#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bj7 h GLU 2 N 0.00 0.59 -6.46 2.12 4.39 -2.14 -3.45 114.58 109.64 2bj7 h GLU 2 Ca 0.00 -0.63 -0.69 0.00 0.34 0.00 0.00 59.36 58.38 2bj7 h GLU 2 Cb 0.00 0.18 -0.23 0.00 -0.10 0.00 0.00 28.75 28.60 2bj7 h GLU 2 CO 0.00 1.24 -0.79 -0.51 -1.16 0.00 0.00 179.01 177.78 2bj7 s LEU 3 N -8.22 2.64 -0.17 1.33 1.43 -1.26 -5.11 118.68 109.32 2bj7 s LEU 3 Ca -0.11 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2bj7 s LEU 3 Cb 0.06 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.75 2bj7 s LEU 3 CO 0.88 0.30 -0.18 -0.63 0.23 0.00 0.00 176.35 176.96 2bj7 s ILE 4 N -0.82 2.34 -0.16 -0.59 1.01 -1.26 -5.11 121.20 116.61 2bj7 s ILE 4 Ca 0.13 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 2bj7 s ILE 4 Cb -0.11 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 2bj7 s ILE 4 CO 0.03 0.52 0.18 -0.60 0.00 0.00 0.00 174.94 175.07 2bj7 s ARG 5 N 1.11 3.99 0.22 2.79 3.52 -1.26 -5.09 118.95 124.23 2bj7 s ARG 5 Ca 0.00 -0.10 -0.14 0.00 -0.13 0.00 0.00 55.73 55.37 2bj7 s ARG 5 Cb -0.14 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 2bj7 s ARG 5 CO -0.07 0.44 0.47 -0.59 -0.81 0.00 0.00 175.30 174.74 2bj7 s PHE 6 N -0.07 0.18 0.26 5.12 -0.12 -1.26 -5.18 117.98 116.91 2bj7 s PHE 6 Ca 0.12 -0.54 0.08 0.00 -0.05 0.00 0.00 56.93 56.54 2bj7 s PHE 6 Cb -0.12 0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 2bj7 s PHE 6 CO 0.02 -0.93 0.10 -1.12 -0.05 0.00 0.00 175.22 173.23 2bj7 s SER 7 N -2.96 5.06 -0.05 1.98 0.01 -1.26 -5.13 113.70 111.35 2bj7 s SER 7 Ca 0.16 -0.44 -0.14 0.00 1.31 0.00 0.00 55.95 56.84 2bj7 s SER 7 Cb -0.00 -1.14 0.03 0.00 0.21 0.00 0.00 66.02 65.12 2bj7 s SER 7 CO 0.03 -0.02 0.33 -0.51 0.41 0.00 0.00 173.24 173.49 2bj7 s ILE 8 N -2.21 0.04 -0.09 1.44 2.07 -1.26 -5.16 121.20 116.03 2bj7 s ILE 8 Ca 0.32 -0.33 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 2bj7 s ILE 8 Cb -0.07 -0.59 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 2bj7 s ILE 8 CO 0.22 -0.18 -0.09 -0.44 -1.91 0.00 0.00 174.94 172.55 2bj7 s SER 9 N -0.90 4.47 -0.04 4.50 0.01 -1.26 -5.12 113.70 115.37 2bj7 s SER 9 Ca -0.10 -0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.00 2bj7 s SER 9 Cb -0.04 -1.31 0.01 0.00 0.21 0.00 0.00 66.02 64.89 2bj7 s SER 9 CO 0.03 0.29 0.11 -0.63 0.41 0.00 0.00 173.24 173.45 2bj7 s ILE 10 N -0.38 0.01 0.30 1.44 1.01 -1.26 -5.12 121.20 117.19 2bj7 s ILE 10 Ca 0.05 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 2bj7 s ILE 10 Cb -0.12 -0.17 -0.13 0.00 0.01 0.00 0.00 42.46 42.05 2bj7 s ILE 10 CO 0.02 -0.03 1.38 -2.65 0.00 0.00 0.00 174.94 173.67 2bj7 n PRO 11 N 2.92 2.19 -0.27 2.79 -0.02 -1.26 -4.80 135.00 136.55 2bj7 n PRO 11 Ca -0.13 0.77 0.04 0.00 -2.02 0.00 0.00 63.50 62.16 2bj7 n PRO 11 Cb 0.59 -2.42 0.17 0.00 -0.02 0.00 0.00 33.50 31.83 2bj7 n PRO 11 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2bj7 h SER 12 N 3.47 0.52 -0.52 2.55 4.64 -2.00 -2.08 113.55 120.14 2bj7 h SER 12 Ca -0.46 0.07 0.06 0.00 -0.47 0.00 0.00 61.79 60.99 2bj7 h SER 12 Cb 1.27 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.29 2bj7 h SER 12 CO 0.70 0.27 0.22 0.11 -0.87 0.00 0.00 176.83 177.26 2bj7 h LYS 13 N 0.65 0.42 -0.55 4.77 1.79 -2.00 0.80 116.57 122.44 2bj7 h LYS 13 Ca 0.40 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.81 2bj7 h LYS 13 Cb 0.47 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 2bj7 h LYS 13 CO -0.30 0.28 0.20 1.25 -1.08 0.00 0.00 179.45 179.80 2bj7 h LEU 14 N 0.43 0.78 -0.97 2.94 5.85 -1.79 -2.79 115.31 119.76 2bj7 h LEU 14 Ca 0.24 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 2bj7 h LEU 14 Cb 0.21 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2bj7 h LEU 14 CO -0.21 0.76 -0.29 0.25 -0.34 0.00 0.00 178.44 178.61 2bj7 h LEU 15 N 0.76 0.40 0.15 2.25 5.85 -0.79 -2.17 115.31 121.76 2bj7 h LEU 15 Ca 0.18 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2bj7 h LEU 15 Cb 0.24 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2bj7 h LEU 15 CO -0.01 0.68 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.37 2bj7 h GLU 16 N 0.34 -0.19 -0.50 1.25 5.08 -0.63 0.06 114.58 119.99 2bj7 h GLU 16 Ca 0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2bj7 h GLU 16 Cb 0.69 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2bj7 h GLU 16 CO 0.05 -0.11 0.32 -0.22 -1.00 0.00 0.00 179.01 178.06 2bj7 h LYS 17 N -0.22 0.67 -0.57 2.33 3.64 -1.43 -1.37 116.57 119.63 2bj7 h LYS 17 Ca -0.02 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2bj7 h LYS 17 Cb 0.17 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2bj7 h LYS 17 CO 0.03 0.46 0.38 0.35 -2.27 0.00 0.00 179.45 178.40 2bj7 h PHE 18 N 0.68 0.72 -0.51 1.91 3.57 -1.19 -2.08 116.94 120.03 2bj7 h PHE 18 Ca 0.18 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 2bj7 h PHE 18 Cb -0.05 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 2bj7 h PHE 18 CO -0.03 0.45 0.23 -0.44 -2.23 0.00 0.00 178.31 176.29 2bj7 h ASP 19 N 0.77 0.69 0.00 0.41 3.32 -0.59 -1.99 116.42 119.03 2bj7 h ASP 19 Ca 0.21 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.14 2bj7 h ASP 19 Cb -0.09 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 2bj7 h ASP 19 CO -0.05 0.64 -0.15 -0.61 -1.72 0.00 0.00 179.24 177.35 2bj7 h GLN 20 N 0.69 -0.24 0.23 3.56 4.15 -0.92 -1.92 115.11 120.66 2bj7 h GLN 20 Ca 0.18 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.61 2bj7 h GLN 20 Cb 0.15 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2bj7 h GLN 20 CO -0.02 -0.16 -0.22 0.82 -1.93 0.00 0.00 178.83 177.31 2bj7 h ILE 21 N -0.25 0.52 0.00 2.39 2.04 -1.25 -2.48 117.51 118.48 2bj7 h ILE 21 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 2bj7 h ILE 21 Cb 0.32 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2bj7 h ILE 21 CO -0.14 0.00 -0.11 0.16 0.00 0.00 0.00 178.15 178.05 2bj7 h ILE 22 N -0.48 0.65 -0.18 -0.67 3.07 -1.31 -2.05 117.51 116.54 2bj7 h ILE 22 Ca -0.00 -0.47 -0.05 0.00 1.55 0.00 0.00 64.86 65.89 2bj7 h ILE 22 Cb 0.45 1.29 -0.00 0.00 -0.27 0.00 0.00 36.82 38.28 2bj7 h ILE 22 CO -0.05 0.11 -0.07 -0.33 -1.05 0.00 0.00 178.15 176.76 2bj7 h GLU 23 N 0.00 0.36 -0.05 0.16 5.08 -1.04 -0.81 114.58 118.30 2bj7 h GLU 23 Ca -0.00 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2bj7 h GLU 23 Cb 0.28 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2bj7 h GLU 23 CO 0.01 0.66 -0.09 0.93 -1.00 0.00 0.00 179.01 179.52 2bj7 h GLU 24 N 0.05 -0.13 -0.36 2.33 5.08 -0.95 -1.59 114.58 119.00 2bj7 h GLU 24 Ca 0.04 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 2bj7 h GLU 24 Cb 0.54 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2bj7 h GLU 24 CO 0.02 -0.09 0.34 0.82 -1.00 0.00 0.00 179.01 179.11 2bj7 h ILE 25 N -0.14 0.51 0.00 3.13 2.04 -1.38 -3.45 117.51 118.22 2bj7 h ILE 25 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2bj7 h ILE 25 Cb 0.21 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2bj7 h ILE 25 CO -0.13 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.63 2bj7 n GLY 26 N -1.50 1.10 3.77 5.37 0.00 -0.60 -5.08 105.19 108.25 2bj7 n GLY 26 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2bj7 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bj7 s TYR 27 N -2.00 3.10 0.01 1.61 1.51 -0.34 -4.94 117.35 116.30 2bj7 s TYR 27 Ca 0.00 1.56 0.11 0.00 -1.01 0.00 0.00 57.07 57.73 2bj7 s TYR 27 Cb 0.00 -3.38 -0.16 0.00 -0.11 0.00 0.00 41.96 38.31 2bj7 s TYR 27 CO 0.00 -1.26 1.12 0.93 -1.11 0.00 0.00 175.55 175.23 2bj7 h GLU 28 N 2.72 0.00 -3.07 -0.62 5.08 -1.96 -3.43 114.58 113.30 2bj7 h GLU 28 Ca -0.49 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 2bj7 h GLU 28 Cb 1.23 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.40 2bj7 h GLU 28 CO 0.63 0.71 0.18 0.54 -1.00 0.00 0.00 179.01 180.07 2bj7 s ASN 29 N -6.42 -0.36 0.41 1.42 2.20 -1.26 -5.05 114.94 105.88 2bj7 s ASN 29 Ca -0.00 -0.39 0.07 0.00 -0.94 0.00 0.00 52.86 51.60 2bj7 s ASN 29 Cb 0.09 0.66 0.86 0.00 -2.00 0.00 0.00 41.25 40.86 2bj7 s ASN 29 CO 0.81 -1.17 2.06 0.03 -2.94 0.00 0.00 177.10 175.89 2bj7 h ARG 30 N 2.04 0.54 -0.26 3.55 3.08 -2.00 -2.58 114.38 118.76 2bj7 h ARG 30 Ca -0.26 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 2bj7 h ARG 30 Cb 1.27 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 2bj7 h ARG 30 CO 0.31 0.36 -0.01 0.77 -1.07 0.00 0.00 179.97 180.33 2bj7 h SER 31 N 0.56 0.36 -0.06 7.04 0.02 -1.98 -1.08 113.55 118.40 2bj7 h SER 31 Ca 0.15 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2bj7 h SER 31 Cb -0.05 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2bj7 h SER 31 CO -0.03 0.43 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.74 2bj7 h GLU 32 N 0.37 0.11 0.09 3.45 5.08 -1.88 -1.11 114.58 120.70 2bj7 h GLU 32 Ca 0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2bj7 h GLU 32 Cb 0.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2bj7 h GLU 32 CO 0.01 0.44 -0.04 0.00 -1.00 0.00 0.00 179.01 178.42 2bj7 h ALA 33 N 0.67 -0.12 -0.51 3.43 0.00 -1.51 -1.79 119.26 119.42 2bj7 h ALA 33 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2bj7 h ALA 33 Cb 0.40 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2bj7 h ALA 33 CO 0.01 -0.55 0.16 0.82 0.00 0.00 0.00 179.25 179.69 2bj7 h ILE 34 N -0.17 1.20 -0.69 0.00 2.04 -1.25 -0.49 117.51 118.16 2bj7 h ILE 34 Ca -0.01 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.19 2bj7 h ILE 34 Cb 0.14 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 2bj7 h ILE 34 CO 0.02 0.26 0.42 -0.09 0.00 0.00 0.00 178.15 178.76 2bj7 h ARG 35 N 0.74 0.79 -0.51 2.37 2.43 -0.94 0.65 114.38 119.91 2bj7 h ARG 35 Ca 0.17 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 2bj7 h ARG 35 Cb 0.22 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2bj7 h ARG 35 CO -0.01 0.52 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.37 2bj7 h ASP 36 N 0.81 1.02 -0.75 -3.80 3.32 -0.38 -1.56 116.42 115.09 2bj7 h ASP 36 Ca 0.28 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2bj7 h ASP 36 Cb 0.05 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 2bj7 h ASP 36 CO -0.12 1.16 0.33 -0.07 -1.72 0.00 0.00 179.24 178.82 2bj7 h LEU 37 N 0.88 1.02 -0.39 1.55 3.38 -0.54 -1.59 115.31 119.62 2bj7 h LEU 37 Ca 0.12 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2bj7 h LEU 37 Cb 0.74 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2bj7 h LEU 37 CO 0.06 0.89 -0.18 0.40 0.09 0.00 0.00 178.44 179.70 2bj7 h ILE 38 N 1.10 1.28 -0.40 1.22 2.04 -0.67 -1.66 117.51 120.42 2bj7 h ILE 38 Ca 0.26 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 2bj7 h ILE 38 Cb 0.17 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2bj7 h ILE 38 CO -0.03 0.44 0.18 -0.09 0.00 0.00 0.00 178.15 178.65 2bj7 h ARG 39 N 0.62 0.58 -0.74 2.37 2.43 -1.01 -1.19 114.38 117.44 2bj7 h ARG 39 Ca 0.09 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2bj7 h ARG 39 Cb 0.73 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 2bj7 h ARG 39 CO 0.06 0.53 0.40 -0.44 -1.51 0.00 0.00 179.97 179.01 2bj7 h ASP 40 N 0.50 0.94 -0.20 -3.80 3.45 -1.27 -1.50 116.42 114.55 2bj7 h ASP 40 Ca 0.13 -0.10 0.01 0.00 0.43 0.00 0.00 57.03 57.51 2bj7 h ASP 40 Cb 0.15 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 2bj7 h ASP 40 CO -0.01 0.77 0.09 0.15 -1.57 0.00 0.00 179.24 178.67 2bj7 h PHE 41 N 1.03 0.16 -0.39 4.55 3.57 -0.99 -0.57 116.94 124.30 2bj7 h PHE 41 Ca 0.26 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.79 2bj7 h PHE 41 Cb 0.05 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2bj7 h PHE 41 CO 0.00 0.09 0.23 0.82 -2.23 0.00 0.00 178.31 177.22 2bj7 h ILE 42 N 0.19 1.04 -0.36 1.41 2.04 -0.88 -1.10 117.51 119.86 2bj7 h ILE 42 Ca 0.08 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2bj7 h ILE 42 Cb 0.03 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2bj7 h ILE 42 CO -0.07 0.08 0.18 0.40 0.00 0.00 0.00 178.15 178.74 2bj7 h ILE 43 N 0.46 0.98 0.00 -0.67 2.04 -0.93 -1.61 117.51 117.78 2bj7 h ILE 43 Ca 0.15 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 2bj7 h ILE 43 Cb 0.00 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2bj7 h ILE 43 CO -0.07 0.07 -0.27 0.03 0.00 0.00 0.00 178.15 177.90 2bj7 h ARG 44 N 0.36 0.00 -0.58 2.37 3.08 -0.83 -2.67 114.38 116.11 2bj7 h ARG 44 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2bj7 h ARG 44 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2bj7 h ARG 44 CO -0.11 0.27 0.00 0.72 -1.07 0.00 0.00 179.97 179.78 2bj7 n HIS 45 N -4.03 0.88 -0.01 3.04 8.25 -0.44 -4.05 115.22 118.86 2bj7 n HIS 45 Ca -0.02 -0.40 0.04 0.00 -0.26 0.00 0.00 57.72 57.08 2bj7 n HIS 45 Cb 0.34 -0.07 -0.08 0.00 1.12 0.00 0.00 29.99 31.30 2bj7 n HIS 45 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2bj7 n GLU 46 N 1.04 0.65 -1.69 -0.41 1.02 -0.67 -4.99 120.64 115.58 2bj7 n GLU 46 Ca 0.19 -0.09 -0.44 0.00 -0.02 0.00 0.00 57.16 56.81 2bj7 n GLU 46 Cb 0.55 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 30.69 2bj7 n GLU 46 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2bj7 n TRP 47 N -1.96 2.26 -3.09 -0.32 8.01 -1.22 -4.95 117.44 116.16 2bj7 n TRP 47 Ca -0.04 0.46 -0.32 0.00 -1.31 0.00 0.00 57.50 56.29 2bj7 n TRP 47 Cb 0.37 -2.45 -0.05 0.00 -2.01 0.00 0.00 31.31 27.17 2bj7 n TRP 47 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 2bj7 s GLU 48 N -0.94 3.92 -0.00 -0.99 2.56 -1.26 -5.00 118.70 116.99 2bj7 s GLU 48 Ca 0.63 0.58 0.03 0.00 0.00 0.00 0.00 54.97 56.20 2bj7 s GLU 48 Cb -0.61 -2.44 -0.04 0.00 2.00 0.00 0.00 34.13 33.04 2bj7 s GLU 48 CO 0.54 0.12 0.05 1.33 -0.56 0.00 0.00 175.26 176.75 2bj7 n VAL 49 N -0.59 0.00 -1.29 3.70 0.24 -1.26 -5.13 118.33 114.00 2bj7 n VAL 49 Ca 0.03 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 2bj7 n VAL 49 Cb 0.53 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 2bj7 n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bj7 n GLY 50 N 2.36 0.85 0.27 7.63 0.00 -1.26 -4.68 105.19 110.36 2bj7 n GLY 50 Ca -0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2bj7 n GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bj7 n ASN 51 N 1.28 0.00 -2.92 1.61 5.15 -1.26 -3.91 115.26 115.21 2bj7 n ASN 51 Ca 0.00 -1.01 -0.08 0.00 -0.60 0.00 0.00 54.58 52.89 2bj7 n ASN 51 Cb 0.00 -0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.32 2bj7 n ASN 51 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2bj7 n GLU 52 N 0.00 -2.19 -3.35 1.20 0.28 -1.26 -4.13 120.64 111.18 2bj7 n GLU 52 Ca 0.00 -0.41 -0.38 0.00 -0.16 0.00 0.00 57.16 56.21 2bj7 n GLU 52 Cb 0.50 -0.46 -0.06 0.00 1.43 0.00 0.00 31.44 32.85 2bj7 n GLU 52 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2bj7 s GLU 53 N -3.59 4.27 0.11 3.44 2.56 -1.26 -1.20 118.70 123.03 2bj7 s GLU 53 Ca 0.18 0.43 -0.00 0.00 0.00 0.00 0.00 54.97 55.58 2bj7 s GLU 53 Cb -0.02 -3.40 -0.04 0.00 2.00 0.00 0.00 34.13 32.66 2bj7 s GLU 53 CO 0.14 0.25 -0.00 0.14 -0.56 0.00 0.00 175.26 175.23 2bj7 s VAL 54 N 0.32 0.35 -0.00 3.70 -7.23 0.76 -4.72 120.40 113.58 2bj7 s VAL 54 Ca 0.25 -1.90 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 2bj7 s VAL 54 Cb -0.15 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 2bj7 s VAL 54 CO 0.10 -0.72 -0.17 0.00 -0.31 0.00 0.00 175.10 174.01 2bj7 s ALA 55 N -3.86 1.43 0.27 1.32 0.00 -0.49 -0.75 121.76 119.67 2bj7 s ALA 55 Ca 0.16 -0.77 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 2bj7 s ALA 55 Cb 0.07 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2bj7 s ALA 55 CO -0.03 0.34 0.51 0.41 0.00 0.00 0.00 175.76 176.99 2bj7 n GLY 56 N 2.52 1.49 3.01 0.00 0.00 0.80 -1.31 105.19 111.70 2bj7 n GLY 56 Ca -0.15 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 2bj7 n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bj7 s THR 57 N -2.44 0.43 -0.21 2.61 -4.23 -0.27 -0.23 115.64 111.31 2bj7 s THR 57 Ca 0.12 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 2bj7 s THR 57 Cb -0.03 -0.46 0.04 0.00 1.34 0.00 0.00 72.50 73.40 2bj7 s THR 57 CO 0.09 -0.20 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.23 2bj7 s ILE 58 N -0.89 1.74 -0.18 2.99 1.01 0.24 -0.97 121.20 125.14 2bj7 s ILE 58 Ca -0.06 -1.11 -0.09 0.00 0.00 0.00 0.00 60.65 59.39 2bj7 s ILE 58 Cb -0.07 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 2bj7 s ILE 58 CO 0.00 0.15 0.14 -0.89 0.00 0.00 0.00 174.94 174.34 2bj7 s THR 59 N 1.35 5.43 0.02 2.92 2.01 -0.41 -0.48 115.64 126.46 2bj7 s THR 59 Ca -0.02 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 2bj7 s THR 59 Cb -0.17 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 2bj7 s THR 59 CO -0.08 0.49 0.07 0.27 -0.69 0.00 0.00 174.62 174.67 2bj7 s ILE 60 N -0.01 0.10 -0.02 1.82 -4.36 0.42 -1.41 121.20 117.74 2bj7 s ILE 60 Ca 0.10 -0.85 0.04 0.00 -0.26 0.00 0.00 60.65 59.68 2bj7 s ILE 60 Cb -0.11 -0.46 -0.00 0.00 1.25 0.00 0.00 42.46 43.13 2bj7 s ILE 60 CO -0.00 -0.47 -0.12 -0.69 0.24 0.00 0.00 174.94 173.90 2bj7 s VAL 61 N -1.64 0.99 0.21 8.37 1.01 -0.67 -0.18 120.40 128.49 2bj7 s VAL 61 Ca -0.13 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 2bj7 s VAL 61 Cb -0.07 -0.84 0.05 0.00 0.00 0.00 0.00 36.38 35.51 2bj7 s VAL 61 CO -0.00 0.29 0.69 -0.72 0.00 0.00 0.00 175.10 175.35 2bj7 s TYR 62 N -0.10 -0.35 -0.39 5.22 -0.85 -0.58 -1.16 117.35 119.13 2bj7 s TYR 62 Ca 0.01 0.03 -0.18 0.00 -0.52 0.00 0.00 57.07 56.41 2bj7 s TYR 62 Cb -0.07 0.63 0.01 0.00 0.38 0.00 0.00 41.96 42.91 2bj7 s TYR 62 CO 0.00 -1.01 0.52 1.21 -1.52 0.00 0.00 175.55 174.75 2bj7 s ASN 63 N -2.82 6.29 0.21 -0.18 3.84 -1.26 -0.57 114.94 120.44 2bj7 s ASN 63 Ca 0.06 -0.26 0.19 0.00 0.21 0.00 0.00 52.86 53.06 2bj7 s ASN 63 Cb -0.03 -2.27 0.87 0.00 -0.55 0.00 0.00 41.25 39.27 2bj7 s ASN 63 CO -0.03 -0.57 1.58 0.00 -2.79 0.00 0.00 177.10 175.28 2bj7 n HIS 64 N 5.83 0.57 1.03 0.43 1.44 -0.63 -1.55 115.22 122.35 2bj7 n HIS 64 Ca -0.05 0.25 0.12 0.00 -2.01 0.00 0.00 57.72 56.04 2bj7 n HIS 64 Cb 0.48 -0.91 0.32 0.00 0.12 0.00 0.00 29.99 30.01 2bj7 n HIS 64 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2bj7 n ASP 65 N -2.05 2.28 -4.75 4.39 8.00 -1.26 -4.62 116.55 118.53 2bj7 n ASP 65 Ca 0.01 -1.78 -0.39 0.00 0.71 0.00 0.00 54.79 53.34 2bj7 n ASP 65 Cb 0.13 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 2bj7 n ASP 65 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2bj7 s GLU 66 N -1.80 4.32 0.00 -1.24 2.12 -0.59 -4.96 118.70 116.54 2bj7 s GLU 66 Ca 0.34 0.68 0.00 0.00 0.36 0.00 0.00 54.97 56.36 2bj7 s GLU 66 Cb 0.20 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 31.22 2bj7 s GLU 66 CO 0.30 0.30 0.00 0.41 -0.54 0.00 0.00 175.26 175.73 2bj7 n GLY 67 N 2.66 1.68 1.15 -1.50 0.00 -1.26 -2.75 105.19 105.17 2bj7 n GLY 67 Ca -0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 2bj7 n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bj7 n ASP 68 N -0.22 2.95 -0.34 1.61 5.75 -1.26 -4.79 116.55 120.25 2bj7 n ASP 68 Ca 0.00 -3.85 0.02 0.00 -0.01 0.00 0.00 54.79 50.96 2bj7 n ASP 68 Cb 0.00 -0.48 0.17 0.00 -1.03 0.00 0.00 41.12 39.78 2bj7 n ASP 68 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2bj7 h VAL 69 N 1.41 1.05 -0.49 2.12 3.04 -1.72 0.60 116.25 122.27 2bj7 h VAL 69 Ca 0.15 -0.37 -0.02 0.00 -1.01 0.00 0.00 66.70 65.46 2bj7 h VAL 69 Cb 1.23 -0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.37 2bj7 h VAL 69 CO 0.31 0.20 0.24 0.58 -1.01 0.00 0.00 177.57 177.89 2bj7 h VAL 70 N 1.07 1.19 -0.26 1.51 2.07 -1.82 0.18 116.25 120.19 2bj7 h VAL 70 Ca 0.41 -0.52 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 2bj7 h VAL 70 Cb 0.20 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2bj7 h VAL 70 CO -0.18 0.20 -0.25 0.50 0.02 0.00 0.00 177.57 177.87 2bj7 h LYS 71 N 0.65 0.63 -0.45 1.57 3.64 -1.81 -2.57 116.57 118.22 2bj7 h LYS 71 Ca 0.17 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2bj7 h LYS 71 Cb 0.10 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2bj7 h LYS 71 CO -0.02 0.93 0.29 0.00 -2.27 0.00 0.00 179.45 178.37 2bj7 h ALA 72 N 0.69 0.57 -0.34 5.00 0.00 -0.72 -0.80 119.26 123.67 2bj7 h ALA 72 Ca 0.04 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2bj7 h ALA 72 Cb 0.80 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2bj7 h ALA 72 CO 0.06 0.03 0.17 -0.07 0.00 0.00 0.00 179.25 179.44 2bj7 h LEU 73 N 0.60 0.26 -0.07 0.00 3.38 -0.61 -0.95 115.31 117.93 2bj7 h LEU 73 Ca 0.16 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2bj7 h LEU 73 Cb -0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2bj7 h LEU 73 CO -0.03 0.19 0.03 -0.07 0.09 0.00 0.00 178.44 178.65 2bj7 h LEU 74 N 0.36 0.09 -0.63 1.67 3.38 -1.21 -1.61 115.31 117.35 2bj7 h LEU 74 Ca 0.14 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2bj7 h LEU 74 Cb 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2bj7 h LEU 74 CO -0.09 0.22 0.41 0.44 0.09 0.00 0.00 178.44 179.51 2bj7 h ASP 75 N -0.04 0.69 -0.60 -0.43 3.45 -1.03 0.36 116.42 118.83 2bj7 h ASP 75 Ca 0.02 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.44 2bj7 h ASP 75 Cb 0.16 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 38.73 2bj7 h ASP 75 CO -0.00 0.50 0.25 0.25 -1.57 0.00 0.00 179.24 178.66 2bj7 h LEU 76 N 0.82 0.82 -0.53 1.55 5.85 -1.11 -2.77 115.31 119.94 2bj7 h LEU 76 Ca 0.24 -0.16 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 2bj7 h LEU 76 Cb -0.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2bj7 h LEU 76 CO -0.07 0.76 -0.25 1.56 -0.34 0.00 0.00 178.44 180.10 2bj7 h GLN 77 N 0.83 0.92 0.00 1.25 4.20 -0.91 -2.73 115.11 118.68 2bj7 h GLN 77 Ca 0.20 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2bj7 h GLN 77 Cb 0.19 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2bj7 h GLN 77 CO -0.02 1.06 0.00 0.72 -0.67 0.00 0.00 178.83 179.93 2bj7 n HIS 78 N -4.10 0.21 0.16 2.96 8.25 0.08 -1.64 115.22 121.14 2bj7 n HIS 78 Ca -0.00 0.09 0.07 0.00 -0.26 0.00 0.00 57.72 57.61 2bj7 n HIS 78 Cb 0.47 -0.64 0.07 0.00 1.12 0.00 0.00 29.99 31.02 2bj7 n HIS 78 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2bj7 h GLU 79 N 0.00 0.00 -1.77 -0.41 5.08 -1.20 -3.34 114.58 112.93 2bj7 h GLU 79 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 2bj7 h GLU 79 Cb 0.24 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.09 2bj7 h GLU 79 CO 0.00 0.22 -0.42 0.66 -1.00 0.00 0.00 179.01 178.47 2bj7 n TYR 80 N -3.08 3.48 0.13 4.33 4.02 -0.65 -4.84 117.16 120.54 2bj7 n TYR 80 Ca 0.02 -3.19 0.18 0.00 -0.01 0.00 0.00 57.90 54.90 2bj7 n TYR 80 Cb 0.64 -0.35 0.76 0.00 -0.02 0.00 0.00 39.34 40.37 2bj7 n TYR 80 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2bj7 h LEU 81 N 2.78 0.00 -0.15 7.72 3.38 -1.69 -1.66 115.31 125.69 2bj7 h LEU 81 Ca 0.31 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.05 2bj7 h LEU 81 Cb 0.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2bj7 h LEU 81 CO 0.93 0.00 -0.84 0.44 0.09 0.00 0.00 178.44 179.06 2bj7 h ASP 82 N 0.00 0.90 0.53 -0.43 3.32 -1.92 -3.35 116.42 115.47 2bj7 h ASP 82 Ca 0.15 -0.62 -0.29 0.00 0.02 0.00 0.00 57.03 56.29 2bj7 h ASP 82 Cb 0.72 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2bj7 h ASP 82 CO -0.00 1.41 -1.58 -0.33 -1.72 0.00 0.00 179.24 177.03 2bj7 h GLU 83 N 0.49 0.09 -5.89 3.56 3.07 -1.59 -3.45 114.58 110.86 2bj7 h GLU 83 Ca -0.07 -0.15 -0.60 0.00 -0.50 0.00 0.00 59.36 58.05 2bj7 h GLU 83 Cb 1.47 0.05 -0.10 0.00 -0.84 0.00 0.00 28.75 29.33 2bj7 h GLU 83 CO 0.17 0.80 0.48 0.42 -1.40 0.00 0.00 179.01 179.48 2bj7 s ILE 84 N -2.62 4.72 -0.12 3.13 1.01 -0.69 -1.09 121.20 125.53 2bj7 s ILE 84 Ca -0.07 1.20 -0.15 0.00 0.00 0.00 0.00 60.65 61.64 2bj7 s ILE 84 Cb 0.08 -4.22 -0.13 0.00 0.01 0.00 0.00 42.46 38.20 2bj7 s ILE 84 CO 0.82 -0.35 0.37 0.40 0.00 0.00 0.00 174.94 176.19 2bj7 h ILE 85 N 5.67 0.89 -2.50 2.92 2.04 -1.35 -3.45 117.51 121.73 2bj7 h ILE 85 Ca -0.24 -1.68 0.15 0.00 1.00 0.00 0.00 64.86 64.09 2bj7 h ILE 85 Cb 1.09 1.69 -0.08 0.00 -0.74 0.00 0.00 36.82 38.78 2bj7 h ILE 85 CO 0.92 0.30 0.42 -0.44 0.00 0.00 0.00 178.15 179.35 2bj7 s SER 86 N -5.90 -0.21 -0.00 1.72 0.01 -1.24 -5.03 113.70 103.05 2bj7 s SER 86 Ca -0.10 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.73 2bj7 s SER 86 Cb -0.01 0.54 -0.00 0.00 0.21 0.00 0.00 66.02 66.76 2bj7 s SER 86 CO 0.35 -1.00 -0.01 -0.94 0.41 0.00 0.00 173.24 172.05 2bj7 s SER 87 N -2.92 0.15 -0.14 2.44 1.04 -1.26 -1.04 113.70 111.97 2bj7 s SER 87 Ca 0.12 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.48 2bj7 s SER 87 Cb -0.02 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 2bj7 s SER 87 CO 0.03 0.01 0.01 -0.22 0.98 0.00 0.00 173.24 174.05 2bj7 s LEU 88 N -0.03 3.53 -0.06 2.42 2.96 0.38 -4.94 118.68 122.95 2bj7 s LEU 88 Ca 0.00 0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 2bj7 s LEU 88 Cb -0.00 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 2bj7 s LEU 88 CO -0.00 0.24 -0.20 -2.28 -1.32 0.00 0.00 176.35 172.78 2bj7 s HIS 89 N -0.02 2.05 -0.10 5.38 5.65 -1.26 -0.61 115.29 126.37 2bj7 s HIS 89 Ca 0.03 -0.64 0.02 0.00 0.25 0.00 0.00 55.06 54.72 2bj7 s HIS 89 Cb -0.13 -1.37 0.01 0.00 -1.18 0.00 0.00 32.58 29.92 2bj7 s HIS 89 CO 0.02 -0.22 -0.14 0.08 -0.65 0.00 0.00 174.74 173.83 2bj7 s VAL 90 N 0.04 1.40 -0.54 0.89 1.01 -0.07 -5.00 120.40 118.13 2bj7 s VAL 90 Ca -0.06 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 2bj7 s VAL 90 Cb -0.13 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 35.00 2bj7 s VAL 90 CO 0.04 0.42 1.02 -1.00 0.00 0.00 0.00 175.10 175.58 2bj7 s HIS 91 N 0.98 2.76 -0.02 5.22 3.76 -1.26 -1.31 115.29 125.42 2bj7 s HIS 91 Ca -0.07 0.23 -0.25 0.00 -0.15 0.00 0.00 55.06 54.82 2bj7 s HIS 91 Cb -0.15 -4.20 -0.20 0.00 1.11 0.00 0.00 32.58 29.14 2bj7 s HIS 91 CO -0.01 -1.37 1.21 0.52 -0.85 0.00 0.00 174.74 174.24 2bj7 h MET 92 N 9.33 0.11 0.00 1.40 2.86 -1.31 -3.49 114.93 123.83 2bj7 h MET 92 Ca -0.25 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 2bj7 h MET 92 Cb 1.07 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 2bj7 h MET 92 CO 1.11 0.65 0.00 -0.40 1.06 0.00 0.00 176.91 179.33 2bj7 n ASP 93 N -4.71 -0.11 -0.34 1.22 5.68 -1.10 -4.98 116.55 112.21 2bj7 n ASP 93 Ca -0.08 -1.11 0.27 0.00 -0.50 0.00 0.00 54.79 53.37 2bj7 n ASP 93 Cb 0.33 0.19 0.57 0.00 -1.14 0.00 0.00 41.12 41.08 2bj7 n ASP 93 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2bj7 h GLU 94 N 0.00 0.27 0.00 0.11 4.81 -2.04 -3.24 114.58 114.49 2bj7 h GLU 94 Ca -0.02 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2bj7 h GLU 94 Cb 0.08 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2bj7 h GLU 94 CO 0.02 0.18 -1.26 0.72 -0.73 0.00 0.00 179.01 177.94 2bj7 n HIS 95 N -4.56 0.00 -3.28 0.92 8.25 -1.26 -5.01 115.22 110.28 2bj7 n HIS 95 Ca 0.27 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.35 2bj7 n HIS 95 Cb 1.03 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 31.90 2bj7 n HIS 95 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2bj7 s ASN 96 N -3.72 6.99 0.05 0.41 0.01 -1.23 -1.61 114.94 115.85 2bj7 s ASN 96 Ca -0.03 1.18 0.07 0.00 -0.71 0.00 0.00 52.86 53.37 2bj7 s ASN 96 Cb 0.01 -2.35 -0.03 0.00 0.41 0.00 0.00 41.25 39.30 2bj7 s ASN 96 CO 0.14 0.21 -0.20 0.00 -1.51 0.00 0.00 177.10 175.75 2bj7 s LEU 98 N -1.25 2.49 0.01 0.00 0.20 -0.42 -1.52 118.68 118.17 2bj7 s LEU 98 Ca 0.06 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.56 2bj7 s LEU 98 Cb -0.09 -1.51 -0.01 0.00 -0.43 0.00 0.00 46.19 44.16 2bj7 s LEU 98 CO 0.02 0.26 -0.08 -0.70 -0.29 0.00 0.00 176.35 175.55 2bj7 s GLU 99 N -0.20 0.62 -0.13 1.98 2.12 0.75 -0.89 118.70 122.94 2bj7 s GLU 99 Ca -0.01 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.94 2bj7 s GLU 99 Cb -0.13 -0.57 0.02 0.00 0.26 0.00 0.00 34.13 33.71 2bj7 s GLU 99 CO 0.03 0.15 -0.11 0.08 -0.54 0.00 0.00 175.26 174.87 2bj7 s VAL 100 N -0.42 1.34 -0.24 3.70 1.01 0.22 -0.44 120.40 125.57 2bj7 s VAL 100 Ca 0.01 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 2bj7 s VAL 100 Cb -0.04 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2bj7 s VAL 100 CO -0.00 0.42 0.08 -0.63 0.00 0.00 0.00 175.10 174.97 2bj7 s ILE 101 N 1.57 4.52 -0.12 2.22 1.01 0.37 -0.47 121.20 130.30 2bj7 s ILE 101 Ca 0.05 -0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.41 2bj7 s ILE 101 Cb -0.13 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 2bj7 s ILE 101 CO -0.09 0.36 0.46 -0.69 0.00 0.00 0.00 174.94 174.97 2bj7 s VAL 102 N 1.33 5.20 0.15 2.92 1.01 -0.20 -0.59 120.40 130.21 2bj7 s VAL 102 Ca 0.05 0.91 0.05 0.00 0.00 0.00 0.00 61.98 62.99 2bj7 s VAL 102 Cb -0.15 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2bj7 s VAL 102 CO 0.04 0.33 -0.11 0.68 0.00 0.00 0.00 175.10 176.05 2bj7 s VAL 103 N 0.59 1.24 -0.14 2.92 -7.23 0.68 -0.96 120.40 117.51 2bj7 s VAL 103 Ca 0.25 -2.07 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 2bj7 s VAL 103 Cb -0.15 -1.86 0.04 0.00 0.56 0.00 0.00 36.38 34.97 2bj7 s VAL 103 CO 0.10 -0.72 0.35 -1.59 -0.31 0.00 0.00 175.10 172.92 2bj7 s LYS 104 N -3.72 0.38 0.00 4.82 -2.85 -0.25 -0.14 119.74 117.98 2bj7 s LYS 104 Ca 0.17 0.56 0.00 0.00 -1.00 0.00 0.00 55.97 55.70 2bj7 s LYS 104 Cb 0.02 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 2bj7 s LYS 104 CO 0.01 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.79 2bj7 n GLY 105 N 3.34 -0.73 3.73 0.59 0.00 0.07 -4.41 105.19 107.78 2bj7 n GLY 105 Ca -0.17 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2bj7 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bj7 s GLU 106 N -2.00 4.37 0.37 1.61 2.02 -1.26 -0.17 118.70 123.64 2bj7 s GLU 106 Ca 0.00 2.02 0.17 0.00 0.02 0.00 0.00 54.97 57.18 2bj7 s GLU 106 Cb 0.00 -3.24 1.08 0.00 0.10 0.00 0.00 34.13 32.07 2bj7 s GLU 106 CO 0.00 -0.32 1.72 0.00 0.02 0.00 0.00 175.26 176.68 2bj7 h ALA 107 N 6.12 2.12 0.42 5.21 0.00 -1.31 -0.90 119.26 130.92 2bj7 h ALA 107 Ca -0.43 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2bj7 h ALA 107 Cb 1.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2bj7 h ALA 107 CO 0.81 -0.61 -0.20 -0.22 0.00 0.00 0.00 179.25 179.03 2bj7 h LYS 108 N 0.40 -0.54 -0.45 0.00 1.63 -1.85 -1.48 116.57 114.27 2bj7 h LYS 108 Ca 0.66 0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 60.42 2bj7 h LYS 108 Cb 1.58 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 33.31 2bj7 h LYS 108 CO -0.41 -0.33 -0.03 -0.22 -3.45 0.00 0.00 179.45 175.01 2bj7 h LYS 109 N -0.62 0.76 -0.23 1.90 3.64 -1.65 -2.16 116.57 118.21 2bj7 h LYS 109 Ca -0.06 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 2bj7 h LYS 109 Cb 0.46 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2bj7 h LYS 109 CO 0.09 0.80 0.09 0.82 -2.27 0.00 0.00 179.45 178.98 2bj7 h ILE 110 N 0.71 1.17 -0.90 2.00 1.08 -1.13 0.07 117.51 120.50 2bj7 h ILE 110 Ca 0.13 -0.51 0.05 0.00 -0.39 0.00 0.00 64.86 64.15 2bj7 h ILE 110 Cb 0.48 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 35.25 2bj7 h ILE 110 CO 0.02 0.17 0.58 0.50 -0.69 0.00 0.00 178.15 178.73 2bj7 h LYS 111 N 0.22 1.05 -0.49 2.37 1.63 -1.12 0.83 116.57 121.07 2bj7 h LYS 111 Ca 0.08 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 2bj7 h LYS 111 Cb 0.18 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 2bj7 h LYS 111 CO -0.01 0.70 0.02 1.98 -3.45 0.00 0.00 179.45 178.69 2bj7 h MET 112 N 1.08 0.85 -0.26 1.90 4.05 -0.99 -0.58 114.93 120.99 2bj7 h MET 112 Ca 0.38 -0.26 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 2bj7 h MET 112 Cb 0.09 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 2bj7 h MET 112 CO -0.15 0.88 0.03 0.82 0.23 0.00 0.00 176.91 178.72 2bj7 h ILE 113 N 0.71 1.24 -0.89 1.77 2.04 -0.26 -2.29 117.51 119.82 2bj7 h ILE 113 Ca 0.14 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.20 2bj7 h ILE 113 Cb 0.48 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 2bj7 h ILE 113 CO 0.02 0.26 0.59 0.00 0.00 0.00 0.00 178.15 179.02 2bj7 h ALA 114 N 0.85 1.15 -0.58 1.87 0.00 -0.75 -1.70 119.26 120.11 2bj7 h ALA 114 Ca 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2bj7 h ALA 114 Cb 0.36 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2bj7 h ALA 114 CO 0.01 0.49 0.36 -0.44 0.00 0.00 0.00 179.25 179.67 2bj7 h ASP 115 N 1.17 0.60 -0.45 0.00 3.32 -0.88 -0.48 116.42 119.71 2bj7 h ASP 115 Ca 0.34 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 2bj7 h ASP 115 Cb -0.07 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2bj7 h ASP 115 CO -0.09 0.43 0.07 0.11 -1.72 0.00 0.00 179.24 178.04 2bj7 h LYS 116 N 0.73 0.75 -0.00 3.56 1.57 -0.93 -2.05 116.57 120.19 2bj7 h LYS 116 Ca 0.23 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2bj7 h LYS 116 Cb -0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2bj7 h LYS 116 CO -0.08 0.77 0.00 -0.07 -0.57 0.00 0.00 179.45 179.50 2bj7 h LEU 117 N 0.61 0.00 -1.75 2.94 3.38 -1.04 -2.75 115.31 116.70 2bj7 h LEU 117 Ca 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2bj7 h LEU 117 Cb 0.38 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2bj7 h LEU 117 CO 0.01 0.18 -0.06 -0.07 0.09 0.00 0.00 178.44 178.58 2bj7 h LEU 118 N -0.17 0.00 -2.05 1.67 3.38 -1.10 -2.54 115.31 114.50 2bj7 h LEU 118 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bj7 h LEU 118 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2bj7 h LEU 118 CO -0.00 0.06 0.00 -1.54 0.09 0.00 0.00 178.44 177.05 2bj7 n SER 119 N -3.25 3.07 -4.76 -0.43 3.41 -0.77 -4.88 113.62 106.01 2bj7 n SER 119 Ca -0.01 -1.94 -0.41 0.00 -0.26 0.00 0.00 58.87 56.25 2bj7 n SER 119 Cb 0.27 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 2bj7 n SER 119 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2bj7 s LEU 120 N -1.53 4.42 0.26 1.04 1.43 -0.96 -4.94 118.68 118.40 2bj7 s LEU 120 Ca 0.37 2.61 -0.30 0.00 -1.03 0.00 0.00 54.13 55.78 2bj7 s LEU 120 Cb 0.22 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.70 2bj7 s LEU 120 CO 0.30 -0.56 1.51 -0.75 0.23 0.00 0.00 176.35 177.08 2bj7 s LYS 121 N -1.07 4.21 0.00 1.70 2.20 -1.26 -2.08 119.74 123.44 2bj7 s LYS 121 Ca 0.53 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 2bj7 s LYS 121 Cb -0.39 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 2bj7 s LYS 121 CO 0.47 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 2bj7 n GLY 122 N 2.37 2.49 3.65 5.54 0.00 -1.26 -4.39 105.19 113.60 2bj7 n GLY 122 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2bj7 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bj7 s VAL 123 N -2.44 4.40 0.10 1.61 1.01 -0.88 -4.25 120.40 119.95 2bj7 s VAL 123 Ca 0.00 1.66 -0.12 0.00 0.00 0.00 0.00 61.98 63.52 2bj7 s VAL 123 Cb 0.00 -4.21 -0.18 0.00 0.00 0.00 0.00 36.38 32.00 2bj7 s VAL 123 CO 0.00 -0.30 1.28 0.11 0.00 0.00 0.00 175.10 176.19 2bj7 h LYS 124 N 8.22 0.72 -2.72 2.72 1.57 -1.48 -3.48 116.57 122.13 2bj7 h LYS 124 Ca -0.23 -0.65 0.03 0.00 -1.87 0.00 0.00 60.65 57.93 2bj7 h LYS 124 Cb 1.08 0.16 -0.13 0.00 0.08 0.00 0.00 32.23 33.42 2bj7 h LYS 124 CO 1.00 1.25 0.32 -1.58 -0.57 0.00 0.00 179.45 179.88 2bj7 s HIS 125 N -3.58 -0.46 0.00 -1.35 5.04 -1.20 -5.02 115.29 108.72 2bj7 s HIS 125 Ca -0.10 0.27 0.00 0.00 -1.54 0.00 0.00 55.06 53.69 2bj7 s HIS 125 Cb 0.08 0.55 0.00 0.00 0.04 0.00 0.00 32.58 33.26 2bj7 s HIS 125 CO 0.90 -0.74 0.00 0.41 -2.34 0.00 0.00 174.74 172.98 2bj7 n GLY 126 N -0.33 0.95 3.22 1.59 0.00 -1.26 -1.67 105.19 107.70 2bj7 n GLY 126 Ca -0.14 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 2bj7 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bj7 s LYS 127 N -2.00 0.60 -0.09 1.61 -0.14 -0.50 -4.98 119.74 114.25 2bj7 s LYS 127 Ca 0.00 -0.14 -0.03 0.00 -1.36 0.00 0.00 55.97 54.44 2bj7 s LYS 127 Cb 0.00 0.27 -0.04 0.00 -1.68 0.00 0.00 37.83 36.38 2bj7 s LYS 127 CO 0.00 -0.16 0.06 -1.17 -0.76 0.00 0.00 175.35 173.33 2bj7 s LEU 128 N -1.14 3.90 -0.16 3.17 2.96 -1.26 -1.29 118.68 124.87 2bj7 s LEU 128 Ca -0.12 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.04 2bj7 s LEU 128 Cb -0.05 -1.97 0.04 0.00 0.50 0.00 0.00 46.19 44.71 2bj7 s LEU 128 CO 0.03 0.37 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.70 2bj7 s VAL 129 N -0.98 1.02 -0.09 1.68 1.01 -0.15 -5.00 120.40 117.90 2bj7 s VAL 129 Ca 0.15 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.58 2bj7 s VAL 129 Cb -0.12 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 2bj7 s VAL 129 CO 0.05 0.12 -0.14 -0.04 0.00 0.00 0.00 175.10 175.08 2bj7 s MET 130 N 1.67 2.90 0.06 2.72 -1.94 -1.26 -1.11 119.30 122.34 2bj7 s MET 130 Ca 0.01 -0.70 -0.06 0.00 -1.71 0.00 0.00 55.69 53.23 2bj7 s MET 130 Cb -0.15 -2.49 -0.01 0.00 2.01 0.00 0.00 34.83 34.19 2bj7 s MET 130 CO -0.08 0.43 0.12 -0.08 -0.01 0.00 0.00 175.02 175.40 2bj7 s THR 131 N -0.23 0.15 -0.35 2.05 -1.32 -0.43 -5.00 115.64 110.51 2bj7 s THR 131 Ca 0.01 -1.24 -0.13 0.00 -1.21 0.00 0.00 61.69 59.13 2bj7 s THR 131 Cb -0.13 -1.17 -0.01 0.00 -1.51 0.00 0.00 72.50 69.68 2bj7 s THR 131 CO 0.03 -0.68 0.23 -0.55 -2.21 0.00 0.00 174.62 171.44 2bj7 s SER 132 N -2.53 5.98 0.00 8.08 0.15 -1.26 -1.40 113.70 122.71 2bj7 s SER 132 Ca 0.01 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.12 2bj7 s SER 132 Cb 0.03 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2bj7 s SER 132 CO -0.08 -0.27 0.11 0.35 1.20 0.00 0.00 173.24 174.55 2bj7 n THR 133 N 5.09 0.00 0.00 6.45 -2.24 -1.26 -4.58 114.28 117.74 2bj7 n THR 133 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2bj7 n THR 133 Cb 0.49 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 2bj7 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bj7 n GLY 134 N -0.50 0.19 3.85 3.38 0.00 -1.26 -5.03 105.19 105.81 2bj7 n GLY 134 Ca 0.00 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 2bj7 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bj7 s LYS 135 N 0.00 4.01 0.79 1.61 1.02 -1.26 -5.03 119.74 120.88 2bj7 s LYS 135 Ca 0.00 0.60 -0.17 0.00 0.02 0.00 0.00 55.97 56.41 2bj7 s LYS 135 Cb 0.00 -2.66 -0.13 0.00 -0.52 0.00 0.00 37.83 34.51 2bj7 s LYS 135 CO 0.00 0.30 -0.39 -1.91 -0.92 0.00 0.00 175.35 172.43 2bj7 n GLU 136 N 0.13 0.02 0.00 1.68 2.13 -1.26 -5.07 120.64 118.26 2bj7 n GLU 136 Ca 0.00 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2bj7 n GLU 136 Cb 0.52 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 31.13 2bj7 n GLU 136 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19