#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bt6 s LYS 6 N 0.00 3.22 0.12 0.11 2.20 -1.26 -2.80 119.74 121.33 2bt6 s LYS 6 Ca 0.00 -0.73 0.10 0.00 -0.36 0.00 0.00 55.97 54.98 2bt6 s LYS 6 Cb 0.00 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.56 2bt6 s LYS 6 CO 0.00 -0.09 -0.21 0.96 -0.36 0.00 0.00 175.35 175.65 2bt6 s ILE 7 N 1.09 2.61 0.00 5.43 -4.36 0.10 -4.91 121.20 121.17 2bt6 s ILE 7 Ca 0.00 -1.58 -0.19 0.00 -0.26 0.00 0.00 60.65 58.62 2bt6 s ILE 7 Cb -0.14 -2.18 -0.06 0.00 1.25 0.00 0.00 42.46 41.33 2bt6 s ILE 7 CO -0.04 0.11 0.53 -0.89 0.24 0.00 0.00 174.94 174.89 2bt6 s THR 8 N -1.10 4.92 -0.03 8.37 2.01 -1.26 -0.61 115.64 127.94 2bt6 s THR 8 Ca 0.16 1.11 0.02 0.00 0.31 0.00 0.00 61.69 63.29 2bt6 s THR 8 Cb -0.10 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.55 2bt6 s THR 8 CO 0.08 0.48 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.72 2bt6 s VAL 9 N -0.51 0.72 -0.24 3.82 1.01 -0.30 0.01 120.40 124.91 2bt6 s VAL 9 Ca 0.28 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 2bt6 s VAL 9 Cb -0.18 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2bt6 s VAL 9 CO 0.16 0.24 0.11 -1.00 0.00 0.00 0.00 175.10 174.61 2bt6 s HIS 10 N 0.40 3.18 -0.23 5.22 3.76 -0.24 -1.86 115.29 125.52 2bt6 s HIS 10 Ca -0.06 -0.11 -0.07 0.00 -0.15 0.00 0.00 55.06 54.67 2bt6 s HIS 10 Cb -0.10 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.31 2bt6 s HIS 10 CO 0.01 -0.16 0.06 -0.06 -0.85 0.00 0.00 174.74 173.73 2bt6 s PHE 11 N 1.35 3.10 -0.41 1.40 0.40 0.42 -1.10 117.98 123.16 2bt6 s PHE 11 Ca 0.06 -0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 55.83 2bt6 s PHE 11 Cb -0.15 -2.18 0.02 0.00 0.51 0.00 0.00 43.02 41.22 2bt6 s PHE 11 CO 0.05 -0.24 0.76 0.42 0.70 0.00 0.00 175.22 176.92 2bt6 s ILE 12 N 1.26 4.71 0.81 0.64 1.01 0.31 0.19 121.20 130.14 2bt6 s ILE 12 Ca 0.05 0.60 -0.12 0.00 0.00 0.00 0.00 60.65 61.18 2bt6 s ILE 12 Cb -0.15 -4.25 0.08 0.00 0.01 0.00 0.00 42.46 38.16 2bt6 s ILE 12 CO 0.03 -0.56 1.12 0.21 0.00 0.00 0.00 174.94 175.73 2bt6 s ASN 13 N 1.99 4.39 0.63 3.58 2.47 0.07 -0.85 114.94 127.20 2bt6 s ASN 13 Ca 0.30 1.13 0.39 0.00 0.42 0.00 0.00 52.86 55.09 2bt6 s ASN 13 Cb -0.13 -1.80 2.13 0.00 -1.45 0.00 0.00 41.25 39.99 2bt6 s ASN 13 CO 0.20 -2.02 2.29 -0.09 -3.72 0.00 0.00 177.10 173.76 2bt6 h ARG 14 N -1.12 0.00 -0.26 0.43 2.43 -1.88 -0.01 114.38 113.96 2bt6 h ARG 14 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2bt6 h ARG 14 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2bt6 h ARG 14 CO 0.61 0.01 0.00 -0.40 -1.51 0.00 0.00 179.97 178.68 2bt6 n ASP 15 N -3.32 1.70 0.00 -3.80 5.68 -1.26 -4.93 116.55 110.63 2bt6 n ASP 15 Ca -0.03 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 2bt6 n ASP 15 Cb 0.11 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 2bt6 n ASP 15 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bt6 n GLY 16 N 1.07 0.91 3.82 6.12 0.00 -0.02 -5.02 105.19 112.07 2bt6 n GLY 16 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2bt6 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bt6 s GLU 17 N -0.03 4.13 -0.24 1.61 0.41 -1.26 -4.79 118.70 118.54 2bt6 s GLU 17 Ca 0.00 0.67 -0.19 0.00 -0.41 0.00 0.00 54.97 55.04 2bt6 s GLU 17 Cb 0.00 -3.14 -0.03 0.00 -1.78 0.00 0.00 34.13 29.19 2bt6 s GLU 17 CO 0.00 0.59 0.56 0.99 -0.49 0.00 0.00 175.26 176.90 2bt6 s THR 18 N -1.23 5.05 -0.28 3.63 2.01 -1.26 -0.75 115.64 122.81 2bt6 s THR 18 Ca 0.32 1.00 -0.08 0.00 0.31 0.00 0.00 61.69 63.24 2bt6 s THR 18 Cb -0.18 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 2bt6 s THR 18 CO 0.19 0.09 0.09 -0.76 -0.69 0.00 0.00 174.62 173.54 2bt6 s LEU 19 N 2.17 3.69 -0.17 4.42 1.43 0.13 -4.94 118.68 125.41 2bt6 s LEU 19 Ca 0.24 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2bt6 s LEU 19 Cb -0.16 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 2bt6 s LEU 19 CO 0.09 -0.12 0.01 -0.89 0.23 0.00 0.00 176.35 175.67 2bt6 s THR 20 N 1.57 4.30 0.30 5.49 2.01 -1.26 -0.43 115.64 127.62 2bt6 s THR 20 Ca 0.05 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 2bt6 s THR 20 Cb -0.16 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.44 2bt6 s THR 20 CO 0.04 0.48 0.41 1.07 -0.69 0.00 0.00 174.62 175.93 2bt6 n THR 21 N 3.53 0.00 -4.60 -0.82 5.66 -0.78 -5.01 114.28 112.26 2bt6 n THR 21 Ca -0.17 -1.58 -0.24 0.00 -3.05 0.00 0.00 64.05 59.02 2bt6 n THR 21 Cb 0.52 0.96 -0.14 0.00 -1.55 0.00 0.00 70.33 70.12 2bt6 n THR 21 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2bt6 s LYS 22 N -2.72 1.25 0.28 1.09 1.02 -1.26 -1.15 119.74 118.24 2bt6 s LYS 22 Ca 0.26 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.48 2bt6 s LYS 22 Cb -0.01 -1.28 -0.06 0.00 -0.52 0.00 0.00 37.83 35.96 2bt6 s LYS 22 CO 0.18 0.33 0.07 0.20 -0.92 0.00 0.00 175.35 175.22 2bt6 s GLY 23 N -0.94 1.82 -0.02 -3.33 0.00 0.22 -4.94 107.32 100.12 2bt6 s GLY 23 Ca 0.05 -1.92 -0.02 0.00 0.00 0.00 0.00 44.72 42.83 2bt6 s GLY 23 CO 0.01 -1.68 0.15 0.54 0.00 0.00 0.00 173.10 172.12 2bt6 s LYS 24 N -3.96 3.32 0.17 2.90 1.02 -1.26 0.01 119.74 121.95 2bt6 s LYS 24 Ca 0.36 -0.36 -0.33 0.00 0.02 0.00 0.00 55.97 55.66 2bt6 s LYS 24 Cb 0.08 -3.03 -0.15 0.00 -0.52 0.00 0.00 37.83 34.21 2bt6 s LYS 24 CO 0.13 0.68 1.29 -0.89 -0.92 0.00 0.00 175.35 175.63 2bt6 n ILE 25 N 1.10 0.67 0.00 2.17 2.08 -1.12 -1.41 119.36 122.85 2bt6 n ILE 25 Ca -0.12 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.02 2bt6 n ILE 25 Cb 0.53 -1.04 0.00 0.00 -0.75 0.00 0.00 39.64 38.38 2bt6 n ILE 25 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2bt6 n GLY 26 N 2.26 2.87 3.77 7.39 0.00 -0.24 -4.93 105.19 116.31 2bt6 n GLY 26 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2bt6 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bt6 s ASP 27 N -1.30 6.30 0.63 1.61 1.01 -0.50 -4.56 116.67 119.85 2bt6 s ASP 27 Ca 0.00 2.30 -0.12 0.00 0.71 0.00 0.00 52.55 55.44 2bt6 s ASP 27 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2bt6 s ASP 27 CO 0.00 -0.83 1.03 -0.94 0.21 0.00 0.00 175.17 174.65 2bt6 s SER 28 N -1.32 6.06 0.47 0.27 1.04 -1.26 0.27 113.70 119.23 2bt6 s SER 28 Ca 0.61 1.50 0.19 0.00 0.48 0.00 0.00 55.95 58.73 2bt6 s SER 28 Cb -0.29 -2.48 1.16 0.00 0.10 0.00 0.00 66.02 64.51 2bt6 s SER 28 CO 0.35 -0.98 2.02 -0.07 0.98 0.00 0.00 173.24 175.54 2bt6 h LEU 29 N -0.25 0.00 -0.23 2.42 3.38 -1.11 -1.34 115.31 118.17 2bt6 h LEU 29 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2bt6 h LEU 29 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2bt6 h LEU 29 CO 0.61 0.16 0.12 0.25 0.09 0.00 0.00 178.44 179.66 2bt6 h LEU 30 N 0.00 0.30 -0.86 1.67 5.85 -1.85 -2.26 115.31 118.16 2bt6 h LEU 30 Ca -0.00 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.71 2bt6 h LEU 30 Cb 0.32 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 2bt6 h LEU 30 CO 0.02 0.33 0.50 0.44 -0.34 0.00 0.00 178.44 179.39 2bt6 h ASP 31 N 0.25 0.70 -0.36 1.25 3.32 -1.63 0.08 116.42 120.03 2bt6 h ASP 31 Ca 0.08 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.20 2bt6 h ASP 31 Cb 0.10 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2bt6 h ASP 31 CO -0.01 0.38 0.22 0.58 -1.72 0.00 0.00 179.24 178.69 2bt6 h VAL 32 N 0.81 1.05 -0.04 -1.35 2.07 -1.17 0.29 116.25 117.91 2bt6 h VAL 32 Ca 0.42 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 2bt6 h VAL 32 Cb 0.42 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2bt6 h VAL 32 CO -0.26 0.08 0.02 0.58 0.02 0.00 0.00 177.57 178.00 2bt6 h VAL 33 N 0.45 1.15 0.28 2.57 2.07 -0.75 -2.58 116.25 119.44 2bt6 h VAL 33 Ca 0.14 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2bt6 h VAL 33 Cb -0.01 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2bt6 h VAL 33 CO -0.06 0.12 -0.13 0.58 0.02 0.00 0.00 177.57 178.10 2bt6 h VAL 34 N -0.11 0.75 0.00 2.57 2.07 -0.86 -1.96 116.25 118.72 2bt6 h VAL 34 Ca 0.01 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2bt6 h VAL 34 Cb 0.18 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2bt6 h VAL 34 CO -0.00 0.11 -0.12 1.56 0.02 0.00 0.00 177.57 179.15 2bt6 h GLN 35 N -0.68 0.00 -0.68 1.57 4.20 -0.50 -1.98 115.11 117.04 2bt6 h GLN 35 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2bt6 h GLN 35 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2bt6 h GLN 35 CO 0.06 0.12 0.00 0.09 -0.67 0.00 0.00 178.83 178.43 2bt6 n ASN 36 N -4.07 3.67 -3.97 1.46 3.02 -0.97 -4.98 115.26 109.42 2bt6 n ASN 36 Ca -0.02 -2.02 -0.29 0.00 -0.03 0.00 0.00 54.58 52.22 2bt6 n ASN 36 Cb 0.20 -0.46 -0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2bt6 n ASN 36 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2bt6 n ASN 37 N 1.46 -2.26 -4.75 6.41 3.02 -0.75 -4.90 115.26 113.49 2bt6 n ASN 37 Ca 0.23 -0.92 -0.40 0.00 -0.03 0.00 0.00 54.58 53.45 2bt6 n ASN 37 Cb 0.59 -3.35 -0.04 0.00 -0.61 0.00 0.00 39.78 36.37 2bt6 n ASN 37 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bt6 s LEU 38 N -7.07 4.54 -1.32 3.41 1.43 -0.78 -4.92 118.68 113.98 2bt6 s LEU 38 Ca 0.34 2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 55.54 2bt6 s LEU 38 Cb -0.18 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.54 2bt6 s LEU 38 CO 0.87 -0.16 1.87 -0.67 0.23 0.00 0.00 176.35 178.49 2bt6 n ASP 39 N 1.52 4.79 -4.15 2.29 2.03 -1.26 -4.86 116.55 116.90 2bt6 n ASP 39 Ca -0.00 -2.99 -0.37 0.00 0.52 0.00 0.00 54.79 51.94 2bt6 n ASP 39 Cb 0.45 -1.58 -0.11 0.00 -0.72 0.00 0.00 41.12 39.17 2bt6 n ASP 39 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2bt6 s ILE 40 N 1.80 3.51 -0.08 5.18 1.01 -1.26 -5.00 121.20 126.35 2bt6 s ILE 40 Ca 0.44 -1.92 -0.35 0.00 0.00 0.00 0.00 60.65 58.82 2bt6 s ILE 40 Cb 0.08 -3.35 -0.12 0.00 0.01 0.00 0.00 42.46 39.08 2bt6 s ILE 40 CO -0.01 -0.66 1.84 -0.67 0.00 0.00 0.00 174.94 175.44 2bt6 n ASP 41 N 4.68 3.32 0.00 3.58 2.03 -1.26 -1.97 116.55 126.93 2bt6 n ASP 41 Ca -0.04 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.26 2bt6 n ASP 41 Cb 0.41 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 2bt6 n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bt6 n GLY 42 N 4.29 0.73 3.73 0.27 0.00 -1.26 -4.98 105.19 107.98 2bt6 n GLY 42 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2bt6 n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bt6 s PHE 43 N -3.09 3.21 -0.50 1.61 5.36 -0.83 -3.57 117.98 120.17 2bt6 s PHE 43 Ca 0.00 1.04 -0.02 0.00 -0.96 0.00 0.00 56.93 56.99 2bt6 s PHE 43 Cb 0.00 -3.68 0.00 0.00 -0.34 0.00 0.00 43.02 39.00 2bt6 s PHE 43 CO 0.00 -2.29 0.22 0.41 -1.46 0.00 0.00 175.22 172.10 2bt6 n GLY 44 N 2.95 0.31 0.24 13.12 0.00 -1.22 -4.92 105.19 115.66 2bt6 n GLY 44 Ca 0.09 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.65 2bt6 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bt6 h ALA 45 N 0.33 0.55 -0.08 4.61 0.00 -1.87 -1.51 119.26 121.30 2bt6 h ALA 45 Ca -0.18 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bt6 h ALA 45 Cb 1.12 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2bt6 h ALA 45 CO 0.19 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.03 2bt6 n GLU 47 N -0.09 -4.26 -0.98 0.00 1.02 -0.57 -3.76 120.64 112.00 2bt6 n GLU 47 Ca 0.17 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 2bt6 n GLU 47 Cb 0.25 -4.77 0.00 0.00 -0.02 0.00 0.00 31.44 26.90 2bt6 n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bt6 n GLY 48 N -1.38 0.65 0.92 0.62 0.00 -1.26 -4.97 105.19 99.76 2bt6 n GLY 48 Ca -0.03 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.32 2bt6 n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bt6 n THR 49 N -2.88 1.59 -3.09 2.61 -2.24 -1.25 -4.96 114.28 104.06 2bt6 n THR 49 Ca 0.00 -1.33 -0.22 0.00 -2.27 0.00 0.00 64.05 60.23 2bt6 n THR 49 Cb 0.13 0.18 0.04 0.00 -2.10 0.00 0.00 70.33 68.58 2bt6 n THR 49 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2bt6 n LEU 50 N 0.32 -2.79 -0.14 3.22 4.77 -1.26 -4.89 117.00 116.23 2bt6 n LEU 50 Ca 0.18 -0.32 0.05 0.00 -0.03 0.00 0.00 56.01 55.88 2bt6 n LEU 50 Cb 0.67 -2.93 0.08 0.00 -2.33 0.00 0.00 43.42 38.92 2bt6 n LEU 50 CO 0.14 0.30 0.55 0.00 -1.33 0.00 0.00 177.39 177.04 2bt6 n ALA 51 N -3.75 2.18 -3.22 -1.18 0.00 -1.26 -5.00 120.51 108.27 2bt6 n ALA 51 Ca -0.09 -1.68 -0.11 0.00 0.00 0.00 0.00 53.44 51.55 2bt6 n ALA 51 Cb 0.61 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 2bt6 n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bt6 n SER 53 N -0.93 2.40 0.04 0.00 3.41 -1.26 -4.80 113.62 112.48 2bt6 n SER 53 Ca -0.02 -2.70 0.13 0.00 -0.26 0.00 0.00 58.87 56.02 2bt6 n SER 53 Cb 0.61 -0.30 0.38 0.00 -0.26 0.00 0.00 64.21 64.64 2bt6 n SER 53 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bt6 n THR 54 N -0.98 0.24 0.65 6.66 -2.24 -1.26 -2.74 114.28 114.61 2bt6 n THR 54 Ca 0.11 -0.14 0.07 0.00 -2.27 0.00 0.00 64.05 61.83 2bt6 n THR 54 Cb 0.53 -0.28 0.21 0.00 -2.10 0.00 0.00 70.33 68.69 2bt6 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bt6 n HIS 56 N 0.75 1.91 -4.31 0.00 -0.00 -1.11 -1.01 115.22 111.46 2bt6 n HIS 56 Ca 0.15 0.46 -0.21 0.00 0.46 0.00 0.00 57.72 58.57 2bt6 n HIS 56 Cb 0.37 -2.45 -0.13 0.00 -0.12 0.00 0.00 29.99 27.66 2bt6 n HIS 56 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2bt6 s LEU 57 N 1.94 2.24 -0.19 0.27 1.43 -0.19 -4.56 118.68 119.61 2bt6 s LEU 57 Ca 0.89 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 2bt6 s LEU 57 Cb -0.90 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 2bt6 s LEU 57 CO 0.51 0.02 0.03 -0.63 0.23 0.00 0.00 176.35 176.51 2bt6 s ILE 58 N -1.07 4.30 0.26 -0.59 1.01 0.06 -1.67 121.20 123.51 2bt6 s ILE 58 Ca 0.02 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.54 2bt6 s ILE 58 Cb -0.09 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 2bt6 s ILE 58 CO 0.02 0.43 0.26 -0.36 0.00 0.00 0.00 174.94 175.30 2bt6 s PHE 59 N 0.76 3.18 0.38 3.97 0.40 -0.01 -1.36 117.98 125.30 2bt6 s PHE 59 Ca 0.02 -0.11 -0.26 0.00 -0.60 0.00 0.00 56.93 55.97 2bt6 s PHE 59 Cb -0.14 -1.52 -0.09 0.00 0.51 0.00 0.00 43.02 41.79 2bt6 s PHE 59 CO 0.02 0.44 1.17 -1.21 0.70 0.00 0.00 175.22 176.34 2bt6 s GLU 60 N -3.91 4.17 0.22 0.44 2.02 -1.26 -4.84 118.70 115.54 2bt6 s GLU 60 Ca 0.35 1.86 -0.08 0.00 0.02 0.00 0.00 54.97 57.12 2bt6 s GLU 60 Cb -0.08 -2.78 0.32 0.00 0.10 0.00 0.00 34.13 31.69 2bt6 s GLU 60 CO 0.26 -0.23 1.76 0.37 0.02 0.00 0.00 175.26 177.44 2bt6 h GLN 61 N 2.87 0.48 -0.00 1.61 5.75 -1.98 0.12 115.11 123.95 2bt6 h GLN 61 Ca -0.48 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 57.93 2bt6 h GLN 61 Cb 1.23 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 2bt6 h GLN 61 CO 0.63 0.32 -0.25 1.12 -2.65 0.00 0.00 178.83 178.00 2bt6 h HIS 62 N 0.49 0.01 0.00 3.99 2.07 -2.00 -1.53 115.15 118.18 2bt6 h HIS 62 Ca 0.34 -0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.84 2bt6 h HIS 62 Cb 0.40 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.38 2bt6 h HIS 62 CO -0.14 0.26 -0.07 0.82 -3.07 0.00 0.00 177.93 175.73 2bt6 h ILE 63 N 0.01 1.66 -0.72 6.12 1.08 -1.79 -3.37 117.51 120.50 2bt6 h ILE 63 Ca -0.00 -2.04 0.13 0.00 -0.39 0.00 0.00 64.86 62.56 2bt6 h ILE 63 Cb 0.44 3.03 -0.09 0.00 -3.07 0.00 0.00 36.82 37.14 2bt6 h ILE 63 CO 0.03 0.53 0.27 0.15 -0.69 0.00 0.00 178.15 178.45 2bt6 h PHE 64 N -0.79 0.47 0.00 1.37 3.57 -0.66 -1.85 116.94 119.04 2bt6 h PHE 64 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2bt6 h PHE 64 Cb 0.91 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2bt6 h PHE 64 CO 0.22 0.06 0.00 -0.85 -2.23 0.00 0.00 178.31 175.51 2bt6 n GLU 65 N -5.01 0.11 -0.15 1.11 0.28 -0.60 -2.21 120.64 114.17 2bt6 n GLU 65 Ca 0.13 0.36 0.08 0.00 -0.16 0.00 0.00 57.16 57.57 2bt6 n GLU 65 Cb 0.38 -1.72 0.16 0.00 1.43 0.00 0.00 31.44 31.69 2bt6 n GLU 65 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2bt6 n LYS 66 N -1.93 2.19 -1.44 3.44 4.76 -0.70 -5.01 118.16 119.47 2bt6 n LYS 66 Ca 0.03 -1.97 -0.31 0.00 -2.87 0.00 0.00 58.31 53.19 2bt6 n LYS 66 Cb 0.20 -1.36 0.08 0.00 -1.84 0.00 0.00 35.03 32.11 2bt6 n LYS 66 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2bt6 s LEU 67 N -1.13 2.89 0.59 -0.35 1.43 -0.94 -4.99 118.68 116.17 2bt6 s LEU 67 Ca 0.28 1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 54.77 2bt6 s LEU 67 Cb 0.16 -4.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.04 2bt6 s LEU 67 CO 0.22 -1.85 1.28 -1.61 0.23 0.00 0.00 176.35 174.61 2bt6 s GLU 68 N -5.02 2.95 0.25 1.70 0.41 -1.26 -4.89 118.70 112.84 2bt6 s GLU 68 Ca 0.60 2.02 -0.31 0.00 -0.41 0.00 0.00 54.97 56.87 2bt6 s GLU 68 Cb -0.15 -2.04 -0.13 0.00 -1.78 0.00 0.00 34.13 30.03 2bt6 s GLU 68 CO 0.55 -1.27 1.54 0.00 -0.49 0.00 0.00 175.26 175.59 2bt6 n ALA 69 N -1.43 1.93 -1.86 5.21 0.00 -1.26 -4.92 120.51 118.18 2bt6 n ALA 69 Ca 0.13 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.56 2bt6 n ALA 69 Cb 0.48 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 2bt6 n ALA 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2bt6 s ILE 70 N 0.23 3.23 0.43 0.00 2.07 -1.26 -5.03 121.20 120.87 2bt6 s ILE 70 Ca 0.69 1.15 -0.08 0.00 -1.41 0.00 0.00 60.65 61.00 2bt6 s ILE 70 Cb -0.57 -3.73 -0.05 0.00 0.13 0.00 0.00 42.46 38.23 2bt6 s ILE 70 CO 0.46 0.24 0.77 0.42 -1.91 0.00 0.00 174.94 174.91 2bt6 s THR 71 N -0.72 4.85 0.34 4.00 -4.23 -1.26 -4.95 115.64 113.68 2bt6 s THR 71 Ca 0.49 0.41 0.02 0.00 -1.18 0.00 0.00 61.69 61.44 2bt6 s THR 71 Cb -0.35 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 69.97 2bt6 s THR 71 CO 0.43 -0.66 1.99 0.44 -0.54 0.00 0.00 174.62 176.28 2bt6 h ASP 72 N 0.82 0.75 -0.33 3.99 3.32 -1.98 -0.35 116.42 122.64 2bt6 h ASP 72 Ca -0.47 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 2bt6 h ASP 72 Cb 1.19 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 2bt6 h ASP 72 CO 0.63 0.53 0.15 -0.08 -1.72 0.00 0.00 179.24 178.75 2bt6 h GLU 73 N 0.88 0.48 -0.36 3.56 4.81 -2.00 0.48 114.58 122.43 2bt6 h GLU 73 Ca 0.27 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2bt6 h GLU 73 Cb 0.00 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2bt6 h GLU 73 CO -0.07 0.45 0.09 1.49 -0.73 0.00 0.00 179.01 180.24 2bt6 h GLU 74 N 0.40 0.57 -0.77 1.92 4.81 -1.86 -3.12 114.58 116.53 2bt6 h GLU 74 Ca 0.11 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2bt6 h GLU 74 Cb 0.13 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 2bt6 h GLU 74 CO -0.01 0.61 0.51 -0.97 -0.73 0.00 0.00 179.01 178.41 2bt6 h ASN 75 N 0.43 0.86 -0.81 1.04 -1.24 -0.82 0.15 115.58 115.18 2bt6 h ASN 75 Ca 0.11 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 2bt6 h ASN 75 Cb 0.29 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 39.09 2bt6 h ASN 75 CO -0.00 0.62 0.43 0.44 -1.29 0.00 0.00 177.43 177.63 2bt6 h ASP 76 N 1.02 1.03 0.01 1.15 3.32 -0.90 -0.44 116.42 121.61 2bt6 h ASP 76 Ca 0.29 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 2bt6 h ASP 76 Cb -0.08 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.21 2bt6 h ASP 76 CO -0.08 0.84 -0.49 -0.03 -1.72 0.00 0.00 179.24 177.77 2bt6 h MET 77 N 1.15 0.32 -0.93 3.56 4.05 -1.41 -3.26 114.93 118.42 2bt6 h MET 77 Ca 0.29 -0.35 0.09 0.00 -0.28 0.00 0.00 59.70 59.45 2bt6 h MET 77 Cb 0.05 0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 30.89 2bt6 h MET 77 CO -0.04 1.05 0.60 1.25 0.23 0.00 0.00 176.91 179.99 2bt6 h LEU 78 N -0.27 0.86 -1.98 3.39 5.85 -0.56 -1.41 115.31 121.20 2bt6 h LEU 78 Ca -0.06 0.02 0.19 0.00 0.84 0.00 0.00 57.88 58.87 2bt6 h LEU 78 Cb 1.22 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 2bt6 h LEU 78 CO 0.10 0.51 0.52 0.44 -0.34 0.00 0.00 178.44 179.66 2bt6 h ASP 79 N 0.95 0.00 -0.09 1.25 3.32 -1.11 0.09 116.42 120.82 2bt6 h ASP 79 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2bt6 h ASP 79 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2bt6 h ASP 79 CO -0.19 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.51 2bt6 n LEU 80 N -4.11 2.00 -4.76 1.55 4.77 -0.53 -4.97 117.00 110.96 2bt6 n LEU 80 Ca 0.13 -0.74 -0.40 0.00 -0.03 0.00 0.00 56.01 54.97 2bt6 n LEU 80 Cb 0.76 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.76 2bt6 n LEU 80 CO 0.35 0.37 0.81 0.00 -1.33 0.00 0.00 177.39 177.58 2bt6 s ALA 81 N -1.90 3.39 0.32 -1.18 0.00 0.02 -4.99 121.76 117.42 2bt6 s ALA 81 Ca 0.35 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 2bt6 s ALA 81 Cb 0.20 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 2bt6 s ALA 81 CO 0.31 -0.21 1.46 -0.47 0.00 0.00 0.00 175.76 176.84 2bt6 s TYR 82 N -1.19 2.83 -0.93 0.00 5.04 -1.26 -3.09 117.35 118.74 2bt6 s TYR 82 Ca 0.46 1.11 0.00 0.00 -2.44 0.00 0.00 57.07 56.20 2bt6 s TYR 82 Cb -0.32 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.08 2bt6 s TYR 82 CO 0.41 -2.78 0.00 0.41 -1.34 0.00 0.00 175.55 172.25 2bt6 n GLY 83 N 1.29 0.32 3.69 8.97 0.00 -1.26 -4.90 105.19 113.29 2bt6 n GLY 83 Ca 0.04 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 2bt6 n GLY 83 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2bt6 n LEU 84 N -1.36 3.37 -4.56 0.99 7.94 -1.18 -4.97 117.00 117.24 2bt6 n LEU 84 Ca -0.11 1.12 -0.26 0.00 -1.11 0.00 0.00 56.01 55.65 2bt6 n LEU 84 Cb 0.51 -1.47 -0.11 0.00 0.53 0.00 0.00 43.42 42.89 2bt6 n LEU 84 CO 0.14 -0.28 -0.29 0.42 -1.11 0.00 0.00 177.39 176.28 2bt6 s THR 85 N 0.28 1.71 -2.00 1.96 -4.23 -1.26 -5.02 115.64 107.08 2bt6 s THR 85 Ca 0.71 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 2bt6 s THR 85 Cb -0.62 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 70.41 2bt6 s THR 85 CO 0.45 -0.01 1.10 -0.90 -0.54 0.00 0.00 174.62 174.73 2bt6 n ASP 86 N -0.86 0.00 -0.53 3.99 5.68 -1.26 -2.86 116.55 120.71 2bt6 n ASP 86 Ca -0.04 -1.79 0.07 0.00 -0.50 0.00 0.00 54.79 52.53 2bt6 n ASP 86 Cb 0.67 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.79 2bt6 n ASP 86 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2bt6 n ARG 87 N -0.56 1.15 -3.71 0.11 1.74 -1.26 -5.08 116.66 109.05 2bt6 n ARG 87 Ca 0.03 -2.71 -0.36 0.00 -0.77 0.00 0.00 57.85 54.04 2bt6 n ARG 87 Cb 0.01 -1.28 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 2bt6 n ARG 87 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2bt6 s SER 88 N -2.77 6.57 0.09 0.55 0.01 -1.13 -0.83 113.70 116.18 2bt6 s SER 88 Ca 0.32 0.67 -0.03 0.00 1.31 0.00 0.00 55.95 58.23 2bt6 s SER 88 Cb 0.31 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 2bt6 s SER 88 CO -0.04 0.32 0.06 -0.13 0.41 0.00 0.00 173.24 173.86 2bt6 s ARG 89 N -1.32 0.79 -0.38 12.44 1.81 -0.67 -4.98 118.95 126.65 2bt6 s ARG 89 Ca 0.23 -1.24 -0.27 0.00 -1.72 0.00 0.00 55.73 52.72 2bt6 s ARG 89 Cb -0.14 0.26 0.02 0.00 -0.45 0.00 0.00 34.95 34.64 2bt6 s ARG 89 CO 0.11 -0.21 0.99 -0.51 -0.68 0.00 0.00 175.30 175.01 2bt6 s LEU 90 N -2.96 3.92 0.51 2.53 1.43 -1.26 -1.02 118.68 121.84 2bt6 s LEU 90 Ca 0.13 0.64 0.17 0.00 -1.03 0.00 0.00 54.13 54.04 2bt6 s LEU 90 Cb 0.07 -3.37 1.27 0.00 0.03 0.00 0.00 46.19 44.19 2bt6 s LEU 90 CO -0.06 -0.94 2.13 1.23 0.23 0.00 0.00 176.35 178.95 2bt6 h GLY 91 N 10.29 0.00 2.00 -3.19 0.00 -1.40 -0.67 103.07 110.10 2bt6 h GLY 91 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2bt6 h GLY 91 CO 1.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.56 2bt6 n GLN 93 N -2.13 0.44 -3.74 0.00 1.13 -0.26 -4.80 117.38 108.03 2bt6 n GLN 93 Ca 0.01 -0.31 -0.37 0.00 -1.94 0.00 0.00 57.00 54.39 2bt6 n GLN 93 Cb 0.13 -1.49 -0.12 0.00 0.11 0.00 0.00 30.24 28.86 2bt6 n GLN 93 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bt6 s ILE 94 N -2.78 4.39 -0.11 5.09 -1.09 -0.79 -5.02 121.20 120.89 2bt6 s ILE 94 Ca 0.15 -0.18 -0.10 0.00 -2.23 0.00 0.00 60.65 58.29 2bt6 s ILE 94 Cb 0.18 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.94 2bt6 s ILE 94 CO 0.67 0.31 0.22 0.00 -1.23 0.00 0.00 174.94 174.91 2bt6 s LEU 96 N -0.64 4.39 0.27 0.00 1.43 0.14 -4.80 118.68 119.47 2bt6 s LEU 96 Ca 0.16 2.72 0.07 0.00 -1.03 0.00 0.00 54.13 56.05 2bt6 s LEU 96 Cb -0.13 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.40 2bt6 s LEU 96 CO 0.05 -0.68 -0.07 0.42 0.23 0.00 0.00 176.35 176.30 2bt6 s THR 97 N -0.45 1.66 0.44 5.49 -4.23 -1.26 -1.08 115.64 116.22 2bt6 s THR 97 Ca 0.56 -2.14 0.11 0.00 -1.18 0.00 0.00 61.69 59.04 2bt6 s THR 97 Cb -0.42 -2.41 0.22 0.00 1.34 0.00 0.00 72.50 71.24 2bt6 s THR 97 CO 0.48 -0.33 2.03 0.50 -0.54 0.00 0.00 174.62 176.77 2bt6 h LYS 98 N 2.31 0.23 -0.09 3.99 3.64 -1.99 -1.23 116.57 123.42 2bt6 h LYS 98 Ca -0.40 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 2bt6 h LYS 98 Cb 1.23 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2bt6 h LYS 98 CO 0.66 0.24 0.22 0.00 -2.27 0.00 0.00 179.45 178.30 2bt6 h ALA 99 N 1.80 1.48 -0.01 5.00 0.00 -2.01 -1.73 119.26 123.78 2bt6 h ALA 99 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2bt6 h ALA 99 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2bt6 h ALA 99 CO 0.00 -0.26 -0.00 -1.33 0.00 0.00 0.00 179.25 177.65 2bt6 n MET 100 N -3.32 1.55 -1.77 0.00 2.81 -0.46 -4.87 117.12 111.06 2bt6 n MET 100 Ca -0.00 -0.81 -0.42 0.00 -1.81 0.00 0.00 57.70 54.66 2bt6 n MET 100 Cb 0.30 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.30 2bt6 n MET 100 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2bt6 s ASP 101 N -2.01 6.42 -0.78 7.83 2.15 -0.65 -1.23 116.67 128.40 2bt6 s ASP 101 Ca 0.39 2.82 0.00 0.00 0.43 0.00 0.00 52.55 56.19 2bt6 s ASP 101 Cb 0.21 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 2bt6 s ASP 101 CO 0.34 -0.95 0.00 0.59 -0.17 0.00 0.00 175.17 174.99 2bt6 n ASN 102 N 4.04 -4.76 -4.78 -0.34 3.02 0.10 -4.92 115.26 107.63 2bt6 n ASN 102 Ca 0.16 0.18 -0.30 0.00 -0.03 0.00 0.00 54.58 54.58 2bt6 n ASN 102 Cb 0.36 -2.90 0.09 0.00 -0.61 0.00 0.00 39.78 36.72 2bt6 n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bt6 s MET 103 N -2.29 2.09 -0.12 3.52 0.23 -0.36 -4.80 119.30 117.56 2bt6 s MET 103 Ca 0.00 0.89 0.03 0.00 -1.03 0.00 0.00 55.69 55.58 2bt6 s MET 103 Cb 0.00 -1.90 0.00 0.00 -1.53 0.00 0.00 34.83 31.40 2bt6 s MET 103 CO 0.00 -1.68 -0.23 0.99 -2.03 0.00 0.00 175.02 172.08 2bt6 s THR 104 N -3.01 2.11 0.19 3.16 2.01 -1.26 -1.08 115.64 117.76 2bt6 s THR 104 Ca 0.61 -0.98 0.10 0.00 0.31 0.00 0.00 61.69 61.73 2bt6 s THR 104 Cb -0.16 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 2bt6 s THR 104 CO 0.56 0.55 -0.18 0.68 -0.69 0.00 0.00 174.62 175.54 2bt6 s VAL 105 N 0.56 2.68 0.01 3.82 -7.23 -0.26 -4.06 120.40 115.92 2bt6 s VAL 105 Ca -0.13 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.17 2bt6 s VAL 105 Cb -0.17 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 2bt6 s VAL 105 CO 0.04 -0.13 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.97 2bt6 s ARG 106 N -2.78 1.01 -0.34 4.82 3.52 -0.46 -0.53 118.95 124.19 2bt6 s ARG 106 Ca 0.23 -0.56 -0.13 0.00 -0.13 0.00 0.00 55.73 55.14 2bt6 s ARG 106 Cb -0.08 -0.99 -0.01 0.00 -1.56 0.00 0.00 34.95 32.31 2bt6 s ARG 106 CO 0.12 0.26 0.23 0.08 -0.81 0.00 0.00 175.30 175.19 2bt6 s VAL 107 N -0.49 5.19 -2.01 7.11 1.01 -0.03 -0.76 120.40 130.42 2bt6 s VAL 107 Ca 0.04 -0.29 0.32 0.00 0.00 0.00 0.00 61.98 62.05 2bt6 s VAL 107 Cb -0.06 -3.69 0.90 0.00 0.00 0.00 0.00 36.38 33.54 2bt6 s VAL 107 CO 0.00 -0.03 2.22 -0.81 0.00 0.00 0.00 175.10 176.48