#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkx s LYS 2 N 0.00 4.00 -0.20 2.12 2.20 0.01 -5.01 119.74 122.86 2bkx s LYS 2 Ca 0.00 -0.05 -0.05 0.00 -0.36 0.00 0.00 55.97 55.51 2bkx s LYS 2 Cb 0.00 -3.65 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 2bkx s LYS 2 CO 0.00 -0.24 -0.00 0.08 -0.36 0.00 0.00 175.35 174.83 2bkx s VAL 3 N 1.96 3.96 -0.20 4.02 1.01 -1.26 -0.25 120.40 129.64 2bkx s VAL 3 Ca 0.13 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2bkx s VAL 3 Cb -0.16 -2.79 0.04 0.00 0.00 0.00 0.00 36.38 33.47 2bkx s VAL 3 CO 0.10 0.43 -0.13 -0.32 0.00 0.00 0.00 175.10 175.18 2bkx s MET 4 N 0.95 2.33 0.17 2.72 1.75 0.24 -4.97 119.30 122.49 2bkx s MET 4 Ca 0.01 -0.88 -0.30 0.00 -1.25 0.00 0.00 55.69 53.28 2bkx s MET 4 Cb -0.14 -2.48 -0.07 0.00 2.84 0.00 0.00 34.83 34.97 2bkx s MET 4 CO 0.02 -0.37 1.04 -2.00 -0.65 0.00 0.00 175.02 173.06 2bkx s GLU 5 N 1.34 4.66 0.00 4.11 2.12 -1.26 -1.60 118.70 128.07 2bkx s GLU 5 Ca -0.00 1.62 0.04 0.00 0.36 0.00 0.00 54.97 56.99 2bkx s GLU 5 Cb -0.16 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 2bkx s GLU 5 CO -0.09 0.17 -0.12 0.00 -0.54 0.00 0.00 175.26 174.68 2bkx h GLN 7 N 4.72 0.26 -4.00 0.00 4.15 -1.95 -2.74 115.11 115.54 2bkx h GLN 7 Ca -0.48 -0.16 -0.11 0.00 0.77 0.00 0.00 58.65 58.67 2bkx h GLN 7 Cb 1.16 0.02 -0.14 0.00 0.21 0.00 0.00 27.48 28.73 2bkx h GLN 7 CO 0.51 0.73 -0.43 0.95 -1.93 0.00 0.00 178.83 178.65 2bkx s THR 8 N -3.91 0.11 0.32 2.39 -4.23 -1.26 -4.36 115.64 104.71 2bkx s THR 8 Ca -0.04 -1.47 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 2bkx s THR 8 Cb 0.12 -1.70 0.29 0.00 1.34 0.00 0.00 72.50 72.55 2bkx s THR 8 CO 0.79 -0.51 1.93 0.22 -0.54 0.00 0.00 174.62 176.51 2bkx h TYR 9 N 2.73 0.94 -0.55 3.99 3.20 -1.99 -1.25 116.97 124.03 2bkx h TYR 9 Ca -0.33 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.46 2bkx h TYR 9 Cb 1.20 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 2bkx h TYR 9 CO 0.43 0.49 -0.04 0.93 -1.64 0.00 0.00 178.16 178.33 2bkx h GLU 10 N 0.93 0.99 -0.28 1.82 3.07 -1.99 0.15 114.58 119.26 2bkx h GLU 10 Ca 0.36 -0.32 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 2bkx h GLU 10 Cb 0.23 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2bkx h GLU 10 CO -0.13 0.99 -0.23 1.49 -1.40 0.00 0.00 179.01 179.74 2bkx h GLU 11 N 0.90 0.65 -0.56 2.33 4.81 -1.85 -0.97 114.58 119.88 2bkx h GLU 11 Ca 0.16 -0.32 0.11 0.00 -0.13 0.00 0.00 59.36 59.17 2bkx h GLU 11 Cb 0.58 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.88 2bkx h GLU 11 CO 0.03 0.92 0.09 1.25 -0.73 0.00 0.00 179.01 180.57 2bkx h LEU 12 N 0.38 -0.06 -0.70 1.64 6.46 -1.05 -0.89 115.31 121.09 2bkx h LEU 12 Ca 0.05 0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.84 2bkx h LEU 12 Cb 0.78 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.85 2bkx h LEU 12 CO 0.06 -0.01 0.09 0.28 -0.62 0.00 0.00 178.44 178.24 2bkx h SER 13 N 0.22 1.05 -0.12 1.25 0.02 -0.78 -0.55 113.55 114.64 2bkx h SER 13 Ca 0.29 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2bkx h SER 13 Cb 0.43 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2bkx h SER 13 CO -0.40 1.05 0.06 -0.61 -1.14 0.00 0.00 176.83 175.78 2bkx h GLN 14 N 1.02 0.12 -0.55 3.45 4.15 -0.75 -0.67 115.11 121.88 2bkx h GLN 14 Ca 0.20 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.50 2bkx h GLN 14 Cb 0.45 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2bkx h GLN 14 CO 0.01 0.08 -0.11 0.82 -1.93 0.00 0.00 178.83 177.70 2bkx h ILE 15 N 0.12 1.27 -0.53 2.39 2.04 -1.02 -1.44 117.51 120.34 2bkx h ILE 15 Ca 0.05 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 2bkx h ILE 15 Cb 0.01 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2bkx h ILE 15 CO -0.04 0.45 0.14 0.00 0.00 0.00 0.00 178.15 178.71 2bkx h ALA 16 N 0.93 0.70 -0.74 1.87 0.00 -1.04 -0.85 119.26 120.13 2bkx h ALA 16 Ca 0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2bkx h ALA 16 Cb 0.69 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2bkx h ALA 16 CO 0.05 0.39 0.27 0.00 0.00 0.00 0.00 179.25 179.95 2bkx h ALA 17 N 1.02 1.08 -0.41 0.00 0.00 -0.97 -1.43 119.26 118.55 2bkx h ALA 17 Ca 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2bkx h ALA 17 Cb 0.31 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2bkx h ALA 17 CO -0.00 0.64 0.10 -0.09 0.00 0.00 0.00 179.25 179.90 2bkx h ARG 18 N 1.08 0.66 -0.64 0.00 9.65 -0.84 0.21 114.38 124.50 2bkx h ARG 18 Ca 0.24 -0.16 -0.02 0.00 -1.10 0.00 0.00 59.98 58.94 2bkx h ARG 18 Cb 0.24 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 2bkx h ARG 18 CO -0.02 0.68 0.31 0.82 2.80 0.00 0.00 179.97 184.56 2bkx h ILE 19 N 0.52 1.22 -0.34 1.20 2.04 -1.00 0.83 117.51 121.98 2bkx h ILE 19 Ca 0.13 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2bkx h ILE 19 Cb 0.32 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2bkx h ILE 19 CO 0.00 0.25 0.13 0.74 0.00 0.00 0.00 178.15 179.27 2bkx h THR 20 N 0.88 1.19 -0.81 -0.27 2.02 -1.04 -2.11 112.91 112.77 2bkx h THR 20 Ca 0.22 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.82 2bkx h THR 20 Cb 0.12 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 2bkx h THR 20 CO -0.03 0.21 0.53 0.00 0.37 0.00 0.00 175.52 176.61 2bkx h ALA 21 N 0.97 1.50 -0.71 6.16 0.00 -0.28 -1.93 119.26 124.95 2bkx h ALA 21 Ca 0.11 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2bkx h ALA 21 Cb 0.21 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2bkx h ALA 21 CO -0.01 0.43 0.45 -0.44 0.00 0.00 0.00 179.25 179.68 2bkx h ASP 22 N 1.01 0.74 -0.60 0.00 3.32 -0.44 -0.31 116.42 120.14 2bkx h ASP 22 Ca 0.32 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 2bkx h ASP 22 Cb 0.02 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2bkx h ASP 22 CO -0.09 0.51 0.28 0.74 -1.72 0.00 0.00 179.24 178.96 2bkx h THR 23 N 0.88 1.22 -0.49 0.35 2.02 -0.71 -1.39 112.91 114.78 2bkx h THR 23 Ca 0.29 -0.63 -0.11 0.00 0.77 0.00 0.00 66.41 66.73 2bkx h THR 23 Cb 0.02 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2bkx h THR 23 CO -0.11 0.25 -0.12 0.40 0.37 0.00 0.00 175.52 176.32 2bkx h ILE 24 N 0.83 1.27 0.07 3.11 2.04 -0.84 -2.43 117.51 121.56 2bkx h ILE 24 Ca 0.21 -1.24 -0.26 0.00 1.00 0.00 0.00 64.86 64.56 2bkx h ILE 24 Cb 0.14 1.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2bkx h ILE 24 CO -0.02 0.43 -1.11 0.11 0.00 0.00 0.00 178.15 177.56 2bkx h LYS 25 N 0.82 0.46 -0.18 2.37 1.79 -0.91 -2.56 116.57 118.36 2bkx h LYS 25 Ca 0.13 -0.58 -0.09 0.00 -2.18 0.00 0.00 60.65 57.92 2bkx h LYS 25 Cb 0.65 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.48 2bkx h LYS 25 CO 0.05 1.23 -0.30 1.49 -1.08 0.00 0.00 179.45 180.83 2bkx h GLU 26 N 0.22 0.36 -2.76 3.15 4.81 -1.26 -3.37 114.58 115.73 2bkx h GLU 26 Ca -0.13 -0.14 -0.59 0.00 -0.13 0.00 0.00 59.36 58.37 2bkx h GLU 26 Cb 1.77 -0.02 -0.39 0.00 0.63 0.00 0.00 28.75 30.74 2bkx h GLU 26 CO 0.20 0.63 -0.81 0.21 -0.73 0.00 0.00 179.01 178.51 2bkx s LYS 27 N -4.38 0.78 0.64 1.92 2.20 -0.92 -5.00 119.74 114.97 2bkx s LYS 27 Ca -0.06 -1.50 0.37 0.00 -0.36 0.00 0.00 55.97 54.42 2bkx s LYS 27 Cb 0.14 -1.65 2.08 0.00 -1.51 0.00 0.00 37.83 36.88 2bkx s LYS 27 CO 0.78 -1.18 2.26 -1.35 -0.36 0.00 0.00 175.35 175.50 2bkx h PRO 28 N 7.02 0.00 -0.83 4.03 0.11 -1.63 0.55 132.00 141.25 2bkx h PRO 28 Ca 0.02 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.90 2bkx h PRO 28 Cb 0.96 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.93 2bkx h PRO 28 CO 0.35 0.00 0.29 -0.40 -0.21 0.00 0.00 178.00 178.03 2bkx n ASP 29 N -3.38 4.33 -4.72 -2.05 5.75 -1.26 -2.55 116.55 112.67 2bkx n ASP 29 Ca -0.02 -3.09 -0.37 0.00 -0.01 0.00 0.00 54.79 51.30 2bkx n ASP 29 Cb 0.14 -0.73 0.08 0.00 -1.03 0.00 0.00 41.12 39.58 2bkx n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bkx n ALA 30 N -0.21 0.93 -2.87 2.12 0.00 0.18 -4.63 120.51 116.03 2bkx n ALA 30 Ca 0.38 -0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.38 2bkx n ALA 30 Cb 1.29 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 18.32 2bkx n ALA 30 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2bkx s VAL 31 N -1.49 4.57 -0.19 0.00 1.01 -1.26 -1.27 120.40 121.78 2bkx s VAL 31 Ca 0.81 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 2bkx s VAL 31 Cb -0.37 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2bkx s VAL 31 CO 0.42 0.02 0.10 -0.76 0.00 0.00 0.00 175.10 174.89 2bkx s LEU 32 N 1.60 4.06 -0.13 3.92 1.43 0.23 -0.30 118.68 129.48 2bkx s LEU 32 Ca 0.04 0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 53.13 2bkx s LEU 32 Cb -0.17 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 2bkx s LEU 32 CO 0.06 0.19 0.53 -0.83 0.23 0.00 0.00 176.35 176.53 2bkx s GLY 33 N 0.28 2.33 0.26 -3.19 0.00 0.90 -0.96 107.32 106.94 2bkx s GLY 33 Ca 0.06 -0.19 0.08 0.00 0.00 0.00 0.00 44.72 44.67 2bkx s GLY 33 CO -0.01 0.94 -0.10 1.08 0.00 0.00 0.00 173.10 175.01 2bkx s LEU 34 N 0.96 2.53 0.10 0.66 1.43 0.24 -0.75 118.68 123.85 2bkx s LEU 34 Ca 0.27 -1.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.29 2bkx s LEU 34 Cb -0.16 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 2bkx s LEU 34 CO 0.11 -0.24 -0.10 0.00 0.23 0.00 0.00 176.35 176.35 2bkx s ALA 35 N -2.92 1.09 0.00 4.21 0.00 -1.26 -1.67 121.76 121.21 2bkx s ALA 35 Ca 0.28 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2bkx s ALA 35 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2bkx s ALA 35 CO 0.11 -0.04 0.00 0.25 0.00 0.00 0.00 175.76 176.08 2bkx n THR 36 N 0.56 0.00 -0.14 0.00 -2.24 -1.26 -4.88 114.28 106.32 2bkx n THR 36 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2bkx n THR 36 Cb 0.58 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2bkx n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bkx n GLY 37 N 5.00 -3.58 0.25 3.38 0.00 -1.26 -4.58 105.19 104.41 2bkx n GLY 37 Ca 0.00 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 2bkx n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bkx h GLY 38 N 0.00 0.80 1.00 -0.02 0.00 -2.02 -3.36 103.07 99.47 2bkx h GLY 38 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.61 2bkx h GLY 38 CO 0.00 0.66 0.38 -0.84 0.00 0.00 0.00 176.54 176.74 2bkx h THR 39 N 0.63 1.15 -0.16 4.70 2.02 -1.96 -2.54 112.91 116.76 2bkx h THR 39 Ca 0.07 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2bkx h THR 39 Cb 0.81 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2bkx h THR 39 CO 0.07 0.15 0.00 -0.81 0.37 0.00 0.00 175.52 175.30 2bkx n PRO 40 N -4.67 1.52 -0.16 6.66 -0.04 -1.26 -4.28 135.00 132.78 2bkx n PRO 40 Ca 0.04 -0.80 -0.03 0.00 -0.04 0.00 0.00 63.50 62.67 2bkx n PRO 40 Cb 0.02 -1.30 0.07 0.00 -0.04 0.00 0.00 33.50 32.25 2bkx n PRO 40 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2bkx h GLU 41 N 1.50 0.30 -0.33 0.54 4.39 -1.62 -1.50 114.58 117.86 2bkx h GLU 41 Ca 0.00 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 2bkx h GLU 41 Cb 0.33 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2bkx h GLU 41 CO 0.00 0.20 -0.07 0.78 -1.16 0.00 0.00 179.01 178.76 2bkx h GLY 42 N 0.31 0.58 0.98 -3.84 0.00 -1.81 -2.06 103.07 97.23 2bkx h GLY 42 Ca 0.25 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 2bkx h GLY 42 CO -0.28 0.35 0.24 -0.84 0.00 0.00 0.00 176.54 176.01 2bkx h THR 43 N 0.50 1.13 -0.80 4.70 2.02 -1.52 -0.68 112.91 118.27 2bkx h THR 43 Ca 0.10 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 2bkx h THR 43 Cb 0.43 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 2bkx h THR 43 CO 0.02 0.13 0.33 1.88 0.37 0.00 0.00 175.52 178.25 2bkx h TYR 44 N 0.52 1.20 -0.66 3.16 0.05 -1.17 0.02 116.97 120.09 2bkx h TYR 44 Ca 0.14 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 2bkx h TYR 44 Cb 0.00 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.35 2bkx h TYR 44 CO -0.03 0.90 0.36 0.00 -1.05 0.00 0.00 178.16 178.34 2bkx h ARG 45 N 1.15 0.92 -0.13 4.88 3.08 -1.10 -1.56 114.38 121.62 2bkx h ARG 45 Ca 0.27 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 60.05 2bkx h ARG 45 Cb 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2bkx h ARG 45 CO -0.02 0.70 -0.61 0.37 -1.07 0.00 0.00 179.97 179.33 2bkx h GLN 46 N 0.91 0.44 -0.81 0.04 5.75 -0.80 -1.43 115.11 119.21 2bkx h GLN 46 Ca 0.23 -0.30 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 2bkx h GLN 46 Cb 0.04 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.59 2bkx h GLN 46 CO -0.04 0.92 0.53 -0.07 -2.65 0.00 0.00 178.83 177.51 2bkx h LEU 47 N 0.33 0.88 -0.82 -2.39 3.38 -0.68 -0.50 115.31 115.52 2bkx h LEU 47 Ca -0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2bkx h LEU 47 Cb 1.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2bkx h LEU 47 CO 0.11 0.62 0.19 0.40 0.09 0.00 0.00 178.44 179.84 2bkx h ILE 48 N 1.04 1.25 -0.57 1.22 2.04 -1.09 -1.78 117.51 119.63 2bkx h ILE 48 Ca 0.31 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2bkx h ILE 48 Cb -0.04 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2bkx h ILE 48 CO -0.10 0.35 0.26 -0.09 0.00 0.00 0.00 178.15 178.58 2bkx h ARG 49 N 1.02 0.84 -0.07 2.37 2.43 -0.71 -2.35 114.38 117.91 2bkx h ARG 49 Ca 0.22 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2bkx h ARG 49 Cb 0.33 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2bkx h ARG 49 CO -0.00 0.70 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.99 2bkx h LEU 50 N 0.78 0.10 -1.08 3.80 3.38 -0.78 0.14 115.31 121.65 2bkx h LEU 50 Ca 0.19 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.28 2bkx h LEU 50 Cb 0.15 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 2bkx h LEU 50 CO -0.02 0.21 0.62 -0.74 0.09 0.00 0.00 178.44 178.60 2bkx h HIS 51 N 0.11 1.06 0.00 1.13 2.76 -0.78 0.41 115.15 119.83 2bkx h HIS 51 Ca 0.02 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 2bkx h HIS 51 Cb 0.24 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 2bkx h HIS 51 CO 0.00 0.39 -0.31 1.96 -1.30 0.00 0.00 177.93 178.67 2bkx h GLN 52 N 0.90 0.00 0.00 5.26 7.50 -1.09 -3.03 115.11 124.65 2bkx h GLN 52 Ca 0.49 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.56 2bkx h GLN 52 Cb 0.59 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.10 2bkx h GLN 52 CO -0.26 0.64 -0.42 1.79 -1.50 0.00 0.00 178.83 179.08 2bkx h THR 53 N -1.00 1.01 0.00 -0.54 1.35 -0.71 -3.24 112.91 109.78 2bkx h THR 53 Ca -0.07 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2bkx h THR 53 Cb 0.76 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2bkx h THR 53 CO -0.04 0.41 0.00 -0.62 -0.25 0.00 0.00 175.52 175.02 2bkx n GLU 54 N -3.61 2.20 -4.31 4.72 1.02 0.12 -5.00 120.64 115.77 2bkx n GLU 54 Ca -0.01 -1.28 -0.36 0.00 -0.02 0.00 0.00 57.16 55.49 2bkx n GLU 54 Cb 0.52 -0.98 -0.06 0.00 -0.02 0.00 0.00 31.44 30.91 2bkx n GLU 54 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2bkx n ASN 55 N -0.39 -1.41 -4.70 1.62 5.15 -1.10 -4.89 115.26 109.53 2bkx n ASN 55 Ca 0.00 -1.15 -0.42 0.00 -0.60 0.00 0.00 54.58 52.41 2bkx n ASN 55 Cb 0.22 -2.15 -0.03 0.00 -0.53 0.00 0.00 39.78 37.29 2bkx n ASN 55 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2bkx s LEU 56 N -7.25 4.35 -0.09 1.20 2.96 -1.11 -4.98 118.68 113.76 2bkx s LEU 56 Ca 0.50 2.22 -0.02 0.00 -0.22 0.00 0.00 54.13 56.61 2bkx s LEU 56 Cb -0.28 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.80 2bkx s LEU 56 CO 0.97 -0.69 0.00 -0.55 -1.32 0.00 0.00 176.35 174.77 2bkx s SER 57 N 1.53 5.25 -0.04 3.68 0.15 -1.26 -4.40 113.70 118.60 2bkx s SER 57 Ca 0.64 0.14 0.13 0.00 0.70 0.00 0.00 55.95 57.56 2bkx s SER 57 Cb -0.34 -1.51 0.39 0.00 -1.71 0.00 0.00 66.02 62.86 2bkx s SER 57 CO 0.29 0.37 1.32 0.49 1.20 0.00 0.00 173.24 176.91 2bkx n PHE 58 N 2.22 0.65 0.06 3.44 3.01 -1.26 -4.80 117.46 120.78 2bkx n PHE 58 Ca -0.19 -0.59 0.14 0.00 1.01 0.00 0.00 57.45 57.82 2bkx n PHE 58 Cb 0.54 -0.10 0.61 0.00 -0.01 0.00 0.00 39.48 40.52 2bkx n PHE 58 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2bkx h GLN 59 N 2.19 0.13 -0.25 -1.08 5.75 -1.88 -2.80 115.11 117.17 2bkx h GLN 59 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2bkx h GLN 59 Cb 0.94 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.46 2bkx h GLN 59 CO 0.06 0.08 0.00 0.09 -2.65 0.00 0.00 178.83 176.42 2bkx n ASN 60 N -4.46 2.62 -4.82 -0.69 4.13 -1.25 -4.07 115.26 106.73 2bkx n ASN 60 Ca 0.06 -1.86 -0.33 0.00 1.68 0.00 0.00 54.58 54.13 2bkx n ASN 60 Cb 0.36 -0.16 -0.04 0.00 -1.54 0.00 0.00 39.78 38.40 2bkx n ASN 60 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2bkx s ILE 61 N -0.97 4.16 0.05 2.41 -4.36 -1.06 -4.02 121.20 117.41 2bkx s ILE 61 Ca 0.19 1.20 0.09 0.00 -0.26 0.00 0.00 60.65 61.87 2bkx s ILE 61 Cb 0.11 -3.55 -0.03 0.00 1.25 0.00 0.00 42.46 40.24 2bkx s ILE 61 CO 0.14 -0.43 -0.25 -0.89 0.24 0.00 0.00 174.94 173.75 2bkx s THR 62 N -2.30 2.02 0.07 8.37 2.01 -0.39 -4.70 115.64 120.72 2bkx s THR 62 Ca 0.63 -1.35 0.05 0.00 0.31 0.00 0.00 61.69 61.33 2bkx s THR 62 Cb -0.12 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 2bkx s THR 62 CO 0.24 0.32 -0.14 0.42 -0.69 0.00 0.00 174.62 174.77 2bkx s THR 63 N -0.81 1.14 -0.04 -0.82 -4.23 -0.37 -0.61 115.64 109.90 2bkx s THR 63 Ca 0.11 -1.27 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 2bkx s THR 63 Cb -0.10 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.67 2bkx s THR 63 CO 0.02 -0.18 -0.13 0.68 -0.54 0.00 0.00 174.62 174.47 2bkx s VAL 64 N -1.20 1.10 0.23 2.29 -7.23 -0.13 -0.78 120.40 114.67 2bkx s VAL 64 Ca -0.01 -0.51 -0.02 0.00 -1.81 0.00 0.00 61.98 59.63 2bkx s VAL 64 Cb -0.10 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 2bkx s VAL 64 CO 0.02 0.33 0.44 0.20 -0.31 0.00 0.00 175.10 175.79 2bkx s ASN 65 N 0.32 6.40 0.20 4.85 0.01 -0.38 -0.60 114.94 125.75 2bkx s ASN 65 Ca -0.07 0.49 -0.10 0.00 -0.71 0.00 0.00 52.86 52.46 2bkx s ASN 65 Cb -0.12 -2.05 0.14 0.00 0.41 0.00 0.00 41.25 39.64 2bkx s ASN 65 CO 0.02 -0.09 1.83 -0.07 -1.51 0.00 0.00 177.10 177.28 2bkx h LEU 66 N 1.89 0.90 -7.50 0.60 3.38 -1.68 -3.43 115.31 109.47 2bkx h LEU 66 Ca -0.48 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.44 2bkx h LEU 66 Cb 1.19 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.63 2bkx h LEU 66 CO 0.67 0.72 0.24 1.51 0.09 0.00 0.00 178.44 181.68 2bkx s ASP 67 N -6.02 -0.40 -0.06 -0.43 3.84 -1.26 -0.54 116.67 111.80 2bkx s ASP 67 Ca -0.13 -0.31 -0.22 0.00 -0.00 0.00 0.00 52.55 51.89 2bkx s ASP 67 Cb 0.15 0.65 0.05 0.00 -1.38 0.00 0.00 42.92 42.38 2bkx s ASP 67 CO 0.79 -1.14 0.50 -0.70 -0.00 0.00 0.00 175.17 174.62 2bkx s GLU 68 N -3.79 0.82 0.34 2.11 2.56 -0.52 -4.70 118.70 115.52 2bkx s GLU 68 Ca 0.06 0.15 -0.27 0.00 0.00 0.00 0.00 54.97 54.91 2bkx s GLU 68 Cb -0.03 0.38 -0.09 0.00 2.00 0.00 0.00 34.13 36.39 2bkx s GLU 68 CO -0.03 -0.23 1.12 0.71 -0.56 0.00 0.00 175.26 176.27 2bkx s TYR 69 N -1.01 3.34 0.12 5.30 1.51 -1.26 -0.67 117.35 124.68 2bkx s TYR 69 Ca -0.10 1.63 -0.30 0.00 -1.01 0.00 0.00 57.07 57.29 2bkx s TYR 69 Cb -0.03 -3.30 -0.07 0.00 -0.11 0.00 0.00 41.96 38.46 2bkx s TYR 69 CO 0.06 -0.85 1.19 0.00 -1.11 0.00 0.00 175.55 174.84 2bkx s ALA 70 N -1.35 3.41 0.00 3.71 0.00 -0.33 -3.54 121.76 123.66 2bkx s ALA 70 Ca 0.51 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2bkx s ALA 70 Cb -0.30 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2bkx s ALA 70 CO 0.38 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2bkx n GLY 71 N 2.70 0.71 3.72 0.00 0.00 0.32 -4.76 105.19 107.89 2bkx n GLY 71 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2bkx n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bkx s LEU 72 N 0.00 3.92 0.70 0.99 1.43 -1.23 -4.88 118.68 119.61 2bkx s LEU 72 Ca 0.00 0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 53.21 2bkx s LEU 72 Cb 0.00 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2bkx s LEU 72 CO 0.00 0.30 1.06 -0.94 0.23 0.00 0.00 176.35 177.00 2bkx s SER 73 N -0.37 5.20 0.54 2.29 1.04 -1.26 -3.55 113.70 117.59 2bkx s SER 73 Ca 0.09 0.89 0.30 0.00 0.48 0.00 0.00 55.95 57.72 2bkx s SER 73 Cb -0.12 -1.65 1.49 0.00 0.10 0.00 0.00 66.02 65.85 2bkx s SER 73 CO 0.02 -1.43 2.06 0.77 0.98 0.00 0.00 173.24 175.64 2bkx h SER 74 N -0.63 0.00 0.19 7.02 4.64 -1.99 -1.67 113.55 121.11 2bkx h SER 74 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2bkx h SER 74 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2bkx h SER 74 CO 0.63 0.10 -0.30 -0.90 -0.87 0.00 0.00 176.83 175.49 2bkx n ASP 75 N -3.44 1.20 -4.72 4.97 5.75 -1.26 -3.36 116.55 115.69 2bkx n ASP 75 Ca -0.01 -1.00 -0.42 0.00 -0.01 0.00 0.00 54.79 53.35 2bkx n ASP 75 Cb 0.25 0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 2bkx n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bkx s ASP 76 N -2.50 6.83 0.45 -1.12 -1.08 -0.63 -4.90 116.67 113.72 2bkx s ASP 76 Ca 0.23 2.32 0.31 0.00 -0.52 0.00 0.00 52.55 54.89 2bkx s ASP 76 Cb 0.19 -2.59 1.54 0.00 -1.46 0.00 0.00 42.92 40.61 2bkx s ASP 76 CO 0.53 -0.65 1.94 1.55 0.52 0.00 0.00 175.17 179.06 2bkx h PRO 77 N 6.78 0.00 -0.02 4.34 0.13 -1.89 -0.87 132.00 140.47 2bkx h PRO 77 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2bkx h PRO 77 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2bkx h PRO 77 CO 0.86 0.00 -0.01 0.09 -0.23 0.00 0.00 178.00 178.71 2bkx n ASN 78 N -2.63 2.16 -4.80 1.44 3.02 -1.26 -4.71 115.26 108.48 2bkx n ASN 78 Ca -0.01 -1.71 -0.33 0.00 -0.03 0.00 0.00 54.58 52.50 2bkx n ASN 78 Cb 0.13 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 2bkx n ASN 78 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2bkx s SER 79 N -2.02 5.86 0.43 6.41 1.04 -0.33 -4.93 113.70 120.17 2bkx s SER 79 Ca 0.33 1.85 0.24 0.00 0.48 0.00 0.00 55.95 58.84 2bkx s SER 79 Cb 0.20 -2.54 0.59 0.00 0.10 0.00 0.00 66.02 64.38 2bkx s SER 79 CO 0.33 -1.11 1.69 1.88 0.98 0.00 0.00 173.24 177.01 2bkx h TYR 80 N 0.64 0.00 -0.15 5.02 0.99 -1.87 -2.06 116.97 119.54 2bkx h TYR 80 Ca -0.47 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.30 2bkx h TYR 80 Cb 1.22 0.00 -0.05 0.00 1.00 0.00 0.00 36.73 38.91 2bkx h TYR 80 CO 0.58 0.15 -0.13 0.45 -0.00 0.00 0.00 178.16 179.21 2bkx h HIS 81 N 0.00 -0.33 -0.36 4.88 3.86 -1.90 -0.90 115.15 120.40 2bkx h HIS 81 Ca -0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2bkx h HIS 81 Cb 0.94 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.56 2bkx h HIS 81 CO 0.00 -0.19 0.19 0.35 0.86 0.00 0.00 177.93 179.14 2bkx h PHE 82 N -0.15 0.51 -0.24 2.45 3.57 -1.49 -1.88 116.94 119.71 2bkx h PHE 82 Ca 0.10 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.64 2bkx h PHE 82 Cb 0.29 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 2bkx h PHE 82 CO -0.26 0.41 -0.12 -0.92 -2.23 0.00 0.00 178.31 175.19 2bkx h TYR 83 N 0.46 -0.29 -0.67 0.41 3.20 -1.27 0.15 116.97 118.96 2bkx h TYR 83 Ca 0.13 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 2bkx h TYR 83 Cb 0.08 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 2bkx h TYR 83 CO -0.02 -0.18 0.10 0.52 -1.64 0.00 0.00 178.16 176.93 2bkx h MET 84 N -0.09 1.12 -0.17 1.82 2.86 -0.91 0.72 114.93 120.28 2bkx h MET 84 Ca 0.13 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2bkx h MET 84 Cb 0.28 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2bkx h MET 84 CO -0.30 1.03 0.07 -0.91 1.06 0.00 0.00 176.91 177.87 2bkx h ASN 85 N 1.04 0.23 -0.30 1.22 4.21 -1.12 -0.69 115.58 120.17 2bkx h ASN 85 Ca 0.20 -0.14 -0.04 0.00 1.21 0.00 0.00 56.30 57.53 2bkx h ASN 85 Cb 0.46 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2bkx h ASN 85 CO 0.02 0.31 0.05 -0.78 -1.29 0.00 0.00 177.43 175.73 2bkx h ASP 86 N 0.13 0.49 1.58 5.81 3.58 -0.68 -1.47 116.42 125.86 2bkx h ASP 86 Ca 0.06 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 2bkx h ASP 86 Cb 0.15 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 2bkx h ASP 86 CO -0.01 0.63 -0.42 0.03 -2.88 0.00 0.00 179.24 176.59 2bkx h ARG 87 N 0.33 0.00 0.00 0.28 2.47 -0.92 -3.45 114.38 113.09 2bkx h ARG 87 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 2bkx h ARG 87 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2bkx h ARG 87 CO 0.01 0.00 0.00 0.34 0.56 0.00 0.00 179.97 180.88 2bkx n PHE 88 N -2.92 -1.89 -0.29 3.04 7.35 -0.58 -4.70 117.46 117.46 2bkx n PHE 88 Ca 0.02 0.37 -0.00 0.00 -0.76 0.00 0.00 57.45 57.08 2bkx n PHE 88 Cb 0.54 0.77 0.19 0.00 0.35 0.00 0.00 39.48 41.33 2bkx n PHE 88 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2bkx h PHE 89 N 0.00 1.09 0.00 -5.13 0.04 -1.16 -1.49 116.94 110.29 2bkx h PHE 89 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2bkx h PHE 89 Cb 0.00 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 37.78 2bkx h PHE 89 CO 0.00 0.68 0.00 0.00 -0.60 0.00 0.00 178.31 178.39 2bkx n GLN 90 N -4.41 0.08 -0.03 1.51 10.64 -0.56 -2.88 117.38 121.73 2bkx n GLN 90 Ca 0.10 0.41 0.04 0.00 -1.83 0.00 0.00 57.00 55.72 2bkx n GLN 90 Cb 0.03 -1.67 0.05 0.00 -0.86 0.00 0.00 30.24 27.79 2bkx n GLN 90 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2bkx n HIS 91 N -1.82 0.08 -4.47 2.61 8.25 -0.56 -5.02 115.22 114.29 2bkx n HIS 91 Ca 0.02 -0.10 -0.22 0.00 -0.26 0.00 0.00 57.72 57.15 2bkx n HIS 91 Cb 0.13 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.13 2bkx n HIS 91 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2bkx s ILE 92 N -0.80 1.58 -0.62 1.59 -4.36 -1.14 -4.99 121.20 112.47 2bkx s ILE 92 Ca 0.12 -2.07 -0.01 0.00 -0.26 0.00 0.00 60.65 58.42 2bkx s ILE 92 Cb 0.08 -2.64 0.45 0.00 1.25 0.00 0.00 42.46 41.60 2bkx s ILE 92 CO 0.11 -0.16 2.02 -0.90 0.24 0.00 0.00 174.94 176.25 2bkx n ASP 93 N -0.68 7.23 -4.61 4.36 5.75 -1.26 -4.98 116.55 122.36 2bkx n ASP 93 Ca -0.04 -3.70 -0.29 0.00 -0.01 0.00 0.00 54.79 50.74 2bkx n ASP 93 Cb 0.65 -0.97 0.14 0.00 -1.03 0.00 0.00 41.12 39.90 2bkx n ASP 93 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2bkx s SER 94 N -1.60 3.65 -0.43 -1.12 1.04 -1.26 -3.25 113.70 110.74 2bkx s SER 94 Ca 0.61 0.70 -0.22 0.00 0.48 0.00 0.00 55.95 57.52 2bkx s SER 94 Cb 0.48 -1.09 0.02 0.00 0.10 0.00 0.00 66.02 65.53 2bkx s SER 94 CO 0.00 -2.44 0.74 -0.54 0.98 0.00 0.00 173.24 171.99 2bkx s LYS 95 N -5.56 3.45 0.51 4.02 1.02 -1.26 -4.92 119.74 117.01 2bkx s LYS 95 Ca 0.66 -0.09 0.23 0.00 0.02 0.00 0.00 55.97 56.79 2bkx s LYS 95 Cb -0.10 -3.91 1.33 0.00 -0.52 0.00 0.00 37.83 34.62 2bkx s LYS 95 CO 0.52 -1.03 1.99 -1.35 -0.92 0.00 0.00 175.35 174.56 2bkx h PRO 96 N 8.85 0.08 0.00 -1.68 0.11 -1.97 -0.47 132.00 136.92 2bkx h PRO 96 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2bkx h PRO 96 Cb 1.09 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2bkx h PRO 96 CO 0.93 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 177.64 2bkx n SER 97 N -4.40 0.00 -1.69 -2.05 3.41 -1.26 -2.48 113.62 105.15 2bkx n SER 97 Ca 0.10 -0.06 0.09 0.00 -0.26 0.00 0.00 58.87 58.74 2bkx n SER 97 Cb 0.57 -0.25 0.38 0.00 -0.26 0.00 0.00 64.21 64.64 2bkx n SER 97 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bkx n ARG 98 N -1.25 4.05 -3.72 4.33 5.12 -0.19 -4.83 116.66 120.16 2bkx n ARG 98 Ca 0.10 -2.98 -0.37 0.00 -1.93 0.00 0.00 57.85 52.67 2bkx n ARG 98 Cb 0.15 -1.99 -0.12 0.00 -1.16 0.00 0.00 32.46 29.33 2bkx n ARG 98 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2bkx s HIS 99 N -2.07 3.12 -0.07 -1.55 3.76 -1.04 -1.23 115.29 116.21 2bkx s HIS 99 Ca 0.53 -0.49 0.04 0.00 -0.15 0.00 0.00 55.06 54.99 2bkx s HIS 99 Cb 0.35 -2.27 -0.02 0.00 1.11 0.00 0.00 32.58 31.75 2bkx s HIS 99 CO 0.23 -0.39 -0.19 -0.06 -0.85 0.00 0.00 174.74 173.48 2bkx s PHE 100 N 1.61 2.59 -0.08 1.40 0.40 0.04 -4.98 117.98 118.97 2bkx s PHE 100 Ca 0.06 -0.49 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 2bkx s PHE 100 Cb -0.16 -1.65 0.02 0.00 0.51 0.00 0.00 43.02 41.74 2bkx s PHE 100 CO 0.04 -0.06 0.21 0.42 0.70 0.00 0.00 175.22 176.53 2bkx s ILE 101 N -0.29 0.00 0.52 0.64 1.01 -1.26 -1.25 121.20 120.56 2bkx s ILE 101 Ca 0.01 -0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.42 2bkx s ILE 101 Cb -0.13 -0.30 -0.06 0.00 0.01 0.00 0.00 42.46 41.98 2bkx s ILE 101 CO 0.03 -0.01 1.39 -2.65 0.00 0.00 0.00 174.94 173.70 2bkx n PRO 102 N 2.94 1.89 -2.92 2.79 -0.02 -1.26 -4.92 135.00 133.50 2bkx n PRO 102 Ca -0.13 0.69 -0.44 0.00 -2.02 0.00 0.00 63.50 61.60 2bkx n PRO 102 Cb 0.58 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.43 2bkx n PRO 102 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2bkx s ASN 103 N -0.76 6.32 0.02 2.55 2.47 -1.26 -4.72 114.94 119.56 2bkx s ASN 103 Ca 0.68 -1.40 0.13 0.00 0.42 0.00 0.00 52.86 52.70 2bkx s ASN 103 Cb -0.43 -2.39 0.57 0.00 -1.45 0.00 0.00 41.25 37.55 2bkx s ASN 103 CO 0.52 -1.27 1.42 0.61 -3.72 0.00 0.00 177.10 174.66 2bkx n GLY 104 N 5.37 -0.95 1.16 1.21 0.00 -1.26 -2.34 105.19 108.38 2bkx n GLY 104 Ca 0.04 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.14 2bkx n GLY 104 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bkx n ASN 105 N -1.56 3.59 -4.75 1.61 4.05 -1.23 -0.52 115.26 116.46 2bkx n ASN 105 Ca 0.03 -1.98 -0.36 0.00 0.45 0.00 0.00 54.58 52.72 2bkx n ASN 105 Cb 0.15 -0.36 0.04 0.00 1.23 0.00 0.00 39.78 40.85 2bkx n ASN 105 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2bkx s ALA 106 N -1.16 2.51 0.33 5.20 0.00 -0.99 -4.92 121.76 122.72 2bkx s ALA 106 Ca 0.41 1.08 0.09 0.00 0.00 0.00 0.00 51.96 53.54 2bkx s ALA 106 Cb 0.22 -3.49 0.57 0.00 0.00 0.00 0.00 23.12 20.42 2bkx s ALA 106 CO 0.30 -1.29 1.76 -0.44 0.00 0.00 0.00 175.76 176.08 2bkx h ASP 107 N 0.81 0.15 -3.44 0.00 3.32 -1.94 -3.38 116.42 111.94 2bkx h ASP 107 Ca -0.51 -0.06 -0.62 0.00 0.02 0.00 0.00 57.03 55.86 2bkx h ASP 107 Cb 1.31 -0.04 -0.40 0.00 0.22 0.00 0.00 39.33 40.42 2bkx h ASP 107 CO 0.55 0.52 -0.74 -0.62 -1.72 0.00 0.00 179.24 177.23 2bkx s ASP 108 N -6.89 4.43 0.25 6.45 -1.08 -1.26 -4.99 116.67 113.58 2bkx s ASP 108 Ca -0.04 -1.92 0.06 0.00 -0.52 0.00 0.00 52.55 50.14 2bkx s ASP 108 Cb 0.14 -1.28 0.29 0.00 -1.46 0.00 0.00 42.92 40.61 2bkx s ASP 108 CO 0.75 -0.40 1.58 -0.07 0.52 0.00 0.00 175.17 177.55 2bkx h LEU 109 N 7.83 0.20 -0.51 -1.34 3.38 -1.94 -1.61 115.31 121.31 2bkx h LEU 109 Ca -0.08 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2bkx h LEU 109 Cb 1.02 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2bkx h LEU 109 CO 0.50 0.75 0.12 -0.33 0.09 0.00 0.00 178.44 179.57 2bkx h GLU 110 N 0.13 0.83 -0.66 1.13 5.08 -1.96 -1.25 114.58 117.88 2bkx h GLU 110 Ca -0.01 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 2bkx h GLU 110 Cb 1.09 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2bkx h GLU 110 CO 0.09 0.80 0.23 0.00 -1.00 0.00 0.00 179.01 179.12 2bkx h ALA 111 N 0.99 0.86 -0.72 3.43 0.00 -1.94 -1.92 119.26 119.96 2bkx h ALA 111 Ca 0.16 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2bkx h ALA 111 Cb 0.35 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2bkx h ALA 111 CO 0.00 0.51 0.39 1.49 0.00 0.00 0.00 179.25 181.65 2bkx h GLU 112 N 0.94 0.68 -0.61 0.00 4.57 -1.04 -1.09 114.58 118.03 2bkx h GLU 112 Ca 0.21 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 2bkx h GLU 112 Cb 0.27 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2bkx h GLU 112 CO -0.01 0.45 0.10 0.00 -1.18 0.00 0.00 179.01 178.37 2bkx h ARG 114 N 0.92 0.56 -0.45 0.00 3.08 -0.97 -1.50 114.38 116.02 2bkx h ARG 114 Ca 0.18 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 2bkx h ARG 114 Cb 0.43 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2bkx h ARG 114 CO 0.01 0.42 0.02 0.00 -1.07 0.00 0.00 179.97 179.36 2bkx h ARG 115 N 0.54 0.72 -0.40 0.04 3.08 -0.99 -1.78 114.38 115.59 2bkx h ARG 115 Ca 0.15 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2bkx h ARG 115 Cb 0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2bkx h ARG 115 CO -0.03 0.72 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.63 2bkx h TYR 116 N 0.68 0.81 -0.70 3.04 3.20 -0.73 0.34 116.97 123.61 2bkx h TYR 116 Ca 0.14 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2bkx h TYR 116 Cb 0.39 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 2bkx h TYR 116 CO 0.02 0.83 0.34 1.49 -1.64 0.00 0.00 178.16 179.20 2bkx h GLU 117 N 0.55 1.00 -0.64 1.82 4.57 -1.09 -0.66 114.58 120.12 2bkx h GLU 117 Ca 0.11 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 2bkx h GLU 117 Cb 0.54 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 2bkx h GLU 117 CO 0.03 0.79 0.21 1.96 -1.18 0.00 0.00 179.01 180.82 2bkx h GLN 118 N 0.97 0.97 -0.17 1.92 4.20 -1.03 -1.55 115.11 120.43 2bkx h GLN 118 Ca 0.24 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2bkx h GLN 118 Cb 0.12 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2bkx h GLN 118 CO -0.03 0.82 0.05 1.25 -0.67 0.00 0.00 178.83 180.26 2bkx h LEU 119 N 0.94 0.24 -0.82 1.46 5.85 -0.27 -0.58 115.31 122.14 2bkx h LEU 119 Ca 0.21 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2bkx h LEU 119 Cb 0.25 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 2bkx h LEU 119 CO -0.01 0.38 0.50 0.58 -0.34 0.00 0.00 178.44 179.54 2bkx h VAL 120 N 0.09 1.02 -0.50 1.05 2.07 -0.86 -1.31 116.25 117.81 2bkx h VAL 120 Ca 0.05 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2bkx h VAL 120 Cb 0.22 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2bkx h VAL 120 CO -0.00 0.16 0.28 -0.78 0.02 0.00 0.00 177.57 177.25 2bkx h ASP 121 N 0.90 0.61 0.30 0.57 3.58 -1.00 -2.35 116.42 119.03 2bkx h ASP 121 Ca 0.36 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 2bkx h ASP 121 Cb 0.19 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2bkx h ASP 121 CO -0.18 0.52 -0.11 0.77 -2.88 0.00 0.00 179.24 177.36 2bkx h SER 122 N 0.66 0.00 0.77 2.28 4.64 -0.23 -1.42 113.55 120.24 2bkx h SER 122 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2bkx h SER 122 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2bkx h SER 122 CO -0.03 0.11 0.00 0.18 -0.87 0.00 0.00 176.83 176.22 2bkx n LEU 123 N -3.75 0.29 0.00 5.97 4.77 -0.58 -4.88 117.00 118.81 2bkx n LEU 123 Ca -0.02 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2bkx n LEU 123 Cb 0.22 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2bkx n LEU 123 CO 0.30 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 2bkx n GLY 124 N 0.42 0.82 0.62 -0.72 0.00 -0.54 -4.93 105.19 100.87 2bkx n GLY 124 Ca 0.04 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.66 2bkx n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bkx n ASP 125 N 0.91 -3.73 -4.82 1.61 8.00 -0.91 -4.87 116.55 112.74 2bkx n ASP 125 Ca 0.00 0.35 -0.35 0.00 0.71 0.00 0.00 54.79 55.50 2bkx n ASP 125 Cb 0.04 -1.95 -0.06 0.00 -0.02 0.00 0.00 41.12 39.13 2bkx n ASP 125 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2bkx s THR 126 N -2.04 4.59 0.11 -3.53 -4.23 -1.26 -4.77 115.64 104.51 2bkx s THR 126 Ca 0.00 1.20 0.01 0.00 -1.18 0.00 0.00 61.69 61.72 2bkx s THR 126 Cb 0.00 -3.77 -0.22 0.00 1.34 0.00 0.00 72.50 69.84 2bkx s THR 126 CO 0.00 0.06 1.25 0.44 -0.54 0.00 0.00 174.62 175.83 2bkx h ASP 127 N 2.98 0.23 -4.35 3.99 3.32 -0.99 -0.99 116.42 120.61 2bkx h ASP 127 Ca -0.48 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 56.20 2bkx h ASP 127 Cb 1.19 -0.07 -0.23 0.00 0.22 0.00 0.00 39.33 40.43 2bkx h ASP 127 CO 0.65 1.14 -0.37 -0.51 -1.72 0.00 0.00 179.24 178.43 2bkx s ILE 128 N -2.81 0.03 -0.18 0.35 2.07 -1.21 -3.29 121.20 116.15 2bkx s ILE 128 Ca -0.02 -0.25 0.01 0.00 -1.41 0.00 0.00 60.65 58.98 2bkx s ILE 128 Cb 0.09 -0.47 0.04 0.00 0.13 0.00 0.00 42.46 42.25 2bkx s ILE 128 CO 0.85 -0.13 -0.11 -1.58 -1.91 0.00 0.00 174.94 172.05 2bkx s GLN 129 N -0.52 2.08 0.15 3.50 2.00 0.39 -0.07 119.66 127.19 2bkx s GLN 129 Ca -0.06 -0.74 -0.29 0.00 -2.00 0.00 0.00 55.36 52.26 2bkx s GLN 129 Cb -0.04 -2.30 -0.07 0.00 0.80 0.00 0.00 33.01 31.40 2bkx s GLN 129 CO 0.02 -0.37 0.92 -0.51 -0.50 0.00 0.00 175.29 174.84 2bkx s LEU 130 N 1.43 4.56 0.06 3.68 1.43 0.08 -1.06 118.68 128.85 2bkx s LEU 130 Ca 0.01 1.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.94 2bkx s LEU 130 Cb -0.15 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 2bkx s LEU 130 CO -0.09 0.04 -0.09 -0.76 0.23 0.00 0.00 176.35 175.68 2bkx s LEU 131 N -0.51 2.29 0.00 1.79 1.43 -0.03 -4.23 118.68 119.42 2bkx s LEU 131 Ca 0.43 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2bkx s LEU 131 Cb -0.24 -0.25 0.01 0.00 0.03 0.00 0.00 46.19 45.74 2bkx s LEU 131 CO 0.30 -0.20 0.12 0.61 0.23 0.00 0.00 176.35 177.41 2bkx n GLY 132 N 1.24 2.62 2.95 -3.19 0.00 -1.26 -1.10 105.19 106.45 2bkx n GLY 132 Ca -0.21 -2.18 -0.18 0.00 0.00 0.00 0.00 46.02 43.45 2bkx n GLY 132 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2bkx s ILE 133 N -0.32 0.53 0.85 -0.61 2.07 -1.26 -4.63 121.20 117.83 2bkx s ILE 133 Ca 0.09 -0.22 -0.11 0.00 -1.41 0.00 0.00 60.65 59.00 2bkx s ILE 133 Cb -0.01 -0.49 0.10 0.00 0.13 0.00 0.00 42.46 42.19 2bkx s ILE 133 CO 0.06 0.18 1.09 -0.83 -1.91 0.00 0.00 174.94 173.53 2bkx s GLY 134 N 0.27 1.63 0.56 1.50 0.00 -0.30 -4.89 107.32 106.09 2bkx s GLY 134 Ca -0.03 -0.00 0.25 0.00 0.00 0.00 0.00 44.72 44.93 2bkx s GLY 134 CO -0.00 0.44 2.20 3.21 0.00 0.00 0.00 173.10 178.95 2bkx h ARG 135 N -1.38 0.00 -0.66 2.90 3.08 -1.91 -0.80 114.38 115.61 2bkx h ARG 135 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2bkx h ARG 135 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2bkx h ARG 135 CO 0.54 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.71 2bkx n ASN 136 N -4.11 4.94 0.00 7.04 0.23 -1.26 -4.41 115.26 117.69 2bkx n ASN 136 Ca -0.02 -2.50 0.00 0.00 -0.53 0.00 0.00 54.58 51.53 2bkx n ASN 136 Cb 0.12 -0.60 0.00 0.00 -2.08 0.00 0.00 39.78 37.22 2bkx n ASN 136 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bkx n GLY 137 N 1.13 0.74 3.74 4.83 0.00 -0.31 -4.61 105.19 110.71 2bkx n GLY 137 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 2bkx n GLY 137 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2bkx s HIS 138 N -2.70 2.28 -0.01 1.61 -3.43 -1.26 -1.11 115.29 110.68 2bkx s HIS 138 Ca 0.00 1.53 0.05 0.00 -0.80 0.00 0.00 55.06 55.84 2bkx s HIS 138 Cb 0.00 -3.49 -0.01 0.00 -1.43 0.00 0.00 32.58 27.64 2bkx s HIS 138 CO 0.00 -2.38 -0.15 0.96 -2.00 0.00 0.00 174.74 171.17 2bkx s ILE 139 N -1.69 1.21 0.00 -5.38 -4.36 -1.22 -1.15 121.20 108.61 2bkx s ILE 139 Ca 0.77 -0.69 0.00 0.00 -0.26 0.00 0.00 60.65 60.47 2bkx s ILE 139 Cb -0.31 -1.02 0.00 0.00 1.25 0.00 0.00 42.46 42.39 2bkx s ILE 139 CO 0.37 0.32 0.00 0.61 0.24 0.00 0.00 174.94 176.48 2bkx n GLY 140 N 2.63 2.57 1.50 6.27 0.00 -1.26 -1.26 105.19 115.63 2bkx n GLY 140 Ca -0.15 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 2bkx n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bkx n PHE 141 N 14.00 1.71 -2.46 1.61 0.99 -1.26 -4.91 117.46 127.14 2bkx n PHE 141 Ca 0.00 -1.92 -0.40 0.00 -0.00 0.00 0.00 57.45 55.12 2bkx n PHE 141 Cb 0.00 -0.58 -0.03 0.00 -1.00 0.00 0.00 39.48 37.87 2bkx n PHE 141 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 2bkx s ASN 142 N -2.69 6.05 0.69 4.37 0.01 -0.39 -4.94 114.94 118.04 2bkx s ASN 142 Ca 0.49 -0.48 -0.11 0.00 -0.71 0.00 0.00 52.86 52.04 2bkx s ASN 142 Cb 0.42 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.53 2bkx s ASN 142 CO 0.00 -1.90 1.08 -1.61 -1.51 0.00 0.00 177.10 173.17 2bkx s GLU 143 N 5.86 3.03 0.24 -0.60 0.41 -1.26 -3.42 118.70 122.96 2bkx s GLU 143 Ca 0.42 0.53 -0.30 0.00 -0.41 0.00 0.00 54.97 55.21 2bkx s GLU 143 Cb -0.08 -2.04 -0.15 0.00 -1.78 0.00 0.00 34.13 30.09 2bkx s GLU 143 CO 0.12 -0.93 1.00 -2.30 -0.49 0.00 0.00 175.26 172.66 2bkx n PRO 144 N -2.95 1.12 -0.06 0.39 -0.02 -1.26 -1.66 135.00 130.56 2bkx n PRO 144 Ca 0.07 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2bkx n PRO 144 Cb 0.56 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 2bkx n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bkx n GLY 145 N 1.56 0.54 3.73 -1.23 0.00 0.31 -4.96 105.19 105.14 2bkx n GLY 145 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2bkx n GLY 145 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bkx s THR 146 N -2.23 4.05 0.40 2.61 2.01 -0.67 -4.99 115.64 116.82 2bkx s THR 146 Ca 0.00 1.67 -0.27 0.00 0.31 0.00 0.00 61.69 63.40 2bkx s THR 146 Cb 0.00 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 2bkx s THR 146 CO 0.00 0.24 1.41 -0.24 -0.69 0.00 0.00 174.62 175.35 2bkx n SER 147 N 2.81 3.35 0.09 3.53 2.88 -1.26 -4.79 113.62 120.23 2bkx n SER 147 Ca 0.04 1.18 0.09 0.00 -1.33 0.00 0.00 58.87 58.85 2bkx n SER 147 Cb 0.47 -1.58 0.42 0.00 -0.75 0.00 0.00 64.21 62.77 2bkx n SER 147 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2bkx n PHE 148 N 0.15 0.53 1.23 0.66 3.01 -1.26 -1.83 117.46 119.96 2bkx n PHE 148 Ca 0.04 0.23 0.12 0.00 1.01 0.00 0.00 57.45 58.84 2bkx n PHE 148 Cb 0.39 -0.87 0.39 0.00 -0.01 0.00 0.00 39.48 39.39 2bkx n PHE 148 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2bkx n LYS 149 N -2.00 1.83 -1.74 -1.08 5.02 -1.26 -2.87 118.16 116.06 2bkx n LYS 149 Ca 0.01 -1.23 -0.38 0.00 -2.02 0.00 0.00 58.31 54.70 2bkx n LYS 149 Cb 0.15 -1.45 0.05 0.00 -0.02 0.00 0.00 35.03 33.77 2bkx n LYS 149 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2bkx n SER 150 N 0.46 2.53 -3.47 4.39 3.41 -0.76 -4.57 113.62 115.61 2bkx n SER 150 Ca 0.17 0.93 -0.17 0.00 -0.26 0.00 0.00 58.87 59.55 2bkx n SER 150 Cb 0.39 -1.57 -0.03 0.00 -0.26 0.00 0.00 64.21 62.74 2bkx n SER 150 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bkx n ARG 151 N -1.30 1.26 -1.71 4.33 5.12 -1.26 -0.80 116.66 122.29 2bkx n ARG 151 Ca 0.12 -1.97 -0.43 0.00 -1.93 0.00 0.00 57.85 53.64 2bkx n ARG 151 Cb 0.46 0.44 -0.02 0.00 -1.16 0.00 0.00 32.46 32.18 2bkx n ARG 151 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2bkx n THR 152 N -0.83 0.70 -3.72 0.55 -1.04 -1.26 -3.08 114.28 105.60 2bkx n THR 152 Ca -0.09 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.05 61.66 2bkx n THR 152 Cb 0.35 -1.78 -0.03 0.00 -1.82 0.00 0.00 70.33 67.05 2bkx n THR 152 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2bkx s HIS 153 N 0.30 -0.23 -0.03 -1.42 -3.43 -0.17 -4.62 115.29 105.68 2bkx s HIS 153 Ca 0.69 -0.13 -0.22 0.00 -0.80 0.00 0.00 55.06 54.60 2bkx s HIS 153 Cb -0.56 0.57 -0.05 0.00 -1.43 0.00 0.00 32.58 31.11 2bkx s HIS 153 CO 0.45 -1.05 0.64 0.08 -2.00 0.00 0.00 174.74 172.86 2bkx s VAL 154 N -3.87 4.97 0.12 -5.38 1.01 -1.26 -1.34 120.40 114.65 2bkx s VAL 154 Ca 0.09 1.34 0.07 0.00 0.00 0.00 0.00 61.98 63.47 2bkx s VAL 154 Cb -0.03 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2bkx s VAL 154 CO -0.00 0.34 -0.17 0.68 0.00 0.00 0.00 175.10 175.95 2bkx s VAL 155 N 0.29 1.51 -0.29 2.92 -7.23 0.23 -4.99 120.40 112.83 2bkx s VAL 155 Ca 0.34 -1.68 -0.12 0.00 -1.81 0.00 0.00 61.98 58.71 2bkx s VAL 155 Cb -0.18 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2bkx s VAL 155 CO 0.17 -0.29 0.24 -0.89 -0.31 0.00 0.00 175.10 174.02 2bkx s THR 156 N -1.79 5.27 0.31 5.32 2.01 -1.26 -1.18 115.64 124.31 2bkx s THR 156 Ca 0.09 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 2bkx s THR 156 Cb -0.07 -3.61 -0.10 0.00 0.01 0.00 0.00 72.50 68.73 2bkx s THR 156 CO 0.04 0.17 1.36 -0.76 -0.69 0.00 0.00 174.62 174.74 2bkx s LEU 157 N 1.82 4.41 0.65 4.42 1.43 -0.20 -4.99 118.68 126.23 2bkx s LEU 157 Ca 0.08 2.69 -0.17 0.00 -1.03 0.00 0.00 54.13 55.71 2bkx s LEU 157 Cb -0.16 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 2bkx s LEU 157 CO 0.11 -0.60 1.17 0.20 0.23 0.00 0.00 176.35 177.45 2bkx s ASN 158 N -0.19 4.93 0.39 2.29 -0.87 -1.26 -4.88 114.94 115.35 2bkx s ASN 158 Ca 0.52 2.24 0.07 0.00 -1.57 0.00 0.00 52.86 54.12 2bkx s ASN 158 Cb -0.41 -2.58 0.82 0.00 -0.02 0.00 0.00 41.25 39.06 2bkx s ASN 158 CO 0.50 -1.76 2.01 -0.33 -2.57 0.00 0.00 177.10 174.95 2bkx h GLU 159 N 0.31 0.62 -0.31 -0.60 4.39 -1.99 -1.15 114.58 115.85 2bkx h GLU 159 Ca -0.48 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.17 2bkx h GLU 159 Cb 1.28 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 2bkx h GLU 159 CO 0.53 0.41 0.14 0.37 -1.16 0.00 0.00 179.01 179.30 2bkx h GLN 160 N 0.64 0.43 -0.13 2.33 4.15 -1.99 0.70 115.11 121.23 2bkx h GLN 160 Ca 0.23 -0.05 -0.18 0.00 0.77 0.00 0.00 58.65 59.42 2bkx h GLN 160 Cb 0.12 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 27.73 2bkx h GLN 160 CO -0.06 0.35 -0.64 1.15 -1.93 0.00 0.00 178.83 177.70 2bkx h THR 161 N 0.44 1.32 -0.63 2.39 2.02 -1.59 -1.05 112.91 115.80 2bkx h THR 161 Ca 0.11 -1.90 -0.06 0.00 0.77 0.00 0.00 66.41 65.33 2bkx h THR 161 Cb 0.07 2.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 2bkx h THR 161 CO -0.01 0.59 0.14 0.03 0.37 0.00 0.00 175.52 176.64 2bkx h ARG 162 N 0.33 1.01 -0.56 6.66 3.08 -1.00 -1.30 114.38 122.61 2bkx h ARG 162 Ca -0.04 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 59.78 2bkx h ARG 162 Cb 1.28 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.16 2bkx h ARG 162 CO 0.13 0.92 0.34 0.37 -1.07 0.00 0.00 179.97 180.67 2bkx h GLN 163 N 0.93 0.65 -0.18 0.04 4.15 -0.79 -1.21 115.11 118.71 2bkx h GLN 163 Ca 0.20 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.46 2bkx h GLN 163 Cb 0.37 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2bkx h GLN 163 CO 0.00 0.43 -0.39 0.00 -1.93 0.00 0.00 178.83 176.94 2bkx h ALA 164 N 1.24 0.99 -0.00 3.38 0.00 -0.90 -3.08 119.26 120.89 2bkx h ALA 164 Ca 0.22 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2bkx h ALA 164 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2bkx h ALA 164 CO -0.09 0.61 -0.49 0.09 0.00 0.00 0.00 179.25 179.37 2bkx n ASN 165 N -4.03 0.77 0.09 0.00 4.13 -0.52 -4.14 115.26 111.55 2bkx n ASN 165 Ca -0.01 -0.57 0.17 0.00 1.68 0.00 0.00 54.58 55.85 2bkx n ASN 165 Cb 0.49 0.31 0.71 0.00 -1.54 0.00 0.00 39.78 39.75 2bkx n ASN 165 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bkx h ALA 166 N 3.22 2.27 -0.12 5.41 0.00 -1.13 -1.61 119.26 127.31 2bkx h ALA 166 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2bkx h ALA 166 Cb 0.51 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2bkx h ALA 166 CO 0.00 -0.47 0.28 0.07 0.00 0.00 0.00 179.25 179.12 2bkx h ARG 167 N 0.00 0.00 -0.01 0.00 0.11 -1.79 -1.02 114.38 111.67 2bkx h ARG 167 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 2bkx h ARG 167 Cb 0.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.82 2bkx h ARG 167 CO -0.00 0.00 -0.40 0.66 0.10 0.00 0.00 179.97 180.33 2bkx n TYR 168 N -3.29 0.00 -4.22 4.08 4.02 -0.61 -4.96 117.16 112.18 2bkx n TYR 168 Ca 0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.67 2bkx n TYR 168 Cb 0.37 -0.12 -0.06 0.00 -0.02 0.00 0.00 39.34 39.51 2bkx n TYR 168 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2bkx s PHE 169 N -2.63 2.87 0.43 -0.72 0.40 -0.39 -4.96 117.98 112.97 2bkx s PHE 169 Ca 0.19 -0.17 0.11 0.00 -0.60 0.00 0.00 56.93 56.47 2bkx s PHE 169 Cb 0.18 -1.29 0.92 0.00 0.51 0.00 0.00 43.02 43.35 2bkx s PHE 169 CO 0.59 0.58 1.99 -1.35 0.70 0.00 0.00 175.22 177.72 2bkx h PRO 170 N 1.80 0.17 -3.24 0.24 0.11 -1.93 -3.46 132.00 125.70 2bkx h PRO 170 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2bkx h PRO 170 Cb 1.24 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 2bkx h PRO 170 CO 0.60 0.27 0.06 -1.54 -0.21 0.00 0.00 178.00 177.18 2bkx s SER 171 N -6.92 -0.32 0.38 -2.05 1.04 -1.26 -5.04 113.70 99.53 2bkx s SER 171 Ca -0.05 -0.35 0.09 0.00 0.48 0.00 0.00 55.95 56.11 2bkx s SER 171 Cb 0.16 0.57 0.74 0.00 0.10 0.00 0.00 66.02 67.59 2bkx s SER 171 CO 0.71 -1.01 1.89 -0.29 0.98 0.00 0.00 173.24 175.53 2bkx h ILE 172 N 2.18 1.19 0.00 -1.02 6.09 -1.89 -2.27 117.51 121.79 2bkx h ILE 172 Ca -0.30 -0.84 -0.00 0.00 -1.37 0.00 0.00 64.86 62.34 2bkx h ILE 172 Cb 1.27 1.23 -0.00 0.00 0.47 0.00 0.00 36.82 39.79 2bkx h ILE 172 CO 0.39 0.26 -0.01 -2.24 -3.07 0.00 0.00 178.15 173.48 2bkx h ASP 173 N 0.24 0.00 0.71 2.19 3.04 -2.00 -2.60 116.42 118.00 2bkx h ASP 173 Ca 0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 2bkx h ASP 173 Cb 0.41 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.70 2bkx h ASP 173 CO 0.02 0.01 -0.48 -1.54 -2.04 0.00 0.00 179.24 175.22 2bkx n SER 174 N -3.13 0.52 -4.69 4.15 3.41 -0.86 -4.88 113.62 108.15 2bkx n SER 174 Ca -0.01 -0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.16 2bkx n SER 174 Cb 0.19 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 2bkx n SER 174 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bkx s VAL 175 N -3.06 3.80 0.70 -3.33 1.01 -0.98 -4.96 120.40 113.57 2bkx s VAL 175 Ca 0.10 1.16 -0.16 0.00 0.00 0.00 0.00 61.98 63.07 2bkx s VAL 175 Cb 0.16 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.81 2bkx s VAL 175 CO 0.69 -0.01 1.26 -2.84 0.00 0.00 0.00 175.10 174.20 2bkx s PRO 176 N 2.45 2.24 0.17 2.72 0.02 -1.26 -4.95 135.00 136.40 2bkx s PRO 176 Ca 0.63 1.96 0.22 0.00 0.02 0.00 0.00 61.00 63.83 2bkx s PRO 176 Cb -0.30 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 2bkx s PRO 176 CO 0.26 -1.81 0.98 1.63 -0.33 0.00 0.00 177.00 177.73 2bkx n LYS 177 N -2.38 0.61 -4.27 5.54 5.02 -1.26 -4.90 118.16 116.52 2bkx n LYS 177 Ca 0.15 0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 56.41 2bkx n LYS 177 Cb 0.49 -1.81 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 2bkx n LYS 177 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2bkx s LYS 178 N -3.32 1.18 0.22 1.97 1.02 -1.26 -1.03 119.74 118.51 2bkx s LYS 178 Ca -0.01 -1.57 -0.14 0.00 0.02 0.00 0.00 55.97 54.27 2bkx s LYS 178 Cb 0.10 -0.45 0.00 0.00 -0.52 0.00 0.00 37.83 36.96 2bkx s LYS 178 CO 0.80 -0.08 0.46 0.00 -0.92 0.00 0.00 175.35 175.61 2bkx s ALA 179 N -3.51 -0.43 -0.15 5.17 0.00 -0.33 -1.18 121.76 121.32 2bkx s ALA 179 Ca 0.24 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 2bkx s ALA 179 Cb 0.05 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 24.10 2bkx s ALA 179 CO 0.05 -0.81 -0.05 -0.51 0.00 0.00 0.00 175.76 174.44 2bkx s LEU 180 N -2.96 3.17 -0.01 0.00 1.02 0.16 -0.60 118.68 119.45 2bkx s LEU 180 Ca 0.17 -0.16 -0.01 0.00 0.02 0.00 0.00 54.13 54.14 2bkx s LEU 180 Cb -0.00 -1.76 0.00 0.00 0.02 0.00 0.00 46.19 44.45 2bkx s LEU 180 CO 0.04 0.16 0.04 0.28 0.02 0.00 0.00 176.35 176.89 2bkx s THR 181 N 0.40 0.01 0.33 5.49 -1.32 -0.45 -1.44 115.64 118.66 2bkx s THR 181 Ca -0.05 -0.06 -0.27 0.00 -1.21 0.00 0.00 61.69 60.09 2bkx s THR 181 Cb -0.14 -0.08 -0.13 0.00 -1.51 0.00 0.00 72.50 70.64 2bkx s THR 181 CO 0.03 -0.04 1.12 0.23 -2.21 0.00 0.00 174.62 173.76 2bkx n MET 182 N 2.95 1.66 -1.98 7.08 2.81 0.29 -1.00 117.12 128.93 2bkx n MET 182 Ca -0.13 0.58 -0.28 0.00 -1.81 0.00 0.00 57.70 56.06 2bkx n MET 182 Cb 0.59 -2.06 0.10 0.00 -0.71 0.00 0.00 33.22 31.14 2bkx n MET 182 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2bkx s GLY 183 N -0.49 1.64 0.23 3.03 0.00 -1.18 -4.68 107.32 105.87 2bkx s GLY 183 Ca 0.58 -0.80 -0.08 0.00 0.00 0.00 0.00 44.72 44.41 2bkx s GLY 183 CO 0.60 -0.29 1.89 -2.22 0.00 0.00 0.00 173.10 173.09 2bkx h ILE 184 N -1.04 1.23 -0.25 0.90 2.04 -1.75 -1.30 117.51 117.34 2bkx h ILE 184 Ca -0.45 -0.44 -0.11 0.00 1.00 0.00 0.00 64.86 64.86 2bkx h ILE 184 Cb 1.31 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2bkx h ILE 184 CO 0.60 0.22 -0.32 -0.61 0.00 0.00 0.00 178.15 178.05 2bkx h GLN 185 N 1.17 0.53 -0.81 2.37 5.75 -0.82 -0.05 115.11 123.25 2bkx h GLN 185 Ca 0.31 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 2bkx h GLN 185 Cb -0.11 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.38 2bkx h GLN 185 CO -0.07 0.79 0.53 1.15 -2.65 0.00 0.00 178.83 178.58 2bkx h THR 186 N 0.46 1.16 -0.25 2.39 2.02 -1.48 -1.46 112.91 115.74 2bkx h THR 186 Ca 0.06 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 2bkx h THR 186 Cb 0.78 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2bkx h THR 186 CO 0.06 0.19 0.02 0.40 0.37 0.00 0.00 175.52 176.57 2bkx h ILE 187 N 1.05 1.24 0.00 3.11 2.04 -0.87 -3.13 117.51 120.95 2bkx h ILE 187 Ca 0.31 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2bkx h ILE 187 Cb -0.06 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2bkx h ILE 187 CO -0.09 0.26 -0.04 -0.07 0.00 0.00 0.00 178.15 178.22 2bkx h LEU 188 N 0.23 0.00 -0.30 1.44 3.38 -0.63 -1.81 115.31 117.62 2bkx h LEU 188 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2bkx h LEU 188 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2bkx h LEU 188 CO 0.01 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.03 2bkx n SER 189 N -3.18 0.35 -4.69 -0.43 3.41 -0.58 -4.83 113.62 103.67 2bkx n SER 189 Ca -0.00 0.58 -0.38 0.00 -0.26 0.00 0.00 58.87 58.80 2bkx n SER 189 Cb 0.26 -0.65 0.05 0.00 -0.26 0.00 0.00 64.21 63.61 2bkx n SER 189 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2bkx n SER 190 N -1.87 1.80 0.14 4.04 2.88 -0.68 -4.63 113.62 115.30 2bkx n SER 190 Ca 0.03 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 2bkx n SER 190 Cb 0.23 -1.50 0.29 0.00 -0.75 0.00 0.00 64.21 62.48 2bkx n SER 190 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2bkx h LYS 191 N 0.85 0.10 -2.58 -1.46 1.57 -1.35 -3.45 116.57 110.24 2bkx h LYS 191 Ca -0.50 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.14 2bkx h LYS 191 Cb 1.34 -0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.39 2bkx h LYS 191 CO 0.54 0.49 -0.23 0.50 -0.57 0.00 0.00 179.45 180.18 2bkx s ARG 192 N -4.12 0.46 -0.08 3.15 3.52 -1.21 -4.66 118.95 116.02 2bkx s ARG 192 Ca -0.03 0.78 0.02 0.00 -0.13 0.00 0.00 55.73 56.36 2bkx s ARG 192 Cb 0.14 0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.58 2bkx s ARG 192 CO 0.75 -0.13 -0.13 0.42 -0.81 0.00 0.00 175.30 175.40 2bkx s ILE 193 N 1.06 3.17 -0.28 4.11 1.01 0.28 -0.46 121.20 130.09 2bkx s ILE 193 Ca -0.07 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 59.94 2bkx s ILE 193 Cb -0.06 -2.29 0.08 0.00 0.01 0.00 0.00 42.46 40.20 2bkx s ILE 193 CO -0.09 0.56 0.00 -0.22 0.00 0.00 0.00 174.94 175.19 2bkx s LEU 194 N -0.32 3.22 -0.24 2.97 2.96 -0.23 -1.03 118.68 126.01 2bkx s LEU 194 Ca 0.03 -1.57 -0.10 0.00 -0.22 0.00 0.00 54.13 52.27 2bkx s LEU 194 Cb -0.13 -1.28 -0.05 0.00 0.50 0.00 0.00 46.19 45.23 2bkx s LEU 194 CO 0.02 -0.31 0.15 -0.22 -1.32 0.00 0.00 176.35 174.68 2bkx s LEU 195 N 1.27 4.07 -0.13 -0.68 2.96 0.17 -0.85 118.68 125.48 2bkx s LEU 195 Ca 0.02 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 2bkx s LEU 195 Cb -0.19 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 2bkx s LEU 195 CO -0.10 0.06 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.18 2bkx s LEU 196 N 1.08 3.23 -0.06 -0.68 1.43 -0.25 -0.85 118.68 122.57 2bkx s LEU 196 Ca 0.07 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 2bkx s LEU 196 Cb -0.14 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.37 2bkx s LEU 196 CO 0.05 0.23 0.11 -0.63 0.23 0.00 0.00 176.35 176.33 2bkx s ILE 197 N 0.02 -0.17 -0.01 -0.59 1.01 -0.28 -4.14 121.20 117.02 2bkx s ILE 197 Ca 0.00 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.03 2bkx s ILE 197 Cb -0.13 -0.22 0.01 0.00 0.01 0.00 0.00 42.46 42.13 2bkx s ILE 197 CO 0.03 0.16 -0.02 -0.55 0.00 0.00 0.00 174.94 174.55 2bkx s SER 198 N 2.11 0.39 0.00 3.58 0.15 -1.26 -1.98 113.70 116.68 2bkx s SER 198 Ca 0.03 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2bkx s SER 198 Cb -0.12 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2bkx s SER 198 CO -0.04 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2bkx n GLY 199 N 3.43 0.90 0.27 9.45 0.00 -1.26 -4.59 105.19 113.38 2bkx n GLY 199 Ca -0.18 -1.74 0.10 0.00 0.00 0.00 0.00 46.02 44.20 2bkx n GLY 199 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2bkx h LYS 200 N 0.00 0.00 0.00 1.61 2.10 -1.94 -1.91 116.57 116.42 2bkx h LYS 200 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2bkx h LYS 200 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2bkx h LYS 200 CO 0.00 0.02 0.00 0.66 -2.00 0.00 0.00 179.45 178.13 2bkx h SER 201 N 0.00 0.00 -0.13 7.07 4.64 -1.90 -2.05 113.55 121.18 2bkx h SER 201 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bkx h SER 201 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2bkx h SER 201 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2bkx n LYS 202 N -2.91 2.17 -0.01 4.77 4.76 -0.72 -4.65 118.16 121.57 2bkx n LYS 202 Ca -0.02 -1.94 0.00 0.00 -2.87 0.00 0.00 58.31 53.49 2bkx n LYS 202 Cb 0.11 -1.44 0.31 0.00 -1.84 0.00 0.00 35.03 32.17 2bkx n LYS 202 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bkx h ALA 203 N 4.28 1.41 -0.48 7.82 0.00 -1.46 -0.21 119.26 130.62 2bkx h ALA 203 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2bkx h ALA 203 Cb 0.93 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2bkx h ALA 203 CO 0.00 0.42 -0.21 0.93 0.00 0.00 0.00 179.25 180.39 2bkx h GLU 204 N 0.53 0.98 -0.64 0.00 5.08 -1.82 -1.93 114.58 116.78 2bkx h GLU 204 Ca 0.12 -0.42 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 2bkx h GLU 204 Cb 0.27 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2bkx h GLU 204 CO 0.00 1.10 0.09 0.00 -1.00 0.00 0.00 179.01 179.20 2bkx h ALA 205 N 0.86 0.94 -0.45 3.43 0.00 -1.62 -1.86 119.26 120.56 2bkx h ALA 205 Ca 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bkx h ALA 205 Cb 0.79 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2bkx h ALA 205 CO 0.07 0.66 0.27 0.28 0.00 0.00 0.00 179.25 180.53 2bkx h VAL 206 N 1.00 1.14 -0.37 0.00 2.07 -0.91 -0.00 116.25 119.18 2bkx h VAL 206 Ca 0.20 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.45 2bkx h VAL 206 Cb 0.45 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2bkx h VAL 206 CO 0.01 0.14 0.13 -0.09 0.02 0.00 0.00 177.57 177.79 2bkx h ARG 207 N 0.60 0.28 -0.51 1.57 2.43 -1.01 -0.74 114.38 117.00 2bkx h ARG 207 Ca 0.16 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2bkx h ARG 207 Cb -0.01 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2bkx h ARG 207 CO -0.03 0.18 -0.02 0.87 -1.51 0.00 0.00 179.97 179.47 2bkx h LYS 208 N 0.29 0.87 -0.14 0.20 1.57 -0.96 -0.75 116.57 117.65 2bkx h LYS 208 Ca 0.17 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2bkx h LYS 208 Cb 0.14 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2bkx h LYS 208 CO -0.17 0.88 0.06 1.25 -0.57 0.00 0.00 179.45 180.89 2bkx h LEU 209 N 0.80 0.19 -0.96 2.94 5.85 -0.53 -3.00 115.31 120.61 2bkx h LEU 209 Ca 0.15 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2bkx h LEU 209 Cb 0.50 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2bkx h LEU 209 CO 0.03 0.30 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.05 2bkx h LEU 210 N 0.07 0.00 -1.54 2.25 3.38 -0.95 -2.70 115.31 115.83 2bkx h LEU 210 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2bkx h LEU 210 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2bkx h LEU 210 CO -0.00 0.31 -0.19 -0.33 0.09 0.00 0.00 178.44 178.31 2bkx h GLU 211 N 0.00 0.00 0.00 1.13 5.08 -0.99 -3.47 114.58 116.32 2bkx h GLU 211 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bkx h GLU 211 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2bkx h GLU 211 CO 0.04 0.19 0.00 0.41 -1.00 0.00 0.00 179.01 178.65 2bkx n GLY 212 N -0.33 0.59 3.71 -3.84 0.00 -1.02 -5.01 105.19 99.29 2bkx n GLY 212 Ca -0.01 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2bkx n GLY 212 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bkx s ASN 213 N -2.24 6.89 -0.32 1.61 2.47 -1.26 -4.99 114.94 117.10 2bkx s ASN 213 Ca 0.00 2.20 -0.10 0.00 0.42 0.00 0.00 52.86 55.39 2bkx s ASN 213 Cb 0.00 -2.58 -0.00 0.00 -1.45 0.00 0.00 41.25 37.22 2bkx s ASN 213 CO 0.00 -0.63 0.15 -0.63 -3.72 0.00 0.00 177.10 172.28 2bkx s ILE 214 N 1.41 4.58 0.06 -5.21 1.01 -1.26 -4.81 121.20 116.98 2bkx s ILE 214 Ca 0.63 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 60.54 2bkx s ILE 214 Cb -0.34 -3.36 0.09 0.00 0.01 0.00 0.00 42.46 38.86 2bkx s ILE 214 CO 0.29 0.04 0.76 -0.94 0.00 0.00 0.00 174.94 175.09 2bkx s SER 215 N 1.60 -0.46 0.60 3.58 1.04 -1.26 -5.03 113.70 113.78 2bkx s SER 215 Ca 0.04 0.02 0.39 0.00 0.48 0.00 0.00 55.95 56.88 2bkx s SER 215 Cb -0.17 0.48 1.87 0.00 0.10 0.00 0.00 66.02 68.30 2bkx s SER 215 CO 0.06 -0.77 2.16 -0.33 0.98 0.00 0.00 173.24 175.35 2bkx h GLU 216 N 2.02 0.00 0.00 4.02 5.08 -1.96 -1.97 114.58 121.77 2bkx h GLU 216 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2bkx h GLU 216 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2bkx h GLU 216 CO 0.34 0.00 0.00 0.22 -1.00 0.00 0.00 179.01 178.57 2bkx h ASP 217 N 0.00 0.00 -2.91 1.42 3.58 -1.92 0.90 116.42 117.49 2bkx h ASP 217 Ca 0.00 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.85 2bkx h ASP 217 Cb 0.27 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 40.92 2bkx h ASP 217 CO 0.00 0.00 -0.81 0.12 -2.88 0.00 0.00 179.24 175.67 2bkx s PHE 218 N -3.74 1.49 0.37 0.28 5.36 -0.74 -4.61 117.98 116.38 2bkx s PHE 218 Ca -0.01 -2.21 0.13 0.00 -0.96 0.00 0.00 56.93 53.88 2bkx s PHE 218 Cb 0.10 -1.41 0.95 0.00 -0.34 0.00 0.00 43.02 42.32 2bkx s PHE 218 CO 0.42 -0.79 1.81 -1.35 -1.46 0.00 0.00 175.22 173.85 2bkx h PRO 219 N 6.47 0.53 0.00 10.12 0.11 -1.68 -0.00 132.00 147.55 2bkx h PRO 219 Ca 0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2bkx h PRO 219 Cb 0.92 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2bkx h PRO 219 CO 0.40 0.35 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 2bkx h ALA 220 N 1.62 1.00 0.00 -0.75 0.00 -1.42 -1.68 119.26 118.04 2bkx h ALA 220 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2bkx h ALA 220 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2bkx h ALA 220 CO -0.28 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.63 2bkx h SER 221 N 0.00 0.00 -0.41 0.00 4.64 -1.28 -0.93 113.55 115.57 2bkx h SER 221 Ca 0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 2bkx h SER 221 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 2bkx h SER 221 CO 0.00 0.00 0.34 0.00 -0.87 0.00 0.00 176.83 176.30 2bkx h ALA 222 N 2.02 2.26 0.00 5.18 0.00 -1.48 -1.99 119.26 125.25 2bkx h ALA 222 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bkx h ALA 222 Cb 0.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2bkx h ALA 222 CO 0.00 -0.56 0.00 -0.07 0.00 0.00 0.00 179.25 178.62 2bkx h LEU 223 N 0.00 0.00 -0.61 0.00 3.38 -1.39 -0.74 115.31 115.96 2bkx h LEU 223 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2bkx h LEU 223 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2bkx h LEU 223 CO -0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 2bkx n HIS 224 N -2.76 0.49 1.09 1.13 8.25 -0.75 -2.17 115.22 120.50 2bkx n HIS 224 Ca -0.00 0.22 0.12 0.00 -0.26 0.00 0.00 57.72 57.80 2bkx n HIS 224 Cb 0.20 -0.85 0.32 0.00 1.12 0.00 0.00 29.99 30.79 2bkx n HIS 224 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2bkx n LEU 225 N -1.97 2.29 -4.88 2.41 4.77 -0.28 -4.92 117.00 114.41 2bkx n LEU 225 Ca 0.01 -0.85 -0.32 0.00 -0.03 0.00 0.00 56.01 54.82 2bkx n LEU 225 Cb 0.14 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2bkx n LEU 225 CO 0.13 0.43 -0.18 -2.28 -1.33 0.00 0.00 177.39 174.16 2bkx s HIS 226 N -1.86 3.47 -0.99 -1.77 2.46 -0.92 -5.03 115.29 110.64 2bkx s HIS 226 Ca 0.34 0.26 0.26 0.00 0.47 0.00 0.00 55.06 56.39 2bkx s HIS 226 Cb 0.20 -1.77 0.68 0.00 -0.13 0.00 0.00 32.58 31.56 2bkx s HIS 226 CO 0.31 0.60 1.54 0.43 -2.47 0.00 0.00 174.74 175.14 2bkx n SER 227 N 0.62 0.39 -3.17 9.88 7.64 -1.26 -4.56 113.62 123.17 2bkx n SER 227 Ca -0.08 -0.06 -0.18 0.00 1.01 0.00 0.00 58.87 59.55 2bkx n SER 227 Cb 0.52 0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.73 2bkx n SER 227 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2bkx s ASP 228 N -3.03 0.37 -0.11 6.43 -1.08 -1.26 -4.96 116.67 113.03 2bkx s ASP 228 Ca 0.12 -2.48 0.03 0.00 -0.52 0.00 0.00 52.55 49.70 2bkx s ASP 228 Cb 0.18 0.47 -0.00 0.00 -1.46 0.00 0.00 42.92 42.11 2bkx s ASP 228 CO 0.66 -0.13 -0.23 -0.69 0.52 0.00 0.00 175.17 175.30 2bkx s VAL 229 N 0.45 2.17 -0.09 1.11 1.01 -1.26 -0.55 120.40 123.24 2bkx s VAL 229 Ca 0.31 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2bkx s VAL 229 Cb 0.01 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2bkx s VAL 229 CO -0.13 0.55 -0.20 -0.89 0.00 0.00 0.00 175.10 174.44 2bkx s THR 230 N 0.38 2.50 -0.19 3.92 2.01 -0.20 -0.81 115.64 123.25 2bkx s THR 230 Ca -0.17 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 60.96 2bkx s THR 230 Cb -0.18 -1.98 0.03 0.00 0.01 0.00 0.00 72.50 70.38 2bkx s THR 230 CO 0.08 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.69 2bkx s VAL 231 N 0.02 2.08 -0.24 3.82 1.01 0.65 -0.66 120.40 127.09 2bkx s VAL 231 Ca -0.07 -1.04 -0.10 0.00 0.00 0.00 0.00 61.98 60.77 2bkx s VAL 231 Cb -0.15 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2bkx s VAL 231 CO 0.05 0.46 0.14 -0.76 0.00 0.00 0.00 175.10 174.99 2bkx s LEU 232 N 1.26 3.98 -0.09 3.92 1.43 -0.03 -0.59 118.68 128.56 2bkx s LEU 232 Ca 0.03 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2bkx s LEU 232 Cb -0.14 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.04 2bkx s LEU 232 CO -0.12 0.05 -0.07 -0.63 0.23 0.00 0.00 176.35 175.81 2bkx s ILE 233 N 1.13 0.93 0.87 -0.59 1.01 -0.63 -1.13 121.20 122.79 2bkx s ILE 233 Ca 0.07 -0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 2bkx s ILE 233 Cb -0.14 -0.94 0.13 0.00 0.01 0.00 0.00 42.46 41.52 2bkx s ILE 233 CO 0.05 0.34 1.23 1.51 0.00 0.00 0.00 174.94 178.07 2bkx s ASP 234 N 1.41 3.97 0.19 3.58 1.47 -0.84 -0.63 116.67 125.82 2bkx s ASP 234 Ca -0.01 0.56 -0.12 0.00 1.18 0.00 0.00 52.55 54.15 2bkx s ASP 234 Cb -0.13 -0.88 0.11 0.00 -0.34 0.00 0.00 42.92 41.68 2bkx s ASP 234 CO -0.04 -2.22 1.86 -0.09 0.68 0.00 0.00 175.17 175.35 2bkx h ARG 235 N -1.27 0.83 -0.83 2.11 2.43 -1.68 -1.47 114.38 114.50 2bkx h ARG 235 Ca -0.45 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 2bkx h ARG 235 Cb 1.29 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 2bkx h ARG 235 CO 0.55 0.55 0.37 0.93 -1.51 0.00 0.00 179.97 180.86 2bkx h GLU 236 N 0.85 1.22 0.00 0.20 3.07 -1.90 -2.47 114.58 115.55 2bkx h GLU 236 Ca 0.23 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.36 58.86 2bkx h GLU 236 Cb -0.09 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.60 2bkx h GLU 236 CO -0.05 0.95 -0.17 0.00 -1.40 0.00 0.00 179.01 178.34 2bkx h ALA 237 N 1.20 1.00 -0.06 3.43 0.00 -1.45 -3.11 119.26 120.28 2bkx h ALA 237 Ca 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2bkx h ALA 237 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2bkx h ALA 237 CO -0.03 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.44 2bkx n ALA 238 N -2.19 2.57 0.48 0.00 0.00 -0.61 -4.00 120.51 116.77 2bkx n ALA 238 Ca 0.01 -0.43 0.09 0.00 0.00 0.00 0.00 53.44 53.11 2bkx n ALA 238 Cb 0.42 -1.18 0.39 0.00 0.00 0.00 0.00 19.45 19.07 2bkx n ALA 238 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bkx n SER 239 N 0.05 0.26 -0.19 0.00 3.41 -1.14 -2.36 113.62 113.63 2bkx n SER 239 Ca 0.18 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.44 2bkx n SER 239 Cb 0.30 -0.62 0.15 0.00 -0.26 0.00 0.00 64.21 63.79 2bkx n SER 239 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2bkx n LEU 240 N -1.78 2.35 -4.71 1.04 4.77 -1.26 -5.08 117.00 112.33 2bkx n LEU 240 Ca 0.03 -3.19 -0.35 0.00 -0.03 0.00 0.00 56.01 52.47 2bkx n LEU 240 Cb 0.20 -0.44 0.10 0.00 -2.33 0.00 0.00 43.42 40.96 2bkx n LEU 240 CO 0.17 0.83 0.82 0.00 -1.33 0.00 0.00 177.39 177.88 2bkx s ARG 241 N -2.86 2.05 0.00 3.23 1.70 -1.00 -4.56 118.95 117.52 2bkx s ARG 241 Ca 0.32 1.86 0.30 0.00 -0.47 0.00 0.00 55.73 57.74 2bkx s ARG 241 Cb 0.29 -1.81 1.80 0.00 -0.57 0.00 0.00 34.95 34.66 2bkx s ARG 241 CO 0.01 -1.93 2.13 -0.35 -1.08 0.00 0.00 175.30 174.08