#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bku s GLN 10 N 0.00 0.28 0.02 5.55 -2.07 -1.26 -2.07 119.66 120.11 2bku s GLN 10 Ca 0.00 -0.51 0.03 0.00 -1.82 0.00 0.00 55.36 53.06 2bku s GLN 10 Cb 0.00 0.05 -0.02 0.00 -1.09 0.00 0.00 33.01 31.96 2bku s GLN 10 CO 0.00 -0.03 -0.10 -0.06 -1.32 0.00 0.00 175.29 173.77 2bku s PHE 11 N -1.19 0.92 -0.15 9.60 0.08 0.82 -4.97 117.98 123.08 2bku s PHE 11 Ca -0.13 -0.28 -0.25 0.00 0.12 0.00 0.00 56.93 56.39 2bku s PHE 11 Cb -0.08 -0.56 -0.02 0.00 -0.57 0.00 0.00 43.02 41.79 2bku s PHE 11 CO -0.01 -0.01 0.81 0.21 -0.10 0.00 0.00 175.22 176.12 2bku s LYS 12 N -0.80 4.32 -0.19 0.44 2.20 -1.26 -0.17 119.74 124.29 2bku s LYS 12 Ca 0.00 0.99 0.01 0.00 -0.36 0.00 0.00 55.97 56.61 2bku s LYS 12 Cb -0.06 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.73 2bku s LYS 12 CO 0.00 -0.26 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.39 2bku s LEU 13 N 1.91 2.23 -0.08 5.43 0.20 -0.65 -1.04 118.68 126.68 2bku s LEU 13 Ca 0.38 -0.73 -0.15 0.00 0.69 0.00 0.00 54.13 54.33 2bku s LEU 13 Cb -0.17 -1.44 -0.05 0.00 -0.43 0.00 0.00 46.19 44.10 2bku s LEU 13 CO 0.14 -0.03 0.37 0.68 -0.29 0.00 0.00 176.35 177.21 2bku s VAL 14 N 1.30 5.18 -0.19 1.68 -7.23 -0.88 0.33 120.40 120.59 2bku s VAL 14 Ca 0.03 0.74 -0.03 0.00 -1.81 0.00 0.00 61.98 60.91 2bku s VAL 14 Cb -0.14 -3.69 -0.01 0.00 0.56 0.00 0.00 36.38 33.10 2bku s VAL 14 CO -0.12 0.47 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.87 2bku s LEU 15 N -0.23 2.94 0.10 1.32 2.96 -0.21 -1.44 118.68 124.13 2bku s LEU 15 Ca 0.22 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2bku s LEU 15 Cb -0.15 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2bku s LEU 15 CO 0.09 0.05 -0.05 0.68 -1.32 0.00 0.00 176.35 175.80 2bku s VAL 16 N 1.05 0.64 0.00 1.68 -7.23 -0.18 -1.99 120.40 114.38 2bku s VAL 16 Ca 0.01 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 2bku s VAL 16 Cb -0.15 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.08 2bku s VAL 16 CO -0.00 -0.84 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 2bku n GLY 17 N -0.05 3.39 3.66 2.32 0.00 -1.26 -0.40 105.19 112.86 2bku n GLY 17 Ca -0.12 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 2bku n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bku n ASP 18 N 0.00 1.44 -4.76 1.61 9.92 -1.26 -4.10 116.55 119.41 2bku n ASP 18 Ca 0.00 0.85 -0.39 0.00 -0.53 0.00 0.00 54.79 54.73 2bku n ASP 18 Cb 0.00 -1.46 0.03 0.00 -0.64 0.00 0.00 41.12 39.05 2bku n ASP 18 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2bku s GLY 19 N -1.19 2.90 0.00 0.44 0.00 -1.24 -2.94 107.32 105.28 2bku s GLY 19 Ca 0.76 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.85 2bku s GLY 19 CO 0.46 1.92 0.00 0.61 0.00 0.00 0.00 173.10 176.10 2bku n GLY 20 N 0.66 0.66 0.12 0.20 0.00 -1.26 -4.92 105.19 100.66 2bku n GLY 20 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2bku n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bku h THR 21 N 0.00 0.00 0.00 2.61 1.35 -1.90 -3.48 112.91 111.49 2bku h THR 21 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2bku h THR 21 Cb 0.03 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 2bku h THR 21 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2bku n GLY 22 N 1.28 1.71 0.12 5.82 0.00 -1.26 -4.62 105.19 108.24 2bku n GLY 22 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2bku n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bku h LYS 23 N 0.00 -0.19 -0.20 1.61 1.57 -1.92 -0.06 116.57 117.38 2bku h LYS 23 Ca 0.00 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2bku h LYS 23 Cb 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2bku h LYS 23 CO 0.00 0.08 0.06 1.15 -0.57 0.00 0.00 179.45 180.17 2bku h THR 24 N -0.45 1.19 -0.38 -0.16 2.02 -1.96 -2.28 112.91 110.89 2bku h THR 24 Ca -0.02 -0.60 0.08 0.00 0.77 0.00 0.00 66.41 66.64 2bku h THR 24 Cb 0.36 1.22 -0.08 0.00 -1.74 0.00 0.00 68.15 67.91 2bku h THR 24 CO 0.03 0.19 -0.13 0.74 0.37 0.00 0.00 175.52 176.72 2bku h THR 25 N 0.14 0.54 -0.20 3.16 2.02 -1.93 0.30 112.91 116.94 2bku h THR 25 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.29 2bku h THR 25 Cb 0.24 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 2bku h THR 25 CO -0.00 0.00 -0.12 0.15 0.37 0.00 0.00 175.52 175.92 2bku h PHE 26 N -0.05 -0.29 0.13 3.16 3.57 -0.83 -1.86 116.94 120.77 2bku h PHE 26 Ca 0.19 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2bku h PHE 26 Cb 0.34 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2bku h PHE 26 CO -0.37 -0.18 -0.06 0.28 -2.23 0.00 0.00 178.31 175.75 2bku h VAL 27 N -0.11 1.03 -0.95 1.41 2.07 -0.91 -2.81 116.25 115.99 2bku h VAL 27 Ca 0.11 -0.74 0.17 0.00 0.82 0.00 0.00 66.70 67.06 2bku h VAL 27 Cb 0.27 1.49 -0.10 0.00 -1.52 0.00 0.00 31.29 31.43 2bku h VAL 27 CO -0.27 0.17 0.55 0.11 0.02 0.00 0.00 177.57 178.15 2bku h LYS 28 N -0.52 0.71 0.01 1.57 1.79 -0.29 0.25 116.57 120.08 2bku h LYS 28 Ca -0.02 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2bku h LYS 28 Cb 0.42 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2bku h LYS 28 CO 0.03 0.47 -0.05 0.00 -1.08 0.00 0.00 179.45 178.82 2bku h ARG 29 N 0.73 -0.08 -0.76 3.15 2.47 -1.29 0.24 114.38 118.85 2bku h ARG 29 Ca 0.53 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 59.29 2bku h ARG 29 Cb 0.77 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.07 2bku h ARG 29 CO -0.37 -0.05 0.50 0.45 0.56 0.00 0.00 179.97 181.06 2bku h HIS 30 N -0.08 0.89 -0.08 3.04 3.86 -0.87 0.38 115.15 122.29 2bku h HIS 30 Ca 0.02 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.11 2bku h HIS 30 Cb 0.11 -0.30 0.01 0.00 1.06 0.00 0.00 27.41 28.29 2bku h HIS 30 CO -0.12 0.52 -0.51 1.25 0.86 0.00 0.00 177.93 179.94 2bku h LEU 31 N 0.92 0.58 -0.08 2.43 5.85 0.11 -3.41 115.31 121.72 2bku h LEU 31 Ca 0.30 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2bku h LEU 31 Cb 0.05 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2bku h LEU 31 CO -0.09 1.16 0.00 0.35 -0.34 0.00 0.00 178.44 179.52 2bku n THR 32 N -4.25 0.00 -1.00 1.05 -2.24 0.79 -5.02 114.28 103.62 2bku n THR 32 Ca -0.09 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2bku n THR 32 Cb 0.61 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 2bku n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bku n GLY 33 N 0.36 0.79 3.73 3.38 0.00 0.13 -5.01 105.19 108.56 2bku n GLY 33 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2bku n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bku s GLU 34 N -0.00 4.31 -0.45 1.61 2.02 -1.26 -4.94 118.70 119.98 2bku s GLU 34 Ca 0.00 0.37 -0.19 0.00 0.02 0.00 0.00 54.97 55.17 2bku s GLU 34 Cb 0.00 -3.43 0.03 0.00 0.10 0.00 0.00 34.13 30.84 2bku s GLU 34 CO 0.00 0.20 0.56 0.12 0.02 0.00 0.00 175.26 176.16 2bku s PHE 35 N 0.52 3.10 0.12 1.61 5.36 -1.26 -3.36 117.98 124.07 2bku s PHE 35 Ca 0.24 -0.34 -0.31 0.00 -0.96 0.00 0.00 56.93 55.57 2bku s PHE 35 Cb -0.15 -3.24 -0.07 0.00 -0.34 0.00 0.00 43.02 39.22 2bku s PHE 35 CO 0.09 -0.86 1.27 -2.00 -1.46 0.00 0.00 175.22 172.26 2bku s GLU 36 N 2.49 4.41 -0.25 10.12 2.56 -1.26 -4.94 118.70 131.83 2bku s GLU 36 Ca 0.16 1.92 -0.10 0.00 0.00 0.00 0.00 54.97 56.95 2bku s GLU 36 Cb -0.17 -3.27 -0.16 0.00 2.00 0.00 0.00 34.13 32.53 2bku s GLU 36 CO 0.15 -0.27 -0.19 1.63 -0.56 0.00 0.00 175.26 176.02 2bku n LYS 37 N 3.43 0.62 -2.18 4.30 5.02 -1.26 -4.95 118.16 123.14 2bku n LYS 37 Ca 0.08 0.27 -0.41 0.00 -2.02 0.00 0.00 58.31 56.23 2bku n LYS 37 Cb 0.44 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 2bku n LYS 37 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2bku s LYS 38 N -2.50 4.38 -0.53 1.97 -0.14 -1.26 -5.00 119.74 116.67 2bku s LYS 38 Ca -0.35 2.11 -0.23 0.00 -1.36 0.00 0.00 55.97 56.13 2bku s LYS 38 Cb 0.11 -3.15 0.04 0.00 -1.68 0.00 0.00 37.83 33.15 2bku s LYS 38 CO 0.56 -0.23 0.88 -0.47 -0.76 0.00 0.00 175.35 175.33 2bku s TYR 39 N -0.29 2.86 -0.32 3.18 5.04 -1.26 -5.01 117.35 121.55 2bku s TYR 39 Ca 0.54 -0.03 -0.05 0.00 -2.44 0.00 0.00 57.07 55.09 2bku s TYR 39 Cb -0.38 -3.94 0.04 0.00 0.35 0.00 0.00 41.96 38.03 2bku s TYR 39 CO 0.43 -1.25 0.07 0.08 -1.34 0.00 0.00 175.55 173.54 2bku s VAL 40 N 3.68 3.61 0.07 3.14 1.01 -1.26 -5.07 120.40 125.58 2bku s VAL 40 Ca 0.29 -1.11 -0.35 0.00 0.00 0.00 0.00 61.98 60.81 2bku s VAL 40 Cb -0.13 -3.01 -0.14 0.00 0.00 0.00 0.00 36.38 33.09 2bku s VAL 40 CO 0.19 -0.11 1.60 -0.81 0.00 0.00 0.00 175.10 175.98 2bku n PRO 41 N 4.78 1.91 -2.32 2.72 -0.04 -1.26 -4.91 135.00 135.88 2bku n PRO 41 Ca -0.13 0.69 -0.41 0.00 -0.04 0.00 0.00 63.50 63.62 2bku n PRO 41 Cb 0.45 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 2bku n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2bku s THR 42 N 1.61 3.19 -0.70 0.52 2.01 -1.26 -4.98 115.64 116.03 2bku s THR 42 Ca 0.84 1.17 -0.10 0.00 0.31 0.00 0.00 61.69 63.91 2bku s THR 42 Cb -0.76 -3.74 0.18 0.00 0.01 0.00 0.00 72.50 68.19 2bku s THR 42 CO 0.44 0.27 0.59 -0.22 -0.69 0.00 0.00 174.62 175.01 2bku s LEU 43 N -1.41 6.08 0.00 4.42 2.96 -1.26 -4.57 118.68 124.89 2bku s LEU 43 Ca 0.47 -2.62 0.00 0.00 -0.22 0.00 0.00 54.13 51.77 2bku s LEU 43 Cb -0.35 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.27 2bku s LEU 43 CO 0.45 -0.53 0.00 0.61 -1.32 0.00 0.00 176.35 175.56 2bku n GLY 44 N 3.97 2.23 3.61 7.98 0.00 -0.62 -4.79 105.19 117.57 2bku n GLY 44 Ca 0.08 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2bku n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bku s VAL 45 N 0.00 0.00 -0.24 1.61 0.11 -1.26 -1.84 120.40 118.78 2bku s VAL 45 Ca 0.00 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2bku s VAL 45 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2bku s VAL 45 CO 0.00 0.00 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.12 2bku s GLU 46 N -0.12 3.07 -0.26 1.54 2.02 -0.91 -4.95 118.70 119.10 2bku s GLU 46 Ca -0.01 -0.83 -0.13 0.00 0.02 0.00 0.00 54.97 54.02 2bku s GLU 46 Cb -0.04 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 2bku s GLU 46 CO 0.00 -0.32 0.29 0.08 0.02 0.00 0.00 175.26 175.33 2bku s VAL 47 N 1.40 5.25 -0.02 2.63 1.01 -1.26 -1.81 120.40 127.60 2bku s VAL 47 Ca 0.03 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2bku s VAL 47 Cb -0.16 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2bku s VAL 47 CO -0.04 0.23 -0.03 -1.00 0.00 0.00 0.00 175.10 174.27 2bku s HIS 48 N 1.70 0.46 0.16 5.22 3.76 -0.71 -4.98 115.29 120.91 2bku s HIS 48 Ca 0.12 -0.08 -0.29 0.00 -0.15 0.00 0.00 55.06 54.66 2bku s HIS 48 Cb -0.15 -0.43 -0.07 0.00 1.11 0.00 0.00 32.58 33.03 2bku s HIS 48 CO 0.09 -0.11 0.92 -1.25 -0.85 0.00 0.00 174.74 173.55 2bku s PRO 49 N 0.62 4.74 -0.09 8.40 0.04 -1.26 -0.98 135.00 146.46 2bku s PRO 49 Ca -0.07 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.43 2bku s PRO 49 Cb -0.10 -3.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.11 2bku s PRO 49 CO -0.01 0.38 -0.24 -0.51 0.04 0.00 0.00 177.00 176.66 2bku s LEU 50 N -0.59 2.09 -0.11 -3.56 1.43 -0.14 -4.95 118.68 112.86 2bku s LEU 50 Ca 0.43 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2bku s LEU 50 Cb -0.24 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2bku s LEU 50 CO 0.30 0.17 -0.17 -0.69 0.23 0.00 0.00 176.35 176.19 2bku s VAL 51 N 0.27 2.73 -0.12 -1.59 1.01 -1.26 -0.02 120.40 121.41 2bku s VAL 51 Ca -0.17 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2bku s VAL 51 Cb -0.17 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2bku s VAL 51 CO 0.08 0.54 -0.17 -0.36 0.00 0.00 0.00 175.10 175.19 2bku s PHE 52 N 0.22 2.72 -0.87 5.22 0.40 -0.03 -4.96 117.98 120.67 2bku s PHE 52 Ca -0.11 -0.82 -0.17 0.00 -0.60 0.00 0.00 56.93 55.23 2bku s PHE 52 Cb -0.16 -1.80 0.16 0.00 0.51 0.00 0.00 43.02 41.73 2bku s PHE 52 CO 0.06 -0.31 0.97 -1.01 0.70 0.00 0.00 175.22 175.63 2bku s HIS 53 N 0.39 3.36 0.80 0.36 3.76 -1.26 -0.87 115.29 121.83 2bku s HIS 53 Ca -0.13 -1.60 -0.08 0.00 -0.15 0.00 0.00 55.06 53.10 2bku s HIS 53 Cb -0.17 -4.09 0.14 0.00 1.11 0.00 0.00 32.58 29.57 2bku s HIS 53 CO 0.06 -1.29 1.12 0.95 -0.85 0.00 0.00 174.74 174.73 2bku s THR 54 N 1.73 2.12 0.11 1.30 -4.23 -0.85 -4.71 115.64 111.12 2bku s THR 54 Ca 0.26 -0.29 0.34 0.00 -1.18 0.00 0.00 61.69 60.82 2bku s THR 54 Cb -0.08 -2.83 0.39 0.00 1.34 0.00 0.00 72.50 71.32 2bku s THR 54 CO -0.08 0.00 2.00 -0.55 -0.54 0.00 0.00 174.62 175.44 2bku h ASN 55 N -0.96 0.00 -1.56 3.99 -1.07 -1.43 -3.05 115.58 111.51 2bku h ASN 55 Ca -0.41 0.00 -0.68 0.00 0.07 0.00 0.00 56.30 55.27 2bku h ASN 55 Cb 1.27 0.00 -0.33 0.00 -2.07 0.00 0.00 38.32 37.19 2bku h ASN 55 CO 0.45 0.00 0.34 0.54 0.07 0.00 0.00 177.43 178.83 2bku n ARG 56 N -3.07 3.02 -0.28 4.14 1.74 -1.26 -5.04 116.66 115.91 2bku n ARG 56 Ca 0.00 -3.82 0.04 0.00 -0.77 0.00 0.00 57.85 53.30 2bku n ARG 56 Cb 0.29 -2.27 -0.01 0.00 -1.02 0.00 0.00 32.46 29.46 2bku n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bku n GLY 57 N -0.61 -1.51 3.80 -0.13 0.00 -1.15 -4.90 105.19 100.70 2bku n GLY 57 Ca 0.50 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 2bku n GLY 57 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2bku s PRO 58 N -1.41 4.37 -0.07 1.61 0.02 -1.26 -2.00 135.00 136.27 2bku s PRO 58 Ca 0.00 1.16 0.05 0.00 0.02 0.00 0.00 61.00 62.23 2bku s PRO 58 Cb 0.00 -2.52 -0.01 0.00 0.02 0.00 0.00 34.50 32.00 2bku s PRO 58 CO 0.00 0.15 -0.24 0.42 -0.33 0.00 0.00 177.00 177.00 2bku s ILE 59 N -1.87 1.96 -0.16 2.83 1.01 -0.05 -4.73 121.20 120.19 2bku s ILE 59 Ca 0.55 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 2bku s ILE 59 Cb -0.14 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 2bku s ILE 59 CO 0.19 0.54 -0.09 -0.75 0.00 0.00 0.00 174.94 174.83 2bku s LYS 60 N 0.05 3.42 -0.32 2.79 2.20 -0.88 -0.85 119.74 126.15 2bku s LYS 60 Ca -0.09 -0.64 -0.06 0.00 -0.36 0.00 0.00 55.97 54.82 2bku s LYS 60 Cb -0.15 -2.80 0.03 0.00 -1.51 0.00 0.00 37.83 33.40 2bku s LYS 60 CO 0.05 0.08 0.08 -0.06 -0.36 0.00 0.00 175.35 175.14 2bku s PHE 61 N 0.73 3.21 -0.79 4.03 0.08 0.97 -0.13 117.98 126.07 2bku s PHE 61 Ca -0.04 -1.32 -0.26 0.00 0.12 0.00 0.00 56.93 55.43 2bku s PHE 61 Cb -0.15 -2.24 0.03 0.00 -0.57 0.00 0.00 43.02 40.09 2bku s PHE 61 CO 0.02 -0.69 1.38 -0.80 -0.10 0.00 0.00 175.22 175.03 2bku s ASN 62 N 1.42 6.13 -0.24 1.36 0.01 0.76 -0.97 114.94 123.40 2bku s ASN 62 Ca -0.00 -0.59 -0.28 0.00 -0.71 0.00 0.00 52.86 51.28 2bku s ASN 62 Cb -0.19 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 38.92 2bku s ASN 62 CO 0.02 -1.84 0.98 -0.69 -1.51 0.00 0.00 177.10 174.06 2bku s VAL 63 N 5.97 4.71 -0.60 1.60 1.01 -0.15 -1.64 120.40 131.29 2bku s VAL 63 Ca 0.41 1.86 -0.17 0.00 0.00 0.00 0.00 61.98 64.08 2bku s VAL 63 Cb -0.07 -4.26 0.13 0.00 0.00 0.00 0.00 36.38 32.18 2bku s VAL 63 CO 0.10 -0.18 0.61 0.26 0.00 0.00 0.00 175.10 175.89 2bku s TRP 64 N 3.14 3.24 -0.71 5.22 0.52 0.15 -1.74 118.94 128.76 2bku s TRP 64 Ca 0.41 -1.29 -0.23 0.00 0.02 0.00 0.00 56.10 55.01 2bku s TRP 64 Cb -0.15 -3.88 0.07 0.00 -1.15 0.00 0.00 33.47 28.36 2bku s TRP 64 CO 0.07 -1.11 1.06 0.34 0.02 0.00 0.00 176.95 177.34 2bku s ASP 65 N 3.42 6.22 0.38 2.95 2.15 -0.75 -1.05 116.67 130.00 2bku s ASP 65 Ca 0.08 -0.99 -0.08 0.00 0.43 0.00 0.00 52.55 51.99 2bku s ASP 65 Cb -0.25 -2.45 -0.06 0.00 -0.30 0.00 0.00 42.92 39.86 2bku s ASP 65 CO 0.02 -1.50 0.71 0.42 -0.17 0.00 0.00 175.17 174.65 2bku s THR 66 N 4.33 4.86 0.28 1.71 -4.23 -0.84 -2.13 115.64 119.62 2bku s THR 66 Ca 0.27 0.42 -0.29 0.00 -1.18 0.00 0.00 61.69 60.91 2bku s THR 66 Cb -0.13 -3.74 -0.10 0.00 1.34 0.00 0.00 72.50 69.87 2bku s THR 66 CO 0.09 -0.49 1.19 0.00 -0.54 0.00 0.00 174.62 174.87 2bku s ALA 67 N -2.32 3.45 -0.12 3.99 0.00 -0.76 -4.84 121.76 121.16 2bku s ALA 67 Ca 0.49 1.03 0.17 0.00 0.00 0.00 0.00 51.96 53.65 2bku s ALA 67 Cb -0.10 -3.40 -0.16 0.00 0.00 0.00 0.00 23.12 19.46 2bku s ALA 67 CO 0.32 -0.37 0.73 0.41 0.00 0.00 0.00 175.76 176.85 2bku n GLY 68 N 1.28 -1.16 3.72 0.00 0.00 -1.26 -4.80 105.19 102.97 2bku n GLY 68 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 2bku n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bku s GLN 69 N -2.91 4.53 0.19 1.61 -0.21 -1.26 -3.72 119.66 117.89 2bku s GLN 69 Ca -0.04 1.24 -0.15 0.00 0.02 0.00 0.00 55.36 56.43 2bku s GLN 69 Cb 0.09 -3.44 0.18 0.00 1.00 0.00 0.00 33.01 30.84 2bku s GLN 69 CO 0.82 0.04 1.65 1.49 -2.12 0.00 0.00 175.29 177.17 2bku h GLU 70 N 6.58 0.03 -0.87 2.91 4.22 -2.00 0.70 114.58 126.15 2bku h GLU 70 Ca -0.41 -0.00 0.22 0.00 0.08 0.00 0.00 59.36 59.24 2bku h GLU 70 Cb 1.21 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 2bku h GLU 70 CO 0.74 0.02 0.04 0.87 -2.18 0.00 0.00 179.01 178.51 2bku h LYS 71 N 0.03 0.08 -0.66 1.92 1.57 -2.01 -2.12 116.57 115.38 2bku h LYS 71 Ca 0.26 -0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.76 2bku h LYS 71 Cb 0.39 -0.02 -0.16 0.00 0.08 0.00 0.00 32.23 32.53 2bku h LYS 71 CO -0.51 0.05 0.26 1.19 -0.57 0.00 0.00 179.45 179.87 2bku n PHE 72 N -5.39 2.12 0.09 -1.35 3.72 0.19 -4.71 117.46 112.13 2bku n PHE 72 Ca 0.19 -1.46 0.18 0.00 -0.05 0.00 0.00 57.45 56.31 2bku n PHE 72 Cb 0.62 -0.67 0.73 0.00 -0.94 0.00 0.00 39.48 39.21 2bku n PHE 72 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2bku h GLY 73 N 1.66 0.00 0.00 1.37 0.00 -0.82 -1.64 103.07 103.64 2bku h GLY 73 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2bku h GLY 73 CO 0.70 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.85 2bku n GLY 74 N -1.55 3.16 0.00 4.60 0.00 -1.26 -1.05 105.19 109.09 2bku n GLY 74 Ca 0.06 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.97 2bku n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bku n LEU 75 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.97 117.00 116.53 2bku n LEU 75 Ca 0.00 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2bku n LEU 75 Cb 0.00 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2bku n LEU 75 CO 0.00 -0.09 0.00 0.54 -1.33 0.00 0.00 177.39 176.51 2bku n ARG 76 N -1.43 0.00 0.00 3.23 1.74 -0.21 -0.58 116.66 119.41 2bku n ARG 76 Ca 0.08 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.22 2bku n ARG 76 Cb 0.24 0.00 0.28 0.00 -1.02 0.00 0.00 32.46 31.96 2bku n ARG 76 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2bku n ASP 77 N 7.33 0.00 -0.32 0.55 3.85 -1.26 -1.61 116.55 125.09 2bku n ASP 77 Ca 0.00 0.44 0.13 0.00 -0.71 0.00 0.00 54.79 54.65 2bku n ASP 77 Cb 0.00 -0.47 0.34 0.00 -1.35 0.00 0.00 41.12 39.64 2bku n ASP 77 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2bku h GLY 78 N 2.21 1.51 2.00 6.12 0.00 -1.25 -1.63 103.07 112.04 2bku h GLY 78 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2bku h GLY 78 CO 0.00 0.02 0.00 -0.97 0.00 0.00 0.00 176.54 175.59 2bku h TYR 79 N 0.75 0.00 0.00 5.60 0.05 -1.48 -2.50 116.97 119.40 2bku h TYR 79 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.30 2bku h TYR 79 Cb 0.83 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.57 2bku h TYR 79 CO -0.00 0.00 0.00 1.88 -1.05 0.00 0.00 178.16 178.99 2bku h TYR 80 N 0.00 0.00 -2.07 4.88 0.05 -1.47 -3.44 116.97 114.91 2bku h TYR 80 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 2bku h TYR 80 Cb 0.27 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.04 2bku h TYR 80 CO 0.00 0.00 0.96 -0.89 -1.05 0.00 0.00 178.16 177.18 2bku n ILE 81 N -2.57 0.34 -0.90 -2.88 5.41 -0.94 -1.13 119.36 116.69 2bku n ILE 81 Ca 0.04 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2bku n ILE 81 Cb 0.40 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 2bku n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bku n GLN 82 N 5.30 -0.37 -1.80 0.38 1.13 -1.26 -4.99 117.38 115.77 2bku n GLN 82 Ca 0.21 0.09 -0.42 0.00 -1.94 0.00 0.00 57.00 54.94 2bku n GLN 82 Cb 0.28 -3.50 -0.03 0.00 0.11 0.00 0.00 30.24 27.10 2bku n GLN 82 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2bku s ALA 83 N -2.26 3.83 -0.84 -1.58 0.00 -0.28 -4.78 121.76 115.85 2bku s ALA 83 Ca 0.00 1.46 0.24 0.00 0.00 0.00 0.00 51.96 53.66 2bku s ALA 83 Cb 0.00 -3.69 0.29 0.00 0.00 0.00 0.00 23.12 19.72 2bku s ALA 83 CO 0.00 -0.97 1.25 1.04 0.00 0.00 0.00 175.76 177.08 2bku n GLN 84 N 4.51 0.12 -3.73 0.00 6.02 -0.20 -4.92 117.38 119.18 2bku n GLN 84 Ca 0.16 0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 57.12 2bku n GLN 84 Cb 0.37 -1.56 -0.01 0.00 1.02 0.00 0.00 30.24 30.06 2bku n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bku s ALA 86 N -3.35 -0.63 -0.14 0.00 0.00 -0.93 -2.06 121.76 114.64 2bku s ALA 86 Ca 0.11 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.92 2bku s ALA 86 Cb -0.02 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.58 2bku s ALA 86 CO 0.01 -0.50 -0.21 0.42 0.00 0.00 0.00 175.76 175.48 2bku s ILE 87 N -3.25 2.02 -0.26 0.00 1.01 -0.52 -1.39 121.20 118.81 2bku s ILE 87 Ca -0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 2bku s ILE 87 Cb 0.01 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 2bku s ILE 87 CO -0.08 0.54 0.21 -0.63 0.00 0.00 0.00 174.94 174.98 2bku s ILE 88 N 0.91 5.31 -0.07 2.92 1.01 0.23 -1.01 121.20 130.50 2bku s ILE 88 Ca -0.05 0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.88 2bku s ILE 88 Cb -0.15 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 2bku s ILE 88 CO -0.04 0.28 -0.12 -0.32 0.00 0.00 0.00 174.94 174.75 2bku s MET 89 N 1.45 2.73 0.21 2.79 1.75 0.46 -0.76 119.30 127.93 2bku s MET 89 Ca 0.09 -0.65 0.06 0.00 -1.25 0.00 0.00 55.69 53.94 2bku s MET 89 Cb -0.15 -2.49 -0.05 0.00 2.84 0.00 0.00 34.83 34.98 2bku s MET 89 CO 0.08 0.57 -0.09 -0.59 -0.65 0.00 0.00 175.02 174.33 2bku s PHE 90 N -0.57 1.62 -0.35 4.11 -0.12 -0.32 -4.06 117.98 118.30 2bku s PHE 90 Ca 0.08 -0.71 -0.13 0.00 -0.05 0.00 0.00 56.93 56.12 2bku s PHE 90 Cb -0.12 -0.84 -0.01 0.00 -0.63 0.00 0.00 43.02 41.42 2bku s PHE 90 CO 0.02 0.20 0.26 0.34 -0.05 0.00 0.00 175.22 175.99 2bku s ASP 91 N -3.30 6.08 0.63 1.98 -1.08 -1.26 -0.58 116.67 119.13 2bku s ASP 91 Ca 0.23 -0.44 0.36 0.00 -0.52 0.00 0.00 52.55 52.18 2bku s ASP 91 Cb 0.02 -2.15 2.04 0.00 -1.46 0.00 0.00 42.92 41.37 2bku s ASP 91 CO 0.07 -0.26 2.26 0.58 0.52 0.00 0.00 175.17 178.33 2bku h VAL 92 N 5.51 0.26 0.00 1.11 2.07 -1.61 -0.93 116.25 122.66 2bku h VAL 92 Ca -0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2bku h VAL 92 Cb 1.15 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2bku h VAL 92 CO 0.65 0.00 0.00 0.41 0.02 0.00 0.00 177.57 178.65 2bku n THR 93 N -3.46 0.04 -3.56 2.57 -1.04 -1.26 -1.84 114.28 105.73 2bku n THR 93 Ca -0.02 0.01 -0.29 0.00 -2.04 0.00 0.00 64.05 61.71 2bku n THR 93 Cb 0.14 -0.52 -0.15 0.00 -1.82 0.00 0.00 70.33 67.98 2bku n THR 93 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2bku s SER 94 N -2.92 3.43 0.28 8.00 0.15 -0.35 -4.49 113.70 117.80 2bku s SER 94 Ca 0.17 -1.23 0.03 0.00 0.70 0.00 0.00 55.95 55.61 2bku s SER 94 Cb 0.19 -0.36 0.68 0.00 -1.71 0.00 0.00 66.02 64.81 2bku s SER 94 CO 0.51 -0.43 1.73 0.03 1.20 0.00 0.00 173.24 176.28 2bku h ARG 95 N 8.39 0.51 -0.87 5.44 3.08 -1.84 -1.53 114.38 127.56 2bku h ARG 95 Ca -0.19 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 59.90 2bku h ARG 95 Cb 1.03 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.90 2bku h ARG 95 CO 0.42 0.34 0.57 -0.24 -1.07 0.00 0.00 179.97 179.99 2bku h VAL 96 N 0.53 1.04 0.00 2.04 3.04 -1.96 0.14 116.25 121.08 2bku h VAL 96 Ca 0.54 -0.33 -0.03 0.00 -1.01 0.00 0.00 66.70 65.87 2bku h VAL 96 Cb 0.92 -0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 30.20 2bku h VAL 96 CO -0.45 0.17 -0.12 0.71 -1.01 0.00 0.00 177.57 176.87 2bku h THR 97 N 0.96 0.45 0.07 3.17 1.35 -1.57 -0.22 112.91 117.12 2bku h THR 97 Ca 0.38 -0.64 -0.29 0.00 -0.55 0.00 0.00 66.41 65.31 2bku h THR 97 Cb 0.25 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 2bku h THR 97 CO -0.14 0.12 -1.53 0.22 -0.25 0.00 0.00 175.52 173.94 2bku h TYR 98 N 0.00 0.26 -0.20 4.73 3.20 -1.18 -3.32 116.97 120.46 2bku h TYR 98 Ca -0.00 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.68 2bku h TYR 98 Cb 0.44 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2bku h TYR 98 CO 0.00 1.25 0.11 -0.22 -1.64 0.00 0.00 178.16 177.66 2bku h LYS 99 N 0.04 0.27 -0.00 1.82 3.64 0.80 -2.32 116.57 120.82 2bku h LYS 99 Ca -0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2bku h LYS 99 Cb 1.98 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.74 2bku h LYS 99 CO 0.13 0.20 -0.16 0.09 -2.27 0.00 0.00 179.45 177.44 2bku n ASN 100 N -4.48 0.48 -0.14 4.20 5.03 -0.25 -4.36 115.26 115.73 2bku n ASN 100 Ca -0.00 -0.44 -0.04 0.00 0.87 0.00 0.00 54.58 54.97 2bku n ASN 100 Cb 0.09 -0.06 0.04 0.00 -1.02 0.00 0.00 39.78 38.84 2bku n ASN 100 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2bku h VAL 101 N 0.50 0.78 -0.83 2.41 2.07 -1.51 -0.83 116.25 118.83 2bku h VAL 101 Ca 0.00 -0.08 0.17 0.00 0.82 0.00 0.00 66.70 67.61 2bku h VAL 101 Cb 0.41 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 2bku h VAL 101 CO 0.00 0.04 0.55 -0.65 0.02 0.00 0.00 177.57 177.53 2bku h PRO 102 N 0.23 0.43 -0.37 1.57 0.11 -1.78 0.05 132.00 132.23 2bku h PRO 102 Ca 0.21 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.20 2bku h PRO 102 Cb 0.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 2bku h PRO 102 CO -0.27 0.28 -0.17 -0.91 -0.21 0.00 0.00 178.00 176.72 2bku h ASN 103 N 0.44 0.79 -0.61 -2.05 2.35 -1.47 -1.81 115.58 113.23 2bku h ASN 103 Ca 0.42 -0.40 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2bku h ASN 103 Cb 0.97 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 2bku h ASN 103 CO -0.15 1.01 0.29 -0.50 -1.65 0.00 0.00 177.43 176.43 2bku h TRP 104 N 0.57 0.88 -0.51 1.19 4.06 -0.50 -2.22 115.95 119.43 2bku h TRP 104 Ca 0.08 -0.04 -0.04 0.00 2.06 0.00 0.00 58.89 60.95 2bku h TRP 104 Cb 0.71 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.58 2bku h TRP 104 CO 0.06 0.67 0.15 1.25 -3.56 0.00 0.00 178.44 177.00 2bku h HIS 105 N 0.83 0.83 0.42 0.49 2.76 -1.03 -2.51 115.15 116.94 2bku h HIS 105 Ca 0.21 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2bku h HIS 105 Cb 0.12 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 2bku h HIS 105 CO 0.00 0.72 -0.46 -0.09 -1.30 0.00 0.00 177.93 176.80 2bku h ARG 106 N 0.69 -0.86 -0.06 5.26 2.43 -1.15 -2.37 114.38 118.31 2bku h ARG 106 Ca 0.16 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 2bku h ARG 106 Cb 0.29 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2bku h ARG 106 CO -0.00 -0.58 0.04 -0.44 -1.51 0.00 0.00 179.97 177.48 2bku h ASP 107 N -0.90 0.00 0.69 -3.80 3.32 -1.37 -2.34 116.42 112.02 2bku h ASP 107 Ca -0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2bku h ASP 107 Cb 0.80 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.36 2bku h ASP 107 CO -0.09 0.00 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.03 2bku h LEU 108 N 0.00 -0.78 -1.38 1.55 3.38 -1.21 -3.33 115.31 113.54 2bku h LEU 108 Ca 0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2bku h LEU 108 Cb 0.11 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2bku h LEU 108 CO -0.00 -0.44 -0.02 -0.37 0.09 0.00 0.00 178.44 177.70 2bku h VAL 109 N -1.14 0.06 0.00 1.22 -1.51 -0.93 0.28 116.25 114.23 2bku h VAL 109 Ca -0.09 -0.59 -0.02 0.00 -1.23 0.00 0.00 66.70 64.77 2bku h VAL 109 Cb 0.74 1.55 -0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2bku h VAL 109 CO 0.16 0.02 -0.09 0.03 -1.23 0.00 0.00 177.57 176.46 2bku h ARG 110 N 0.00 0.00 0.00 5.19 3.08 -1.55 -3.28 114.38 117.82 2bku h ARG 110 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 2bku h ARG 110 Cb 0.55 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 2bku h ARG 110 CO 0.00 0.09 -1.87 0.28 -1.07 0.00 0.00 179.97 177.41 2bku n VAL 111 N -3.41 0.87 -3.53 2.04 0.31 -0.17 -4.83 118.33 109.60 2bku n VAL 111 Ca -0.01 -0.31 -0.41 0.00 -0.01 0.00 0.00 64.34 63.60 2bku n VAL 111 Cb 0.25 -1.18 -0.07 0.00 -0.91 0.00 0.00 33.84 31.93 2bku n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bku h GLU 113 N 7.85 -0.02 -2.66 0.00 4.81 -1.83 -3.38 114.58 119.34 2bku h GLU 113 Ca -0.07 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.57 2bku h GLU 113 Cb 1.03 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 30.02 2bku h GLU 113 CO 0.79 -0.01 -0.84 1.21 -0.73 0.00 0.00 179.01 179.43 2bku s ASN 114 N -3.55 2.80 0.19 1.04 3.04 -1.26 -4.89 114.94 112.32 2bku s ASN 114 Ca -0.03 -2.78 0.10 0.00 0.04 0.00 0.00 52.86 50.19 2bku s ASN 114 Cb 0.03 -0.70 -0.04 0.00 -1.54 0.00 0.00 41.25 38.99 2bku s ASN 114 CO 0.15 -0.23 -0.19 0.27 -3.04 0.00 0.00 177.10 174.06 2bku s ILE 115 N 0.27 2.04 0.20 -5.21 -4.36 -1.26 -5.07 121.20 107.81 2bku s ILE 115 Ca 0.24 -2.05 -0.30 0.00 -0.26 0.00 0.00 60.65 58.28 2bku s ILE 115 Cb -0.12 -2.00 -0.08 0.00 1.25 0.00 0.00 42.46 41.51 2bku s ILE 115 CO -0.08 -0.31 1.05 -2.16 0.24 0.00 0.00 174.94 173.68 2bku s PRO 116 N -2.97 4.67 -0.02 0.37 0.04 -1.26 -4.97 135.00 130.86 2bku s PRO 116 Ca 0.20 1.66 0.01 0.00 0.04 0.00 0.00 61.00 62.91 2bku s PRO 116 Cb -0.06 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.23 2bku s PRO 116 CO 0.09 0.20 -0.04 0.42 0.04 0.00 0.00 177.00 177.71 2bku s ILE 117 N -0.59 0.44 -0.11 0.56 1.01 -1.26 -2.20 121.20 119.05 2bku s ILE 117 Ca 0.46 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 2bku s ILE 117 Cb -0.29 -0.43 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 2bku s ILE 117 CO 0.35 0.17 0.01 -0.69 0.00 0.00 0.00 174.94 174.78 2bku s VAL 118 N 0.48 4.34 -0.26 2.92 1.01 -0.49 -3.60 120.40 124.81 2bku s VAL 118 Ca -0.06 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 2bku s VAL 118 Cb -0.09 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2bku s VAL 118 CO -0.00 0.57 0.13 -0.22 0.00 0.00 0.00 175.10 175.58 2bku s LEU 119 N -0.53 3.81 -0.16 3.92 2.96 0.68 -0.60 118.68 128.75 2bku s LEU 119 Ca 0.09 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 2bku s LEU 119 Cb -0.12 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.54 2bku s LEU 119 CO 0.02 -0.01 -0.16 0.00 -1.32 0.00 0.00 176.35 174.88 2bku s GLY 121 N 0.93 1.69 0.47 0.00 0.00 0.06 -1.18 107.32 109.30 2bku s GLY 121 Ca -0.03 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.27 2bku s GLY 121 CO -0.02 1.58 0.73 0.21 0.00 0.00 0.00 173.10 175.59 2bku s ASN 122 N 2.36 5.90 -0.70 1.64 2.47 0.26 0.36 114.94 127.22 2bku s ASN 122 Ca 0.21 0.50 -0.01 0.00 0.42 0.00 0.00 52.86 53.97 2bku s ASN 122 Cb -0.16 -1.74 0.00 0.00 -1.45 0.00 0.00 41.25 37.91 2bku s ASN 122 CO 0.16 -0.72 0.18 0.29 -3.72 0.00 0.00 177.10 173.30 2bku n LYS 123 N -2.19 -1.66 0.11 0.43 5.02 -0.90 -1.60 118.16 117.37 2bku n LYS 123 Ca 0.01 0.40 0.11 0.00 -2.02 0.00 0.00 58.31 56.81 2bku n LYS 123 Cb 0.57 -4.26 0.46 0.00 -0.02 0.00 0.00 35.03 31.79 2bku n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2bku n VAL 124 N -3.85 0.91 0.21 -0.18 0.24 -1.02 -2.48 118.33 112.16 2bku n VAL 124 Ca -0.07 0.30 0.06 0.00 -2.04 0.00 0.00 64.34 62.59 2bku n VAL 124 Cb 0.56 -1.21 0.47 0.00 -1.47 0.00 0.00 33.84 32.19 2bku n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2bku h ASP 125 N 0.00 0.00 -3.94 -1.34 2.03 -1.92 -3.45 116.42 107.81 2bku h ASP 125 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 2bku h ASP 125 Cb 0.30 0.00 0.06 0.00 -0.83 0.00 0.00 39.33 38.86 2bku h ASP 125 CO 0.00 0.29 0.55 -0.63 -1.03 0.00 0.00 179.24 178.42 2bku s ILE 126 N -4.10 2.92 0.00 4.15 1.01 -1.03 -4.97 121.20 119.17 2bku s ILE 126 Ca -0.02 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.43 2bku s ILE 126 Cb 0.13 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 39.14 2bku s ILE 126 CO 0.68 0.10 0.89 1.17 0.00 0.00 0.00 174.94 177.78 2bku n LYS 127 N 0.16 0.00 -2.99 2.79 3.00 -1.26 -4.33 118.16 115.53 2bku n LYS 127 Ca 0.04 0.44 -0.43 0.00 -0.00 0.00 0.00 58.31 58.35 2bku n LYS 127 Cb 0.45 -1.39 -0.05 0.00 0.00 0.00 0.00 35.03 34.04 2bku n LYS 127 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2bku s ASP 128 N -2.10 6.28 0.48 3.14 -4.77 -1.26 -5.02 116.67 113.42 2bku s ASP 128 Ca 0.00 -0.62 -0.23 0.00 -3.30 0.00 0.00 52.55 48.39 2bku s ASP 128 Cb 0.00 -2.36 -0.07 0.00 -1.09 0.00 0.00 42.92 39.40 2bku s ASP 128 CO 0.00 -1.06 1.31 -0.13 0.70 0.00 0.00 175.17 175.99 2bku s ARG 129 N 3.30 3.55 0.00 2.11 0.52 -1.26 -4.86 118.95 122.31 2bku s ARG 129 Ca 0.23 2.14 0.17 0.00 -0.52 0.00 0.00 55.73 57.75 2bku s ARG 129 Cb -0.16 -2.47 -0.06 0.00 0.52 0.00 0.00 34.95 32.79 2bku s ARG 129 CO 0.16 -0.83 0.86 1.63 0.02 0.00 0.00 175.30 177.14 2bku n LYS 130 N -0.51 1.54 -3.58 3.54 4.76 -0.81 -4.80 118.16 118.28 2bku n LYS 130 Ca 0.07 -0.61 -0.28 0.00 -2.87 0.00 0.00 58.31 54.62 2bku n LYS 130 Cb 0.45 -1.32 -0.12 0.00 -1.84 0.00 0.00 35.03 32.21 2bku n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2bku s VAL 131 N -2.20 1.07 1.01 -0.18 1.01 -0.76 -4.72 120.40 115.63 2bku s VAL 131 Ca 0.12 -2.78 -0.14 0.00 0.00 0.00 0.00 61.98 59.19 2bku s VAL 131 Cb 0.14 -1.73 0.19 0.00 0.00 0.00 0.00 36.38 34.98 2bku s VAL 131 CO 0.52 -1.06 1.13 -0.54 0.00 0.00 0.00 175.10 175.15 2bku s LYS 132 N 0.02 0.33 0.54 2.72 1.02 -1.26 -4.85 119.74 118.26 2bku s LYS 132 Ca 0.25 0.22 0.24 0.00 0.02 0.00 0.00 55.97 56.70 2bku s LYS 132 Cb -0.10 -1.75 1.42 0.00 -0.52 0.00 0.00 37.83 36.88 2bku s LYS 132 CO -0.10 -2.73 2.05 0.00 -0.92 0.00 0.00 175.35 173.65 2bku h ALA 133 N -1.88 2.23 -0.98 5.17 0.00 -2.00 -2.05 119.26 119.75 2bku h ALA 133 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2bku h ALA 133 Cb 1.32 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 2bku h ALA 133 CO 0.53 -0.42 0.62 -0.22 0.00 0.00 0.00 179.25 179.76 2bku h LYS 134 N 0.00 1.31 0.00 0.00 3.64 -2.04 -3.15 116.57 116.33 2bku h LYS 134 Ca 0.15 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2bku h LYS 134 Cb 0.65 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2bku h LYS 134 CO -0.00 0.89 -0.58 0.77 -2.27 0.00 0.00 179.45 178.26 2bku h SER 135 N 1.34 0.00 -2.01 4.20 0.02 -1.71 -3.43 113.55 111.96 2bku h SER 135 Ca 0.36 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.77 2bku h SER 135 Cb -0.11 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.35 2bku h SER 135 CO -0.07 0.15 1.17 -0.63 -1.14 0.00 0.00 176.83 176.31 2bku s ILE 136 N -3.19 3.70 0.00 3.27 1.01 -1.19 -4.71 121.20 120.08 2bku s ILE 136 Ca 0.03 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2bku s ILE 136 Cb 0.07 -4.77 0.00 0.00 0.01 0.00 0.00 42.46 37.77 2bku s ILE 136 CO 0.74 -1.71 0.47 1.33 0.00 0.00 0.00 174.94 175.77 2bku n VAL 137 N 6.65 0.18 0.11 2.92 0.24 -1.26 -4.84 118.33 122.32 2bku n VAL 137 Ca 0.12 -0.42 -0.21 0.00 -2.04 0.00 0.00 64.34 61.79 2bku n VAL 137 Cb 0.50 1.15 -0.13 0.00 -1.47 0.00 0.00 33.84 33.89 2bku n VAL 137 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2bku h PHE 138 N 0.00 0.87 -0.96 6.34 3.57 -2.00 -2.82 116.94 121.93 2bku h PHE 138 Ca 0.00 -0.58 0.24 0.00 3.53 0.00 0.00 57.97 61.16 2bku h PHE 138 Cb 0.29 -0.06 -0.12 0.00 2.79 0.00 0.00 35.95 38.85 2bku h PHE 138 CO 0.00 1.43 0.52 1.12 -2.23 0.00 0.00 178.31 179.15 2bku h HIS 139 N 0.20 0.88 -0.14 0.41 2.07 -1.88 -2.55 115.15 114.15 2bku h HIS 139 Ca -0.18 0.04 -0.02 0.00 -2.85 0.00 0.00 60.37 57.35 2bku h HIS 139 Cb 1.96 -0.24 -0.01 0.00 2.57 0.00 0.00 27.41 31.69 2bku h HIS 139 CO 0.10 0.03 0.01 -0.09 -3.07 0.00 0.00 177.93 174.91 2bku h ARG 140 N 0.52 0.24 0.00 5.12 2.43 -1.77 0.16 114.38 121.07 2bku h ARG 140 Ca 0.61 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.68 2bku h ARG 140 Cb 1.16 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2bku h ARG 140 CO -0.49 0.46 -0.13 0.87 -1.51 0.00 0.00 179.97 179.17 2bku h LYS 141 N -0.01 0.00 0.00 0.20 1.57 -1.23 -3.21 116.57 113.89 2bku h LYS 141 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2bku h LYS 141 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2bku h LYS 141 CO 0.01 0.13 -0.29 1.63 -0.57 0.00 0.00 179.45 180.35 2bku n LYS 142 N -3.28 0.98 -4.08 3.15 4.76 -1.01 -5.02 118.16 113.67 2bku n LYS 142 Ca 0.00 -2.37 -0.39 0.00 -2.87 0.00 0.00 58.31 52.68 2bku n LYS 142 Cb 0.38 -1.20 -0.01 0.00 -1.84 0.00 0.00 35.03 32.36 2bku n LYS 142 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2bku n ASN 143 N -0.92 -2.65 -4.92 4.39 3.02 -0.48 -4.99 115.26 108.71 2bku n ASN 143 Ca 0.13 -1.24 -0.20 0.00 -0.03 0.00 0.00 54.58 53.24 2bku n ASN 143 Cb 0.71 -1.98 -0.02 0.00 -0.61 0.00 0.00 39.78 37.88 2bku n ASN 143 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bku s LEU 144 N -7.29 3.44 -0.17 3.41 1.43 0.42 -5.01 118.68 114.91 2bku s LEU 144 Ca 0.32 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 2bku s LEU 144 Cb -0.17 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 2bku s LEU 144 CO 0.96 -0.72 0.19 -1.58 0.23 0.00 0.00 176.35 175.44 2bku s GLN 145 N -4.21 4.14 0.03 1.70 2.00 -1.24 -4.63 119.66 117.46 2bku s GLN 145 Ca 0.50 -0.09 0.04 0.00 -2.00 0.00 0.00 55.36 53.82 2bku s GLN 145 Cb -0.05 -3.40 -0.04 0.00 0.80 0.00 0.00 33.01 30.33 2bku s GLN 145 CO 0.29 0.33 -0.08 -0.47 -0.50 0.00 0.00 175.29 174.87 2bku s TYR 146 N 0.24 2.84 -0.01 1.67 5.04 -1.26 -0.23 117.35 125.64 2bku s TYR 146 Ca 0.12 -0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.67 2bku s TYR 146 Cb -0.12 -1.56 0.01 0.00 0.35 0.00 0.00 41.96 40.64 2bku s TYR 146 CO 0.01 0.38 0.00 0.71 -1.34 0.00 0.00 175.55 175.31 2bku s TYR 147 N -1.06 0.05 0.27 4.97 2.02 -0.25 -4.96 117.35 118.39 2bku s TYR 147 Ca 0.18 0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.61 2bku s TYR 147 Cb -0.11 -0.09 -0.10 0.00 -0.40 0.00 0.00 41.96 41.26 2bku s TYR 147 CO 0.09 -0.03 1.46 -0.51 -1.57 0.00 0.00 175.55 175.00 2bku s ASP 148 N 0.27 6.59 0.04 2.29 1.01 -1.26 -0.76 116.67 124.84 2bku s ASP 148 Ca -0.02 2.75 -0.00 0.00 0.71 0.00 0.00 52.55 55.98 2bku s ASP 148 Cb -0.04 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 2bku s ASP 148 CO -0.01 -0.74 -0.03 -0.51 0.21 0.00 0.00 175.17 174.09 2bku s ILE 149 N -0.17 0.19 -0.14 0.77 1.10 0.16 -4.61 121.20 118.49 2bku s ILE 149 Ca 0.59 -1.39 -0.04 0.00 -0.51 0.00 0.00 60.65 59.29 2bku s ILE 149 Cb -0.43 -0.93 0.06 0.00 0.15 0.00 0.00 42.46 41.30 2bku s ILE 149 CO 0.46 -0.76 0.10 -0.55 -2.11 0.00 0.00 174.94 172.08 2bku s SER 150 N -2.23 1.97 0.00 4.50 0.15 -1.08 -2.12 113.70 114.88 2bku s SER 150 Ca -0.04 -0.41 0.14 0.00 0.70 0.00 0.00 55.95 56.35 2bku s SER 150 Cb -0.01 -0.15 0.64 0.00 -1.71 0.00 0.00 66.02 64.80 2bku s SER 150 CO -0.06 -0.32 1.43 0.00 1.20 0.00 0.00 173.24 175.49 2bku n ALA 151 N 5.29 1.70 -0.11 5.45 0.00 -1.26 -1.09 120.51 130.49 2bku n ALA 151 Ca -0.06 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 2bku n ALA 151 Cb 0.49 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 2bku n ALA 151 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2bku n LYS 152 N -1.43 0.54 0.00 0.00 4.81 -1.26 -4.50 118.16 116.33 2bku n LYS 152 Ca 0.05 0.34 0.15 0.00 -0.87 0.00 0.00 58.31 57.98 2bku n LYS 152 Cb 0.15 -1.55 0.80 0.00 0.02 0.00 0.00 35.03 34.45 2bku n LYS 152 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2bku n SER 153 N -4.41 0.46 -2.32 3.14 3.41 -1.24 -4.91 113.62 107.76 2bku n SER 153 Ca -0.30 -1.09 -0.19 0.00 -0.26 0.00 0.00 58.87 57.03 2bku n SER 153 Cb 0.64 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 2bku n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2bku n ASN 154 N -0.67 -5.45 -4.73 4.04 4.13 -0.25 -4.94 115.26 107.39 2bku n ASN 154 Ca 0.22 0.08 -0.42 0.00 1.68 0.00 0.00 54.58 56.14 2bku n ASN 154 Cb 0.20 -4.58 -0.03 0.00 -1.54 0.00 0.00 39.78 33.83 2bku n ASN 154 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2bku s TYR 155 N -2.92 3.11 -0.54 3.10 5.04 -1.08 -2.72 117.35 121.35 2bku s TYR 155 Ca 0.00 0.93 -0.03 0.00 -2.44 0.00 0.00 57.07 55.53 2bku s TYR 155 Cb 0.00 -3.79 0.02 0.00 0.35 0.00 0.00 41.96 38.54 2bku s TYR 155 CO 0.00 -2.71 0.09 0.09 -1.34 0.00 0.00 175.55 171.67 2bku n ASN 156 N 3.16 -2.09 -0.37 4.32 3.02 -1.26 -2.65 115.26 119.39 2bku n ASN 156 Ca 0.10 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 2bku n ASN 156 Cb 0.40 -1.86 0.06 0.00 -0.61 0.00 0.00 39.78 37.77 2bku n ASN 156 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2bku n PHE 157 N -2.98 0.08 1.13 3.10 -0.00 -1.10 -1.63 117.46 116.06 2bku n PHE 157 Ca -0.03 1.20 0.12 0.00 -0.00 0.00 0.00 57.45 58.74 2bku n PHE 157 Cb 0.53 -0.90 0.24 0.00 -0.00 0.00 0.00 39.48 39.35 2bku n PHE 157 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2bku n GLU 158 N -5.46 0.66 0.06 -4.13 1.02 -1.26 -4.60 120.64 106.94 2bku n GLU 158 Ca 0.11 -0.44 -0.11 0.00 -0.02 0.00 0.00 57.16 56.69 2bku n GLU 158 Cb 0.41 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 2bku n GLU 158 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2bku h LYS 159 N 1.08 -0.35 -0.96 3.49 1.79 -1.69 -0.74 116.57 119.20 2bku h LYS 159 Ca 0.00 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.60 2bku h LYS 159 Cb 0.55 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 31.21 2bku h LYS 159 CO 0.00 -0.23 0.61 -1.35 -1.08 0.00 0.00 179.45 177.40 2bku h PRO 160 N -0.36 0.93 -0.02 3.15 0.11 -1.81 0.25 132.00 134.24 2bku h PRO 160 Ca 0.06 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 65.93 2bku h PRO 160 Cb 0.43 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2bku h PRO 160 CO -0.19 0.61 -0.77 0.74 -0.21 0.00 0.00 178.00 178.18 2bku h PHE 161 N 0.96 0.26 0.02 0.65 0.04 -1.79 -1.63 116.94 115.44 2bku h PHE 161 Ca 0.46 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 61.10 2bku h PHE 161 Cb 0.44 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.56 2bku h PHE 161 CO -0.00 0.89 -0.01 1.25 -0.60 0.00 0.00 178.31 179.83 2bku h LEU 162 N 0.12 -0.02 -0.74 1.54 5.85 0.23 -0.43 115.31 121.87 2bku h LEU 162 Ca -0.03 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 2bku h LEU 162 Cb 1.35 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 2bku h LEU 162 CO 0.12 0.21 0.27 -0.25 -0.34 0.00 0.00 178.44 178.46 2bku h TRP 163 N -0.25 1.14 -0.12 1.25 7.01 -1.01 -1.35 115.95 122.62 2bku h TRP 163 Ca -0.00 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 60.88 2bku h TRP 163 Cb 0.24 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 26.96 2bku h TRP 163 CO 0.00 0.88 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.46 2bku h LEU 164 N 1.07 0.21 -0.47 0.65 3.38 -1.27 -2.19 115.31 116.69 2bku h LEU 164 Ca 0.24 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 57.97 2bku h LEU 164 Cb 0.24 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 2bku h LEU 164 CO -0.02 0.49 0.03 0.00 0.09 0.00 0.00 178.44 179.04 2bku h ALA 165 N 0.73 0.47 0.59 1.53 0.00 -0.90 0.43 119.26 122.12 2bku h ALA 165 Ca 0.03 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2bku h ALA 165 Cb 0.39 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2bku h ALA 165 CO 0.01 -0.37 -0.43 0.00 0.00 0.00 0.00 179.25 178.47 2bku h ARG 166 N 0.15 -0.94 -0.71 0.00 3.08 -1.19 0.20 114.38 114.97 2bku h ARG 166 Ca 0.24 0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.46 2bku h ARG 166 Cb 0.34 0.21 -0.08 0.00 0.08 0.00 0.00 29.97 30.53 2bku h ARG 166 CO -0.37 -0.63 0.33 -0.22 -1.07 0.00 0.00 179.97 178.02 2bku h LYS 167 N -0.97 0.52 0.05 0.04 1.63 -1.16 0.56 116.57 117.24 2bku h LYS 167 Ca -0.08 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 2bku h LYS 167 Cb 0.80 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 2bku h LYS 167 CO 0.04 0.35 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.29 2bku h LEU 168 N 0.54 -0.05 -0.79 5.20 -0.00 0.09 -2.89 115.31 117.40 2bku h LEU 168 Ca 0.36 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 2bku h LEU 168 Cb 0.44 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 2bku h LEU 168 CO -0.31 0.12 0.00 0.40 -0.00 0.00 0.00 178.44 178.66 2bku h ILE 169 N -0.23 0.00 -0.84 1.22 1.08 -0.28 -3.47 117.51 114.99 2bku h ILE 169 Ca -0.01 -0.64 -0.16 0.00 -0.39 0.00 0.00 64.86 63.66 2bku h ILE 169 Cb 0.21 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 35.55 2bku h ILE 169 CO 0.01 0.00 -0.18 0.61 -0.69 0.00 0.00 178.15 177.90 2bku n GLY 170 N 0.48 0.39 2.97 5.37 0.00 0.19 -5.03 105.19 109.56 2bku n GLY 170 Ca 0.02 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 2bku n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bku s ASP 171 N -2.75 4.20 0.56 1.61 3.68 -1.04 -5.02 116.67 117.92 2bku s ASP 171 Ca 0.00 -1.48 0.33 0.00 2.13 0.00 0.00 52.55 53.53 2bku s ASP 171 Cb 0.00 -1.33 1.80 0.00 -1.45 0.00 0.00 42.92 41.94 2bku s ASP 171 CO 0.00 -0.27 2.00 -0.65 0.13 0.00 0.00 175.17 176.38 2bku h PRO 172 N 7.85 0.00 -0.70 4.34 0.11 -1.96 -3.01 132.00 138.63 2bku h PRO 172 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2bku h PRO 172 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2bku h PRO 172 CO 0.45 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.33 2bku n ASN 173 N -2.76 4.17 -4.75 -2.05 5.03 -1.26 -4.99 115.26 108.65 2bku n ASN 173 Ca -0.02 -2.17 -0.41 0.00 0.87 0.00 0.00 54.58 52.85 2bku n ASN 173 Cb 0.17 -0.52 -0.02 0.00 -1.02 0.00 0.00 39.78 38.39 2bku n ASN 173 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2bku s LEU 174 N -1.31 4.40 0.05 3.41 2.96 -1.14 -5.02 118.68 122.04 2bku s LEU 174 Ca 0.49 2.62 0.05 0.00 -0.22 0.00 0.00 54.13 57.07 2bku s LEU 174 Cb 0.28 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 2bku s LEU 174 CO 0.29 -0.65 -0.14 -1.61 -1.32 0.00 0.00 176.35 172.92 2bku s GLU 175 N -0.48 0.86 -0.26 1.98 0.41 -1.26 -4.97 118.70 114.98 2bku s GLU 175 Ca 0.58 -0.85 -0.15 0.00 -0.41 0.00 0.00 54.97 54.14 2bku s GLU 175 Cb -0.41 -0.86 -0.11 0.00 -1.78 0.00 0.00 34.13 30.97 2bku s GLU 175 CO 0.43 0.20 -0.34 1.19 -0.49 0.00 0.00 175.26 176.26 2bku n PHE 176 N 1.60 0.04 0.00 1.61 3.01 -1.26 -1.15 117.46 121.31 2bku n PHE 176 Ca -0.20 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2bku n PHE 176 Cb 0.54 -0.92 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 2bku n PHE 176 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32