#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bzb s VAL 30 N 0.00 4.63 -0.15 1.55 1.01 -1.26 -2.60 120.40 123.58 3bzb s VAL 30 Ca 0.00 1.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.85 3bzb s VAL 30 Cb 0.00 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3bzb s VAL 30 CO 0.00 -0.52 0.46 -1.61 0.00 0.00 0.00 175.10 173.44 3bzb s GLU 31 N 3.35 4.29 -0.07 2.72 0.41 -1.06 -4.93 118.70 123.41 3bzb s GLU 31 Ca 0.35 0.39 -0.05 0.00 -0.41 0.00 0.00 54.97 55.26 3bzb s GLU 31 Cb -0.12 -3.47 -0.04 0.00 -1.78 0.00 0.00 34.13 28.72 3bzb s GLU 31 CO 0.18 0.08 0.15 1.03 -0.49 0.00 0.00 175.26 176.21 3bzb s ARG 32 N 0.88 3.39 -0.01 1.61 0.52 -1.26 -2.84 118.95 121.24 3bzb s ARG 32 Ca 0.24 -0.24 0.01 0.00 -0.52 0.00 0.00 55.73 55.21 3bzb s ARG 32 Cb -0.15 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.21 3bzb s ARG 32 CO 0.09 0.73 -0.02 -0.47 0.02 0.00 0.00 175.30 175.65 3bzb s TYR 33 N -1.15 0.23 0.02 -0.53 5.04 0.67 -4.99 117.35 116.63 3bzb s TYR 33 Ca 0.20 -0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.81 3bzb s TYR 33 Cb -0.12 -0.20 -0.01 0.00 0.35 0.00 0.00 41.96 41.98 3bzb s TYR 33 CO 0.11 -0.03 -0.03 1.14 -1.34 0.00 0.00 175.55 175.39 3bzb s GLN 34 N 0.21 0.27 0.89 4.97 -2.07 -1.26 0.14 119.66 122.81 3bzb s GLN 34 Ca -0.02 -0.42 -0.12 0.00 -1.82 0.00 0.00 55.36 52.98 3bzb s GLN 34 Cb -0.04 -0.04 0.07 0.00 -1.09 0.00 0.00 33.01 31.91 3bzb s GLN 34 CO -0.01 -0.00 0.80 -1.13 -1.32 0.00 0.00 175.29 173.63 3bzb n SER 35 N 2.12 -0.67 -4.78 12.60 3.41 -1.20 -4.99 113.62 120.11 3bzb n SER 35 Ca -0.19 0.43 -0.30 0.00 -0.26 0.00 0.00 58.87 58.55 3bzb n SER 35 Cb 0.57 -1.35 0.11 0.00 -0.26 0.00 0.00 64.21 63.27 3bzb n SER 35 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3bzb s PRO 36 N -3.94 1.81 0.55 4.33 0.02 -1.26 -4.95 135.00 131.56 3bzb s PRO 36 Ca 0.64 0.64 -0.21 0.00 0.02 0.00 0.00 61.00 62.09 3bzb s PRO 36 Cb -0.25 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 3bzb s PRO 36 CO 0.60 -1.81 1.32 0.00 -0.33 0.00 0.00 177.00 176.78 3bzb n ALA 37 N -3.56 1.41 -3.24 -1.55 0.00 -1.26 -3.71 120.51 108.60 3bzb n ALA 37 Ca 0.07 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.47 3bzb n ALA 37 Cb 0.56 -2.33 0.08 0.00 0.00 0.00 0.00 19.45 17.76 3bzb n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bzb n GLY 38 N 0.82 -0.25 3.17 0.00 0.00 -1.26 -5.04 105.19 102.62 3bzb n GLY 38 Ca 0.11 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3bzb n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bzb s ALA 39 N -3.31 1.69 0.00 4.61 0.00 -1.24 -4.98 121.76 118.54 3bzb s ALA 39 Ca 0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 3bzb s ALA 39 Cb -0.01 -0.55 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 3bzb s ALA 39 CO 0.63 0.31 1.52 -2.30 0.00 0.00 0.00 175.76 175.92 3bzb n PRO 40 N 3.10 0.68 0.00 0.00 -0.02 -1.23 -5.00 135.00 132.53 3bzb n PRO 40 Ca -0.18 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 60.98 3bzb n PRO 40 Cb 0.53 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3bzb n PRO 40 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3bzb n GLN 42 N 2.71 0.00 -3.60 -0.52 1.13 -1.26 -4.74 117.38 111.10 3bzb n GLN 42 Ca 0.14 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.05 3bzb n GLN 42 Cb 0.31 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.60 3bzb n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3bzb s SER 44 N -1.73 5.62 -0.07 0.00 1.04 -1.26 -3.24 113.70 114.07 3bzb s SER 44 Ca -0.08 0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.63 3bzb s SER 44 Cb -0.01 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.41 3bzb s SER 44 CO 0.01 0.38 -0.18 -0.69 0.98 0.00 0.00 173.24 173.74 3bzb s VAL 45 N -0.85 1.58 -0.19 5.02 1.01 0.37 -4.98 120.40 122.37 3bzb s VAL 45 Ca 0.13 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 3bzb s VAL 45 Cb -0.12 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.90 3bzb s VAL 45 CO 0.03 0.45 -0.14 0.00 0.00 0.00 0.00 175.10 175.44 3bzb s GLN 46 N 0.30 3.14 0.01 2.72 -2.07 -1.26 -0.24 119.66 122.26 3bzb s GLN 46 Ca -0.12 -0.75 0.03 0.00 -1.82 0.00 0.00 55.36 52.70 3bzb s GLN 46 Cb -0.15 -2.73 -0.01 0.00 -1.09 0.00 0.00 33.01 29.03 3bzb s GLN 46 CO 0.05 -0.20 -0.10 0.14 -1.32 0.00 0.00 175.29 173.86 3bzb s VAL 47 N 1.34 0.76 0.29 3.63 -7.23 -1.13 -5.03 120.40 113.02 3bzb s VAL 47 Ca 0.05 -0.59 -0.29 0.00 -1.81 0.00 0.00 61.98 59.34 3bzb s VAL 47 Cb -0.14 -0.67 -0.10 0.00 0.56 0.00 0.00 36.38 36.04 3bzb s VAL 47 CO -0.09 0.08 1.11 -1.10 -0.31 0.00 0.00 175.10 174.80 3bzb s GLN 48 N -0.57 4.61 0.05 4.82 -1.52 -1.26 -2.57 119.66 123.22 3bzb s GLN 48 Ca 0.01 1.83 0.09 0.00 -1.95 0.00 0.00 55.36 55.34 3bzb s GLN 48 Cb -0.05 -3.16 -0.03 0.00 -0.22 0.00 0.00 33.01 29.55 3bzb s GLN 48 CO 0.00 0.17 -0.26 0.95 -0.25 0.00 0.00 175.29 175.91 3bzb s THR 49 N -1.17 2.08 0.00 -0.19 -4.23 -1.07 -4.83 115.64 106.23 3bzb s THR 49 Ca 0.45 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 3bzb s THR 49 Cb -0.32 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.73 3bzb s THR 49 CO 0.42 0.34 0.41 0.41 -0.54 0.00 0.00 174.62 175.66 3bzb n THR 50 N 1.76 0.00 0.00 3.99 -1.04 -1.26 -4.11 114.28 113.62 3bzb n THR 50 Ca -0.17 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 3bzb n THR 50 Cb 0.52 1.11 0.00 0.00 -1.82 0.00 0.00 70.33 70.14 3bzb n THR 50 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3bzb n SER 62 N -0.06 0.00 0.14 8.00 2.88 -1.26 -5.10 113.62 118.22 3bzb n SER 62 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 3bzb n SER 62 Cb 0.03 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 63.88 3bzb n SER 62 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3bzb h GLY 63 N 0.00 0.00 0.87 0.46 0.00 -1.91 -2.53 103.07 99.95 3bzb h GLY 63 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3bzb h GLY 63 CO 0.00 0.00 0.06 0.00 0.00 0.00 0.00 176.54 176.60 3bzb h ALA 64 N 2.36 0.21 -0.83 3.60 0.00 -1.92 0.26 119.26 122.95 3bzb h ALA 64 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3bzb h ALA 64 Cb 0.72 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3bzb h ALA 64 CO 0.00 -0.18 0.55 0.00 0.00 0.00 0.00 179.25 179.61 3bzb h ARG 65 N 0.09 1.03 -0.03 0.00 3.08 -1.93 -0.22 114.38 116.40 3bzb h ARG 65 Ca 0.05 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3bzb h ARG 65 Cb 0.20 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3bzb h ARG 65 CO -0.00 0.68 -0.03 0.00 -1.07 0.00 0.00 179.97 179.56 3bzb h ALA 66 N 1.50 0.05 -0.84 0.04 0.00 -1.22 0.31 119.26 119.10 3bzb h ALA 66 Ca 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3bzb h ALA 66 Cb -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3bzb h ALA 66 CO -0.08 -0.20 0.52 1.25 0.00 0.00 0.00 179.25 180.74 3bzb h LEU 67 N -0.36 1.00 0.67 0.00 5.85 -0.38 -1.88 115.31 120.22 3bzb h LEU 67 Ca 0.01 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3bzb h LEU 67 Cb 0.49 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3bzb h LEU 67 CO 0.01 0.76 -0.46 0.00 -0.34 0.00 0.00 178.44 178.40 3bzb h ALA 68 N 1.28 -1.15 -0.96 1.25 0.00 -0.96 -2.26 119.26 116.47 3bzb h ALA 68 Ca 0.30 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 55.18 3bzb h ALA 68 Cb -0.07 0.60 -0.17 0.00 0.00 0.00 0.00 17.79 18.14 3bzb h ALA 68 CO -0.06 -1.17 -0.29 -0.44 0.00 0.00 0.00 179.25 177.30 3bzb h ASP 69 N -1.09 -1.06 -0.46 0.00 3.32 -0.10 0.32 116.42 117.37 3bzb h ASP 69 Ca -0.09 0.29 0.05 0.00 0.02 0.00 0.00 57.03 57.31 3bzb h ASP 69 Cb 0.89 0.64 -0.05 0.00 0.22 0.00 0.00 39.33 41.04 3bzb h ASP 69 CO 0.05 -0.31 0.20 0.74 -1.72 0.00 0.00 179.24 178.20 3bzb h THR 70 N -0.01 0.91 -0.04 0.35 2.02 -1.22 -2.54 112.91 112.38 3bzb h THR 70 Ca 0.42 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.45 3bzb h THR 70 Cb 0.67 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3bzb h THR 70 CO -0.98 0.07 -0.08 -0.07 0.37 0.00 0.00 175.52 174.83 3bzb h LEU 71 N 0.39 0.05 -0.08 2.58 3.38 0.23 0.16 115.31 122.03 3bzb h LEU 71 Ca 0.21 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.93 3bzb h LEU 71 Cb 0.16 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.91 3bzb h LEU 71 CO -0.18 0.14 -0.90 0.00 0.09 0.00 0.00 178.44 177.59 3bzb h TRP 73 N 0.46 1.08 -2.40 0.00 4.06 -1.11 -3.26 115.95 114.79 3bzb h TRP 73 Ca -0.09 -0.28 -0.60 0.00 2.06 0.00 0.00 58.89 59.98 3bzb h TRP 73 Cb 1.55 -0.24 -0.41 0.00 -1.00 0.00 0.00 29.16 29.05 3bzb h TRP 73 CO 0.10 1.09 -0.68 1.04 -3.56 0.00 0.00 178.44 176.42 3bzb n GLN 74 N -4.14 1.97 0.23 0.49 6.02 0.52 -4.75 117.38 117.72 3bzb n GLN 74 Ca -0.01 -4.34 0.08 0.00 -0.01 0.00 0.00 57.00 52.72 3bzb n GLN 74 Cb 0.47 -2.09 0.54 0.00 1.02 0.00 0.00 30.24 30.18 3bzb n GLN 74 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3bzb h PRO 75 N 4.53 0.00 0.00 -1.09 0.11 -1.51 -2.59 132.00 131.46 3bzb h PRO 75 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3bzb h PRO 75 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3bzb h PRO 75 CO 0.73 0.23 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 3bzb n GLU 76 N -3.88 0.04 -0.07 1.05 0.00 -1.26 -0.94 120.64 115.58 3bzb n GLU 76 Ca -0.02 0.32 -0.01 0.00 0.00 0.00 0.00 57.16 57.45 3bzb n GLU 76 Cb 0.32 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.51 3bzb n GLU 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3bzb h LEU 77 N 0.00 0.63 -0.21 -1.84 3.38 -1.82 -3.36 115.31 112.08 3bzb h LEU 77 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3bzb h LEU 77 Cb 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3bzb h LEU 77 CO 0.00 0.64 0.00 2.30 0.09 0.00 0.00 178.44 181.47 3bzb n ILE 78 N -4.29 0.00 -1.65 1.22 -5.35 -0.35 -4.94 119.36 104.01 3bzb n ILE 78 Ca 0.03 -0.32 -0.51 0.00 -0.27 0.00 0.00 62.75 61.68 3bzb n ILE 78 Cb 0.22 1.12 -0.06 0.00 -1.74 0.00 0.00 39.64 39.18 3bzb n ILE 78 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bzb n ALA 79 N -0.42 0.65 -1.00 -1.28 0.00 -0.11 -1.51 120.51 116.84 3bzb n ALA 79 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3bzb n ALA 79 Cb 0.03 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.03 3bzb n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bzb n GLY 80 N 4.78 0.32 3.95 0.00 0.00 0.15 -4.91 105.19 109.47 3bzb n GLY 80 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 3bzb n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bzb s LYS 81 N -0.74 3.34 -0.10 1.61 -0.14 -0.57 -4.37 119.74 118.77 3bzb s LYS 81 Ca 0.00 -0.44 -0.19 0.00 -1.36 0.00 0.00 55.97 53.97 3bzb s LYS 81 Cb 0.00 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 3bzb s LYS 81 CO 0.00 0.03 0.53 0.95 -0.76 0.00 0.00 175.35 176.11 3bzb s THR 82 N -2.36 5.14 -0.05 2.17 -4.23 -1.26 -1.51 115.64 113.54 3bzb s THR 82 Ca 0.42 1.08 0.04 0.00 -1.18 0.00 0.00 61.69 62.05 3bzb s THR 82 Cb -0.10 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.87 3bzb s THR 82 CO 0.36 0.32 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.92 3bzb s VAL 83 N 0.60 1.30 -0.10 2.29 1.01 0.43 -1.01 120.40 124.92 3bzb s VAL 83 Ca 0.29 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3bzb s VAL 83 Cb -0.16 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.11 3bzb s VAL 83 CO 0.12 0.38 -0.11 0.00 0.00 0.00 0.00 175.10 175.50 3bzb s GLU 85 N 1.19 3.80 -0.03 0.00 2.12 -0.47 -0.50 118.70 124.81 3bzb s GLU 85 Ca -0.04 -0.42 -0.17 0.00 0.36 0.00 0.00 54.97 54.70 3bzb s GLU 85 Cb -0.14 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 3bzb s GLU 85 CO -0.03 0.01 0.48 -0.51 -0.54 0.00 0.00 175.26 174.67 3bzb s LEU 86 N 1.09 4.41 -1.15 2.70 1.43 -0.81 -1.19 118.68 125.17 3bzb s LEU 86 Ca 0.04 0.98 -0.25 0.00 -1.03 0.00 0.00 54.13 53.88 3bzb s LEU 86 Cb -0.14 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.38 3bzb s LEU 86 CO 0.03 0.18 0.76 0.61 0.23 0.00 0.00 176.35 178.16 3bzb n GLY 87 N 2.38 -0.96 0.04 -3.19 0.00 -1.00 -4.59 105.19 97.88 3bzb n GLY 87 Ca -0.10 0.42 0.03 0.00 0.00 0.00 0.00 46.02 46.37 3bzb n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bzb n ALA 88 N -4.42 1.07 -0.65 4.61 0.00 0.68 -4.89 120.51 116.91 3bzb n ALA 88 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3bzb n ALA 88 Cb 0.58 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3bzb n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bzb n GLY 89 N -1.32 3.44 0.23 0.00 0.00 -1.26 -0.81 105.19 105.48 3bzb n GLY 89 Ca -0.00 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3bzb n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bzb h ALA 90 N -0.65 1.07 0.00 4.61 0.00 -1.91 -3.41 119.26 118.97 3bzb h ALA 90 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3bzb h ALA 90 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3bzb h ALA 90 CO 0.00 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.90 3bzb n GLY 91 N -0.03 1.23 0.50 0.00 0.00 0.01 -4.60 105.19 102.30 3bzb n GLY 91 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3bzb n GLY 91 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bzb h LEU 92 N 0.00 -1.43 -1.22 0.99 5.85 -1.92 -1.39 115.31 116.19 3bzb h LEU 92 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3bzb h LEU 92 Cb 0.00 0.48 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3bzb h LEU 92 CO 0.00 -0.66 0.50 0.58 -0.34 0.00 0.00 178.44 178.52 3bzb h VAL 93 N -0.97 1.20 -0.60 1.05 2.07 -1.87 -0.63 116.25 116.50 3bzb h VAL 93 Ca -0.05 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 3bzb h VAL 93 Cb 0.86 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3bzb h VAL 93 CO -0.10 0.20 0.18 0.28 0.02 0.00 0.00 177.57 178.15 3bzb h SER 94 N 1.05 0.87 -0.05 0.57 0.02 -1.87 0.31 113.55 114.45 3bzb h SER 94 Ca 0.28 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3bzb h SER 94 Cb -0.10 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.21 3bzb h SER 94 CO -0.06 0.85 0.03 0.40 -1.14 0.00 0.00 176.83 176.91 3bzb h ILE 95 N 0.85 1.04 -0.13 3.27 2.04 -0.10 -0.27 117.51 124.22 3bzb h ILE 95 Ca 0.19 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3bzb h ILE 95 Cb 0.29 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3bzb h ILE 95 CO -0.01 0.04 0.07 0.58 0.00 0.00 0.00 178.15 178.83 3bzb h VAL 96 N 0.03 1.00 -0.62 1.67 2.07 -1.00 -0.45 116.25 118.95 3bzb h VAL 96 Ca 0.02 -0.05 0.13 0.00 0.82 0.00 0.00 66.70 67.62 3bzb h VAL 96 Cb 0.03 0.85 -0.11 0.00 -1.52 0.00 0.00 31.29 30.54 3bzb h VAL 96 CO -0.00 0.03 -0.03 0.00 0.02 0.00 0.00 177.57 177.58 3bzb h ALA 97 N 1.06 0.57 0.64 1.67 0.00 -0.20 0.51 119.26 123.51 3bzb h ALA 97 Ca 0.05 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3bzb h ALA 97 Cb 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3bzb h ALA 97 CO -0.03 -0.40 -0.50 0.35 0.00 0.00 0.00 179.25 178.66 3bzb h PHE 98 N 0.09 -1.36 0.00 0.00 3.57 -0.56 -2.31 116.94 116.37 3bzb h PHE 98 Ca 0.32 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3bzb h PHE 98 Cb 0.52 0.51 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3bzb h PHE 98 CO -0.40 -0.70 0.28 -0.07 -2.23 0.00 0.00 178.31 175.19 3bzb h LEU 99 N -1.10 0.00 -0.41 0.59 3.38 -0.09 0.37 115.31 118.04 3bzb h LEU 99 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3bzb h LEU 99 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3bzb h LEU 99 CO 0.01 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.38 3bzb n ALA 100 N -1.83 2.88 -1.62 1.53 0.00 0.08 -4.95 120.51 116.60 3bzb n ALA 100 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3bzb n ALA 100 Cb 0.32 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3bzb n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bzb n GLY 101 N 1.29 0.96 3.76 0.00 0.00 0.13 -4.36 105.19 106.97 3bzb n GLY 101 Ca 0.14 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 3bzb n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bzb s ALA 102 N -2.55 2.52 -0.61 4.61 0.00 -1.19 0.31 121.76 124.85 3bzb s ALA 102 Ca 0.00 0.88 0.24 0.00 0.00 0.00 0.00 51.96 53.08 3bzb s ALA 102 Cb 0.00 -3.41 0.34 0.00 0.00 0.00 0.00 23.12 20.05 3bzb s ALA 102 CO 0.00 -1.16 1.32 0.38 0.00 0.00 0.00 175.76 176.30 3bzb h ASP 103 N 0.70 0.00 -3.07 0.00 -0.00 -1.47 -3.44 116.42 109.14 3bzb h ASP 103 Ca -0.49 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.03 56.34 3bzb h ASP 103 Cb 1.28 0.00 -0.22 0.00 -0.00 0.00 0.00 39.33 40.39 3bzb h ASP 103 CO 0.55 0.09 -0.05 -1.58 -0.00 0.00 0.00 179.24 178.25 3bzb s GLN 104 N -3.18 0.64 -0.17 4.15 2.00 -1.23 -4.98 119.66 116.89 3bzb s GLN 104 Ca 0.06 1.13 -0.01 0.00 -2.00 0.00 0.00 55.36 54.53 3bzb s GLN 104 Cb 0.13 0.11 -0.01 0.00 0.80 0.00 0.00 33.01 34.04 3bzb s GLN 104 CO 0.72 -0.15 -0.11 0.08 -0.50 0.00 0.00 175.29 175.33 3bzb s VAL 105 N 1.57 2.98 -0.40 1.34 1.01 -1.26 -0.43 120.40 125.21 3bzb s VAL 105 Ca -0.10 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 3bzb s VAL 105 Cb -0.06 -2.29 0.11 0.00 0.00 0.00 0.00 36.38 34.14 3bzb s VAL 105 CO -0.18 0.49 0.19 -0.69 0.00 0.00 0.00 175.10 174.91 3bzb s VAL 106 N 0.96 3.24 -0.07 2.92 1.01 0.43 -1.22 120.40 127.67 3bzb s VAL 106 Ca -0.02 -2.04 -0.21 0.00 0.00 0.00 0.00 61.98 59.72 3bzb s VAL 106 Cb -0.15 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3bzb s VAL 106 CO -0.01 -0.66 0.59 0.00 0.00 0.00 0.00 175.10 175.02 3bzb s ALA 107 N 1.14 3.42 0.10 5.51 0.00 0.09 -1.36 121.76 130.66 3bzb s ALA 107 Ca 0.08 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.09 3bzb s ALA 107 Cb -0.22 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3bzb s ALA 107 CO -0.04 0.00 -0.16 0.95 0.00 0.00 0.00 175.76 176.51 3bzb s THR 108 N 0.48 1.39 0.32 0.00 -4.23 -0.33 -1.61 115.64 111.67 3bzb s THR 108 Ca 0.32 -1.54 -0.05 0.00 -1.18 0.00 0.00 61.69 59.24 3bzb s THR 108 Cb -0.17 -1.40 0.02 0.00 1.34 0.00 0.00 72.50 72.29 3bzb s THR 108 CO 0.15 -0.24 0.50 -0.67 -0.54 0.00 0.00 174.62 173.82 3bzb n ASP 109 N 0.93 -1.42 -4.77 3.99 4.64 -1.19 -0.23 116.55 118.50 3bzb n ASP 109 Ca -0.18 -2.62 -0.40 0.00 -1.38 0.00 0.00 54.79 50.21 3bzb n ASP 109 Cb 0.55 2.55 -0.00 0.00 -1.04 0.00 0.00 41.12 43.18 3bzb n ASP 109 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 3bzb s TYR 110 N -3.12 2.79 -1.05 -0.67 6.14 -1.26 -1.03 117.35 119.15 3bzb s TYR 110 Ca 0.23 1.39 -0.25 0.00 0.64 0.00 0.00 57.07 59.08 3bzb s TYR 110 Cb -0.02 -3.70 -0.15 0.00 0.42 0.00 0.00 41.96 38.52 3bzb s TYR 110 CO 0.16 -2.17 2.08 -1.25 0.64 0.00 0.00 175.55 175.01 3bzb s PRO 111 N -2.24 1.82 -0.15 4.97 0.04 -1.26 -4.71 135.00 133.47 3bzb s PRO 111 Ca 0.57 -0.51 -0.03 0.00 0.04 0.00 0.00 61.00 61.07 3bzb s PRO 111 Cb -0.39 -5.04 0.05 0.00 0.04 0.00 0.00 34.50 29.16 3bzb s PRO 111 CO 0.50 -4.61 0.06 0.34 0.04 0.00 0.00 177.00 173.32 3bzb s ASP 112 N 8.19 2.26 0.24 6.66 3.68 -1.26 -5.06 116.67 131.38 3bzb s ASP 112 Ca 0.78 -0.52 -0.11 0.00 2.13 0.00 0.00 52.55 54.83 3bzb s ASP 112 Cb -0.05 -0.36 0.33 0.00 -1.45 0.00 0.00 42.92 41.39 3bzb s ASP 112 CO 0.13 -0.30 1.61 -0.65 0.13 0.00 0.00 175.17 176.08 3bzb h PRO 113 N 8.36 0.01 -0.35 4.34 0.11 -1.99 -0.96 132.00 141.52 3bzb h PRO 113 Ca -0.16 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.03 3bzb h PRO 113 Cb 1.13 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 3bzb h PRO 113 CO 0.28 0.01 -0.14 0.93 -0.21 0.00 0.00 178.00 178.87 3bzb h GLU 114 N 0.01 -0.07 0.10 1.05 5.08 -1.97 -0.55 114.58 118.23 3bzb h GLU 114 Ca 0.37 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.46 3bzb h GLU 114 Cb 0.58 0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.87 3bzb h GLU 114 CO -0.77 -0.04 -1.12 -0.84 -1.00 0.00 0.00 179.01 175.24 3bzb h ILE 115 N -0.07 1.32 -0.20 3.13 3.07 -1.71 -3.10 117.51 119.95 3bzb h ILE 115 Ca 0.18 -2.40 -0.01 0.00 1.55 0.00 0.00 64.86 64.17 3bzb h ILE 115 Cb 0.34 2.70 -0.01 0.00 -0.27 0.00 0.00 36.82 39.58 3bzb h ILE 115 CO -0.40 0.72 0.08 -0.07 -1.05 0.00 0.00 178.15 177.43 3bzb h LEU 116 N 0.19 0.28 -0.60 0.16 3.38 -1.14 0.16 115.31 117.74 3bzb h LEU 116 Ca -0.17 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.71 3bzb h LEU 116 Cb 1.81 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 42.42 3bzb h LEU 116 CO 0.22 0.37 0.26 0.78 0.09 0.00 0.00 178.44 180.16 3bzb h ASN 117 N 0.17 0.31 0.54 -0.43 2.35 -1.18 0.29 115.58 117.63 3bzb h ASN 117 Ca 0.07 0.06 -0.24 0.00 -0.55 0.00 0.00 56.30 55.64 3bzb h ASN 117 Cb 0.18 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 3bzb h ASN 117 CO -0.01 0.20 -1.04 0.77 -1.65 0.00 0.00 177.43 175.70 3bzb h SER 118 N 0.47 0.40 -0.46 5.81 4.64 -1.49 0.16 113.55 123.08 3bzb h SER 118 Ca 0.29 -0.36 0.09 0.00 -0.47 0.00 0.00 61.79 61.34 3bzb h SER 118 Cb 0.30 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.17 3bzb h SER 118 CO -0.25 1.21 -0.21 0.25 -0.87 0.00 0.00 176.83 176.96 3bzb h LEU 119 N 0.13 -0.73 -0.38 5.97 5.85 -0.67 0.13 115.31 125.62 3bzb h LEU 119 Ca -0.09 0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 3bzb h LEU 119 Cb 1.72 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 43.14 3bzb h LEU 119 CO 0.17 -0.24 -0.28 -0.08 -0.34 0.00 0.00 178.44 177.67 3bzb h GLU 120 N -0.11 0.85 -0.72 1.25 4.81 -0.77 -0.80 114.58 119.09 3bzb h GLU 120 Ca 0.22 -0.41 0.07 0.00 -0.13 0.00 0.00 59.36 59.10 3bzb h GLU 120 Cb 0.45 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 3bzb h GLU 120 CO -0.54 1.06 0.41 1.03 -0.73 0.00 0.00 179.01 180.24 3bzb h SER 121 N 0.66 0.61 -0.28 1.04 0.87 -0.35 0.18 113.55 116.28 3bzb h SER 121 Ca 0.07 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 3bzb h SER 121 Cb 0.85 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 3bzb h SER 121 CO 0.07 0.38 -0.09 0.78 -0.53 0.00 0.00 176.83 177.44 3bzb h ASN 122 N 0.74 0.57 -0.57 6.23 2.35 -0.59 -2.14 115.58 122.17 3bzb h ASN 122 Ca 0.33 -0.38 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 3bzb h ASN 122 Cb 0.22 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3bzb h ASN 122 CO -0.19 0.82 -0.01 0.40 -1.65 0.00 0.00 177.43 176.79 3bzb h ILE 123 N 0.31 1.27 -0.47 2.81 2.04 -0.80 -3.07 117.51 119.59 3bzb h ILE 123 Ca 0.07 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 3bzb h ILE 123 Cb 0.59 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3bzb h ILE 123 CO 0.03 0.41 -0.02 -0.09 0.00 0.00 0.00 178.15 178.48 3bzb h ARG 124 N 0.90 0.85 0.00 2.37 2.43 -0.67 -2.83 114.38 117.43 3bzb h ARG 124 Ca 0.16 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3bzb h ARG 124 Cb 0.57 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3bzb h ARG 124 CO 0.03 0.91 0.00 0.39 -1.51 0.00 0.00 179.97 179.79 3bzb n GLU 125 N -4.33 0.13 -2.08 0.20 1.02 -0.80 -1.83 120.64 112.95 3bzb n GLU 125 Ca 0.00 0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.17 3bzb n GLU 125 Cb 0.33 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.30 3bzb n GLU 125 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3bzb n HIS 126 N -1.05 0.96 -3.45 -0.32 8.25 -1.07 -5.02 115.22 113.53 3bzb n HIS 126 Ca 0.03 -1.58 -0.18 0.00 -0.26 0.00 0.00 57.72 55.73 3bzb n HIS 126 Cb 0.02 -0.22 -0.11 0.00 1.12 0.00 0.00 29.99 30.79 3bzb n HIS 126 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3bzb s THR 127 N -2.70 -0.36 -0.36 1.59 2.01 -0.76 -4.95 115.64 110.12 3bzb s THR 127 Ca 0.34 -0.34 0.07 0.00 0.31 0.00 0.00 61.69 62.07 3bzb s THR 127 Cb 0.36 -0.85 0.44 0.00 0.01 0.00 0.00 72.50 72.46 3bzb s THR 127 CO -0.07 -0.37 1.15 0.00 -0.69 0.00 0.00 174.62 174.64 3bzb n ALA 128 N 5.31 4.96 0.00 7.40 0.00 -1.26 -4.94 120.51 131.98 3bzb n ALA 128 Ca -0.04 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.39 3bzb n ALA 128 Cb 0.47 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3bzb n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bzb n ALA 139 N -0.59 0.00 -1.77 0.00 0.00 -1.26 -5.27 120.51 111.63 3bzb n ALA 139 Ca 0.40 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 3bzb n ALA 139 Cb 0.82 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.27 3bzb n ALA 139 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3bzb s SER 140 N 0.00 5.63 0.73 0.00 1.04 -1.26 -4.85 113.70 114.98 3bzb s SER 140 Ca 0.00 2.21 -0.14 0.00 0.48 0.00 0.00 55.95 58.50 3bzb s SER 140 Cb 0.00 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 63.57 3bzb s SER 140 CO 0.00 -1.29 1.17 -2.16 0.98 0.00 0.00 173.24 171.94 3bzb s PRO 141 N -3.30 2.25 -0.01 4.02 0.04 -1.26 -4.84 135.00 131.89 3bzb s PRO 141 Ca 0.73 1.61 0.03 0.00 0.04 0.00 0.00 61.00 63.41 3bzb s PRO 141 Cb -0.25 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3bzb s PRO 141 CO 0.28 -1.72 -0.06 0.15 0.04 0.00 0.00 177.00 175.70 3bzb s LYS 142 N -4.06 2.62 -0.22 4.56 1.02 -0.36 -5.01 119.74 118.29 3bzb s LYS 142 Ca 0.71 -0.68 -0.05 0.00 0.02 0.00 0.00 55.97 55.98 3bzb s LYS 142 Cb -0.26 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.50 3bzb s LYS 142 CO 0.46 0.62 -0.02 0.08 -0.92 0.00 0.00 175.35 175.57 3bzb s VAL 143 N -0.98 3.65 -0.02 3.17 1.01 -1.26 -0.73 120.40 125.24 3bzb s VAL 143 Ca 0.17 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3bzb s VAL 143 Cb -0.11 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 3bzb s VAL 143 CO 0.07 0.41 -0.10 -0.69 0.00 0.00 0.00 175.10 174.79 3bzb s VAL 144 N 1.40 0.84 0.43 2.92 1.01 -0.64 -5.00 120.40 121.36 3bzb s VAL 144 Ca 0.05 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 3bzb s VAL 144 Cb -0.14 -0.71 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 3bzb s VAL 144 CO -0.01 0.24 1.05 -2.16 0.00 0.00 0.00 175.10 174.23 3bzb s PRO 145 N -0.09 4.02 -0.29 2.72 0.04 -1.26 -3.17 135.00 136.97 3bzb s PRO 145 Ca 0.01 1.48 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 3bzb s PRO 145 Cb -0.06 -2.39 0.12 0.00 0.04 0.00 0.00 34.50 32.22 3bzb s PRO 145 CO -0.00 -0.27 0.74 -0.47 0.04 0.00 0.00 177.00 177.04 3bzb s TYR 146 N -1.75 -1.11 -0.13 0.56 5.04 -0.20 -4.85 117.35 114.91 3bzb s TYR 146 Ca 0.61 2.01 -0.16 0.00 -2.44 0.00 0.00 57.07 57.09 3bzb s TYR 146 Cb -0.21 0.67 -0.04 0.00 0.35 0.00 0.00 41.96 42.73 3bzb s TYR 146 CO 0.26 -0.55 0.40 0.50 -1.34 0.00 0.00 175.55 174.81 3bzb s ARG 147 N 2.40 4.29 0.16 4.97 3.52 -1.26 -4.09 118.95 128.94 3bzb s ARG 147 Ca -0.07 0.30 -0.34 0.00 -0.13 0.00 0.00 55.73 55.49 3bzb s ARG 147 Cb -0.09 -3.42 -0.14 0.00 -1.56 0.00 0.00 34.95 29.74 3bzb s ARG 147 CO -0.19 0.21 1.58 0.91 -0.81 0.00 0.00 175.30 177.00 3bzb n TRP 148 N 3.56 2.28 0.00 5.12 8.01 -1.26 -2.00 117.44 133.15 3bzb n TRP 148 Ca -0.09 0.27 0.00 0.00 -1.31 0.00 0.00 57.50 56.36 3bzb n TRP 148 Cb 0.52 -2.54 0.00 0.00 -2.01 0.00 0.00 31.31 27.27 3bzb n TRP 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bzb n GLY 149 N 3.41 3.38 3.77 6.99 0.00 -1.08 -4.83 105.19 116.83 3bzb n GLY 149 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3bzb n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bzb s ASP 150 N -0.58 6.59 0.25 1.61 -0.00 -0.85 -4.87 116.67 118.82 3bzb s ASP 150 Ca 0.00 2.51 -0.31 0.00 -0.00 0.00 0.00 52.55 54.75 3bzb s ASP 150 Cb 0.00 -2.63 -0.13 0.00 -0.00 0.00 0.00 42.92 40.16 3bzb s ASP 150 CO 0.00 -0.64 1.46 -1.54 -0.00 0.00 0.00 175.17 174.44 3bzb n SER 151 N 0.37 3.01 -0.75 0.27 3.41 -1.26 -4.85 113.62 113.82 3bzb n SER 151 Ca 0.03 1.14 0.02 0.00 -0.26 0.00 0.00 58.87 59.79 3bzb n SER 151 Cb 0.44 -1.46 0.08 0.00 -0.26 0.00 0.00 64.21 63.01 3bzb n SER 151 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3bzb n PRO 152 N 2.11 1.78 -0.20 4.33 -0.05 -1.26 -4.46 135.00 137.26 3bzb n PRO 152 Ca 0.11 -0.65 -0.01 0.00 -0.05 0.00 0.00 63.50 62.90 3bzb n PRO 152 Cb 0.33 -1.61 0.06 0.00 -0.05 0.00 0.00 33.50 32.23 3bzb n PRO 152 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 3bzb h ASP 153 N 0.85 -0.49 -0.18 3.54 3.45 -1.98 0.33 116.42 121.94 3bzb h ASP 153 Ca 0.00 0.17 -0.11 0.00 0.43 0.00 0.00 57.03 57.52 3bzb h ASP 153 Cb 0.76 0.35 -0.01 0.00 -0.56 0.00 0.00 39.33 39.86 3bzb h ASP 153 CO 0.09 -0.18 -0.26 0.77 -1.57 0.00 0.00 179.24 178.09 3bzb h SER 154 N 0.02 0.66 -0.47 6.45 4.64 -1.99 0.12 113.55 122.98 3bzb h SER 154 Ca 0.29 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 3bzb h SER 154 Cb 0.45 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3bzb h SER 154 CO -0.59 0.90 -0.05 0.25 -0.87 0.00 0.00 176.83 176.47 3bzb h LEU 155 N 0.56 0.90 -0.82 5.97 6.46 -1.37 -1.14 115.31 125.86 3bzb h LEU 155 Ca 0.07 -0.26 -0.07 0.00 -0.12 0.00 0.00 57.88 57.50 3bzb h LEU 155 Cb 0.75 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 3bzb h LEU 155 CO 0.06 0.99 -0.34 1.56 -0.62 0.00 0.00 178.44 180.08 3bzb h GLN 156 N 0.83 0.00 -0.25 1.25 4.20 -0.08 -2.73 115.11 118.34 3bzb h GLN 156 Ca 0.15 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 3bzb h GLN 156 Cb 0.57 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 3bzb h GLN 156 CO 0.03 0.34 -0.24 -0.09 -0.67 0.00 0.00 178.83 178.21 3bzb h ARG 157 N 0.00 0.60 0.00 1.46 2.43 -0.36 -2.35 114.38 116.16 3bzb h ARG 157 Ca -0.00 -0.32 -0.09 0.00 -0.81 0.00 0.00 59.98 58.76 3bzb h ARG 157 Cb 0.93 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 3bzb h ARG 157 CO 0.04 0.91 -0.44 0.00 -1.51 0.00 0.00 179.97 178.98 3bzb n THR 159 N -3.38 0.15 0.00 0.00 -2.24 -1.04 -5.01 114.28 102.75 3bzb n THR 159 Ca 0.01 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3bzb n THR 159 Cb 0.61 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3bzb n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bzb n GLY 160 N 2.54 1.37 3.76 3.38 0.00 -0.88 -5.04 105.19 110.31 3bzb n GLY 160 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3bzb n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bzb s LEU 161 N 0.00 4.34 -0.09 0.99 1.43 -1.25 -4.99 118.68 119.10 3bzb s LEU 161 Ca 0.00 0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 53.80 3bzb s LEU 161 Cb 0.00 -2.63 -0.11 0.00 0.03 0.00 0.00 46.19 43.48 3bzb s LEU 161 CO 0.00 0.12 0.44 1.56 0.23 0.00 0.00 176.35 178.70 3bzb h GLN 162 N 6.04 -0.09 -5.04 1.70 1.08 -1.96 -3.37 115.11 113.48 3bzb h GLN 162 Ca -0.44 0.01 -0.58 0.00 -1.45 0.00 0.00 58.65 56.18 3bzb h GLN 162 Cb 1.19 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 28.51 3bzb h GLN 162 CO 0.71 0.27 -0.50 1.03 -0.95 0.00 0.00 178.83 179.39 3bzb s ARG 163 N -2.28 1.99 -0.00 1.46 0.52 -1.26 -4.85 118.95 114.53 3bzb s ARG 163 Ca -0.08 -2.23 0.02 0.00 -0.52 0.00 0.00 55.73 52.91 3bzb s ARG 163 Cb -0.01 -0.64 -0.01 0.00 0.52 0.00 0.00 34.95 34.82 3bzb s ARG 163 CO 0.30 -0.51 -0.06 -0.06 0.02 0.00 0.00 175.30 174.99 3bzb s PHE 164 N -3.16 0.51 0.05 -0.53 0.40 0.77 -4.83 117.98 111.19 3bzb s PHE 164 Ca 0.21 -0.12 -0.20 0.00 -0.60 0.00 0.00 56.93 56.22 3bzb s PHE 164 Cb 0.02 -0.33 -0.13 0.00 0.51 0.00 0.00 43.02 43.09 3bzb s PHE 164 CO 0.14 -0.01 1.41 1.96 0.70 0.00 0.00 175.22 179.42 3bzb h GLN 165 N 5.90 0.35 -6.13 0.44 4.20 -1.77 -0.16 115.11 117.94 3bzb h GLN 165 Ca -0.29 -0.15 -0.69 0.00 0.06 0.00 0.00 58.65 57.58 3bzb h GLN 165 Cb 1.19 -0.01 -0.29 0.00 0.30 0.00 0.00 27.48 28.67 3bzb h GLN 165 CO 0.49 0.66 -0.85 0.08 -0.67 0.00 0.00 178.83 178.54 3bzb s VAL 166 N -4.59 2.33 -0.10 -0.54 1.01 -0.18 -1.50 120.40 116.82 3bzb s VAL 166 Ca -0.14 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.87 3bzb s VAL 166 Cb 0.06 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.59 3bzb s VAL 166 CO 0.74 0.57 -0.13 -0.69 0.00 0.00 0.00 175.10 175.60 3bzb s VAL 167 N -0.31 1.32 -0.19 2.92 1.01 -0.74 -1.81 120.40 122.59 3bzb s VAL 167 Ca 0.01 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3bzb s VAL 167 Cb -0.13 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3bzb s VAL 167 CO 0.02 0.41 0.03 -0.76 0.00 0.00 0.00 175.10 174.80 3bzb s LEU 168 N 1.12 3.47 -0.59 3.92 1.43 0.34 -0.23 118.68 128.14 3bzb s LEU 168 Ca -0.05 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3bzb s LEU 168 Cb -0.14 -1.88 0.18 0.00 0.03 0.00 0.00 46.19 44.37 3bzb s LEU 168 CO -0.03 0.10 0.46 0.18 0.23 0.00 0.00 176.35 177.30 3bzb n LEU 169 N 3.99 1.77 -4.67 1.79 4.77 -0.11 -1.92 117.00 122.61 3bzb n LEU 169 Ca -0.17 -4.92 -0.43 0.00 -0.03 0.00 0.00 56.01 50.46 3bzb n LEU 169 Cb 0.52 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3bzb n LEU 169 CO 0.33 1.83 0.94 0.00 -1.33 0.00 0.00 177.39 179.15 3bzb s ALA 170 N -1.01 3.59 -1.39 -1.18 0.00 -1.26 -1.83 121.76 118.68 3bzb s ALA 170 Ca 0.29 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.55 3bzb s ALA 170 Cb 0.01 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.62 3bzb s ALA 170 CO -0.17 -0.94 0.46 -0.25 0.00 0.00 0.00 175.76 174.86 3bzb n ASP 171 N 5.95 -4.84 -1.08 0.00 8.00 0.09 -4.82 116.55 119.84 3bzb n ASP 171 Ca 0.12 -0.26 0.09 0.00 0.71 0.00 0.00 54.79 55.44 3bzb n ASP 171 Cb 0.46 -3.97 0.25 0.00 -0.02 0.00 0.00 41.12 37.84 3bzb n ASP 171 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3bzb n LEU 172 N -3.72 3.15 0.00 0.64 4.77 -1.26 -4.56 117.00 116.02 3bzb n LEU 172 Ca -0.08 -1.58 0.10 0.00 -0.03 0.00 0.00 56.01 54.42 3bzb n LEU 172 Cb 0.59 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 3bzb n LEU 172 CO 0.45 0.72 0.01 0.18 -1.33 0.00 0.00 177.39 177.42 3bzb n LEU 173 N 1.05 0.84 -0.22 2.23 4.77 -1.26 -4.46 117.00 119.95 3bzb n LEU 173 Ca 0.19 -0.36 -0.03 0.00 -0.03 0.00 0.00 56.01 55.78 3bzb n LEU 173 Cb 0.52 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.65 3bzb n LEU 173 CO 0.14 0.20 1.08 0.28 -1.33 0.00 0.00 177.39 177.77 3bzb h SER 174 N 0.00 0.53 -3.27 -1.43 0.02 -1.97 -3.37 113.55 104.06 3bzb h SER 174 Ca 0.00 0.02 -0.65 0.00 -0.84 0.00 0.00 61.79 60.32 3bzb h SER 174 Cb 0.54 -0.08 -0.15 0.00 0.14 0.00 0.00 62.40 62.84 3bzb h SER 174 CO 0.00 0.35 0.27 0.12 -1.14 0.00 0.00 176.83 176.43 3bzb s PHE 175 N -6.11 2.94 0.24 3.45 2.19 -1.26 -4.93 117.98 114.51 3bzb s PHE 175 Ca -0.13 -0.27 -0.06 0.00 0.33 0.00 0.00 56.93 56.80 3bzb s PHE 175 Cb 0.15 -3.74 0.25 0.00 -1.31 0.00 0.00 43.02 38.37 3bzb s PHE 175 CO 0.75 -1.15 1.83 0.45 1.83 0.00 0.00 175.22 178.94 3bzb h HIS 176 N 9.11 1.15 0.00 10.12 3.86 -1.94 -2.76 115.15 134.69 3bzb h HIS 176 Ca -0.27 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 3bzb h HIS 176 Cb 1.09 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.20 3bzb h HIS 176 CO 0.82 0.84 0.00 1.04 0.86 0.00 0.00 177.93 181.48 3bzb n GLN 177 N -4.31 0.14 0.00 2.45 1.13 -1.26 -0.30 117.38 115.24 3bzb n GLN 177 Ca 0.08 0.11 0.06 0.00 -1.94 0.00 0.00 57.00 55.31 3bzb n GLN 177 Cb 0.15 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.01 3bzb n GLN 177 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3bzb n ALA 178 N -1.14 2.80 -0.36 -1.58 0.00 -1.04 -4.65 120.51 114.53 3bzb n ALA 178 Ca 0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 3bzb n ALA 178 Cb 0.04 -0.39 0.12 0.00 0.00 0.00 0.00 19.45 19.21 3bzb n ALA 178 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bzb h HIS 179 N 1.50 1.24 0.46 0.00 3.86 -0.75 -0.98 115.15 120.47 3bzb h HIS 179 Ca 0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3bzb h HIS 179 Cb 0.41 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3bzb h HIS 179 CO 0.00 0.80 -0.22 0.22 0.86 0.00 0.00 177.93 179.59 3bzb h ASP 180 N 1.32 -0.52 -0.40 2.45 1.82 -1.83 -0.80 116.42 118.47 3bzb h ASP 180 Ca 0.35 -0.05 0.07 0.00 -0.39 0.00 0.00 57.03 57.01 3bzb h ASP 180 Cb -0.11 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 3bzb h ASP 180 CO -0.07 -0.27 0.27 0.00 -1.61 0.00 0.00 179.24 177.56 3bzb h ALA 181 N -0.27 2.07 0.00 -0.78 0.00 -1.81 -0.50 119.26 117.97 3bzb h ALA 181 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3bzb h ALA 181 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3bzb h ALA 181 CO 0.10 -0.15 -0.00 1.25 0.00 0.00 0.00 179.25 180.45 3bzb h LEU 182 N 0.24 -0.00 -0.07 0.00 6.46 -1.00 -1.33 115.31 119.60 3bzb h LEU 182 Ca 0.18 -0.35 0.04 0.00 -0.12 0.00 0.00 57.88 57.63 3bzb h LEU 182 Cb 0.40 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 3bzb h LEU 182 CO -0.03 0.35 -0.34 0.25 -0.62 0.00 0.00 178.44 178.04 3bzb h LEU 183 N -0.35 -1.05 -1.16 2.25 5.85 0.14 -1.12 115.31 119.88 3bzb h LEU 183 Ca -0.00 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3bzb h LEU 183 Cb 0.35 0.43 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 3bzb h LEU 183 CO 0.00 -0.39 0.58 0.03 -0.34 0.00 0.00 178.44 178.33 3bzb h ARG 184 N -0.45 0.98 -0.29 1.25 3.08 -1.17 -0.30 114.38 117.47 3bzb h ARG 184 Ca 0.08 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.11 3bzb h ARG 184 Cb 0.57 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 3bzb h ARG 184 CO -0.32 0.65 0.06 0.77 -1.07 0.00 0.00 179.97 180.06 3bzb h SER 185 N 1.01 0.02 -0.26 7.04 0.02 -0.56 -2.94 113.55 117.88 3bzb h SER 185 Ca 0.39 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.36 3bzb h SER 185 Cb 0.21 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3bzb h SER 185 CO -0.15 0.05 0.06 0.58 -1.14 0.00 0.00 176.83 176.22 3bzb h VAL 186 N 0.17 1.22 0.00 2.27 2.07 0.02 -0.11 116.25 121.89 3bzb h VAL 186 Ca 0.14 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3bzb h VAL 186 Cb 0.14 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3bzb h VAL 186 CO -0.18 0.23 0.00 0.29 0.02 0.00 0.00 177.57 177.94 3bzb n LYS 187 N -4.70 0.00 0.00 1.57 5.02 -0.25 -0.55 118.16 119.24 3bzb n LYS 187 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3bzb n LYS 187 Cb 0.19 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 3bzb n LYS 187 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3bzb n LEU 189 N 0.24 0.00 -4.74 -0.35 4.77 -0.05 -4.99 117.00 111.87 3bzb n LEU 189 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 3bzb n LEU 189 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3bzb n LEU 189 CO 0.00 0.00 0.78 -0.22 -1.33 0.00 0.00 177.39 176.62 3bzb s LEU 190 N 0.00 4.51 0.27 2.23 2.96 0.28 -0.16 118.68 128.77 3bzb s LEU 190 Ca 0.00 2.10 -0.31 0.00 -0.22 0.00 0.00 54.13 55.71 3bzb s LEU 190 Cb 0.00 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 42.97 3bzb s LEU 190 CO 0.00 -0.18 1.65 0.00 -1.32 0.00 0.00 176.35 176.51 3bzb n ALA 191 N 2.12 2.74 -1.82 5.97 0.00 -0.07 -4.65 120.51 124.80 3bzb n ALA 191 Ca 0.02 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 3bzb n ALA 191 Cb 0.46 -2.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 3bzb n ALA 191 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bzb s LEU 192 N 0.10 4.45 0.33 0.00 1.43 -1.26 -4.79 118.68 118.93 3bzb s LEU 192 Ca 0.68 2.55 0.10 0.00 -1.03 0.00 0.00 54.13 56.42 3bzb s LEU 192 Cb -0.49 -3.64 0.88 0.00 0.03 0.00 0.00 46.19 42.97 3bzb s LEU 192 CO 0.43 -0.46 1.75 1.55 0.23 0.00 0.00 176.35 179.85 3bzb h PRO 193 N 3.95 0.59 -0.80 1.29 0.13 -1.94 -0.73 132.00 134.50 3bzb h PRO 193 Ca -0.47 -0.04 0.19 0.00 -0.87 0.00 0.00 66.00 64.80 3bzb h PRO 193 Cb 1.22 -0.13 -0.14 0.00 0.13 0.00 0.00 31.00 32.07 3bzb h PRO 193 CO 0.69 0.39 -0.02 0.00 -0.23 0.00 0.00 178.00 178.83 3bzb h ALA 194 N 1.68 0.81 0.00 -0.56 0.00 -1.99 -3.10 119.26 116.10 3bzb h ALA 194 Ca 0.61 0.27 -0.09 0.00 0.00 0.00 0.00 54.91 55.70 3bzb h ALA 194 Cb 1.16 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3bzb h ALA 194 CO -0.41 -0.44 -0.74 -0.91 0.00 0.00 0.00 179.25 176.75 3bzb h ASN 195 N 0.08 0.00 -3.71 0.00 2.35 -1.71 -3.45 115.58 109.14 3bzb h ASN 195 Ca 0.44 -0.25 -0.67 0.00 -0.55 0.00 0.00 56.30 55.28 3bzb h ASN 195 Cb 0.78 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.76 3bzb h ASN 195 CO -0.73 1.03 -0.72 -0.62 -1.65 0.00 0.00 177.43 174.75 3bzb s ASP 196 N -6.18 4.76 0.44 5.81 -1.08 -0.37 -4.95 116.67 115.10 3bzb s ASP 196 Ca -0.19 -1.98 0.24 0.00 -0.52 0.00 0.00 52.55 50.10 3bzb s ASP 196 Cb 0.03 -1.63 0.89 0.00 -1.46 0.00 0.00 42.92 40.75 3bzb s ASP 196 CO 0.37 -0.36 1.81 1.55 0.52 0.00 0.00 175.17 179.07 3bzb h PRO 197 N 7.69 0.00 -0.66 4.34 0.13 -1.80 -2.90 132.00 138.80 3bzb h PRO 197 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3bzb h PRO 197 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3bzb h PRO 197 CO 0.52 0.21 0.00 -2.37 -0.23 0.00 0.00 178.00 176.13 3bzb n THR 198 N -3.34 1.57 -1.93 1.56 5.66 -1.26 -4.97 114.28 111.57 3bzb n THR 198 Ca 0.00 -1.07 -0.41 0.00 -3.05 0.00 0.00 64.05 59.52 3bzb n THR 198 Cb 0.44 0.16 -0.01 0.00 -1.55 0.00 0.00 70.33 69.37 3bzb n THR 198 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3bzb s ALA 199 N -1.70 3.55 -0.07 1.79 0.00 -1.09 -4.99 121.76 119.25 3bzb s ALA 199 Ca 0.48 1.45 -0.17 0.00 0.00 0.00 0.00 51.96 53.71 3bzb s ALA 199 Cb 0.30 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.90 3bzb s ALA 199 CO 0.25 -0.89 0.41 0.54 0.00 0.00 0.00 175.76 176.07 3bzb s VAL 200 N -1.07 0.03 -0.19 0.00 0.11 -0.56 -4.67 120.40 114.04 3bzb s VAL 200 Ca 0.52 -0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 59.29 3bzb s VAL 200 Cb -0.44 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 3bzb s VAL 200 CO 0.58 -0.14 -0.08 0.00 -3.33 0.00 0.00 175.10 172.13 3bzb s ALA 201 N -0.83 2.71 -0.38 1.54 0.00 -0.34 -1.80 121.76 122.66 3bzb s ALA 201 Ca -0.09 -1.11 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 3bzb s ALA 201 Cb -0.04 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.57 3bzb s ALA 201 CO 0.04 -0.26 0.30 -0.51 0.00 0.00 0.00 175.76 175.34 3bzb s LEU 202 N 1.18 4.81 -0.22 0.00 1.43 0.69 -0.65 118.68 125.92 3bzb s LEU 202 Ca 0.02 -0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 3bzb s LEU 202 Cb -0.14 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 3bzb s LEU 202 CO -0.03 -0.38 -0.05 -0.69 0.23 0.00 0.00 176.35 175.43 3bzb s VAL 203 N 1.78 3.31 0.07 -1.59 1.01 -1.05 -0.94 120.40 122.99 3bzb s VAL 203 Ca 0.07 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.61 3bzb s VAL 203 Cb -0.18 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3bzb s VAL 203 CO 0.11 0.43 -0.22 0.28 0.00 0.00 0.00 175.10 175.70 3bzb s THR 204 N 1.42 1.77 0.11 3.92 -1.32 -0.76 0.81 115.64 121.59 3bzb s THR 204 Ca 0.05 -1.35 -0.23 0.00 -1.21 0.00 0.00 61.69 58.95 3bzb s THR 204 Cb -0.14 -1.55 0.06 0.00 -1.51 0.00 0.00 72.50 69.36 3bzb s THR 204 CO -0.03 0.14 0.56 0.72 -2.21 0.00 0.00 174.62 173.80 3bzb s PHE 205 N -0.92 -0.48 -0.19 9.09 -0.12 -0.92 -0.73 117.98 123.70 3bzb s PHE 205 Ca 0.08 0.38 -0.06 0.00 -0.05 0.00 0.00 56.93 57.28 3bzb s PHE 205 Cb -0.09 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.73 3bzb s PHE 205 CO 0.03 -0.76 0.02 -0.08 -0.05 0.00 0.00 175.22 174.37 3bzb s THR 206 N -3.24 4.21 -0.13 -4.49 -1.32 -1.26 -0.41 115.64 109.00 3bzb s THR 206 Ca -0.01 -0.23 -0.29 0.00 -1.21 0.00 0.00 61.69 59.94 3bzb s THR 206 Cb -0.00 -2.90 -0.03 0.00 -1.51 0.00 0.00 72.50 68.06 3bzb s THR 206 CO -0.08 0.44 1.46 -2.28 -2.21 0.00 0.00 174.62 171.95 3bzb s HIS 207 N 0.76 2.40 0.00 9.09 2.46 -1.26 -5.01 115.29 123.73 3bzb s HIS 207 Ca 0.01 0.61 0.00 0.00 0.47 0.00 0.00 55.06 56.15 3bzb s HIS 207 Cb -0.14 -3.74 0.00 0.00 -0.13 0.00 0.00 32.58 28.57 3bzb s HIS 207 CO 0.02 -2.74 0.00 -3.47 -2.47 0.00 0.00 174.74 166.08 3bzb n ASP 216 N 7.05 0.00 0.00 9.88 -0.08 -1.26 -4.98 116.55 127.15 3bzb n ASP 216 Ca 0.16 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.52 3bzb n ASP 216 Cb 0.44 0.00 0.47 0.00 2.34 0.00 0.00 41.12 44.37 3bzb n ASP 216 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3bzb n LEU 217 N 0.00 0.00 -0.22 -2.67 4.77 -1.26 -3.96 117.00 113.67 3bzb n LEU 217 Ca 0.00 0.00 0.29 0.00 -0.03 0.00 0.00 56.01 56.27 3bzb n LEU 217 Cb 0.00 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 41.80 3bzb n LEU 217 CO 0.00 0.00 1.27 0.00 -1.33 0.00 0.00 177.39 177.33 3bzb h ALA 218 N 3.03 2.83 -0.62 -1.18 0.00 -1.99 0.27 119.26 121.60 3bzb h ALA 218 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.97 3bzb h ALA 218 Cb 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3bzb h ALA 218 CO 0.00 -1.11 0.28 0.35 0.00 0.00 0.00 179.25 178.77 3bzb h PHE 219 N 0.05 0.50 -0.08 0.00 3.04 -1.96 0.16 116.94 118.65 3bzb h PHE 219 Ca 0.46 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 62.25 3bzb h PHE 219 Cb 1.77 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 40.14 3bzb h PHE 219 CO -0.00 0.18 -0.74 0.74 -2.02 0.00 0.00 178.31 176.47 3bzb h PHE 220 N 0.50 0.58 -0.66 0.41 -1.00 -0.79 -1.41 116.94 114.57 3bzb h PHE 220 Ca 0.30 -0.26 0.11 0.00 2.81 0.00 0.00 57.97 60.94 3bzb h PHE 220 Cb 0.31 -0.09 -0.08 0.00 3.61 0.00 0.00 35.95 39.70 3bzb h PHE 220 CO -0.13 1.02 0.24 0.00 -1.61 0.00 0.00 178.31 177.83 3bzb h ARG 221 N 0.29 0.39 -0.46 1.51 3.08 -1.16 -1.14 114.38 116.89 3bzb h ARG 221 Ca -0.03 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3bzb h ARG 221 Cb 1.32 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 3bzb h ARG 221 CO 0.13 0.26 0.03 1.25 -1.07 0.00 0.00 179.97 180.57 3bzb h LEU 222 N 0.40 0.69 -0.03 3.04 5.85 0.04 -1.05 115.31 124.24 3bzb h LEU 222 Ca 0.35 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3bzb h LEU 222 Cb 0.48 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3bzb h LEU 222 CO -0.36 0.74 -0.01 0.58 -0.34 0.00 0.00 178.44 179.05 3bzb h VAL 223 N 0.69 1.32 -0.31 1.05 2.07 -0.50 -2.80 116.25 117.77 3bzb h VAL 223 Ca 0.14 -0.98 -0.11 0.00 0.82 0.00 0.00 66.70 66.57 3bzb h VAL 223 Cb 0.38 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3bzb h VAL 223 CO 0.01 0.26 -0.27 0.78 0.02 0.00 0.00 177.57 178.37 3bzb h ASN 224 N -0.32 0.65 -0.43 0.57 2.35 -1.07 -2.95 115.58 114.39 3bzb h ASN 224 Ca 0.01 -0.24 0.03 0.00 -0.55 0.00 0.00 56.30 55.54 3bzb h ASN 224 Cb 0.43 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 3bzb h ASN 224 CO 0.00 0.90 0.23 0.00 -1.65 0.00 0.00 177.43 176.91 3bzb h ALA 225 N 1.15 0.54 -1.49 -0.83 0.00 -1.22 -3.27 119.26 114.14 3bzb h ALA 225 Ca 0.07 0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.46 3bzb h ALA 225 Cb 0.75 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 3bzb h ALA 225 CO 0.06 -0.12 1.17 0.34 0.00 0.00 0.00 179.25 180.70 3bzb s ASP 226 N -5.48 5.86 0.00 0.00 2.15 -1.06 -4.92 116.67 113.22 3bzb s ASP 226 Ca -0.13 0.09 0.00 0.00 0.43 0.00 0.00 52.55 52.94 3bzb s ASP 226 Cb 0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 3bzb s ASP 226 CO 0.72 -1.96 0.54 0.61 -0.17 0.00 0.00 175.17 174.91 3bzb n GLY 227 N 5.44 0.88 0.14 2.66 0.00 -1.23 -4.10 105.19 108.98 3bzb n GLY 227 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 3bzb n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bzb h ALA 228 N 2.07 -0.26 -1.78 4.61 0.00 -1.88 -3.46 119.26 118.56 3bzb h ALA 228 Ca 0.00 -0.07 -0.45 0.00 0.00 0.00 0.00 54.91 54.38 3bzb h ALA 228 Cb 0.35 0.10 0.08 0.00 0.00 0.00 0.00 17.79 18.32 3bzb h ALA 228 CO 0.00 -0.25 0.12 -0.51 0.00 0.00 0.00 179.25 178.61 3bzb s LEU 229 N -8.83 3.00 -0.03 0.00 1.43 -1.26 -3.36 118.68 109.64 3bzb s LEU 229 Ca -0.05 -0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3bzb s LEU 229 Cb 0.00 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.71 3bzb s LEU 229 CO 0.14 -1.65 0.02 -0.51 0.23 0.00 0.00 176.35 174.58 3bzb s ILE 230 N -3.11 0.03 -0.31 -0.59 2.07 0.76 -4.61 121.20 115.44 3bzb s ILE 230 Ca 0.63 0.19 -0.08 0.00 -1.41 0.00 0.00 60.65 59.98 3bzb s ILE 230 Cb -0.08 -0.17 0.00 0.00 0.13 0.00 0.00 42.46 42.35 3bzb s ILE 230 CO 0.43 0.12 0.13 0.00 -1.91 0.00 0.00 174.94 173.71 3bzb s ALA 231 N 1.21 3.18 0.13 1.50 0.00 -1.26 -2.59 121.76 123.94 3bzb s ALA 231 Ca -0.07 -1.44 0.09 0.00 0.00 0.00 0.00 51.96 50.53 3bzb s ALA 231 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 3bzb s ALA 231 CO -0.03 -0.95 -0.21 -1.21 0.00 0.00 0.00 175.76 173.36 3bzb s GLU 232 N 1.56 1.22 0.94 0.00 2.02 -0.53 -4.96 118.70 118.95 3bzb s GLU 232 Ca 0.03 -1.28 -0.11 0.00 0.02 0.00 0.00 54.97 53.64 3bzb s GLU 232 Cb -0.17 -1.46 0.12 0.00 0.10 0.00 0.00 34.13 32.72 3bzb s GLU 232 CO 0.05 0.33 0.91 -2.30 0.02 0.00 0.00 175.26 174.26 3bzb n PRO 233 N 0.78 -0.51 0.00 0.39 -0.02 -1.26 -1.34 135.00 133.03 3bzb n PRO 233 Ca -0.17 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 3bzb n PRO 233 Cb 0.55 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3bzb n PRO 233 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 3bzb n TRP 234 N -4.10 0.00 -3.88 6.00 -0.00 -1.12 -4.66 117.44 109.68 3bzb n TRP 234 Ca 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.51 3bzb n TRP 234 Cb 0.53 0.25 -0.08 0.00 -0.00 0.00 0.00 31.31 32.01 3bzb n TRP 234 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3bzb s LEU 235 N -4.49 1.53 0.65 5.87 1.43 -1.18 -5.03 118.68 117.46 3bzb s LEU 235 Ca 0.00 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 52.37 3bzb s LEU 235 Cb 0.00 0.89 -0.01 0.00 0.03 0.00 0.00 46.19 47.10 3bzb s LEU 235 CO 0.00 -0.62 1.28 -1.54 0.23 0.00 0.00 176.35 175.69 3bzb n SER 236 N 0.34 1.99 -4.79 2.29 3.41 -1.26 -4.26 113.62 111.34 3bzb n SER 236 Ca -0.17 0.82 -0.35 0.00 -0.26 0.00 0.00 58.87 58.91 3bzb n SER 236 Cb 0.60 -1.55 -0.03 0.00 -0.26 0.00 0.00 64.21 62.97 3bzb n SER 236 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3bzb s PRO 237 N -3.36 3.89 -0.14 4.33 0.02 -1.26 -4.73 135.00 133.75 3bzb s PRO 237 Ca 0.82 1.44 0.06 0.00 0.02 0.00 0.00 61.00 63.35 3bzb s PRO 237 Cb -0.38 -2.25 -0.13 0.00 0.02 0.00 0.00 34.50 31.77 3bzb s PRO 237 CO 0.41 -0.37 -0.05 1.28 -0.33 0.00 0.00 177.00 177.94 3bzb n LEU 238 N -0.67 1.47 -1.69 -5.54 4.77 -1.26 -5.02 117.00 109.05 3bzb n LEU 238 Ca 0.08 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3bzb n LEU 238 Cb 0.51 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3bzb n LEU 238 CO 0.42 0.53 -0.44 0.55 -1.33 0.00 0.00 177.39 177.12 3bzb n VAL 257 N -2.70 -5.34 -3.51 4.08 3.14 -1.26 -5.21 118.33 107.52 3bzb n VAL 257 Ca -0.24 2.42 -0.19 0.00 -2.96 0.00 0.00 64.34 63.37 3bzb n VAL 257 Cb 0.85 -3.25 -0.01 0.00 -1.06 0.00 0.00 33.84 30.36 3bzb n VAL 257 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 3bzb s HIS 258 N -2.05 3.02 -0.04 1.45 0.09 0.45 -4.95 115.29 113.25 3bzb s HIS 258 Ca 0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 55.06 54.77 3bzb s HIS 258 Cb 0.00 -1.99 0.03 0.00 -0.00 0.00 0.00 32.58 30.62 3bzb s HIS 258 CO 0.00 -0.01 0.05 1.03 -0.00 0.00 0.00 174.74 175.81 3bzb s ARG 259 N -4.15 0.01 0.00 1.40 0.52 -1.26 -2.17 118.95 113.30 3bzb s ARG 259 Ca 0.45 0.34 0.00 0.00 -0.52 0.00 0.00 55.73 56.00 3bzb s ARG 259 Cb -0.08 -0.56 0.00 0.00 0.52 0.00 0.00 34.95 34.83 3bzb s ARG 259 CO 0.30 -0.32 0.00 0.91 0.02 0.00 0.00 175.30 176.21 3bzb n TRP 260 N 5.22 0.00 -3.65 -0.53 7.02 0.24 -2.81 117.44 122.93 3bzb n TRP 260 Ca -0.05 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.37 3bzb n TRP 260 Cb 0.50 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.32 3bzb n TRP 260 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3bzb s ARG 261 N -1.32 0.61 0.10 -0.99 3.52 -0.45 -2.54 118.95 117.87 3bzb s ARG 261 Ca 0.00 1.23 0.03 0.00 -0.13 0.00 0.00 55.73 56.86 3bzb s ARG 261 Cb 0.00 0.34 -0.04 0.00 -1.56 0.00 0.00 34.95 33.69 3bzb s ARG 261 CO 0.00 -0.17 0.12 -0.51 -0.81 0.00 0.00 175.30 173.92 3bzb s LEU 262 N 2.02 3.89 0.15 -0.88 1.43 0.18 -1.46 118.68 124.01 3bzb s LEU 262 Ca -0.08 0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 3bzb s LEU 262 Cb -0.08 -2.54 0.07 0.00 0.03 0.00 0.00 46.19 43.67 3bzb s LEU 262 CO -0.18 0.14 0.65 -0.60 0.23 0.00 0.00 176.35 176.59 3bzb s ARG 263 N -2.59 1.27 0.95 1.70 3.52 -1.07 -1.20 118.95 121.54 3bzb s ARG 263 Ca 0.30 -0.50 -0.16 0.00 -0.13 0.00 0.00 55.73 55.25 3bzb s ARG 263 Cb -0.12 0.56 0.19 0.00 -1.56 0.00 0.00 34.95 34.03 3bzb s ARG 263 CO 0.23 -0.56 1.31 -1.58 -0.81 0.00 0.00 175.30 173.90 3bzb s TRP 264 N -3.69 1.65 0.00 5.12 0.52 -1.26 -0.17 118.94 121.12 3bzb s TRP 264 Ca 0.03 0.33 0.00 0.00 0.02 0.00 0.00 56.10 56.47 3bzb s TRP 264 Cb -0.01 -4.08 0.00 0.00 -1.15 0.00 0.00 33.47 28.22 3bzb s TRP 264 CO -0.11 -2.60 0.00 0.54 0.02 0.00 0.00 176.95 174.80