#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bjw n GLY 10 N 0.00 2.62 0.00 -0.72 0.00 -1.26 -5.00 105.19 100.84 2bjw n GLY 10 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.90 2bjw n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bjw n GLU 11 N -1.06 0.28 -1.56 1.61 1.02 -1.26 -4.83 120.64 114.84 2bjw n GLU 11 Ca 0.00 -0.47 -0.36 0.00 -0.02 0.00 0.00 57.16 56.31 2bjw n GLU 11 Cb 0.00 -0.65 0.08 0.00 -0.02 0.00 0.00 31.44 30.84 2bjw n GLU 11 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bjw n ALA 12 N -0.07 0.55 -0.37 0.62 0.00 -1.26 -4.70 120.51 115.27 2bjw n ALA 12 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 2bjw n ALA 12 Cb 0.29 -2.23 0.13 0.00 0.00 0.00 0.00 19.45 17.64 2bjw n ALA 12 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2bjw h ASN 13 N 0.18 1.09 -0.40 0.00 2.35 -1.99 -0.28 115.58 116.54 2bjw h ASN 13 Ca -0.49 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.24 2bjw h ASN 13 Cb 1.34 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 2bjw h ASN 13 CO 0.50 0.75 0.24 0.77 -1.65 0.00 0.00 177.43 178.05 2bjw h SER 14 N 1.27 0.49 0.04 5.81 4.64 -1.96 -0.16 113.55 123.68 2bjw h SER 14 Ca 0.39 -0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 61.45 2bjw h SER 14 Cb -0.02 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 61.96 2bjw h SER 14 CO -0.12 0.39 -0.93 0.15 -0.87 0.00 0.00 176.83 175.45 2bjw h PHE 15 N 0.57 0.86 -0.92 4.77 3.57 -1.46 -3.02 116.94 121.32 2bjw h PHE 15 Ca 0.15 -0.50 0.07 0.00 3.53 0.00 0.00 57.97 61.23 2bjw h PHE 15 Cb -0.01 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 2bjw h PHE 15 CO 0.00 1.34 0.60 -0.07 -2.23 0.00 0.00 178.31 177.94 2bjw h LEU 16 N 0.15 0.90 -1.10 0.59 3.38 -0.70 -1.78 115.31 116.74 2bjw h LEU 16 Ca -0.13 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2bjw h LEU 16 Cb 1.62 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.16 2bjw h LEU 16 CO 0.18 0.56 0.44 -0.33 0.09 0.00 0.00 178.44 179.39 2bjw h GLU 17 N 1.02 1.06 -0.29 1.13 5.08 -1.04 -0.83 114.58 120.72 2bjw h GLU 17 Ca 0.41 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2bjw h GLU 17 Cb 0.26 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2bjw h GLU 17 CO -0.16 0.77 0.16 0.28 -1.00 0.00 0.00 179.01 179.06 2bjw h VAL 18 N 1.08 1.12 -0.92 3.13 2.07 -1.23 -0.67 116.25 120.82 2bjw h VAL 18 Ca 0.28 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2bjw h VAL 18 Cb -0.00 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 2bjw h VAL 18 CO -0.05 0.12 0.58 -0.07 0.02 0.00 0.00 177.57 178.17 2bjw h LEU 19 N 0.35 1.09 -0.27 2.57 3.38 -0.68 0.15 115.31 121.89 2bjw h LEU 19 Ca 0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2bjw h LEU 19 Cb 0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2bjw h LEU 19 CO -0.02 0.82 0.12 -0.08 0.09 0.00 0.00 178.44 179.36 2bjw h GLU 20 N 1.26 0.41 -0.30 1.13 4.81 -0.95 -1.35 114.58 119.58 2bjw h GLU 20 Ca 0.33 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 2bjw h GLU 20 Cb -0.09 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 2bjw h GLU 20 CO -0.07 0.42 0.06 0.37 -0.73 0.00 0.00 179.01 179.06 2bjw h GLN 21 N 0.30 0.16 -0.92 1.92 4.15 -0.70 -2.25 115.11 117.77 2bjw h GLN 21 Ca 0.09 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.59 2bjw h GLN 21 Cb 0.17 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.75 2bjw h GLN 21 CO -0.01 0.11 0.59 0.28 -1.93 0.00 0.00 178.83 177.87 2bjw h VAL 22 N 0.16 1.00 -0.26 2.39 2.07 -0.81 -1.09 116.25 119.71 2bjw h VAL 22 Ca 0.14 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 2bjw h VAL 22 Cb 0.16 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2bjw h VAL 22 CO -0.19 0.18 -0.05 0.77 0.02 0.00 0.00 177.57 178.30 2bjw h SER 23 N 0.96 0.38 0.76 0.57 4.64 -0.65 -1.10 113.55 119.12 2bjw h SER 23 Ca 0.42 -0.07 -0.25 0.00 -0.47 0.00 0.00 61.79 61.42 2bjw h SER 23 Cb 0.34 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2bjw h SER 23 CO -0.18 0.48 -1.24 0.45 -0.87 0.00 0.00 176.83 175.47 2bjw h HIS 24 N 0.39 0.16 0.08 4.77 3.86 -1.05 -3.36 115.15 119.99 2bjw h HIS 24 Ca 0.08 -0.12 -0.26 0.00 -1.16 0.00 0.00 60.37 58.92 2bjw h HIS 24 Cb 0.34 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2bjw h HIS 24 CO 0.01 1.11 -1.22 -0.07 0.86 0.00 0.00 177.93 178.62 2bjw h LEU 25 N 0.02 0.25 -0.56 2.43 3.38 -1.01 -3.38 115.31 116.45 2bjw h LEU 25 Ca -0.11 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 57.67 2bjw h LEU 25 Cb 1.88 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.47 2bjw h LEU 25 CO 0.14 1.23 0.09 0.00 0.09 0.00 0.00 178.44 179.98 2bjw h ALA 26 N 0.73 0.62 0.00 1.53 0.00 -1.35 -2.25 119.26 118.54 2bjw h ALA 26 Ca -0.11 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2bjw h ALA 26 Cb 1.91 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.90 2bjw h ALA 26 CO 0.17 -0.33 0.00 -1.35 0.00 0.00 0.00 179.25 177.74 2bjw h PRO 27 N 0.21 0.00 -7.28 0.00 0.11 -1.74 -3.39 132.00 119.91 2bjw h PRO 27 Ca 0.29 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.90 2bjw h PRO 27 Cb 0.43 0.00 0.07 0.00 0.11 0.00 0.00 31.00 31.61 2bjw h PRO 27 CO -0.40 0.00 0.38 -0.51 -0.21 0.00 0.00 178.00 177.26 2bjw s LEU 28 N -5.52 3.30 0.00 2.35 1.43 -0.85 -4.69 118.68 114.71 2bjw s LEU 28 Ca -0.01 1.65 0.14 0.00 -1.03 0.00 0.00 54.13 54.88 2bjw s LEU 28 Cb 0.10 -4.50 0.44 0.00 0.03 0.00 0.00 46.19 42.25 2bjw s LEU 28 CO 0.41 -1.20 1.34 0.47 0.23 0.00 0.00 176.35 177.60 2bjw n ASP 29 N -2.60 1.84 -4.86 2.29 9.92 -1.26 -4.96 116.55 116.92 2bjw n ASP 29 Ca 0.08 -1.92 -0.31 0.00 -0.53 0.00 0.00 54.79 52.10 2bjw n ASP 29 Cb 0.53 -0.20 -0.04 0.00 -0.64 0.00 0.00 41.12 40.77 2bjw n ASP 29 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2bjw s LYS 30 N -1.60 3.91 0.55 -1.24 -0.14 -1.26 -4.72 119.74 115.24 2bjw s LYS 30 Ca 0.26 0.66 -0.19 0.00 -1.36 0.00 0.00 55.97 55.34 2bjw s LYS 30 Cb 0.14 -2.34 -0.05 0.00 -1.68 0.00 0.00 37.83 33.89 2bjw s LYS 30 CO 0.19 -0.02 1.15 -1.25 -0.76 0.00 0.00 175.35 174.66 2bjw s PRO 31 N -3.59 3.27 -0.04 -1.68 0.04 -1.26 -4.74 135.00 127.01 2bjw s PRO 31 Ca 0.54 1.68 0.04 0.00 0.04 0.00 0.00 61.00 63.30 2bjw s PRO 31 Cb -0.10 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 2bjw s PRO 31 CO 0.26 -0.93 -0.15 0.08 0.04 0.00 0.00 177.00 176.30 2bjw s VAL 32 N -1.71 1.24 -0.21 -0.36 1.01 -0.81 -4.01 120.40 115.56 2bjw s VAL 32 Ca 0.74 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 2bjw s VAL 32 Cb -0.26 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 2bjw s VAL 32 CO 0.29 0.36 0.03 -0.22 0.00 0.00 0.00 175.10 175.56 2bjw s LEU 33 N 0.06 3.38 -0.22 3.92 2.96 -0.96 -0.83 118.68 126.98 2bjw s LEU 33 Ca -0.03 -0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 53.63 2bjw s LEU 33 Cb -0.10 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 2bjw s LEU 33 CO 0.02 0.05 0.09 -0.63 -1.32 0.00 0.00 176.35 174.56 2bjw s ILE 34 N 1.08 4.75 -0.22 6.68 1.01 0.80 -1.00 121.20 134.30 2bjw s ILE 34 Ca 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 2bjw s ILE 34 Cb -0.14 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 2bjw s ILE 34 CO 0.02 0.39 0.03 -0.63 0.00 0.00 0.00 174.94 174.75 2bjw s ILE 35 N 0.97 4.10 -0.15 2.92 -1.09 0.31 -1.50 121.20 126.76 2bjw s ILE 35 Ca 0.05 -0.25 -0.31 0.00 -2.23 0.00 0.00 60.65 57.90 2bjw s ILE 35 Cb -0.14 -2.88 0.13 0.00 -1.58 0.00 0.00 42.46 38.00 2bjw s ILE 35 CO 0.03 0.39 1.08 -0.83 -1.23 0.00 0.00 174.94 174.39 2bjw s GLY 36 N 1.25 -0.27 0.89 6.18 0.00 -0.41 -0.96 107.32 113.99 2bjw s GLY 36 Ca 0.04 1.78 -0.11 0.00 0.00 0.00 0.00 44.72 46.42 2bjw s GLY 36 CO 0.02 0.74 1.09 -0.54 0.00 0.00 0.00 173.10 174.41 2bjw s GLU 37 N -1.94 1.33 0.43 2.90 2.02 -1.26 -3.77 118.70 118.41 2bjw s GLU 37 Ca 0.04 0.82 -0.25 0.00 0.02 0.00 0.00 54.97 55.60 2bjw s GLU 37 Cb -0.01 -1.82 -0.10 0.00 0.10 0.00 0.00 34.13 32.31 2bjw s GLU 37 CO -0.04 -2.19 1.27 2.89 0.02 0.00 0.00 175.26 177.21 2bjw n ARG 38 N -3.85 1.91 -1.14 1.61 1.85 -1.26 -2.67 116.66 113.11 2bjw n ARG 38 Ca 0.07 0.68 -0.05 0.00 -1.00 0.00 0.00 57.85 57.55 2bjw n ARG 38 Cb 0.55 -2.39 -0.02 0.00 -1.05 0.00 0.00 32.46 29.55 2bjw n ARG 38 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2bjw n GLY 39 N 0.81 0.72 0.29 2.89 0.00 -1.26 -3.85 105.19 104.79 2bjw n GLY 39 Ca 0.07 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.83 2bjw n GLY 39 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bjw n THR 40 N -2.70 0.00 -0.53 2.61 -2.24 -1.09 -1.14 114.28 109.20 2bjw n THR 40 Ca -0.05 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2bjw n THR 40 Cb 0.24 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 2bjw n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bjw n GLY 41 N 1.35 1.55 0.22 3.38 0.00 -1.26 -4.82 105.19 105.60 2bjw n GLY 41 Ca 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 2bjw n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bjw h LYS 42 N 0.00 0.42 -0.07 1.61 1.57 -1.93 -1.36 116.57 116.81 2bjw h LYS 42 Ca 0.00 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 2bjw h LYS 42 Cb 0.26 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2bjw h LYS 42 CO 0.00 0.28 -0.35 1.49 -0.57 0.00 0.00 179.45 180.30 2bjw h GLU 43 N 0.43 0.14 -0.17 3.15 4.81 -1.98 -0.74 114.58 120.23 2bjw h GLU 43 Ca 0.26 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 2bjw h GLU 43 Cb 0.25 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2bjw h GLU 43 CO -0.23 0.48 -0.37 -0.07 -0.73 0.00 0.00 179.01 178.09 2bjw h LEU 44 N 0.13 0.37 -0.27 1.64 3.38 -1.81 -0.09 115.31 118.65 2bjw h LEU 44 Ca 0.01 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 2bjw h LEU 44 Cb 0.69 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2bjw h LEU 44 CO 0.05 0.72 -0.28 0.40 0.09 0.00 0.00 178.44 179.42 2bjw h ILE 45 N 0.30 1.31 -0.35 1.22 1.08 -0.89 -1.50 117.51 118.68 2bjw h ILE 45 Ca 0.03 -1.45 0.04 0.00 -0.39 0.00 0.00 64.86 63.10 2bjw h ILE 45 Cb 0.80 1.61 -0.04 0.00 -3.07 0.00 0.00 36.82 36.12 2bjw h ILE 45 CO 0.06 0.46 0.10 0.00 -0.69 0.00 0.00 178.15 178.09 2bjw h ALA 46 N 0.69 0.39 -0.66 1.87 0.00 -0.90 -0.80 119.26 119.86 2bjw h ALA 46 Ca 0.04 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2bjw h ALA 46 Cb 0.84 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 2bjw h ALA 46 CO 0.07 -0.29 0.33 1.03 0.00 0.00 0.00 179.25 180.38 2bjw h SER 47 N 0.24 0.43 -0.73 0.00 0.87 -0.88 -2.19 113.55 111.29 2bjw h SER 47 Ca 0.16 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2bjw h SER 47 Cb 0.15 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 2bjw h SER 47 CO -0.18 0.26 0.44 -0.09 -0.53 0.00 0.00 176.83 176.73 2bjw h ARG 48 N 0.58 0.99 -0.35 2.24 2.43 -0.77 0.41 114.38 119.91 2bjw h ARG 48 Ca 0.32 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 2bjw h ARG 48 Cb 0.31 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2bjw h ARG 48 CO -0.25 0.70 0.12 -0.07 -1.51 0.00 0.00 179.97 178.97 2bjw h LEU 49 N 1.00 0.13 0.12 3.80 3.38 -0.76 -0.76 115.31 122.22 2bjw h LEU 49 Ca 0.26 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2bjw h LEU 49 Cb -0.04 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2bjw h LEU 49 CO -0.05 0.11 -0.06 -0.74 0.09 0.00 0.00 178.44 177.79 2bjw h HIS 50 N 0.27 -0.14 0.00 1.13 2.76 -0.74 -2.51 115.15 115.91 2bjw h HIS 50 Ca 0.16 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2bjw h HIS 50 Cb 0.13 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 2bjw h HIS 50 CO -0.14 -0.06 -0.03 1.88 -1.30 0.00 0.00 177.93 178.28 2bjw h TYR 51 N -0.19 0.00 -0.07 5.26 -1.99 -0.81 -1.73 116.97 117.44 2bjw h TYR 51 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2bjw h TYR 51 Cb 0.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.88 2bjw h TYR 51 CO -0.06 0.03 0.00 1.28 -0.00 0.00 0.00 178.16 179.41 2bjw n LEU 52 N -3.12 1.68 -5.00 3.88 4.77 -0.30 -4.74 117.00 114.17 2bjw n LEU 52 Ca 0.01 -0.61 -0.21 0.00 -0.03 0.00 0.00 56.01 55.18 2bjw n LEU 52 Cb 0.37 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.49 2bjw n LEU 52 CO 0.29 0.30 0.39 -0.94 -1.33 0.00 0.00 177.39 176.10 2bjw s SER 53 N -1.87 4.99 0.16 -1.43 1.04 -0.65 -4.24 113.70 111.70 2bjw s SER 53 Ca 0.36 -0.40 0.20 0.00 0.48 0.00 0.00 55.95 56.59 2bjw s SER 53 Cb 0.20 -0.27 0.84 0.00 0.10 0.00 0.00 66.02 66.89 2bjw s SER 53 CO 0.31 -1.36 1.62 -1.54 0.98 0.00 0.00 173.24 173.24 2bjw n SER 54 N -2.40 0.41 -0.67 7.02 3.41 -1.26 -2.83 113.62 117.29 2bjw n SER 54 Ca 0.12 0.60 0.08 0.00 -0.26 0.00 0.00 58.87 59.41 2bjw n SER 54 Cb 0.60 -0.69 0.26 0.00 -0.26 0.00 0.00 64.21 64.12 2bjw n SER 54 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bjw n ARG 55 N -1.95 1.86 0.10 4.33 1.74 -1.26 -4.61 116.66 116.87 2bjw n ARG 55 Ca 0.03 -1.32 0.19 0.00 -0.77 0.00 0.00 57.85 55.98 2bjw n ARG 55 Cb 0.21 -1.35 0.76 0.00 -1.02 0.00 0.00 32.46 31.05 2bjw n ARG 55 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2bjw h TRP 56 N 2.36 0.00 0.00 -1.55 5.08 -1.57 0.57 115.95 120.84 2bjw h TRP 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2bjw h TRP 56 Cb 0.53 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.69 2bjw h TRP 56 CO 0.20 0.00 -0.42 1.04 -1.28 0.00 0.00 178.44 177.98 2bjw n GLN 57 N -3.91 0.28 -1.10 0.12 6.02 -1.26 -4.84 117.38 112.70 2bjw n GLN 57 Ca 0.06 0.13 -0.30 0.00 -0.01 0.00 0.00 57.00 56.88 2bjw n GLN 57 Cb 0.53 -1.73 0.23 0.00 1.02 0.00 0.00 30.24 30.30 2bjw n GLN 57 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2bjw s GLY 58 N -3.63 1.58 0.39 1.08 0.00 0.20 -5.03 107.32 101.90 2bjw s GLY 58 Ca 0.08 -0.90 -0.24 0.00 0.00 0.00 0.00 44.72 43.66 2bjw s GLY 58 CO 0.68 -0.04 1.04 2.56 0.00 0.00 0.00 173.10 177.34 2bjw s PRO 59 N -5.37 4.23 -0.28 2.90 0.04 -1.26 -4.85 135.00 130.42 2bjw s PRO 59 Ca 0.70 1.51 -0.06 0.00 0.04 0.00 0.00 61.00 63.19 2bjw s PRO 59 Cb -0.11 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2bjw s PRO 59 CO 0.56 -0.08 0.06 0.12 0.04 0.00 0.00 177.00 177.70 2bjw s PHE 60 N -1.63 3.11 0.02 0.56 5.36 -1.26 -0.91 117.98 123.23 2bjw s PHE 60 Ca 0.56 -0.90 0.09 0.00 -0.96 0.00 0.00 56.93 55.72 2bjw s PHE 60 Cb -0.22 -2.23 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 2bjw s PHE 60 CO 0.28 -0.54 -0.26 0.42 -1.46 0.00 0.00 175.22 173.66 2bjw s ILE 61 N 1.51 2.17 0.06 3.12 -1.09 -0.46 -5.01 121.20 121.49 2bjw s ILE 61 Ca 0.03 -1.28 0.04 0.00 -2.23 0.00 0.00 60.65 57.22 2bjw s ILE 61 Cb -0.16 -1.82 -0.03 0.00 -1.58 0.00 0.00 42.46 38.87 2bjw s ILE 61 CO 0.02 0.44 -0.12 -0.55 -1.23 0.00 0.00 174.94 173.49 2bjw s SER 62 N -1.04 1.45 -0.16 3.58 0.15 -1.26 -0.20 113.70 116.22 2bjw s SER 62 Ca 0.11 -0.57 -0.10 0.00 0.70 0.00 0.00 55.95 56.09 2bjw s SER 62 Cb -0.10 -0.04 0.05 0.00 -1.71 0.00 0.00 66.02 64.23 2bjw s SER 62 CO 0.01 -0.09 0.41 -0.22 1.20 0.00 0.00 173.24 174.55 2bjw s LEU 63 N -1.60 0.07 -0.39 3.45 2.96 -0.24 -4.95 118.68 117.99 2bjw s LEU 63 Ca -0.03 0.86 -0.17 0.00 -0.22 0.00 0.00 54.13 54.57 2bjw s LEU 63 Cb -0.10 1.35 0.01 0.00 0.50 0.00 0.00 46.19 47.95 2bjw s LEU 63 CO 0.02 -0.18 0.44 0.21 -1.32 0.00 0.00 176.35 175.52 2bjw s ASN 64 N 1.07 6.22 0.44 3.68 3.84 -1.26 -0.75 114.94 128.17 2bjw s ASN 64 Ca -0.07 -0.43 0.17 0.00 0.21 0.00 0.00 52.86 52.74 2bjw s ASN 64 Cb -0.07 -2.23 1.01 0.00 -0.55 0.00 0.00 41.25 39.41 2bjw s ASN 64 CO -0.09 -0.51 1.95 0.00 -2.79 0.00 0.00 177.10 175.66 2bjw h ALA 66 N 1.77 1.00 0.00 0.00 0.00 -1.76 -3.28 119.26 116.98 2bjw h ALA 66 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bjw h ALA 66 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2bjw h ALA 66 CO 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.28 2bjw h ALA 67 N 2.14 1.00 -4.47 0.00 0.00 -1.85 -3.45 119.26 112.61 2bjw h ALA 67 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 2bjw h ALA 67 Cb 0.54 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.05 2bjw h ALA 67 CO 0.00 0.00 -0.88 -0.51 0.00 0.00 0.00 179.25 177.86 2bjw s LEU 68 N -5.60 2.10 1.11 0.00 1.43 -1.24 -5.10 118.68 111.37 2bjw s LEU 68 Ca 0.08 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 2bjw s LEU 68 Cb 0.08 -1.29 0.25 0.00 0.03 0.00 0.00 46.19 45.25 2bjw s LEU 68 CO 0.64 0.29 1.05 0.54 0.23 0.00 0.00 176.35 179.11 2bjw s ASN 69 N -0.85 1.57 0.16 2.29 2.20 -1.26 -4.60 114.94 114.46 2bjw s ASN 69 Ca 0.10 1.34 -0.15 0.00 -0.94 0.00 0.00 52.86 53.21 2bjw s ASN 69 Cb -0.10 -2.08 0.08 0.00 -2.00 0.00 0.00 41.25 37.15 2bjw s ASN 69 CO 0.00 -3.81 1.77 -0.08 -2.94 0.00 0.00 177.10 172.05 2bjw h GLU 70 N -2.35 0.38 -0.36 3.55 4.81 -1.98 0.20 114.58 118.83 2bjw h GLU 70 Ca -0.59 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 58.46 2bjw h GLU 70 Cb 1.34 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2bjw h GLU 70 CO 0.54 0.25 -0.39 -0.91 -0.73 0.00 0.00 179.01 177.77 2bjw h ASN 71 N 0.39 0.94 -0.15 1.04 2.35 -2.00 -1.93 115.58 116.23 2bjw h ASN 71 Ca 0.18 -0.43 -0.15 0.00 -0.55 0.00 0.00 56.30 55.35 2bjw h ASN 71 Cb 0.11 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2bjw h ASN 71 CO -0.14 1.22 -0.42 -0.07 -1.65 0.00 0.00 177.43 176.37 2bjw h LEU 72 N 0.72 0.74 -0.40 1.61 4.07 -1.84 -2.42 115.31 117.79 2bjw h LEU 72 Ca 0.06 -0.34 -0.04 0.00 0.08 0.00 0.00 57.88 57.64 2bjw h LEU 72 Cb 0.98 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.49 2bjw h LEU 72 CO 0.09 1.06 0.11 0.25 -1.08 0.00 0.00 178.44 178.87 2bjw h LEU 73 N 0.56 0.60 -0.68 1.67 5.85 -0.51 -0.66 115.31 122.15 2bjw h LEU 73 Ca 0.04 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.58 2bjw h LEU 73 Cb 0.95 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 2bjw h LEU 73 CO 0.09 0.66 0.40 -0.78 -0.34 0.00 0.00 178.44 178.47 2bjw h ASP 74 N 0.51 0.64 -0.38 1.25 1.82 -1.30 -1.46 116.42 117.50 2bjw h ASP 74 Ca 0.13 0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.67 2bjw h ASP 74 Cb 0.29 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.16 2bjw h ASP 74 CO -0.00 0.43 -0.17 0.28 -1.61 0.00 0.00 179.24 178.17 2bjw h SER 75 N 0.77 0.86 0.45 2.28 0.02 -1.30 -0.71 113.55 115.92 2bjw h SER 75 Ca 0.28 -0.30 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 2bjw h SER 75 Cb 0.09 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2bjw h SER 75 CO -0.14 1.02 -0.71 -0.08 -1.14 0.00 0.00 176.83 175.79 2bjw h GLU 76 N 0.75 0.22 0.06 3.45 4.57 -0.76 0.29 114.58 123.17 2bjw h GLU 76 Ca 0.11 -0.19 -0.16 0.00 -1.18 0.00 0.00 59.36 57.94 2bjw h GLU 76 Cb 0.70 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2bjw h GLU 76 CO 0.05 0.84 -0.81 -0.07 -1.18 0.00 0.00 179.01 177.84 2bjw h LEU 77 N 0.15 0.20 -0.62 1.64 3.38 -1.28 0.15 115.31 118.94 2bjw h LEU 77 Ca -0.02 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.10 2bjw h LEU 77 Cb 1.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2bjw h LEU 77 CO 0.11 1.35 -0.49 0.49 0.09 0.00 0.00 178.44 179.99 2bjw n PHE 78 N -4.29 0.00 0.00 1.13 3.01 -0.28 -2.76 117.46 114.28 2bjw n PHE 78 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.26 2bjw n PHE 78 Cb 0.71 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.18 2bjw n PHE 78 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bjw n GLY 79 N 1.26 -1.37 3.40 1.37 0.00 0.10 -4.55 105.19 105.40 2bjw n GLY 79 Ca 0.06 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 2bjw n GLY 79 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2bjw s HIS 80 N -1.58 -0.44 0.04 1.61 -3.43 -0.85 -4.55 115.29 106.10 2bjw s HIS 80 Ca 0.00 0.48 -0.06 0.00 -0.80 0.00 0.00 55.06 54.68 2bjw s HIS 80 Cb 0.00 0.36 -0.01 0.00 -1.43 0.00 0.00 32.58 31.50 2bjw s HIS 80 CO 0.00 -0.66 0.10 -1.83 -2.00 0.00 0.00 174.74 170.36 2bjw s GLU 81 N -2.50 0.62 0.49 -0.38 -1.05 -1.26 -1.73 118.70 112.88 2bjw s GLU 81 Ca -0.05 -0.79 0.25 0.00 -0.15 0.00 0.00 54.97 54.23 2bjw s GLU 81 Cb -0.01 0.24 0.86 0.00 -0.44 0.00 0.00 34.13 34.79 2bjw s GLU 81 CO -0.02 -0.16 1.09 1.17 0.95 0.00 0.00 175.26 178.29 2bjw n LYS 90 N 0.64 0.01 -3.64 -4.83 4.81 -1.26 -5.01 118.16 108.88 2bjw n LYS 90 Ca -0.18 0.84 -0.15 0.00 -0.87 0.00 0.00 58.31 57.95 2bjw n LYS 90 Cb 0.59 -2.06 -0.08 0.00 0.02 0.00 0.00 35.03 33.50 2bjw n LYS 90 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2bjw s ARG 91 N -4.09 0.82 -0.55 1.64 3.52 -1.26 -5.10 118.95 113.93 2bjw s ARG 91 Ca -0.02 0.28 -0.10 0.00 -0.13 0.00 0.00 55.73 55.75 2bjw s ARG 91 Cb 0.13 0.39 0.14 0.00 -1.56 0.00 0.00 34.95 34.05 2bjw s ARG 91 CO 0.44 -0.21 0.44 -1.58 -0.81 0.00 0.00 175.30 173.58 2bjw s HIS 92 N -0.80 3.46 0.44 5.12 5.65 -0.71 -5.05 115.29 123.40 2bjw s HIS 92 Ca -0.09 -1.95 -0.25 0.00 0.25 0.00 0.00 55.06 53.02 2bjw s HIS 92 Cb -0.03 -3.54 -0.08 0.00 -1.18 0.00 0.00 32.58 27.75 2bjw s HIS 92 CO 0.06 -0.98 1.41 -2.14 -0.65 0.00 0.00 174.74 172.44 2bjw s PRO 93 N 1.01 3.75 0.75 2.88 0.02 -1.26 -2.00 135.00 140.14 2bjw s PRO 93 Ca 0.09 2.38 -0.02 0.00 0.02 0.00 0.00 61.00 63.47 2bjw s PRO 93 Cb -0.23 -2.69 0.15 0.00 0.02 0.00 0.00 34.50 31.75 2bjw s PRO 93 CO -0.02 -0.75 1.03 0.41 -0.33 0.00 0.00 177.00 177.34 2bjw n GLY 94 N 0.59 0.45 0.16 0.52 0.00 -1.26 -4.78 105.19 100.87 2bjw n GLY 94 Ca 0.05 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2bjw n GLY 94 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bjw h ARG 95 N 0.00 0.00 -0.54 1.61 2.47 -0.50 -1.85 114.38 115.56 2bjw h ARG 95 Ca -0.34 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.35 2bjw h ARG 95 Cb 1.22 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.51 2bjw h ARG 95 CO 0.35 0.53 0.23 0.74 0.56 0.00 0.00 179.97 182.38 2bjw h PHE 96 N 0.00 0.81 -0.35 3.04 -1.00 -1.79 -1.33 116.94 116.32 2bjw h PHE 96 Ca -0.01 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 2bjw h PHE 96 Cb 0.95 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.25 2bjw h PHE 96 CO 0.00 0.65 0.15 0.93 -1.61 0.00 0.00 178.31 178.43 2bjw h GLU 97 N 0.74 0.52 0.00 1.51 5.08 -1.76 -2.79 114.58 117.88 2bjw h GLU 97 Ca 0.18 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2bjw h GLU 97 Cb 0.17 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2bjw h GLU 97 CO -0.02 0.50 -0.04 0.00 -1.00 0.00 0.00 179.01 178.45 2bjw h ARG 98 N 0.42 0.00 -0.36 2.33 3.08 -1.24 -2.55 114.38 116.07 2bjw h ARG 98 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2bjw h ARG 98 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2bjw h ARG 98 CO -0.01 0.04 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 2bjw n ALA 99 N -2.33 2.45 -1.73 0.04 0.00 -0.51 -4.82 120.51 113.61 2bjw n ALA 99 Ca -0.03 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 2bjw n ALA 99 Cb 0.13 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 2bjw n ALA 99 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bjw n ASP 100 N 0.97 3.67 0.00 0.00 2.03 -0.96 -0.18 116.55 122.07 2bjw n ASP 100 Ca 0.18 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.62 2bjw n ASP 100 Cb 0.47 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 2bjw n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bjw n GLY 101 N 2.43 0.63 0.00 0.27 0.00 0.21 -4.61 105.19 104.12 2bjw n GLY 101 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2bjw n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjw n GLY 102 N -2.03 5.52 3.20 -0.02 0.00 0.74 -4.27 105.19 108.34 2bjw n GLY 102 Ca 0.00 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 2bjw n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bjw s THR 103 N 1.66 1.51 -0.14 2.61 2.01 -0.09 -1.77 115.64 121.43 2bjw s THR 103 Ca 0.00 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.08 2bjw s THR 103 Cb 0.00 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 2bjw s THR 103 CO 0.00 0.34 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.90 2bjw s LEU 104 N -0.68 2.52 -0.25 4.42 2.96 -0.26 -1.36 118.68 126.04 2bjw s LEU 104 Ca 0.07 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 2bjw s LEU 104 Cb -0.08 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 2bjw s LEU 104 CO 0.00 0.12 0.05 0.12 -1.32 0.00 0.00 176.35 175.32 2bjw s PHE 105 N 0.62 3.07 -0.35 5.38 5.36 0.72 -0.99 117.98 131.78 2bjw s PHE 105 Ca -0.08 -0.62 -0.07 0.00 -0.96 0.00 0.00 56.93 55.20 2bjw s PHE 105 Cb -0.16 -2.21 0.04 0.00 -0.34 0.00 0.00 43.02 40.35 2bjw s PHE 105 CO 0.03 -0.44 0.13 -0.51 -1.46 0.00 0.00 175.22 172.97 2bjw s LEU 106 N 1.57 4.46 0.37 6.12 1.43 0.14 -1.08 118.68 131.69 2bjw s LEU 106 Ca 0.06 -1.19 -0.04 0.00 -1.03 0.00 0.00 54.13 51.93 2bjw s LEU 106 Cb -0.15 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 2bjw s LEU 106 CO 0.02 -0.36 0.63 -0.62 0.23 0.00 0.00 176.35 176.25 2bjw s ASP 107 N 1.50 6.35 -1.36 2.29 2.15 0.07 -1.34 116.67 126.33 2bjw s ASP 107 Ca -0.01 0.72 -0.02 0.00 0.43 0.00 0.00 52.55 53.67 2bjw s ASP 107 Cb -0.20 -2.15 0.02 0.00 -0.30 0.00 0.00 42.92 40.29 2bjw s ASP 107 CO 0.03 -0.35 0.70 -0.62 -0.17 0.00 0.00 175.17 174.76 2bjw n GLU 108 N -1.60 -4.72 -0.20 4.34 1.02 -0.75 -1.31 120.64 117.43 2bjw n GLU 108 Ca -0.02 0.58 0.06 0.00 -0.02 0.00 0.00 57.16 57.76 2bjw n GLU 108 Cb 0.55 -5.12 0.33 0.00 -0.02 0.00 0.00 31.44 27.18 2bjw n GLU 108 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2bjw h LEU 109 N -1.89 0.71 -2.40 -4.62 5.85 -1.56 -2.21 115.31 109.19 2bjw h LEU 109 Ca -0.61 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.14 2bjw h LEU 109 Cb 1.36 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 2bjw h LEU 109 CO 0.59 0.46 0.16 0.00 -0.34 0.00 0.00 178.44 179.32 2bjw h ALA 110 N 1.59 1.49 -0.00 1.25 0.00 -1.90 -0.64 119.26 121.05 2bjw h ALA 110 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2bjw h ALA 110 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2bjw h ALA 110 CO -0.11 -0.21 -0.06 0.25 0.00 0.00 0.00 179.25 179.13 2bjw n THR 111 N -3.44 0.00 -2.23 0.00 -2.24 -0.83 -4.86 114.28 100.67 2bjw n THR 111 Ca -0.01 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 2bjw n THR 111 Cb 0.25 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 2bjw n THR 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bjw s ALA 112 N -2.27 3.53 0.89 6.98 0.00 -0.25 -4.85 121.76 125.79 2bjw s ALA 112 Ca 0.35 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 2bjw s ALA 112 Cb 0.21 -3.49 0.12 0.00 0.00 0.00 0.00 23.12 19.96 2bjw s ALA 112 CO 0.42 -0.54 1.10 -2.14 0.00 0.00 0.00 175.76 174.60 2bjw s PRO 113 N 0.52 1.32 0.40 0.00 0.02 -1.26 -4.77 135.00 131.23 2bjw s PRO 113 Ca 0.60 1.06 0.10 0.00 0.02 0.00 0.00 61.00 62.78 2bjw s PRO 113 Cb -0.35 -1.80 0.84 0.00 0.02 0.00 0.00 34.50 33.21 2bjw s PRO 113 CO 0.34 -2.27 1.95 0.52 -0.33 0.00 0.00 177.00 177.21 2bjw h MET 114 N -1.58 0.23 -0.38 5.54 2.86 -1.94 -0.90 114.93 118.76 2bjw h MET 114 Ca -0.48 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.11 2bjw h MET 114 Cb 1.27 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 2bjw h MET 114 CO 0.51 0.33 0.19 1.98 1.06 0.00 0.00 176.91 180.98 2bjw h MET 115 N 0.22 0.55 -0.80 1.72 1.85 -2.00 -1.94 114.93 114.54 2bjw h MET 115 Ca 0.05 -0.08 -0.04 0.00 -0.61 0.00 0.00 59.70 59.02 2bjw h MET 115 Cb 0.30 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.19 2bjw h MET 115 CO 0.02 0.48 0.34 0.28 -0.40 0.00 0.00 176.91 177.62 2bjw h VAL 116 N 0.48 1.26 -0.62 -5.77 2.07 -1.56 -2.12 116.25 110.00 2bjw h VAL 116 Ca 0.13 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2bjw h VAL 116 Cb 0.10 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 2bjw h VAL 116 CO -0.02 0.32 0.36 1.56 0.02 0.00 0.00 177.57 179.81 2bjw h GLN 117 N 1.15 0.85 -0.40 1.57 4.20 -0.92 0.11 115.11 121.66 2bjw h GLN 117 Ca 0.27 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.77 2bjw h GLN 117 Cb 0.18 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2bjw h GLN 117 CO -0.03 0.63 -0.23 1.49 -0.67 0.00 0.00 178.83 180.02 2bjw h GLU 118 N 0.84 0.87 -0.26 1.46 4.22 -1.18 -1.68 114.58 118.84 2bjw h GLU 118 Ca 0.22 -0.40 -0.04 0.00 0.08 0.00 0.00 59.36 59.22 2bjw h GLU 118 Cb 0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2bjw h GLU 118 CO -0.04 1.04 -0.03 0.87 -2.18 0.00 0.00 179.01 178.67 2bjw h LYS 119 N 0.68 0.40 -0.36 1.92 1.57 -1.10 -2.44 116.57 117.25 2bjw h LYS 119 Ca 0.08 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 2bjw h LYS 119 Cb 0.80 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 2bjw h LYS 119 CO 0.07 0.46 -0.43 1.25 -0.57 0.00 0.00 179.45 180.23 2bjw h LEU 120 N 0.39 0.99 -1.09 2.94 5.85 -0.52 -2.42 115.31 121.44 2bjw h LEU 120 Ca 0.08 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 2bjw h LEU 120 Cb 0.31 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2bjw h LEU 120 CO 0.01 1.27 0.37 0.25 -0.34 0.00 0.00 178.44 180.00 2bjw h LEU 121 N 0.73 0.90 -0.49 2.25 5.85 -0.86 -1.40 115.31 122.30 2bjw h LEU 121 Ca 0.05 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2bjw h LEU 121 Cb 1.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2bjw h LEU 121 CO 0.10 0.74 0.14 0.03 -0.34 0.00 0.00 178.44 179.11 2bjw h ARG 122 N 1.01 0.77 -0.81 1.25 -0.00 -1.25 0.76 114.38 116.11 2bjw h ARG 122 Ca 0.25 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.98 59.55 2bjw h ARG 122 Cb 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 29.97 29.89 2bjw h ARG 122 CO -0.04 0.73 0.47 0.28 0.00 0.00 0.00 179.97 181.41 2bjw h VAL 123 N 0.66 1.23 -0.34 2.04 2.07 -0.89 0.54 116.25 121.56 2bjw h VAL 123 Ca 0.16 -0.53 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 2bjw h VAL 123 Cb 0.30 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2bjw h VAL 123 CO -0.00 0.25 -0.25 0.40 0.02 0.00 0.00 177.57 177.98 2bjw h ILE 124 N 1.12 1.29 0.23 4.57 2.04 -0.49 0.79 117.51 127.05 2bjw h ILE 124 Ca 0.29 -1.40 -0.34 0.00 1.00 0.00 0.00 64.86 64.41 2bjw h ILE 124 Cb -0.02 1.43 0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2bjw h ILE 124 CO -0.05 0.46 -1.55 -0.33 0.00 0.00 0.00 178.15 176.68 2bjw h GLU 125 N 0.55 0.49 0.00 2.37 5.08 -0.46 -3.37 114.58 119.24 2bjw h GLU 125 Ca 0.07 -0.84 -0.16 0.00 -1.00 0.00 0.00 59.36 57.43 2bjw h GLU 125 Cb 0.82 0.31 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 2bjw h GLU 125 CO 0.07 1.40 -1.95 0.66 -1.00 0.00 0.00 179.01 178.19 2bjw n TYR 126 N -3.67 0.27 -1.76 4.33 0.53 0.15 -5.02 117.16 111.98 2bjw n TYR 126 Ca -0.19 0.09 -0.06 0.00 -1.02 0.00 0.00 57.90 56.72 2bjw n TYR 126 Cb 1.10 -0.82 -0.01 0.00 -1.03 0.00 0.00 39.34 38.57 2bjw n TYR 126 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2bjw n GLY 127 N 1.45 0.39 3.23 2.72 0.00 0.27 -5.03 105.19 108.23 2bjw n GLY 127 Ca -0.15 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 2bjw n GLY 127 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bjw s GLU 128 N -3.63 0.74 0.17 1.61 -1.05 -1.25 -1.59 118.70 113.70 2bjw s GLU 128 Ca 0.00 -0.44 -0.11 0.00 -0.15 0.00 0.00 54.97 54.27 2bjw s GLU 128 Cb 0.00 0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 33.94 2bjw s GLU 128 CO 0.00 -0.22 0.51 -0.51 0.95 0.00 0.00 175.26 175.99 2bjw s LEU 129 N -1.86 4.26 0.37 1.83 1.43 0.83 -4.44 118.68 121.10 2bjw s LEU 129 Ca -0.08 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 53.82 2bjw s LEU 129 Cb -0.02 -3.40 -0.08 0.00 0.03 0.00 0.00 46.19 42.72 2bjw s LEU 129 CO -0.01 0.04 0.78 -0.70 0.23 0.00 0.00 176.35 176.68 2bjw s GLU 130 N -2.35 3.96 0.03 1.70 2.12 -1.26 -2.61 118.70 120.28 2bjw s GLU 130 Ca 0.41 0.67 0.01 0.00 0.36 0.00 0.00 54.97 56.43 2bjw s GLU 130 Cb -0.13 -2.38 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 2bjw s GLU 130 CO 0.20 0.06 -0.06 1.03 -0.54 0.00 0.00 175.26 175.95 2bjw s ARG 131 N -3.30 0.42 0.55 4.30 0.52 -1.26 -4.84 118.95 115.35 2bjw s ARG 131 Ca 0.54 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 55.25 2bjw s ARG 131 Cb -0.10 -0.21 0.04 0.00 0.52 0.00 0.00 34.95 35.20 2bjw s ARG 131 CO 0.22 0.04 0.42 0.08 0.02 0.00 0.00 175.30 176.07 2bjw s VAL 132 N -1.05 1.63 0.00 3.52 1.01 -1.26 -4.84 120.40 119.41 2bjw s VAL 132 Ca -0.08 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.42 2bjw s VAL 132 Cb -0.08 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.19 2bjw s VAL 132 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2bjw n GLY 133 N -1.79 0.46 2.75 4.51 0.00 -1.26 -3.05 105.19 106.81 2bjw n GLY 133 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2bjw n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjw n GLY 134 N -1.57 2.41 3.74 -0.02 0.00 -1.26 -5.02 105.19 103.47 2bjw n GLY 134 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2bjw n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bjw s SER 135 N -3.68 7.53 0.65 1.61 0.01 -1.17 -5.05 113.70 113.59 2bjw s SER 135 Ca 0.00 1.82 -0.15 0.00 1.31 0.00 0.00 55.95 58.93 2bjw s SER 135 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 2bjw s SER 135 CO 0.00 0.05 1.10 -1.10 0.41 0.00 0.00 173.24 173.70 2bjw s GLN 136 N -0.54 2.88 0.40 12.44 -1.52 -1.26 -4.52 119.66 127.54 2bjw s GLN 136 Ca 0.43 1.35 -0.26 0.00 -1.95 0.00 0.00 55.36 54.93 2bjw s GLN 136 Cb -0.24 -1.96 -0.10 0.00 -0.22 0.00 0.00 33.01 30.48 2bjw s GLN 136 CO 0.30 -1.18 1.32 -2.30 -0.25 0.00 0.00 175.29 173.18 2bjw n PRO 137 N -2.38 2.12 -3.11 2.91 -0.02 -1.26 -4.73 135.00 128.52 2bjw n PRO 137 Ca 0.10 0.75 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 2bjw n PRO 137 Cb 0.52 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 2bjw n PRO 137 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2bjw s LEU 138 N -1.65 4.17 0.10 2.45 1.43 -1.07 -4.92 118.68 119.18 2bjw s LEU 138 Ca 0.58 0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 54.26 2bjw s LEU 138 Cb -0.51 -2.91 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 2bjw s LEU 138 CO 0.60 -0.25 0.95 -1.10 0.23 0.00 0.00 176.35 176.78 2bjw s GLN 139 N 1.76 4.68 0.06 1.70 -1.52 -1.26 -0.12 119.66 124.96 2bjw s GLN 139 Ca 0.30 1.43 0.04 0.00 -1.95 0.00 0.00 55.36 55.17 2bjw s GLN 139 Cb -0.16 -3.38 -0.03 0.00 -0.22 0.00 0.00 33.01 29.22 2bjw s GLN 139 CO 0.11 0.20 -0.11 0.14 -0.25 0.00 0.00 175.29 175.38 2bjw s VAL 140 N 0.06 0.83 -0.38 1.09 -7.23 -0.62 -4.93 120.40 109.22 2bjw s VAL 140 Ca 0.47 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 2bjw s VAL 140 Cb -0.23 -0.94 0.13 0.00 0.56 0.00 0.00 36.38 35.91 2bjw s VAL 140 CO 0.29 -0.36 0.21 0.21 -0.31 0.00 0.00 175.10 175.13 2bjw s ASN 141 N -1.82 3.41 -0.03 4.85 2.47 -1.26 -4.60 114.94 117.96 2bjw s ASN 141 Ca -0.04 -2.27 0.01 0.00 0.42 0.00 0.00 52.86 50.99 2bjw s ASN 141 Cb -0.08 -0.72 0.01 0.00 -1.45 0.00 0.00 41.25 39.01 2bjw s ASN 141 CO 0.01 -0.31 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.34 2bjw s VAL 142 N 0.88 0.54 -0.20 -5.21 1.01 -1.26 -0.62 120.40 115.53 2bjw s VAL 142 Ca 0.16 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 2bjw s VAL 142 Cb -0.23 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2bjw s VAL 142 CO -0.04 0.20 0.51 -0.60 0.00 0.00 0.00 175.10 175.16 2bjw s ARG 143 N 0.49 4.19 -0.14 2.72 3.00 -0.73 -4.95 118.95 123.53 2bjw s ARG 143 Ca -0.06 0.39 -0.09 0.00 -1.00 0.00 0.00 55.73 54.97 2bjw s ARG 143 Cb -0.10 -3.56 -0.05 0.00 0.00 0.00 0.00 34.95 31.25 2bjw s ARG 143 CO 0.00 -0.13 0.17 -1.17 0.00 0.00 0.00 175.30 174.17 2bjw s LEU 144 N 1.57 4.31 -0.09 -0.88 2.96 -1.26 -1.10 118.68 124.20 2bjw s LEU 144 Ca 0.24 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.59 2bjw s LEU 144 Cb -0.15 -2.15 0.01 0.00 0.50 0.00 0.00 46.19 44.40 2bjw s LEU 144 CO 0.09 0.29 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.59 2bjw s VAL 145 N -0.37 1.30 0.24 1.68 1.01 -0.17 -1.93 120.40 122.17 2bjw s VAL 145 Ca 0.13 -0.54 0.12 0.00 0.00 0.00 0.00 61.98 61.68 2bjw s VAL 145 Cb -0.12 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2bjw s VAL 145 CO 0.02 0.40 -0.21 0.00 0.00 0.00 0.00 175.10 175.31 2bjw s ALA 147 N -2.15 0.43 0.18 0.00 0.00 -0.45 -0.14 121.76 119.63 2bjw s ALA 147 Ca 0.26 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 2bjw s ALA 147 Cb -0.06 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.21 2bjw s ALA 147 CO 0.13 -0.09 0.75 -0.08 0.00 0.00 0.00 175.76 176.47 2bjw s THR 148 N -1.58 0.00 -0.50 0.00 -1.32 -0.56 -1.79 115.64 109.89 2bjw s THR 148 Ca -0.11 -0.47 0.05 0.00 -1.21 0.00 0.00 61.69 59.95 2bjw s THR 148 Cb -0.09 -1.54 0.11 0.00 -1.51 0.00 0.00 72.50 69.48 2bjw s THR 148 CO -0.01 0.00 0.99 -3.20 -2.21 0.00 0.00 174.62 170.19 2bjw n ASN 149 N -0.41 2.14 -4.74 8.08 5.15 -1.25 -1.29 115.26 122.96 2bjw n ASN 149 Ca -0.09 -1.77 -0.30 0.00 -0.60 0.00 0.00 54.58 51.82 2bjw n ASN 149 Cb 0.62 -0.08 0.12 0.00 -0.53 0.00 0.00 39.78 39.91 2bjw n ASN 149 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bjw s ALA 150 N -0.83 1.86 -0.96 5.20 0.00 -1.26 -4.91 121.76 120.86 2bjw s ALA 150 Ca 0.09 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.01 2bjw s ALA 150 Cb 0.05 -3.24 0.17 0.00 0.00 0.00 0.00 23.12 20.10 2bjw s ALA 150 CO 0.07 -2.11 1.09 0.34 0.00 0.00 0.00 175.76 175.15 2bjw s ASP 151 N -3.37 6.76 0.20 0.00 -1.08 -1.26 -4.91 116.67 113.01 2bjw s ASP 151 Ca 0.62 -2.42 -0.11 0.00 -0.52 0.00 0.00 52.55 50.13 2bjw s ASP 151 Cb -0.18 -2.34 0.13 0.00 -1.46 0.00 0.00 42.92 39.07 2bjw s ASP 151 CO 0.57 -0.86 1.86 -0.07 0.52 0.00 0.00 175.17 177.18 2bjw h LEU 152 N 9.49 0.82 -1.13 -1.34 3.38 -1.99 -1.42 115.31 123.11 2bjw h LEU 152 Ca 0.17 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.19 2bjw h LEU 152 Cb 1.00 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 2bjw h LEU 152 CO 1.04 0.62 0.60 -0.65 0.09 0.00 0.00 178.44 180.14 2bjw h PRO 153 N 0.95 0.94 -0.42 1.13 0.11 -1.99 -0.26 132.00 132.45 2bjw h PRO 153 Ca 0.25 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.22 2bjw h PRO 153 Cb -0.07 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.81 2bjw h PRO 153 CO -0.05 0.62 -0.11 0.00 -0.21 0.00 0.00 178.00 178.25 2bjw h ALA 154 N 1.53 1.00 -0.42 -0.75 0.00 -1.79 -2.51 119.26 116.33 2bjw h ALA 154 Ca 0.43 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2bjw h ALA 154 Cb 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2bjw h ALA 154 CO -0.19 0.60 -0.13 0.52 0.00 0.00 0.00 179.25 180.05 2bjw h MET 155 N 0.69 0.77 -0.51 0.00 2.86 -0.31 -2.22 114.93 116.21 2bjw h MET 155 Ca 0.12 -0.27 0.08 0.00 -2.06 0.00 0.00 59.70 57.57 2bjw h MET 155 Cb 0.59 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.12 2bjw h MET 155 CO 0.04 0.87 0.14 0.28 1.06 0.00 0.00 176.91 179.29 2bjw h VAL 156 N 0.69 0.76 -0.29 -2.22 2.07 -0.75 -0.51 116.25 116.00 2bjw h VAL 156 Ca 0.11 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 2bjw h VAL 156 Cb 0.62 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2bjw h VAL 156 CO 0.04 0.05 -0.04 0.78 0.02 0.00 0.00 177.57 178.43 2bjw h ASN 157 N 0.29 0.43 1.26 0.57 2.35 -1.03 -1.56 115.58 117.89 2bjw h ASN 157 Ca 0.25 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2bjw h ASN 157 Cb 0.32 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2bjw h ASN 157 CO -0.30 0.52 0.00 -0.62 -1.65 0.00 0.00 177.43 175.38 2bjw n GLU 158 N -4.28 0.16 -0.51 0.81 1.02 -0.88 -4.93 120.64 112.04 2bjw n GLU 158 Ca 0.01 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2bjw n GLU 158 Cb 0.25 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2bjw n GLU 158 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bjw n GLY 159 N 1.31 0.74 0.66 0.62 0.00 -0.49 -4.95 105.19 103.08 2bjw n GLY 159 Ca 0.06 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.16 2bjw n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bjw n THR 160 N -2.51 0.00 -3.88 2.61 -2.24 -0.32 -4.91 114.28 103.02 2bjw n THR 160 Ca 0.00 -0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 2bjw n THR 160 Cb 0.00 1.34 -0.12 0.00 -2.10 0.00 0.00 70.33 69.45 2bjw n THR 160 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2bjw s PHE 161 N -2.06 0.03 -0.06 4.78 5.36 -1.09 -4.84 117.98 120.10 2bjw s PHE 161 Ca 0.21 -0.05 -0.30 0.00 -0.96 0.00 0.00 56.93 55.83 2bjw s PHE 161 Cb 0.17 -0.04 -0.03 0.00 -0.34 0.00 0.00 43.02 42.79 2bjw s PHE 161 CO 0.40 -0.12 1.13 1.03 -1.46 0.00 0.00 175.22 176.21 2bjw s ARG 162 N -0.57 4.38 0.21 10.12 0.52 -1.26 -3.91 118.95 128.45 2bjw s ARG 162 Ca -0.06 1.58 -0.08 0.00 -0.52 0.00 0.00 55.73 56.65 2bjw s ARG 162 Cb -0.04 -3.54 0.16 0.00 0.52 0.00 0.00 34.95 32.05 2bjw s ARG 162 CO 0.00 -0.38 1.78 0.00 0.02 0.00 0.00 175.30 176.72 2bjw h ALA 163 N 7.29 1.03 -0.46 2.13 0.00 -1.97 -2.23 119.26 125.04 2bjw h ALA 163 Ca -0.34 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2bjw h ALA 163 Cb 1.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2bjw h ALA 163 CO 0.86 0.64 0.05 0.38 0.00 0.00 0.00 179.25 181.18 2bjw h ASP 164 N 1.14 0.76 -0.39 0.00 3.04 -1.98 0.17 116.42 119.16 2bjw h ASP 164 Ca 0.27 -0.28 0.04 0.00 -3.24 0.00 0.00 57.03 53.82 2bjw h ASP 164 Cb 0.19 -0.20 -0.04 0.00 -1.04 0.00 0.00 39.33 38.24 2bjw h ASP 164 CO -0.02 0.85 0.15 0.25 -2.04 0.00 0.00 179.24 178.43 2bjw h LEU 165 N 0.65 0.18 -1.00 0.15 5.85 -1.89 -2.23 115.31 117.03 2bjw h LEU 165 Ca 0.14 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 2bjw h LEU 165 Cb 0.43 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2bjw h LEU 165 CO 0.01 0.14 -0.40 0.25 -0.34 0.00 0.00 178.44 178.10 2bjw h LEU 166 N 0.32 0.00 -1.13 2.25 5.85 -1.10 0.14 115.31 121.64 2bjw h LEU 166 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2bjw h LEU 166 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2bjw h LEU 166 CO -0.16 0.40 0.00 0.47 -0.34 0.00 0.00 178.44 178.81 2bjw n ASP 167 N -3.65 0.59 -0.01 1.25 8.00 0.56 -3.11 116.55 120.19 2bjw n ASP 167 Ca -0.01 0.72 -0.01 0.00 0.71 0.00 0.00 54.79 56.20 2bjw n ASP 167 Cb 0.50 -0.82 -0.01 0.00 -0.02 0.00 0.00 41.12 40.78 2bjw n ASP 167 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2bjw n ARG 168 N -2.23 0.03 -0.28 -1.24 3.00 -0.88 -4.78 116.66 110.27 2bjw n ARG 168 Ca -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2bjw n ARG 168 Cb 0.11 -0.84 0.13 0.00 0.00 0.00 0.00 32.46 31.85 2bjw n ARG 168 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2bjw h LEU 169 N -0.02 0.75 -4.97 6.15 3.38 -0.81 -3.14 115.31 116.64 2bjw h LEU 169 Ca -0.03 0.02 -0.58 0.00 0.09 0.00 0.00 57.88 57.38 2bjw h LEU 169 Cb 1.04 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 2bjw h LEU 169 CO -0.01 0.48 1.60 0.00 0.09 0.00 0.00 178.44 180.60 2bjw n ALA 170 N -2.35 6.75 -0.13 1.53 0.00 -1.18 -4.16 120.51 120.97 2bjw n ALA 170 Ca 0.11 -3.37 -0.04 0.00 0.00 0.00 0.00 53.44 50.13 2bjw n ALA 170 Cb 0.17 -2.60 0.04 0.00 0.00 0.00 0.00 19.45 17.06 2bjw n ALA 170 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2bjw h PHE 171 N 3.93 0.11 -4.22 0.00 3.57 -1.68 -3.43 116.94 115.22 2bjw h PHE 171 Ca 0.56 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.92 2bjw h PHE 171 Cb 0.59 0.02 -0.13 0.00 2.79 0.00 0.00 35.95 39.22 2bjw h PHE 171 CO 1.63 -0.01 -0.46 0.34 -2.23 0.00 0.00 178.31 177.58 2bjw s ASP 172 N -5.30 0.11 -0.05 0.41 -1.08 -1.26 -5.09 116.67 104.42 2bjw s ASP 172 Ca -0.13 -1.15 0.02 0.00 -0.52 0.00 0.00 52.55 50.77 2bjw s ASP 172 Cb 0.14 0.42 0.01 0.00 -1.46 0.00 0.00 42.92 42.02 2bjw s ASP 172 CO 0.72 -0.89 -0.11 -0.69 0.52 0.00 0.00 175.17 174.72 2bjw s VAL 173 N -4.07 0.97 -0.29 1.11 1.01 -1.26 -2.26 120.40 115.62 2bjw s VAL 173 Ca 0.28 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 2bjw s VAL 173 Cb 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2bjw s VAL 173 CO 0.07 0.31 0.07 -0.69 0.00 0.00 0.00 175.10 174.86 2bjw s VAL 174 N 0.48 3.99 -0.35 2.92 1.01 -0.17 -5.00 120.40 123.28 2bjw s VAL 174 Ca -0.09 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 2bjw s VAL 174 Cb -0.13 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 2bjw s VAL 174 CO 0.02 0.13 0.22 -1.10 0.00 0.00 0.00 175.10 174.36 2bjw s GLN 175 N 1.51 3.27 -0.13 2.72 -1.52 -1.26 -0.53 119.66 123.73 2bjw s GLN 175 Ca 0.03 -0.79 -0.23 0.00 -1.95 0.00 0.00 55.36 52.42 2bjw s GLN 175 Cb -0.17 -3.75 -0.03 0.00 -0.22 0.00 0.00 33.01 28.85 2bjw s GLN 175 CO 0.02 -0.52 0.71 -0.51 -0.25 0.00 0.00 175.29 174.75 2bjw s LEU 176 N 1.66 4.24 0.16 2.90 1.43 -0.13 -4.94 118.68 123.99 2bjw s LEU 176 Ca 0.05 1.09 -0.30 0.00 -1.03 0.00 0.00 54.13 53.94 2bjw s LEU 176 Cb -0.18 -3.07 -0.07 0.00 0.03 0.00 0.00 46.19 42.90 2bjw s LEU 176 CO 0.09 -0.23 1.11 -2.16 0.23 0.00 0.00 176.35 175.39 2bjw s PRO 177 N 1.42 4.57 0.71 1.29 0.04 -1.26 -4.66 135.00 137.11 2bjw s PRO 177 Ca 0.35 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 2bjw s PRO 177 Cb -0.17 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.11 2bjw s PRO 177 CO 0.15 0.02 1.12 -1.25 0.04 0.00 0.00 177.00 177.08 2bjw s PRO 178 N -0.13 2.46 0.34 0.56 0.04 -1.26 -4.91 135.00 132.10 2bjw s PRO 178 Ca 0.51 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.98 2bjw s PRO 178 Cb -0.29 -1.91 0.62 0.00 0.04 0.00 0.00 34.50 32.97 2bjw s PRO 178 CO 0.34 -1.52 1.99 1.25 0.04 0.00 0.00 177.00 179.10 2bjw h LEU 179 N -0.40 0.76 -2.48 -3.56 5.85 -1.90 -1.72 115.31 111.86 2bjw h LEU 179 Ca -0.46 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2bjw h LEU 179 Cb 1.25 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2bjw h LEU 179 CO 0.52 0.53 0.00 0.08 -0.34 0.00 0.00 178.44 179.23 2bjw h ARG 180 N 0.89 0.00 -0.37 1.25 0.11 -1.88 -0.16 114.38 114.23 2bjw h ARG 180 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 2bjw h ARG 180 Cb -0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.06 2bjw h ARG 180 CO -0.07 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.39 2bjw n GLU 181 N -2.95 2.22 -2.69 0.08 1.02 -0.65 -4.37 120.64 113.30 2bjw n GLU 181 Ca -0.02 -1.86 -0.19 0.00 -0.02 0.00 0.00 57.16 55.08 2bjw n GLU 181 Cb 0.11 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2bjw n GLU 181 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2bjw n ARG 182 N 1.05 2.17 -0.25 3.49 1.74 -0.07 -4.95 116.66 119.84 2bjw n ARG 182 Ca 0.18 -3.89 0.23 0.00 -0.77 0.00 0.00 57.85 53.60 2bjw n ARG 182 Cb 0.49 -1.77 0.58 0.00 -1.02 0.00 0.00 32.46 30.74 2bjw n ARG 182 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2bjw h GLU 183 N 2.85 0.27 -0.59 5.56 5.08 -1.76 0.66 114.58 126.65 2bjw h GLU 183 Ca 0.09 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2bjw h GLU 183 Cb 0.99 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 2bjw h GLU 183 CO 0.66 0.18 0.39 0.66 -1.00 0.00 0.00 179.01 179.90 2bjw h SER 184 N 0.27 0.54 1.30 1.42 4.64 -1.92 -1.84 113.55 117.96 2bjw h SER 184 Ca 0.50 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.74 2bjw h SER 184 Cb 1.46 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 2bjw h SER 184 CO -0.15 0.36 -0.34 0.44 -0.87 0.00 0.00 176.83 176.27 2bjw h ASP 185 N 0.62 0.00 0.44 4.97 3.32 -1.23 -3.22 116.42 121.32 2bjw h ASP 185 Ca 0.25 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 2bjw h ASP 185 Cb 0.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2bjw h ASP 185 CO -0.07 0.34 -0.36 0.40 -1.72 0.00 0.00 179.24 177.83 2bjw h ILE 186 N 0.00 0.27 -0.11 0.35 2.04 -1.18 -0.03 117.51 118.85 2bjw h ILE 186 Ca -0.00 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 2bjw h ILE 186 Cb 1.08 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2bjw h ILE 186 CO 0.04 0.00 -0.43 0.24 0.00 0.00 0.00 178.15 178.00 2bjw h MET 187 N -0.79 0.25 0.02 2.37 2.86 -1.67 0.80 114.93 118.78 2bjw h MET 187 Ca -0.04 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2bjw h MET 187 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2bjw h MET 187 CO -0.01 0.64 -0.01 1.25 1.06 0.00 0.00 176.91 179.84 2bjw h LEU 188 N 0.21 -0.02 -0.29 1.22 5.85 -1.55 -0.55 115.31 120.18 2bjw h LEU 188 Ca 0.02 -0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.49 2bjw h LEU 188 Cb 0.85 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2bjw h LEU 188 CO 0.07 0.03 -0.87 0.24 -0.34 0.00 0.00 178.44 177.57 2bjw h MET 189 N -0.08 0.22 -0.25 1.25 2.86 -0.88 -2.52 114.93 115.53 2bjw h MET 189 Ca -0.00 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.42 2bjw h MET 189 Cb 0.07 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2bjw h MET 189 CO 0.00 0.96 0.11 0.00 1.06 0.00 0.00 176.91 179.05 2bjw h ALA 190 N 0.96 0.30 -0.66 6.32 0.00 -0.75 -0.82 119.26 124.61 2bjw h ALA 190 Ca -0.05 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2bjw h ALA 190 Cb 1.49 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 2bjw h ALA 190 CO 0.13 -0.29 0.40 1.49 0.00 0.00 0.00 179.25 180.98 2bjw h GLU 191 N 0.24 0.74 -0.19 0.00 4.81 -1.07 -0.51 114.58 118.60 2bjw h GLU 191 Ca 0.11 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2bjw h GLU 191 Cb 0.05 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2bjw h GLU 191 CO -0.09 0.49 0.11 -0.92 -0.73 0.00 0.00 179.01 177.86 2bjw h TYR 192 N 0.76 0.27 -0.39 0.92 3.20 -1.01 -1.06 116.97 119.66 2bjw h TYR 192 Ca 0.28 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 2bjw h TYR 192 Cb 0.09 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2bjw h TYR 192 CO -0.06 0.25 -0.02 0.74 -1.64 0.00 0.00 178.16 177.43 2bjw h PHE 193 N 0.21 0.66 -0.27 -3.82 0.05 -1.01 -2.56 116.94 110.19 2bjw h PHE 193 Ca 0.07 -0.08 -0.07 0.00 3.82 0.00 0.00 57.97 61.71 2bjw h PHE 193 Cb 0.07 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 37.83 2bjw h PHE 193 CO -0.04 0.64 -0.10 0.00 -0.18 0.00 0.00 178.31 178.63 2bjw h ALA 194 N 1.40 0.37 -0.76 2.45 0.00 -0.78 -1.52 119.26 120.42 2bjw h ALA 194 Ca 0.12 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2bjw h ALA 194 Cb 0.40 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2bjw h ALA 194 CO 0.02 0.22 0.47 0.82 0.00 0.00 0.00 179.25 180.78 2bjw h ILE 195 N 0.28 1.08 -0.55 0.00 2.04 -1.07 -0.44 117.51 118.85 2bjw h ILE 195 Ca 0.06 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 2bjw h ILE 195 Cb 0.60 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2bjw h ILE 195 CO 0.03 0.17 -0.07 1.56 0.00 0.00 0.00 178.15 179.84 2bjw h GLN 196 N 0.91 1.00 -0.39 2.37 4.20 -1.29 -1.61 115.11 120.30 2bjw h GLN 196 Ca 0.31 -0.34 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 2bjw h GLN 196 Cb 0.06 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2bjw h GLN 196 CO -0.13 1.02 -0.15 1.98 -0.67 0.00 0.00 178.83 180.88 2bjw h MET 197 N 0.90 0.70 -0.66 1.46 4.05 -0.82 -1.73 114.93 118.83 2bjw h MET 197 Ca 0.15 -0.24 0.05 0.00 -0.28 0.00 0.00 59.70 59.38 2bjw h MET 197 Cb 0.62 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.31 2bjw h MET 197 CO 0.04 0.81 0.38 0.00 0.23 0.00 0.00 176.91 178.38 2bjw h ARG 199 N 0.72 0.83 -0.96 0.00 2.47 -0.91 0.11 114.38 116.64 2bjw h ARG 199 Ca 0.29 -0.09 0.01 0.00 -1.26 0.00 0.00 59.98 58.93 2bjw h ARG 199 Cb 0.13 -0.17 -0.05 0.00 -1.65 0.00 0.00 29.97 28.23 2bjw h ARG 199 CO -0.16 0.61 0.64 1.49 0.56 0.00 0.00 179.97 183.11 2bjw h GLU 200 N 0.81 1.26 -0.54 0.04 4.81 -0.80 -2.68 114.58 117.48 2bjw h GLU 200 Ca 0.21 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2bjw h GLU 200 Cb 0.01 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.11 2bjw h GLU 200 CO -0.04 0.83 0.00 0.44 -0.73 0.00 0.00 179.01 179.52 2bjw n ILE 201 N -4.39 0.76 -2.87 2.32 -5.35 -0.59 -4.98 119.36 104.25 2bjw n ILE 201 Ca 0.11 -0.88 -0.16 0.00 -0.27 0.00 0.00 62.75 61.56 2bjw n ILE 201 Cb 0.02 0.73 0.03 0.00 -1.74 0.00 0.00 39.64 38.68 2bjw n ILE 201 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2bjw n LYS 202 N 1.46 -3.79 -2.74 6.28 5.02 0.03 -5.01 118.16 119.41 2bjw n LYS 202 Ca 0.21 0.62 -0.40 0.00 -2.02 0.00 0.00 58.31 56.71 2bjw n LYS 202 Cb 0.59 -4.88 -0.06 0.00 -0.02 0.00 0.00 35.03 30.66 2bjw n LYS 202 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2bjw s LEU 203 N -4.85 4.64 0.34 -0.35 1.43 0.15 -4.98 118.68 115.06 2bjw s LEU 203 Ca 0.25 1.96 0.07 0.00 -1.03 0.00 0.00 54.13 55.38 2bjw s LEU 203 Cb -0.11 -3.61 0.63 0.00 0.03 0.00 0.00 46.19 43.13 2bjw s LEU 203 CO 0.31 0.15 1.83 1.55 0.23 0.00 0.00 176.35 180.41 2bjw h PRO 204 N 4.16 0.29 -2.62 1.29 0.13 -1.95 -3.41 132.00 129.89 2bjw h PRO 204 Ca -0.45 -0.09 -0.10 0.00 -0.87 0.00 0.00 66.00 64.49 2bjw h PRO 204 Cb 1.20 -0.03 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 2bjw h PRO 204 CO 0.68 0.49 -0.15 -1.17 -0.23 0.00 0.00 178.00 177.63 2bjw s LEU 205 N -8.63 0.24 -0.21 1.56 2.96 -1.26 -5.09 118.68 108.24 2bjw s LEU 205 Ca -0.05 0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 54.31 2bjw s LEU 205 Cb 0.15 1.65 -0.01 0.00 0.50 0.00 0.00 46.19 48.48 2bjw s LEU 205 CO 0.75 -0.27 1.33 0.12 -1.32 0.00 0.00 176.35 176.96 2bjw s PHE 206 N -0.24 2.66 -2.05 5.38 5.36 -1.26 -4.59 117.98 123.24 2bjw s PHE 206 Ca -0.04 0.87 0.24 0.00 -0.96 0.00 0.00 56.93 57.03 2bjw s PHE 206 Cb -0.03 -3.72 1.36 0.00 -0.34 0.00 0.00 43.02 40.28 2bjw s PHE 206 CO 0.02 -1.95 1.88 -0.35 -1.46 0.00 0.00 175.22 173.37 2bjw n PRO 207 N 7.00 1.09 0.00 10.12 -0.04 -1.26 -5.01 135.00 146.91 2bjw n PRO 207 Ca 0.15 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2bjw n PRO 207 Cb 0.45 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2bjw n PRO 207 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bjw n GLY 208 N 0.91 1.16 3.49 0.55 0.00 -1.26 -4.17 105.19 105.87 2bjw n GLY 208 Ca 0.18 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 2bjw n GLY 208 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bjw s PHE 209 N -1.79 3.01 0.97 1.61 0.40 -1.26 -0.24 117.98 120.68 2bjw s PHE 209 Ca 0.00 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 55.90 2bjw s PHE 209 Cb 0.00 -1.95 0.17 0.00 0.51 0.00 0.00 43.02 41.75 2bjw s PHE 209 CO 0.00 -0.04 1.09 0.95 0.70 0.00 0.00 175.22 177.92 2bjw s THR 210 N 0.36 2.33 0.32 0.64 -4.23 -0.39 -4.81 115.64 109.86 2bjw s THR 210 Ca -0.05 0.11 -0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2bjw s THR 210 Cb -0.14 -2.31 0.25 0.00 1.34 0.00 0.00 72.50 71.64 2bjw s THR 210 CO 0.03 -0.14 1.98 -0.08 -0.54 0.00 0.00 174.62 175.87 2bjw h GLU 211 N -1.94 0.95 -0.90 3.99 4.57 -1.97 -1.14 114.58 118.14 2bjw h GLU 211 Ca -0.50 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.60 2bjw h GLU 211 Cb 1.29 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 2bjw h GLU 211 CO 0.49 0.65 0.52 -0.09 -1.18 0.00 0.00 179.01 179.40 2bjw h ARG 212 N 0.98 1.23 -0.52 1.92 2.43 -1.92 -0.59 114.38 117.91 2bjw h ARG 212 Ca 0.26 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2bjw h ARG 212 Cb -0.08 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.19 2bjw h ARG 212 CO -0.05 0.88 0.30 0.00 -1.51 0.00 0.00 179.97 179.58 2bjw h ALA 213 N 1.28 0.67 -0.75 2.80 0.00 -1.50 -1.39 119.26 120.37 2bjw h ALA 213 Ca 0.32 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2bjw h ALA 213 Cb -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2bjw h ALA 213 CO -0.06 0.18 0.32 0.00 0.00 0.00 0.00 179.25 179.69 2bjw h ARG 214 N 0.70 1.09 -0.75 0.00 3.08 -0.84 0.43 114.38 118.09 2bjw h ARG 214 Ca 0.18 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 2bjw h ARG 214 Cb 0.03 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 2bjw h ARG 214 CO -0.03 0.86 0.27 0.93 -1.07 0.00 0.00 179.97 180.93 2bjw h GLU 215 N 1.07 1.13 -0.20 0.04 5.08 -0.76 0.52 114.58 121.46 2bjw h GLU 215 Ca 0.25 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2bjw h GLU 215 Cb 0.16 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2bjw h GLU 215 CO -0.03 0.94 -0.01 1.15 -1.00 0.00 0.00 179.01 180.06 2bjw h THR 216 N 1.09 1.26 -0.40 1.13 2.02 -0.69 0.46 112.91 117.79 2bjw h THR 216 Ca 0.25 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 2bjw h THR 216 Cb 0.25 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 2bjw h THR 216 CO -0.01 0.28 0.23 -0.07 0.37 0.00 0.00 175.52 176.31 2bjw h LEU 217 N 0.11 0.50 0.00 2.58 3.38 -0.70 -2.56 115.31 118.62 2bjw h LEU 217 Ca 0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2bjw h LEU 217 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2bjw h LEU 217 CO 0.01 0.43 -0.45 -0.07 0.09 0.00 0.00 178.44 178.46 2bjw h LEU 218 N 0.52 0.00 0.00 1.67 3.38 -0.78 -3.26 115.31 116.84 2bjw h LEU 218 Ca 0.14 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 2bjw h LEU 218 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2bjw h LEU 218 CO -0.02 0.14 -1.00 0.78 0.09 0.00 0.00 178.44 178.43 2bjw h ASN 219 N 0.00 0.00 -3.99 -0.43 2.35 -0.87 -3.47 115.58 109.17 2bjw h ASN 219 Ca -0.01 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.25 2bjw h ASN 219 Cb 1.12 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.52 2bjw h ASN 219 CO 0.02 0.46 0.42 -0.47 -1.65 0.00 0.00 177.43 176.20 2bjw s TYR 220 N -3.00 3.14 -0.84 1.19 5.04 -0.97 -4.96 117.35 116.95 2bjw s TYR 220 Ca 0.00 1.61 0.27 0.00 -2.44 0.00 0.00 57.07 56.51 2bjw s TYR 220 Cb 0.08 -3.16 0.98 0.00 0.35 0.00 0.00 41.96 40.22 2bjw s TYR 220 CO 0.78 -0.82 1.83 0.54 -1.34 0.00 0.00 175.55 176.55 2bjw n ARG 221 N -0.34 0.16 -3.66 4.97 1.74 -1.26 -4.90 116.66 113.37 2bjw n ARG 221 Ca 0.06 0.13 -0.29 0.00 -0.77 0.00 0.00 57.85 56.99 2bjw n ARG 221 Cb 0.50 -1.68 0.03 0.00 -1.02 0.00 0.00 32.46 30.29 2bjw n ARG 221 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2bjw n TRP 222 N -1.96 -2.00 0.21 -1.55 7.02 -1.26 -4.46 117.44 113.45 2bjw n TRP 222 Ca 0.06 0.54 0.16 0.00 -1.02 0.00 0.00 57.50 57.24 2bjw n TRP 222 Cb 0.39 -3.37 0.82 0.00 -2.42 0.00 0.00 31.31 26.73 2bjw n TRP 222 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 2bjw h PRO 223 N -1.51 0.00 -0.62 -0.99 0.13 -1.95 -0.78 132.00 126.29 2bjw h PRO 223 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2bjw h PRO 223 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2bjw h PRO 223 CO 0.45 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 2bjw n GLY 224 N -1.42 2.75 7.00 1.56 0.00 -1.26 -4.50 105.19 109.32 2bjw n GLY 224 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2bjw n GLY 224 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bjw n ASN 225 N 1.13 0.00 -0.20 1.61 3.02 -0.30 -2.17 115.26 118.35 2bjw n ASN 225 Ca 0.23 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.69 2bjw n ASN 225 Cb 0.74 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.92 2bjw n ASN 225 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2bjw h ILE 226 N 0.00 1.26 -0.26 2.41 1.08 -1.41 -0.48 117.51 120.11 2bjw h ILE 226 Ca 0.00 -1.04 0.04 0.00 -0.39 0.00 0.00 64.86 63.48 2bjw h ILE 226 Cb 0.00 0.83 -0.04 0.00 -3.07 0.00 0.00 36.82 34.53 2bjw h ILE 226 CO 0.00 0.38 0.00 -0.09 -0.69 0.00 0.00 178.15 177.75 2bjw h ARG 227 N 0.85 0.08 -0.54 2.37 2.43 -1.57 -0.32 114.38 117.68 2bjw h ARG 227 Ca 0.17 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2bjw h ARG 227 Cb 0.47 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2bjw h ARG 227 CO 0.02 0.06 0.23 1.49 -1.51 0.00 0.00 179.97 180.25 2bjw h GLU 228 N 0.09 0.80 -0.40 0.20 4.81 -1.22 -2.21 114.58 116.65 2bjw h GLU 228 Ca 0.12 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2bjw h GLU 228 Cb 0.16 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2bjw h GLU 228 CO -0.21 0.68 0.21 1.25 -0.73 0.00 0.00 179.01 180.22 2bjw h LEU 229 N 0.73 0.33 -0.52 1.64 5.85 -0.62 -0.40 115.31 122.32 2bjw h LEU 229 Ca 0.18 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.94 2bjw h LEU 229 Cb 0.18 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2bjw h LEU 229 CO -0.02 0.24 0.30 0.50 -0.34 0.00 0.00 178.44 179.12 2bjw h LYS 230 N 0.43 0.57 -0.03 1.25 3.64 -0.92 -0.87 116.57 120.64 2bjw h LYS 230 Ca 0.16 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2bjw h LYS 230 Cb 0.05 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2bjw h LYS 230 CO -0.10 0.37 0.01 -0.91 -2.27 0.00 0.00 179.45 176.56 2bjw h ASN 231 N 0.58 0.03 -0.27 4.20 -0.26 -0.90 -0.47 115.58 118.49 2bjw h ASN 231 Ca 0.21 -0.11 0.03 0.00 -0.56 0.00 0.00 56.30 55.87 2bjw h ASN 231 Cb 0.06 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.28 2bjw h ASN 231 CO -0.11 0.14 0.09 0.58 -1.06 0.00 0.00 177.43 177.06 2bjw h VAL 232 N -0.07 0.93 -0.40 2.81 2.07 -0.97 -1.70 116.25 118.92 2bjw h VAL 232 Ca 0.01 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 2bjw h VAL 232 Cb 0.11 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2bjw h VAL 232 CO -0.00 0.04 0.02 0.58 0.02 0.00 0.00 177.57 178.23 2bjw h VAL 233 N 0.21 1.25 -0.33 2.57 2.07 -0.95 -0.70 116.25 120.38 2bjw h VAL 233 Ca 0.12 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.69 2bjw h VAL 233 Cb 0.09 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2bjw h VAL 233 CO -0.13 0.33 0.18 -0.33 0.02 0.00 0.00 177.57 177.64 2bjw h GLU 234 N 0.52 0.36 -0.50 1.57 5.08 -0.94 -0.11 114.58 120.57 2bjw h GLU 234 Ca 0.12 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2bjw h GLU 234 Cb 0.44 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2bjw h GLU 234 CO 0.02 0.24 0.17 -0.09 -1.00 0.00 0.00 179.01 178.35 2bjw h ARG 235 N 0.38 0.76 -0.37 2.33 2.43 -1.21 -2.00 114.38 116.70 2bjw h ARG 235 Ca 0.13 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2bjw h ARG 235 Cb 0.02 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2bjw h ARG 235 CO -0.07 0.70 0.22 0.77 -1.51 0.00 0.00 179.97 180.09 2bjw h SER 236 N 0.67 0.45 -0.28 -3.80 0.02 -0.78 -1.12 113.55 108.72 2bjw h SER 236 Ca 0.16 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2bjw h SER 236 Cb 0.25 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2bjw h SER 236 CO -0.01 0.37 0.16 0.58 -1.14 0.00 0.00 176.83 176.80 2bjw h VAL 237 N 0.49 1.03 -0.37 2.27 2.07 -0.91 -1.65 116.25 119.18 2bjw h VAL 237 Ca 0.13 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.56 2bjw h VAL 237 Cb 0.01 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2bjw h VAL 237 CO -0.02 0.06 0.21 0.22 0.02 0.00 0.00 177.57 178.05 2bjw h TYR 238 N 0.33 0.39 -0.25 1.57 3.20 -1.13 0.26 116.97 121.34 2bjw h TYR 238 Ca 0.11 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 2bjw h TYR 238 Cb -0.00 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2bjw h TYR 238 CO -0.08 0.22 -0.19 0.00 -1.64 0.00 0.00 178.16 176.47 2bjw h ARG 239 N 0.42 0.45 0.48 1.82 3.08 -1.14 -3.07 114.38 116.42 2bjw h ARG 239 Ca 0.15 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2bjw h ARG 239 Cb 0.02 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2bjw h ARG 239 CO -0.08 0.62 -0.23 1.25 -1.07 0.00 0.00 179.97 180.46 2bjw h HIS 240 N 0.41 -0.60 -0.88 3.04 2.76 -1.11 -3.47 115.15 115.29 2bjw h HIS 240 Ca 0.07 -0.01 -0.25 0.00 -2.20 0.00 0.00 60.37 57.98 2bjw h HIS 240 Cb 0.57 0.20 -0.08 0.00 1.55 0.00 0.00 27.41 29.65 2bjw h HIS 240 CO 0.02 -0.29 -0.25 0.41 -1.30 0.00 0.00 177.93 176.52 2bjw n GLY 241 N -0.27 0.95 3.24 5.26 0.00 0.06 -4.98 105.19 109.45 2bjw n GLY 241 Ca -0.10 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 2bjw n GLY 241 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bjw s THR 242 N -2.49 0.07 -2.56 2.61 -1.32 -1.26 -5.02 115.64 105.67 2bjw s THR 242 Ca 0.00 -0.61 0.23 0.00 -1.21 0.00 0.00 61.69 60.11 2bjw s THR 242 Cb 0.00 -0.78 0.39 0.00 -1.51 0.00 0.00 72.50 70.60 2bjw s THR 242 CO 0.00 -0.33 1.40 -1.20 -2.21 0.00 0.00 174.62 172.27 2bjw n SER 243 N 0.91 3.26 0.14 8.08 7.64 -1.26 -4.57 113.62 127.82 2bjw n SER 243 Ca -0.20 -1.97 0.05 0.00 1.01 0.00 0.00 58.87 57.76 2bjw n SER 243 Cb 0.58 -0.20 0.04 0.00 -1.01 0.00 0.00 64.21 63.62 2bjw n SER 243 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2bjw h ASP 244 N 4.35 0.00 -5.10 6.43 3.32 -1.95 -3.43 116.42 120.04 2bjw h ASP 244 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2bjw h ASP 244 Cb 0.95 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.36 2bjw h ASP 244 CO 0.00 0.34 -0.26 -0.72 -1.72 0.00 0.00 179.24 176.88 2bjw s TYR 245 N -3.06 -0.02 0.62 4.55 -0.85 -1.26 -5.14 117.35 112.19 2bjw s TYR 245 Ca 0.03 -0.29 -0.18 0.00 -0.52 0.00 0.00 57.07 56.11 2bjw s TYR 245 Cb 0.07 0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.46 2bjw s TYR 245 CO 0.74 -0.57 1.24 -1.25 -1.52 0.00 0.00 175.55 174.19 2bjw s PRO 246 N -3.42 2.78 -0.11 -3.49 0.04 -1.26 -4.77 135.00 124.77 2bjw s PRO 246 Ca 0.01 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 2bjw s PRO 246 Cb 0.02 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 2bjw s PRO 246 CO -0.09 -1.38 1.30 -1.17 0.04 0.00 0.00 177.00 175.71 2bjw s LEU 247 N -4.24 4.24 -0.11 -3.56 0.20 0.66 -4.76 118.68 111.11 2bjw s LEU 247 Ca 0.79 1.83 0.08 0.00 0.69 0.00 0.00 54.13 57.52 2bjw s LEU 247 Cb -0.33 -3.55 -0.12 0.00 -0.43 0.00 0.00 46.19 41.77 2bjw s LEU 247 CO 0.36 -0.73 0.02 -0.67 -0.29 0.00 0.00 176.35 175.04 2bjw n ASP 248 N 6.15 2.54 -4.37 3.68 2.03 -1.26 -1.27 116.55 124.05 2bjw n ASP 248 Ca 0.13 -0.01 -0.43 0.00 0.52 0.00 0.00 54.79 55.00 2bjw n ASP 248 Cb 0.45 0.63 -0.08 0.00 -0.72 0.00 0.00 41.12 41.39 2bjw n ASP 248 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2bjw s ASP 249 N -4.40 6.04 -0.29 1.67 1.01 -1.26 -3.80 116.67 115.65 2bjw s ASP 249 Ca -0.07 -1.31 -0.18 0.00 0.71 0.00 0.00 52.55 51.71 2bjw s ASP 249 Cb 0.03 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 2bjw s ASP 249 CO 0.40 -0.60 0.50 -0.63 0.21 0.00 0.00 175.17 175.05 2bjw s ILE 250 N 1.61 5.06 -1.14 0.77 -1.09 -1.26 -4.79 121.20 120.35 2bjw s ILE 250 Ca 0.04 0.69 -0.12 0.00 -2.23 0.00 0.00 60.65 59.03 2bjw s ILE 250 Cb -0.23 -3.86 0.22 0.00 -1.58 0.00 0.00 42.46 37.01 2bjw s ILE 250 CO 0.06 -0.00 1.24 -0.63 -1.23 0.00 0.00 174.94 174.38 2bjw s ILE 251 N 2.32 5.51 0.11 2.92 -1.09 -1.26 -4.79 121.20 124.91 2bjw s ILE 251 Ca 0.20 -2.96 -0.17 0.00 -2.23 0.00 0.00 60.65 55.49 2bjw s ILE 251 Cb -0.16 -4.74 -0.05 0.00 -1.58 0.00 0.00 42.46 35.93 2bjw s ILE 251 CO 0.11 -1.39 1.57 0.40 -1.23 0.00 0.00 174.94 174.39 2bjw h ILE 252 N 4.24 1.25 -3.56 2.92 2.04 -1.94 -3.41 117.51 119.05 2bjw h ILE 252 Ca 0.24 -0.89 -0.70 0.00 1.00 0.00 0.00 64.86 64.51 2bjw h ILE 252 Cb 0.89 1.19 -0.30 0.00 -0.74 0.00 0.00 36.82 37.85 2bjw h ILE 252 CO 1.11 0.29 -0.55 -0.62 0.00 0.00 0.00 178.15 178.38 2bjw s ASP 253 N -6.01 5.36 0.13 1.72 2.15 -1.26 -4.95 116.67 113.81 2bjw s ASP 253 Ca -0.13 -1.51 0.19 0.00 0.43 0.00 0.00 52.55 51.52 2bjw s ASP 253 Cb 0.09 -1.88 0.80 0.00 -0.30 0.00 0.00 42.92 41.62 2bjw s ASP 253 CO 0.76 -0.45 1.58 -0.81 -0.17 0.00 0.00 175.17 176.09 2bjw n PRO 254 N 4.77 0.10 0.03 4.34 -0.04 -1.26 -2.23 135.00 140.71 2bjw n PRO 254 Ca -0.09 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 2bjw n PRO 254 Cb 0.43 -1.69 0.43 0.00 -0.04 0.00 0.00 33.50 32.63 2bjw n PRO 254 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2bjw n PHE 255 N -1.87 0.28 -2.46 0.54 3.01 -1.26 -4.83 117.46 110.87 2bjw n PHE 255 Ca 0.03 0.08 -0.41 0.00 1.01 0.00 0.00 57.45 58.16 2bjw n PHE 255 Cb 0.20 -0.56 -0.04 0.00 -0.01 0.00 0.00 39.48 39.07 2bjw n PHE 255 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2bjw s LYS 256 N -3.05 4.54 -1.30 -1.08 1.02 -0.95 -4.95 119.74 113.98 2bjw s LYS 256 Ca 0.12 1.77 -0.18 0.00 0.02 0.00 0.00 55.97 57.70 2bjw s LYS 256 Cb 0.16 -3.27 0.06 0.00 -0.52 0.00 0.00 37.83 34.26 2bjw s LYS 256 CO 0.61 -0.02 1.80 2.89 -0.92 0.00 0.00 175.35 179.71 2bjw n ARG 257 N 2.60 3.07 -2.12 1.68 -4.01 -1.26 -4.90 116.66 111.71 2bjw n ARG 257 Ca 0.04 -3.16 -0.42 0.00 -1.04 0.00 0.00 57.85 53.27 2bjw n ARG 257 Cb 0.46 -3.49 -0.00 0.00 -3.04 0.00 0.00 32.46 26.39 2bjw n ARG 257 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2bjw n ARG 258 N 8.18 3.83 0.00 2.89 1.74 -1.26 -5.28 116.66 126.77 2bjw n ARG 258 Ca 0.49 -3.35 0.00 0.00 -0.77 0.00 0.00 57.85 54.22 2bjw n ARG 258 Cb 0.45 -2.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.03 2bjw n ARG 258 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76