#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bj9 s GLU 2 N 0.00 0.32 -0.12 2.12 2.12 -1.26 -5.14 118.70 116.74 2bj9 s GLU 2 Ca 0.00 0.91 -0.16 0.00 0.36 0.00 0.00 54.97 56.09 2bj9 s GLU 2 Cb 0.00 0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.49 2bj9 s GLU 2 CO 0.00 -0.34 0.38 -0.51 -0.54 0.00 0.00 175.26 174.25 2bj9 s LEU 3 N 2.59 4.29 -0.13 2.70 1.43 -1.26 -5.07 118.68 123.24 2bj9 s LEU 3 Ca 0.02 0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 53.79 2bj9 s LEU 3 Cb -0.13 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 2bj9 s LEU 3 CO -0.13 0.10 -0.04 -0.63 0.23 0.00 0.00 176.35 175.87 2bj9 s ILE 4 N 0.27 3.88 -0.18 -0.59 1.01 -1.26 -5.10 121.20 119.23 2bj9 s ILE 4 Ca 0.21 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 2bj9 s ILE 4 Cb -0.14 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 2bj9 s ILE 4 CO 0.08 0.53 -0.05 -0.60 0.00 0.00 0.00 174.94 174.90 2bj9 s ARG 5 N 0.01 3.52 0.07 2.79 3.52 -1.26 -5.10 118.95 122.49 2bj9 s ARG 5 Ca 0.01 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 2bj9 s ARG 5 Cb -0.13 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.30 2bj9 s ARG 5 CO 0.03 0.05 -0.07 -0.59 -0.81 0.00 0.00 175.30 173.91 2bj9 s PHE 6 N 0.84 0.77 0.08 5.12 -0.71 -1.26 -5.16 117.98 117.67 2bj9 s PHE 6 Ca -0.01 -0.73 0.03 0.00 -1.04 0.00 0.00 56.93 55.18 2bj9 s PHE 6 Cb -0.15 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.17 2bj9 s PHE 6 CO 0.01 -0.13 0.09 -1.12 -1.34 0.00 0.00 175.22 172.74 2bj9 s SER 7 N -2.37 5.59 0.04 1.98 0.01 -1.26 -5.12 113.70 112.57 2bj9 s SER 7 Ca 0.02 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2bj9 s SER 7 Cb -0.02 -1.52 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 2bj9 s SER 7 CO -0.03 0.17 -0.04 0.27 0.41 0.00 0.00 173.24 174.02 2bj9 s ILE 8 N -1.41 0.24 -0.25 1.44 -4.36 -1.26 -5.14 121.20 110.46 2bj9 s ILE 8 Ca 0.30 -1.22 -0.01 0.00 -0.26 0.00 0.00 60.65 59.47 2bj9 s ILE 8 Cb -0.12 -0.70 0.03 0.00 1.25 0.00 0.00 42.46 42.92 2bj9 s ILE 8 CO 0.23 -0.62 -0.08 -0.44 0.24 0.00 0.00 174.94 174.26 2bj9 s SER 9 N -1.93 4.27 0.06 4.36 0.01 -1.26 -5.10 113.70 114.10 2bj9 s SER 9 Ca -0.08 -0.96 0.06 0.00 1.31 0.00 0.00 55.95 56.28 2bj9 s SER 9 Cb -0.05 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 2bj9 s SER 9 CO -0.03 -0.14 -0.11 -0.63 0.41 0.00 0.00 173.24 172.74 2bj9 s ILE 10 N 1.28 3.32 -0.03 1.44 -1.09 -1.26 -5.07 121.20 119.79 2bj9 s ILE 10 Ca -0.01 -1.10 -0.31 0.00 -2.23 0.00 0.00 60.65 57.00 2bj9 s ILE 10 Cb -0.17 -2.49 -0.09 0.00 -1.58 0.00 0.00 42.46 38.13 2bj9 s ILE 10 CO -0.05 0.25 2.00 -2.65 -1.23 0.00 0.00 174.94 173.26 2bj9 n PRO 11 N 1.16 2.58 -0.33 2.79 -0.02 -1.26 -4.82 135.00 135.10 2bj9 n PRO 11 Ca -0.15 0.92 0.22 0.00 -2.02 0.00 0.00 63.50 62.47 2bj9 n PRO 11 Cb 0.52 -2.97 0.44 0.00 -0.02 0.00 0.00 33.50 31.48 2bj9 n PRO 11 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2bj9 h SER 12 N 11.05 0.34 0.50 2.55 4.64 -1.98 0.22 113.55 130.86 2bj9 h SER 12 Ca -0.48 0.20 -0.17 0.00 -0.47 0.00 0.00 61.79 60.87 2bj9 h SER 12 Cb 1.25 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 2bj9 h SER 12 CO 0.95 -0.18 -0.74 0.11 -0.87 0.00 0.00 176.83 176.09 2bj9 h LYS 13 N 0.25 0.20 -0.19 4.77 1.79 -1.99 0.18 116.57 121.58 2bj9 h LYS 13 Ca 0.70 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.96 2bj9 h LYS 13 Cb 1.60 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.29 2bj9 h LYS 13 CO -0.65 0.85 -0.04 1.25 -1.08 0.00 0.00 179.45 179.79 2bj9 h LEU 14 N 0.13 0.37 -0.31 2.94 5.85 -1.07 -1.90 115.31 121.32 2bj9 h LEU 14 Ca -0.02 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 2bj9 h LEU 14 Cb 1.31 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2bj9 h LEU 14 CO 0.11 0.64 0.14 0.25 -0.34 0.00 0.00 178.44 179.24 2bj9 h LEU 15 N 0.10 0.42 -1.27 2.25 5.85 -0.75 -0.23 115.31 121.68 2bj9 h LEU 15 Ca 0.05 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.72 2bj9 h LEU 15 Cb 0.47 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 2bj9 h LEU 15 CO 0.02 0.45 0.55 -0.08 -0.34 0.00 0.00 178.44 179.04 2bj9 h GLU 16 N 0.37 0.78 -0.22 1.25 4.81 -0.88 0.13 114.58 120.82 2bj9 h GLU 16 Ca 0.11 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 2bj9 h GLU 16 Cb 0.15 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2bj9 h GLU 16 CO -0.01 0.52 -0.50 -0.22 -0.73 0.00 0.00 179.01 178.06 2bj9 h LYS 17 N 0.80 0.73 0.69 1.92 1.63 -0.87 -2.05 116.57 119.42 2bj9 h LYS 17 Ca 0.39 -0.49 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 2bj9 h LYS 17 Cb 0.44 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 2bj9 h LYS 17 CO -0.16 1.11 -0.45 0.35 -3.45 0.00 0.00 179.45 176.85 2bj9 h PHE 18 N 0.45 -1.22 -0.61 1.91 3.57 0.30 -1.15 116.94 120.20 2bj9 h PHE 18 Ca -0.00 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.62 2bj9 h PHE 18 Cb 1.12 0.44 -0.10 0.00 2.79 0.00 0.00 35.95 40.19 2bj9 h PHE 18 CO 0.09 -0.67 0.01 -0.44 -2.23 0.00 0.00 178.31 175.07 2bj9 h ASP 19 N -1.09 -0.24 -0.50 0.41 3.32 -0.87 -0.62 116.42 116.83 2bj9 h ASP 19 Ca -0.09 0.15 0.10 0.00 0.02 0.00 0.00 57.03 57.20 2bj9 h ASP 19 Cb 0.89 0.26 -0.08 0.00 0.22 0.00 0.00 39.33 40.61 2bj9 h ASP 19 CO 0.07 -0.10 0.00 -0.61 -1.72 0.00 0.00 179.24 176.88 2bj9 h GLN 20 N 0.13 0.11 0.06 3.56 4.15 -0.98 -2.75 115.11 119.39 2bj9 h GLN 20 Ca 0.32 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.73 2bj9 h GLN 20 Cb 0.51 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2bj9 h GLN 20 CO -0.51 0.08 -0.03 0.82 -1.93 0.00 0.00 178.83 177.26 2bj9 h ILE 21 N 0.12 1.17 -0.04 2.39 2.04 0.09 -2.98 117.51 120.30 2bj9 h ILE 21 Ca 0.25 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.34 2bj9 h ILE 21 Cb 0.38 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2bj9 h ILE 21 CO -0.41 0.20 0.18 0.16 0.00 0.00 0.00 178.15 178.28 2bj9 h ILE 22 N -0.43 0.09 0.00 -0.67 3.07 -1.04 0.49 117.51 119.02 2bj9 h ILE 22 Ca -0.01 0.00 -0.04 0.00 1.55 0.00 0.00 64.86 66.36 2bj9 h ILE 22 Cb 0.38 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 37.76 2bj9 h ILE 22 CO 0.01 0.00 -0.15 -0.08 -1.05 0.00 0.00 178.15 176.88 2bj9 h GLU 23 N 0.00 0.10 0.04 0.16 4.81 -1.40 0.18 114.58 118.47 2bj9 h GLU 23 Ca 0.02 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2bj9 h GLU 23 Cb 0.39 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2bj9 h GLU 23 CO -0.00 0.88 -0.27 1.49 -0.73 0.00 0.00 179.01 180.38 2bj9 h GLU 24 N -0.63 -0.42 0.12 1.92 4.57 -0.82 -2.76 114.58 116.56 2bj9 h GLU 24 Ca -0.02 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2bj9 h GLU 24 Cb 0.93 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.58 2bj9 h GLU 24 CO 0.03 -0.28 -0.35 0.82 -1.18 0.00 0.00 179.01 178.05 2bj9 h ILE 25 N -0.44 0.27 0.00 2.32 2.04 -1.21 -3.47 117.51 117.02 2bj9 h ILE 25 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2bj9 h ILE 25 Cb 0.50 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2bj9 h ILE 25 CO -0.21 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.55 2bj9 n GLY 26 N -1.44 -0.50 3.77 5.37 0.00 -0.49 -5.10 105.19 106.80 2bj9 n GLY 26 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 2bj9 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bj9 s TYR 27 N -0.41 2.85 0.05 1.61 1.51 0.50 -4.92 117.35 118.55 2bj9 s TYR 27 Ca 0.00 1.45 -0.08 0.00 -1.01 0.00 0.00 57.07 57.43 2bj9 s TYR 27 Cb 0.00 -3.59 -0.31 0.00 -0.11 0.00 0.00 41.96 37.95 2bj9 s TYR 27 CO 0.00 -1.91 1.06 0.93 -1.11 0.00 0.00 175.55 174.52 2bj9 h GLU 28 N 2.54 0.37 -4.49 -0.62 5.08 -1.98 -3.42 114.58 112.07 2bj9 h GLU 28 Ca -0.49 -0.62 -0.19 0.00 -1.00 0.00 0.00 59.36 57.05 2bj9 h GLU 28 Cb 1.25 0.23 -0.15 0.00 0.50 0.00 0.00 28.75 30.58 2bj9 h GLU 28 CO 0.62 1.29 -0.67 0.54 -1.00 0.00 0.00 179.01 179.80 2bj9 s ASN 29 N -7.29 0.65 0.17 1.42 2.20 -1.26 -5.04 114.94 105.79 2bj9 s ASN 29 Ca -0.06 -1.12 -0.03 0.00 -0.94 0.00 0.00 52.86 50.71 2bj9 s ASN 29 Cb 0.06 0.21 0.03 0.00 -2.00 0.00 0.00 41.25 39.54 2bj9 s ASN 29 CO 0.90 -0.63 1.41 -0.09 -2.94 0.00 0.00 177.10 175.76 2bj9 h ARG 30 N 2.92 0.45 0.10 3.55 2.43 -1.99 -3.12 114.38 118.72 2bj9 h ARG 30 Ca -0.35 -0.37 0.02 0.00 -0.81 0.00 0.00 59.98 58.46 2bj9 h ARG 30 Cb 1.18 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 2bj9 h ARG 30 CO 0.62 1.01 -0.25 0.77 -1.51 0.00 0.00 179.97 180.61 2bj9 h SER 31 N 0.31 -0.70 -0.28 -3.80 0.02 -1.99 0.42 113.55 107.53 2bj9 h SER 31 Ca -0.03 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.07 2bj9 h SER 31 Cb 1.32 0.27 -0.08 0.00 0.14 0.00 0.00 62.40 64.06 2bj9 h SER 31 CO 0.13 -0.33 -0.30 -0.08 -1.14 0.00 0.00 176.83 175.10 2bj9 h GLU 32 N -0.44 -0.28 -0.65 3.45 4.57 -1.99 0.18 114.58 119.42 2bj9 h GLU 32 Ca 0.03 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.33 2bj9 h GLU 32 Cb 0.48 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.06 2bj9 h GLU 32 CO -0.15 -0.19 0.27 0.00 -1.18 0.00 0.00 179.01 177.77 2bj9 h ALA 33 N 0.68 0.86 -0.39 2.92 0.00 -1.37 0.01 119.26 121.97 2bj9 h ALA 33 Ca 0.14 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2bj9 h ALA 33 Cb 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2bj9 h ALA 33 CO -0.45 -0.15 -0.14 0.82 0.00 0.00 0.00 179.25 179.33 2bj9 h ILE 34 N 0.47 1.26 -0.47 0.00 2.04 0.32 -1.00 117.51 120.14 2bj9 h ILE 34 Ca 0.33 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 2bj9 h ILE 34 Cb 0.39 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2bj9 h ILE 34 CO -0.30 0.40 0.18 0.03 0.00 0.00 0.00 178.15 178.46 2bj9 h ARG 35 N 0.65 0.71 -0.66 2.37 3.08 0.39 -0.87 114.38 120.05 2bj9 h ARG 35 Ca 0.11 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 60.08 2bj9 h ARG 35 Cb 0.61 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 2bj9 h ARG 35 CO 0.04 0.65 0.37 -0.44 -1.07 0.00 0.00 179.97 179.53 2bj9 h ASP 36 N 0.62 0.56 0.07 7.04 3.45 -0.65 0.43 116.42 127.95 2bj9 h ASP 36 Ca 0.16 0.03 0.01 0.00 0.43 0.00 0.00 57.03 57.65 2bj9 h ASP 36 Cb 0.22 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 2bj9 h ASP 36 CO -0.01 0.37 -0.14 -0.07 -1.57 0.00 0.00 179.24 177.82 2bj9 h LEU 37 N 0.69 -0.38 -0.18 1.55 3.38 -0.73 0.29 115.31 119.94 2bj9 h LEU 37 Ca 0.29 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.33 2bj9 h LEU 37 Cb 0.17 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2bj9 h LEU 37 CO -0.17 -0.20 0.05 0.40 0.09 0.00 0.00 178.44 178.60 2bj9 h ILE 38 N -0.27 0.94 -0.48 1.22 2.04 -0.57 0.25 117.51 120.64 2bj9 h ILE 38 Ca 0.02 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2bj9 h ILE 38 Cb 0.29 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 2bj9 h ILE 38 CO -0.08 0.02 0.12 0.03 0.00 0.00 0.00 178.15 178.24 2bj9 h ARG 39 N 0.12 0.25 -0.68 2.37 3.08 0.25 0.12 114.38 119.89 2bj9 h ARG 39 Ca 0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2bj9 h ARG 39 Cb 0.06 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2bj9 h ARG 39 CO -0.09 0.17 0.43 0.22 -1.07 0.00 0.00 179.97 179.63 2bj9 h ASP 40 N 0.26 0.80 -0.53 7.04 3.58 0.20 -0.75 116.42 127.02 2bj9 h ASP 40 Ca 0.24 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.68 2bj9 h ASP 40 Cb 0.30 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 2bj9 h ASP 40 CO -0.29 0.61 0.30 0.15 -2.88 0.00 0.00 179.24 177.13 2bj9 h PHE 41 N 0.93 0.57 -0.66 0.28 3.04 0.84 0.15 116.94 122.08 2bj9 h PHE 41 Ca 0.25 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.14 2bj9 h PHE 41 Cb -0.07 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.23 2bj9 h PHE 41 CO -0.02 0.31 0.11 0.82 -2.02 0.00 0.00 178.31 177.51 2bj9 h ILE 42 N 0.60 1.26 -0.56 1.41 2.04 -0.47 -2.50 117.51 119.29 2bj9 h ILE 42 Ca 0.22 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.97 2bj9 h ILE 42 Cb 0.05 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2bj9 h ILE 42 CO -0.11 0.39 0.06 0.40 0.00 0.00 0.00 178.15 178.88 2bj9 h ILE 43 N 1.02 1.26 -0.55 -0.67 2.04 -0.42 -0.34 117.51 119.86 2bj9 h ILE 43 Ca 0.20 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 2bj9 h ILE 43 Cb 0.44 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2bj9 h ILE 43 CO 0.01 0.37 0.27 0.03 0.00 0.00 0.00 178.15 178.83 2bj9 h ARG 44 N 0.84 0.79 -0.96 2.37 3.08 -0.88 -2.25 114.38 117.36 2bj9 h ARG 44 Ca 0.17 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.11 2bj9 h ARG 44 Cb 0.46 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 2bj9 h ARG 44 CO 0.02 0.64 0.62 1.25 -1.07 0.00 0.00 179.97 181.43 2bj9 h HIS 45 N 0.74 1.22 -0.67 3.04 2.76 -1.20 -0.67 115.15 120.37 2bj9 h HIS 45 Ca 0.19 0.02 0.19 0.00 -2.20 0.00 0.00 60.37 58.57 2bj9 h HIS 45 Cb 0.11 -0.41 -0.03 0.00 1.55 0.00 0.00 27.41 28.63 2bj9 h HIS 45 CO -0.00 0.78 0.50 1.49 -1.30 0.00 0.00 177.93 179.39 2bj9 h GLU 46 N 1.31 0.00 0.00 5.26 4.81 -0.46 0.38 114.58 125.88 2bj9 h GLU 46 Ca 0.35 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.42 2bj9 h GLU 46 Cb -0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2bj9 h GLU 46 CO -0.07 0.00 -0.97 -1.49 -0.73 0.00 0.00 179.01 175.74 2bj9 h TRP 47 N 0.00 0.00 0.00 0.92 4.06 -0.91 -3.31 115.95 116.71 2bj9 h TRP 47 Ca 0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.27 2bj9 h TRP 47 Cb 1.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.46 2bj9 h TRP 47 CO 0.00 0.64 0.00 0.93 -3.56 0.00 0.00 178.44 176.45 2bj9 h GLU 48 N 0.00 0.00 -2.36 0.49 5.08 0.10 -3.26 114.58 114.63 2bj9 h GLU 48 Ca -0.08 0.00 -0.80 0.00 -1.00 0.00 0.00 59.36 57.48 2bj9 h GLU 48 Cb 1.56 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.53 2bj9 h GLU 48 CO 0.07 0.00 0.94 0.28 -1.00 0.00 0.00 179.01 179.30 2bj9 n VAL 49 N -2.91 5.89 0.00 3.13 0.31 -1.04 -4.93 118.33 118.78 2bj9 n VAL 49 Ca 0.02 -5.97 0.00 0.00 -0.01 0.00 0.00 64.34 58.38 2bj9 n VAL 49 Cb 0.35 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 2bj9 n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bj9 n GLY 50 N 0.16 0.00 2.98 2.92 0.00 -1.23 -4.27 105.19 105.75 2bj9 n GLY 50 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 2bj9 n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bj9 s ASN 51 N -0.23 4.27 0.00 1.61 0.01 -1.26 -3.71 114.94 115.62 2bj9 s ASN 51 Ca 0.00 -1.54 0.00 0.00 -0.71 0.00 0.00 52.86 50.61 2bj9 s ASN 51 Cb 0.00 -1.36 0.00 0.00 0.41 0.00 0.00 41.25 40.30 2bj9 s ASN 51 CO 0.00 -0.28 0.00 -1.84 -1.51 0.00 0.00 177.10 173.47 2bj9 n GLU 52 N 4.51 0.00 -1.66 -0.60 0.28 -1.26 -5.04 120.64 116.86 2bj9 n GLU 52 Ca -0.07 0.00 -0.51 0.00 -0.16 0.00 0.00 57.16 56.42 2bj9 n GLU 52 Cb 0.43 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.24 2bj9 n GLU 52 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2bj9 n GLU 53 N 0.00 1.66 -4.36 3.44 4.07 -1.26 -4.10 120.64 120.09 2bj9 n GLU 53 Ca 0.00 0.60 -0.18 0.00 -0.06 0.00 0.00 57.16 57.52 2bj9 n GLU 53 Cb 0.00 -2.34 -0.10 0.00 -0.06 0.00 0.00 31.44 28.94 2bj9 n GLU 53 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2bj9 s VAL 54 N 2.36 0.64 0.08 6.31 -7.23 -0.24 -4.75 120.40 117.57 2bj9 s VAL 54 Ca 0.89 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 59.12 2bj9 s VAL 54 Cb -0.85 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.43 2bj9 s VAL 54 CO 0.51 0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 175.15 2bj9 s ALA 55 N -3.62 1.32 0.32 1.32 0.00 -1.25 -1.07 121.76 118.78 2bj9 s ALA 55 Ca 0.36 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 2bj9 s ALA 55 Cb 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2bj9 s ALA 55 CO 0.15 0.19 0.61 0.20 0.00 0.00 0.00 175.76 176.91 2bj9 s GLY 56 N -1.86 0.60 -0.19 0.00 0.00 -0.06 -1.42 107.32 104.39 2bj9 s GLY 56 Ca 0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.80 2bj9 s GLY 56 CO 0.03 -0.53 0.21 -0.51 0.00 0.00 0.00 173.10 172.30 2bj9 s THR 57 N -3.28 -0.30 -0.42 0.90 -4.23 -0.61 -1.04 115.64 106.66 2bj9 s THR 57 Ca 0.20 -0.08 -0.25 0.00 -1.18 0.00 0.00 61.69 60.38 2bj9 s THR 57 Cb -0.03 -0.64 0.02 0.00 1.34 0.00 0.00 72.50 73.20 2bj9 s THR 57 CO 0.12 -0.18 0.91 -0.63 -0.54 0.00 0.00 174.62 174.30 2bj9 s ILE 58 N 2.31 4.53 -0.20 2.99 1.01 -0.32 -2.02 121.20 129.50 2bj9 s ILE 58 Ca 0.06 0.90 -0.08 0.00 0.00 0.00 0.00 60.65 61.53 2bj9 s ILE 58 Cb -0.15 -4.38 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 2bj9 s ILE 58 CO -0.11 -0.70 0.09 -0.89 0.00 0.00 0.00 174.94 173.33 2bj9 s THR 59 N 3.60 4.98 0.05 2.92 2.01 0.07 -0.49 115.64 128.77 2bj9 s THR 59 Ca 0.37 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.42 2bj9 s THR 59 Cb -0.11 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 2bj9 s THR 59 CO 0.23 0.43 -0.06 0.27 -0.69 0.00 0.00 174.62 174.80 2bj9 s ILE 60 N 0.54 0.46 -0.03 1.82 -4.36 0.58 -1.21 121.20 118.98 2bj9 s ILE 60 Ca 0.05 -1.34 0.03 0.00 -0.26 0.00 0.00 60.65 59.13 2bj9 s ILE 60 Cb -0.12 -0.91 -0.00 0.00 1.25 0.00 0.00 42.46 42.67 2bj9 s ILE 60 CO 0.01 -0.60 -0.12 -0.69 0.24 0.00 0.00 174.94 173.77 2bj9 s VAL 61 N -2.25 1.04 0.28 8.37 1.01 -0.44 -0.48 120.40 127.94 2bj9 s VAL 61 Ca -0.04 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2bj9 s VAL 61 Cb -0.04 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.45 2bj9 s VAL 61 CO -0.02 0.31 0.69 -0.72 0.00 0.00 0.00 175.10 175.36 2bj9 s TYR 62 N 0.10 -0.07 -0.24 5.22 -0.85 -0.69 -1.35 117.35 119.47 2bj9 s TYR 62 Ca -0.03 -0.39 -0.08 0.00 -0.52 0.00 0.00 57.07 56.06 2bj9 s TYR 62 Cb -0.09 0.64 -0.03 0.00 0.38 0.00 0.00 41.96 42.85 2bj9 s TYR 62 CO 0.01 -1.23 0.08 1.21 -1.52 0.00 0.00 175.55 174.10 2bj9 s ASN 63 N -2.95 5.29 0.30 -0.18 3.84 -1.26 0.08 114.94 120.06 2bj9 s ASN 63 Ca 0.13 -0.15 0.12 0.00 0.21 0.00 0.00 52.86 53.17 2bj9 s ASN 63 Cb -0.05 -1.95 0.44 0.00 -0.55 0.00 0.00 41.25 39.14 2bj9 s ASN 63 CO 0.08 -0.01 1.65 1.12 -2.79 0.00 0.00 177.10 177.15 2bj9 h HIS 64 N 8.03 0.00 0.00 0.43 2.07 -1.84 -2.95 115.15 120.89 2bj9 h HIS 64 Ca -0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.15 2bj9 h HIS 64 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 2bj9 h HIS 64 CO 0.67 0.56 0.00 -0.25 -3.07 0.00 0.00 177.93 175.83 2bj9 n ASP 65 N -3.80 0.00 -4.94 3.10 8.00 -1.26 -4.56 116.55 113.09 2bj9 n ASP 65 Ca -0.01 -1.56 -0.25 0.00 0.71 0.00 0.00 54.79 53.68 2bj9 n ASP 65 Cb 0.58 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.65 2bj9 n ASP 65 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2bj9 s GLU 66 N -2.00 3.48 0.00 -1.24 2.12 -1.12 -5.02 118.70 114.92 2bj9 s GLU 66 Ca 0.18 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.03 2bj9 s GLU 66 Cb 0.08 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.64 2bj9 s GLU 66 CO 0.14 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 2bj9 n GLY 67 N -1.04 0.16 0.31 -1.50 0.00 -1.26 -3.93 105.19 97.93 2bj9 n GLY 67 Ca -0.06 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 45.98 2bj9 n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bj9 n ASP 68 N -0.17 1.50 -0.13 1.61 3.85 -1.26 -4.82 116.55 117.13 2bj9 n ASP 68 Ca 0.00 -1.25 0.00 0.00 -0.71 0.00 0.00 54.79 52.83 2bj9 n ASP 68 Cb 0.00 0.24 0.02 0.00 -1.35 0.00 0.00 41.12 40.03 2bj9 n ASP 68 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 2bj9 n VAL 69 N 0.14 -0.18 -0.24 2.12 3.14 -1.25 -0.02 118.33 122.04 2bj9 n VAL 69 Ca 0.05 0.81 0.04 0.00 -2.96 0.00 0.00 64.34 62.28 2bj9 n VAL 69 Cb 0.22 -1.08 0.15 0.00 -1.06 0.00 0.00 33.84 32.08 2bj9 n VAL 69 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2bj9 h VAL 70 N 0.00 0.40 0.03 1.55 2.07 -1.83 0.38 116.25 118.85 2bj9 h VAL 70 Ca 0.13 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 2bj9 h VAL 70 Cb 0.22 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2bj9 h VAL 70 CO -0.35 0.02 -0.23 0.50 0.02 0.00 0.00 177.57 177.54 2bj9 h LYS 71 N 0.13 0.10 -0.76 1.57 3.64 -0.83 -3.15 116.57 117.26 2bj9 h LYS 71 Ca 0.40 -0.15 0.18 0.00 -1.27 0.00 0.00 60.65 59.80 2bj9 h LYS 71 Cb 0.69 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.43 2bj9 h LYS 71 CO -0.61 1.01 0.06 0.00 -2.27 0.00 0.00 179.45 177.64 2bj9 h ALA 72 N 0.09 0.86 0.07 5.00 0.00 -0.63 -0.54 119.26 124.11 2bj9 h ALA 72 Ca -0.04 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2bj9 h ALA 72 Cb 1.12 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2bj9 h ALA 72 CO 0.04 -0.42 -0.04 -0.07 0.00 0.00 0.00 179.25 178.77 2bj9 h LEU 73 N 0.14 -0.08 -0.03 0.00 3.38 -0.36 -1.96 115.31 116.40 2bj9 h LEU 73 Ca 0.43 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.42 2bj9 h LEU 73 Cb 0.77 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2bj9 h LEU 73 CO -0.64 -0.06 -0.09 -0.07 0.09 0.00 0.00 178.44 177.67 2bj9 h LEU 74 N -0.10 -0.26 -0.15 1.67 3.38 -1.11 0.11 115.31 118.84 2bj9 h LEU 74 Ca -0.01 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2bj9 h LEU 74 Cb 0.08 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2bj9 h LEU 74 CO 0.02 -0.13 -0.31 0.44 0.09 0.00 0.00 178.44 178.55 2bj9 h ASP 75 N -0.14 -0.97 -0.23 -0.43 3.45 -1.16 0.91 116.42 117.84 2bj9 h ASP 75 Ca 0.04 0.15 0.06 0.00 0.43 0.00 0.00 57.03 57.71 2bj9 h ASP 75 Cb 0.20 0.42 -0.07 0.00 -0.56 0.00 0.00 39.33 39.32 2bj9 h ASP 75 CO -0.11 -0.35 -0.25 -0.07 -1.57 0.00 0.00 179.24 176.89 2bj9 h LEU 76 N -0.37 -0.79 -0.69 1.55 3.38 -1.03 -0.77 115.31 116.59 2bj9 h LEU 76 Ca 0.10 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2bj9 h LEU 76 Cb 0.53 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2bj9 h LEU 76 CO -0.36 -0.28 0.45 1.56 0.09 0.00 0.00 178.44 179.90 2bj9 h GLN 77 N -0.26 0.89 0.00 1.13 4.20 0.17 -1.39 115.11 119.85 2bj9 h GLN 77 Ca 0.13 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2bj9 h GLN 77 Cb 0.46 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2bj9 h GLN 77 CO -0.38 0.59 0.00 0.72 -0.67 0.00 0.00 178.83 179.09 2bj9 n HIS 78 N -4.62 0.05 0.87 2.96 8.25 0.31 -1.29 115.22 121.75 2bj9 n HIS 78 Ca 0.06 0.02 0.13 0.00 -0.26 0.00 0.00 57.72 57.68 2bj9 n HIS 78 Cb 0.03 -0.53 0.49 0.00 1.12 0.00 0.00 29.99 31.10 2bj9 n HIS 78 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2bj9 n GLU 79 N -1.55 0.09 -2.90 -0.41 2.13 -0.36 -3.99 120.64 113.65 2bj9 n GLU 79 Ca 0.03 0.06 -0.23 0.00 0.66 0.00 0.00 57.16 57.69 2bj9 n GLU 79 Cb 0.18 -1.59 -0.02 0.00 0.27 0.00 0.00 31.44 30.27 2bj9 n GLU 79 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2bj9 n TYR 80 N -1.74 2.57 0.23 4.31 4.02 -0.42 -4.91 117.16 121.21 2bj9 n TYR 80 Ca 0.06 -3.66 0.06 0.00 -0.01 0.00 0.00 57.90 54.35 2bj9 n TYR 80 Cb 0.37 -0.39 0.56 0.00 -0.02 0.00 0.00 39.34 39.86 2bj9 n TYR 80 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2bj9 h LEU 81 N 2.92 0.03 -0.09 7.72 3.38 -1.69 -2.00 115.31 125.57 2bj9 h LEU 81 Ca 0.13 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2bj9 h LEU 81 Cb 0.78 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2bj9 h LEU 81 CO 0.70 0.11 -0.26 0.44 0.09 0.00 0.00 178.44 179.52 2bj9 h ASP 82 N 0.04 0.00 0.09 -0.43 3.32 -1.93 -3.35 116.42 114.16 2bj9 h ASP 82 Ca 0.01 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.69 2bj9 h ASP 82 Cb 0.15 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 2bj9 h ASP 82 CO 0.01 0.26 -2.22 -0.62 -1.72 0.00 0.00 179.24 174.95 2bj9 n GLU 83 N -3.18 0.69 -2.81 3.56 4.71 -1.05 -4.86 120.64 117.71 2bj9 n GLU 83 Ca 0.03 0.19 -0.41 0.00 -0.01 0.00 0.00 57.16 56.95 2bj9 n GLU 83 Cb 0.62 -1.61 -0.03 0.00 -1.01 0.00 0.00 31.44 29.40 2bj9 n GLU 83 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2bj9 s ILE 84 N -2.54 4.91 -0.19 -3.67 1.01 -0.78 -0.24 121.20 119.71 2bj9 s ILE 84 Ca -0.24 1.88 -0.17 0.00 0.00 0.00 0.00 60.65 62.11 2bj9 s ILE 84 Cb 0.08 -4.24 -0.13 0.00 0.01 0.00 0.00 42.46 38.18 2bj9 s ILE 84 CO 0.71 0.17 0.06 -0.38 0.00 0.00 0.00 174.94 175.50 2bj9 n ILE 85 N 3.95 1.49 -3.63 2.92 5.41 -0.12 -4.84 119.36 124.53 2bj9 n ILE 85 Ca 0.04 0.05 -0.03 0.00 1.00 0.00 0.00 62.75 63.82 2bj9 n ILE 85 Cb 0.51 -2.16 -0.03 0.00 -0.71 0.00 0.00 39.64 37.25 2bj9 n ILE 85 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2bj9 s SER 86 N -6.48 -0.05 0.17 4.38 1.04 -1.25 -5.05 113.70 106.47 2bj9 s SER 86 Ca -0.24 0.02 0.10 0.00 0.48 0.00 0.00 55.95 56.31 2bj9 s SER 86 Cb 0.05 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 2bj9 s SER 86 CO 0.46 -0.07 -0.22 -0.94 0.98 0.00 0.00 173.24 173.45 2bj9 s SER 87 N -1.72 3.05 -0.02 7.02 1.04 -1.26 -2.06 113.70 119.74 2bj9 s SER 87 Ca 0.10 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.72 2bj9 s SER 87 Cb -0.01 -0.20 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 2bj9 s SER 87 CO -0.04 0.07 -0.06 -0.22 0.98 0.00 0.00 173.24 173.96 2bj9 s LEU 88 N -2.51 3.19 -0.03 2.42 0.20 -0.82 -4.96 118.68 116.16 2bj9 s LEU 88 Ca 0.16 -0.09 0.02 0.00 0.69 0.00 0.00 54.13 54.92 2bj9 s LEU 88 Cb -0.08 -1.78 0.01 0.00 -0.43 0.00 0.00 46.19 43.91 2bj9 s LEU 88 CO 0.08 0.31 -0.08 -2.28 -0.29 0.00 0.00 176.35 174.09 2bj9 s HIS 89 N -0.93 0.89 -0.06 5.38 5.65 -1.26 -1.09 115.29 123.87 2bj9 s HIS 89 Ca 0.15 -0.24 0.04 0.00 0.25 0.00 0.00 55.06 55.26 2bj9 s HIS 89 Cb -0.11 -0.67 0.00 0.00 -1.18 0.00 0.00 32.58 30.62 2bj9 s HIS 89 CO 0.05 -0.13 -0.16 0.08 -0.65 0.00 0.00 174.74 173.93 2bj9 s VAL 90 N 0.41 1.40 -0.51 0.89 1.01 0.07 -5.00 120.40 118.66 2bj9 s VAL 90 Ca -0.06 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 2bj9 s VAL 90 Cb -0.10 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 35.09 2bj9 s VAL 90 CO 0.01 0.41 0.79 -1.00 0.00 0.00 0.00 175.10 175.31 2bj9 s HIS 91 N 0.29 2.93 0.10 5.22 3.76 -1.26 -0.55 115.29 125.78 2bj9 s HIS 91 Ca -0.09 -0.16 -0.18 0.00 -0.15 0.00 0.00 55.06 54.48 2bj9 s HIS 91 Cb -0.14 -3.78 -0.06 0.00 1.11 0.00 0.00 32.58 29.71 2bj9 s HIS 91 CO 0.04 -1.16 1.58 0.52 -0.85 0.00 0.00 174.74 174.86 2bj9 h MET 92 N 9.13 0.47 0.00 1.40 2.86 -1.48 -3.48 114.93 123.83 2bj9 h MET 92 Ca -0.26 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2bj9 h MET 92 Cb 1.08 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2bj9 h MET 92 CO 1.01 0.58 0.00 -0.40 1.06 0.00 0.00 176.91 179.16 2bj9 n ASP 93 N -4.65 0.00 0.26 1.22 5.68 -1.11 -4.99 116.55 112.97 2bj9 n ASP 93 Ca -0.03 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.39 2bj9 n ASP 93 Cb 0.21 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 40.91 2bj9 n ASP 93 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2bj9 h GLU 94 N 0.00 0.00 0.00 0.11 4.81 -2.04 -3.37 114.58 114.09 2bj9 h GLU 94 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2bj9 h GLU 94 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2bj9 h GLU 94 CO 0.00 0.11 -0.85 0.72 -0.73 0.00 0.00 179.01 178.26 2bj9 n HIS 95 N -3.68 0.00 -3.60 0.92 8.25 -1.26 -5.01 115.22 110.84 2bj9 n HIS 95 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 2bj9 n HIS 95 Cb 0.23 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.28 2bj9 n HIS 95 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2bj9 s ASN 96 N -3.21 6.70 0.09 0.41 0.01 -1.26 -2.30 114.94 115.38 2bj9 s ASN 96 Ca 0.00 0.83 0.10 0.00 -0.71 0.00 0.00 52.86 53.09 2bj9 s ASN 96 Cb 0.00 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.42 2bj9 s ASN 96 CO 0.00 0.34 -0.27 0.00 -1.51 0.00 0.00 177.10 175.67 2bj9 s LEU 98 N -1.68 2.54 -0.01 0.00 0.20 0.29 -1.70 118.68 118.32 2bj9 s LEU 98 Ca 0.13 -0.43 0.04 0.00 0.69 0.00 0.00 54.13 54.56 2bj9 s LEU 98 Cb -0.10 -1.57 -0.01 0.00 -0.43 0.00 0.00 46.19 44.07 2bj9 s LEU 98 CO 0.04 0.11 -0.13 -0.70 -0.29 0.00 0.00 176.35 175.37 2bj9 s GLU 99 N 0.69 1.07 -0.27 1.98 2.12 0.36 -0.75 118.70 123.90 2bj9 s GLU 99 Ca -0.07 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.75 2bj9 s GLU 99 Cb -0.16 -1.04 0.08 0.00 0.26 0.00 0.00 34.13 33.27 2bj9 s GLU 99 CO 0.02 0.28 0.02 0.54 -0.54 0.00 0.00 175.26 175.58 2bj9 s VAL 100 N -0.37 1.34 0.08 3.70 0.11 -0.25 -0.31 120.40 124.70 2bj9 s VAL 100 Ca 0.05 -1.36 -0.24 0.00 -2.93 0.00 0.00 61.98 57.50 2bj9 s VAL 100 Cb -0.05 -1.80 -0.06 0.00 -1.53 0.00 0.00 36.38 32.93 2bj9 s VAL 100 CO -0.00 -0.35 0.72 -0.63 -3.33 0.00 0.00 175.10 171.51 2bj9 s ILE 101 N 1.44 4.63 -0.22 7.04 1.01 0.35 -1.95 121.20 133.50 2bj9 s ILE 101 Ca 0.02 1.55 -0.05 0.00 0.00 0.00 0.00 60.65 62.16 2bj9 s ILE 101 Cb -0.18 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 2bj9 s ILE 101 CO -0.12 0.45 0.01 -0.69 0.00 0.00 0.00 174.94 174.59 2bj9 s VAL 102 N -0.59 3.92 0.14 2.92 1.01 -0.87 -1.17 120.40 125.75 2bj9 s VAL 102 Ca 0.35 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 62.13 2bj9 s VAL 102 Cb -0.21 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 2bj9 s VAL 102 CO 0.23 0.40 -0.25 -0.69 0.00 0.00 0.00 175.10 174.79 2bj9 s VAL 103 N 1.30 2.36 -0.10 2.92 1.01 -0.21 -0.95 120.40 126.73 2bj9 s VAL 103 Ca 0.04 -1.78 -0.04 0.00 0.00 0.00 0.00 61.98 60.19 2bj9 s VAL 103 Cb -0.15 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.22 2bj9 s VAL 103 CO 0.01 0.05 0.22 -0.75 0.00 0.00 0.00 175.10 174.62 2bj9 s LYS 104 N -2.20 0.14 0.00 2.72 2.20 0.67 -0.88 119.74 122.40 2bj9 s LYS 104 Ca 0.16 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 2bj9 s LYS 104 Cb -0.10 -0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.09 2bj9 s LYS 104 CO 0.07 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 2bj9 n GLY 105 N 4.65 -0.45 3.70 5.54 0.00 -0.23 -4.35 105.19 114.05 2bj9 n GLY 105 Ca -0.18 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 2bj9 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bj9 s GLU 106 N -2.00 4.26 0.26 1.61 2.02 -1.26 -1.08 118.70 122.51 2bj9 s GLU 106 Ca 0.00 2.17 -0.08 0.00 0.02 0.00 0.00 54.97 57.09 2bj9 s GLU 106 Cb 0.00 -3.37 0.45 0.00 0.10 0.00 0.00 34.13 31.31 2bj9 s GLU 106 CO 0.00 -0.57 1.60 0.00 0.02 0.00 0.00 175.26 176.31 2bj9 h ALA 107 N 7.34 0.71 -0.23 5.21 0.00 -1.71 -0.50 119.26 130.07 2bj9 h ALA 107 Ca -0.42 0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2bj9 h ALA 107 Cb 1.20 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 2bj9 h ALA 107 CO 0.90 -0.43 0.01 0.87 0.00 0.00 0.00 179.25 180.60 2bj9 h LYS 108 N 0.03 0.09 0.41 0.00 1.57 -1.88 -0.81 116.57 115.97 2bj9 h LYS 108 Ca 0.44 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 2bj9 h LYS 108 Cb 0.74 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 2bj9 h LYS 108 CO -0.84 0.06 -0.51 -0.22 -0.57 0.00 0.00 179.45 177.38 2bj9 h LYS 109 N 0.09 -0.91 -1.00 3.15 1.63 -1.46 -1.57 116.57 116.49 2bj9 h LYS 109 Ca 0.11 0.06 0.20 0.00 -0.85 0.00 0.00 60.65 60.17 2bj9 h LYS 109 Cb 0.13 0.21 -0.11 0.00 -0.60 0.00 0.00 32.23 31.85 2bj9 h LYS 109 CO -0.17 -0.61 0.61 0.82 -3.45 0.00 0.00 179.45 176.66 2bj9 h ILE 110 N -0.94 0.67 -0.48 2.00 2.04 -1.05 0.14 117.51 119.89 2bj9 h ILE 110 Ca -0.05 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 2bj9 h ILE 110 Cb 0.84 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2bj9 h ILE 110 CO -0.12 0.13 0.07 0.11 0.00 0.00 0.00 178.15 178.34 2bj9 h LYS 111 N 0.72 0.74 -0.57 2.37 1.57 -0.54 -1.90 116.57 118.96 2bj9 h LYS 111 Ca 0.59 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 59.13 2bj9 h LYS 111 Cb 0.98 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 2bj9 h LYS 111 CO -0.40 0.71 0.03 1.98 -0.57 0.00 0.00 179.45 181.20 2bj9 h MET 112 N 0.71 0.96 0.31 3.15 4.05 0.21 -1.00 114.93 123.31 2bj9 h MET 112 Ca 0.15 -0.27 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 2bj9 h MET 112 Cb 0.34 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2bj9 h MET 112 CO 0.01 0.93 -0.15 0.82 0.23 0.00 0.00 176.91 178.75 2bj9 h ILE 113 N 0.89 0.72 -0.77 1.77 2.04 -0.94 -1.09 117.51 120.13 2bj9 h ILE 113 Ca 0.17 -0.31 0.11 0.00 1.00 0.00 0.00 64.86 65.83 2bj9 h ILE 113 Cb 0.48 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 2bj9 h ILE 113 CO 0.02 0.06 0.50 0.00 0.00 0.00 0.00 178.15 178.74 2bj9 h ALA 114 N 0.06 1.85 -0.17 1.87 0.00 -1.23 -0.35 119.26 121.29 2bj9 h ALA 114 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2bj9 h ALA 114 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2bj9 h ALA 114 CO 0.07 -0.02 -0.02 -0.44 0.00 0.00 0.00 179.25 178.85 2bj9 h ASP 115 N 0.64 0.30 -0.25 0.00 3.32 -0.92 -0.34 116.42 119.17 2bj9 h ASP 115 Ca 0.36 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 2bj9 h ASP 115 Cb 0.53 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2bj9 h ASP 115 CO -0.13 0.56 0.01 0.11 -1.72 0.00 0.00 179.24 178.06 2bj9 h LYS 116 N 0.03 0.56 0.06 3.56 1.57 -0.17 -2.44 116.57 119.74 2bj9 h LYS 116 Ca 0.04 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2bj9 h LYS 116 Cb 0.42 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2bj9 h LYS 116 CO 0.01 0.58 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.37 2bj9 h LEU 117 N 0.53 -0.07 -2.23 2.94 3.38 -0.99 -3.30 115.31 115.57 2bj9 h LEU 117 Ca 0.11 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2bj9 h LEU 117 Cb 0.33 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2bj9 h LEU 117 CO 0.01 0.62 -0.03 -0.07 0.09 0.00 0.00 178.44 179.06 2bj9 h LEU 118 N -0.94 0.00 -0.12 1.67 3.38 -1.09 -1.75 115.31 116.46 2bj9 h LEU 118 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2bj9 h LEU 118 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2bj9 h LEU 118 CO 0.01 0.03 -0.11 -1.54 0.09 0.00 0.00 178.44 176.93 2bj9 n SER 119 N -3.99 0.30 -4.71 -0.43 3.41 -0.92 -4.81 113.62 102.47 2bj9 n SER 119 Ca -0.03 -0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 57.89 2bj9 n SER 119 Cb 0.12 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 2bj9 n SER 119 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2bj9 s LEU 120 N -2.64 4.38 0.29 1.04 1.02 -0.66 -4.87 118.68 117.25 2bj9 s LEU 120 Ca 0.25 2.79 0.01 0.00 0.02 0.00 0.00 54.13 57.20 2bj9 s LEU 120 Cb 0.20 -3.58 0.71 0.00 0.02 0.00 0.00 46.19 43.53 2bj9 s LEU 120 CO 0.50 -0.97 1.62 0.50 0.02 0.00 0.00 176.35 178.02 2bj9 h LYS 121 N 7.67 0.13 0.00 1.70 1.63 -1.89 -0.89 116.57 124.92 2bj9 h LYS 121 Ca -0.44 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2bj9 h LYS 121 Cb 1.21 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2bj9 h LYS 121 CO 0.95 0.09 0.00 0.41 -3.45 0.00 0.00 179.45 177.45 2bj9 n GLY 122 N -1.41 -1.28 3.57 5.01 0.00 -1.26 -4.68 105.19 105.15 2bj9 n GLY 122 Ca 0.21 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2bj9 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bj9 s VAL 123 N -3.21 4.28 0.11 1.61 1.01 -0.34 -4.28 120.40 119.57 2bj9 s VAL 123 Ca 0.06 0.80 -0.12 0.00 0.00 0.00 0.00 61.98 62.72 2bj9 s VAL 123 Cb 0.10 -4.57 -0.15 0.00 0.00 0.00 0.00 36.38 31.76 2bj9 s VAL 123 CO 0.40 -1.06 1.32 0.11 0.00 0.00 0.00 175.10 175.86 2bj9 h LYS 124 N 9.28 0.81 -4.02 2.72 1.57 -1.49 -3.47 116.57 121.97 2bj9 h LYS 124 Ca -0.24 -0.64 -0.13 0.00 -1.87 0.00 0.00 60.65 57.76 2bj9 h LYS 124 Cb 1.07 0.13 -0.17 0.00 0.08 0.00 0.00 32.23 33.33 2bj9 h LYS 124 CO 1.10 1.25 -0.63 -1.01 -0.57 0.00 0.00 179.45 179.60 2bj9 s HIS 125 N -3.79 0.34 0.00 -1.35 3.76 -1.14 -4.99 115.29 108.11 2bj9 s HIS 125 Ca -0.10 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 2bj9 s HIS 125 Cb 0.09 -0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.53 2bj9 s HIS 125 CO 0.90 -0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.88 2bj9 n GLY 126 N 0.71 2.20 3.01 -2.22 0.00 -1.25 -1.32 105.19 106.32 2bj9 n GLY 126 Ca -0.18 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2bj9 n GLY 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bj9 s LYS 127 N -0.83 0.42 -0.18 1.61 2.47 -0.35 -4.96 119.74 117.92 2bj9 s LYS 127 Ca 0.00 -0.53 -0.07 0.00 -1.56 0.00 0.00 55.97 53.81 2bj9 s LYS 127 Cb 0.00 -0.24 -0.04 0.00 -1.46 0.00 0.00 37.83 36.09 2bj9 s LYS 127 CO 0.00 0.05 0.07 -1.17 0.16 0.00 0.00 175.35 174.45 2bj9 s LEU 128 N -1.06 3.85 -0.28 5.43 2.96 -1.26 -0.75 118.68 127.57 2bj9 s LEU 128 Ca -0.07 0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.88 2bj9 s LEU 128 Cb -0.07 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.65 2bj9 s LEU 128 CO -0.00 0.19 0.06 -0.69 -1.32 0.00 0.00 176.35 174.59 2bj9 s VAL 129 N 0.28 3.87 -0.39 1.68 1.01 -0.86 -4.95 120.40 121.05 2bj9 s VAL 129 Ca 0.04 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 2bj9 s VAL 129 Cb -0.12 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.32 2bj9 s VAL 129 CO 0.00 0.15 0.75 -0.04 0.00 0.00 0.00 175.10 175.96 2bj9 s MET 130 N 1.50 3.64 0.00 2.72 1.00 -1.26 -1.57 119.30 125.33 2bj9 s MET 130 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 55.69 55.86 2bj9 s MET 130 Cb -0.17 -3.84 0.00 0.00 0.00 0.00 0.00 34.83 30.82 2bj9 s MET 130 CO 0.02 -0.90 0.00 -2.37 0.00 0.00 0.00 175.02 171.77 2bj9 n THR 131 N 5.83 0.00 -4.65 2.05 5.66 -0.51 -4.91 114.28 117.76 2bj9 n THR 131 Ca 0.02 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.72 2bj9 n THR 131 Cb 0.48 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.18 2bj9 n THR 131 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2bj9 s SER 132 N 1.00 3.54 0.00 1.09 0.15 -1.25 -3.85 113.70 114.37 2bj9 s SER 132 Ca 0.00 -1.64 0.12 0.00 0.70 0.00 0.00 55.95 55.13 2bj9 s SER 132 Cb 0.00 0.45 0.23 0.00 -1.71 0.00 0.00 66.02 64.99 2bj9 s SER 132 CO 0.00 -0.85 1.11 0.35 1.20 0.00 0.00 173.24 175.05 2bj9 n THR 133 N -1.09 0.55 0.00 6.45 -2.24 -1.26 -4.26 114.28 112.43 2bj9 n THR 133 Ca -0.13 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2bj9 n THR 133 Cb 0.66 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 2bj9 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bj9 n GLY 134 N 0.67 1.02 0.35 3.38 0.00 -1.26 -4.82 105.19 104.53 2bj9 n GLY 134 Ca 0.10 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.41 2bj9 n GLY 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bj9 n LYS 135 N 0.00 -0.01 -0.07 1.61 4.81 -1.26 0.16 118.16 123.39 2bj9 n LYS 135 Ca 0.00 0.75 0.09 0.00 -0.87 0.00 0.00 58.31 58.28 2bj9 n LYS 135 Cb 0.00 -1.56 0.13 0.00 0.02 0.00 0.00 35.03 33.62 2bj9 n LYS 135 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2bj9 n GLU 136 N -3.67 1.38 -3.73 1.64 0.00 -1.26 -5.05 120.64 109.95 2bj9 n GLU 136 Ca 0.26 -2.48 -0.24 0.00 0.00 0.00 0.00 57.16 54.70 2bj9 n GLU 136 Cb 1.09 -1.45 -0.01 0.00 0.00 0.00 0.00 31.44 31.07 2bj9 n GLU 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2bj9 s LEU 137 N -2.71 2.92 0.00 -1.84 1.43 0.12 -5.15 118.68 113.46 2bj9 s LEU 137 Ca 0.29 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2bj9 s LEU 137 Cb 0.26 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 45.03 2bj9 s LEU 137 CO 0.03 -1.00 0.00 1.33 0.23 0.00 0.00 176.35 176.94