.02 0.85 0.01 0.00 -1.00 0.00 0.00 55.97 55.85 3bgr s LYS 73 Cb -0.03 -3.30 0.10 0.00 -2.06 0.00 0.00 37.83 32.54 3bgr s LYS 73 CO -0.00 0.47 0.08 -1.17 0.10 0.00 0.00 175.35 174.83 3bgr s LEU 74 N -0.59 3.10 -0.39 2.77 2.96 0.34 -4.93 118.68 121.95 3bgr s LEU 74 Ca 0.32 -1.83 -0.22 0.00 -0.22 0.00 0.00 54.13 52.18 3bgr s LEU 74 Cb -0.20 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.38 3bgr s LEU 74 CO 0.20 -0.40 0.73 -0.69 -1.32 0.00 0.00 176.35 174.87 3bgr s VAL 75 N 1.35 4.76 -0.90 1.68 1.01 -1.26 0.19 120.40 127.24 3bgr s VAL 75 Ca 0.10 0.63 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 3bgr s VAL 75 Cb -0.18 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.04 3bgr s VAL 75 CO -0.19 -0.48 1.38 -0.62 0.00 0.00 0.00 175.10 175.19 3bgr s ASP 76 N 1.91 6.33 -0.05 3.32 2.15 -0.01 -4.86 116.67 125.47 3bgr s ASP 76 Ca 0.28 -1.00 0.08 0.00 0.43 0.00 0.00 52.55 52.34 3bgr s ASP 76 Cb -0.13 -2.57 0.32 0.00 -0.30 0.00 0.00 42.92 40.24 3bgr s ASP 76 CO 0.18 -1.67 1.14 0.49 -0.17 0.00 0.00 175.17 175.14 3bgr n PHE 77 N 9.17 0.66 -0.30 -5.34 0.99 -1.26 -4.35 117.46 117.02 3bgr n PHE 77 Ca 0.20 -0.26 0.07 0.00 -0.00 0.00 0.00 57.45 57.45 3bgr n PHE 77 Cb 0.50 -0.14 0.22 0.00 -1.00 0.00 0.00 39.48 39.06 3bgr n PHE 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3bgr h ARG 78 N 1.80 0.67 -0.04 -1.08 3.08 -1.89 0.21 114.38 117.14 3bgr h ARG 78 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3bgr h ARG 78 Cb 0.78 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3bgr h ARG 78 CO 0.11 0.45 -0.03 1.49 -1.07 0.00 0.00 179.97 180.92 3bgr h GLU 79 N 0.69 0.08 -0.69 0.04 4.57 -2.00 -2.38 114.58 114.89 3bgr h GLU 79 Ca 0.46 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.69 3bgr h GLU 79 Cb 0.60 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 3bgr h GLU 79 CO -0.33 0.51 0.46 1.25 -1.18 0.00 0.00 179.01 179.72 3bgr h LEU 80 N -0.35 0.55 -0.70 1.64 5.85 -1.69 -1.46 115.31 119.15 3bgr h LEU 80 Ca 0.01 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 3bgr h LEU 80 Cb 0.49 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3bgr h LEU 80 CO 0.01 0.34 -0.32 0.78 -0.34 0.00 0.00 178.44 178.91 3bgr h ASN 81 N 0.61 0.67 0.43 1.25 2.35 -0.46 -1.58 115.58 118.86 3bgr h ASN 81 Ca 0.31 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3bgr h ASN 81 Cb 0.42 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 3bgr h ASN 81 CO -0.10 0.94 -0.04 0.11 -1.65 0.00 0.00 177.43 176.69 3bgr h LYS 82 N 0.55 0.00 -0.16 0.81 1.57 -0.74 -2.70 116.57 115.89 3bgr h LYS 82 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3bgr h LYS 82 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3bgr h LYS 82 CO 0.07 0.04 0.00 0.54 -0.57 0.00 0.00 179.45 179.52 3bgr n ARG 83 N -3.27 1.73 -3.54 3.15 1.74 -0.80 -4.98 116.66 110.69 3bgr n ARG 83 Ca -0.02 -1.72 -0.38 0.00 -0.77 0.00 0.00 57.85 54.97 3bgr n ARG 83 Cb 0.19 -1.34 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 3bgr n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3bgr s THR 84 N -1.27 5.14 0.99 0.55 2.01 -0.66 -2.21 115.64 120.19 3bgr s THR 84 Ca 0.24 0.73 -0.15 0.00 0.31 0.00 0.00 61.69 62.82 3bgr s THR 84 Cb 0.15 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 69.00 3bgr s THR 84 CO 0.21 0.54 0.04 0.00 -0.69 0.00 0.00 174.62 174.73 3bgr n GLN 85 N 2.20 -0.48 -2.53 4.92 10.64 -1.08 -4.66 117.38 126.40 3bgr n GLN 85 Ca -0.14 -0.11 -0.32 0.00 -1.83 0.00 0.00 57.00 54.60 3bgr n GLN 85 Cb 0.53 -1.65 -0.04 0.00 -0.86 0.00 0.00 30.24 28.21 3bgr n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3bgr s ASP 86 N -1.77 6.70 0.32 2.61 -0.00 -1.26 -4.94 116.67 118.33 3bgr s ASP 86 Ca 0.53 1.58 0.06 0.00 -0.00 0.00 0.00 52.55 54.73 3bgr s ASP 86 Cb -0.17 -2.51 -0.06 0.00 -0.00 0.00 0.00 42.92 40.17 3bgr s ASP 86 CO 0.70 -0.52 -0.02 -0.36 -0.00 0.00 0.00 175.17 174.97 3bgr s PHE 87 N -2.50 2.10 -0.94 4.23 0.40 -1.26 -5.07 117.98 114.95 3bgr s PHE 87 Ca 0.59 -0.73 -0.22 0.00 -0.60 0.00 0.00 56.93 55.97 3bgr s PHE 87 Cb -0.10 -1.29 0.08 0.00 0.51 0.00 0.00 43.02 42.22 3bgr s PHE 87 CO 0.26 0.28 1.29 -0.46 0.70 0.00 0.00 175.22 177.29 3bgr s TRP 88 N -2.99 2.72 -0.74 0.36 -0.11 -1.26 -4.90 118.94 112.03 3bgr s TRP 88 Ca 0.32 -0.95 -0.24 0.00 1.22 0.00 0.00 56.10 56.46 3bgr s TRP 88 Cb 0.06 -4.52 -0.18 0.00 -1.50 0.00 0.00 33.47 27.32 3bgr s TRP 88 CO 0.14 -1.77 1.88 0.39 -4.62 0.00 0.00 176.95 172.97 3bgr n GLU 89 N 8.03 1.21 0.00 5.86 -0.58 -1.26 -4.64 120.64 129.26 3bgr n GLU 89 Ca 0.25 -1.83 0.00 0.00 -0.42 0.00 0.00 57.16 55.16 3bgr n GLU 89 Cb 0.50 -3.06 0.00 0.00 -0.57 0.00 0.00 31.44 28.30 3bgr n GLU 89 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 3bgr n VAL 90 N 6.68 0.00 -2.81 2.62 3.14 -1.26 -3.25 118.33 123.45 3bgr n VAL 90 Ca 0.48 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.46 3bgr n VAL 90 Cb 0.42 -0.71 0.01 0.00 -1.06 0.00 0.00 33.84 32.50 3bgr n VAL 90 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 3bgr n GLN 91 N -0.63 4.84 -4.04 1.45 7.27 -1.26 -4.99 117.38 120.02 3bgr n GLN 91 Ca 0.00 -4.66 -0.12 0.00 0.07 0.00 0.00 57.00 52.30 3bgr n GLN 91 Cb 0.00 -2.45 -0.11 0.00 2.41 0.00 0.00 30.24 30.08 3bgr n GLN 91 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3bgr s LEU 92 N -3.72 2.24 -0.44 1.69 1.43 -1.20 -4.96 118.68 113.71 3bgr s LEU 92 Ca 0.38 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 3bgr s LEU 92 Cb 0.15 -0.09 0.02 0.00 0.03 0.00 0.00 46.19 46.31 3bgr s LEU 92 CO -0.05 -0.22 0.61 0.61 0.23 0.00 0.00 176.35 177.52 3bgr n GLY 93 N 1.59 -1.22 3.74 -3.19 0.00 -1.26 -4.95 105.19 99.89 3bgr n GLY 93 Ca -0.23 1.24 -0.32 0.00 0.00 0.00 0.00 46.02 46.71 3bgr n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bgr s ILE 94 N -2.55 2.75 0.43 -0.61 -4.36 -1.26 -4.96 121.20 110.64 3bgr s ILE 94 Ca 0.25 0.31 -0.26 0.00 -0.26 0.00 0.00 60.65 60.69 3bgr s ILE 94 Cb -0.07 -2.73 -0.08 0.00 1.25 0.00 0.00 42.46 40.83 3bgr s ILE 94 CO 0.78 -0.26 1.35 -2.84 0.24 0.00 0.00 174.94 174.21 3bgr s PRO 95 N -4.34 3.84 -0.14 0.37 0.02 -1.26 -4.98 135.00 128.51 3bgr s PRO 95 Ca 0.68 2.26 -0.15 0.00 0.02 0.00 0.00 61.00 63.81 3bgr s PRO 95 Cb -0.23 -2.70 -0.05 0.00 0.02 0.00 0.00 34.50 31.55 3bgr s PRO 95 CO 0.49 -0.64 0.34 -1.58 -0.33 0.00 0.00 177.00 175.29 3bgr s HIS 96 N -1.24 3.50 0.47 6.54 2.46 -1.26 -4.95 115.29 120.80 3bgr s HIS 96 Ca 0.59 0.70 0.34 0.00 0.47 0.00 0.00 55.06 57.16 3bgr s HIS 96 Cb -0.40 -2.38 1.48 0.00 -0.13 0.00 0.00 32.58 31.15 3bgr s HIS 96 CO 0.52 0.26 1.65 -1.35 -2.47 0.00 0.00 174.74 173.34 3bgr h PRO 97 N 6.50 0.08 0.00 2.88 0.11 -1.98 0.89 132.00 140.49 3bgr h PRO 97 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3bgr h PRO 97 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3bgr h PRO 97 CO 0.74 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 3bgr n ALA 98 N -2.63 1.68 0.58 -0.75 0.00 -1.26 -2.13 120.51 115.98 3bgr n ALA 98 Ca 0.36 0.08 0.12 0.00 0.00 0.00 0.00 53.44 54.01 3bgr n ALA 98 Cb 1.49 -1.39 0.16 0.00 0.00 0.00 0.00 19.45 19.71 3bgr n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bgr n GLY 99 N 0.03 -1.39 3.77 0.00 0.00 0.31 -3.64 105.19 104.27 3bgr n GLY 99 Ca 0.02 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 3bgr n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bgr s LEU 100 N -4.17 3.09 0.31 0.99 1.43 -0.91 -4.69 118.68 114.73 3bgr s LEU 100 Ca 0.06 1.83 0.08 0.00 -1.03 0.00 0.00 54.13 55.07 3bgr s LEU 100 Cb 0.14 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 3bgr s LEU 100 CO 0.73 -1.93 0.18 -0.54 0.23 0.00 0.00 176.35 175.02 3bgr s LYS 101 N -4.80 2.59 0.24 1.70 3.01 -1.26 -0.42 119.74 120.79 3bgr s LYS 101 Ca 0.62 -1.34 -0.30 0.00 -1.01 0.00 0.00 55.97 53.94 3bgr s LYS 101 Cb -0.17 -2.35 -0.09 0.00 -1.01 0.00 0.00 37.83 34.21 3bgr s LYS 101 CO 0.54 0.20 1.05 -1.59 0.51 0.00 0.00 175.35 176.06 3bgr s LYS 102 N -3.87 4.69 -0.20 1.68 -2.85 -1.26 -4.91 119.74 113.02 3bgr s LYS 102 Ca 0.37 1.69 -0.05 0.00 -1.00 0.00 0.00 55.97 56.98 3bgr s LYS 102 Cb -0.05 -3.24 0.07 0.00 -2.06 0.00 0.00 37.83 32.55 3bgr s LYS 102 CO 0.24 0.26 0.10 -0.80 0.10 0.00 0.00 175.35 175.24 3bgr s ASN 103 N -0.72 2.68 0.46 0.03 -0.87 -1.25 -4.70 114.94 110.56 3bgr s ASN 103 Ca 0.45 -0.79 0.21 0.00 -1.57 0.00 0.00 52.86 51.16 3bgr s ASN 103 Cb -0.29 -0.30 1.14 0.00 -0.02 0.00 0.00 41.25 41.78 3bgr s ASN 103 CO 0.37 -0.37 1.97 0.07 -2.57 0.00 0.00 177.10 176.57 3bgr h LYS 104 N 8.40 0.00 -4.94 -0.60 2.10 -1.81 -3.41 116.57 116.32 3bgr h LYS 104 Ca -0.16 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.82 3bgr h LYS 104 Cb 1.11 0.00 -0.32 0.00 -0.90 0.00 0.00 32.23 32.12 3bgr h LYS 104 CO 0.33 0.21 -0.76 -1.12 -2.00 0.00 0.00 179.45 176.10 3bgr s SER 105 N -6.47 4.15 -0.28 7.07 0.01 -1.06 -5.03 113.70 112.08 3bgr s SER 105 Ca -0.03 -0.82 -0.00 0.00 1.31 0.00 0.00 55.95 56.41 3bgr s SER 105 Cb 0.13 -1.64 0.09 0.00 0.21 0.00 0.00 66.02 64.81 3bgr s SER 105 CO 0.64 -0.10 0.05 -0.69 0.41 0.00 0.00 173.24 173.55 3bgr s VAL 106 N 1.32 1.10 0.13 3.43 1.01 -1.26 -1.52 120.40 124.61 3bgr s VAL 106 Ca 0.01 -1.34 -0.15 0.00 0.00 0.00 0.00 61.98 60.50 3bgr s VAL 106 Cb -0.16 -1.70 -0.07 0.00 0.00 0.00 0.00 36.38 34.45 3bgr s VAL 106 CO -0.06 -0.49 0.54 -0.89 0.00 0.00 0.00 175.10 174.20 3bgr s THR 107 N 1.53 4.86 -0.12 3.92 2.01 0.03 -4.89 115.64 122.98 3bgr s THR 107 Ca 0.05 0.85 0.00 0.00 0.31 0.00 0.00 61.69 62.90 3bgr s THR 107 Cb -0.18 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 3bgr s THR 107 CO -0.17 0.29 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.22 3bgr s VAL 108 N -1.42 3.04 -0.05 3.82 1.01 -1.26 -0.18 120.40 125.36 3bgr s VAL 108 Ca 0.36 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.73 3bgr s VAL 108 Cb -0.15 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3bgr s VAL 108 CO 0.19 0.53 -0.25 -0.76 0.00 0.00 0.00 175.10 174.81 3bgr s LEU 109 N 0.26 2.06 0.07 3.92 1.43 0.28 -3.37 118.68 123.33 3bgr s LEU 109 Ca -0.09 -0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 52.25 3bgr s LEU 109 Cb -0.16 -1.36 -0.06 0.00 0.03 0.00 0.00 46.19 44.65 3bgr s LEU 109 CO 0.05 0.25 0.78 -0.62 0.23 0.00 0.00 176.35 177.05 3bgr s ASP 110 N -0.21 7.26 -0.31 2.29 3.68 -1.26 -0.72 116.67 127.40 3bgr s ASP 110 Ca -0.02 1.50 0.17 0.00 2.13 0.00 0.00 52.55 56.34 3bgr s ASP 110 Cb -0.13 -2.48 0.47 0.00 -1.45 0.00 0.00 42.92 39.33 3bgr s ASP 110 CO 0.03 0.04 1.05 1.33 0.13 0.00 0.00 175.17 177.75 3bgr n VAL 111 N 2.62 1.41 -0.05 1.11 0.24 0.94 -4.35 118.33 120.24 3bgr n VAL 111 Ca -0.03 -3.33 -0.16 0.00 -2.04 0.00 0.00 64.34 58.79 3bgr n VAL 111 Cb 0.50 0.51 -0.07 0.00 -1.47 0.00 0.00 33.84 33.31 3bgr n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3bgr h GLY 112 N 2.72 0.75 1.72 7.63 0.00 -1.92 -3.20 103.07 110.77 3bgr h GLY 112 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 47.33 46.35 3bgr h GLY 112 CO 0.45 0.86 0.00 1.22 0.00 0.00 0.00 176.54 179.06 3bgr n ASP 113 N -4.14 0.00 0.06 0.19 8.00 -1.26 -3.07 116.55 116.33 3bgr n ASP 113 Ca -0.06 0.14 -0.09 0.00 0.71 0.00 0.00 54.79 55.49 3bgr n ASP 113 Cb 0.61 -0.36 -0.13 0.00 -0.02 0.00 0.00 41.12 41.23 3bgr n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bgr h ALA 114 N 2.96 0.34 -0.91 2.24 0.00 -1.88 -3.30 119.26 118.71 3bgr h ALA 114 Ca 0.00 -0.96 0.16 0.00 0.00 0.00 0.00 54.91 54.11 3bgr h ALA 114 Cb 0.27 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 3bgr h ALA 114 CO 0.00 1.23 0.51 -0.92 0.00 0.00 0.00 179.25 180.07 3bgr h TYR 115 N 0.01 0.90 0.00 0.00 3.20 -1.66 0.88 116.97 120.31 3bgr h TYR 115 Ca -0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3bgr h TYR 115 Cb 1.83 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.84 3bgr h TYR 115 CO 0.01 0.22 -0.02 0.74 -1.64 0.00 0.00 178.16 177.48 3bgr h PHE 116 N 0.70 0.00 0.00 -3.82 -1.00 -1.77 -2.97 116.94 108.08 3bgr h PHE 116 Ca 0.50 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.28 3bgr h PHE 116 Cb 0.72 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.28 3bgr h PHE 116 CO -0.06 0.00 0.00 0.43 -1.61 0.00 0.00 178.31 177.07 3bgr n SER 117 N -2.78 0.00 -4.23 2.17 7.64 0.30 -4.42 113.62 112.30 3bgr n SER 117 Ca 0.04 -0.60 -0.39 0.00 1.01 0.00 0.00 58.87 58.93 3bgr n SER 117 Cb 0.49 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.59 3bgr n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3bgr s VAL 118 N -2.00 3.99 0.53 0.44 1.01 -1.12 -4.75 120.40 118.50 3bgr s VAL 118 Ca 0.03 -1.56 -0.22 0.00 0.00 0.00 0.00 61.98 60.23 3bgr s VAL 118 Cb 0.01 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 3bgr s VAL 118 CO 0.02 -0.55 1.26 -2.65 0.00 0.00 0.00 175.10 173.18 3bgr n PRO 119 N 4.85 1.56 -3.70 2.72 -0.02 -1.26 -2.40 135.00 136.74 3bgr n PRO 119 Ca -0.09 0.57 -0.36 0.00 -2.02 0.00 0.00 63.50 61.61 3bgr n PRO 119 Cb 0.42 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.38 3bgr n PRO 119 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3bgr s LEU 120 N -2.80 4.26 -0.40 2.45 2.96 -0.53 -4.65 118.68 119.97 3bgr s LEU 120 Ca 0.71 0.38 -0.45 0.00 -0.22 0.00 0.00 54.13 54.54 3bgr s LEU 120 Cb -0.44 -2.18 -0.19 0.00 0.50 0.00 0.00 46.19 43.88 3bgr s LEU 120 CO 0.50 0.21 1.55 -0.67 -1.32 0.00 0.00 176.35 176.62 3bgr n ASP 121 N 3.18 1.21 -0.18 3.68 4.64 -1.26 -4.79 116.55 123.03 3bgr n ASP 121 Ca -0.16 1.17 -0.04 0.00 -1.38 0.00 0.00 54.79 54.39 3bgr n ASP 121 Cb 0.53 -0.92 0.03 0.00 -1.04 0.00 0.00 41.12 39.71 3bgr n ASP 121 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 3bgr h GLU 122 N 5.02 -0.10 0.00 -0.67 4.57 -1.94 -0.48 114.58 120.98 3bgr h GLU 122 Ca -0.45 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3bgr h GLU 122 Cb 1.37 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 3bgr h GLU 122 CO 0.93 -0.06 0.00 -0.25 -1.18 0.00 0.00 179.01 178.45 3bgr n ASP 123 N -5.42 0.00 -0.03 1.04 8.00 -1.26 -2.72 116.55 116.15 3bgr n ASP 123 Ca 0.05 0.33 0.04 0.00 0.71 0.00 0.00 54.79 55.92 3bgr n ASP 123 Cb 0.33 -0.40 -0.15 0.00 -0.02 0.00 0.00 41.12 40.88 3bgr n ASP 123 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3bgr n PHE 124 N -1.40 0.00 -0.26 1.24 7.35 -0.22 -4.63 117.46 119.55 3bgr n PHE 124 Ca 0.04 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.74 3bgr n PHE 124 Cb 0.10 -0.57 0.08 0.00 0.35 0.00 0.00 39.48 39.44 3bgr n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3bgr h ARG 125 N 0.00 -0.00 -1.24 -4.13 3.08 -1.28 -1.40 114.38 109.41 3bgr h ARG 125 Ca -0.14 0.00 0.36 0.00 0.07 0.00 0.00 59.98 60.26 3bgr h ARG 125 Cb 1.25 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 3bgr h ARG 125 CO 0.01 -0.00 0.89 1.57 -1.07 0.00 0.00 179.97 181.36 3bgr h LYS 126 N -0.00 0.01 0.00 0.04 2.10 -1.82 0.79 116.57 117.68 3bgr h LYS 126 Ca 0.35 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 3bgr h LYS 126 Cb 0.54 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 3bgr h LYS 126 CO -0.76 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.35 3bgr n TYR 127 N -4.17 0.13 -0.12 0.07 4.01 -0.53 -2.53 117.16 114.02 3bgr n TYR 127 Ca 0.27 0.05 0.10 0.00 -0.16 0.00 0.00 57.90 58.16 3bgr n TYR 127 Cb 1.29 -0.58 0.29 0.00 -0.31 0.00 0.00 39.34 40.04 3bgr n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3bgr n THR 128 N -1.62 0.96 -1.73 -0.72 -2.24 0.27 -4.66 114.28 104.55 3bgr n THR 128 Ca 0.04 -0.90 -0.42 0.00 -2.27 0.00 0.00 64.05 60.51 3bgr n THR 128 Cb 0.22 0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 3bgr n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bgr n ALA 129 N 1.37 1.86 -2.42 6.98 0.00 -1.05 -4.36 120.51 122.89 3bgr n ALA 129 Ca 0.22 0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.93 3bgr n ALA 129 Cb 0.58 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.61 3bgr n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3bgr s PHE 130 N -0.97 0.26 -0.08 0.00 -0.12 -0.36 -1.35 117.98 115.35 3bgr s PHE 130 Ca 0.56 -0.72 0.02 0.00 -0.05 0.00 0.00 56.93 56.74 3bgr s PHE 130 Cb -0.53 -0.16 0.01 0.00 -0.63 0.00 0.00 43.02 41.72 3bgr s PHE 130 CO 0.61 -0.49 -0.14 0.99 -0.05 0.00 0.00 175.22 176.14 3bgr s THR 131 N -3.82 1.33 -0.45 -4.49 2.01 -1.26 -1.56 115.64 107.40 3bgr s THR 131 Ca 0.05 -0.58 -0.23 0.00 0.31 0.00 0.00 61.69 61.23 3bgr s THR 131 Cb 0.06 -1.21 0.02 0.00 0.01 0.00 0.00 72.50 71.38 3bgr s THR 131 CO -0.10 0.40 0.80 -0.63 -0.69 0.00 0.00 174.62 174.40 3bgr s ILE 132 N 0.70 4.63 0.91 1.82 1.01 -0.47 -4.72 121.20 125.07 3bgr s ILE 132 Ca -0.13 0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.89 3bgr s ILE 132 Cb -0.16 -4.33 0.02 0.00 0.01 0.00 0.00 42.46 38.00 3bgr s ILE 132 CO 0.03 -0.71 0.43 -2.65 0.00 0.00 0.00 174.94 172.04 3bgr n PRO 133 N 6.76 -0.17 -3.79 2.79 -0.02 -1.26 -1.79 135.00 137.51 3bgr n PRO 133 Ca 0.03 -0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.23 3bgr n PRO 133 Cb 0.48 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 3bgr n PRO 133 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3bgr s SER 134 N -1.91 6.38 -0.03 2.55 1.04 -1.26 -4.74 113.70 115.72 3bgr s SER 134 Ca 0.58 0.34 -0.34 0.00 0.48 0.00 0.00 55.95 57.01 3bgr s SER 134 Cb -0.24 -1.98 -0.12 0.00 0.10 0.00 0.00 66.02 63.78 3bgr s SER 134 CO 0.66 0.02 1.80 -0.38 0.98 0.00 0.00 173.24 176.32 3bgr n ILE 135 N -0.42 0.43 -0.99 -1.02 2.08 -1.26 -0.94 119.36 117.24 3bgr n ILE 135 Ca -0.05 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.18 3bgr n ILE 135 Cb 0.53 -1.76 0.00 0.00 -0.75 0.00 0.00 39.64 37.66 3bgr n ILE 135 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3bgr n ASN 136 N 5.80 -5.19 -3.70 4.38 3.02 -1.26 -3.25 115.26 115.05 3bgr n ASN 136 Ca 0.21 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.49 3bgr n ASN 136 Cb 0.29 -2.82 0.03 0.00 -0.61 0.00 0.00 39.78 36.66 3bgr n ASN 136 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3bgr n ASN 137 N -0.76 -4.95 -0.65 6.41 3.02 -0.11 -4.87 115.26 113.35 3bgr n ASN 137 Ca 0.00 -0.64 0.09 0.00 -0.03 0.00 0.00 54.58 54.00 3bgr n ASN 137 Cb 0.38 -3.97 0.06 0.00 -0.61 0.00 0.00 39.78 35.64 3bgr n ASN 137 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3bgr n GLU 138 N -4.49 1.51 -4.11 3.52 1.02 -1.20 -4.96 120.64 111.94 3bgr n GLU 138 Ca 0.02 -1.43 -0.08 0.00 -0.02 0.00 0.00 57.16 55.65 3bgr n GLU 138 Cb 0.54 -1.33 -0.10 0.00 -0.02 0.00 0.00 31.44 30.52 3bgr n GLU 138 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3bgr s THR 139 N -1.58 0.36 0.24 2.62 -4.23 -1.26 -5.13 115.64 106.66 3bgr s THR 139 Ca 0.20 -1.77 -0.30 0.00 -1.18 0.00 0.00 61.69 58.64 3bgr s THR 139 Cb 0.15 -1.46 -0.10 0.00 1.34 0.00 0.00 72.50 72.43 3bgr s THR 139 CO 0.26 -0.91 1.38 -2.16 -0.54 0.00 0.00 174.62 172.65 3bgr s PRO 140 N -3.68 4.32 0.72 3.99 0.04 -1.26 -4.51 135.00 134.63 3bgr s PRO 140 Ca 0.07 2.21 -0.16 0.00 0.04 0.00 0.00 61.00 63.15 3bgr s PRO 140 Cb 0.06 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.45 3bgr s PRO 140 CO -0.08 -0.34 0.86 0.41 0.04 0.00 0.00 177.00 177.89 3bgr n GLY 141 N 2.17 -0.72 3.67 0.56 0.00 -1.26 -4.79 105.19 104.82 3bgr n GLY 141 Ca 0.06 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 3bgr n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bgr s ILE 142 N -1.84 4.41 -0.15 -0.61 1.01 -0.74 -4.82 121.20 118.45 3bgr s ILE 142 Ca 0.71 1.71 -0.12 0.00 0.00 0.00 0.00 60.65 62.95 3bgr s ILE 142 Cb -0.35 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 3bgr s ILE 142 CO 0.52 -0.07 0.25 -0.13 0.00 0.00 0.00 174.94 175.51 3bgr s ARG 143 N 2.74 4.10 0.20 2.79 1.81 -1.26 -1.37 118.95 127.95 3bgr s ARG 143 Ca 0.53 0.02 0.02 0.00 -1.72 0.00 0.00 55.73 54.58 3bgr s ARG 143 Cb -0.21 -3.37 -0.05 0.00 -0.45 0.00 0.00 34.95 30.87 3bgr s ARG 143 CO 0.17 0.37 0.02 0.71 -0.68 0.00 0.00 175.30 175.88 3bgr s TYR 144 N 0.10 1.32 -0.03 -0.53 1.51 -0.60 -0.72 117.35 118.39 3bgr s TYR 144 Ca 0.15 -1.04 -0.16 0.00 -1.01 0.00 0.00 57.07 55.01 3bgr s TYR 144 Cb -0.13 -0.76 0.03 0.00 -0.11 0.00 0.00 41.96 41.00 3bgr s TYR 144 CO 0.03 -0.22 0.34 1.14 -1.11 0.00 0.00 175.55 175.74 3bgr s GLN 145 N -3.93 0.68 0.43 -0.62 -2.07 -0.44 -1.23 119.66 112.48 3bgr s GLN 145 Ca 0.27 -0.10 -0.22 0.00 -1.82 0.00 0.00 55.36 53.49 3bgr s GLN 145 Cb 0.06 0.31 -0.09 0.00 -1.09 0.00 0.00 33.01 32.20 3bgr s GLN 145 CO 0.07 -0.18 1.03 0.71 -1.32 0.00 0.00 175.29 175.59 3bgr s TYR 146 N -1.19 3.19 -0.19 9.60 2.02 -1.26 -1.28 117.35 128.24 3bgr s TYR 146 Ca -0.12 1.62 0.02 0.00 -0.37 0.00 0.00 57.07 58.22 3bgr s TYR 146 Cb -0.05 -3.06 -0.01 0.00 -0.40 0.00 0.00 41.96 38.44 3bgr s TYR 146 CO 0.04 -0.61 0.26 0.09 -1.57 0.00 0.00 175.55 173.77 3bgr n ASN 147 N -0.46 0.47 -4.27 2.29 3.02 0.18 -4.72 115.26 111.77 3bgr n ASN 147 Ca 0.07 -0.74 -0.15 0.00 -0.03 0.00 0.00 54.58 53.73 3bgr n ASN 147 Cb 0.51 0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 40.26 3bgr n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3bgr s VAL 148 N -0.90 0.88 0.00 2.41 -7.23 -1.21 -1.46 120.40 112.89 3bgr s VAL 148 Ca 0.02 -2.01 -0.33 0.00 -1.81 0.00 0.00 61.98 57.85 3bgr s VAL 148 Cb 0.02 -2.14 -0.11 0.00 0.56 0.00 0.00 36.38 34.70 3bgr s VAL 148 CO 0.08 -0.48 1.86 0.18 -0.31 0.00 0.00 175.10 176.43 3bgr n LEU 149 N -0.29 3.67 -4.75 1.32 4.77 -1.01 -4.68 117.00 116.03 3bgr n LEU 149 Ca -0.07 0.97 -0.40 0.00 -0.03 0.00 0.00 56.01 56.48 3bgr n LEU 149 Cb 0.63 -1.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.22 3bgr n LEU 149 CO 0.34 0.01 0.59 -2.84 -1.33 0.00 0.00 177.39 174.17 3bgr s PRO 150 N 3.58 4.73 0.40 3.23 0.02 -1.26 -4.92 135.00 140.77 3bgr s PRO 150 Ca 0.89 1.36 -0.26 0.00 0.02 0.00 0.00 61.00 63.00 3bgr s PRO 150 Cb -0.60 -3.29 -0.09 0.00 0.02 0.00 0.00 34.50 30.54 3bgr s PRO 150 CO 0.46 0.48 1.29 -0.65 -0.33 0.00 0.00 177.00 178.25 3bgr s GLN 151 N -0.95 4.01 0.00 5.54 -1.52 -1.26 -1.97 119.66 123.51 3bgr s GLN 151 Ca 0.40 2.13 0.00 0.00 -1.95 0.00 0.00 55.36 55.94 3bgr s GLN 151 Cb -0.24 -2.78 0.00 0.00 -0.22 0.00 0.00 33.01 29.76 3bgr s GLN 151 CO 0.29 -0.45 0.00 0.41 -0.25 0.00 0.00 175.29 175.30 3bgr n GLY 152 N 0.68 1.57 3.78 3.09 0.00 -1.26 -4.94 105.19 108.11 3bgr n GLY 152 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3bgr n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3bgr s TRP 153 N -2.69 3.84 0.30 1.61 -0.00 -0.83 -4.68 118.94 116.49 3bgr s TRP 153 Ca 0.00 1.48 0.05 0.00 -0.00 0.00 0.00 56.10 57.64 3bgr s TRP 153 Cb 0.00 -2.69 0.78 0.00 -0.00 0.00 0.00 33.47 31.56 3bgr s TRP 153 CO 0.00 0.49 1.69 -0.22 -0.00 0.00 0.00 176.95 178.92 3bgr h LYS 154 N 4.66 0.39 -0.04 5.86 3.64 -1.90 -2.13 116.57 127.05 3bgr h LYS 154 Ca -0.47 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3bgr h LYS 154 Cb 1.21 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3bgr h LYS 154 CO 0.66 0.26 0.00 0.41 -2.27 0.00 0.00 179.45 178.51 3bgr n GLY 155 N -1.33 -0.02 0.06 5.01 0.00 -1.26 -4.40 105.19 103.24 3bgr n GLY 155 Ca 0.24 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 3bgr n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3bgr h SER 156 N 2.15 -0.02 -0.10 1.61 0.02 -1.67 -1.56 113.55 113.98 3bgr h SER 156 Ca 0.00 -0.26 0.04 0.00 -0.84 0.00 0.00 61.79 60.73 3bgr h SER 156 Cb 0.46 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 3bgr h SER 156 CO 0.00 0.25 -0.18 -0.65 -1.14 0.00 0.00 176.83 175.11 3bgr h PRO 157 N -0.29 -0.24 -0.31 3.45 0.11 -1.77 -0.84 132.00 132.12 3bgr h PRO 157 Ca -0.00 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3bgr h PRO 157 Cb 0.28 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 3bgr h PRO 157 CO 0.00 -0.16 0.17 0.00 -0.21 0.00 0.00 178.00 177.80 3bgr h ALA 158 N 0.75 0.40 -0.10 -0.75 0.00 -1.83 -2.13 119.26 115.59 3bgr h ALA 158 Ca 0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3bgr h ALA 158 Cb 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3bgr h ALA 158 CO -0.24 -0.08 -0.40 0.82 0.00 0.00 0.00 179.25 179.36 3bgr h ILE 159 N 0.38 1.30 -0.03 0.00 2.04 -1.17 -1.33 117.51 118.70 3bgr h ILE 159 Ca 0.11 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 3bgr h ILE 159 Cb 0.06 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3bgr h ILE 159 CO -0.02 0.44 -0.03 0.15 0.00 0.00 0.00 178.15 178.69 3bgr h PHE 160 N 0.18 0.08 -0.39 1.37 3.04 -1.01 -0.50 116.94 119.72 3bgr h PHE 160 Ca 0.02 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.96 3bgr h PHE 160 Cb 0.78 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.25 3bgr h PHE 160 CO 0.01 0.56 0.22 1.96 -2.02 0.00 0.00 178.31 179.05 3bgr h GLN 161 N -0.42 0.44 -0.30 1.11 4.20 -1.36 0.25 115.11 119.03 3bgr h GLN 161 Ca 0.00 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3bgr h GLN 161 Cb 0.55 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 3bgr h GLN 161 CO 0.01 0.29 -0.09 0.66 -0.67 0.00 0.00 178.83 179.03 3bgr h SER 162 N 0.45 0.47 -0.16 1.46 4.64 -1.25 0.79 113.55 119.95 3bgr h SER 162 Ca 0.16 -0.11 -0.22 0.00 -0.47 0.00 0.00 61.79 61.15 3bgr h SER 162 Cb 0.02 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3bgr h SER 162 CO -0.08 0.60 -0.75 0.28 -0.87 0.00 0.00 176.83 176.01 3bgr h SER 163 N 0.46 0.94 -0.53 4.97 0.02 -0.44 -1.97 113.55 116.99 3bgr h SER 163 Ca 0.09 -0.62 -0.10 0.00 -0.84 0.00 0.00 61.79 60.31 3bgr h SER 163 Cb 0.43 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3bgr h SER 163 CO 0.02 1.41 -0.06 -0.03 -1.14 0.00 0.00 176.83 177.04 3bgr h MET 164 N 0.53 1.00 -0.16 3.45 -1.53 -0.16 -2.78 114.93 115.27 3bgr h MET 164 Ca -0.05 -0.34 -0.02 0.00 -3.44 0.00 0.00 59.70 55.86 3bgr h MET 164 Cb 1.38 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 32.35 3bgr h MET 164 CO 0.16 1.02 0.03 1.15 0.14 0.00 0.00 176.91 179.40 3bgr h THR 165 N 0.90 1.22 -0.80 -0.77 2.02 -0.86 -1.25 112.91 113.37 3bgr h THR 165 Ca 0.15 -0.70 0.09 0.00 0.77 0.00 0.00 66.41 66.72 3bgr h THR 165 Cb 0.60 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 68.33 3bgr h THR 165 CO 0.04 0.21 0.52 0.50 0.37 0.00 0.00 175.52 177.16 3bgr h LYS 166 N 0.06 0.75 -0.05 6.66 3.64 -1.28 0.46 116.57 126.81 3bgr h LYS 166 Ca 0.05 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 3bgr h LYS 166 Cb 0.30 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3bgr h LYS 166 CO 0.00 0.50 -0.59 0.82 -2.27 0.00 0.00 179.45 177.91 3bgr h ILE 167 N 0.78 1.38 0.00 2.00 2.04 -1.31 -3.28 117.51 119.12 3bgr h ILE 167 Ca 0.36 -1.97 -0.11 0.00 1.00 0.00 0.00 64.86 64.15 3bgr h ILE 167 Cb 0.38 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 3bgr h ILE 167 CO -0.14 0.58 -0.51 -0.07 0.00 0.00 0.00 178.15 178.02 3bgr h LEU 168 N 0.05 0.00 -0.51 1.44 3.38 -0.53 -3.37 115.31 115.77 3bgr h LEU 168 Ca -0.06 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3bgr h LEU 168 Cb 1.26 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 3bgr h LEU 168 CO 0.12 0.51 -0.30 1.21 0.09 0.00 0.00 178.44 180.06 3bgr n GLU 169 N -3.92 -0.23 0.25 1.13 4.07 0.15 -0.04 120.64 122.07 3bgr n GLU 169 Ca -0.01 1.03 0.12 0.00 -0.06 0.00 0.00 57.16 58.24 3bgr n GLU 169 Cb 0.52 -1.53 0.77 0.00 -0.06 0.00 0.00 31.44 31.15 3bgr n GLU 169 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 3bgr h PRO 170 N 0.00 0.00 -0.01 5.31 0.13 -1.78 -0.62 132.00 135.03 3bgr h PRO 170 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 3bgr h PRO 170 Cb 0.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.34 3bgr h PRO 170 CO -0.48 0.00 -0.04 0.35 -0.23 0.00 0.00 178.00 177.60 3bgr h PHE 171 N 0.00 0.05 -0.49 1.56 3.57 -0.68 -2.90 116.94 118.06 3bgr h PHE 171 Ca 0.02 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3bgr h PHE 171 Cb 0.11 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 3bgr h PHE 171 CO 0.00 0.73 0.22 0.00 -2.23 0.00 0.00 178.31 177.03 3bgr h ALA 172 N 0.31 0.61 -0.47 2.41 0.00 -0.63 -1.77 119.26 119.71 3bgr h ALA 172 Ca -0.00 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3bgr h ALA 172 Cb 0.74 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3bgr h ALA 172 CO 0.01 -0.15 0.31 0.00 0.00 0.00 0.00 179.25 179.42 3bgr h ALA 173 N 1.28 1.68 -0.05 0.00 0.00 -1.19 -2.23 119.26 118.75 3bgr h ALA 173 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3bgr h ALA 173 Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3bgr h ALA 173 CO -0.18 0.29 0.00 1.04 0.00 0.00 0.00 179.25 180.40 3bgr n GLN 174 N -4.47 2.01 -3.24 0.00 6.02 -1.05 -4.33 117.38 112.33 3bgr n GLN 174 Ca 0.04 -1.47 -0.24 0.00 -0.01 0.00 0.00 57.00 55.32 3bgr n GLN 174 Cb 0.06 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 29.79 3bgr n GLN 174 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3bgr n ASN 175 N 0.77 1.51 0.01 1.08 3.02 -0.69 -4.95 115.26 116.00 3bgr n ASN 175 Ca 0.17 -3.00 0.02 0.00 -0.03 0.00 0.00 54.58 51.74 3bgr n ASN 175 Cb 0.47 -0.64 0.09 0.00 -0.61 0.00 0.00 39.78 39.09 3bgr n ASN 175 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3bgr n PRO 176 N 1.04 0.01 -1.03 3.52 -0.04 -1.21 -2.44 135.00 134.85 3bgr n PRO 176 Ca 0.25 0.45 -0.08 0.00 -0.04 0.00 0.00 63.50 64.08 3bgr n PRO 176 Cb 0.50 -1.52 0.29 0.00 -0.04 0.00 0.00 33.50 32.73 3bgr n PRO 176 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3bgr n ASP 177 N -1.54 4.61 -3.97 3.54 3.85 -1.26 -4.92 116.55 116.87 3bgr n ASP 177 Ca 0.01 -3.29 -0.09 0.00 -0.71 0.00 0.00 54.79 50.71 3bgr n ASP 177 Cb 0.04 -0.75 -0.10 0.00 -1.35 0.00 0.00 41.12 38.96 3bgr n ASP 177 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.20 176.46 3bgr s ILE 178 N -3.04 0.13 0.08 2.12 -4.36 -1.02 -4.32 121.20 110.79 3bgr s ILE 178 Ca 0.55 -1.06 0.09 0.00 -0.26 0.00 0.00 60.65 59.97 3bgr s ILE 178 Cb 0.44 -0.63 -0.03 0.00 1.25 0.00 0.00 42.46 43.49 3bgr s ILE 178 CO 0.13 -0.58 -0.23 0.68 0.24 0.00 0.00 174.94 175.18 3bgr s VAL 179 N -2.10 1.86 -0.03 8.37 -7.23 0.12 -4.96 120.40 116.43 3bgr s VAL 179 Ca -0.10 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 3bgr s VAL 179 Cb -0.05 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.25 3bgr s VAL 179 CO -0.03 0.10 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.13 3bgr s ILE 180 N -0.99 0.84 -0.04 -0.62 1.01 -1.26 -0.44 121.20 119.69 3bgr s ILE 180 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.36 3bgr s ILE 180 Cb -0.10 -0.75 0.03 0.00 0.01 0.00 0.00 42.46 41.65 3bgr s ILE 180 CO 0.04 0.26 -0.01 0.00 0.00 0.00 0.00 174.94 175.22 3bgr s GLN 182 N 1.17 4.17 -0.28 0.00 -0.21 -1.26 -0.91 119.66 122.33 3bgr s GLN 182 Ca -0.07 0.52 -0.01 0.00 0.02 0.00 0.00 55.36 55.81 3bgr s GLN 182 Cb -0.14 -3.60 0.13 0.00 1.00 0.00 0.00 33.01 30.41 3bgr s GLN 182 CO -0.02 -0.27 0.28 -0.47 -2.12 0.00 0.00 175.29 172.69 3bgr s TYR 183 N 2.03 -0.41 0.00 0.91 5.04 -0.85 -5.03 117.35 119.04 3bgr s TYR 183 Ca 0.26 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 3bgr s TYR 183 Cb -0.16 -0.48 0.00 0.00 0.35 0.00 0.00 41.96 41.68 3bgr s TYR 183 CO 0.10 -0.89 0.00 -1.33 -1.34 0.00 0.00 175.55 172.08 3bgr n MET 184 N 5.31 0.00 0.00 4.97 2.81 -1.26 -2.87 117.12 126.08 3bgr n MET 184 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 3bgr n MET 184 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.97 3bgr n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3bgr n ASP 185 N -0.06 1.66 -4.22 7.83 8.00 -1.26 -4.83 116.55 123.67 3bgr n ASP 185 Ca 0.00 -1.59 -0.13 0.00 0.71 0.00 0.00 54.79 53.78 3bgr n ASP 185 Cb 0.00 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 40.60 3bgr n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3bgr s ASP 186 N 0.45 1.57 -0.13 -2.24 1.01 -1.14 -0.04 116.67 116.14 3bgr s ASP 186 Ca 0.00 -1.00 0.02 0.00 0.71 0.00 0.00 52.55 52.28 3bgr s ASP 186 Cb 0.00 0.02 0.02 0.00 1.01 0.00 0.00 42.92 43.97 3bgr s ASP 186 CO 0.00 -0.37 -0.18 -0.76 0.21 0.00 0.00 175.17 174.07 3bgr s LEU 187 N -3.08 1.89 -0.22 1.23 1.43 0.10 -2.01 118.68 118.02 3bgr s LEU 187 Ca 0.14 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 3bgr s LEU 187 Cb 0.03 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 3bgr s LEU 187 CO -0.01 0.02 0.07 -0.31 0.23 0.00 0.00 176.35 176.35 3bgr s TYR 188 N 1.05 3.16 -0.22 0.29 1.51 -0.09 -0.55 117.35 122.50 3bgr s TYR 188 Ca -0.03 -0.16 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3bgr s TYR 188 Cb -0.15 -2.17 0.02 0.00 -0.11 0.00 0.00 41.96 39.56 3bgr s TYR 188 CO -0.05 -0.11 -0.10 0.08 -1.11 0.00 0.00 175.55 174.26 3bgr s VAL 189 N 1.05 2.65 0.23 0.71 1.01 0.74 -0.93 120.40 125.86 3bgr s VAL 189 Ca 0.04 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.18 3bgr s VAL 189 Cb -0.14 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 3bgr s VAL 189 CO 0.03 0.32 -0.18 -0.83 0.00 0.00 0.00 175.10 174.44 3bgr s GLY 190 N 1.32 1.77 0.31 4.51 0.00 0.42 -0.79 107.32 114.87 3bgr s GLY 190 Ca 0.02 -1.71 -0.19 0.00 0.00 0.00 0.00 44.72 42.84 3bgr s GLY 190 CO -0.07 -1.76 0.78 -1.35 0.00 0.00 0.00 173.10 170.71 3bgr s SER 191 N -3.10 -0.12 -0.17 1.64 1.04 -0.58 0.15 113.70 112.56 3bgr s SER 191 Ca 0.26 -0.83 0.14 0.00 0.48 0.00 0.00 55.95 55.99 3bgr s SER 191 Cb -0.07 0.76 0.37 0.00 0.10 0.00 0.00 66.02 67.18 3bgr s SER 191 CO 0.13 -1.45 1.19 -0.67 0.98 0.00 0.00 173.24 173.43 3bgr n ASP 192 N -0.92 1.83 -4.88 7.02 2.03 -1.26 -2.58 116.55 117.80 3bgr n ASP 192 Ca -0.06 -3.54 -0.30 0.00 0.52 0.00 0.00 54.79 51.41 3bgr n ASP 192 Cb 0.60 -0.48 -0.01 0.00 -0.72 0.00 0.00 41.12 40.50 3bgr n ASP 192 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3bgr s LEU 193 N -2.92 3.53 0.22 -2.67 1.43 -1.26 -4.86 118.68 112.15 3bgr s LEU 193 Ca 0.35 1.24 -0.32 0.00 -1.03 0.00 0.00 54.13 54.37 3bgr s LEU 193 Cb 0.34 -4.21 -0.13 0.00 0.03 0.00 0.00 46.19 42.22 3bgr s LEU 193 CO -0.04 -0.64 1.57 -0.62 0.23 0.00 0.00 176.35 176.84 3bgr n GLU 194 N -2.13 2.36 0.12 1.70 -0.58 -1.26 -4.65 120.64 116.20 3bgr n GLU 194 Ca 0.04 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.63 3bgr n GLU 194 Cb 0.54 -2.61 0.02 0.00 -0.57 0.00 0.00 31.44 28.83 3bgr n GLU 194 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 3bgr n ILE 195 N 2.88 0.07 -0.05 -3.67 0.13 -1.26 -0.43 119.36 117.03 3bgr n ILE 195 Ca 0.14 0.68 -0.01 0.00 -1.10 0.00 0.00 62.75 62.45 3bgr n ILE 195 Cb 0.32 -1.68 -0.00 0.00 -0.84 0.00 0.00 39.64 37.45 3bgr n ILE 195 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3bgr h GLY 196 N 0.00 0.00 2.00 4.50 0.00 -2.01 -3.08 103.07 104.48 3bgr h GLY 196 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bgr h GLY 196 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 3bgr n GLN 197 N -4.48 0.09 0.07 4.80 6.02 0.43 -1.82 117.38 122.50 3bgr n GLN 197 Ca -0.01 0.51 -0.22 0.00 -0.01 0.00 0.00 57.00 57.27 3bgr n GLN 197 Cb 0.05 -1.75 -0.15 0.00 1.02 0.00 0.00 30.24 29.41 3bgr n GLN 197 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3bgr h HIS 198 N 0.00 0.67 -0.35 1.08 2.76 -1.47 -3.06 115.15 114.78 3bgr h HIS 198 Ca 0.00 -0.49 -0.09 0.00 -2.20 0.00 0.00 60.37 57.59 3bgr h HIS 198 Cb 0.09 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3bgr h HIS 198 CO 0.00 1.47 -0.16 0.00 -1.30 0.00 0.00 177.93 177.94 3bgr h ARG 199 N -0.16 0.63 0.69 5.26 2.47 -1.26 -1.41 114.38 120.60 3bgr h ARG 199 Ca -0.23 -0.21 -0.03 0.00 -1.26 0.00 0.00 59.98 58.25 3bgr h ARG 199 Cb 1.87 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 30.13 3bgr h ARG 199 CO 0.17 0.76 -0.41 1.15 0.56 0.00 0.00 179.97 182.21 3bgr h THR 200 N 0.57 0.18 -0.97 2.04 2.02 -1.62 0.34 112.91 115.47 3bgr h THR 200 Ca 0.09 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.51 3bgr h THR 200 Cb 0.60 0.18 -0.08 0.00 -1.74 0.00 0.00 68.15 67.11 3bgr h THR 200 CO 0.04 0.00 0.64 0.11 0.37 0.00 0.00 175.52 176.68 3bgr h LYS 201 N -1.03 0.38 -0.31 6.66 1.79 -1.37 0.28 116.57 122.98 3bgr h LYS 201 Ca -0.09 -0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.22 3bgr h LYS 201 Cb 0.82 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.38 3bgr h LYS 201 CO 0.10 0.25 -0.37 0.82 -1.08 0.00 0.00 179.45 179.18 3bgr h ILE 202 N 0.40 1.29 -0.40 1.86 1.08 -0.66 -1.72 117.51 119.36 3bgr h ILE 202 Ca 0.52 -1.54 -0.02 0.00 -0.39 0.00 0.00 64.86 63.43 3bgr h ILE 202 Cb 1.33 1.56 -0.02 0.00 -3.07 0.00 0.00 36.82 36.63 3bgr h ILE 202 CO -0.22 0.50 0.16 -0.33 -0.69 0.00 0.00 178.15 177.57 3bgr h GLU 203 N 0.55 0.56 -0.33 2.37 4.39 0.16 -1.31 114.58 120.97 3bgr h GLU 203 Ca 0.04 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 3bgr h GLU 203 Cb 0.95 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 3bgr h GLU 203 CO 0.09 0.47 -0.47 0.93 -1.16 0.00 0.00 179.01 178.86 3bgr h GLU 204 N 0.56 0.89 -0.40 2.33 5.08 -0.58 -1.28 114.58 121.18 3bgr h GLU 204 Ca 0.14 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3bgr h GLU 204 Cb 0.12 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3bgr h GLU 204 CO -0.01 1.16 0.25 1.25 -1.00 0.00 0.00 179.01 180.66 3bgr h LEU 205 N 0.70 0.46 -0.88 1.33 5.85 -0.45 0.20 115.31 122.52 3bgr h LEU 205 Ca 0.04 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3bgr h LEU 205 Cb 1.07 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 3bgr h LEU 205 CO 0.11 0.35 0.55 0.03 -0.34 0.00 0.00 178.44 179.14 3bgr h ARG 206 N 0.53 1.18 -0.52 1.25 3.08 -1.18 0.21 114.38 118.93 3bgr h ARG 206 Ca 0.14 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3bgr h ARG 206 Cb -0.04 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 3bgr h ARG 206 CO -0.03 0.80 0.22 0.37 -1.07 0.00 0.00 179.97 180.27 3bgr h GLN 207 N 1.20 0.76 -0.70 0.04 4.15 -0.42 -1.57 115.11 118.57 3bgr h GLN 207 Ca 0.32 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 3bgr h GLN 207 Cb -0.09 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.44 3bgr h GLN 207 CO -0.06 0.66 0.30 1.25 -1.93 0.00 0.00 178.83 179.04 3bgr h HIS 208 N 0.69 1.04 0.00 3.99 2.76 0.17 -2.69 115.15 121.12 3bgr h HIS 208 Ca 0.17 -0.07 -0.08 0.00 -2.20 0.00 0.00 60.37 58.19 3bgr h HIS 208 Cb 0.17 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 3bgr h HIS 208 CO 0.00 0.80 -0.40 -0.07 -1.30 0.00 0.00 177.93 176.96 3bgr h LEU 209 N 0.99 0.00 -1.89 0.26 3.38 -0.32 -2.82 115.31 114.91 3bgr h LEU 209 Ca 0.23 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.23 3bgr h LEU 209 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3bgr h LEU 209 CO -0.02 0.40 0.13 0.25 0.09 0.00 0.00 178.44 179.28 3bgr h LEU 210 N 0.00 0.13 -2.03 1.67 5.85 -0.94 -1.64 115.31 118.35 3bgr h LEU 210 Ca -0.00 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.84 3bgr h LEU 210 Cb 0.78 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3bgr h LEU 210 CO 0.05 0.09 0.39 -0.09 -0.34 0.00 0.00 178.44 178.54 3bgr h ARG 211 N 0.15 0.00 -0.51 1.25 2.43 -1.53 0.66 114.38 116.83 3bgr h ARG 211 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3bgr h ARG 211 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3bgr h ARG 211 CO -0.01 0.00 0.00 0.91 -1.51 0.00 0.00 179.97 179.36 3bgr n TRP 212 N -3.99 1.10 -1.49 2.20 8.01 -0.65 -1.20 117.44 121.41 3bgr n TRP 212 Ca 0.08 -0.63 -0.09 0.00 -1.31 0.00 0.00 57.50 55.55 3bgr n TRP 212 Cb 0.57 -0.19 -0.03 0.00 -2.01 0.00 0.00 31.31 29.66 3bgr n TRP 212 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bgr n GLY 213 N 0.70 0.81 3.59 6.99 0.00 0.23 -4.84 105.19 112.68 3bgr n GLY 213 Ca 0.21 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 3bgr n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bgr s LEU 214 N -2.23 4.08 -0.08 0.99 1.43 -1.00 -4.98 118.68 116.89 3bgr s LEU 214 Ca 0.00 0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3bgr s LEU 214 Cb 0.00 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3bgr s LEU 214 CO 0.00 -0.15 -0.05 0.42 0.23 0.00 0.00 176.35 176.80 3bgr s THR 215 N 1.93 3.83 -0.24 5.49 -4.23 -1.26 -3.69 115.64 117.48 3bgr s THR 215 Ca 0.11 -0.42 -0.03 0.00 -1.18 0.00 0.00 61.69 60.17 3bgr s THR 215 Cb -0.16 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.10 3bgr s THR 215 CO 0.11 0.59 -0.05 0.42 -0.54 0.00 0.00 174.62 175.14 3bgr s THR 216 N -0.69 3.14 0.12 3.99 -4.23 -1.26 -4.85 115.64 111.86 3bgr s THR 216 Ca 0.11 -0.75 -0.34 0.00 -1.18 0.00 0.00 61.69 59.53 3bgr s THR 216 Cb -0.11 -2.50 -0.18 0.00 1.34 0.00 0.00 72.50 71.05 3bgr s THR 216 CO 0.02 0.31 0.95 -2.65 -0.54 0.00 0.00 174.62 172.71 3bgr n PRO 217 N 4.74 0.44 -1.42 3.99 -0.02 -1.26 -4.41 135.00 137.06 3bgr n PRO 217 Ca -0.17 0.16 -0.50 0.00 -2.02 0.00 0.00 63.50 60.97 3bgr n PRO 217 Cb 0.49 -1.51 -0.09 0.00 -0.02 0.00 0.00 33.50 32.36 3bgr n PRO 217 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3bgr n ASP 218 N 1.83 1.44 -4.18 2.55 -0.08 -1.26 -4.59 116.55 112.26 3bgr n ASP 218 Ca 0.18 0.34 -0.32 0.00 -1.51 0.00 0.00 54.79 53.47 3bgr n ASP 218 Cb 0.19 -1.14 -0.16 0.00 2.34 0.00 0.00 41.12 42.35 3bgr n ASP 218 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3bgr s LYS 219 N 6.92 3.03 -0.58 -0.67 -0.14 -1.26 -4.92 119.74 122.13 3bgr s LYS 219 Ca 1.16 -0.85 0.04 0.00 -1.36 0.00 0.00 55.97 54.96 3bgr s LYS 219 Cb -1.03 -2.43 0.16 0.00 -1.68 0.00 0.00 37.83 32.85 3bgr s LYS 219 CO 0.51 0.01 0.38 0.15 -0.76 0.00 0.00 175.35 175.64 3bgr s LYS 220 N 0.76 1.94 0.97 1.68 1.02 -1.26 -4.48 119.74 120.37 3bgr s LYS 220 Ca -0.08 -2.80 -0.15 0.00 0.02 0.00 0.00 55.97 52.96 3bgr s LYS 220 Cb -0.16 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 3bgr s LYS 220 CO -0.01 -1.25 -0.03 1.58 -0.92 0.00 0.00 175.35 174.73 3bgr n HIS 221 N 2.58 -2.62 0.40 3.18 -0.00 -1.22 -4.75 115.22 112.80 3bgr n HIS 221 Ca 0.17 0.15 0.02 0.00 0.46 0.00 0.00 57.72 58.52 3bgr n HIS 221 Cb 0.36 -1.66 0.14 0.00 -0.12 0.00 0.00 29.99 28.71 3bgr n HIS 221 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 3bgr n GLN 222 N -0.34 0.20 -4.59 1.57 -0.06 -1.26 -4.44 117.38 108.47 3bgr n GLN 222 Ca 0.04 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.71 3bgr n GLN 222 Cb 0.55 -1.36 -0.16 0.00 -4.06 0.00 0.00 30.24 25.21 3bgr n GLN 222 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3bgr s LYS 223 N -2.00 2.95 0.02 3.69 -0.14 -1.26 -5.12 119.74 117.89 3bgr s LYS 223 Ca 0.07 -0.83 -0.03 0.00 -1.36 0.00 0.00 55.97 53.83 3bgr s LYS 223 Cb 0.03 -2.41 -0.02 0.00 -1.68 0.00 0.00 37.83 33.76 3bgr s LYS 223 CO 0.05 -0.04 0.03 -1.83 -0.76 0.00 0.00 175.35 172.80 3bgr s GLU 224 N 0.89 0.44 0.10 1.68 1.03 -1.26 -4.79 118.70 116.78 3bgr s GLU 224 Ca -0.06 -0.68 -0.20 0.00 0.03 0.00 0.00 54.97 54.06 3bgr s GLU 224 Cb -0.15 0.16 -0.11 0.00 -0.80 0.00 0.00 34.13 33.23 3bgr s GLU 224 CO -0.03 -0.09 0.42 -2.30 -1.33 0.00 0.00 175.26 171.93 3bgr n PRO 225 N 1.20 0.00 -3.22 -4.83 -0.02 -1.26 -4.51 135.00 122.35 3bgr n PRO 225 Ca -0.21 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 60.88 3bgr n PRO 225 Cb 0.57 -0.72 -0.06 0.00 -0.02 0.00 0.00 33.50 33.26 3bgr n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3bgr s PRO 226 N -0.48 4.24 0.10 0.52 0.04 -1.26 -5.07 135.00 133.09 3bgr s PRO 226 Ca 0.45 0.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.04 3bgr s PRO 226 Cb -0.65 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 30.64 3bgr s PRO 226 CO 0.36 0.60 0.73 -0.06 0.04 0.00 0.00 177.00 178.67 3bgr s PHE 227 N -1.18 3.82 -0.40 0.56 0.40 0.02 -4.85 117.98 116.35 3bgr s PHE 227 Ca 0.32 1.50 -0.16 0.00 -0.60 0.00 0.00 56.93 57.99 3bgr s PHE 227 Cb -0.19 -2.74 0.01 0.00 0.51 0.00 0.00 43.02 40.61 3bgr s PHE 227 CO 0.20 0.43 0.39 -0.51 0.70 0.00 0.00 175.22 176.43 3bgr s LEU 228 N -0.69 4.80 -0.09 -0.37 1.43 -1.26 -0.58 118.68 121.92 3bgr s LEU 228 Ca 0.35 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.81 3bgr s LEU 228 Cb -0.21 -2.32 0.05 0.00 0.03 0.00 0.00 46.19 43.74 3bgr s LEU 228 CO 0.23 -0.49 0.19 0.86 0.23 0.00 0.00 176.35 177.37 3bgr s TRP 229 N 2.00 -0.24 -1.35 0.29 -0.00 -0.80 -4.91 118.94 113.94 3bgr s TRP 229 Ca 0.10 0.69 -0.03 0.00 -0.00 0.00 0.00 56.10 56.86 3bgr s TRP 229 Cb -0.17 -0.19 0.02 0.00 -0.00 0.00 0.00 33.47 33.13 3bgr s TRP 229 CO 0.12 -0.28 0.27 -1.33 -0.00 0.00 0.00 176.95 175.73 3bgr n MET 230 N 5.22 -3.08 -0.25 5.86 2.81 -1.26 -1.09 117.12 125.33 3bgr n MET 230 Ca -0.07 0.71 0.00 0.00 -1.81 0.00 0.00 57.70 56.53 3bgr n MET 230 Cb 0.50 -5.41 0.00 0.00 -0.71 0.00 0.00 33.22 27.60 3bgr n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3bgr n GLY 231 N -1.10 0.96 3.91 3.03 0.00 -1.26 -5.04 105.19 105.69 3bgr n GLY 231 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 3bgr n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bgr s TYR 232 N -2.69 1.98 -0.20 1.61 1.51 -0.25 -0.06 117.35 119.25 3bgr s TYR 232 Ca 0.00 -0.70 0.01 0.00 -1.01 0.00 0.00 57.07 55.36 3bgr s TYR 232 Cb 0.00 -2.05 0.05 0.00 -0.11 0.00 0.00 41.96 39.85 3bgr s TYR 232 CO 0.00 -0.45 -0.08 -1.21 -1.11 0.00 0.00 175.55 172.70 3bgr s GLU 233 N -4.28 1.83 -0.26 -0.62 2.02 0.11 -1.90 118.70 115.59 3bgr s GLU 233 Ca 0.43 -0.82 -0.10 0.00 0.02 0.00 0.00 54.97 54.50 3bgr s GLU 233 Cb -0.03 -2.38 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 3bgr s GLU 233 CO 0.26 -0.47 0.17 -0.51 0.02 0.00 0.00 175.26 174.73 3bgr s LEU 234 N 1.44 4.01 0.33 1.80 1.43 0.25 -1.86 118.68 126.07 3bgr s LEU 234 Ca -0.02 0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 3bgr s LEU 234 Cb -0.17 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 3bgr s LEU 234 CO -0.08 -0.00 0.17 -1.00 0.23 0.00 0.00 176.35 175.67 3bgr s HIS 235 N 1.46 2.78 0.27 0.29 3.76 0.73 -0.80 115.29 123.79 3bgr s HIS 235 Ca 0.07 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.66 3bgr s HIS 235 Cb -0.15 -1.62 0.63 0.00 1.11 0.00 0.00 32.58 32.55 3bgr s HIS 235 CO 0.08 0.34 1.70 -1.35 -0.85 0.00 0.00 174.74 174.66 3bgr h PRO 236 N 1.50 0.39 0.00 8.40 0.11 -1.96 -3.17 132.00 137.27 3bgr h PRO 236 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3bgr h PRO 236 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3bgr h PRO 236 CO 0.62 0.26 -0.20 -0.40 -0.21 0.00 0.00 178.00 178.06 3bgr n ASP 237 N -5.04 1.10 -3.58 -2.05 5.75 -1.26 -3.97 116.55 107.49 3bgr n ASP 237 Ca 0.19 -2.30 -0.09 0.00 -0.01 0.00 0.00 54.79 52.58 3bgr n ASP 237 Cb 0.57 -0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 40.39 3bgr n ASP 237 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3bgr s LYS 238 N -1.20 1.23 0.18 0.11 -2.85 -1.20 -4.40 119.74 111.61 3bgr s LYS 238 Ca 0.12 -0.55 -0.04 0.00 -1.00 0.00 0.00 55.97 54.50 3bgr s LYS 238 Cb 0.11 0.50 -0.03 0.00 -2.06 0.00 0.00 37.83 36.35 3bgr s LYS 238 CO 0.01 -0.55 0.19 1.67 0.10 0.00 0.00 175.35 176.77 3bgr s TRP 239 N -3.52 0.82 0.20 1.78 1.48 -0.21 -0.19 118.94 119.30 3bgr s TRP 239 Ca 0.06 -1.13 -0.23 0.00 -1.06 0.00 0.00 56.10 53.74 3bgr s TRP 239 Cb -0.02 -0.34 0.06 0.00 -1.16 0.00 0.00 33.47 32.01 3bgr s TRP 239 CO -0.06 -0.67 0.93 -0.08 -4.06 0.00 0.00 176.95 173.01 3bgr s THR 240 N -4.07 0.00 0.50 0.66 -1.32 -0.78 -0.21 115.64 110.42 3bgr s THR 240 Ca 0.29 -0.73 -0.09 0.00 -1.21 0.00 0.00 61.69 59.95 3bgr s THR 240 Cb 0.05 -2.30 -0.05 0.00 -1.51 0.00 0.00 72.50 68.69 3bgr s THR 240 CO 0.07 0.00 0.86 0.68 -2.21 0.00 0.00 174.62 174.01 3bgr s VAL 241 N -2.99 4.81 0.42 5.08 -7.23 -1.26 0.04 120.40 119.26 3bgr s VAL 241 Ca 0.15 0.53 -0.26 0.00 -1.81 0.00 0.00 61.98 60.59 3bgr s VAL 241 Cb -0.03 -3.83 -0.09 0.00 0.56 0.00 0.00 36.38 33.00 3bgr s VAL 241 CO 0.05 -0.84 1.33 -1.10 -0.31 0.00 0.00 175.10 174.23 3bgr s GLN 242 N -4.61 3.90 -0.05 4.82 -0.21 0.92 -4.56 119.66 119.86 3bgr s GLN 242 Ca 0.51 2.22 -0.18 0.00 0.02 0.00 0.00 55.36 57.93 3bgr s GLN 242 Cb -0.10 -2.73 -0.08 0.00 1.00 0.00 0.00 33.01 31.09 3bgr s GLN 242 CO 0.43 -0.58 0.51 -2.30 -2.12 0.00 0.00 175.29 171.24 3bgr n PRO 243 N 0.04 0.00 -3.73 2.91 -0.02 -1.26 -4.93 135.00 128.01 3bgr n PRO 243 Ca 0.04 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.15 3bgr n PRO 243 Cb 0.43 -0.64 -0.12 0.00 -0.02 0.00 0.00 33.50 33.16 3bgr n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3bgr s ILE 244 N 0.32 4.65 -0.40 4.25 -1.09 -1.26 -5.06 121.20 122.61 3bgr s ILE 244 Ca 0.40 -0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.78 3bgr s ILE 244 Cb -0.56 -3.18 0.11 0.00 -1.58 0.00 0.00 42.46 37.25 3bgr s ILE 244 CO 0.27 0.33 0.14 -0.69 -1.23 0.00 0.00 174.94 173.75 3bgr s VAL 245 N 1.53 2.65 0.03 2.92 1.01 -1.26 -5.07 120.40 122.20 3bgr s VAL 245 Ca 0.06 -2.45 -0.30 0.00 0.00 0.00 0.00 61.98 59.29 3bgr s VAL 245 Cb -0.15 -2.88 -0.08 0.00 0.00 0.00 0.00 36.38 33.27 3bgr s VAL 245 CO 0.05 -0.67 1.81 -0.76 0.00 0.00 0.00 175.10 175.54 3bgr s LEU 246 N 0.73 4.39 0.50 3.92 1.43 -1.26 -4.95 118.68 123.45 3bgr s LEU 246 Ca 0.12 2.53 -0.23 0.00 -1.03 0.00 0.00 54.13 55.52 3bgr s LEU 246 Cb -0.21 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 3bgr s LEU 246 CO -0.06 -0.99 1.33 -2.84 0.23 0.00 0.00 176.35 174.02 3bgr s PRO 247 N 3.86 3.40 -0.24 1.29 0.02 -1.26 -5.01 135.00 137.06 3bgr s PRO 247 Ca 0.81 2.17 -0.07 0.00 0.02 0.00 0.00 61.00 63.93 3bgr s PRO 247 Cb -0.40 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 31.71 3bgr s PRO 247 CO 0.36 -0.96 0.06 -1.21 -0.33 0.00 0.00 177.00 174.92 3bgr s GLU 248 N -2.74 3.67 0.18 5.54 0.41 -1.26 -5.08 118.70 119.42 3bgr s GLU 248 Ca 0.67 -0.47 -0.16 0.00 -0.41 0.00 0.00 54.97 54.60 3bgr s GLU 248 Cb -0.39 -3.29 0.02 0.00 -1.78 0.00 0.00 34.13 28.70 3bgr s GLU 248 CO 0.47 -0.14 0.47 0.15 -0.49 0.00 0.00 175.26 175.72 3bgr s LYS 249 N 1.47 1.31 -0.05 1.61 1.02 -1.26 -5.02 119.74 118.82 3bgr s LYS 249 Ca 0.06 -0.91 0.07 0.00 0.02 0.00 0.00 55.97 55.21 3bgr s LYS 249 Cb -0.15 0.49 -0.10 0.00 -0.52 0.00 0.00 37.83 37.55 3bgr s LYS 249 CO 0.03 -0.54 0.08 -0.40 -0.92 0.00 0.00 175.35 173.60 3bgr n ASP 250 N -0.31 3.21 -4.14 2.83 5.75 -1.26 -4.88 116.55 117.75 3bgr n ASP 250 Ca -0.10 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.33 3bgr n ASP 250 Cb 0.63 0.94 -0.13 0.00 -1.03 0.00 0.00 41.12 41.53 3bgr n ASP 250 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3bgr s SER 251 N -3.52 5.06 -0.14 -1.12 0.15 -1.26 -5.06 113.70 107.82 3bgr s SER 251 Ca -0.03 -1.65 -0.05 0.00 0.70 0.00 0.00 55.95 54.92 3bgr s SER 251 Cb 0.03 -1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 62.54 3bgr s SER 251 CO 0.31 -0.39 0.04 0.26 1.20 0.00 0.00 173.24 174.65 3bgr s TRP 252 N 1.19 3.23 0.48 3.44 0.52 -1.26 -5.07 118.94 121.46 3bgr s TRP 252 Ca 0.02 0.11 0.06 0.00 0.02 0.00 0.00 56.10 56.31 3bgr s TRP 252 Cb -0.21 -1.95 -0.00 0.00 -1.15 0.00 0.00 33.47 30.15 3bgr s TRP 252 CO -0.03 0.29 0.32 0.95 0.02 0.00 0.00 176.95 178.50 3bgr s THR 253 N -0.18 2.05 0.18 2.01 -4.23 -1.26 -2.30 115.64 111.90 3bgr s THR 253 Ca 0.06 -1.54 -0.21 0.00 -1.18 0.00 0.00 61.69 58.83 3bgr s THR 253 Cb -0.12 -2.58 0.11 0.00 1.34 0.00 0.00 72.50 71.24 3bgr s THR 253 CO 0.02 0.00 1.60 0.58 -0.54 0.00 0.00 174.62 176.27 3bgr h VAL 254 N 1.03 0.22 0.16 2.29 2.07 -1.33 -0.20 116.25 120.49 3bgr h VAL 254 Ca -0.40 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3bgr h VAL 254 Cb 1.28 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3bgr h VAL 254 CO 0.62 0.00 -0.08 -1.13 0.02 0.00 0.00 177.57 177.00 3bgr h ASN 255 N -0.18 -0.18 -0.96 0.57 -0.00 -1.83 -1.66 115.58 111.34 3bgr h ASN 255 Ca 0.21 -0.07 0.17 0.00 -0.00 0.00 0.00 56.30 56.62 3bgr h ASN 255 Cb 0.53 0.05 -0.10 0.00 -0.00 0.00 0.00 38.32 38.80 3bgr h ASN 255 CO -0.61 -0.05 0.56 0.44 -0.00 0.00 0.00 177.43 177.77 3bgr h ASP 256 N -0.30 0.72 0.31 1.15 3.32 -1.72 0.32 116.42 120.23 3bgr h ASP 256 Ca -0.02 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3bgr h ASP 256 Cb 0.23 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3bgr h ASP 256 CO 0.04 0.28 -0.15 0.40 -1.72 0.00 0.00 179.24 178.08 3bgr h ILE 257 N 0.74 0.63 -0.13 0.35 2.04 -0.83 -1.91 117.51 118.41 3bgr h ILE 257 Ca 0.54 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 3bgr h ILE 257 Cb 0.79 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3bgr h ILE 257 CO -0.37 0.12 -0.04 0.06 0.00 0.00 0.00 178.15 177.93 3bgr h GLN 258 N -0.84 0.18 0.00 2.37 3.07 -0.89 0.42 115.11 119.42 3bgr h GLN 258 Ca -0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.65 3bgr h GLN 258 Cb 0.52 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.04 3bgr h GLN 258 CO 0.07 0.24 -0.08 0.87 0.09 0.00 0.00 178.83 180.02 3bgr h LYS 259 N 0.18 0.00 0.00 0.06 1.57 -0.36 -0.60 116.57 117.42 3bgr h LYS 259 Ca 0.04 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.64 3bgr h LYS 259 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3bgr h LYS 259 CO 0.01 0.08 -0.89 1.25 -0.57 0.00 0.00 179.45 179.33 3bgr h LEU 260 N 0.00 0.00 0.70 2.94 5.85 0.62 -3.16 115.31 122.25 3bgr h LEU 260 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3bgr h LEU 260 Cb 0.52 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.56 3bgr h LEU 260 CO 0.01 0.89 -0.33 0.58 -0.34 0.00 0.00 178.44 179.24 3bgr h VAL 261 N 0.00 0.07 -0.80 1.05 2.07 0.32 -2.38 116.25 116.59 3bgr h VAL 261 Ca -0.01 -0.30 0.19 0.00 0.82 0.00 0.00 66.70 67.40 3bgr h VAL 261 Cb 1.65 0.09 -0.14 0.00 -1.52 0.00 0.00 31.29 31.38 3bgr h VAL 261 CO 0.12 0.01 0.03 1.23 0.02 0.00 0.00 177.57 178.98 3bgr h GLY 262 N -1.21 0.94 0.96 2.17 0.00 -1.43 0.42 103.07 104.93 3bgr h GLY 262 Ca -0.10 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bgr h GLY 262 CO 0.16 -0.32 0.12 0.50 0.00 0.00 0.00 176.54 177.00 3bgr h LYS 263 N 0.11 0.28 -0.74 4.80 1.57 -1.55 0.20 116.57 121.23 3bgr h LYS 263 Ca 0.45 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.17 3bgr h LYS 263 Cb 0.82 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3bgr h LYS 263 CO -0.69 0.24 0.33 -0.07 -0.57 0.00 0.00 179.45 178.68 3bgr h LEU 264 N 0.24 0.98 -0.45 2.94 3.38 -0.51 0.12 115.31 122.02 3bgr h LEU 264 Ca 0.07 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3bgr h LEU 264 Cb 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3bgr h LEU 264 CO -0.01 0.85 -0.07 0.78 0.09 0.00 0.00 178.44 180.08 3bgr h ASN 265 N 1.06 0.83 -0.60 -0.43 2.35 0.16 0.17 115.58 119.12 3bgr h ASN 265 Ca 0.25 -0.34 -0.10 0.00 -0.55 0.00 0.00 56.30 55.56 3bgr h ASN 265 Cb 0.16 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3bgr h ASN 265 CO -0.03 0.98 -0.01 -0.25 -1.65 0.00 0.00 177.43 176.48 3bgr h TRP 266 N 0.67 1.16 0.00 1.19 2.91 -0.24 -2.93 115.95 118.71 3bgr h TRP 266 Ca 0.12 -0.20 -0.11 0.00 1.13 0.00 0.00 58.89 59.82 3bgr h TRP 266 Cb 0.59 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 28.93 3bgr h TRP 266 CO 0.05 1.03 -0.52 0.00 -1.03 0.00 0.00 178.44 177.96 3bgr h ALA 267 N 0.98 1.01 0.00 2.65 0.00 -0.58 -3.12 119.26 120.20 3bgr h ALA 267 Ca 0.17 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3bgr h ALA 267 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3bgr h ALA 267 CO 0.03 0.65 0.00 0.66 0.00 0.00 0.00 179.25 180.60 3bgr h SER 268 N 0.00 0.00 0.70 0.00 4.64 -0.47 0.62 113.55 119.04 3bgr h SER 268 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3bgr h SER 268 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3bgr h SER 268 CO 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 3bgr n GLN 269 N -2.62 0.01 0.00 4.77 10.64 -1.18 -2.70 117.38 126.30 3bgr n GLN 269 Ca -0.02 0.17 0.00 0.00 -1.83 0.00 0.00 57.00 55.32 3bgr n GLN 269 Cb 0.07 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 27.93 3bgr n GLN 269 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 3bgr n ILE 270 N -1.54 0.00 -2.85 -0.39 0.13 -0.27 0.52 119.36 114.97 3bgr n ILE 270 Ca 0.05 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.27 3bgr n ILE 270 Cb 0.24 -0.03 -0.04 0.00 -0.84 0.00 0.00 39.64 38.96 3bgr n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3bgr s TYR 271 N -0.96 3.01 0.76 9.51 1.51 0.20 -4.63 117.35 126.74 3bgr s TYR 271 Ca 0.00 0.52 -0.15 0.00 -1.01 0.00 0.00 57.07 56.43 3bgr s TYR 271 Cb 0.00 -3.74 0.02 0.00 -0.11 0.00 0.00 41.96 38.13 3bgr s TYR 271 CO 0.00 -0.94 0.93 -2.30 -1.11 0.00 0.00 175.55 172.13 3bgr n PRO 272 N 6.87 0.36 -1.22 -1.71 -0.02 -1.26 -3.78 135.00 134.24 3bgr n PRO 272 Ca 0.06 0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.62 3bgr n PRO 272 Cb 0.48 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 3bgr n PRO 272 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bgr n GLY 273 N 1.07 0.93 3.76 -1.23 0.00 -1.26 -4.94 105.19 103.51 3bgr n GLY 273 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3bgr n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bgr s ILE 274 N -1.76 2.37 0.01 -0.61 -1.09 -1.25 -5.02 121.20 113.86 3bgr s ILE 274 Ca 0.00 0.34 0.07 0.00 -2.23 0.00 0.00 60.65 58.83 3bgr s ILE 274 Cb 0.00 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 3bgr s ILE 274 CO 0.00 0.07 -0.21 -0.54 -1.23 0.00 0.00 174.94 173.03 3bgr s LYS 275 N -1.23 2.08 0.00 2.79 1.02 -1.26 -4.97 119.74 118.18 3bgr s LYS 275 Ca 0.56 -0.96 0.03 0.00 0.02 0.00 0.00 55.97 55.63 3bgr s LYS 275 Cb -0.44 -2.13 0.06 0.00 -0.52 0.00 0.00 37.83 34.79 3bgr s LYS 275 CO 0.52 0.55 0.92 1.33 -0.92 0.00 0.00 175.35 177.75 3bgr n VAL 276 N 1.92 0.00 -0.03 3.17 0.24 -1.26 -4.91 118.33 117.46 3bgr n VAL 276 Ca -0.16 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.34 61.86 3bgr n VAL 276 Cb 0.52 0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 33.24 3bgr n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3bgr h ARG 277 N 0.13 0.11 -0.09 7.34 1.12 -1.96 -2.51 114.38 118.53 3bgr h ARG 277 Ca -0.06 -0.10 -0.10 0.00 -1.11 0.00 0.00 59.98 58.62 3bgr h ARG 277 Cb 1.38 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.37 3bgr h ARG 277 CO -0.00 0.80 -0.33 1.96 -3.11 0.00 0.00 179.97 179.30 3bgr h GLN 278 N -0.55 0.37 0.00 0.20 1.08 -1.94 0.25 115.11 114.53 3bgr h GLN 278 Ca -0.01 -0.29 -0.03 0.00 -1.45 0.00 0.00 58.65 56.88 3bgr h GLN 278 Cb 0.84 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.32 3bgr h GLN 278 CO 0.03 0.92 -0.12 -0.07 -0.95 0.00 0.00 178.83 178.63 3bgr h LEU 279 N -0.09 0.00 0.00 1.46 3.38 -1.90 -1.67 115.31 116.49 3bgr h LEU 279 Ca -0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 3bgr h LEU 279 Cb 0.96 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 3bgr h LEU 279 CO 0.07 0.12 -1.64 -1.20 0.09 0.00 0.00 178.44 175.88 3bgr n SER 280 N -3.99 0.82 -0.25 -0.43 7.64 -0.94 -4.17 113.62 112.30 3bgr n SER 280 Ca -0.02 0.38 0.04 0.00 1.01 0.00 0.00 58.87 60.28 3bgr n SER 280 Cb 0.21 0.08 0.17 0.00 -1.01 0.00 0.00 64.21 63.65 3bgr n SER 280 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3bgr h LYS 281 N 0.00 0.48 0.00 1.43 3.64 0.48 -2.15 116.57 120.45 3bgr h LYS 281 Ca -0.25 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3bgr h LYS 281 Cb 1.87 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 3bgr h LYS 281 CO 0.06 0.32 0.00 -0.07 -2.27 0.00 0.00 179.45 177.49 3bgr h LEU 282 N 0.49 0.00 -4.27 5.20 3.38 -1.68 -3.34 115.31 115.10 3bgr h LEU 282 Ca 0.39 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.67 3bgr h LEU 282 Cb 0.54 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.00 3bgr h LEU 282 CO -0.36 0.00 0.78 0.18 0.09 0.00 0.00 178.44 179.13 3bgr n LEU 283 N -2.45 7.41 -4.16 1.67 4.77 -0.81 -4.86 117.00 118.56 3bgr n LEU 283 Ca 0.00 -4.49 -0.38 0.00 -0.03 0.00 0.00 56.01 51.11 3bgr n LEU 283 Cb 0.17 -0.95 -0.10 0.00 -2.33 0.00 0.00 43.42 40.21 3bgr n LEU 283 CO 0.18 1.61 -0.09 -0.60 -1.33 0.00 0.00 177.39 177.16 3bgr s ARG 284 N -3.87 2.25 0.00 3.23 6.06 -1.26 -4.38 118.95 120.98 3bgr s ARG 284 Ca 0.60 -1.83 0.00 0.00 -2.50 0.00 0.00 55.73 52.00 3bgr s ARG 284 Cb 0.48 -3.75 0.00 0.00 0.06 0.00 0.00 34.95 31.74 3bgr s ARG 284 CO -0.12 -1.13 0.00 0.41 -2.50 0.00 0.00 175.30 171.95 3bgr n GLY 285 N 4.69 0.62 2.93 8.12 0.00 -1.26 -5.13 105.19 115.16 3bgr n GLY 285 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3bgr n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bgr s THR 286 N -0.66 2.44 -0.11 2.61 -4.23 -1.26 -4.75 115.64 109.68 3bgr s THR 286 Ca 0.00 -3.16 0.21 0.00 -1.18 0.00 0.00 61.69 57.56 3bgr s THR 286 Cb 0.00 -2.70 -0.22 0.00 1.34 0.00 0.00 72.50 70.91 3bgr s THR 286 CO 0.00 -0.79 0.60 0.29 -0.54 0.00 0.00 174.62 174.18 3bgr n LYS 287 N 3.25 0.65 -3.49 3.99 4.76 -1.26 -4.78 118.16 121.27 3bgr n LYS 287 Ca 0.05 -0.05 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 3bgr n LYS 287 Cb 0.33 -1.63 -0.06 0.00 -1.84 0.00 0.00 35.03 31.83 3bgr n LYS 287 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bgr s ALA 288 N -3.28 3.61 -0.43 7.82 0.00 -1.26 -5.01 121.76 123.21 3bgr s ALA 288 Ca -0.06 -0.34 0.13 0.00 0.00 0.00 0.00 51.96 51.70 3bgr s ALA 288 Cb 0.11 -2.43 -0.16 0.00 0.00 0.00 0.00 23.12 20.64 3bgr s ALA 288 CO 0.86 0.20 0.47 1.28 0.00 0.00 0.00 175.76 178.58 3bgr n LEU 289 N 3.04 0.43 -0.36 0.00 4.77 -1.26 -4.56 117.00 119.06 3bgr n LEU 289 Ca -0.12 -0.35 0.14 0.00 -0.03 0.00 0.00 56.01 55.66 3bgr n LEU 289 Cb 0.52 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 42.22 3bgr n LEU 289 CO 0.39 0.11 0.92 0.35 -1.33 0.00 0.00 177.39 177.83 3bgr n THR 290 N -1.51 0.02 -1.74 -5.08 -2.24 -1.26 -2.54 114.28 99.94 3bgr n THR 290 Ca 0.01 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 3bgr n THR 290 Cb 0.25 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 3bgr n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3bgr s GLU 291 N -1.98 3.15 -0.99 -0.78 2.12 -1.26 -4.78 118.70 114.18 3bgr s GLU 291 Ca 0.39 1.80 -0.24 0.00 0.36 0.00 0.00 54.97 57.28 3bgr s GLU 291 Cb 0.21 -4.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.22 3bgr s GLU 291 CO 0.33 -2.08 1.92 0.08 -0.54 0.00 0.00 175.26 174.98 3bgr s VAL 292 N 8.01 3.50 0.03 3.70 1.01 -1.26 -2.37 120.40 133.02 3bgr s VAL 292 Ca 0.93 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 62.15 3bgr s VAL 292 Cb -0.29 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 3bgr s VAL 292 CO 0.34 -1.01 0.59 -0.63 0.00 0.00 0.00 175.10 174.38 3bgr s ILE 293 N 10.07 4.83 0.39 2.22 1.01 -0.97 -4.98 121.20 133.77 3bgr s ILE 293 Ca 0.68 1.24 -0.24 0.00 0.00 0.00 0.00 60.65 62.33 3bgr s ILE 293 Cb -0.05 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.42 3bgr s ILE 293 CO 0.03 0.48 1.07 -2.84 0.00 0.00 0.00 174.94 173.68 3bgr s PRO 294 N -0.60 4.16 -0.35 2.79 0.02 -1.26 -4.53 135.00 135.23 3bgr s PRO 294 Ca 0.30 1.59 -0.17 0.00 0.02 0.00 0.00 61.00 62.74 3bgr s PRO 294 Cb -0.19 -2.60 -0.00 0.00 0.02 0.00 0.00 34.50 31.73 3bgr s PRO 294 CO 0.18 -0.16 0.45 -0.51 -0.33 0.00 0.00 177.00 176.63 3bgr s LEU 295 N -2.56 4.43 0.62 -5.54 1.02 -1.26 -5.05 118.68 110.34 3bgr s LEU 295 Ca 0.57 -0.17 -0.19 0.00 0.02 0.00 0.00 54.13 54.37 3bgr s LEU 295 Cb -0.24 -2.48 -0.03 0.00 0.02 0.00 0.00 46.19 43.46 3bgr s LEU 295 CO 0.30 -0.44 1.19 0.35 0.02 0.00 0.00 176.35 177.77 3bgr n THR 296 N 5.37 4.38 0.25 5.49 -2.24 -1.26 -4.71 114.28 121.56 3bgr n THR 296 Ca -0.06 -0.50 0.10 0.00 -2.27 0.00 0.00 64.05 61.31 3bgr n THR 296 Cb 0.49 -1.40 0.51 0.00 -2.10 0.00 0.00 70.33 67.83 3bgr n THR 296 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3bgr h GLU 297 N 0.65 0.00 -0.00 -0.78 4.39 -2.00 0.16 114.58 117.00 3bgr h GLU 297 Ca -0.50 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.20 3bgr h GLU 297 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 3bgr h GLU 297 CO 0.53 0.00 -0.01 0.93 -1.16 0.00 0.00 179.01 179.30 3bgr h GLU 298 N 0.00 0.01 -0.80 2.33 3.07 -2.00 -3.03 114.58 114.16 3bgr h GLU 298 Ca 0.00 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.90 3bgr h GLU 298 Cb 0.77 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.62 3bgr h GLU 298 CO 0.00 0.66 0.50 0.00 -1.40 0.00 0.00 179.01 178.77 3bgr h ALA 299 N 0.35 1.08 -0.91 3.43 0.00 -1.00 -1.02 119.26 121.19 3bgr h ALA 299 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3bgr h ALA 299 Cb 0.66 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3bgr h ALA 299 CO 0.00 0.26 0.60 0.93 0.00 0.00 0.00 179.25 181.04 3bgr h GLU 300 N 0.93 1.18 -0.25 0.00 4.39 -1.57 0.29 114.58 119.55 3bgr h GLU 300 Ca 0.34 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.83 3bgr h GLU 300 Cb 0.11 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 3bgr h GLU 300 CO -0.15 0.78 -0.42 1.25 -1.16 0.00 0.00 179.01 179.30 3bgr h LEU 301 N 1.21 0.64 -0.26 1.33 5.85 -1.27 -1.18 115.31 121.63 3bgr h LEU 301 Ca 0.34 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 3bgr h LEU 301 Cb -0.11 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 3bgr h LEU 301 CO -0.08 0.98 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.74 3bgr h GLU 302 N 0.49 0.59 -0.18 1.25 4.81 -0.60 -1.82 114.58 119.12 3bgr h GLU 302 Ca 0.04 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 58.92 3bgr h GLU 302 Cb 0.94 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 3bgr h GLU 302 CO 0.08 0.86 -0.19 1.25 -0.73 0.00 0.00 179.01 180.28 3bgr h LEU 303 N 0.31 0.29 -0.61 1.64 5.85 -0.37 -0.10 115.31 122.33 3bgr h LEU 303 Ca 0.05 -0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 3bgr h LEU 303 Cb 0.72 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3bgr h LEU 303 CO 0.05 0.51 -0.46 0.00 -0.34 0.00 0.00 178.44 178.20 3bgr h ALA 304 N 1.53 0.78 0.00 1.25 0.00 -1.09 -0.84 119.26 120.89 3bgr h ALA 304 Ca 0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3bgr h ALA 304 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3bgr h ALA 304 CO 0.03 0.66 -0.10 0.93 0.00 0.00 0.00 179.25 180.78 3bgr h GLU 305 N 0.46 0.00 0.14 0.00 5.08 -0.71 -2.88 114.58 116.66 3bgr h GLU 305 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3bgr h GLU 305 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3bgr h GLU 305 CO 0.09 0.10 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.22 3bgr h ASN 306 N 0.00 -0.16 -0.80 1.42 -0.26 -0.35 -3.12 115.58 112.31 3bgr h ASN 306 Ca -0.00 0.01 0.19 0.00 -0.56 0.00 0.00 56.30 55.94 3bgr h ASN 306 Cb 0.77 0.04 -0.13 0.00 -1.06 0.00 0.00 38.32 37.95 3bgr h ASN 306 CO 0.01 0.21 0.17 0.03 -1.06 0.00 0.00 177.43 176.79 3bgr h ARG 307 N -0.82 0.21 -0.23 0.81 3.08 -1.26 0.27 114.38 116.44 3bgr h ARG 307 Ca -0.02 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.08 3bgr h ARG 307 Cb 0.14 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 3bgr h ARG 307 CO 0.03 0.14 -0.19 1.49 -1.07 0.00 0.00 179.97 180.37 3bgr h GLU 308 N 0.22 -0.19 -0.00 0.04 4.57 -1.63 0.16 114.58 117.74 3bgr h GLU 308 Ca 0.47 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.63 3bgr h GLU 308 Cb 0.87 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 3bgr h GLU 308 CO -0.60 -0.13 -0.15 0.82 -1.18 0.00 0.00 179.01 177.78 3bgr h ILE 309 N -0.20 1.11 0.00 2.32 1.08 -0.95 -1.66 117.51 119.21 3bgr h ILE 309 Ca 0.13 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3bgr h ILE 309 Cb 0.40 1.27 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 3bgr h ILE 309 CO -0.34 0.15 -0.03 0.18 -0.69 0.00 0.00 178.15 177.41 3bgr n LEU 310 N -4.36 0.62 -0.03 1.44 4.77 0.02 -4.10 117.00 115.34 3bgr n LEU 310 Ca -0.03 0.54 -0.05 0.00 -0.03 0.00 0.00 56.01 56.44 3bgr n LEU 310 Cb 0.22 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 3bgr n LEU 310 CO 0.36 -0.13 0.50 0.50 -1.33 0.00 0.00 177.39 177.29 3bgr h LYS 311 N 0.00 -0.16 -6.37 3.23 3.64 0.22 -3.40 116.57 113.72 3bgr h LYS 311 Ca 0.00 0.01 -0.54 0.00 -1.27 0.00 0.00 60.65 58.85 3bgr h LYS 311 Cb 0.68 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 3bgr h LYS 311 CO 0.00 -0.11 0.21 -1.83 -2.27 0.00 0.00 179.45 175.46 3bgr s GLU 312 N -3.96 4.55 0.31 1.90 4.04 -1.26 -5.03 118.70 119.25 3bgr s GLU 312 Ca -0.05 1.17 -0.29 0.00 0.04 0.00 0.00 54.97 55.84 3bgr s GLU 312 Cb 0.03 -3.37 -0.10 0.00 0.02 0.00 0.00 34.13 30.71 3bgr s GLU 312 CO 0.22 0.26 1.29 -2.14 -1.84 0.00 0.00 175.26 173.06 3bgr s PRO 313 N -0.04 4.38 -0.04 -4.83 0.02 -1.26 -5.02 135.00 128.21 3bgr s PRO 313 Ca 0.41 2.16 0.05 0.00 0.02 0.00 0.00 61.00 63.64 3bgr s PRO 313 Cb -0.21 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 3bgr s PRO 313 CO 0.25 -0.17 -0.19 0.08 -0.33 0.00 0.00 177.00 176.64 3bgr s VAL 314 N -0.94 1.58 0.18 3.83 1.01 -1.26 -5.14 120.40 119.66 3bgr s VAL 314 Ca 0.50 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.77 3bgr s VAL 314 Cb -0.39 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3bgr s VAL 314 CO 0.50 0.45 -0.19 -1.00 0.00 0.00 0.00 175.10 174.86 3bgr s HIS 315 N -0.06 2.43 0.14 5.22 3.76 -1.26 -4.73 115.29 120.78 3bgr s HIS 315 Ca -0.02 -0.31 0.07 0.00 -0.15 0.00 0.00 55.06 54.65 3bgr s HIS 315 Cb -0.12 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 3bgr s HIS 315 CO 0.02 0.48 -0.06 0.20 -0.85 0.00 0.00 174.74 174.53 3bgr s GLY 316 N -2.62 1.77 0.66 -2.22 0.00 0.71 -4.77 107.32 100.84 3bgr s GLY 316 Ca 0.21 -1.32 -0.02 0.00 0.00 0.00 0.00 44.72 43.59 3bgr s GLY 316 CO 0.11 -1.32 0.93 -1.34 0.00 0.00 0.00 173.10 171.48 3bgr s VAL 317 N -1.47 2.38 0.60 1.40 -7.23 -0.08 -1.04 120.40 114.95 3bgr s VAL 317 Ca 0.24 -0.51 -0.01 0.00 -1.81 0.00 0.00 61.98 59.90 3bgr s VAL 317 Cb -0.10 -2.87 0.05 0.00 0.56 0.00 0.00 36.38 34.02 3bgr s VAL 317 CO 0.16 0.00 0.85 -0.31 -0.31 0.00 0.00 175.10 175.49 3bgr s TYR 318 N -3.05 2.74 0.02 2.82 4.12 -1.26 -4.56 117.35 118.18 3bgr s TYR 318 Ca 0.61 0.06 -0.22 0.00 0.02 0.00 0.00 57.07 57.54 3bgr s TYR 318 Cb -0.09 -2.88 -0.05 0.00 -1.52 0.00 0.00 41.96 37.42 3bgr s TYR 318 CO 0.42 -1.08 0.66 -0.47 0.02 0.00 0.00 175.55 175.10 3bgr s TYR 319 N -2.91 3.71 -0.30 2.71 5.04 0.43 -4.95 117.35 121.08 3bgr s TYR 319 Ca 0.59 1.31 0.03 0.00 -2.44 0.00 0.00 57.07 56.55 3bgr s TYR 319 Cb -0.10 -2.68 0.08 0.00 0.35 0.00 0.00 41.96 39.61 3bgr s TYR 319 CO 0.40 0.34 -0.02 0.34 -1.34 0.00 0.00 175.55 175.27 3bgr s ASP 320 N -0.20 4.65 0.31 4.32 2.15 -1.26 -4.41 116.67 122.23 3bgr s ASP 320 Ca 0.34 -1.73 0.18 0.00 0.43 0.00 0.00 52.55 51.77 3bgr s ASP 320 Cb -0.19 -1.61 1.00 0.00 -0.30 0.00 0.00 42.92 41.82 3bgr s ASP 320 CO 0.19 -0.29 1.53 -2.65 -0.17 0.00 0.00 175.17 173.78 3bgr n PRO 321 N 4.38 0.12 0.14 4.34 -0.02 -1.26 -2.24 135.00 140.46 3bgr n PRO 321 Ca -0.06 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 3bgr n PRO 321 Cb 0.42 -1.99 0.16 0.00 -0.02 0.00 0.00 33.50 32.06 3bgr n PRO 321 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bgr h SER 322 N 0.00 0.00 -2.29 2.55 4.64 -2.05 -3.46 113.55 112.94 3bgr h SER 322 Ca 0.00 -0.04 -0.52 0.00 -0.47 0.00 0.00 61.79 60.76 3bgr h SER 322 Cb 0.19 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.22 3bgr h SER 322 CO 0.00 0.02 -0.55 -0.54 -0.87 0.00 0.00 176.83 174.89 3bgr s LYS 323 N -3.23 2.85 1.08 4.77 1.02 -0.95 -5.11 119.74 120.16 3bgr s LYS 323 Ca 0.05 -1.06 -0.12 0.00 0.02 0.00 0.00 55.97 54.86 3bgr s LYS 323 Cb 0.09 -2.53 0.23 0.00 -0.52 0.00 0.00 37.83 35.10 3bgr s LYS 323 CO 0.70 0.41 1.06 -0.51 -0.92 0.00 0.00 175.35 176.09 3bgr s ASP 324 N -3.69 1.75 -0.11 2.83 1.01 -1.26 -4.93 116.67 112.26 3bgr s ASP 324 Ca 0.32 1.54 0.03 0.00 0.71 0.00 0.00 52.55 55.16 3bgr s ASP 324 Cb -0.08 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.61 3bgr s ASP 324 CO 0.24 -3.73 -0.23 -0.22 0.21 0.00 0.00 175.17 171.44 3bgr s LEU 325 N -6.91 2.12 -0.01 1.23 2.96 -1.26 -4.35 118.68 112.46 3bgr s LEU 325 Ca 0.67 -0.56 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 3bgr s LEU 325 Cb -0.23 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 3bgr s LEU 325 CO 0.62 0.14 -0.15 -0.63 -1.32 0.00 0.00 176.35 175.01 3bgr s ILE 326 N 0.48 1.15 -0.09 6.68 1.01 0.12 -0.90 121.20 129.65 3bgr s ILE 326 Ca -0.15 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3bgr s ILE 326 Cb -0.17 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.35 3bgr s ILE 326 CO 0.06 0.33 -0.13 0.00 0.00 0.00 0.00 174.94 175.19 3bgr s ALA 327 N -0.34 1.45 -0.07 9.38 0.00 0.12 -0.42 121.76 131.88 3bgr s ALA 327 Ca 0.06 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.50 3bgr s ALA 327 Cb -0.06 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 3bgr s ALA 327 CO -0.01 -0.02 -0.19 -2.00 0.00 0.00 0.00 175.76 173.55 3bgr s GLU 328 N 0.90 2.70 0.14 0.00 2.12 0.43 -0.66 118.70 124.34 3bgr s GLU 328 Ca -0.09 -0.79 0.11 0.00 0.36 0.00 0.00 54.97 54.56 3bgr s GLU 328 Cb -0.15 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 3bgr s GLU 328 CO 0.01 0.43 -0.25 0.42 -0.54 0.00 0.00 175.26 175.33 3bgr s ILE 329 N -0.26 2.17 0.00 -3.70 1.01 -1.07 -1.33 121.20 118.03 3bgr s ILE 329 Ca 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 60.65 58.88 3bgr s ILE 329 Cb -0.13 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 3bgr s ILE 329 CO 0.03 0.01 -0.04 -1.10 0.00 0.00 0.00 174.94 173.83 3bgr s GLN 330 N -2.18 0.35 0.00 2.79 1.11 0.37 -4.31 119.66 117.80 3bgr s GLN 330 Ca 0.14 -0.25 -0.28 0.00 0.01 0.00 0.00 55.36 54.98 3bgr s GLN 330 Cb -0.09 -0.29 -0.04 0.00 -1.01 0.00 0.00 33.01 31.58 3bgr s GLN 330 CO 0.06 0.07 0.89 0.21 0.01 0.00 0.00 175.29 176.53 3bgr s LYS 331 N -0.38 4.54 0.00 2.91 2.20 -1.26 -1.19 119.74 126.56 3bgr s LYS 331 Ca -0.01 1.25 0.13 0.00 -0.36 0.00 0.00 55.97 56.99 3bgr s LYS 331 Cb -0.03 -3.44 -0.09 0.00 -1.51 0.00 0.00 37.83 32.76 3bgr s LYS 331 CO -0.00 0.05 0.64 1.04 -0.36 0.00 0.00 175.35 176.72 3bgr n GLN 332 N 3.61 2.34 0.00 4.03 6.02 0.22 -4.70 117.38 128.90 3bgr n GLN 332 Ca 0.03 -0.26 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 3bgr n GLN 332 Cb 0.51 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.61 3bgr n GLN 332 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bgr n GLY 333 N 1.22 1.47 3.82 1.08 0.00 -1.18 -4.85 105.19 106.76 3bgr n GLY 333 Ca 0.04 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 3bgr n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bgr n GLN 334 N 1.40 -4.64 -2.26 1.61 3.00 -1.26 -1.24 117.38 113.99 3bgr n GLN 334 Ca 0.00 0.56 -0.19 0.00 -0.01 0.00 0.00 57.00 57.36 3bgr n GLN 334 Cb 0.00 -5.11 -0.02 0.00 0.00 0.00 0.00 30.24 25.12 3bgr n GLN 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3bgr n GLY 335 N -1.68 -0.12 3.46 1.08 0.00 -1.26 -4.87 105.19 101.80 3bgr n GLY 335 Ca -0.22 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 3bgr n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bgr s GLN 336 N -4.77 2.53 0.02 1.61 -0.21 -0.37 -1.03 119.66 117.43 3bgr s GLN 336 Ca 0.00 -0.71 0.01 0.00 0.02 0.00 0.00 55.36 54.69 3bgr s GLN 336 Cb 0.00 -2.37 -0.01 0.00 1.00 0.00 0.00 33.01 31.62 3bgr s GLN 336 CO 0.00 0.60 -0.05 -1.58 -2.12 0.00 0.00 175.29 172.14 3bgr s TRP 337 N -0.67 0.44 0.10 0.91 0.52 -0.10 0.73 118.94 120.89 3bgr s TRP 337 Ca 0.10 -0.30 0.07 0.00 0.02 0.00 0.00 56.10 55.99 3bgr s TRP 337 Cb -0.11 -0.28 -0.03 0.00 -1.15 0.00 0.00 33.47 31.90 3bgr s TRP 337 CO 0.01 -0.06 -0.18 -0.08 0.02 0.00 0.00 176.95 176.65 3bgr s THR 338 N -0.78 1.52 0.06 2.01 -1.32 -0.33 -0.12 115.64 116.67 3bgr s THR 338 Ca -0.06 -1.55 -0.09 0.00 -1.21 0.00 0.00 61.69 58.79 3bgr s THR 338 Cb -0.06 -1.46 0.00 0.00 -1.51 0.00 0.00 72.50 69.47 3bgr s THR 338 CO -0.00 -0.18 0.19 -0.72 -2.21 0.00 0.00 174.62 171.71 3bgr s TYR 339 N -1.41 0.09 -0.01 9.09 -0.85 0.65 -0.48 117.35 124.43 3bgr s TYR 339 Ca 0.06 -0.39 0.03 0.00 -0.52 0.00 0.00 57.07 56.24 3bgr s TYR 339 Cb -0.09 -0.04 -0.01 0.00 0.38 0.00 0.00 41.96 42.21 3bgr s TYR 339 CO 0.04 -0.47 -0.09 -0.65 -1.52 0.00 0.00 175.55 172.86 3bgr s GLN 340 N -3.07 0.71 -0.16 -3.49 1.11 -0.44 -0.72 119.66 113.61 3bgr s GLN 340 Ca -0.01 -0.32 0.01 0.00 0.01 0.00 0.00 55.36 55.05 3bgr s GLN 340 Cb 0.01 -0.69 0.01 0.00 -1.01 0.00 0.00 33.01 31.33 3bgr s GLN 340 CO -0.07 0.19 -0.17 0.42 0.01 0.00 0.00 175.29 175.67 3bgr s ILE 341 N -0.21 2.41 0.28 1.08 1.01 -0.53 -0.43 121.20 124.81 3bgr s ILE 341 Ca 0.03 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 3bgr s ILE 341 Cb -0.03 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 3bgr s ILE 341 CO -0.00 0.52 0.41 -0.72 0.00 0.00 0.00 174.94 175.15 3bgr s TYR 342 N 0.97 0.80 -0.02 3.97 -0.85 0.45 -0.47 117.35 122.19 3bgr s TYR 342 Ca -0.03 -1.08 0.01 0.00 -0.52 0.00 0.00 57.07 55.46 3bgr s TYR 342 Cb -0.15 -0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.10 3bgr s TYR 342 CO -0.04 -0.98 0.00 1.04 -1.52 0.00 0.00 175.55 174.05 3bgr n GLN 343 N -0.43 3.28 -4.70 -3.49 6.02 -1.26 0.12 117.38 116.92 3bgr n GLN 343 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.75 3bgr n GLN 343 Cb 0.63 -1.05 -0.16 0.00 1.02 0.00 0.00 30.24 30.68 3bgr n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3bgr s GLU 344 N -2.05 1.62 0.22 -1.09 2.02 -1.26 -4.74 118.70 113.41 3bgr s GLU 344 Ca -0.01 -0.51 -0.31 0.00 0.02 0.00 0.00 54.97 54.16 3bgr s GLU 344 Cb 0.01 -1.40 -0.15 0.00 0.10 0.00 0.00 34.13 32.69 3bgr s GLU 344 CO 0.07 0.17 1.15 -0.35 0.02 0.00 0.00 175.26 176.33 3bgr n PRO 345 N 3.31 1.35 -0.93 0.39 -0.04 -1.26 -1.71 135.00 136.13 3bgr n PRO 345 Ca -0.19 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 3bgr n PRO 345 Cb 0.53 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 3bgr n PRO 345 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3bgr n PHE 346 N 1.18 0.00 -3.74 0.54 0.99 -1.26 -4.94 117.46 110.22 3bgr n PHE 346 Ca 0.13 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.30 3bgr n PHE 346 Cb 0.28 -0.18 -0.12 0.00 -1.00 0.00 0.00 39.48 38.46 3bgr n PHE 346 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3bgr s LYS 347 N -0.12 1.92 0.49 -1.08 1.02 -0.69 -5.11 119.74 116.17 3bgr s LYS 347 Ca 0.00 -2.87 -0.21 0.00 0.02 0.00 0.00 55.97 52.90 3bgr s LYS 347 Cb 0.00 -2.77 -0.07 0.00 -0.52 0.00 0.00 37.83 34.47 3bgr s LYS 347 CO 0.00 -1.30 1.13 -0.80 -0.92 0.00 0.00 175.35 173.46 3bgr s ASN 348 N -0.85 6.06 -0.06 2.83 0.01 -1.26 -4.24 114.94 117.44 3bgr s ASN 348 Ca 0.26 2.20 -0.13 0.00 -0.71 0.00 0.00 52.86 54.48 3bgr s ASN 348 Cb -0.04 -2.59 -0.30 0.00 0.41 0.00 0.00 41.25 38.72 3bgr s ASN 348 CO -0.16 -0.99 0.67 -0.07 -1.51 0.00 0.00 177.10 175.05 3bgr h LEU 349 N 1.72 0.58 -7.49 0.60 3.38 -1.02 -0.19 115.31 112.89 3bgr h LEU 349 Ca -0.50 -0.92 0.18 0.00 0.09 0.00 0.00 57.88 56.74 3bgr h LEU 349 Cb 1.25 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 3bgr h LEU 349 CO 0.59 1.73 0.53 -1.59 0.09 0.00 0.00 178.44 179.79 3bgr s LYS 350 N -2.55 1.03 0.40 1.13 -2.85 -1.18 -4.19 119.74 111.54 3bgr s LYS 350 Ca -0.16 -0.54 0.03 0.00 -1.00 0.00 0.00 55.97 54.30 3bgr s LYS 350 Cb 0.05 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 3bgr s LYS 350 CO 0.84 -0.47 0.09 0.95 0.10 0.00 0.00 175.35 176.86 3bgr s THR 351 N -3.15 0.90 0.02 3.79 -4.23 0.19 -1.45 115.64 111.71 3bgr s THR 351 Ca 0.11 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.35 3bgr s THR 351 Cb -0.01 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.46 3bgr s THR 351 CO -0.01 0.00 1.24 -0.83 -0.54 0.00 0.00 174.62 174.48 3bgr s GLY 352 N -3.62 -0.11 0.15 3.99 0.00 0.10 -3.99 107.32 103.84 3bgr s GLY 352 Ca 0.25 0.03 -0.07 0.00 0.00 0.00 0.00 44.72 44.93 3bgr s GLY 352 CO 0.13 4.45 0.22 -1.59 0.00 0.00 0.00 173.10 176.31 3bgr s LYS 353 N -2.10 1.07 -0.02 2.90 -2.85 -1.26 -0.26 119.74 117.22 3bgr s LYS 353 Ca 0.26 -1.22 -0.03 0.00 -1.00 0.00 0.00 55.97 53.99 3bgr s LYS 353 Cb -0.00 0.34 0.01 0.00 -2.06 0.00 0.00 37.83 36.11 3bgr s LYS 353 CO 0.00 -0.37 0.07 -0.47 0.10 0.00 0.00 175.35 174.68 3bgr s TYR 354 N -3.98 -0.06 -0.04 1.78 5.04 0.83 -4.97 117.35 115.96 3bgr s TYR 354 Ca 0.18 0.15 0.06 0.00 -2.44 0.00 0.00 57.07 55.02 3bgr s TYR 354 Cb 0.04 0.01 -0.02 0.00 0.35 0.00 0.00 41.96 42.35 3bgr s TYR 354 CO -0.01 -0.06 -0.24 0.00 -1.34 0.00 0.00 175.55 173.91 3bgr s ALA 355 N -0.09 2.23 0.58 3.97 0.00 -1.26 -0.92 121.76 126.27 3bgr s ALA 355 Ca -0.01 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 50.68 3bgr s ALA 355 Cb -0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 3bgr s ALA 355 CO 0.00 0.48 1.04 2.89 0.00 0.00 0.00 175.76 180.16 3bgr n ARG 356 N 2.67 1.05 -2.29 0.00 1.85 -0.20 -4.94 116.66 114.80 3bgr n ARG 356 Ca -0.17 0.40 -0.34 0.00 -1.00 0.00 0.00 57.85 56.74 3bgr n ARG 356 Cb 0.52 -2.23 -0.01 0.00 -1.05 0.00 0.00 32.46 29.69 3bgr n ARG 356 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 3bgr s MET 357 N -2.74 3.46 0.23 2.89 -1.94 -1.26 -4.96 119.30 114.98 3bgr s MET 357 Ca 0.74 1.46 -0.30 0.00 -1.71 0.00 0.00 55.69 55.88 3bgr s MET 357 Cb -0.43 -2.03 -0.10 0.00 2.01 0.00 0.00 34.83 34.28 3bgr s MET 357 CO 0.48 -0.73 1.39 1.03 -0.01 0.00 0.00 175.02 177.18 3bgr s ARG 358 N -3.42 4.31 -0.03 2.03 0.52 -1.26 -4.96 118.95 116.14 3bgr s ARG 358 Ca 0.69 2.21 -0.30 0.00 -0.52 0.00 0.00 55.73 57.81 3bgr s ARG 358 Cb -0.20 -3.14 0.12 0.00 0.52 0.00 0.00 34.95 32.25 3bgr s ARG 358 CO 0.27 -0.36 1.31 0.20 0.02 0.00 0.00 175.30 176.74 3bgr s GLY 359 N 0.34 -0.39 -0.07 -3.53 0.00 -1.26 -5.06 107.32 97.36 3bgr s GLY 359 Ca 0.58 0.64 0.02 0.00 0.00 0.00 0.00 44.72 45.96 3bgr s GLY 359 CO 0.41 0.94 0.55 0.00 0.00 0.00 0.00 173.10 175.01 3bgr h ALA 360 N 2.00 0.56 -4.38 3.20 0.00 -1.97 -3.45 119.26 115.21 3bgr h ALA 360 Ca -0.30 -1.39 -0.60 0.00 0.00 0.00 0.00 54.91 52.62 3bgr h ALA 360 Cb 1.20 0.56 -0.29 0.00 0.00 0.00 0.00 17.79 19.26 3bgr h ALA 360 CO 0.29 1.41 -0.85 -1.01 0.00 0.00 0.00 179.25 179.09 3bgr s HIS 361 N -2.58 1.85 0.33 0.00 3.76 -1.26 -0.11 115.29 117.28 3bgr s HIS 361 Ca -0.13 -0.35 -0.05 0.00 -0.15 0.00 0.00 55.06 54.37 3bgr s HIS 361 Cb 0.07 -1.18 0.01 0.00 1.11 0.00 0.00 32.58 32.59 3bgr s HIS 361 CO 0.80 -0.02 0.50 -0.08 -0.85 0.00 0.00 174.74 175.10 3bgr s THR 362 N -0.52 0.00 -0.15 1.30 -1.32 -0.73 -5.02 115.64 109.19 3bgr s THR 362 Ca 0.08 -1.52 -0.13 0.00 -1.21 0.00 0.00 61.69 58.92 3bgr s THR 362 Cb -0.08 -2.59 0.04 0.00 -1.51 0.00 0.00 72.50 68.36 3bgr s THR 362 CO -0.00 0.00 0.40 0.21 -2.21 0.00 0.00 174.62 173.01 3bgr s ASN 363 N -3.18 -0.43 0.26 8.08 3.84 -1.26 -0.38 114.94 121.85 3bgr s ASN 363 Ca 0.28 0.82 -0.02 0.00 0.21 0.00 0.00 52.86 54.14 3bgr s ASN 363 Cb -0.01 0.79 0.50 0.00 -0.55 0.00 0.00 41.25 41.99 3bgr s ASN 363 CO 0.17 -0.15 1.76 0.44 -2.79 0.00 0.00 177.10 176.54 3bgr h ASP 364 N 5.91 0.51 -0.80 -4.21 5.19 -1.93 -2.21 116.42 118.88 3bgr h ASP 364 Ca -0.29 0.09 -0.04 0.00 -0.62 0.00 0.00 57.03 56.17 3bgr h ASP 364 Cb 1.18 0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.66 3bgr h ASP 364 CO 0.27 0.23 0.35 0.58 -3.12 0.00 0.00 179.24 177.55 3bgr h VAL 365 N 0.62 1.26 -0.50 -1.35 2.07 -1.98 0.92 116.25 117.30 3bgr h VAL 365 Ca 0.44 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 3bgr h VAL 365 Cb 0.60 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3bgr h VAL 365 CO -0.35 0.32 0.08 0.11 0.02 0.00 0.00 177.57 177.76 3bgr h LYS 366 N 1.16 0.77 -0.16 1.57 1.57 -1.84 -0.56 116.57 119.08 3bgr h LYS 366 Ca 0.27 -0.17 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 3bgr h LYS 366 Cb 0.17 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.38 3bgr h LYS 366 CO -0.03 0.73 -0.64 1.96 -0.57 0.00 0.00 179.45 180.90 3bgr h GLN 367 N 0.74 0.71 -0.63 3.15 4.20 -0.97 -1.64 115.11 120.68 3bgr h GLN 367 Ca 0.16 -0.55 0.03 0.00 0.06 0.00 0.00 58.65 58.35 3bgr h GLN 367 Cb 0.33 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 3bgr h GLN 367 CO 0.00 1.17 0.38 1.25 -0.67 0.00 0.00 178.83 180.96 3bgr h LEU 368 N 0.41 0.60 -0.64 1.46 5.85 -0.55 -0.54 115.31 121.90 3bgr h LEU 368 Ca -0.03 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3bgr h LEU 368 Cb 1.27 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3bgr h LEU 368 CO 0.13 0.41 0.34 0.74 -0.34 0.00 0.00 178.44 179.73 3bgr h THR 369 N 0.73 1.21 -0.66 1.05 2.02 -1.05 -0.98 112.91 115.23 3bgr h THR 369 Ca 0.26 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 3bgr h THR 369 Cb 0.06 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3bgr h THR 369 CO -0.12 0.23 0.14 -0.33 0.37 0.00 0.00 175.52 175.81 3bgr h GLU 370 N 0.88 1.08 -0.75 6.66 5.08 -0.61 -1.21 114.58 125.71 3bgr h GLU 370 Ca 0.22 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3bgr h GLU 370 Cb 0.07 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3bgr h GLU 370 CO -0.03 0.97 0.41 0.00 -1.00 0.00 0.00 179.01 179.36 3bgr h ALA 371 N 1.06 0.97 -0.25 3.43 0.00 -0.75 -0.68 119.26 123.03 3bgr h ALA 371 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3bgr h ALA 371 Cb 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3bgr h ALA 371 CO 0.01 0.48 0.16 0.28 0.00 0.00 0.00 179.25 180.18 3bgr h VAL 372 N 1.04 1.08 -0.51 0.00 2.07 -0.79 -0.70 116.25 118.44 3bgr h VAL 372 Ca 0.26 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.66 3bgr h VAL 372 Cb 0.04 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3bgr h VAL 372 CO -0.04 0.07 0.30 1.56 0.02 0.00 0.00 177.57 179.48 3bgr h GLN 373 N 0.34 0.57 -0.61 1.57 1.08 -0.79 0.31 115.11 117.58 3bgr h GLN 373 Ca 0.09 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3bgr h GLN 373 Cb -0.02 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 3bgr h GLN 373 CO -0.02 0.38 0.37 -0.22 -0.95 0.00 0.00 178.83 178.39 3bgr h LYS 374 N 0.59 0.83 -0.18 1.46 3.64 -0.77 -1.57 116.57 120.58 3bgr h LYS 374 Ca 0.21 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 3bgr h LYS 374 Cb 0.03 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3bgr h LYS 374 CO -0.10 0.60 -0.37 0.82 -2.27 0.00 0.00 179.45 178.13 3bgr h ILE 375 N 0.83 1.30 -0.27 2.00 2.04 -0.83 -2.24 117.51 120.33 3bgr h ILE 375 Ca 0.22 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 3bgr h ILE 375 Cb -0.01 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3bgr h ILE 375 CO -0.04 0.46 0.12 0.74 0.00 0.00 0.00 178.15 179.42 3bgr h THR 376 N 0.33 1.17 -0.53 -0.27 2.02 -0.38 0.40 112.91 115.65 3bgr h THR 376 Ca 0.03 -0.49 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 3bgr h THR 376 Cb 0.81 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3bgr h THR 376 CO 0.07 0.17 -0.05 0.74 0.37 0.00 0.00 175.52 176.81 3bgr h THR 377 N 0.30 1.27 -0.37 3.16 2.02 -1.19 -0.20 112.91 117.90 3bgr h THR 377 Ca 0.09 -1.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.01 3bgr h THR 377 Cb 0.16 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3bgr h THR 377 CO -0.01 0.42 -0.13 -0.08 0.37 0.00 0.00 175.52 176.09 3bgr h GLU 378 N 0.84 0.66 -0.08 6.66 4.81 -1.32 -1.04 114.58 125.10 3bgr h GLU 378 Ca 0.14 -0.21 -0.15 0.00 -0.13 0.00 0.00 59.36 59.01 3bgr h GLU 378 Cb 0.60 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3bgr h GLU 378 CO 0.04 0.76 -0.62 0.77 -0.73 0.00 0.00 179.01 179.23 3bgr h SER 379 N 0.60 0.34 -0.42 1.04 0.02 -0.52 -0.78 113.55 113.83 3bgr h SER 379 Ca 0.10 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 3bgr h SER 379 Cb 0.57 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 3bgr h SER 379 CO 0.04 0.87 0.00 0.40 -1.14 0.00 0.00 176.83 177.00 3bgr h ILE 380 N 0.22 1.26 0.27 3.27 1.08 -0.64 -0.12 117.51 122.85 3bgr h ILE 380 Ca -0.01 -1.02 -0.01 0.00 -0.39 0.00 0.00 64.86 63.43 3bgr h ILE 380 Cb 1.14 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 3bgr h ILE 380 CO 0.10 0.35 -0.13 0.58 -0.69 0.00 0.00 178.15 178.35 3bgr h VAL 381 N 0.57 0.72 -0.04 1.67 2.07 -0.90 -0.59 116.25 119.75 3bgr h VAL 381 Ca 0.12 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.42 3bgr h VAL 381 Cb 0.48 0.72 0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3bgr h VAL 381 CO 0.02 0.00 -0.85 0.40 0.02 0.00 0.00 177.57 177.16 3bgr h ILE 382 N -0.37 1.32 -0.00 4.57 2.04 -1.12 -3.39 117.51 120.56 3bgr h ILE 382 Ca -0.03 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.71 3bgr h ILE 382 Cb 0.29 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 3bgr h ILE 382 CO 0.05 0.65 -0.00 0.79 0.00 0.00 0.00 178.15 179.64 3bgr n TRP 383 N -3.98 0.00 -1.48 1.37 8.01 -0.08 -4.63 117.44 116.66 3bgr n TRP 383 Ca -0.10 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 55.98 3bgr n TRP 383 Cb 0.79 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 30.05 3bgr n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bgr n GLY 384 N 0.27 1.01 3.39 6.99 0.00 -0.23 -4.99 105.19 111.64 3bgr n GLY 384 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 3bgr n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bgr s LYS 385 N -3.22 1.21 -0.00 1.61 -2.85 -1.23 -4.94 119.74 110.32 3bgr s LYS 385 Ca 0.00 -0.51 -0.24 0.00 -1.00 0.00 0.00 55.97 54.22 3bgr s LYS 385 Cb 0.00 0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 36.27 3bgr s LYS 385 CO 0.00 -0.51 0.73 0.99 0.10 0.00 0.00 175.35 176.66 3bgr s THR 386 N -3.66 4.87 0.57 3.79 2.01 -1.26 -3.61 115.64 118.35 3bgr s THR 386 Ca 0.01 1.53 -0.09 0.00 0.31 0.00 0.00 61.69 63.45 3bgr s THR 386 Cb -0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 3bgr s THR 386 CO -0.12 0.32 0.95 -2.16 -0.69 0.00 0.00 174.62 172.92 3bgr s PRO 387 N 0.28 3.60 0.04 4.92 0.04 -1.26 -4.93 135.00 137.68 3bgr s PRO 387 Ca 0.38 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 3bgr s PRO 387 Cb -0.19 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 3bgr s PRO 387 CO 0.21 -0.43 0.95 0.15 0.04 0.00 0.00 177.00 177.92 3bgr s LYS 388 N -4.96 4.60 0.14 4.56 1.02 -0.08 -4.79 119.74 120.23 3bgr s LYS 388 Ca 0.53 1.39 -0.08 0.00 0.02 0.00 0.00 55.97 57.83 3bgr s LYS 388 Cb -0.11 -3.42 -0.06 0.00 -0.52 0.00 0.00 37.83 33.72 3bgr s LYS 388 CO 0.50 0.07 0.42 -0.06 -0.92 0.00 0.00 175.35 175.35 3bgr s PHE 389 N 0.58 3.50 -0.23 3.18 0.40 -1.03 0.12 117.98 124.51 3bgr s PHE 389 Ca 0.49 0.70 0.01 0.00 -0.60 0.00 0.00 56.93 57.53 3bgr s PHE 389 Cb -0.22 -2.11 0.05 0.00 0.51 0.00 0.00 43.02 41.26 3bgr s PHE 389 CO 0.28 0.43 -0.09 0.15 0.70 0.00 0.00 175.22 176.70 3bgr s LYS 390 N -2.42 1.93 0.10 0.44 1.02 0.17 -0.34 119.74 120.64 3bgr s LYS 390 Ca 0.39 -1.05 0.10 0.00 0.02 0.00 0.00 55.97 55.43 3bgr s LYS 390 Cb -0.13 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 3bgr s LYS 390 CO 0.22 -0.54 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.35 3bgr s LEU 391 N 1.31 2.27 -0.79 3.17 1.43 -0.15 -2.59 118.68 123.34 3bgr s LEU 391 Ca -0.05 -0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 52.30 3bgr s LEU 391 Cb -0.18 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 3bgr s LEU 391 CO -0.06 0.16 2.95 -0.81 0.23 0.00 0.00 176.35 178.81 3bgr n PRO 392 N 1.19 3.10 -3.74 1.29 -0.04 -1.26 -0.40 135.00 135.15 3bgr n PRO 392 Ca -0.18 -2.23 -0.13 0.00 -0.04 0.00 0.00 63.50 60.92 3bgr n PRO 392 Cb 0.53 -2.36 -0.14 0.00 -0.04 0.00 0.00 33.50 31.49 3bgr n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3bgr s ILE 393 N -0.21 -0.04 0.44 0.52 2.07 -1.26 -0.20 121.20 122.52 3bgr s ILE 393 Ca 0.62 0.16 -0.25 0.00 -1.41 0.00 0.00 60.65 59.77 3bgr s ILE 393 Cb 0.28 -0.31 -0.08 0.00 0.13 0.00 0.00 42.46 42.48 3bgr s ILE 393 CO -0.10 0.06 1.28 -1.10 -1.91 0.00 0.00 174.94 173.18 3bgr s GLN 394 N 1.16 3.78 0.27 3.50 -1.52 -1.26 -4.58 119.66 121.02 3bgr s GLN 394 Ca -0.09 2.09 -0.00 0.00 -1.95 0.00 0.00 55.36 55.41 3bgr s GLN 394 Cb -0.10 -2.60 0.57 0.00 -0.22 0.00 0.00 33.01 30.65 3bgr s GLN 394 CO -0.07 -0.62 1.76 0.87 -0.25 0.00 0.00 175.29 176.97 3bgr h LYS 395 N 2.34 0.59 -0.51 2.91 1.79 -1.99 -1.63 116.57 120.08 3bgr h LYS 395 Ca -0.50 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 57.87 3bgr h LYS 395 Cb 1.26 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 3bgr h LYS 395 CO 0.61 0.39 0.06 1.49 -1.08 0.00 0.00 179.45 180.92 3bgr h GLU 396 N 0.61 0.85 -0.31 3.15 4.81 -1.99 -1.32 114.58 120.38 3bgr h GLU 396 Ca 0.48 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3bgr h GLU 396 Cb 0.71 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3bgr h GLU 396 CO -0.38 0.86 0.18 1.15 -0.73 0.00 0.00 179.01 180.08 3bgr h THR 397 N 0.73 1.03 -0.47 0.32 2.02 -1.71 -1.54 112.91 113.29 3bgr h THR 397 Ca 0.15 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 3bgr h THR 397 Cb 0.43 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3bgr h THR 397 CO 0.01 0.07 0.28 -0.25 0.37 0.00 0.00 175.52 176.01 3bgr h TRP 398 N 0.37 0.63 -0.60 3.16 2.91 -1.13 -0.44 115.95 120.85 3bgr h TRP 398 Ca 0.12 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 3bgr h TRP 398 Cb 0.00 -0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 28.42 3bgr h TRP 398 CO -0.08 0.44 0.33 1.49 -1.03 0.00 0.00 178.44 179.59 3bgr h GLU 399 N 0.63 0.83 -0.55 2.65 4.81 -0.95 -0.69 114.58 121.31 3bgr h GLU 399 Ca 0.17 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3bgr h GLU 399 Cb -0.00 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3bgr h GLU 399 CO -0.03 0.64 0.32 1.15 -0.73 0.00 0.00 179.01 180.35 3bgr h THR 400 N 0.81 1.18 0.79 0.32 2.02 -1.04 -2.11 112.91 114.88 3bgr h THR 400 Ca 0.21 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 3bgr h THR 400 Cb 0.04 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3bgr h THR 400 CO -0.03 0.19 -0.43 -0.25 0.37 0.00 0.00 175.52 175.37 3bgr h TRP 401 N 0.75 -1.12 0.00 3.16 2.91 -0.47 -2.82 115.95 118.35 3bgr h TRP 401 Ca 0.20 -0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.10 3bgr h TRP 401 Cb 0.02 0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 29.05 3bgr h TRP 401 CO -0.02 -0.66 -0.45 0.11 -1.03 0.00 0.00 178.44 176.39 3bgr h TRP 402 N -1.12 0.00 0.00 2.65 5.08 -1.18 -0.18 115.95 121.20 3bgr h TRP 402 Ca -0.11 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.80 3bgr h TRP 402 Cb 0.88 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.03 3bgr h TRP 402 CO -0.02 0.45 -0.30 1.79 -1.28 0.00 0.00 178.44 179.08 3bgr h THR 403 N 0.00 0.65 0.00 0.12 1.35 -1.42 -3.20 112.91 110.41 3bgr h THR 403 Ca -0.00 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 3bgr h THR 403 Cb 0.81 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 3bgr h THR 403 CO 0.06 0.29 -0.96 -0.62 -0.25 0.00 0.00 175.52 174.04 3bgr n GLU 404 N -3.37 0.84 -2.33 4.72 -0.58 -1.07 -4.98 120.64 113.88 3bgr n GLU 404 Ca 0.01 -0.01 -0.41 0.00 -0.42 0.00 0.00 57.16 56.32 3bgr n GLU 404 Cb 0.51 -1.38 -0.03 0.00 -0.57 0.00 0.00 31.44 29.96 3bgr n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3bgr s TYR 405 N -2.80 3.38 0.46 -0.32 5.04 -0.10 -4.90 117.35 118.10 3bgr s TYR 405 Ca 0.06 1.39 0.38 0.00 -2.44 0.00 0.00 57.07 56.46 3bgr s TYR 405 Cb 0.14 -3.48 1.92 0.00 0.35 0.00 0.00 41.96 40.89 3bgr s TYR 405 CO 0.77 -1.36 2.20 0.11 -1.34 0.00 0.00 175.55 175.93 3bgr h TRP 406 N 5.08 0.00 -2.33 4.97 5.08 -1.91 -3.42 115.95 123.42 3bgr h TRP 406 Ca -0.45 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 59.04 3bgr h TRP 406 Cb 1.21 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.36 3bgr h TRP 406 CO 0.62 0.02 -0.41 -0.65 -1.28 0.00 0.00 178.44 176.74 3bgr s GLN 407 N -4.06 3.45 0.25 0.12 -0.21 -1.26 -5.08 119.66 112.88 3bgr s GLN 407 Ca -0.03 -0.68 -0.30 0.00 0.02 0.00 0.00 55.36 54.38 3bgr s GLN 407 Cb 0.12 -2.88 -0.09 0.00 1.00 0.00 0.00 33.01 31.16 3bgr s GLN 407 CO 0.49 0.42 1.08 0.00 -2.12 0.00 0.00 175.29 175.16 3bgr s ALA 408 N -1.96 3.39 0.09 6.09 0.00 -1.26 -5.04 121.76 123.08 3bgr s ALA 408 Ca 0.35 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 3bgr s ALA 408 Cb -0.10 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.72 3bgr s ALA 408 CO 0.29 -0.13 0.28 -0.08 0.00 0.00 0.00 175.76 176.13 3bgr s THR 409 N -0.96 0.11 -0.25 0.00 -1.32 -1.26 -5.17 115.64 106.80 3bgr s THR 409 Ca 0.45 -0.90 -0.25 0.00 -1.21 0.00 0.00 61.69 59.77 3bgr s THR 409 Cb -0.31 -1.22 0.07 0.00 -1.51 0.00 0.00 72.50 69.54 3bgr s THR 409 CO 0.39 -0.50 0.71 0.86 -2.21 0.00 0.00 174.62 173.87 3bgr s TRP 410 N -3.63 -0.77 -0.06 9.09 -0.11 -1.26 -5.05 118.94 117.14 3bgr s TRP 410 Ca 0.03 1.84 0.04 0.00 1.22 0.00 0.00 56.10 59.22 3bgr s TRP 410 Cb 0.03 0.28 0.00 0.00 -1.50 0.00 0.00 33.47 32.28 3bgr s TRP 410 CO -0.10 -0.40 -0.18 0.42 -4.62 0.00 0.00 176.95 172.07 3bgr s ILE 411 N 0.21 1.52 1.00 5.86 1.01 -1.26 -4.97 121.20 124.57 3bgr s ILE 411 Ca -0.01 -0.73 -0.14 0.00 0.00 0.00 0.00 60.65 59.77 3bgr s ILE 411 Cb -0.04 -1.33 0.19 0.00 0.01 0.00 0.00 42.46 41.29 3bgr s ILE 411 CO 0.02 0.44 1.13 -2.16 0.00 0.00 0.00 174.94 174.37 3bgr s PRO 412 N 0.29 0.42 -0.19 2.79 0.04 -1.26 -4.84 135.00 132.25 3bgr s PRO 412 Ca -0.11 0.23 -0.22 0.00 0.04 0.00 0.00 61.00 60.94 3bgr s PRO 412 Cb -0.14 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 3bgr s PRO 412 CO 0.04 -2.67 0.71 -1.91 0.04 0.00 0.00 177.00 173.21 3bgr n GLU 413 N -4.08 0.00 -3.80 4.56 2.13 -1.26 -4.79 120.64 113.40 3bgr n GLU 413 Ca 0.08 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.80 3bgr n GLU 413 Cb 0.59 -0.71 -0.05 0.00 0.27 0.00 0.00 31.44 31.54 3bgr n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3bgr s TRP 414 N 1.15 0.05 0.03 4.31 1.48 -1.26 -2.45 118.94 122.25 3bgr s TRP 414 Ca 0.48 -0.40 0.03 0.00 -1.06 0.00 0.00 56.10 55.15 3bgr s TRP 414 Cb -0.69 0.20 -0.02 0.00 -1.16 0.00 0.00 33.47 31.81 3bgr s TRP 414 CO 0.36 -0.80 -0.09 -1.21 -4.06 0.00 0.00 176.95 171.15 3bgr s GLU 415 N -3.89 0.61 0.17 3.25 2.02 0.54 -4.96 118.70 116.44 3bgr s GLU 415 Ca 0.11 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 3bgr s GLU 415 Cb 0.01 -0.50 -0.08 0.00 0.10 0.00 0.00 34.13 33.67 3bgr s GLU 415 CO -0.04 0.11 1.24 0.12 0.02 0.00 0.00 175.26 176.71 3bgr s PHE 416 N -1.00 3.38 -0.21 1.61 5.36 -1.26 -0.97 117.98 124.88 3bgr s PHE 416 Ca -0.04 1.33 0.02 0.00 -0.96 0.00 0.00 56.93 57.27 3bgr s PHE 416 Cb -0.08 -3.48 0.04 0.00 -0.34 0.00 0.00 43.02 39.16 3bgr s PHE 416 CO 0.01 -1.44 -0.15 0.54 -1.46 0.00 0.00 175.22 172.71 3bgr s VAL 417 N 0.22 2.04 -1.30 3.12 0.11 0.46 -4.81 120.40 120.24 3bgr s VAL 417 Ca 0.55 -1.22 -0.16 0.00 -2.93 0.00 0.00 61.98 58.23 3bgr s VAL 417 Cb -0.33 -2.00 -0.01 0.00 -1.53 0.00 0.00 36.38 32.51 3bgr s VAL 417 CO 0.35 0.27 2.17 -3.20 -3.33 0.00 0.00 175.10 171.36 3bgr n ASN 418 N 4.56 3.62 -3.84 3.54 2.85 -1.26 -3.99 115.26 120.73 3bgr n ASN 418 Ca -0.17 -2.80 -0.30 0.00 -0.11 0.00 0.00 54.58 51.20 3bgr n ASN 418 Cb 0.46 -1.53 -0.15 0.00 1.24 0.00 0.00 39.78 39.80 3bgr n ASN 418 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3bgr s THR 419 N 3.60 1.30 0.66 -0.44 -4.23 -1.26 -5.12 115.64 110.16 3bgr s THR 419 Ca 0.50 -1.51 -0.17 0.00 -1.18 0.00 0.00 61.69 59.33 3bgr s THR 419 Cb 0.14 -1.87 -0.06 0.00 1.34 0.00 0.00 72.50 72.04 3bgr s THR 419 CO -0.04 -0.51 0.46 -2.65 -0.54 0.00 0.00 174.62 171.34 3bgr n PRO 420 N 4.69 0.36 -2.82 3.99 -0.02 -1.26 -4.48 135.00 135.45 3bgr n PRO 420 Ca -0.03 0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 61.19 3bgr n PRO 420 Cb 0.43 -1.72 -0.04 0.00 -0.02 0.00 0.00 33.50 32.14 3bgr n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3bgr s PRO 421 N -2.41 4.57 0.40 0.52 0.04 -1.26 -4.98 135.00 131.87 3bgr s PRO 421 Ca 0.66 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.74 3bgr s PRO 421 Cb -0.39 -3.41 -0.10 0.00 0.04 0.00 0.00 34.50 30.65 3bgr s PRO 421 CO 0.58 0.12 1.00 -0.51 0.04 0.00 0.00 177.00 178.23 3bgr s LEU 422 N 0.42 4.11 0.06 -3.56 1.43 -1.26 -4.64 118.68 115.24 3bgr s LEU 422 Ca 0.45 1.89 -0.25 0.00 -1.03 0.00 0.00 54.13 55.19 3bgr s LEU 422 Cb -0.21 -4.27 -0.06 0.00 0.03 0.00 0.00 46.19 41.68 3bgr s LEU 422 CO 0.26 -0.38 0.78 -0.69 0.23 0.00 0.00 176.35 176.55 3bgr s VAL 423 N -1.81 4.69 0.30 -1.59 1.01 0.72 -5.02 120.40 118.70 3bgr s VAL 423 Ca 0.58 1.67 -0.03 0.00 0.00 0.00 0.00 61.98 64.20 3bgr s VAL 423 Cb -0.17 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 3bgr s VAL 423 CO 0.22 0.37 0.39 -1.59 0.00 0.00 0.00 175.10 174.50 3bgr s LYS 424 N -0.13 1.72 -0.18 2.72 -2.85 -1.26 -4.44 119.74 115.31 3bgr s LYS 424 Ca 0.39 -1.69 -0.14 0.00 -1.00 0.00 0.00 55.97 53.53 3bgr s LYS 424 Cb -0.21 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 3bgr s LYS 424 CO 0.24 -0.68 0.32 -0.51 0.10 0.00 0.00 175.35 174.81 3bgr s LEU 425 N -3.21 4.20 0.30 2.77 1.43 -1.26 -4.79 118.68 118.12 3bgr s LEU 425 Ca 0.32 0.48 0.23 0.00 -1.03 0.00 0.00 54.13 54.12 3bgr s LEU 425 Cb 0.01 -2.40 0.14 0.00 0.03 0.00 0.00 46.19 43.97 3bgr s LEU 425 CO 0.18 0.03 1.28 -0.50 0.23 0.00 0.00 176.35 177.57 3bgr h TRP 426 N 7.01 0.00 -2.82 0.29 4.06 -1.98 -3.47 115.95 119.04 3bgr h TRP 426 Ca -0.39 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.53 3bgr h TRP 426 Cb 1.16 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.19 3bgr h TRP 426 CO 0.63 0.01 0.19 1.52 -3.56 0.00 0.00 178.44 177.24 3bgr s TYR 427 N -3.29 -0.55 -0.17 0.49 -0.85 -1.26 -4.53 117.35 107.19 3bgr s TYR 427 Ca 0.03 0.47 -0.04 0.00 -0.52 0.00 0.00 57.07 57.00 3bgr s TYR 427 Cb 0.08 0.52 0.07 0.00 0.38 0.00 0.00 41.96 43.01 3bgr s TYR 427 CO 0.74 -0.80 0.15 -1.14 -1.52 0.00 0.00 175.55 172.98 3bgr s GLN 428 N -3.25 0.10 0.69 -3.49 0.74 -1.26 -5.10 119.66 108.09 3bgr s GLN 428 Ca -0.01 0.12 -0.16 0.00 0.05 0.00 0.00 55.36 55.36 3bgr s GLN 428 Cb -0.01 -1.35 0.01 0.00 1.10 0.00 0.00 33.01 32.76 3bgr s GLN 428 CO -0.08 -0.61 1.20 -0.51 -0.55 0.00 0.00 175.29 174.73 3bgr s LEU 429 N 2.23 3.41 0.54 3.68 1.43 -1.26 -4.70 118.68 124.01 3bgr s LEU 429 Ca 0.04 2.32 -0.17 0.00 -1.03 0.00 0.00 54.13 55.30 3bgr s LEU 429 Cb -0.15 -4.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.42 3bgr s LEU 429 CO -0.10 -2.01 1.02 -1.61 0.23 0.00 0.00 176.35 173.88 3bgr s GLU 430 N -3.78 3.68 0.04 1.70 0.41 0.35 -4.99 118.70 116.11 3bgr s GLU 430 Ca 0.74 1.12 0.22 0.00 -0.41 0.00 0.00 54.97 56.65 3bgr s GLU 430 Cb -0.29 -2.09 -0.21 0.00 -1.78 0.00 0.00 34.13 29.76 3bgr s GLU 430 CO 0.42 -0.51 0.70 1.63 -0.49 0.00 0.00 175.26 177.00 3bgr n LYS 431 N -1.64 0.58 -4.14 1.61 5.02 -1.26 -4.70 118.16 113.63 3bgr n LYS 431 Ca 0.08 -0.09 -0.16 0.00 -2.02 0.00 0.00 58.31 56.12 3bgr n LYS 431 Cb 0.53 -1.61 -0.12 0.00 -0.02 0.00 0.00 35.03 33.82 3bgr n LYS 431 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3bgr s GLU 432 N -3.43 0.75 0.52 1.97 0.41 -1.26 -5.12 118.70 112.54 3bgr s GLU 432 Ca -0.04 -0.96 -0.22 0.00 -0.41 0.00 0.00 54.97 53.34 3bgr s GLU 432 Cb 0.13 -0.62 -0.07 0.00 -1.78 0.00 0.00 34.13 31.80 3bgr s GLU 432 CO 0.87 0.12 1.16 -0.35 -0.49 0.00 0.00 175.26 176.57 3bgr n PRO 433 N 1.14 1.43 -3.20 0.39 -0.04 -1.26 -4.84 135.00 128.62 3bgr n PRO 433 Ca -0.20 0.52 -0.40 0.00 -0.04 0.00 0.00 63.50 63.39 3bgr n PRO 433 Cb 0.55 -2.33 -0.06 0.00 -0.04 0.00 0.00 33.50 31.62 3bgr n PRO 433 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3bgr s ILE 434 N -1.34 5.07 0.16 0.52 1.01 -1.26 -5.05 121.20 120.31 3bgr s ILE 434 Ca 0.70 1.05 -0.30 0.00 0.00 0.00 0.00 60.65 62.09 3bgr s ILE 434 Cb -0.46 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 3bgr s ILE 434 CO 0.51 0.15 1.16 -0.69 0.00 0.00 0.00 174.94 176.07 3bgr s VAL 435 N 1.74 3.76 0.00 2.92 1.01 -1.26 -3.04 120.40 125.53 3bgr s VAL 435 Ca 0.26 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.70 3bgr s VAL 435 Cb -0.16 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3bgr s VAL 435 CO 0.10 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3bgr n GLY 436 N 2.28 2.79 3.76 4.51 0.00 -1.26 -5.01 105.19 112.25 3bgr n GLY 436 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3bgr n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bgr s ALA 437 N -2.03 3.44 0.35 4.61 0.00 -1.17 -5.03 121.76 121.94 3bgr s ALA 437 Ca 0.00 0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.82 3bgr s ALA 437 Cb 0.00 -2.85 -0.12 0.00 0.00 0.00 0.00 23.12 20.15 3bgr s ALA 437 CO 0.00 0.14 1.32 -1.91 0.00 0.00 0.00 175.76 175.30 3bgr n GLU 438 N 2.69 2.19 -3.60 0.00 2.13 -1.26 -4.55 120.64 118.24 3bgr n GLU 438 Ca -0.05 0.77 -0.39 0.00 0.66 0.00 0.00 57.16 58.14 3bgr n GLU 438 Cb 0.51 -2.38 -0.11 0.00 0.27 0.00 0.00 31.44 29.72 3bgr n GLU 438 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3bgr s THR 439 N -1.11 4.89 -0.29 6.31 2.01 -1.26 -1.49 115.64 124.70 3bgr s THR 439 Ca 0.56 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 3bgr s THR 439 Cb -0.55 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 3bgr s THR 439 CO 0.62 0.02 0.23 -0.36 -0.69 0.00 0.00 174.62 174.44 3bgr s PHE 440 N 1.66 3.22 -0.35 4.92 0.40 0.15 -2.78 117.98 125.21 3bgr s PHE 440 Ca 0.05 0.11 -0.16 0.00 -0.60 0.00 0.00 56.93 56.33 3bgr s PHE 440 Cb -0.17 -2.44 -0.01 0.00 0.51 0.00 0.00 43.02 40.91 3bgr s PHE 440 CO 0.08 -0.21 0.40 0.71 0.70 0.00 0.00 175.22 176.90 3bgr s TYR 441 N 1.81 3.20 0.29 0.36 1.51 -0.28 -0.11 117.35 124.14 3bgr s TYR 441 Ca 0.08 0.01 0.09 0.00 -1.01 0.00 0.00 57.07 56.24 3bgr s TYR 441 Cb -0.16 -2.73 -0.04 0.00 -0.11 0.00 0.00 41.96 38.92 3bgr s TYR 441 CO 0.11 -0.46 0.08 0.14 -1.11 0.00 0.00 175.55 174.30 3bgr s VAL 442 N 2.10 3.39 -0.14 0.71 -7.23 -0.44 -1.66 120.40 117.13 3bgr s VAL 442 Ca 0.13 -1.76 -0.33 0.00 -1.81 0.00 0.00 61.98 58.21 3bgr s VAL 442 Cb -0.16 -2.97 0.13 0.00 0.56 0.00 0.00 36.38 33.94 3bgr s VAL 442 CO 0.12 -0.29 1.11 -0.62 -0.31 0.00 0.00 175.10 175.11 3bgr s ASP 443 N -3.76 -0.21 0.14 4.85 3.68 -0.47 -4.58 116.67 116.31 3bgr s ASP 443 Ca 0.34 0.04 -0.16 0.00 2.13 0.00 0.00 52.55 54.90 3bgr s ASP 443 Cb -0.05 0.22 0.03 0.00 -1.45 0.00 0.00 42.92 41.67 3bgr s ASP 443 CO 0.22 -0.34 0.43 -0.83 0.13 0.00 0.00 175.17 174.78 3bgr s GLY 444 N -2.10 -0.23 -0.00 2.66 0.00 -1.26 -0.94 107.32 105.45 3bgr s GLY 444 Ca 0.07 -0.09 -0.28 0.00 0.00 0.00 0.00 44.72 44.42 3bgr s GLY 444 CO -0.05 -0.30 0.77 0.00 0.00 0.00 0.00 173.10 173.51 3bgr s ALA 445 N -3.82 -1.77 -0.00 3.20 0.00 -0.57 -4.66 121.76 114.14 3bgr s ALA 445 Ca 0.04 1.06 -0.06 0.00 0.00 0.00 0.00 51.96 53.01 3bgr s ALA 445 Cb 0.01 0.22 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 3bgr s ALA 445 CO -0.10 -0.55 0.11 0.00 0.00 0.00 0.00 175.76 175.23 3bgr s ALA 446 N -2.35 -0.26 -0.34 0.00 0.00 -1.26 -1.00 121.76 116.55 3bgr s ALA 446 Ca -0.02 -0.12 -0.26 0.00 0.00 0.00 0.00 51.96 51.55 3bgr s ALA 446 Cb -0.01 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.19 3bgr s ALA 446 CO -0.03 -0.18 0.95 1.21 0.00 0.00 0.00 175.76 177.72 3bgr s ASN 447 N -1.16 6.77 0.38 0.00 3.84 0.27 -4.71 114.94 120.33 3bgr s ASN 447 Ca -0.13 0.77 0.14 0.00 0.21 0.00 0.00 52.86 53.85 3bgr s ASN 447 Cb -0.07 -2.48 0.97 0.00 -0.55 0.00 0.00 41.25 39.12 3bgr s ASN 447 CO 0.01 -0.82 1.84 -0.09 -2.79 0.00 0.00 177.10 175.25 3bgr h ARG 448 N 8.26 0.51 0.07 0.43 2.43 -1.93 0.66 114.38 124.81 3bgr h ARG 448 Ca -0.22 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3bgr h ARG 448 Cb 1.08 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3bgr h ARG 448 CO 0.98 0.34 -0.03 0.93 -1.51 0.00 0.00 179.97 180.68 3bgr h GLU 449 N 0.53 -0.09 0.00 0.20 4.39 -1.96 -3.36 114.58 114.28 3bgr h GLU 449 Ca 0.49 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.16 3bgr h GLU 449 Cb 1.06 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 3bgr h GLU 449 CO -0.23 -0.06 -0.19 1.79 -1.16 0.00 0.00 179.01 179.17 3bgr h THR 450 N -0.74 0.62 -0.30 1.13 1.35 -1.97 -3.46 112.91 109.54 3bgr h THR 450 Ca -0.01 -0.84 -0.13 0.00 -0.55 0.00 0.00 66.41 64.88 3bgr h THR 450 Cb 0.07 1.54 -0.05 0.00 -1.73 0.00 0.00 68.15 67.98 3bgr h THR 450 CO 0.02 0.18 -0.12 0.29 -0.25 0.00 0.00 175.52 175.64 3bgr n LYS 451 N -3.57 -0.69 -3.20 4.72 4.76 0.23 -4.69 118.16 115.72 3bgr n LYS 451 Ca -0.01 0.64 -0.37 0.00 -2.87 0.00 0.00 58.31 55.70 3bgr n LYS 451 Cb 0.33 -4.45 -0.06 0.00 -1.84 0.00 0.00 35.03 29.01 3bgr n LYS 451 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3bgr s LEU 452 N -1.44 4.41 0.00 -0.35 1.43 -1.24 -0.96 118.68 120.53 3bgr s LEU 452 Ca 0.00 1.31 -0.06 0.00 -1.03 0.00 0.00 54.13 54.35 3bgr s LEU 452 Cb 0.00 -3.32 0.03 0.00 0.03 0.00 0.00 46.19 42.93 3bgr s LEU 452 CO 0.00 0.12 0.43 0.61 0.23 0.00 0.00 176.35 177.74 3bgr n GLY 453 N 1.05 1.78 3.22 -3.19 0.00 0.15 0.96 105.19 109.16 3bgr n GLY 453 Ca -0.05 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 3bgr n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bgr s LYS 454 N -2.23 0.70 0.02 1.61 1.02 -0.17 0.81 119.74 121.49 3bgr s LYS 454 Ca 0.13 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.75 3bgr s LYS 454 Cb -0.02 0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.57 3bgr s LYS 454 CO 0.10 -0.20 -0.03 0.00 -0.92 0.00 0.00 175.35 174.29 3bgr s ALA 455 N -1.91 0.14 0.00 5.17 0.00 -0.97 -1.51 121.76 122.68 3bgr s ALA 455 Ca -0.10 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3bgr s ALA 455 Cb -0.03 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3bgr s ALA 455 CO 0.00 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3bgr n GLY 456 N 1.57 -1.16 3.48 0.00 0.00 -0.12 -0.72 105.19 108.24 3bgr n GLY 456 Ca -0.24 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 3bgr n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bgr s TYR 457 N -3.00 -0.48 0.01 1.61 -0.85 -0.34 -1.37 117.35 112.92 3bgr s TYR 457 Ca 0.00 0.25 0.02 0.00 -0.52 0.00 0.00 57.07 56.81 3bgr s TYR 457 Cb 0.00 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.91 3bgr s TYR 457 CO 0.00 -0.88 -0.06 0.14 -1.52 0.00 0.00 175.55 173.24 3bgr s VAL 458 N -3.72 0.44 0.39 -3.49 -7.23 -0.67 -1.28 120.40 104.84 3bgr s VAL 458 Ca 0.03 -0.47 0.05 0.00 -1.81 0.00 0.00 61.98 59.77 3bgr s VAL 458 Cb -0.02 -0.42 -0.06 0.00 0.56 0.00 0.00 36.38 36.45 3bgr s VAL 458 CO -0.10 -0.03 0.04 0.42 -0.31 0.00 0.00 175.10 175.12 3bgr s THR 459 N -0.49 1.40 -0.14 5.32 -4.23 -0.25 -1.12 115.64 116.13 3bgr s THR 459 Ca -0.02 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.78 3bgr s THR 459 Cb -0.04 -2.74 0.31 0.00 1.34 0.00 0.00 72.50 71.36 3bgr s THR 459 CO -0.00 0.00 1.86 -0.55 -0.54 0.00 0.00 174.62 175.39 3bgr h ASN 460 N 1.86 0.00 0.00 3.99 7.08 -1.85 -1.30 115.58 125.36 3bgr h ASN 460 Ca -0.42 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.80 3bgr h ASN 460 Cb 1.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 3bgr h ASN 460 CO 0.73 0.00 -0.05 0.29 -2.08 0.00 0.00 177.43 176.32 3bgr n LYS 461 N -2.58 1.76 -0.43 4.14 5.02 -1.26 -4.93 118.16 119.89 3bgr n LYS 461 Ca 0.00 -1.21 0.00 0.00 -2.02 0.00 0.00 58.31 55.09 3bgr n LYS 461 Cb 0.20 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3bgr n LYS 461 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bgr n GLY 462 N 1.25 0.73 3.76 0.72 0.00 -0.49 -5.04 105.19 106.13 3bgr n GLY 462 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3bgr n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bgr s ARG 463 N -0.56 3.49 -0.01 1.61 3.52 -1.26 -4.76 118.95 120.99 3bgr s ARG 463 Ca 0.00 1.94 -0.23 0.00 -0.13 0.00 0.00 55.73 57.31 3bgr s ARG 463 Cb 0.00 -2.32 0.05 0.00 -1.56 0.00 0.00 34.95 31.11 3bgr s ARG 463 CO 0.00 -0.81 0.50 -0.65 -0.81 0.00 0.00 175.30 173.52 3bgr s GLN 464 N -2.81 0.91 -0.18 5.12 -0.21 -1.26 -1.09 119.66 120.14 3bgr s GLN 464 Ca 0.67 -0.06 -0.28 0.00 0.02 0.00 0.00 55.36 55.72 3bgr s GLN 464 Cb -0.33 0.42 0.08 0.00 1.00 0.00 0.00 33.01 34.18 3bgr s GLN 464 CO 0.39 -0.29 0.74 0.21 -2.12 0.00 0.00 175.29 174.22 3bgr s LYS 465 N -1.63 0.89 -0.11 2.91 2.20 -0.40 -4.97 119.74 118.63 3bgr s LYS 465 Ca -0.10 0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 56.11 3bgr s LYS 465 Cb -0.02 0.43 0.05 0.00 -1.51 0.00 0.00 37.83 36.78 3bgr s LYS 465 CO 0.04 -0.19 0.22 0.08 -0.36 0.00 0.00 175.35 175.14 3bgr s VAL 466 N -0.31 -0.26 -0.12 4.02 1.01 -1.26 -1.20 120.40 122.28 3bgr s VAL 466 Ca -0.04 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3bgr s VAL 466 Cb -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 3bgr s VAL 466 CO 0.04 0.11 -0.15 -0.69 0.00 0.00 0.00 175.10 174.41 3bgr s VAL 467 N 2.01 2.88 0.26 2.92 1.01 0.10 -4.97 120.40 124.61 3bgr s VAL 467 Ca -0.02 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 3bgr s VAL 467 Cb -0.12 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 3bgr s VAL 467 CO -0.07 0.53 0.88 -2.16 0.00 0.00 0.00 175.10 174.28 3bgr s PRO 468 N 0.31 4.62 0.08 2.72 0.04 -1.26 -2.30 135.00 139.19 3bgr s PRO 468 Ca -0.12 1.28 0.04 0.00 0.04 0.00 0.00 61.00 62.25 3bgr s PRO 468 Cb -0.16 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 3bgr s PRO 468 CO 0.06 0.42 -0.12 -0.51 0.04 0.00 0.00 177.00 176.89 3bgr s LEU 469 N -1.63 2.32 0.19 -3.56 1.43 0.24 -4.95 118.68 112.71 3bgr s LEU 469 Ca 0.44 -0.67 0.11 0.00 -1.03 0.00 0.00 54.13 52.98 3bgr s LEU 469 Cb -0.21 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 3bgr s LEU 469 CO 0.26 -0.15 -0.23 0.42 0.23 0.00 0.00 176.35 176.88 3bgr s THR 470 N -1.66 2.28 -1.00 5.49 -4.23 -1.26 -0.67 115.64 114.59 3bgr s THR 470 Ca -0.01 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.34 3bgr s THR 470 Cb -0.08 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 3bgr s THR 470 CO 0.01 -0.15 0.74 -3.20 -0.54 0.00 0.00 174.62 171.48 3bgr n ASN 471 N 0.24 -5.74 -3.65 3.99 5.15 -0.73 -4.96 115.26 109.55 3bgr n ASN 471 Ca -0.12 -0.83 -0.20 0.00 -0.60 0.00 0.00 54.58 52.83 3bgr n ASN 471 Cb 0.56 -3.44 -0.08 0.00 -0.53 0.00 0.00 39.78 36.29 3bgr n ASN 471 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3bgr s THR 472 N -3.28 0.14 0.23 -0.44 -1.32 -0.14 -5.06 115.64 105.78 3bgr s THR 472 Ca 0.30 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.78 3bgr s THR 472 Cb -0.10 -2.47 -0.04 0.00 -1.51 0.00 0.00 72.50 68.37 3bgr s THR 472 CO 0.85 0.00 0.12 0.42 -2.21 0.00 0.00 174.62 173.80 3bgr s THR 473 N -3.50 0.23 0.10 5.08 -4.23 -1.26 -4.64 115.64 107.41 3bgr s THR 473 Ca 0.37 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.59 3bgr s THR 473 Cb 0.03 -2.55 -0.12 0.00 1.34 0.00 0.00 72.50 71.20 3bgr s THR 473 CO 0.23 0.00 1.64 0.78 -0.54 0.00 0.00 174.62 176.73 3bgr h ASN 474 N 2.49 -0.71 -0.77 3.99 2.35 -1.90 -1.87 115.58 119.16 3bgr h ASN 474 Ca -0.36 0.06 0.18 0.00 -0.55 0.00 0.00 56.30 55.63 3bgr h ASN 474 Cb 1.25 0.24 -0.12 0.00 0.05 0.00 0.00 38.32 39.74 3bgr h ASN 474 CO 0.55 -0.38 0.16 1.56 -1.65 0.00 0.00 177.43 177.67 3bgr h GLN 475 N -0.56 0.21 -0.19 0.81 4.20 -1.97 -0.09 115.11 117.53 3bgr h GLN 475 Ca -0.01 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.55 3bgr h GLN 475 Cb 0.52 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3bgr h GLN 475 CO -0.06 0.14 -0.46 0.87 -0.67 0.00 0.00 178.83 178.66 3bgr h LYS 476 N 0.22 0.47 -0.07 1.46 1.57 -1.92 -2.93 116.57 115.38 3bgr h LYS 476 Ca 0.45 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3bgr h LYS 476 Cb 0.80 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3bgr h LYS 476 CO -0.58 0.84 -0.38 1.79 -0.57 0.00 0.00 179.45 180.55 3bgr h THR 477 N 0.38 1.29 -0.14 -0.16 1.35 -0.21 -0.38 112.91 115.04 3bgr h THR 477 Ca 0.02 -1.38 -0.11 0.00 -0.55 0.00 0.00 66.41 64.39 3bgr h THR 477 Cb 0.95 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 3bgr h THR 477 CO 0.08 0.41 -0.41 -0.33 -0.25 0.00 0.00 175.52 175.02 3bgr h GLU 478 N 0.12 0.31 0.05 4.72 5.08 -1.14 -1.10 114.58 122.63 3bgr h GLU 478 Ca 0.01 -0.15 -0.26 0.00 -1.00 0.00 0.00 59.36 57.96 3bgr h GLU 478 Cb 0.72 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.99 3bgr h GLU 478 CO 0.05 0.67 -1.09 -0.07 -1.00 0.00 0.00 179.01 177.58 3bgr h LEU 479 N 0.26 0.68 -0.77 1.33 3.38 -1.28 -3.03 115.31 115.88 3bgr h LEU 479 Ca 0.02 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 57.36 3bgr h LEU 479 Cb 0.84 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3bgr h LEU 479 CO 0.07 1.40 0.33 -0.61 0.09 0.00 0.00 178.44 179.72 3bgr h GLN 480 N 0.25 1.13 -0.11 1.13 5.75 -0.83 -0.51 115.11 121.92 3bgr h GLN 480 Ca -0.13 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.19 3bgr h GLN 480 Cb 1.75 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 30.10 3bgr h GLN 480 CO 0.20 0.90 0.03 0.00 -2.65 0.00 0.00 178.83 177.31 3bgr h ALA 481 N 1.17 0.11 -0.82 3.38 0.00 -1.22 0.31 119.26 122.20 3bgr h ALA 481 Ca 0.26 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3bgr h ALA 481 Cb 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3bgr h ALA 481 CO -0.03 -0.42 0.51 0.82 0.00 0.00 0.00 179.25 180.14 3bgr h ILE 482 N 0.09 1.08 -0.76 0.00 2.04 -1.33 -2.20 117.51 116.42 3bgr h ILE 482 Ca 0.04 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 3bgr h ILE 482 Cb 0.02 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 3bgr h ILE 482 CO -0.05 0.18 0.39 0.22 0.00 0.00 0.00 178.15 178.89 3bgr h TYR 483 N 0.97 1.06 -0.57 1.37 3.20 -0.49 -1.94 116.97 120.56 3bgr h TYR 483 Ca 0.34 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 3bgr h TYR 483 Cb 0.09 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 3bgr h TYR 483 CO -0.03 0.76 0.27 -0.07 -1.64 0.00 0.00 178.16 177.44 3bgr h LEU 484 N 1.05 0.75 -0.62 2.82 3.38 -0.41 -0.67 115.31 121.60 3bgr h LEU 484 Ca 0.26 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3bgr h LEU 484 Cb 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3bgr h LEU 484 CO -0.04 0.67 0.40 0.00 0.09 0.00 0.00 178.44 179.57 3bgr h ALA 485 N 1.10 0.80 -0.42 1.53 0.00 -1.13 -0.77 119.26 120.38 3bgr h ALA 485 Ca 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3bgr h ALA 485 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3bgr h ALA 485 CO -0.02 0.18 0.01 -0.07 0.00 0.00 0.00 179.25 179.35 3bgr h LEU 486 N 0.81 0.72 -1.12 0.00 3.38 -1.11 -2.14 115.31 115.84 3bgr h LEU 486 Ca 0.24 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3bgr h LEU 486 Cb -0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3bgr h LEU 486 CO -0.07 0.84 0.07 1.56 0.09 0.00 0.00 178.44 180.93 3bgr h GLN 487 N 0.57 0.69 -0.28 1.13 4.20 -0.77 -3.17 115.11 117.48 3bgr h GLN 487 Ca 0.12 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3bgr h GLN 487 Cb 0.46 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3bgr h GLN 487 CO 0.02 0.66 0.00 -0.25 -0.67 0.00 0.00 178.83 178.59 3bgr n ASP 488 N -4.28 2.89 -4.89 1.46 8.00 -0.33 -4.96 116.55 114.44 3bgr n ASP 488 Ca 0.03 -1.91 -0.21 0.00 0.71 0.00 0.00 54.79 53.41 3bgr n ASP 488 Cb 0.23 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 3bgr n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3bgr s SER 489 N -1.58 5.45 0.40 -2.24 1.04 -0.82 -5.05 113.70 110.90 3bgr s SER 489 Ca 0.36 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.36 3bgr s SER 489 Cb 0.21 -1.02 0.00 0.00 0.10 0.00 0.00 66.02 65.31 3bgr s SER 489 CO 0.30 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.74 3bgr n GLY 490 N -1.45 -1.69 0.27 7.32 0.00 -1.26 -4.92 105.19 103.46 3bgr n GLY 490 Ca -0.01 -1.52 0.16 0.00 0.00 0.00 0.00 46.02 44.65 3bgr n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bgr h LEU 491 N 0.00 0.00 -8.32 0.99 3.38 -1.94 -3.41 115.31 106.01 3bgr h LEU 491 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 3bgr h LEU 491 Cb 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.44 3bgr h LEU 491 CO 0.00 0.07 -0.85 -1.61 0.09 0.00 0.00 178.44 176.14 3bgr s GLU 492 N -3.85 1.94 -0.18 1.13 2.02 -1.26 -0.74 118.70 117.76 3bgr s GLU 492 Ca -0.01 -0.70 -0.26 0.00 0.02 0.00 0.00 54.97 54.02 3bgr s GLU 492 Cb 0.11 -1.70 0.07 0.00 0.10 0.00 0.00 34.13 32.70 3bgr s GLU 492 CO 0.55 0.31 0.68 0.54 0.02 0.00 0.00 175.26 177.36 3bgr s VAL 493 N -0.09 0.00 -0.17 2.63 0.11 -0.54 -4.32 120.40 118.02 3bgr s VAL 493 Ca -0.02 -0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 58.96 3bgr s VAL 493 Cb -0.11 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 3bgr s VAL 493 CO 0.02 -0.01 0.04 0.20 -3.33 0.00 0.00 175.10 172.02 3bgr s ASN 494 N -0.24 5.46 -0.09 3.54 0.01 -0.56 -2.14 114.94 120.92 3bgr s ASN 494 Ca -0.04 0.06 0.03 0.00 -0.71 0.00 0.00 52.86 52.19 3bgr s ASN 494 Cb -0.03 -1.90 0.01 0.00 0.41 0.00 0.00 41.25 39.74 3bgr s ASN 494 CO 0.04 0.19 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.02 3bgr s ILE 495 N 0.24 1.61 -0.18 0.60 1.01 0.58 0.34 121.20 125.40 3bgr s ILE 495 Ca 0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 3bgr s ILE 495 Cb -0.13 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 3bgr s ILE 495 CO 0.01 0.46 -0.06 -0.69 0.00 0.00 0.00 174.94 174.66 3bgr s VAL 496 N 0.60 3.43 0.08 2.92 1.01 0.84 -0.43 120.40 128.85 3bgr s VAL 496 Ca -0.14 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3bgr s VAL 496 Cb -0.16 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 3bgr s VAL 496 CO 0.05 0.47 -0.07 0.28 0.00 0.00 0.00 175.10 175.82 3bgr s THR 497 N 0.88 0.66 -1.46 3.92 -1.32 -0.26 -1.32 115.64 116.73 3bgr s THR 497 Ca -0.01 -1.58 0.14 0.00 -1.21 0.00 0.00 61.69 59.02 3bgr s THR 497 Cb -0.15 -1.25 0.27 0.00 -1.51 0.00 0.00 72.50 69.86 3bgr s THR 497 CO 0.01 -0.66 1.16 -0.90 -2.21 0.00 0.00 174.62 172.02 3bgr n ASP 498 N 0.58 2.73 -4.57 8.08 5.68 -1.26 -1.34 116.55 126.46 3bgr n ASP 498 Ca -0.17 -1.82 -0.41 0.00 -0.50 0.00 0.00 54.79 51.89 3bgr n ASP 498 Cb 0.58 -0.16 -0.03 0.00 -1.14 0.00 0.00 41.12 40.37 3bgr n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3bgr s SER 499 N -1.09 6.21 0.31 -1.12 0.15 -1.26 -4.58 113.70 112.32 3bgr s SER 499 Ca 0.24 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.84 3bgr s SER 499 Cb 0.14 -2.55 0.51 0.00 -1.71 0.00 0.00 66.02 62.41 3bgr s SER 499 CO 0.19 -1.71 1.90 1.56 1.20 0.00 0.00 173.24 176.38 3bgr h GLN 500 N 10.34 0.80 0.19 5.44 4.20 -1.93 -2.16 115.11 131.99 3bgr h GLN 500 Ca -0.27 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 3bgr h GLN 500 Cb 1.07 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.71 3bgr h GLN 500 CO 1.22 0.65 -0.09 -0.92 -0.67 0.00 0.00 178.83 179.02 3bgr h TYR 501 N 0.79 -0.24 -0.77 2.96 3.20 -1.99 -0.32 116.97 120.59 3bgr h TYR 501 Ca 0.19 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3bgr h TYR 501 Cb 0.15 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3bgr h TYR 501 CO 0.01 -0.12 0.29 0.00 -1.64 0.00 0.00 178.16 176.70 3bgr h ALA 502 N 0.52 1.05 -0.53 1.82 0.00 -1.88 -2.35 119.26 117.89 3bgr h ALA 502 Ca -0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3bgr h ALA 502 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3bgr h ALA 502 CO 0.04 0.66 0.11 1.25 0.00 0.00 0.00 179.25 181.31 3bgr h LEU 503 N 1.13 0.77 -1.45 0.00 5.85 -1.27 -1.08 115.31 119.26 3bgr h LEU 503 Ca 0.26 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3bgr h LEU 503 Cb 0.24 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3bgr h LEU 503 CO -0.02 0.77 0.39 1.23 -0.34 0.00 0.00 178.44 180.47 3bgr h GLY 504 N 0.97 0.81 0.11 3.75 0.00 -0.53 0.39 103.07 108.57 3bgr h GLY 504 Ca 0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 3bgr h GLY 504 CO 0.00 0.27 -0.02 -2.22 0.00 0.00 0.00 176.54 174.57 3bgr h ILE 505 N 0.74 1.22 -0.64 2.60 2.04 -0.98 -3.22 117.51 119.27 3bgr h ILE 505 Ca 0.23 -1.74 -0.02 0.00 1.00 0.00 0.00 64.86 64.32 3bgr h ILE 505 Cb 0.00 2.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 3bgr h ILE 505 CO -0.06 0.39 0.31 0.40 0.00 0.00 0.00 178.15 179.19 3bgr h ILE 506 N -0.93 1.21 0.00 -0.67 2.04 -1.12 -1.72 117.51 116.31 3bgr h ILE 506 Ca -0.00 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3bgr h ILE 506 Cb 0.67 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3bgr h ILE 506 CO 0.01 0.24 0.00 1.56 0.00 0.00 0.00 178.15 179.96 3bgr h GLN 507 N 0.90 0.00 -0.00 2.37 4.20 -1.05 -0.95 115.11 120.58 3bgr h GLN 507 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3bgr h GLN 507 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3bgr h GLN 507 CO -0.03 0.00 -0.06 0.00 -0.67 0.00 0.00 178.83 178.07 3bgr n ALA 508 N -1.80 2.60 -3.50 3.87 0.00 -0.65 -4.85 120.51 116.18 3bgr n ALA 508 Ca 0.02 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 3bgr n ALA 508 Cb 0.22 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.30 3bgr n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3bgr n GLN 509 N -1.22 -3.12 -3.01 0.00 6.02 -0.36 -4.97 117.38 110.72 3bgr n GLN 509 Ca 0.13 0.69 -0.33 0.00 -0.01 0.00 0.00 57.00 57.48 3bgr n GLN 509 Cb 0.27 -5.20 -0.06 0.00 1.02 0.00 0.00 30.24 26.26 3bgr n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3bgr s PRO 510 N -5.34 4.15 0.00 -1.09 0.04 -1.26 -4.69 135.00 126.81 3bgr s PRO 510 Ca 0.30 0.89 0.09 0.00 0.04 0.00 0.00 61.00 62.32 3bgr s PRO 510 Cb -0.07 -2.44 0.04 0.00 0.04 0.00 0.00 34.50 32.07 3bgr s PRO 510 CO 0.79 0.14 0.70 -0.40 0.04 0.00 0.00 177.00 178.27 3bgr n ASP 511 N -0.23 1.47 -3.59 6.66 5.68 0.48 -4.96 116.55 122.06 3bgr n ASP 511 Ca 0.04 -1.24 -0.16 0.00 -0.50 0.00 0.00 54.79 52.94 3bgr n ASP 511 Cb 0.53 0.24 -0.06 0.00 -1.14 0.00 0.00 41.12 40.68 3bgr n ASP 511 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3bgr s LYS 512 N -1.04 0.96 0.17 0.11 2.47 -1.07 -4.99 119.74 116.35 3bgr s LYS 512 Ca 0.09 -0.01 -0.12 0.00 -1.56 0.00 0.00 55.97 54.38 3bgr s LYS 512 Cb 0.08 0.44 0.00 0.00 -1.46 0.00 0.00 37.83 36.89 3bgr s LYS 512 CO 0.17 -0.31 0.36 0.45 0.16 0.00 0.00 175.35 176.19 3bgr s SER 513 N -1.48 -0.06 0.01 1.43 0.15 -1.26 -1.77 113.70 110.72 3bgr s SER 513 Ca -0.10 -0.74 0.04 0.00 0.70 0.00 0.00 55.95 55.85 3bgr s SER 513 Cb -0.01 0.48 -0.25 0.00 -1.71 0.00 0.00 66.02 64.53 3bgr s SER 513 CO 0.05 -0.95 0.86 -0.33 1.20 0.00 0.00 173.24 174.07 3bgr h GLU 514 N 2.43 0.12 -6.18 5.44 5.08 -0.82 -3.44 114.58 117.20 3bgr h GLU 514 Ca -0.31 -0.20 -0.57 0.00 -1.00 0.00 0.00 59.36 57.29 3bgr h GLU 514 Cb 1.24 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 3bgr h GLU 514 CO 0.45 0.90 0.94 0.45 -1.00 0.00 0.00 179.01 180.74 3bgr s SER 515 N -6.64 6.88 0.57 1.42 0.15 -1.26 -4.89 113.70 109.93 3bgr s SER 515 Ca -0.06 1.72 0.31 0.00 0.70 0.00 0.00 55.95 58.62 3bgr s SER 515 Cb 0.08 -2.54 1.74 0.00 -1.71 0.00 0.00 66.02 63.59 3bgr s SER 515 CO 0.83 -0.82 2.18 -0.08 1.20 0.00 0.00 173.24 176.56 3bgr h GLU 516 N 8.50 0.00 -0.21 5.44 4.57 -1.99 -1.57 114.58 129.32 3bgr h GLU 516 Ca -0.28 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.70 3bgr h GLU 516 Cb 1.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3bgr h GLU 516 CO 0.97 0.05 -0.66 1.25 -1.18 0.00 0.00 179.01 179.44 3bgr h LEU 517 N 0.00 0.93 -0.69 1.64 5.85 -1.98 -0.98 115.31 120.08 3bgr h LEU 517 Ca -0.00 -0.55 -0.13 0.00 0.84 0.00 0.00 57.88 58.04 3bgr h LEU 517 Cb 0.16 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3bgr h LEU 517 CO 0.01 1.35 -0.40 0.58 -0.34 0.00 0.00 178.44 179.64 3bgr h VAL 518 N 0.59 1.30 -0.43 1.05 2.07 -1.76 -2.40 116.25 116.66 3bgr h VAL 518 Ca -0.02 -1.56 -0.08 0.00 0.82 0.00 0.00 66.70 65.87 3bgr h VAL 518 Cb 1.28 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 3bgr h VAL 518 CO 0.14 0.49 -0.06 0.78 0.02 0.00 0.00 177.57 178.94 3bgr h ASN 519 N 0.46 0.72 -0.36 0.57 2.35 -1.17 0.77 115.58 118.91 3bgr h ASN 519 Ca 0.04 -0.19 -0.14 0.00 -0.55 0.00 0.00 56.30 55.47 3bgr h ASN 519 Cb 0.89 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 3bgr h ASN 519 CO 0.08 0.82 -0.28 1.56 -1.65 0.00 0.00 177.43 177.96 3bgr h GLN 520 N 0.68 0.89 -0.34 0.81 4.20 -1.02 0.37 115.11 120.70 3bgr h GLN 520 Ca 0.13 -0.40 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 3bgr h GLN 520 Cb 0.50 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3bgr h GLN 520 CO 0.03 1.05 0.09 0.82 -0.67 0.00 0.00 178.83 180.15 3bgr h ILE 521 N 0.75 1.22 -0.65 2.54 2.04 -1.04 -0.96 117.51 121.40 3bgr h ILE 521 Ca 0.09 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.24 3bgr h ILE 521 Cb 0.84 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 3bgr h ILE 521 CO 0.07 0.24 0.42 0.40 0.00 0.00 0.00 178.15 179.29 3bgr h ILE 522 N 0.39 1.13 -0.66 -0.67 2.04 -0.61 0.11 117.51 119.25 3bgr h ILE 522 Ca 0.11 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3bgr h ILE 522 Cb 0.28 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3bgr h ILE 522 CO -0.00 0.15 0.44 -0.08 0.00 0.00 0.00 178.15 178.66 3bgr h GLU 523 N 0.84 0.86 -0.20 2.37 4.57 -0.65 -1.49 114.58 120.88 3bgr h GLU 523 Ca 0.25 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 58.18 3bgr h GLU 523 Cb -0.05 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.35 3bgr h GLU 523 CO -0.07 0.57 -0.67 1.96 -1.18 0.00 0.00 179.01 179.62 3bgr h GLN 524 N 0.89 0.76 -0.79 1.92 1.08 0.15 -3.11 115.11 116.01 3bgr h GLN 524 Ca 0.25 -0.55 0.05 0.00 -1.45 0.00 0.00 58.65 56.94 3bgr h GLN 524 Cb -0.09 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 3bgr h GLN 524 CO -0.05 1.17 0.49 -0.07 -0.95 0.00 0.00 178.83 179.42 3bgr h LEU 525 N 0.55 0.78 -1.63 1.46 3.38 -0.01 -1.80 115.31 118.03 3bgr h LEU 525 Ca -0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3bgr h LEU 525 Cb 1.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3bgr h LEU 525 CO 0.14 0.51 -0.01 0.40 0.09 0.00 0.00 178.44 179.57 3bgr h ILE 526 N 0.91 1.11 0.00 1.22 2.04 -1.30 -2.49 117.51 119.00 3bgr h ILE 526 Ca 0.33 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 3bgr h ILE 526 Cb 0.11 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3bgr h ILE 526 CO -0.15 0.14 -0.23 0.11 0.00 0.00 0.00 178.15 178.02 3bgr h LYS 527 N 0.22 0.00 -7.36 2.37 1.57 -1.27 -3.47 116.57 108.64 3bgr h LYS 527 Ca 0.05 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.32 3bgr h LYS 527 Cb 0.17 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.55 3bgr h LYS 527 CO 0.00 0.23 0.40 0.15 -0.57 0.00 0.00 179.45 179.67 3bgr s LYS 528 N -3.16 3.36 -0.21 3.15 -0.14 -0.94 -4.99 119.74 116.81 3bgr s LYS 528 Ca 0.05 0.80 -0.06 0.00 -1.36 0.00 0.00 55.97 55.41 3bgr s LYS 528 Cb 0.07 -2.05 -0.19 0.00 -1.68 0.00 0.00 37.83 33.97 3bgr s LYS 528 CO 0.69 -0.75 -0.01 0.39 -0.76 0.00 0.00 175.35 174.91 3bgr n GLU 529 N -2.88 0.67 -3.78 1.68 1.02 0.08 -4.95 120.64 112.49 3bgr n GLU 529 Ca 0.06 0.25 -0.15 0.00 -0.02 0.00 0.00 57.16 57.30 3bgr n GLU 529 Cb 0.54 -1.60 -0.16 0.00 -0.02 0.00 0.00 31.44 30.20 3bgr n GLU 529 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3bgr s LYS 530 N -2.51 -0.03 -0.06 3.49 1.02 -0.93 -4.98 119.74 115.73 3bgr s LYS 530 Ca -0.31 0.18 -0.01 0.00 0.02 0.00 0.00 55.97 55.86 3bgr s LYS 530 Cb 0.09 -0.25 0.03 0.00 -0.52 0.00 0.00 37.83 37.17 3bgr s LYS 530 CO 0.64 -0.17 -0.01 0.08 -0.92 0.00 0.00 175.35 174.97 3bgr s VAL 531 N 1.06 0.38 -0.21 3.17 1.01 -1.26 -1.47 120.40 123.07 3bgr s VAL 531 Ca -0.09 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 3bgr s VAL 531 Cb -0.13 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 3bgr s VAL 531 CO -0.03 0.24 -0.05 -0.47 0.00 0.00 0.00 175.10 174.79 3bgr s TYR 532 N 1.67 2.95 -0.26 5.22 5.04 -0.91 -0.49 117.35 130.56 3bgr s TYR 532 Ca 0.00 -0.93 -0.07 0.00 -2.44 0.00 0.00 57.07 53.63 3bgr s TYR 532 Cb -0.13 -2.09 -0.02 0.00 0.35 0.00 0.00 41.96 40.08 3bgr s TYR 532 CO -0.04 -0.53 0.06 -1.17 -1.34 0.00 0.00 175.55 172.53 3bgr s LEU 533 N 1.40 3.50 -0.04 6.97 2.96 -1.26 -0.31 118.68 131.91 3bgr s LEU 533 Ca 0.05 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 3bgr s LEU 533 Cb -0.14 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 3bgr s LEU 533 CO -0.03 -0.08 -0.18 0.00 -1.32 0.00 0.00 176.35 174.74 3bgr s ALA 534 N 1.57 2.50 0.02 5.97 0.00 0.43 -4.98 121.76 127.26 3bgr s ALA 534 Ca 0.05 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3bgr s ALA 534 Cb -0.16 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 3bgr s ALA 534 CO 0.03 0.55 -0.01 -0.46 0.00 0.00 0.00 175.76 175.87 3bgr s TRP 535 N -0.70 3.04 0.03 0.00 -0.00 -1.26 -1.10 118.94 118.95 3bgr s TRP 535 Ca 0.11 0.05 -0.00 0.00 -0.00 0.00 0.00 56.10 56.25 3bgr s TRP 535 Cb -0.10 -1.64 -0.02 0.00 -0.00 0.00 0.00 33.47 31.70 3bgr s TRP 535 CO 0.00 0.45 -0.02 0.14 -0.00 0.00 0.00 176.95 177.52 3bgr s VAL 536 N -1.12 0.14 0.28 5.86 -7.23 -0.45 -4.94 120.40 112.95 3bgr s VAL 536 Ca 0.20 -1.14 -0.29 0.00 -1.81 0.00 0.00 61.98 58.94 3bgr s VAL 536 Cb -0.11 -0.60 -0.10 0.00 0.56 0.00 0.00 36.38 36.13 3bgr s VAL 536 CO 0.11 -0.63 1.25 -2.84 -0.31 0.00 0.00 175.10 172.69 3bgr s PRO 537 N -2.11 4.44 0.63 4.82 0.02 -1.26 -4.07 135.00 137.47 3bgr s PRO 537 Ca -0.10 2.06 -0.15 0.00 0.02 0.00 0.00 61.00 62.84 3bgr s PRO 537 Cb -0.05 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 3bgr s PRO 537 CO -0.03 -0.10 1.07 0.00 -0.33 0.00 0.00 177.00 177.61 3bgr s ALA 538 N -0.82 2.66 -1.38 -1.55 0.00 -1.26 -3.96 121.76 115.44 3bgr s ALA 538 Ca 0.50 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 3bgr s ALA 538 Cb -0.37 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.53 3bgr s ALA 538 CO 0.46 -1.00 0.37 0.72 0.00 0.00 0.00 175.76 176.31 3bgr n HIS 539 N -2.32 -1.69 -1.04 0.00 8.25 -1.26 -4.86 115.22 112.31 3bgr n HIS 539 Ca 0.09 0.34 0.08 0.00 -0.26 0.00 0.00 57.72 57.97 3bgr n HIS 539 Cb 0.53 -3.55 0.23 0.00 1.12 0.00 0.00 29.99 28.32 3bgr n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3bgr n LYS 540 N -3.56 2.55 -2.38 -0.41 4.76 -1.25 -4.94 118.16 112.92 3bgr n LYS 540 Ca -0.10 -2.81 -0.20 0.00 -2.87 0.00 0.00 58.31 52.32 3bgr n LYS 540 Cb 0.60 -1.78 -0.01 0.00 -1.84 0.00 0.00 35.03 32.00 3bgr n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bgr n GLY 541 N -0.73 -0.44 3.76 0.72 0.00 -1.26 -4.96 105.19 102.28 3bgr n GLY 541 Ca 0.21 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3bgr n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bgr s ILE 542 N -3.01 4.75 0.38 -0.61 1.01 -1.26 -5.00 121.20 117.48 3bgr s ILE 542 Ca 0.00 1.49 -0.20 0.00 0.00 0.00 0.00 60.65 61.94 3bgr s ILE 542 Cb 0.00 -4.04 -0.15 0.00 0.01 0.00 0.00 42.46 38.28 3bgr s ILE 542 CO 0.00 0.41 0.07 0.61 0.00 0.00 0.00 174.94 176.03 3bgr n GLY 543 N 2.29 -2.61 4.07 6.18 0.00 -1.26 -2.62 105.19 111.25 3bgr n GLY 543 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3bgr n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bgr n GLY 544 N 2.21 0.00 2.86 -0.02 0.00 -1.26 -4.71 105.19 104.27 3bgr n GLY 544 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 3bgr n GLY 544 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3bgr n ASN 545 N 0.00 1.37 -3.85 1.61 4.05 -1.08 -4.74 115.26 112.62 3bgr n ASN 545 Ca 0.00 -2.06 -0.37 0.00 0.45 0.00 0.00 54.58 52.59 3bgr n ASN 545 Cb 0.00 -0.64 -0.09 0.00 1.23 0.00 0.00 39.78 40.28 3bgr n ASN 545 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 3bgr n GLU 546 N 4.64 0.71 -0.02 1.20 -0.00 -1.26 -4.64 120.64 121.27 3bgr n GLU 546 Ca 0.12 -1.58 -0.03 0.00 -0.00 0.00 0.00 57.16 55.67 3bgr n GLU 546 Cb 0.04 -3.03 0.20 0.00 -0.00 0.00 0.00 31.44 28.66 3bgr n GLU 546 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 3bgr h GLN 547 N 9.56 0.58 -0.25 3.44 5.75 -1.94 -3.12 115.11 129.13 3bgr h GLN 547 Ca 0.27 -0.19 0.06 0.00 -0.15 0.00 0.00 58.65 58.64 3bgr h GLN 547 Cb 0.77 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.20 3bgr h GLN 547 CO 1.75 0.71 -0.24 -0.39 -2.65 0.00 0.00 178.83 178.01 3bgr h VAL 548 N 0.53 0.39 -0.94 2.39 -1.51 -1.98 1.29 116.25 116.42 3bgr h VAL 548 Ca 0.09 0.00 0.24 0.00 -1.23 0.00 0.00 66.70 65.80 3bgr h VAL 548 Cb 0.56 0.39 -0.06 0.00 -2.13 0.00 0.00 31.29 30.05 3bgr h VAL 548 CO 0.04 0.00 0.64 0.44 -1.23 0.00 0.00 177.57 177.45 3bgr h ASP 549 N -0.25 0.27 0.12 4.19 5.19 -1.94 -0.88 116.42 123.12 3bgr h ASP 549 Ca 0.14 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3bgr h ASP 549 Cb 0.46 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.96 3bgr h ASP 549 CO -0.39 0.09 -1.39 0.29 -3.12 0.00 0.00 179.24 174.72 3bgr n LYS 550 N -4.44 0.33 0.26 3.56 4.76 0.21 -4.24 118.16 118.59 3bgr n LYS 550 Ca 0.21 -0.08 0.13 0.00 -2.87 0.00 0.00 58.31 55.70 3bgr n LYS 550 Cb 0.84 -1.54 0.72 0.00 -1.84 0.00 0.00 35.03 33.21 3bgr n LYS 550 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3bgr h LEU 551 N 0.00 0.00 0.00 -0.35 3.38 0.30 -3.41 115.31 115.23 3bgr h LEU 551 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bgr h LEU 551 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3bgr h LEU 551 CO 0.00 0.12 0.00 0.52 0.09 0.00 0.00 178.44 179.17