#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bbj s GLN 3 N 0.00 0.79 -0.18 1.45 2.00 -0.48 -5.01 119.66 118.22 1bbj s GLN 3 Ca 0.00 -0.22 0.00 0.00 -2.00 0.00 0.00 55.36 53.14 1bbj s GLN 3 Cb 0.00 -0.76 0.04 0.00 0.80 0.00 0.00 33.01 33.09 1bbj s GLN 3 CO 0.00 0.06 -0.08 -0.51 -0.50 0.00 0.00 175.29 174.26 1bbj s LEU 4 N 0.30 1.99 -0.29 3.68 1.43 -1.26 0.25 118.68 124.78 1bbj s LEU 4 Ca -0.04 -0.79 -0.13 0.00 -1.03 0.00 0.00 54.13 52.14 1bbj s LEU 4 Cb -0.09 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 1bbj s LEU 4 CO 0.00 -0.16 0.27 -1.10 0.23 0.00 0.00 176.35 175.59 1bbj s GLN 5 N 1.50 3.86 0.53 1.70 1.11 -0.46 -4.18 119.66 123.72 1bbj s GLN 5 Ca -0.00 -0.27 0.02 0.00 0.01 0.00 0.00 55.36 55.12 1bbj s GLN 5 Cb -0.16 -3.70 0.03 0.00 -1.01 0.00 0.00 33.01 28.17 1bbj s GLN 5 CO -0.08 -0.29 0.74 -0.65 0.01 0.00 0.00 175.29 175.03 1bbj s GLN 6 N 1.88 2.61 0.79 2.91 -0.21 -1.26 -0.31 119.66 126.07 1bbj s GLN 6 Ca 0.10 -0.82 -0.11 0.00 0.02 0.00 0.00 55.36 54.55 1bbj s GLN 6 Cb -0.16 -2.52 0.07 0.00 1.00 0.00 0.00 33.01 31.40 1bbj s GLN 6 CO 0.11 -0.64 1.12 -1.12 -2.12 0.00 0.00 175.29 172.64 1bbj s SER 7 N -4.40 4.14 0.87 5.90 0.01 -1.21 -4.94 113.70 114.06 1bbj s SER 7 Ca 0.56 1.97 -0.13 0.00 1.31 0.00 0.00 55.95 59.67 1bbj s SER 7 Cb -0.10 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.71 1bbj s SER 7 CO 0.38 -2.29 1.21 -1.81 0.41 0.00 0.00 173.24 171.14 1bbj s ASP 8 N -3.03 3.97 0.75 2.44 1.01 -1.26 -4.56 116.67 116.00 1bbj s ASP 8 Ca 0.64 0.67 -0.15 0.00 0.71 0.00 0.00 52.55 54.42 1bbj s ASP 8 Cb -0.20 -1.05 0.05 0.00 1.01 0.00 0.00 42.92 42.74 1bbj s ASP 8 CO 0.54 -2.23 1.24 0.00 0.21 0.00 0.00 175.17 174.93 1bbj s ALA 9 N -3.62 2.03 -0.03 5.23 0.00 -1.26 -4.74 121.76 119.37 1bbj s ALA 9 Ca 0.65 0.98 0.02 0.00 0.00 0.00 0.00 51.96 53.62 1bbj s ALA 9 Cb -0.10 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1bbj s ALA 9 CO 0.51 -2.05 -0.09 -1.21 0.00 0.00 0.00 175.76 172.92 1bbj s GLU 10 N -3.87 0.94 -0.22 0.00 0.41 -1.13 -4.78 118.70 110.05 1bbj s GLU 10 Ca 0.77 -0.29 -0.12 0.00 -0.41 0.00 0.00 54.97 54.92 1bbj s GLU 10 Cb -0.32 -0.88 -0.05 0.00 -1.78 0.00 0.00 34.13 31.11 1bbj s GLU 10 CO 0.47 0.10 0.22 -1.17 -0.49 0.00 0.00 175.26 174.39 1bbj s LEU 11 N 0.23 4.15 0.04 1.80 2.96 -1.26 -1.89 118.68 124.71 1bbj s LEU 11 Ca -0.04 0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 1bbj s LEU 11 Cb -0.09 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 1bbj s LEU 11 CO 0.00 0.05 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.30 1bbj s VAL 12 N 0.95 0.72 0.28 1.68 1.01 -0.69 -4.96 120.40 119.39 1bbj s VAL 12 Ca 0.11 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 1bbj s VAL 12 Cb -0.13 -0.73 -0.10 0.00 0.00 0.00 0.00 36.38 35.42 1bbj s VAL 12 CO 0.04 -0.23 1.08 -0.54 0.00 0.00 0.00 175.10 175.46 1bbj s LYS 13 N -1.36 4.65 0.79 2.72 1.02 -1.25 -1.90 119.74 124.41 1bbj s LYS 13 Ca -0.05 1.77 -0.16 0.00 0.02 0.00 0.00 55.97 57.55 1bbj s LYS 13 Cb -0.09 -3.19 -0.06 0.00 -0.52 0.00 0.00 37.83 33.97 1bbj s LYS 13 CO 0.01 0.24 0.14 -2.30 -0.92 0.00 0.00 175.35 172.51 1bbj n PRO 14 N 1.20 0.08 -0.57 -1.68 -0.02 -1.26 -1.02 135.00 131.74 1bbj n PRO 14 Ca -0.01 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1bbj n PRO 14 Cb 0.45 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1bbj n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bbj n GLY 15 N 2.12 0.00 0.00 -1.23 0.00 0.26 -4.84 105.19 101.50 1bbj n GLY 15 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1bbj n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bbj n ALA 16 N 0.89 0.00 -3.44 4.61 0.00 -0.18 -4.41 120.51 117.98 1bbj n ALA 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1bbj n ALA 16 Cb 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.51 1bbj n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bbj s SER 17 N -1.00 -0.18 0.27 0.00 1.04 -1.26 -0.21 113.70 112.36 1bbj s SER 17 Ca 0.00 0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.88 1bbj s SER 17 Cb 0.00 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1bbj s SER 17 CO 0.00 -0.12 0.29 0.54 0.98 0.00 0.00 173.24 174.93 1bbj s VAL 18 N 0.73 4.54 -0.28 5.02 0.11 -0.32 -4.93 120.40 125.27 1bbj s VAL 18 Ca -0.05 -1.23 -0.01 0.00 -2.93 0.00 0.00 61.98 57.76 1bbj s VAL 18 Cb -0.07 -3.52 0.09 0.00 -1.53 0.00 0.00 36.38 31.35 1bbj s VAL 18 CO -0.04 -0.30 0.08 -0.75 -3.33 0.00 0.00 175.10 170.76 1bbj s LYS 19 N -3.94 0.71 -0.06 1.54 2.20 -1.26 -1.81 119.74 117.12 1bbj s LYS 19 Ca 0.36 -0.89 -0.19 0.00 -0.36 0.00 0.00 55.97 54.88 1bbj s LYS 19 Cb -0.08 -1.99 -0.05 0.00 -1.51 0.00 0.00 37.83 34.20 1bbj s LYS 19 CO 0.27 -0.89 0.54 0.42 -0.36 0.00 0.00 175.35 175.32 1bbj s ILE 20 N 1.69 5.05 0.37 5.43 1.01 0.94 -4.90 121.20 130.80 1bbj s ILE 20 Ca 0.07 1.10 -0.00 0.00 0.00 0.00 0.00 60.65 61.81 1bbj s ILE 20 Cb -0.17 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1bbj s ILE 20 CO -0.21 0.38 0.59 -0.94 0.00 0.00 0.00 174.94 174.76 1bbj s SER 21 N 0.13 6.26 -0.29 3.58 1.04 -1.26 -1.11 113.70 122.04 1bbj s SER 21 Ca 0.29 0.51 -0.03 0.00 0.48 0.00 0.00 55.95 57.19 1bbj s SER 21 Cb -0.17 -2.03 0.11 0.00 0.10 0.00 0.00 66.02 64.03 1bbj s SER 21 CO 0.14 -0.37 0.16 0.00 0.98 0.00 0.00 173.24 174.15 1bbj s LYS 23 N 2.15 3.08 0.03 0.00 2.36 0.58 -0.72 119.74 127.21 1bbj s LYS 23 Ca 0.09 -1.16 -0.30 0.00 -2.55 0.00 0.00 55.97 52.05 1bbj s LYS 23 Cb -0.16 -4.27 -0.06 0.00 -1.05 0.00 0.00 37.83 32.29 1bbj s LYS 23 CO -0.36 -1.65 1.43 0.00 1.55 0.00 0.00 175.35 176.32 1bbj s ALA 24 N 3.18 3.59 0.06 3.13 0.00 0.13 -1.35 121.76 130.50 1bbj s ALA 24 Ca 0.16 0.95 0.06 0.00 0.00 0.00 0.00 51.96 53.13 1bbj s ALA 24 Cb -0.21 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1bbj s ALA 24 CO 0.07 -0.89 -0.16 -1.12 0.00 0.00 0.00 175.76 173.66 1bbj s SER 25 N 1.82 1.95 -0.43 0.00 0.01 0.14 -4.76 113.70 112.44 1bbj s SER 25 Ca 0.65 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 57.35 1bbj s SER 25 Cb -0.33 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.78 1bbj s SER 25 CO 0.28 0.04 0.21 0.61 0.41 0.00 0.00 173.24 174.79 1bbj n GLY 26 N 1.62 0.39 3.61 3.44 0.00 -1.26 -1.38 105.19 111.61 1bbj n GLY 26 Ca -0.19 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.30 1bbj n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bbj s TYR 27 N -2.81 -0.16 -0.67 1.61 1.13 -1.26 -3.61 117.35 111.59 1bbj s TYR 27 Ca 0.11 0.02 -0.26 0.00 -1.41 0.00 0.00 57.07 55.53 1bbj s TYR 27 Cb -0.05 0.56 0.04 0.00 -1.10 0.00 0.00 41.96 41.41 1bbj s TYR 27 CO 0.13 -0.44 1.16 0.99 -2.51 0.00 0.00 175.55 174.88 1bbj s THR 28 N -2.78 3.98 0.19 -3.49 2.01 -1.26 -4.95 115.64 109.34 1bbj s THR 28 Ca 0.10 0.36 -0.16 0.00 0.31 0.00 0.00 61.69 62.30 1bbj s THR 28 Cb 0.00 -4.79 0.17 0.00 0.01 0.00 0.00 72.50 67.89 1bbj s THR 28 CO -0.04 -1.58 1.64 0.15 -0.69 0.00 0.00 174.62 174.10 1bbj h PHE 29 N 9.75 -0.36 0.00 4.92 3.57 -1.93 -3.20 116.94 129.67 1bbj h PHE 29 Ca -0.27 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1bbj h PHE 29 Cb 1.06 0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1bbj h PHE 29 CO 1.05 -0.25 0.01 -2.37 -2.23 0.00 0.00 178.31 174.52 1bbj n THR 30 N -5.39 1.78 -0.86 4.41 5.66 -1.26 -2.47 114.28 116.15 1bbj n THR 30 Ca 0.05 0.54 0.07 0.00 -3.05 0.00 0.00 64.05 61.66 1bbj n THR 30 Cb 0.29 -1.54 0.10 0.00 -1.55 0.00 0.00 70.33 67.63 1bbj n THR 30 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1bbj n ASP 31 N -1.63 2.12 -3.66 1.09 5.68 -1.21 -3.88 116.55 115.06 1bbj n ASP 31 Ca -0.00 -2.74 -0.21 0.00 -0.50 0.00 0.00 54.79 51.33 1bbj n ASP 31 Cb 0.02 -0.31 -0.18 0.00 -1.14 0.00 0.00 41.12 39.52 1bbj n ASP 31 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1bbj s HIS 32 N -2.25 0.07 0.38 2.11 3.76 -1.03 -5.06 115.29 113.28 1bbj s HIS 32 Ca 0.22 0.16 -0.24 0.00 -0.15 0.00 0.00 55.06 55.04 1bbj s HIS 32 Cb 0.19 -0.51 -0.12 0.00 1.11 0.00 0.00 32.58 33.25 1bbj s HIS 32 CO 0.02 -0.27 0.81 0.00 -0.85 0.00 0.00 174.74 174.45 1bbj n ALA 33 N 5.30 -0.70 -3.09 -1.40 0.00 -1.26 -4.29 120.51 115.07 1bbj n ALA 33 Ca -0.04 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.31 1bbj n ALA 33 Cb 0.50 -1.93 -0.14 0.00 0.00 0.00 0.00 19.45 17.88 1bbj n ALA 33 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bbj s ILE 34 N -1.29 3.31 0.25 0.00 -1.09 0.88 -3.40 121.20 119.85 1bbj s ILE 34 Ca 0.63 -0.56 0.07 0.00 -2.23 0.00 0.00 60.65 58.55 1bbj s ILE 34 Cb -0.62 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 1bbj s ILE 34 CO 0.58 0.51 0.17 -1.00 -1.23 0.00 0.00 174.94 173.97 1bbj s HIS 35 N 0.46 3.07 0.03 3.97 3.76 -1.13 -1.14 115.29 124.31 1bbj s HIS 35 Ca -0.07 -0.12 0.07 0.00 -0.15 0.00 0.00 55.06 54.79 1bbj s HIS 35 Cb -0.15 -1.38 -0.02 0.00 1.11 0.00 0.00 32.58 32.13 1bbj s HIS 35 CO 0.04 0.53 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.67 1bbj s TRP 36 N -2.13 1.83 0.04 1.40 0.52 -0.17 -0.40 118.94 120.03 1bbj s TRP 36 Ca 0.33 -0.37 -0.03 0.00 0.02 0.00 0.00 56.10 56.05 1bbj s TRP 36 Cb -0.08 -1.11 -0.02 0.00 -1.15 0.00 0.00 33.47 31.11 1bbj s TRP 36 CO 0.24 0.06 0.03 0.00 0.02 0.00 0.00 176.95 177.31 1bbj s ALA 37 N -0.73 0.18 -0.12 0.98 0.00 -0.08 -0.23 121.76 121.77 1bbj s ALA 37 Ca 0.08 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 1bbj s ALA 37 Cb -0.09 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.32 1bbj s ALA 37 CO 0.01 -0.33 -0.07 0.21 0.00 0.00 0.00 175.76 175.58 1bbj s LYS 38 N -3.03 1.52 -0.18 0.00 2.20 -0.49 -0.45 119.74 119.31 1bbj s LYS 38 Ca -0.01 -0.27 -0.02 0.00 -0.36 0.00 0.00 55.97 55.31 1bbj s LYS 38 Cb 0.01 -1.61 -0.01 0.00 -1.51 0.00 0.00 37.83 34.71 1bbj s LYS 38 CO -0.07 -0.28 -0.08 -1.14 -0.36 0.00 0.00 175.35 173.43 1bbj s GLN 39 N 1.70 3.38 0.55 4.03 0.74 -0.06 -1.38 119.66 128.62 1bbj s GLN 39 Ca 0.05 -0.65 -0.09 0.00 0.05 0.00 0.00 55.36 54.72 1bbj s GLN 39 Cb -0.13 -2.86 0.13 0.00 1.10 0.00 0.00 33.01 31.26 1bbj s GLN 39 CO -0.08 -0.03 0.63 1.63 -0.55 0.00 0.00 175.29 176.88 1bbj n LYS 40 N 4.27 -1.23 0.00 1.67 5.02 -1.25 -0.05 118.16 126.60 1bbj n LYS 40 Ca -0.18 -0.98 0.00 0.00 -2.02 0.00 0.00 58.31 55.13 1bbj n LYS 40 Cb 0.51 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 1bbj n LYS 40 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1bbj n PRO 41 N -2.73 0.00 -2.90 1.97 -0.02 -1.26 -3.98 135.00 126.08 1bbj n PRO 41 Ca 0.08 0.49 -0.27 0.00 -2.02 0.00 0.00 63.50 61.78 1bbj n PRO 41 Cb 0.29 -1.21 -0.04 0.00 -0.02 0.00 0.00 33.50 32.53 1bbj n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1bbj n GLU 42 N -1.52 3.29 -2.81 -0.52 1.02 -1.26 -5.01 120.64 113.82 1bbj n GLU 42 Ca 0.00 -4.84 -0.08 0.00 -0.02 0.00 0.00 57.16 52.23 1bbj n GLU 42 Cb 0.00 -2.24 -0.02 0.00 -0.02 0.00 0.00 31.44 29.15 1bbj n GLU 42 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1bbj n GLN 43 N -0.27 0.27 -1.50 3.49 6.02 -1.26 -5.16 117.38 118.98 1bbj n GLN 43 Ca 0.32 -1.38 -0.29 0.00 -0.01 0.00 0.00 57.00 55.64 1bbj n GLN 43 Cb 0.41 1.25 0.13 0.00 1.02 0.00 0.00 30.24 33.05 1bbj n GLN 43 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1bbj s GLY 44 N -2.02 1.58 0.16 1.08 0.00 -1.26 -4.63 107.32 102.23 1bbj s GLY 44 Ca 0.15 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.48 1bbj s GLY 44 CO 0.11 0.10 0.16 1.08 0.00 0.00 0.00 173.10 174.55 1bbj s LEU 45 N -6.03 3.90 0.18 0.66 1.02 -1.26 -3.83 118.68 113.32 1bbj s LEU 45 Ca 0.63 -0.07 0.04 0.00 0.02 0.00 0.00 54.13 54.76 1bbj s LEU 45 Cb -0.15 -2.51 -0.05 0.00 0.02 0.00 0.00 46.19 43.50 1bbj s LEU 45 CO 0.54 0.07 -0.06 -1.83 0.02 0.00 0.00 176.35 175.09 1bbj s GLU 46 N -3.09 1.16 -0.15 1.70 -1.05 -0.48 -4.96 118.70 111.84 1bbj s GLU 46 Ca 0.32 -1.54 -0.17 0.00 -0.15 0.00 0.00 54.97 53.43 1bbj s GLU 46 Cb -0.10 -0.60 -0.04 0.00 -0.44 0.00 0.00 34.13 32.95 1bbj s GLU 46 CO 0.24 -0.00 0.42 -0.46 0.95 0.00 0.00 175.26 176.41 1bbj s TRP 47 N -3.38 3.47 -0.13 4.83 -0.00 -1.26 -1.39 118.94 121.08 1bbj s TRP 47 Ca 0.21 0.77 -0.08 0.00 -0.00 0.00 0.00 56.10 57.01 1bbj s TRP 47 Cb 0.04 -2.50 -0.05 0.00 -0.00 0.00 0.00 33.47 30.95 1bbj s TRP 47 CO 0.04 0.14 0.04 0.82 -0.00 0.00 0.00 176.95 177.99 1bbj h ILE 48 N 4.78 0.26 0.00 5.86 2.04 -0.93 -3.40 117.51 126.11 1bbj h ILE 48 Ca -0.40 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.23 1bbj h ILE 48 Cb 1.17 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1bbj h ILE 48 CO 0.75 0.09 0.00 0.61 0.00 0.00 0.00 178.15 179.60 1bbj n GLY 49 N 1.68 -0.99 3.10 5.37 0.00 -1.22 -0.63 105.19 112.50 1bbj n GLY 49 Ca -0.06 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1bbj n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bbj s TYR 50 N -3.00 0.22 -0.14 1.61 1.13 -0.67 -1.00 117.35 115.51 1bbj s TYR 50 Ca 0.00 -0.52 -0.01 0.00 -1.41 0.00 0.00 57.07 55.13 1bbj s TYR 50 Cb 0.00 -0.16 0.04 0.00 -1.10 0.00 0.00 41.96 40.74 1bbj s TYR 50 CO 0.00 -0.34 -0.03 -1.50 -2.51 0.00 0.00 175.55 171.18 1bbj s ILE 51 N -2.47 0.79 -0.35 -3.49 -1.16 -0.29 -2.53 121.20 111.71 1bbj s ILE 51 Ca -0.06 -0.35 -0.23 0.00 -0.51 0.00 0.00 60.65 59.49 1bbj s ILE 51 Cb -0.02 -0.99 0.01 0.00 0.61 0.00 0.00 42.46 42.06 1bbj s ILE 51 CO -0.04 0.14 0.79 -0.55 -2.81 0.00 0.00 174.94 172.48 1bbj s SER 52 N 1.78 6.60 1.12 4.50 0.15 -0.79 -0.08 113.70 126.97 1bbj s SER 52 Ca 0.02 0.47 -0.12 0.00 0.70 0.00 0.00 55.95 57.02 1bbj s SER 52 Cb -0.14 -2.40 0.26 0.00 -1.71 0.00 0.00 66.02 62.02 1bbj s SER 52 CO -0.07 -0.70 1.05 -2.16 1.20 0.00 0.00 173.24 172.56 1bbj s PRO 53 N 3.08 -0.58 3.94 5.44 0.04 -1.26 -3.73 135.00 141.93 1bbj s PRO 53 Ca 0.32 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1bbj s PRO 53 Cb -0.13 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1bbj s PRO 53 CO 0.16 -3.56 0.00 0.41 0.04 0.00 0.00 177.00 174.05 1bbj n GLY 54 N 0.80 0.99 3.56 0.56 0.00 -1.25 -4.51 105.19 105.34 1bbj n GLY 54 Ca 0.05 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 1bbj n GLY 54 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bbj s ASN 55 N -4.00 4.95 -0.02 1.61 -0.87 -1.26 -4.78 114.94 110.57 1bbj s ASN 55 Ca 0.00 1.10 -0.25 0.00 -1.57 0.00 0.00 52.86 52.14 1bbj s ASN 55 Cb 0.00 -2.51 -0.31 0.00 -0.02 0.00 0.00 41.25 38.41 1bbj s ASN 55 CO 0.00 -2.48 1.41 0.47 -2.57 0.00 0.00 177.10 173.93 1bbj n ASP 56 N 13.87 0.65 -4.69 -1.22 9.92 -1.26 -4.72 116.55 129.10 1bbj n ASP 56 Ca 0.31 -2.15 -0.38 0.00 -0.53 0.00 0.00 54.79 52.03 1bbj n ASP 56 Cb 0.52 -0.44 -0.07 0.00 -0.64 0.00 0.00 41.12 40.49 1bbj n ASP 56 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1bbj s ASP 57 N 6.31 6.52 0.04 -2.24 2.15 -1.24 -4.98 116.67 123.23 1bbj s ASP 57 Ca 0.57 0.61 0.04 0.00 0.43 0.00 0.00 52.55 54.20 1bbj s ASP 57 Cb 0.12 -2.25 -0.02 0.00 -0.30 0.00 0.00 42.92 40.47 1bbj s ASP 57 CO 0.29 -0.06 -0.12 0.27 -0.17 0.00 0.00 175.17 175.38 1bbj s ILE 58 N 1.11 0.90 -0.04 4.11 -4.36 -1.26 -1.89 121.20 119.76 1bbj s ILE 58 Ca 0.21 -1.03 -0.08 0.00 -0.26 0.00 0.00 60.65 59.50 1bbj s ILE 58 Cb -0.15 -0.86 0.01 0.00 1.25 0.00 0.00 42.46 42.72 1bbj s ILE 58 CO 0.08 -0.14 0.19 -0.75 0.24 0.00 0.00 174.94 174.56 1bbj s LYS 59 N -1.31 0.35 0.11 0.37 2.47 -1.05 -4.99 119.74 115.69 1bbj s LYS 59 Ca -0.02 0.01 0.10 0.00 -1.56 0.00 0.00 55.97 54.50 1bbj s LYS 59 Cb -0.08 0.16 -0.04 0.00 -1.46 0.00 0.00 37.83 36.41 1bbj s LYS 59 CO 0.01 -0.07 -0.24 0.71 0.16 0.00 0.00 175.35 175.92 1bbj s TYR 60 N -0.51 2.08 0.12 4.03 1.51 -1.26 -1.66 117.35 121.65 1bbj s TYR 60 Ca -0.06 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.29 1bbj s TYR 60 Cb -0.04 -1.14 -0.09 0.00 -0.11 0.00 0.00 41.96 40.59 1bbj s TYR 60 CO 0.01 0.27 1.50 1.21 -1.11 0.00 0.00 175.55 177.43 1bbj s ASN 61 N -1.96 6.70 0.24 2.29 3.84 0.19 -4.90 114.94 121.35 1bbj s ASN 61 Ca 0.11 2.44 -0.11 0.00 0.21 0.00 0.00 52.86 55.50 1bbj s ASN 61 Cb -0.10 -2.58 0.34 0.00 -0.55 0.00 0.00 41.25 38.36 1bbj s ASN 61 CO 0.05 -0.76 1.59 -0.08 -2.79 0.00 0.00 177.10 175.11 1bbj h GLU 62 N 7.12 -0.01 0.00 0.43 4.81 -1.93 -0.47 114.58 124.54 1bbj h GLU 62 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1bbj h GLU 62 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1bbj h GLU 62 CO 0.90 -0.00 0.00 1.17 -0.73 0.00 0.00 179.01 180.34 1bbj n LYS 63 N -5.53 0.00 0.00 1.92 4.81 -1.26 -2.01 118.16 116.10 1bbj n LYS 63 Ca 0.12 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1bbj n LYS 63 Cb 0.41 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.96 1bbj n LYS 63 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1bbj n PHE 64 N -1.26 0.00 -1.89 5.64 3.01 -0.20 -4.86 117.46 117.90 1bbj n PHE 64 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1bbj n PHE 64 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 1bbj n PHE 64 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1bbj s LYS 65 N -0.22 4.19 0.00 -1.08 -0.14 -0.85 -1.94 119.74 119.69 1bbj s LYS 65 Ca 0.00 2.40 0.00 0.00 -1.36 0.00 0.00 55.97 57.01 1bbj s LYS 65 Cb 0.00 -3.42 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 1bbj s LYS 65 CO 0.00 -0.71 0.00 0.41 -0.76 0.00 0.00 175.35 174.29 1bbj n GLY 66 N 3.95 3.19 0.09 -3.33 0.00 -1.26 -4.79 105.19 103.03 1bbj n GLY 66 Ca 0.15 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 1bbj n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bbj n LYS 67 N 0.00 0.65 -4.28 1.61 3.00 -0.82 -4.67 118.16 113.65 1bbj n LYS 67 Ca 0.00 0.28 -0.25 0.00 -0.00 0.00 0.00 58.31 58.34 1bbj n LYS 67 Cb 0.00 -1.77 -0.08 0.00 0.00 0.00 0.00 35.03 33.18 1bbj n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bbj s ALA 68 N -2.59 3.09 -0.18 3.14 0.00 -0.90 -0.88 121.76 123.43 1bbj s ALA 68 Ca -0.07 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 50.32 1bbj s ALA 68 Cb 0.08 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.46 1bbj s ALA 68 CO 0.82 0.39 0.07 0.99 0.00 0.00 0.00 175.76 178.03 1bbj s THR 69 N -1.97 0.15 0.33 0.00 2.01 -0.59 -4.80 115.64 110.76 1bbj s THR 69 Ca 0.28 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 61.79 1bbj s THR 69 Cb -0.08 -0.76 -0.09 0.00 0.01 0.00 0.00 72.50 71.58 1bbj s THR 69 CO 0.18 -0.27 0.76 -0.76 -0.69 0.00 0.00 174.62 173.85 1bbj s LEU 70 N 2.03 4.06 0.02 4.42 1.02 -1.26 -2.73 118.68 126.25 1bbj s LEU 70 Ca 0.01 1.34 -0.27 0.00 0.02 0.00 0.00 54.13 55.23 1bbj s LEU 70 Cb -0.16 -4.11 0.07 0.00 0.02 0.00 0.00 46.19 42.00 1bbj s LEU 70 CO -0.09 -0.21 0.62 -0.89 0.02 0.00 0.00 176.35 175.80 1bbj s THR 71 N -1.98 0.01 0.05 5.49 2.01 -0.82 -5.00 115.64 115.40 1bbj s THR 71 Ca 0.54 -0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.39 1bbj s THR 71 Cb -0.10 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.43 1bbj s THR 71 CO 0.17 -0.03 0.23 0.00 -0.69 0.00 0.00 174.62 174.30 1bbj s ALA 72 N -2.11 -0.44 -0.24 7.40 0.00 -1.26 -0.41 121.76 124.70 1bbj s ALA 72 Ca -0.07 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1bbj s ALA 72 Cb -0.00 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.50 1bbj s ALA 72 CO 0.02 -0.40 -0.07 0.34 0.00 0.00 0.00 175.76 175.65 1bbj s ASP 73 N -2.18 4.05 0.56 0.00 2.15 -0.37 -5.00 116.67 115.89 1bbj s ASP 73 Ca -0.04 -1.26 0.34 0.00 0.43 0.00 0.00 52.55 52.02 1bbj s ASP 73 Cb -0.00 -1.30 1.84 0.00 -0.30 0.00 0.00 42.92 43.16 1bbj s ASP 73 CO -0.05 -0.22 2.03 0.11 -0.17 0.00 0.00 175.17 176.87 1bbj h LYS 74 N 7.89 0.00 0.00 4.34 1.57 -1.99 -3.03 116.57 125.36 1bbj h LYS 74 Ca -0.18 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.39 1bbj h LYS 74 Cb 1.06 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 1bbj h LYS 74 CO 0.43 0.00 -2.07 -1.13 -0.57 0.00 0.00 179.45 176.11 1bbj n SER 75 N -2.76 0.75 -0.69 0.86 3.41 -1.26 -4.41 113.62 109.53 1bbj n SER 75 Ca -0.02 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.65 1bbj n SER 75 Cb 0.14 1.23 0.18 0.00 -0.26 0.00 0.00 64.21 65.50 1bbj n SER 75 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1bbj n SER 76 N -2.48 3.18 -3.78 4.04 3.41 -1.20 -4.99 113.62 111.80 1bbj n SER 76 Ca -0.20 -2.33 -0.25 0.00 -0.26 0.00 0.00 58.87 55.83 1bbj n SER 76 Cb 0.87 -0.32 0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1bbj n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bbj n SER 77 N 0.13 -1.93 -4.04 4.04 7.64 -1.15 -4.65 113.62 113.66 1bbj n SER 77 Ca 0.14 -0.94 -0.31 0.00 1.01 0.00 0.00 58.87 58.78 1bbj n SER 77 Cb 0.57 -3.53 -0.16 0.00 -1.01 0.00 0.00 64.21 60.07 1bbj n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1bbj s THR 78 N -3.73 1.73 0.47 0.44 2.01 -1.19 0.20 115.64 115.57 1bbj s THR 78 Ca 0.12 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 1bbj s THR 78 Cb -0.04 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 1bbj s THR 78 CO 0.85 0.40 0.72 0.00 -0.69 0.00 0.00 174.62 175.91 1bbj s ALA 79 N 1.41 3.61 0.02 7.40 0.00 0.10 -1.23 121.76 133.06 1bbj s ALA 79 Ca 0.03 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 1bbj s ALA 79 Cb -0.14 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 1bbj s ALA 79 CO -0.11 -0.43 0.10 0.71 0.00 0.00 0.00 175.76 176.03 1bbj s TYR 80 N -2.65 0.14 -0.00 0.00 2.02 0.46 -0.74 117.35 116.58 1bbj s TYR 80 Ca 0.49 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 56.86 1bbj s TYR 80 Cb -0.10 -0.11 -0.01 0.00 -0.40 0.00 0.00 41.96 41.34 1bbj s TYR 80 CO 0.40 -0.31 -0.09 1.41 -1.57 0.00 0.00 175.55 175.39 1bbj s MET 81 N -1.96 0.72 -0.04 -0.62 -2.45 -0.27 -1.94 119.30 112.75 1bbj s MET 81 Ca -0.10 -0.37 0.04 0.00 -1.25 0.00 0.00 55.69 54.00 1bbj s MET 81 Cb -0.05 -0.69 -0.00 0.00 1.25 0.00 0.00 34.83 35.34 1bbj s MET 81 CO -0.02 0.19 -0.16 -1.14 1.05 0.00 0.00 175.02 174.94 1bbj s GLN 82 N -0.36 1.57 -0.18 4.11 0.74 -1.10 -0.04 119.66 124.40 1bbj s GLN 82 Ca 0.03 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 54.89 1bbj s GLN 82 Cb -0.04 -1.40 0.02 0.00 1.10 0.00 0.00 33.01 32.69 1bbj s GLN 82 CO -0.00 0.24 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.27 1bbj s LEU 83 N -0.01 2.14 0.15 3.68 1.43 -0.75 -1.54 118.68 123.78 1bbj s LEU 83 Ca -0.02 -0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 52.39 1bbj s LEU 83 Cb -0.10 -1.48 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 1bbj s LEU 83 CO 0.01 0.01 0.39 0.20 0.23 0.00 0.00 176.35 177.19 1bbj s ASN 84 N 1.24 6.50 -1.35 2.29 0.01 -0.06 -1.18 114.94 122.39 1bbj s ASN 84 Ca 0.04 0.62 -0.15 0.00 -0.71 0.00 0.00 52.86 52.65 1bbj s ASN 84 Cb -0.13 -2.10 0.02 0.00 0.41 0.00 0.00 41.25 39.44 1bbj s ASN 84 CO -0.12 0.04 0.42 -1.54 -1.51 0.00 0.00 177.10 174.40 1bbj n SER 85 N 0.06 -1.90 -4.62 -1.22 3.41 -0.70 -4.81 113.62 103.84 1bbj n SER 85 Ca -0.02 -1.20 -0.41 0.00 -0.26 0.00 0.00 58.87 56.97 1bbj n SER 85 Cb 0.52 -2.14 0.01 0.00 -0.26 0.00 0.00 64.21 62.34 1bbj n SER 85 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bbj n LEU 86 N -4.67 2.79 -3.98 1.04 4.77 0.71 -4.41 117.00 113.26 1bbj n LEU 86 Ca -0.22 1.05 -0.10 0.00 -0.03 0.00 0.00 56.01 56.71 1bbj n LEU 86 Cb 0.63 -1.37 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 1bbj n LEU 86 CO 0.77 -1.36 0.03 0.28 -1.33 0.00 0.00 177.39 175.78 1bbj s THR 87 N -1.26 0.04 0.34 -5.08 -1.32 -1.26 0.92 115.64 108.03 1bbj s THR 87 Ca 0.63 -1.41 0.10 0.00 -1.21 0.00 0.00 61.69 59.80 1bbj s THR 87 Cb -0.55 -1.97 0.33 0.00 -1.51 0.00 0.00 72.50 68.79 1bbj s THR 87 CO 0.57 -0.19 1.79 0.28 -2.21 0.00 0.00 174.62 174.87 1bbj h SER 88 N 2.46 0.65 -0.27 8.08 0.02 -1.95 0.63 113.55 123.17 1bbj h SER 88 Ca -0.30 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 1bbj h SER 88 Cb 1.24 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 1bbj h SER 88 CO 0.45 0.22 0.05 -0.08 -1.14 0.00 0.00 176.83 176.33 1bbj h GLU 89 N 0.63 0.55 0.00 3.45 4.57 -1.96 -0.97 114.58 120.85 1bbj h GLU 89 Ca 0.56 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 1bbj h GLU 89 Cb 1.05 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1bbj h GLU 89 CO -0.32 0.54 0.00 -0.25 -1.18 0.00 0.00 179.01 177.79 1bbj n ASP 90 N -4.31 0.00 -4.65 1.04 8.00 0.22 -4.67 116.55 112.18 1bbj n ASP 90 Ca 0.02 -0.29 -0.43 0.00 0.71 0.00 0.00 54.79 54.80 1bbj n ASP 90 Cb 0.22 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 1bbj n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1bbj s SER 91 N -2.00 6.90 0.01 -2.24 0.01 -0.37 -4.84 113.70 111.17 1bbj s SER 91 Ca 0.14 1.42 -0.27 0.00 1.31 0.00 0.00 55.95 58.55 1bbj s SER 91 Cb 0.06 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.85 1bbj s SER 91 CO 0.11 -0.84 1.25 0.00 0.41 0.00 0.00 173.24 174.16 1bbj s ALA 92 N 3.69 -2.35 -0.13 1.44 0.00 -1.09 -4.77 121.76 118.56 1bbj s ALA 92 Ca 0.52 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 52.34 1bbj s ALA 92 Cb -0.18 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1bbj s ALA 92 CO 0.15 -1.14 0.17 0.08 0.00 0.00 0.00 175.76 175.02 1bbj s VAL 93 N -2.03 5.43 -0.08 0.00 1.01 0.93 -1.30 120.40 124.36 1bbj s VAL 93 Ca 0.29 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.58 1bbj s VAL 93 Cb -0.01 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1bbj s VAL 93 CO 0.00 0.56 -0.13 -0.31 0.00 0.00 0.00 175.10 175.22 1bbj s TYR 94 N -0.62 2.76 0.04 5.22 2.02 -0.60 -0.89 117.35 125.28 1bbj s TYR 94 Ca 0.14 -0.32 0.07 0.00 -0.37 0.00 0.00 57.07 56.59 1bbj s TYR 94 Cb -0.12 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 1bbj s TYR 94 CO 0.04 0.05 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.79 1bbj s PHE 95 N -0.33 1.89 0.46 2.71 0.08 0.40 -1.86 117.98 121.34 1bbj s PHE 95 Ca 0.03 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.77 1bbj s PHE 95 Cb -0.13 -1.14 -0.01 0.00 -0.57 0.00 0.00 43.02 41.18 1bbj s PHE 95 CO 0.02 0.08 0.34 0.00 -0.10 0.00 0.00 175.22 175.56 1bbj s LYS 97 N -4.13 1.29 0.02 0.00 2.20 0.46 -2.01 119.74 117.57 1bbj s LYS 97 Ca 0.41 -1.04 0.23 0.00 -0.36 0.00 0.00 55.97 55.20 1bbj s LYS 97 Cb -0.01 0.45 -0.01 0.00 -1.51 0.00 0.00 37.83 36.75 1bbj s LYS 97 CO 0.24 -0.51 0.99 -2.13 -0.36 0.00 0.00 175.35 173.58 1bbj n ARG 98 N -0.28 0.20 0.00 4.03 0.63 -1.16 -2.83 116.66 117.25 1bbj n ARG 98 Ca -0.08 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 1bbj n ARG 98 Cb 0.63 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 31.99 1bbj n ARG 98 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1bbj n SER 99 N -1.79 0.62 -0.06 6.15 2.88 -1.22 -4.48 113.62 115.73 1bbj n SER 99 Ca 0.02 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.55 1bbj n SER 99 Cb 0.40 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.86 1bbj n SER 99 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1bbj h TYR 100 N 0.00 0.00 -3.56 0.66 0.05 -1.97 -3.42 116.97 108.72 1bbj h TYR 100 Ca 0.00 0.00 -0.72 0.00 0.05 0.00 0.00 58.73 58.06 1bbj h TYR 100 Cb 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 36.73 37.42 1bbj h TYR 100 CO 0.00 0.04 -0.29 0.71 -1.05 0.00 0.00 178.16 177.58 1bbj s TYR 101 N -1.72 3.50 0.18 4.88 2.02 -1.26 -5.02 117.35 119.93 1bbj s TYR 101 Ca -0.04 -2.43 0.03 0.00 -0.37 0.00 0.00 57.07 54.27 1bbj s TYR 101 Cb 0.00 -3.37 -0.01 0.00 -0.40 0.00 0.00 41.96 38.18 1bbj s TYR 101 CO 0.07 -0.90 0.18 0.41 -1.57 0.00 0.00 175.55 173.73 1bbj n GLY 102 N 3.86 3.25 3.70 0.71 0.00 -1.26 -5.01 105.19 110.44 1bbj n GLY 102 Ca 0.06 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1bbj n GLY 102 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bbj s HIS 103 N -2.95 3.45 0.42 1.61 2.46 -1.26 -4.75 115.29 114.28 1bbj s HIS 103 Ca 0.21 1.46 -0.11 0.00 0.47 0.00 0.00 55.06 57.09 1bbj s HIS 103 Cb 0.01 -3.28 -0.06 0.00 -0.13 0.00 0.00 32.58 29.11 1bbj s HIS 103 CO 0.15 -0.68 0.80 -1.58 -2.47 0.00 0.00 174.74 170.95 1bbj s TRP 104 N 1.57 3.47 0.66 3.88 0.52 -1.26 -2.98 118.94 124.80 1bbj s TRP 104 Ca 0.54 1.09 -0.03 0.00 0.02 0.00 0.00 56.10 57.72 1bbj s TRP 104 Cb -0.23 -2.48 0.08 0.00 -1.15 0.00 0.00 33.47 29.68 1bbj s TRP 104 CO 0.24 -0.15 0.93 0.20 0.02 0.00 0.00 176.95 178.19 1bbj s GLY 105 N -3.20 1.77 0.56 0.98 0.00 -0.85 -4.84 107.32 101.74 1bbj s GLY 105 Ca 0.52 -1.31 0.28 0.00 0.00 0.00 0.00 44.72 44.20 1bbj s GLY 105 CO 0.32 -0.89 2.19 0.06 0.00 0.00 0.00 173.10 174.78 1bbj h GLN 106 N -0.38 0.00 0.00 2.90 3.07 -1.91 -3.44 115.11 115.35 1bbj h GLN 106 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.33 1bbj h GLN 106 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 1bbj h GLN 106 CO 0.50 0.04 0.00 0.41 0.09 0.00 0.00 178.83 179.88 1bbj n GLY 107 N -1.15 0.53 3.30 0.06 0.00 -1.26 -5.07 105.19 101.60 1bbj n GLY 107 Ca -0.03 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 1bbj n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bbj s THR 108 N -0.43 2.39 -0.36 2.61 2.01 -0.78 -4.92 115.64 116.17 1bbj s THR 108 Ca 0.00 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 60.95 1bbj s THR 108 Cb 0.00 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.58 1bbj s THR 108 CO 0.00 0.56 0.24 -0.89 -0.69 0.00 0.00 174.62 173.83 1bbj s THR 109 N 0.08 5.04 -0.31 -0.82 2.01 -1.26 -1.56 115.64 118.83 1bbj s THR 109 Ca -0.09 -0.47 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 1bbj s THR 109 Cb -0.15 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1bbj s THR 109 CO 0.06 -0.11 0.38 -0.22 -0.69 0.00 0.00 174.62 174.04 1bbj s LEU 110 N 1.67 4.22 -0.19 4.42 2.96 -0.42 -2.85 118.68 128.49 1bbj s LEU 110 Ca 0.05 0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.93 1bbj s LEU 110 Cb -0.18 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 1bbj s LEU 110 CO 0.09 -0.28 0.07 -0.89 -1.32 0.00 0.00 176.35 174.02 1bbj s THR 111 N 2.09 4.82 -0.35 3.68 2.01 -0.79 -2.66 115.64 124.43 1bbj s THR 111 Ca 0.14 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 1bbj s THR 111 Cb -0.16 -3.18 0.07 0.00 0.01 0.00 0.00 72.50 69.24 1bbj s THR 111 CO 0.11 0.45 0.11 -0.69 -0.69 0.00 0.00 174.62 173.91 1bbj s VAL 112 N 0.45 3.41 0.17 3.82 1.01 -1.26 -1.70 120.40 126.30 1bbj s VAL 112 Ca 0.04 -1.49 -0.13 0.00 0.00 0.00 0.00 61.98 60.39 1bbj s VAL 112 Cb -0.12 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1bbj s VAL 112 CO 0.00 -0.32 0.37 -0.55 0.00 0.00 0.00 175.10 174.61 1bbj s SER 113 N 1.54 -0.08 0.06 3.32 0.15 -0.80 -4.50 113.70 113.39 1bbj s SER 113 Ca 0.00 -0.68 0.06 0.00 0.70 0.00 0.00 55.95 56.04 1bbj s SER 113 Cb -0.21 0.49 -0.23 0.00 -1.71 0.00 0.00 66.02 64.36 1bbj s SER 113 CO -0.01 -0.94 1.07 0.77 1.20 0.00 0.00 173.24 175.33 1bbj h SER 114 N 2.42 0.07 -3.60 5.45 4.64 -1.96 -3.34 113.55 117.23 1bbj h SER 114 Ca -0.31 -0.10 -0.46 0.00 -0.47 0.00 0.00 61.79 60.45 1bbj h SER 114 Cb 1.24 -0.02 0.20 0.00 -0.31 0.00 0.00 62.40 63.51 1bbj h SER 114 CO 0.45 1.08 0.09 0.00 -0.87 0.00 0.00 176.83 177.57 1bbj s ALA 115 N -2.67 0.22 0.22 5.18 0.00 -1.26 -5.05 121.76 118.40 1bbj s ALA 115 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1bbj s ALA 115 Cb 0.09 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1bbj s ALA 115 CO 0.83 -3.43 0.41 -1.12 0.00 0.00 0.00 175.76 172.45 1bbj s SER 116 N -2.67 6.37 -0.00 0.00 0.01 -1.26 -5.07 113.70 111.08 1bbj s SER 116 Ca 0.67 0.37 -0.30 0.00 1.31 0.00 0.00 55.95 58.00 1bbj s SER 116 Cb -0.24 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 1bbj s SER 116 CO 0.62 -0.08 1.27 -0.89 0.41 0.00 0.00 173.24 174.57 1bbj s THR 117 N -1.94 3.99 -0.11 1.44 2.01 -1.26 -4.85 115.64 114.92 1bbj s THR 117 Ca 0.38 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.77 1bbj s THR 117 Cb -0.11 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.54 1bbj s THR 117 CO 0.30 0.03 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.59 1bbj s LYS 118 N 1.92 2.05 0.71 4.92 1.02 -0.42 -4.95 119.74 124.99 1bbj s LYS 118 Ca 0.59 -0.49 -0.11 0.00 0.02 0.00 0.00 55.97 55.99 1bbj s LYS 118 Cb -0.28 -1.83 0.01 0.00 -0.52 0.00 0.00 37.83 35.21 1bbj s LYS 118 CO 0.25 -0.13 1.07 0.20 -0.92 0.00 0.00 175.35 175.83 1bbj s GLY 119 N 1.20 1.65 0.52 -3.33 0.00 -1.26 -0.07 107.32 106.02 1bbj s GLY 119 Ca -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 44.72 44.53 1bbj s GLY 119 CO -0.04 0.22 0.81 -4.14 0.00 0.00 0.00 173.10 169.94 1bbj s PRO 120 N -5.18 3.15 -0.22 2.90 0.02 -1.26 -4.61 135.00 129.80 1bbj s PRO 120 Ca 0.58 -0.06 -0.08 0.00 0.02 0.00 0.00 61.00 61.46 1bbj s PRO 120 Cb -0.13 -2.38 -0.04 0.00 0.02 0.00 0.00 34.50 31.98 1bbj s PRO 120 CO 0.54 -0.43 0.09 -1.12 -0.33 0.00 0.00 177.00 175.75 1bbj s SER 121 N -4.22 5.58 -0.48 2.53 0.01 -0.38 -4.96 113.70 111.77 1bbj s SER 121 Ca 0.50 -0.02 -0.16 0.00 1.31 0.00 0.00 55.95 57.58 1bbj s SER 121 Cb -0.10 -1.99 0.07 0.00 0.21 0.00 0.00 66.02 64.21 1bbj s SER 121 CO 0.43 0.06 0.45 -0.69 0.41 0.00 0.00 173.24 173.91 1bbj s VAL 122 N 1.03 5.15 0.19 3.43 1.01 -1.26 -1.42 120.40 128.54 1bbj s VAL 122 Ca 0.05 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1bbj s VAL 122 Cb -0.14 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 1bbj s VAL 122 CO 0.03 -0.64 0.47 -0.36 0.00 0.00 0.00 175.10 174.60 1bbj s PHE 123 N 1.86 3.45 0.16 5.22 0.08 0.12 -4.86 117.98 124.01 1bbj s PHE 123 Ca 0.06 0.74 -0.18 0.00 0.12 0.00 0.00 56.93 57.67 1bbj s PHE 123 Cb -0.23 -2.15 -0.07 0.00 -0.57 0.00 0.00 43.02 39.99 1bbj s PHE 123 CO 0.08 0.34 0.63 -1.25 -0.10 0.00 0.00 175.22 174.92 1bbj s PRO 124 N -2.73 4.16 -0.24 0.24 0.04 -1.26 0.86 135.00 136.06 1bbj s PRO 124 Ca 0.44 0.72 0.02 0.00 0.04 0.00 0.00 61.00 62.23 1bbj s PRO 124 Cb -0.12 -2.99 0.05 0.00 0.04 0.00 0.00 34.50 31.49 1bbj s PRO 124 CO 0.23 0.48 -0.11 -0.51 0.04 0.00 0.00 177.00 177.12 1bbj s LEU 125 N -1.75 3.12 -0.08 -3.56 1.02 -0.80 -4.88 118.68 111.74 1bbj s LEU 125 Ca 0.38 -1.25 -0.08 0.00 0.02 0.00 0.00 54.13 53.20 1bbj s LEU 125 Cb -0.17 -1.48 0.02 0.00 0.02 0.00 0.00 46.19 44.58 1bbj s LEU 125 CO 0.20 -0.17 0.23 0.00 0.02 0.00 0.00 176.35 176.63 1bbj s ALA 126 N 1.17 -0.56 0.85 4.21 0.00 -1.26 -0.95 121.76 125.22 1bbj s ALA 126 Ca -0.06 0.59 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 1bbj s ALA 126 Cb -0.19 -0.33 0.10 0.00 0.00 0.00 0.00 23.12 22.70 1bbj s ALA 126 CO -0.06 -0.12 1.11 -2.14 0.00 0.00 0.00 175.76 174.55 1bbj s PRO 127 N -0.01 1.67 0.46 0.00 0.02 -1.26 -4.95 135.00 130.93 1bbj s PRO 127 Ca -0.01 0.52 0.25 0.00 0.02 0.00 0.00 61.00 61.78 1bbj s PRO 127 Cb -0.02 -1.88 0.56 0.00 0.02 0.00 0.00 34.50 33.18 1bbj s PRO 127 CO 0.01 -1.88 1.69 0.00 -0.33 0.00 0.00 177.00 176.48 1bbj s SER 129 N -6.10 -0.25 1.02 0.00 1.04 -1.26 -5.19 113.70 102.96 1bbj s SER 129 Ca 0.06 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.16 1bbj s SER 129 Cb 0.06 0.39 0.22 0.00 0.10 0.00 0.00 66.02 66.79 1bbj s SER 129 CO 0.64 -0.67 1.28 0.00 0.98 0.00 0.00 173.24 175.47 1bbj s ARG 130 N -3.07 0.20 -1.58 4.02 1.70 -1.26 -4.22 118.95 114.73 1bbj s ARG 130 Ca 0.09 -0.34 -0.15 0.00 -0.47 0.00 0.00 55.73 54.86 1bbj s ARG 130 Cb -0.01 -1.79 0.11 0.00 -0.57 0.00 0.00 34.95 32.69 1bbj s ARG 130 CO -0.04 -2.72 0.93 0.43 -1.08 0.00 0.00 175.30 172.82 1bbj n SER 131 N -4.00 -4.40 0.24 -2.89 7.64 -1.26 -4.83 113.62 104.12 1bbj n SER 131 Ca 0.15 -0.84 0.10 0.00 1.01 0.00 0.00 58.87 59.29 1bbj n SER 131 Cb 0.59 -3.58 0.61 0.00 -1.01 0.00 0.00 64.21 60.83 1bbj n SER 131 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1bbj h THR 132 N -1.93 0.71 0.00 0.44 2.02 -1.86 -3.43 112.91 108.86 1bbj h THR 132 Ca -0.58 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 65.85 1bbj h THR 132 Cb 1.38 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1bbj h THR 132 CO 0.70 0.18 0.00 -1.20 0.37 0.00 0.00 175.52 175.57 1bbj n SER 133 N -3.72 0.00 -0.58 4.18 7.64 -1.26 -5.16 113.62 114.71 1bbj n SER 133 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1bbj n SER 133 Cb 0.29 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1bbj n SER 133 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1bbj n GLU 134 N -1.85 3.41 -0.92 1.43 2.13 -1.26 -5.00 120.64 118.57 1bbj n GLU 134 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1bbj n GLU 134 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 1bbj n GLU 134 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1bbj n SER 135 N -0.30 5.73 -3.71 4.31 7.64 -1.26 -4.45 113.62 121.58 1bbj n SER 135 Ca 0.00 -2.70 -0.17 0.00 1.01 0.00 0.00 58.87 57.01 1bbj n SER 135 Cb 0.00 -1.23 -0.17 0.00 -1.01 0.00 0.00 64.21 61.80 1bbj n SER 135 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1bbj s THR 136 N -0.49 -0.11 0.12 0.44 2.01 -1.26 -1.76 115.64 114.59 1bbj s THR 136 Ca 0.39 0.32 0.07 0.00 0.31 0.00 0.00 61.69 62.79 1bbj s THR 136 Cb 0.22 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.53 1bbj s THR 136 CO -0.04 0.13 -0.09 0.00 -0.69 0.00 0.00 174.62 173.94 1bbj s ALA 137 N 1.74 2.99 0.04 7.40 0.00 0.14 -4.72 121.76 129.36 1bbj s ALA 137 Ca -0.01 -1.28 0.08 0.00 0.00 0.00 0.00 51.96 50.74 1bbj s ALA 137 Cb -0.12 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 1bbj s ALA 137 CO -0.04 0.61 -0.21 0.00 0.00 0.00 0.00 175.76 176.12 1bbj s ALA 138 N -1.33 1.82 0.17 0.00 0.00 -1.26 -1.20 121.76 119.96 1bbj s ALA 138 Ca 0.23 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.14 1bbj s ALA 138 Cb -0.11 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1bbj s ALA 138 CO 0.15 0.41 -0.07 -0.51 0.00 0.00 0.00 175.76 175.74 1bbj s LEU 139 N -1.17 2.41 0.00 0.00 2.01 -0.12 -4.29 118.68 117.53 1bbj s LEU 139 Ca 0.08 -1.07 -0.20 0.00 0.01 0.00 0.00 54.13 52.94 1bbj s LEU 139 Cb -0.09 -0.29 0.07 0.00 0.01 0.00 0.00 46.19 45.90 1bbj s LEU 139 CO 0.02 -0.40 0.98 0.61 1.01 0.00 0.00 176.35 178.57 1bbj n GLY 140 N -0.24 0.64 3.22 -3.19 0.00 -0.13 0.21 105.19 105.70 1bbj n GLY 140 Ca -0.09 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.60 1bbj n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bbj s LEU 142 N -2.08 3.79 -0.95 0.00 2.96 0.25 -0.72 118.68 121.93 1bbj s LEU 142 Ca 0.04 -1.31 -0.19 0.00 -0.22 0.00 0.00 54.13 52.46 1bbj s LEU 142 Cb -0.08 -1.67 0.13 0.00 0.50 0.00 0.00 46.19 45.07 1bbj s LEU 142 CO 0.03 -0.24 1.16 -0.69 -1.32 0.00 0.00 176.35 175.28 1bbj s VAL 143 N 1.21 4.71 0.10 1.68 1.01 -0.12 0.14 120.40 129.13 1bbj s VAL 143 Ca -0.06 -1.60 0.04 0.00 0.00 0.00 0.00 61.98 60.35 1bbj s VAL 143 Cb -0.20 -4.80 -0.04 0.00 0.00 0.00 0.00 36.38 31.34 1bbj s VAL 143 CO -0.02 -1.53 0.08 -0.75 0.00 0.00 0.00 175.10 172.88 1bbj s LYS 144 N 2.72 2.84 -0.86 2.72 2.20 -0.51 -1.65 119.74 127.19 1bbj s LYS 144 Ca 0.34 -0.74 -0.05 0.00 -0.36 0.00 0.00 55.97 55.16 1bbj s LYS 144 Cb -0.04 -2.69 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 1bbj s LYS 144 CO -0.09 0.55 0.70 -0.25 -0.36 0.00 0.00 175.35 175.90 1bbj n ASP 145 N 0.33 -6.33 -4.40 1.43 8.00 0.06 -1.25 116.55 114.38 1bbj n ASP 145 Ca -0.09 -0.58 -0.20 0.00 0.71 0.00 0.00 54.79 54.63 1bbj n ASP 145 Cb 0.52 -3.77 -0.10 0.00 -0.02 0.00 0.00 41.12 37.75 1bbj n ASP 145 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1bbj s TYR 146 N -3.11 1.90 -0.26 1.24 -0.85 -0.96 -4.48 117.35 110.83 1bbj s TYR 146 Ca 0.12 -0.62 -0.24 0.00 -0.52 0.00 0.00 57.07 55.81 1bbj s TYR 146 Cb -0.04 -0.99 0.07 0.00 0.38 0.00 0.00 41.96 41.38 1bbj s TYR 146 CO 0.82 0.35 0.69 0.12 -1.52 0.00 0.00 175.55 176.02 1bbj s PHE 147 N -2.95 -0.76 0.71 -3.49 5.36 0.90 -0.51 117.98 117.24 1bbj s PHE 147 Ca 0.27 1.86 0.01 0.00 -0.96 0.00 0.00 56.93 58.11 1bbj s PHE 147 Cb 0.01 0.26 0.14 0.00 -0.34 0.00 0.00 43.02 43.09 1bbj s PHE 147 CO 0.10 -0.37 0.97 -0.35 -1.46 0.00 0.00 175.22 174.12 1bbj n PRO 148 N 2.68 -0.02 -1.91 10.12 -0.04 -1.26 -1.30 135.00 143.28 1bbj n PRO 148 Ca -0.14 -2.77 -0.35 0.00 -0.04 0.00 0.00 63.50 60.20 1bbj n PRO 148 Cb 0.55 -0.61 0.04 0.00 -0.04 0.00 0.00 33.50 33.45 1bbj n PRO 148 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1bbj s GLU 149 N -5.04 2.85 0.20 0.54 0.41 -1.26 -4.72 118.70 111.68 1bbj s GLU 149 Ca 0.65 1.74 0.08 0.00 -0.41 0.00 0.00 54.97 57.03 1bbj s GLU 149 Cb -0.04 -1.92 -0.04 0.00 -1.78 0.00 0.00 34.13 30.35 1bbj s GLU 149 CO 0.43 -1.28 0.03 -1.25 -0.49 0.00 0.00 175.26 172.70 1bbj s PRO 150 N -3.52 2.47 -0.06 0.39 0.04 -1.26 -4.91 135.00 128.15 1bbj s PRO 150 Ca 0.75 -1.16 0.01 0.00 0.04 0.00 0.00 61.00 60.64 1bbj s PRO 150 Cb -0.28 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 1bbj s PRO 150 CO 0.36 0.43 -0.06 0.08 0.04 0.00 0.00 177.00 177.84 1bbj s VAL 151 N -1.91 3.76 -0.15 -0.36 1.01 -1.26 -4.50 120.40 116.98 1bbj s VAL 151 Ca 0.29 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 1bbj s VAL 151 Cb -0.09 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1bbj s VAL 151 CO 0.20 0.56 -0.13 0.42 0.00 0.00 0.00 175.10 176.15 1bbj s THR 152 N -0.85 2.89 -0.02 3.92 -4.23 0.38 -4.90 115.64 112.83 1bbj s THR 152 Ca 0.13 -0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 1bbj s THR 152 Cb -0.11 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1bbj s THR 152 CO 0.03 0.51 0.10 -0.69 -0.54 0.00 0.00 174.62 174.03 1bbj s VAL 153 N 0.69 4.90 -0.05 2.29 1.01 -1.26 -1.14 120.40 126.85 1bbj s VAL 153 Ca -0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 1bbj s VAL 153 Cb -0.15 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.02 1bbj s VAL 153 CO 0.02 0.39 0.12 -0.44 0.00 0.00 0.00 175.10 175.18 1bbj s SER 154 N -1.66 -0.09 0.17 3.32 0.01 -1.00 -4.97 113.70 109.48 1bbj s SER 154 Ca 0.22 0.24 -0.02 0.00 1.31 0.00 0.00 55.95 57.71 1bbj s SER 154 Cb -0.12 0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.24 1bbj s SER 154 CO 0.13 -0.10 0.37 0.26 0.41 0.00 0.00 173.24 174.31 1bbj s TRP 155 N 0.72 3.48 -1.60 2.43 0.52 -1.26 -1.24 118.94 121.99 1bbj s TRP 155 Ca -0.05 0.38 -0.09 0.00 0.02 0.00 0.00 56.10 56.36 1bbj s TRP 155 Cb -0.07 -1.88 0.09 0.00 -1.15 0.00 0.00 33.47 30.46 1bbj s TRP 155 CO -0.03 0.41 0.23 0.09 0.02 0.00 0.00 176.95 177.67 1bbj n ASN 156 N -0.38 -0.15 -3.82 2.95 5.03 0.11 -0.59 115.26 118.42 1bbj n ASN 156 Ca -0.04 -1.20 -0.27 0.00 0.87 0.00 0.00 54.58 53.94 1bbj n ASN 156 Cb 0.53 -1.51 0.03 0.00 -1.02 0.00 0.00 39.78 37.81 1bbj n ASN 156 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1bbj n SER 157 N -2.55 -3.58 0.00 6.41 7.64 -1.26 -2.08 113.62 118.20 1bbj n SER 157 Ca -0.14 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 58.96 1bbj n SER 157 Cb 0.57 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.75 1bbj n SER 157 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bbj n GLY 158 N -1.67 3.34 0.00 0.23 0.00 0.25 -4.92 105.19 102.42 1bbj n GLY 158 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 1bbj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bbj n ALA 159 N -1.42 2.28 -3.74 4.61 0.00 -0.89 -4.61 120.51 116.74 1bbj n ALA 159 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 1bbj n ALA 159 Cb 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 19.45 18.28 1bbj n ALA 159 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1bbj s LEU 160 N -1.05 1.95 -0.16 0.00 1.98 -1.16 -4.93 118.68 115.30 1bbj s LEU 160 Ca 0.02 -1.41 0.01 0.00 -2.89 0.00 0.00 54.13 49.86 1bbj s LEU 160 Cb 0.01 -0.80 -0.10 0.00 0.66 0.00 0.00 46.19 45.96 1bbj s LEU 160 CO 0.02 -0.38 -0.14 0.35 -1.89 0.00 0.00 176.35 174.31 1bbj n THR 161 N 4.90 0.89 -1.58 3.68 -2.24 -1.26 -4.27 114.28 114.40 1bbj n THR 161 Ca -0.04 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 1bbj n THR 161 Cb 0.43 -1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 67.51 1bbj n THR 161 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bbj s SER 162 N -5.52 3.66 0.00 3.42 1.04 -1.26 -2.53 113.70 112.51 1bbj s SER 162 Ca -0.21 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1bbj s SER 162 Cb 0.05 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1bbj s SER 162 CO 0.36 -4.31 0.00 0.61 0.98 0.00 0.00 173.24 170.88 1bbj n GLY 163 N 6.52 1.00 3.83 7.32 0.00 -1.26 -4.80 105.19 117.80 1bbj n GLY 163 Ca 0.44 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 1bbj n GLY 163 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bbj s VAL 164 N -2.00 4.48 -0.14 1.61 -7.23 -1.05 -2.42 120.40 113.66 1bbj s VAL 164 Ca 0.00 1.31 -0.06 0.00 -1.81 0.00 0.00 61.98 61.42 1bbj s VAL 164 Cb 0.00 -3.66 0.06 0.00 0.56 0.00 0.00 36.38 33.34 1bbj s VAL 164 CO 0.00 -0.50 0.30 -1.00 -0.31 0.00 0.00 175.10 173.59 1bbj s HIS 165 N -2.39 -0.48 -0.16 2.82 3.76 0.75 -4.96 115.29 114.62 1bbj s HIS 165 Ca 0.60 1.05 0.01 0.00 -0.15 0.00 0.00 55.06 56.57 1bbj s HIS 165 Cb -0.10 0.07 0.02 0.00 1.11 0.00 0.00 32.58 33.68 1bbj s HIS 165 CO 0.23 -0.35 -0.19 0.99 -0.85 0.00 0.00 174.74 174.57 1bbj s THR 166 N 2.08 1.92 0.60 1.30 2.01 -1.26 -0.46 115.64 121.83 1bbj s THR 166 Ca -0.03 -0.86 -0.14 0.00 0.31 0.00 0.00 61.69 60.97 1bbj s THR 166 Cb -0.11 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1bbj s THR 166 CO -0.10 0.52 1.03 -0.36 -0.69 0.00 0.00 174.62 175.03 1bbj s PHE 167 N 1.26 3.26 0.38 4.92 0.40 -1.03 -5.02 117.98 122.15 1bbj s PHE 167 Ca 0.03 1.44 -0.28 0.00 -0.60 0.00 0.00 56.93 57.52 1bbj s PHE 167 Cb -0.13 -2.87 -0.11 0.00 0.51 0.00 0.00 43.02 40.42 1bbj s PHE 167 CO -0.10 -0.86 1.49 -1.25 0.70 0.00 0.00 175.22 175.20 1bbj s PRO 168 N -4.51 4.09 0.47 0.24 0.04 -1.26 -4.75 135.00 129.32 1bbj s PRO 168 Ca 0.59 2.59 -0.24 0.00 0.04 0.00 0.00 61.00 63.98 1bbj s PRO 168 Cb -0.13 -2.96 -0.07 0.00 0.04 0.00 0.00 34.50 31.38 1bbj s PRO 168 CO 0.43 -0.56 1.32 0.00 0.04 0.00 0.00 177.00 178.23 1bbj s ALA 169 N -1.12 3.07 -0.02 8.56 0.00 -1.26 -4.86 121.76 126.12 1bbj s ALA 169 Ca 0.53 1.25 0.05 0.00 0.00 0.00 0.00 51.96 53.80 1bbj s ALA 169 Cb -0.47 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 1bbj s ALA 169 CO 0.64 -1.03 -0.17 0.54 0.00 0.00 0.00 175.76 175.73 1bbj s VAL 170 N -1.32 2.81 -0.42 0.00 0.11 -0.09 -4.95 120.40 116.54 1bbj s VAL 170 Ca 0.63 -0.93 -0.18 0.00 -2.93 0.00 0.00 61.98 58.58 1bbj s VAL 170 Cb -0.38 -2.11 0.02 0.00 -1.53 0.00 0.00 36.38 32.38 1bbj s VAL 170 CO 0.47 0.51 0.48 -0.22 -3.33 0.00 0.00 175.10 173.01 1bbj s LEU 171 N -0.92 4.78 0.88 2.54 2.96 -1.26 -0.42 118.68 127.24 1bbj s LEU 171 Ca 0.12 -0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 53.30 1bbj s LEU 171 Cb -0.10 -2.46 0.14 0.00 0.50 0.00 0.00 46.19 44.27 1bbj s LEU 171 CO 0.02 -0.62 1.25 -1.10 -1.32 0.00 0.00 176.35 174.58 1bbj s GLN 172 N 2.27 1.30 0.21 1.98 -0.21 -0.61 -4.93 119.66 119.67 1bbj s GLN 172 Ca 0.14 -0.17 -0.12 0.00 0.02 0.00 0.00 55.36 55.24 1bbj s GLN 172 Cb -0.16 -1.91 0.27 0.00 1.00 0.00 0.00 33.01 32.21 1bbj s GLN 172 CO 0.15 -2.00 1.66 0.77 -2.12 0.00 0.00 175.29 173.74 1bbj h SER 173 N -1.34 -0.34 0.21 5.90 0.02 -1.98 -1.36 113.55 114.67 1bbj h SER 173 Ca -0.45 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1bbj h SER 173 Cb 1.28 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 64.11 1bbj h SER 173 CO 0.52 -0.13 -0.01 0.77 -1.14 0.00 0.00 176.83 176.83 1bbj h SER 174 N 0.08 0.00 0.00 3.07 4.64 -2.02 -3.45 113.55 115.87 1bbj h SER 174 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1bbj h SER 174 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1bbj h SER 174 CO -0.54 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.04 1bbj n GLY 175 N -0.87 0.87 3.61 -0.77 0.00 -0.51 -5.08 105.19 102.44 1bbj n GLY 175 Ca -0.02 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 1bbj n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bbj s LEU 176 N 0.00 3.04 0.52 0.99 1.43 -1.26 -4.91 118.68 118.49 1bbj s LEU 176 Ca 0.00 -0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1bbj s LEU 176 Cb 0.00 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.70 1bbj s LEU 176 CO 0.00 -0.06 0.77 -0.31 0.23 0.00 0.00 176.35 176.99 1bbj s TYR 177 N -2.40 3.17 0.08 0.29 2.02 0.33 -1.58 117.35 119.26 1bbj s TYR 177 Ca 0.32 0.34 -0.05 0.00 -0.37 0.00 0.00 57.07 57.32 1bbj s TYR 177 Cb -0.05 -2.55 -0.02 0.00 -0.40 0.00 0.00 41.96 38.94 1bbj s TYR 177 CO 0.19 -0.63 0.09 0.45 -1.57 0.00 0.00 175.55 174.08 1bbj s SER 178 N -4.29 0.29 -0.27 2.29 0.15 0.44 -0.77 113.70 111.55 1bbj s SER 178 Ca 0.52 -0.86 -0.26 0.00 0.70 0.00 0.00 55.95 56.05 1bbj s SER 178 Cb -0.10 0.28 0.16 0.00 -1.71 0.00 0.00 66.02 64.65 1bbj s SER 178 CO 0.41 -0.68 1.23 -0.22 1.20 0.00 0.00 173.24 175.18 1bbj s LEU 179 N -2.91 -0.22 0.08 3.45 0.20 -0.66 -0.92 118.68 117.70 1bbj s LEU 179 Ca 0.08 0.38 0.10 0.00 0.69 0.00 0.00 54.13 55.38 1bbj s LEU 179 Cb 0.06 1.46 -0.03 0.00 -0.43 0.00 0.00 46.19 47.25 1bbj s LEU 179 CO -0.09 -0.11 -0.26 -0.44 -0.29 0.00 0.00 176.35 175.16 1bbj s SER 180 N -0.25 3.12 -0.11 3.68 0.01 -1.26 -0.94 113.70 117.95 1bbj s SER 180 Ca 0.05 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.64 1bbj s SER 180 Cb -0.04 -0.25 0.03 0.00 0.21 0.00 0.00 66.02 65.98 1bbj s SER 180 CO -0.09 0.21 -0.01 -0.55 0.41 0.00 0.00 173.24 173.21 1bbj s SER 181 N -1.58 2.01 0.22 2.44 0.15 0.10 -2.46 113.70 114.57 1bbj s SER 181 Ca 0.12 -0.30 0.11 0.00 0.70 0.00 0.00 55.95 56.58 1bbj s SER 181 Cb -0.10 -0.56 -0.05 0.00 -1.71 0.00 0.00 66.02 63.60 1bbj s SER 181 CO 0.04 -0.20 -0.20 0.68 1.20 0.00 0.00 173.24 174.75 1bbj s VAL 182 N 1.89 2.54 0.01 4.45 -7.23 0.39 -0.23 120.40 122.22 1bbj s VAL 182 Ca 0.04 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1bbj s VAL 182 Cb -0.13 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 1bbj s VAL 182 CO -0.06 -0.20 -0.13 0.54 -0.31 0.00 0.00 175.10 174.93 1bbj s VAL 183 N -1.93 1.01 -0.14 1.32 0.11 0.13 -0.18 120.40 120.72 1bbj s VAL 183 Ca 0.24 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.59 1bbj s VAL 183 Cb -0.07 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1bbj s VAL 183 CO 0.12 0.15 -0.20 0.42 -3.33 0.00 0.00 175.10 172.26 1bbj s THR 184 N -0.54 2.27 0.29 5.04 -4.23 -1.01 -0.94 115.64 116.52 1bbj s THR 184 Ca 0.03 -0.91 0.11 0.00 -1.18 0.00 0.00 61.69 59.74 1bbj s THR 184 Cb -0.06 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 1bbj s THR 184 CO 0.00 0.54 -0.13 0.68 -0.54 0.00 0.00 174.62 175.17 1bbj s VAL 185 N 0.75 2.59 0.67 2.29 -7.23 -0.34 -4.64 120.40 114.49 1bbj s VAL 185 Ca -0.08 -2.26 -0.16 0.00 -1.81 0.00 0.00 61.98 57.67 1bbj s VAL 185 Cb -0.16 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1bbj s VAL 185 CO 0.00 -0.34 1.16 -2.16 -0.31 0.00 0.00 175.10 173.44 1bbj s PRO 186 N -3.57 2.62 0.35 4.82 0.04 -1.26 0.28 135.00 138.29 1bbj s PRO 186 Ca 0.31 1.59 0.04 0.00 0.04 0.00 0.00 61.00 62.98 1bbj s PRO 186 Cb -0.03 -1.91 0.66 0.00 0.04 0.00 0.00 34.50 33.25 1bbj s PRO 186 CO 0.16 -1.43 1.93 0.77 0.04 0.00 0.00 177.00 178.48 1bbj h SER 187 N 0.10 0.53 -0.92 6.66 0.02 -1.64 -3.13 113.55 115.17 1bbj h SER 187 Ca -0.48 -0.07 0.27 0.00 -0.84 0.00 0.00 61.79 60.67 1bbj h SER 187 Cb 1.27 -0.14 -0.16 0.00 0.14 0.00 0.00 62.40 63.52 1bbj h SER 187 CO 0.53 0.51 0.20 0.28 -1.14 0.00 0.00 176.83 177.22 1bbj h SER 188 N 0.57 -0.12 0.00 3.07 0.02 -1.94 -1.70 113.55 113.46 1bbj h SER 188 Ca 0.14 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1bbj h SER 188 Cb 0.18 0.34 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1bbj h SER 188 CO -0.01 -0.25 0.00 -1.54 -1.14 0.00 0.00 176.83 173.89 1bbj n SER 189 N -5.31 0.00 -4.57 3.07 3.41 -1.18 -4.68 113.62 104.36 1bbj n SER 189 Ca 0.24 -1.14 -0.36 0.00 -0.26 0.00 0.00 58.87 57.34 1bbj n SER 189 Cb 0.77 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 1bbj n SER 189 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bbj s LEU 190 N -1.33 3.44 0.00 1.04 2.01 -0.64 -1.45 118.68 121.75 1bbj s LEU 190 Ca 0.11 -1.61 0.00 0.00 0.01 0.00 0.00 54.13 52.63 1bbj s LEU 190 Cb 0.05 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.67 1bbj s LEU 190 CO 0.08 -1.97 0.00 0.61 1.01 0.00 0.00 176.35 176.08 1bbj n GLY 191 N 6.26 1.39 0.28 -3.19 0.00 -1.26 -5.01 105.19 103.66 1bbj n GLY 191 Ca 0.41 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.53 1bbj n GLY 191 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bbj h THR 192 N 0.00 0.80 -3.90 2.61 2.02 -1.53 -3.44 112.91 109.47 1bbj h THR 192 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 1bbj h THR 192 Cb 0.00 0.98 -0.15 0.00 -1.74 0.00 0.00 68.15 67.24 1bbj h THR 192 CO 0.00 0.00 -0.47 -0.54 0.37 0.00 0.00 175.52 174.88 1bbj s LYS 193 N -4.90 0.74 -0.19 6.66 1.02 -1.26 -5.13 119.74 116.69 1bbj s LYS 193 Ca -0.05 -0.97 -0.08 0.00 0.02 0.00 0.00 55.97 54.89 1bbj s LYS 193 Cb 0.16 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.73 1bbj s LYS 193 CO 0.63 -0.21 0.07 0.99 -0.92 0.00 0.00 175.35 175.91 1bbj s THR 194 N -3.63 4.82 -0.25 2.17 2.01 -1.26 -4.97 115.64 114.53 1bbj s THR 194 Ca 0.03 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.89 1bbj s THR 194 Cb 0.04 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 1bbj s THR 194 CO -0.09 0.45 0.26 -0.31 -0.69 0.00 0.00 174.62 174.23 1bbj s TYR 195 N 0.45 3.28 -0.11 4.92 2.02 -1.26 -4.91 117.35 121.74 1bbj s TYR 195 Ca 0.04 0.31 0.03 0.00 -0.37 0.00 0.00 57.07 57.07 1bbj s TYR 195 Cb -0.12 -2.41 0.00 0.00 -0.40 0.00 0.00 41.96 39.02 1bbj s TYR 195 CO 0.00 -0.08 -0.23 0.99 -1.57 0.00 0.00 175.55 174.67 1bbj s THR 196 N 1.53 2.12 -0.14 -0.71 2.01 -1.26 -1.52 115.64 117.68 1bbj s THR 196 Ca 0.11 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 1bbj s THR 196 Cb -0.15 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1bbj s THR 196 CO 0.08 0.55 -0.02 0.00 -0.69 0.00 0.00 174.62 174.54 1bbj s ASN 198 N -0.01 5.03 -0.17 0.00 -0.87 -0.38 -1.37 114.94 117.18 1bbj s ASN 198 Ca 0.02 -0.67 -0.09 0.00 -1.57 0.00 0.00 52.86 50.55 1bbj s ASN 198 Cb -0.13 -1.86 -0.05 0.00 -0.02 0.00 0.00 41.25 39.19 1bbj s ASN 198 CO 0.02 -0.17 0.14 -0.69 -2.57 0.00 0.00 177.10 173.84 1bbj s VAL 199 N 1.49 5.44 -0.06 1.60 1.01 -0.24 -2.38 120.40 127.26 1bbj s VAL 199 Ca 0.03 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1bbj s VAL 199 Cb -0.17 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1bbj s VAL 199 CO 0.02 0.51 -0.17 -0.62 0.00 0.00 0.00 175.10 174.83 1bbj s ASP 200 N -0.16 2.21 -0.43 3.32 -1.08 -0.29 -2.09 116.67 118.15 1bbj s ASP 200 Ca 0.11 -0.37 0.02 0.00 -0.52 0.00 0.00 52.55 51.79 1bbj s ASP 200 Cb -0.12 -0.82 0.13 0.00 -1.46 0.00 0.00 42.92 40.66 1bbj s ASP 200 CO 0.01 0.12 0.22 -2.28 0.52 0.00 0.00 175.17 173.76 1bbj s HIS 201 N 0.29 2.05 0.31 -5.34 5.65 -1.04 -0.47 115.29 116.74 1bbj s HIS 201 Ca -0.10 -2.41 0.03 0.00 0.25 0.00 0.00 55.06 52.82 1bbj s HIS 201 Cb -0.14 -1.94 0.51 0.00 -1.18 0.00 0.00 32.58 29.83 1bbj s HIS 201 CO 0.04 -0.79 1.81 0.87 -0.65 0.00 0.00 174.74 176.02 1bbj h LYS 202 N 6.85 0.56 0.00 2.88 1.57 -1.84 -2.68 116.57 123.92 1bbj h LYS 202 Ca -0.02 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1bbj h LYS 202 Cb 0.94 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1bbj h LYS 202 CO 0.49 0.63 0.13 -0.35 -0.57 0.00 0.00 179.45 179.78 1bbj n PRO 203 N -4.23 0.07 -0.93 3.15 -0.04 -1.26 -1.92 135.00 129.84 1bbj n PRO 203 Ca 0.01 0.53 0.03 0.00 -0.04 0.00 0.00 63.50 64.03 1bbj n PRO 203 Cb 0.30 -1.86 0.03 0.00 -0.04 0.00 0.00 33.50 31.92 1bbj n PRO 203 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1bbj n SER 204 N -1.87 0.65 -3.85 3.54 3.41 -1.06 -5.01 113.62 109.43 1bbj n SER 204 Ca -0.01 -2.15 -0.26 0.00 -0.26 0.00 0.00 58.87 56.19 1bbj n SER 204 Cb 0.14 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.78 1bbj n SER 204 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bbj n ASN 205 N 0.09 -0.63 -4.48 4.04 5.15 -0.81 -4.87 115.26 113.75 1bbj n ASN 205 Ca 0.04 -0.91 -0.35 0.00 -0.60 0.00 0.00 54.58 52.77 1bbj n ASN 205 Cb 0.90 -1.11 -0.12 0.00 -0.53 0.00 0.00 39.78 38.92 1bbj n ASN 205 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1bbj s THR 206 N -3.97 4.16 -0.10 -0.44 2.01 -1.11 -5.02 115.64 111.16 1bbj s THR 206 Ca 0.13 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 1bbj s THR 206 Cb -0.07 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.57 1bbj s THR 206 CO 0.69 0.42 -0.05 -0.54 -0.69 0.00 0.00 174.62 174.45 1bbj s LYS 207 N 1.00 1.20 0.12 4.92 1.02 -1.26 -2.49 119.74 124.25 1bbj s LYS 207 Ca 0.02 -0.13 0.10 0.00 0.02 0.00 0.00 55.97 55.98 1bbj s LYS 207 Cb -0.14 -1.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.75 1bbj s LYS 207 CO 0.02 -0.28 -0.24 0.08 -0.92 0.00 0.00 175.35 174.01 1bbj s VAL 208 N 1.80 2.01 -0.40 3.17 1.01 -0.89 -4.98 120.40 122.12 1bbj s VAL 208 Ca 0.05 -1.67 0.01 0.00 0.00 0.00 0.00 61.98 60.37 1bbj s VAL 208 Cb -0.12 -1.80 0.12 0.00 0.00 0.00 0.00 36.38 34.58 1bbj s VAL 208 CO -0.07 0.01 0.19 -1.81 0.00 0.00 0.00 175.10 173.42 1bbj s ASP 209 N -2.02 3.83 0.62 3.32 1.01 -1.26 -1.07 116.67 121.09 1bbj s ASP 209 Ca 0.11 -2.33 -0.11 0.00 0.71 0.00 0.00 52.55 50.92 1bbj s ASP 209 Cb -0.10 -1.03 -0.04 0.00 1.01 0.00 0.00 42.92 42.76 1bbj s ASP 209 CO 0.05 -0.31 1.03 -0.54 0.21 0.00 0.00 175.17 175.61 1bbj s LYS 210 N 0.72 3.61 0.03 8.23 -0.14 -0.47 -4.82 119.74 126.91 1bbj s LYS 210 Ca 0.15 0.75 0.05 0.00 -1.36 0.00 0.00 55.97 55.56 1bbj s LYS 210 Cb -0.22 -2.08 -0.02 0.00 -1.68 0.00 0.00 37.83 33.82 1bbj s LYS 210 CO -0.07 -0.56 -0.14 1.03 -0.76 0.00 0.00 175.35 174.86 1bbj s ARG 211 N -5.14 0.94 0.00 1.68 0.52 -1.26 -1.33 118.95 114.36 1bbj s ARG 211 Ca 0.55 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1bbj s ARG 211 Cb -0.11 -0.94 0.00 0.00 0.52 0.00 0.00 34.95 34.42 1bbj s ARG 211 CO 0.53 0.23 0.48 0.28 0.02 0.00 0.00 175.30 176.84