#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bj8 s GLU 2 N 0.00 0.18 -0.17 2.12 2.12 -1.26 -5.14 118.70 116.55 2bj8 s GLU 2 Ca 0.00 0.68 -0.09 0.00 0.36 0.00 0.00 54.97 55.92 2bj8 s GLU 2 Cb 0.00 -0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.28 2bj8 s GLU 2 CO 0.00 -0.24 0.15 -0.51 -0.54 0.00 0.00 175.26 174.12 2bj8 s LEU 3 N 1.99 4.28 -0.18 2.70 1.43 -1.26 -5.08 118.68 122.56 2bj8 s LEU 3 Ca -0.03 0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 53.39 2bj8 s LEU 3 Cb -0.11 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 2bj8 s LEU 3 CO -0.09 0.26 -0.07 -0.63 0.23 0.00 0.00 176.35 176.06 2bj8 s ILE 4 N -0.18 3.35 -0.15 -0.59 1.01 -1.26 -5.10 121.20 118.28 2bj8 s ILE 4 Ca 0.11 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 2bj8 s ILE 4 Cb -0.12 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2bj8 s ILE 4 CO 0.01 0.47 0.06 -0.60 0.00 0.00 0.00 174.94 174.88 2bj8 s ARG 5 N 0.91 3.69 0.10 2.79 3.52 -1.26 -5.09 118.95 123.61 2bj8 s ARG 5 Ca -0.01 -0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 55.14 2bj8 s ARG 5 Cb -0.15 -3.12 0.01 0.00 -1.56 0.00 0.00 34.95 30.14 2bj8 s ARG 5 CO 0.01 0.44 0.28 -0.59 -0.81 0.00 0.00 175.30 174.63 2bj8 s PHE 6 N -0.11 -0.00 0.14 5.12 -0.71 -1.26 -5.17 117.98 115.99 2bj8 s PHE 6 Ca 0.07 -0.38 0.04 0.00 -1.04 0.00 0.00 56.93 55.62 2bj8 s PHE 6 Cb -0.12 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 2bj8 s PHE 6 CO 0.01 -0.61 0.15 -1.12 -1.34 0.00 0.00 175.22 172.31 2bj8 s SER 7 N -2.84 5.66 0.04 1.98 0.01 -1.26 -5.13 113.70 112.17 2bj8 s SER 7 Ca 0.04 -0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.21 2bj8 s SER 7 Cb 0.04 -1.53 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 2bj8 s SER 7 CO -0.11 0.09 0.06 0.27 0.41 0.00 0.00 173.24 173.95 2bj8 s ILE 8 N -1.67 0.15 -0.16 1.44 -4.36 -1.26 -5.15 121.20 110.18 2bj8 s ILE 8 Ca 0.31 -1.20 0.01 0.00 -0.26 0.00 0.00 60.65 59.52 2bj8 s ILE 8 Cb -0.11 -0.93 0.01 0.00 1.25 0.00 0.00 42.46 42.68 2bj8 s ILE 8 CO 0.24 -0.66 -0.19 -0.44 0.24 0.00 0.00 174.94 174.13 2bj8 s SER 9 N -2.20 3.31 -0.00 4.36 0.01 -1.26 -5.12 113.70 112.80 2bj8 s SER 9 Ca -0.04 -0.58 0.08 0.00 1.31 0.00 0.00 55.95 56.72 2bj8 s SER 9 Cb -0.01 -1.50 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 2bj8 s SER 9 CO -0.05 0.05 -0.26 -0.63 0.41 0.00 0.00 173.24 172.76 2bj8 s ILE 10 N 1.03 2.05 -0.01 1.44 -1.09 -1.26 -5.08 121.20 118.27 2bj8 s ILE 10 Ca -0.02 -1.17 -0.37 0.00 -2.23 0.00 0.00 60.65 56.86 2bj8 s ILE 10 Cb -0.15 -1.71 -0.15 0.00 -1.58 0.00 0.00 42.46 38.87 2bj8 s ILE 10 CO -0.06 0.51 1.57 -2.65 -1.23 0.00 0.00 174.94 173.09 2bj8 n PRO 11 N 2.26 1.51 -0.23 2.79 -0.02 -1.26 -4.78 135.00 135.27 2bj8 n PRO 11 Ca -0.16 0.55 0.04 0.00 -2.02 0.00 0.00 63.50 61.91 2bj8 n PRO 11 Cb 0.51 -2.26 0.16 0.00 -0.02 0.00 0.00 33.50 31.89 2bj8 n PRO 11 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2bj8 h SER 12 N 6.19 0.04 0.39 2.55 4.64 -1.99 -0.37 113.55 125.01 2bj8 h SER 12 Ca -0.47 0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 60.86 2bj8 h SER 12 Cb 1.30 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 2bj8 h SER 12 CO 0.87 -0.00 -0.50 0.11 -0.87 0.00 0.00 176.83 176.44 2bj8 h LYS 13 N 0.29 0.13 -0.13 4.77 1.79 -1.99 -1.03 116.57 120.39 2bj8 h LYS 13 Ca 0.38 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.75 2bj8 h LYS 13 Cb 0.62 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2bj8 h LYS 13 CO -0.46 0.60 -0.02 1.25 -1.08 0.00 0.00 179.45 179.75 2bj8 h LEU 14 N 0.10 0.25 -0.63 2.94 5.85 -1.62 -1.76 115.31 120.45 2bj8 h LEU 14 Ca 0.00 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.40 2bj8 h LEU 14 Cb 0.93 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2bj8 h LEU 14 CO 0.07 0.53 0.40 0.25 -0.34 0.00 0.00 178.44 179.35 2bj8 h LEU 15 N -0.04 0.66 -0.76 2.25 5.85 -0.93 0.36 115.31 122.70 2bj8 h LEU 15 Ca 0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2bj8 h LEU 15 Cb 0.41 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2bj8 h LEU 15 CO 0.01 0.46 0.49 -0.08 -0.34 0.00 0.00 178.44 178.99 2bj8 h GLU 16 N 0.79 1.01 -0.61 1.25 4.81 -1.08 -0.07 114.58 120.67 2bj8 h GLU 16 Ca 0.25 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 2bj8 h GLU 16 Cb -0.01 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 2bj8 h GLU 16 CO -0.09 0.68 0.05 -0.22 -0.73 0.00 0.00 179.01 178.71 2bj8 h LYS 17 N 1.03 1.05 -0.12 1.92 1.63 -0.64 -2.51 116.57 118.93 2bj8 h LYS 17 Ca 0.28 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2bj8 h LYS 17 Cb -0.10 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 2bj8 h LYS 17 CO -0.06 1.00 0.08 0.35 -3.45 0.00 0.00 179.45 177.37 2bj8 h PHE 18 N 0.95 0.16 -0.79 1.91 3.57 -0.24 -1.97 116.94 120.52 2bj8 h PHE 18 Ca 0.18 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2bj8 h PHE 18 Cb 0.49 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 2bj8 h PHE 18 CO 0.04 0.11 0.48 -0.44 -2.23 0.00 0.00 178.31 176.26 2bj8 h ASP 19 N 0.16 0.95 -0.51 0.41 3.32 -0.94 -1.43 116.42 118.38 2bj8 h ASP 19 Ca 0.04 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2bj8 h ASP 19 Cb -0.01 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2bj8 h ASP 19 CO -0.01 0.73 0.18 -0.61 -1.72 0.00 0.00 179.24 177.81 2bj8 h GLN 20 N 1.09 0.78 0.24 3.56 4.15 -1.20 -2.79 115.11 120.94 2bj8 h GLN 20 Ca 0.29 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 2bj8 h GLN 20 Cb -0.05 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.52 2bj8 h GLN 20 CO -0.05 0.71 -0.11 0.82 -1.93 0.00 0.00 178.83 178.26 2bj8 h ILE 21 N 0.69 0.81 -0.15 2.39 2.04 -0.81 -2.92 117.51 119.57 2bj8 h ILE 21 Ca 0.17 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.36 2bj8 h ILE 21 Cb 0.24 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2bj8 h ILE 21 CO -0.01 0.15 0.11 0.16 0.00 0.00 0.00 178.15 178.55 2bj8 h ILE 22 N -0.70 0.93 -0.21 -0.67 3.07 -1.34 -0.09 117.51 118.50 2bj8 h ILE 22 Ca -0.03 -0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.31 2bj8 h ILE 22 Cb 0.48 0.92 -0.00 0.00 -0.27 0.00 0.00 36.82 37.95 2bj8 h ILE 22 CO 0.05 0.00 -0.12 -0.08 -1.05 0.00 0.00 178.15 176.95 2bj8 h GLU 23 N 0.00 0.45 -0.61 0.16 4.81 -1.50 0.06 114.58 117.96 2bj8 h GLU 23 Ca 0.07 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2bj8 h GLU 23 Cb 0.27 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2bj8 h GLU 23 CO -0.00 0.75 0.35 1.49 -0.73 0.00 0.00 179.01 180.87 2bj8 h GLU 24 N 0.15 0.84 -0.93 1.92 4.81 -1.08 -2.49 114.58 117.79 2bj8 h GLU 24 Ca 0.04 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2bj8 h GLU 24 Cb 0.63 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2bj8 h GLU 24 CO 0.04 0.62 0.53 0.82 -0.73 0.00 0.00 179.01 180.28 2bj8 h ILE 25 N 0.82 1.26 0.00 2.32 2.04 -0.97 -3.47 117.51 119.51 2bj8 h ILE 25 Ca 0.22 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2bj8 h ILE 25 Cb 0.01 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 2bj8 h ILE 25 CO -0.04 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.01 2bj8 n GLY 26 N -1.19 0.39 3.76 5.37 0.00 -0.50 -5.10 105.19 107.94 2bj8 n GLY 26 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2bj8 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bj8 s TYR 27 N -1.24 2.73 0.18 1.61 1.51 -0.11 -4.92 117.35 117.11 2bj8 s TYR 27 Ca 0.00 1.48 0.01 0.00 -1.01 0.00 0.00 57.07 57.55 2bj8 s TYR 27 Cb 0.00 -3.53 0.07 0.00 -0.11 0.00 0.00 41.96 38.39 2bj8 s TYR 27 CO 0.00 -1.92 1.43 0.93 -1.11 0.00 0.00 175.55 174.88 2bj8 h GLU 28 N 2.03 0.28 -2.60 -0.62 5.08 -1.96 -3.42 114.58 113.38 2bj8 h GLU 28 Ca -0.50 -0.25 0.08 0.00 -1.00 0.00 0.00 59.36 57.69 2bj8 h GLU 28 Cb 1.26 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.45 2bj8 h GLU 28 CO 0.60 0.93 0.37 0.54 -1.00 0.00 0.00 179.01 180.45 2bj8 s ASN 29 N -6.95 -0.38 0.27 1.42 2.20 -1.26 -5.05 114.94 105.19 2bj8 s ASN 29 Ca -0.04 -0.15 -0.02 0.00 -0.94 0.00 0.00 52.86 51.70 2bj8 s ASN 29 Cb 0.11 0.51 0.40 0.00 -2.00 0.00 0.00 41.25 40.27 2bj8 s ASN 29 CO 0.83 -0.87 1.89 -0.09 -2.94 0.00 0.00 177.10 175.92 2bj8 h ARG 30 N 2.00 1.15 -0.63 3.55 2.43 -1.98 -2.52 114.38 118.39 2bj8 h ARG 30 Ca -0.26 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 2bj8 h ARG 30 Cb 1.26 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 2bj8 h ARG 30 CO 0.31 0.76 0.29 0.77 -1.51 0.00 0.00 179.97 180.60 2bj8 h SER 31 N 1.19 0.84 -0.54 -3.80 0.02 -1.99 -0.69 113.55 108.58 2bj8 h SER 31 Ca 0.43 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 2bj8 h SER 31 Cb 0.14 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2bj8 h SER 31 CO -0.16 0.75 0.16 -0.08 -1.14 0.00 0.00 176.83 176.36 2bj8 h GLU 32 N 0.88 0.85 -0.72 3.45 4.57 -1.91 -1.09 114.58 120.60 2bj8 h GLU 32 Ca 0.22 -0.19 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 2bj8 h GLU 32 Cb 0.14 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 2bj8 h GLU 32 CO -0.03 0.78 0.20 0.00 -1.18 0.00 0.00 179.01 178.78 2bj8 h ALA 33 N 1.03 0.95 -0.40 2.92 0.00 -1.16 -1.17 119.26 121.43 2bj8 h ALA 33 Ca 0.17 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2bj8 h ALA 33 Cb 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2bj8 h ALA 33 CO -0.00 0.66 -0.34 0.82 0.00 0.00 0.00 179.25 180.39 2bj8 h ILE 34 N 1.09 1.27 -0.50 0.00 2.04 -0.95 -0.94 117.51 119.52 2bj8 h ILE 34 Ca 0.23 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 2bj8 h ILE 34 Cb 0.35 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2bj8 h ILE 34 CO -0.00 0.51 0.15 0.03 0.00 0.00 0.00 178.15 178.84 2bj8 h ARG 35 N 0.76 0.74 -0.78 2.37 3.08 -1.03 -0.60 114.38 118.91 2bj8 h ARG 35 Ca 0.07 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 2bj8 h ARG 35 Cb 0.93 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 2bj8 h ARG 35 CO 0.09 0.65 0.29 -0.44 -1.07 0.00 0.00 179.97 179.49 2bj8 h ASP 36 N 0.73 1.10 -0.74 7.04 3.45 -0.79 -0.70 116.42 126.50 2bj8 h ASP 36 Ca 0.17 -0.18 -0.06 0.00 0.43 0.00 0.00 57.03 57.38 2bj8 h ASP 36 Cb 0.22 -0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 38.68 2bj8 h ASP 36 CO -0.01 0.99 0.22 -0.07 -1.57 0.00 0.00 179.24 178.79 2bj8 h LEU 37 N 1.15 1.09 -0.71 1.55 3.38 -0.22 -0.94 115.31 120.61 2bj8 h LEU 37 Ca 0.26 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2bj8 h LEU 37 Cb 0.24 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2bj8 h LEU 37 CO -0.02 1.02 -0.19 0.40 0.09 0.00 0.00 178.44 179.75 2bj8 h ILE 38 N 1.11 1.27 -0.55 1.22 2.04 -0.72 -0.79 117.51 121.08 2bj8 h ILE 38 Ca 0.24 -1.29 -0.09 0.00 1.00 0.00 0.00 64.86 64.71 2bj8 h ILE 38 Cb 0.33 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2bj8 h ILE 38 CO -0.00 0.44 -0.02 0.03 0.00 0.00 0.00 178.15 178.59 2bj8 h ARG 39 N 0.70 0.99 -0.41 2.37 3.08 -0.84 -1.58 114.38 118.69 2bj8 h ARG 39 Ca 0.10 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2bj8 h ARG 39 Cb 0.70 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2bj8 h ARG 39 CO 0.05 1.00 0.22 0.22 -1.07 0.00 0.00 179.97 180.40 2bj8 h ASP 40 N 0.87 0.51 -1.00 7.04 3.58 -0.85 -0.44 116.42 126.13 2bj8 h ASP 40 Ca 0.15 -0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.53 2bj8 h ASP 40 Cb 0.57 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.44 2bj8 h ASP 40 CO 0.03 0.45 0.66 0.15 -2.88 0.00 0.00 179.24 177.65 2bj8 h PHE 41 N 0.53 1.25 -0.28 0.28 3.04 -0.97 -0.80 116.94 119.99 2bj8 h PHE 41 Ca 0.14 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.98 2bj8 h PHE 41 Cb 0.05 -0.42 -0.01 0.00 2.56 0.00 0.00 35.95 38.13 2bj8 h PHE 41 CO -0.02 0.78 -0.42 0.82 -2.02 0.00 0.00 178.31 177.44 2bj8 h ILE 42 N 1.34 1.29 -0.46 1.41 2.04 -0.92 -2.39 117.51 119.83 2bj8 h ILE 42 Ca 0.37 -1.60 -0.07 0.00 1.00 0.00 0.00 64.86 64.56 2bj8 h ILE 42 Cb -0.13 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2bj8 h ILE 42 CO -0.09 0.51 0.00 0.40 0.00 0.00 0.00 178.15 178.98 2bj8 h ILE 43 N 0.57 1.26 -0.77 -0.67 2.04 -0.45 -1.66 117.51 117.83 2bj8 h ILE 43 Ca 0.04 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2bj8 h ILE 43 Cb 0.96 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 2bj8 h ILE 43 CO 0.09 0.36 0.50 0.03 0.00 0.00 0.00 178.15 179.13 2bj8 h ARG 44 N 0.65 1.03 0.00 2.37 3.08 -1.10 -1.69 114.38 118.72 2bj8 h ARG 44 Ca 0.13 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 2bj8 h ARG 44 Cb 0.50 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2bj8 h ARG 44 CO 0.02 0.70 -0.25 1.25 -1.07 0.00 0.00 179.97 180.62 2bj8 h HIS 45 N 1.05 0.00 -0.10 3.04 2.76 -1.19 -1.80 115.15 118.90 2bj8 h HIS 45 Ca 0.28 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.40 2bj8 h HIS 45 Cb -0.09 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 2bj8 h HIS 45 CO -0.01 0.25 -0.17 1.49 -1.30 0.00 0.00 177.93 178.19 2bj8 h GLU 46 N 0.00 0.17 0.00 5.26 4.81 -0.36 -1.30 114.58 123.16 2bj8 h GLU 46 Ca -0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2bj8 h GLU 46 Cb 0.45 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2bj8 h GLU 46 CO 0.03 0.34 -0.11 0.91 -0.73 0.00 0.00 179.01 179.46 2bj8 n TRP 47 N -4.26 0.60 -0.10 0.92 7.02 -0.69 -4.16 117.44 116.77 2bj8 n TRP 47 Ca -0.01 0.18 -0.24 0.00 -1.02 0.00 0.00 57.50 56.41 2bj8 n TRP 47 Cb 0.28 -0.76 -0.12 0.00 -2.42 0.00 0.00 31.31 28.29 2bj8 n TRP 47 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2bj8 n GLU 48 N -2.01 0.63 -5.23 -0.99 1.02 -0.59 -4.77 120.64 108.69 2bj8 n GLU 48 Ca 0.06 0.33 -0.30 0.00 -0.02 0.00 0.00 57.16 57.22 2bj8 n GLU 48 Cb 0.40 -1.61 -0.16 0.00 -0.02 0.00 0.00 31.44 30.05 2bj8 n GLU 48 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2bj8 s VAL 49 N -2.48 1.96 0.00 2.62 1.01 -0.61 -5.07 120.40 117.83 2bj8 s VAL 49 Ca -0.32 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2bj8 s VAL 49 Cb 0.10 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2bj8 s VAL 49 CO 0.59 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.86 2bj8 n GLY 50 N 2.58 -2.08 0.00 4.51 0.00 -1.26 -4.64 105.19 104.30 2bj8 n GLY 50 Ca -0.16 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.68 2bj8 n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bj8 n ASN 51 N 0.00 0.79 -4.62 1.61 3.02 -1.26 -4.93 115.26 109.87 2bj8 n ASN 51 Ca 0.00 -1.31 -0.38 0.00 -0.03 0.00 0.00 54.58 52.86 2bj8 n ASN 51 Cb 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 2bj8 n ASN 51 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2bj8 n GLU 52 N -0.15 1.00 -2.26 3.52 0.00 -1.26 -4.79 120.64 116.70 2bj8 n GLU 52 Ca 0.00 0.38 -0.42 0.00 0.00 0.00 0.00 57.16 57.13 2bj8 n GLU 52 Cb 0.29 -2.18 -0.03 0.00 0.00 0.00 0.00 31.44 29.52 2bj8 n GLU 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2bj8 s GLU 53 N -2.69 4.39 0.43 3.44 2.12 -1.26 -4.47 118.70 120.67 2bj8 s GLU 53 Ca 0.74 2.00 0.04 0.00 0.36 0.00 0.00 54.97 58.10 2bj8 s GLU 53 Cb -0.43 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 2bj8 s GLU 53 CO 0.48 -0.27 0.04 0.14 -0.54 0.00 0.00 175.26 175.11 2bj8 s VAL 54 N 0.45 1.22 0.04 3.70 -7.23 0.13 -4.61 120.40 114.10 2bj8 s VAL 54 Ca 0.58 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 2bj8 s VAL 54 Cb -0.35 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 2bj8 s VAL 54 CO 0.35 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 175.09 2bj8 s ALA 55 N -2.99 0.42 0.29 1.32 0.00 -1.18 -1.66 121.76 117.95 2bj8 s ALA 55 Ca 0.22 -0.83 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 2bj8 s ALA 55 Cb 0.05 0.14 0.06 0.00 0.00 0.00 0.00 23.12 23.37 2bj8 s ALA 55 CO 0.11 -0.16 0.88 0.20 0.00 0.00 0.00 175.76 176.79 2bj8 s GLY 56 N -1.92 0.18 0.04 0.00 0.00 -0.02 -0.97 107.32 104.62 2bj8 s GLY 56 Ca -0.07 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.20 2bj8 s GLY 56 CO -0.03 0.66 -0.10 -0.51 0.00 0.00 0.00 173.10 173.12 2bj8 s THR 57 N -2.52 0.77 -0.21 0.90 -4.23 -0.88 -0.55 115.64 108.92 2bj8 s THR 57 Ca 0.17 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 2bj8 s THR 57 Cb -0.04 -0.75 0.05 0.00 1.34 0.00 0.00 72.50 73.10 2bj8 s THR 57 CO 0.08 -0.17 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.27 2bj8 s ILE 58 N -1.02 1.64 -0.22 2.99 1.01 0.20 0.07 121.20 125.87 2bj8 s ILE 58 Ca -0.04 -1.09 -0.10 0.00 0.00 0.00 0.00 60.65 59.43 2bj8 s ILE 58 Cb -0.08 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 2bj8 s ILE 58 CO 0.01 0.09 0.13 -0.89 0.00 0.00 0.00 174.94 174.28 2bj8 s THR 59 N 1.38 5.20 0.07 2.92 2.01 -0.37 -0.48 115.64 126.36 2bj8 s THR 59 Ca -0.03 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.11 2bj8 s THR 59 Cb -0.17 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2bj8 s THR 59 CO -0.07 0.40 -0.08 0.27 -0.69 0.00 0.00 174.62 174.44 2bj8 s ILE 60 N 0.74 0.67 -0.02 1.82 -4.36 -0.01 -0.58 121.20 119.47 2bj8 s ILE 60 Ca 0.07 -1.49 0.03 0.00 -0.26 0.00 0.00 60.65 58.99 2bj8 s ILE 60 Cb -0.13 -1.14 -0.00 0.00 1.25 0.00 0.00 42.46 42.44 2bj8 s ILE 60 CO 0.02 -0.59 -0.11 -0.69 0.24 0.00 0.00 174.94 173.80 2bj8 s VAL 61 N -2.39 0.93 0.21 8.37 1.01 -0.26 -1.05 120.40 127.22 2bj8 s VAL 61 Ca 0.01 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 2bj8 s VAL 61 Cb -0.03 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.59 2bj8 s VAL 61 CO -0.02 0.28 0.63 -0.72 0.00 0.00 0.00 175.10 175.27 2bj8 s TYR 62 N -0.00 -0.36 -0.39 5.22 -0.85 -0.73 -1.06 117.35 119.18 2bj8 s TYR 62 Ca -0.00 0.05 -0.15 0.00 -0.52 0.00 0.00 57.07 56.44 2bj8 s TYR 62 Cb -0.07 0.59 0.01 0.00 0.38 0.00 0.00 41.96 42.87 2bj8 s TYR 62 CO 0.00 -1.00 0.34 1.21 -1.52 0.00 0.00 175.55 174.59 2bj8 s ASN 63 N -2.83 6.14 0.43 -0.18 3.84 -1.26 -0.30 114.94 120.78 2bj8 s ASN 63 Ca 0.06 -0.67 0.30 0.00 0.21 0.00 0.00 52.86 52.75 2bj8 s ASN 63 Cb -0.03 -2.18 1.47 0.00 -0.55 0.00 0.00 41.25 39.96 2bj8 s ASN 63 CO -0.05 -0.44 1.90 1.12 -2.79 0.00 0.00 177.10 176.84 2bj8 h HIS 64 N 8.61 0.00 0.00 0.43 2.07 -1.82 -1.81 115.15 122.63 2bj8 h HIS 64 Ca -0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 2bj8 h HIS 64 Cb 1.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.11 2bj8 h HIS 64 CO 0.61 0.00 -0.46 -0.25 -3.07 0.00 0.00 177.93 174.75 2bj8 n ASP 65 N -2.59 0.47 -4.68 3.10 8.00 -1.26 -4.66 116.55 114.92 2bj8 n ASP 65 Ca -0.01 -0.16 -0.42 0.00 0.71 0.00 0.00 54.79 54.91 2bj8 n ASP 65 Cb 0.13 0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 2bj8 n ASP 65 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2bj8 s GLU 66 N -3.01 4.39 0.95 -1.24 2.12 -0.68 -4.94 118.70 116.29 2bj8 s GLU 66 Ca 0.11 1.28 0.00 0.00 0.36 0.00 0.00 54.97 56.71 2bj8 s GLU 66 Cb 0.17 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 31.02 2bj8 s GLU 66 CO 0.69 -0.30 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 2bj8 n GLY 67 N 3.18 2.41 0.57 -1.50 0.00 -1.26 -3.11 105.19 105.48 2bj8 n GLY 67 Ca 0.07 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.09 2bj8 n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bj8 n ASP 68 N 0.81 2.04 -0.25 1.61 3.85 -1.26 -4.80 116.55 118.55 2bj8 n ASP 68 Ca 0.00 -3.67 0.00 0.00 -0.71 0.00 0.00 54.79 50.42 2bj8 n ASP 68 Cb 0.00 -0.52 0.13 0.00 -1.35 0.00 0.00 41.12 39.38 2bj8 n ASP 68 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.20 177.81 2bj8 h VAL 69 N 0.80 0.93 -0.29 2.12 3.04 -1.88 -0.01 116.25 120.96 2bj8 h VAL 69 Ca 0.03 -0.24 0.04 0.00 -1.01 0.00 0.00 66.70 65.51 2bj8 h VAL 69 Cb 1.11 0.16 -0.03 0.00 -2.01 0.00 0.00 31.29 30.51 2bj8 h VAL 69 CO 0.06 0.13 0.08 0.58 -1.01 0.00 0.00 177.57 177.41 2bj8 h VAL 70 N 0.71 0.89 -0.44 1.51 2.07 -1.83 0.18 116.25 119.34 2bj8 h VAL 70 Ca 0.34 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.69 2bj8 h VAL 70 Cb 0.27 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2bj8 h VAL 70 CO -0.22 0.04 -0.14 0.50 0.02 0.00 0.00 177.57 177.77 2bj8 h LYS 71 N 0.20 0.88 -0.69 1.57 3.64 -1.85 -2.48 116.57 117.84 2bj8 h LYS 71 Ca 0.13 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2bj8 h LYS 71 Cb 0.12 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2bj8 h LYS 71 CO -0.15 0.99 0.44 0.00 -2.27 0.00 0.00 179.45 178.46 2bj8 h ALA 72 N 0.86 0.87 -0.03 5.00 0.00 -0.58 -1.49 119.26 123.89 2bj8 h ALA 72 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2bj8 h ALA 72 Cb 0.69 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2bj8 h ALA 72 CO 0.05 0.32 0.02 -0.07 0.00 0.00 0.00 179.25 179.56 2bj8 h LEU 73 N 0.94 0.04 -0.27 0.00 3.38 -0.52 -1.61 115.31 117.26 2bj8 h LEU 73 Ca 0.25 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2bj8 h LEU 73 Cb -0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2bj8 h LEU 73 CO -0.05 0.13 0.09 -0.07 0.09 0.00 0.00 178.44 178.63 2bj8 h LEU 74 N -0.05 0.10 -0.55 1.67 3.38 -1.27 -0.78 115.31 117.81 2bj8 h LEU 74 Ca 0.01 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2bj8 h LEU 74 Cb 0.10 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2bj8 h LEU 74 CO -0.00 0.09 0.34 0.44 0.09 0.00 0.00 178.44 179.40 2bj8 h ASP 75 N 0.22 0.56 0.04 -0.43 3.45 -1.17 0.49 116.42 119.59 2bj8 h ASP 75 Ca 0.12 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.58 2bj8 h ASP 75 Cb 0.09 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 2bj8 h ASP 75 CO -0.12 0.40 -0.02 -0.07 -1.57 0.00 0.00 179.24 177.86 2bj8 h LEU 76 N 0.68 -0.05 -0.77 1.55 3.38 -0.98 -2.89 115.31 116.23 2bj8 h LEU 76 Ca 0.22 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2bj8 h LEU 76 Cb -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2bj8 h LEU 76 CO -0.08 0.01 0.40 1.56 0.09 0.00 0.00 178.44 180.42 2bj8 h GLN 77 N -0.11 1.08 0.00 1.13 4.20 -0.81 -1.82 115.11 118.79 2bj8 h GLN 77 Ca -0.01 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2bj8 h GLN 77 Cb 0.09 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2bj8 h GLN 77 CO 0.01 0.82 0.00 0.72 -0.67 0.00 0.00 178.83 179.71 2bj8 n HIS 78 N -4.42 0.10 0.58 2.96 8.25 0.14 -1.20 115.22 121.63 2bj8 n HIS 78 Ca 0.07 0.04 0.13 0.00 -0.26 0.00 0.00 57.72 57.70 2bj8 n HIS 78 Cb 0.11 -0.57 0.31 0.00 1.12 0.00 0.00 29.99 30.97 2bj8 n HIS 78 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2bj8 h GLU 79 N 0.00 0.00 -1.31 -0.41 4.81 -1.11 -3.34 114.58 113.22 2bj8 h GLU 79 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 2bj8 h GLU 79 Cb 0.22 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 29.18 2bj8 h GLU 79 CO 0.00 0.00 -0.85 0.66 -0.73 0.00 0.00 179.01 178.09 2bj8 n TYR 80 N -2.26 2.83 0.13 0.92 4.02 -0.34 -4.87 117.16 117.58 2bj8 n TYR 80 Ca 0.05 -2.94 0.17 0.00 -0.01 0.00 0.00 57.90 55.17 2bj8 n TYR 80 Cb 0.44 -0.17 0.74 0.00 -0.02 0.00 0.00 39.34 40.33 2bj8 n TYR 80 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2bj8 h LEU 81 N 2.63 0.00 -0.33 7.72 3.38 -1.69 -1.77 115.31 125.26 2bj8 h LEU 81 Ca 0.21 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 2bj8 h LEU 81 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2bj8 h LEU 81 CO 0.75 0.00 -0.61 0.44 0.09 0.00 0.00 178.44 179.11 2bj8 h ASP 82 N 0.00 0.00 0.07 -0.43 3.32 -1.92 -3.36 116.42 114.10 2bj8 h ASP 82 Ca 0.14 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.82 2bj8 h ASP 82 Cb 0.66 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 2bj8 h ASP 82 CO -0.00 0.61 -2.30 -0.62 -1.72 0.00 0.00 179.24 175.21 2bj8 n GLU 83 N -3.40 0.68 -2.79 3.56 4.71 -0.79 -4.87 120.64 117.73 2bj8 n GLU 83 Ca 0.01 0.13 -0.42 0.00 -0.01 0.00 0.00 57.16 56.87 2bj8 n GLU 83 Cb 0.72 -1.58 -0.03 0.00 -1.01 0.00 0.00 31.44 29.54 2bj8 n GLU 83 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2bj8 s ILE 84 N -2.52 4.80 -0.17 -3.67 1.01 -0.73 -0.43 121.20 119.48 2bj8 s ILE 84 Ca -0.23 1.79 -0.21 0.00 0.00 0.00 0.00 60.65 62.01 2bj8 s ILE 84 Cb 0.08 -4.21 -0.18 0.00 0.01 0.00 0.00 42.46 38.16 2bj8 s ILE 84 CO 0.72 -0.06 0.35 0.40 0.00 0.00 0.00 174.94 176.34 2bj8 h ILE 85 N 5.31 1.04 -2.18 2.92 2.04 -1.49 -3.45 117.51 121.70 2bj8 h ILE 85 Ca -0.25 -2.01 0.23 0.00 1.00 0.00 0.00 64.86 63.83 2bj8 h ILE 85 Cb 1.10 2.19 -0.07 0.00 -0.74 0.00 0.00 36.82 39.31 2bj8 h ILE 85 CO 0.89 0.35 0.66 -0.94 0.00 0.00 0.00 178.15 179.11 2bj8 s SER 86 N -6.40 -0.05 -0.00 1.72 1.04 -1.25 -5.04 113.70 103.72 2bj8 s SER 86 Ca -0.21 -0.42 -0.07 0.00 0.48 0.00 0.00 55.95 55.73 2bj8 s SER 86 Cb 0.02 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2bj8 s SER 86 CO 0.53 -0.71 0.13 -0.94 0.98 0.00 0.00 173.24 173.23 2bj8 s SER 87 N -3.25 0.02 -0.14 7.02 1.04 -1.26 -1.41 113.70 115.71 2bj8 s SER 87 Ca 0.19 -0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.43 2bj8 s SER 87 Cb -0.00 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 2bj8 s SER 87 CO 0.02 -0.34 -0.09 -0.22 0.98 0.00 0.00 173.24 173.59 2bj8 s LEU 88 N -1.25 2.95 -0.05 2.42 2.96 -0.11 -4.96 118.68 120.64 2bj8 s LEU 88 Ca -0.13 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 2bj8 s LEU 88 Cb -0.07 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 2bj8 s LEU 88 CO 0.01 0.17 -0.25 -2.28 -1.32 0.00 0.00 176.35 172.69 2bj8 s HIS 89 N 0.31 2.39 -0.09 5.38 5.65 -1.26 -0.77 115.29 126.89 2bj8 s HIS 89 Ca -0.07 -0.69 0.01 0.00 0.25 0.00 0.00 55.06 54.56 2bj8 s HIS 89 Cb -0.15 -1.57 0.02 0.00 -1.18 0.00 0.00 32.58 29.70 2bj8 s HIS 89 CO 0.04 -0.20 -0.12 0.08 -0.65 0.00 0.00 174.74 173.89 2bj8 s VAL 90 N -0.20 1.26 -0.59 0.89 1.01 0.40 -4.99 120.40 118.19 2bj8 s VAL 90 Ca -0.02 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.20 2bj8 s VAL 90 Cb -0.13 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 35.11 2bj8 s VAL 90 CO 0.03 0.39 1.04 -1.00 0.00 0.00 0.00 175.10 175.57 2bj8 s HIS 91 N 1.04 2.68 0.01 5.22 3.76 -1.26 -0.81 115.29 125.93 2bj8 s HIS 91 Ca -0.07 0.03 -0.25 0.00 -0.15 0.00 0.00 55.06 54.62 2bj8 s HIS 91 Cb -0.15 -4.26 -0.18 0.00 1.11 0.00 0.00 32.58 29.10 2bj8 s HIS 91 CO -0.01 -1.52 1.34 0.52 -0.85 0.00 0.00 174.74 174.22 2bj8 h MET 92 N 9.47 -0.21 0.00 1.40 2.86 -1.20 -3.48 114.93 123.76 2bj8 h MET 92 Ca -0.26 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.32 2bj8 h MET 92 Cb 1.07 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 2bj8 h MET 92 CO 1.14 0.11 -0.00 -0.40 1.06 0.00 0.00 176.91 178.82 2bj8 n ASP 93 N -5.04 -0.62 -0.32 1.22 5.68 -1.03 -4.97 116.55 111.48 2bj8 n ASP 93 Ca -0.09 -1.66 0.27 0.00 -0.50 0.00 0.00 54.79 52.81 2bj8 n ASP 93 Cb 0.22 1.10 0.60 0.00 -1.14 0.00 0.00 41.12 41.90 2bj8 n ASP 93 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2bj8 h GLU 94 N 0.00 0.23 0.00 0.11 4.81 -2.04 -3.18 114.58 114.52 2bj8 h GLU 94 Ca -0.11 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 2bj8 h GLU 94 Cb 0.44 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2bj8 h GLU 94 CO 0.14 0.15 -1.37 0.72 -0.73 0.00 0.00 179.01 177.92 2bj8 n HIS 95 N -4.47 0.00 -3.58 0.92 8.25 -1.26 -5.00 115.22 110.08 2bj8 n HIS 95 Ca 0.25 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.34 2bj8 n HIS 95 Cb 1.01 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.79 2bj8 n HIS 95 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2bj8 s ASN 96 N -3.55 6.58 0.06 0.41 0.01 -1.20 -2.21 114.94 115.04 2bj8 s ASN 96 Ca -0.03 0.69 0.09 0.00 -0.71 0.00 0.00 52.86 52.91 2bj8 s ASN 96 Cb 0.02 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.46 2bj8 s ASN 96 CO 0.24 0.25 -0.25 0.00 -1.51 0.00 0.00 177.10 175.83 2bj8 s LEU 98 N -1.40 2.33 -0.02 0.00 0.20 0.01 -1.77 118.68 118.04 2bj8 s LEU 98 Ca 0.13 -0.45 0.01 0.00 0.69 0.00 0.00 54.13 54.51 2bj8 s LEU 98 Cb -0.10 -1.48 0.01 0.00 -0.43 0.00 0.00 46.19 44.19 2bj8 s LEU 98 CO 0.03 0.19 -0.04 -0.70 -0.29 0.00 0.00 176.35 175.54 2bj8 s GLU 99 N 0.18 0.48 -0.13 1.98 2.12 -0.22 -0.45 118.70 122.67 2bj8 s GLU 99 Ca -0.12 -0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.13 2bj8 s GLU 99 Cb -0.16 -0.52 0.01 0.00 0.26 0.00 0.00 34.13 33.73 2bj8 s GLU 99 CO 0.06 0.01 -0.19 0.54 -0.54 0.00 0.00 175.26 175.15 2bj8 s VAL 100 N 0.38 1.80 -0.21 3.70 0.11 0.05 -0.83 120.40 125.40 2bj8 s VAL 100 Ca -0.04 -0.82 -0.07 0.00 -2.93 0.00 0.00 61.98 58.12 2bj8 s VAL 100 Cb -0.08 -1.61 -0.03 0.00 -1.53 0.00 0.00 36.38 33.13 2bj8 s VAL 100 CO -0.00 0.50 0.05 -0.63 -3.33 0.00 0.00 175.10 171.68 2bj8 s ILE 101 N 0.94 4.40 -0.16 7.04 1.01 0.36 -0.93 121.20 133.87 2bj8 s ILE 101 Ca -0.06 -0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 2bj8 s ILE 101 Cb -0.15 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 2bj8 s ILE 101 CO -0.03 0.41 0.42 -0.69 0.00 0.00 0.00 174.94 175.06 2bj8 s VAL 102 N 0.91 5.21 0.09 2.92 1.01 -0.50 -0.63 120.40 129.41 2bj8 s VAL 102 Ca 0.03 0.80 0.07 0.00 0.00 0.00 0.00 61.98 62.89 2bj8 s VAL 102 Cb -0.14 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2bj8 s VAL 102 CO 0.02 0.31 -0.19 0.68 0.00 0.00 0.00 175.10 175.92 2bj8 s VAL 103 N 0.85 1.54 -0.11 2.92 -7.23 0.29 -1.28 120.40 117.38 2bj8 s VAL 103 Ca 0.22 -1.46 -0.06 0.00 -1.81 0.00 0.00 61.98 58.87 2bj8 s VAL 103 Cb -0.15 -1.41 0.04 0.00 0.56 0.00 0.00 36.38 35.43 2bj8 s VAL 103 CO 0.08 -0.10 0.26 -0.75 -0.31 0.00 0.00 175.10 174.28 2bj8 s LYS 104 N -1.83 0.23 0.00 4.82 2.20 0.43 -0.84 119.74 124.75 2bj8 s LYS 104 Ca 0.04 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2bj8 s LYS 104 Cb -0.10 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.15 2bj8 s LYS 104 CO 0.04 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2bj8 n GLY 105 N 4.03 -0.30 3.75 5.54 0.00 -0.67 -4.32 105.19 113.23 2bj8 n GLY 105 Ca -0.23 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 2bj8 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bj8 s GLU 106 N -2.00 4.77 0.16 1.61 2.02 -1.26 -0.69 118.70 123.31 2bj8 s GLU 106 Ca 0.00 1.56 -0.20 0.00 0.02 0.00 0.00 54.97 56.35 2bj8 s GLU 106 Cb 0.00 -3.21 0.07 0.00 0.10 0.00 0.00 34.13 31.08 2bj8 s GLU 106 CO 0.00 0.41 1.63 0.00 0.02 0.00 0.00 175.26 177.33 2bj8 h ALA 107 N 3.97 0.01 -0.67 5.21 0.00 -1.89 -1.17 119.26 124.72 2bj8 h ALA 107 Ca -0.46 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2bj8 h ALA 107 Cb 1.20 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 2bj8 h ALA 107 CO 0.67 -0.60 0.44 1.57 0.00 0.00 0.00 179.25 181.33 2bj8 h LYS 108 N -0.17 0.88 -0.19 0.00 -0.00 -1.94 -0.71 116.57 114.44 2bj8 h LYS 108 Ca 0.17 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.65 60.72 2bj8 h LYS 108 Cb 0.44 -0.20 -0.01 0.00 -0.00 0.00 0.00 32.23 32.46 2bj8 h LYS 108 CO -0.44 0.59 -0.07 -0.22 -0.00 0.00 0.00 179.45 179.31 2bj8 h LYS 109 N 0.91 0.39 -0.51 0.07 3.64 -1.77 -2.56 116.57 116.74 2bj8 h LYS 109 Ca 0.24 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2bj8 h LYS 109 Cb -0.10 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2bj8 h LYS 109 CO -0.05 0.66 0.09 0.82 -2.27 0.00 0.00 179.45 178.70 2bj8 h ILE 110 N 0.10 1.23 -0.15 2.00 2.04 -0.77 -1.52 117.51 120.44 2bj8 h ILE 110 Ca 0.05 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 2bj8 h ILE 110 Cb 0.53 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2bj8 h ILE 110 CO 0.02 0.31 -0.30 0.11 0.00 0.00 0.00 178.15 178.29 2bj8 h LYS 111 N 0.76 0.28 -0.29 2.37 1.57 -1.10 -1.09 116.57 119.07 2bj8 h LYS 111 Ca 0.16 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 2bj8 h LYS 111 Cb 0.33 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2bj8 h LYS 111 CO 0.00 0.57 -0.35 1.98 -0.57 0.00 0.00 179.45 181.08 2bj8 h MET 112 N 0.25 0.76 -0.81 3.15 4.05 -1.00 -0.70 114.93 120.62 2bj8 h MET 112 Ca 0.03 -0.42 0.03 0.00 -0.28 0.00 0.00 59.70 59.06 2bj8 h MET 112 Cb 0.67 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.45 2bj8 h MET 112 CO 0.05 1.05 0.52 0.82 0.23 0.00 0.00 176.91 179.58 2bj8 h ILE 113 N 0.51 1.14 -0.57 1.77 2.04 -0.89 -0.96 117.51 120.57 2bj8 h ILE 113 Ca 0.04 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 2bj8 h ILE 113 Cb 0.94 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2bj8 h ILE 113 CO 0.08 0.19 -0.08 0.00 0.00 0.00 0.00 178.15 178.35 2bj8 h ALA 114 N 1.33 0.77 -0.03 1.87 0.00 -1.06 -1.88 119.26 120.26 2bj8 h ALA 114 Ca 0.32 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2bj8 h ALA 114 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2bj8 h ALA 114 CO -0.10 0.67 -0.10 -0.44 0.00 0.00 0.00 179.25 179.27 2bj8 h ASP 115 N 0.94 -0.31 -0.55 0.00 3.32 -0.35 0.10 116.42 119.58 2bj8 h ASP 115 Ca 0.15 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2bj8 h ASP 115 Cb 0.65 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 2bj8 h ASP 115 CO 0.04 -0.15 0.32 0.11 -1.72 0.00 0.00 179.24 177.84 2bj8 h LYS 116 N -0.16 0.75 -0.07 3.56 1.57 -1.11 -0.72 116.57 120.39 2bj8 h LYS 116 Ca 0.05 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2bj8 h LYS 116 Cb 0.23 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2bj8 h LYS 116 CO -0.13 0.56 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.22 2bj8 h LEU 117 N 0.74 0.14 -1.37 2.94 3.38 -1.12 -3.22 115.31 116.79 2bj8 h LEU 117 Ca 0.20 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2bj8 h LEU 117 Cb 0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2bj8 h LEU 117 CO -0.03 0.48 -0.30 -0.07 0.09 0.00 0.00 178.44 178.61 2bj8 h LEU 118 N -0.20 0.00 -0.04 1.67 3.38 -0.77 -2.79 115.31 116.55 2bj8 h LEU 118 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2bj8 h LEU 118 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2bj8 h LEU 118 CO 0.01 0.30 -0.01 -1.54 0.09 0.00 0.00 178.44 177.28 2bj8 n SER 119 N -3.86 0.08 -4.75 -0.43 3.41 -0.28 -4.84 113.62 102.94 2bj8 n SER 119 Ca -0.01 -0.61 -0.41 0.00 -0.26 0.00 0.00 58.87 57.57 2bj8 n SER 119 Cb 0.38 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 2bj8 n SER 119 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2bj8 s LEU 120 N -2.28 4.39 0.19 1.04 1.02 -1.06 -4.92 118.68 117.06 2bj8 s LEU 120 Ca 0.38 2.70 -0.12 0.00 0.02 0.00 0.00 54.13 57.11 2bj8 s LEU 120 Cb 0.21 -3.63 0.18 0.00 0.02 0.00 0.00 46.19 42.97 2bj8 s LEU 120 CO 0.42 -0.67 1.77 0.50 0.02 0.00 0.00 176.35 178.39 2bj8 h LYS 121 N 4.48 0.47 0.00 1.70 1.63 -1.90 -2.26 116.57 120.69 2bj8 h LYS 121 Ca -0.47 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.29 2bj8 h LYS 121 Cb 1.22 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.74 2bj8 h LYS 121 CO 0.74 0.31 -0.07 0.78 -3.45 0.00 0.00 179.45 177.76 2bj8 h GLY 122 N 0.48 0.00 -5.59 5.01 0.00 -1.92 -3.42 103.07 97.64 2bj8 h GLY 122 Ca 0.25 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.02 2bj8 h GLY 122 CO -0.20 0.00 0.97 0.14 0.00 0.00 0.00 176.54 177.45 2bj8 s VAL 123 N -4.14 4.11 -0.06 4.60 1.01 -0.85 -4.29 120.40 120.78 2bj8 s VAL 123 Ca -0.03 1.30 -0.13 0.00 0.00 0.00 0.00 61.98 63.12 2bj8 s VAL 123 Cb 0.13 -4.00 -0.30 0.00 0.00 0.00 0.00 36.38 32.21 2bj8 s VAL 123 CO 0.54 -0.29 0.65 0.11 0.00 0.00 0.00 175.10 176.11 2bj8 h LYS 124 N 9.03 0.35 -4.04 2.72 1.57 -1.35 -3.47 116.57 121.39 2bj8 h LYS 124 Ca -0.28 -0.60 -0.15 0.00 -1.87 0.00 0.00 60.65 57.76 2bj8 h LYS 124 Cb 1.11 0.22 -0.19 0.00 0.08 0.00 0.00 32.23 33.46 2bj8 h LYS 124 CO 1.00 1.29 -0.67 -1.01 -0.57 0.00 0.00 179.45 179.48 2bj8 s HIS 125 N -2.54 0.34 -0.27 -1.35 3.76 -1.20 -5.00 115.29 109.03 2bj8 s HIS 125 Ca -0.17 -0.70 -0.35 0.00 -0.15 0.00 0.00 55.06 53.69 2bj8 s HIS 125 Cb 0.05 -0.25 0.16 0.00 1.11 0.00 0.00 32.58 33.65 2bj8 s HIS 125 CO 0.83 -0.27 1.34 0.20 -0.85 0.00 0.00 174.74 175.98 2bj8 s GLY 126 N -2.01 -0.14 -0.28 -2.22 0.00 -1.25 -1.10 107.32 100.32 2bj8 s GLY 126 Ca -0.07 2.11 -0.21 0.00 0.00 0.00 0.00 44.72 46.55 2bj8 s GLY 126 CO -0.04 0.75 0.78 1.25 0.00 0.00 0.00 173.10 175.84 2bj8 s LYS 127 N -1.82 0.69 -0.10 2.90 2.47 0.26 -4.98 119.74 119.16 2bj8 s LYS 127 Ca 0.10 0.99 -0.15 0.00 -1.56 0.00 0.00 55.97 55.35 2bj8 s LYS 127 Cb -0.01 0.25 -0.05 0.00 -1.46 0.00 0.00 37.83 36.56 2bj8 s LYS 127 CO -0.04 -0.11 0.36 -1.17 0.16 0.00 0.00 175.35 174.55 2bj8 s LEU 128 N 0.92 4.32 -0.20 5.43 2.96 -1.26 -1.24 118.68 129.61 2bj8 s LEU 128 Ca -0.04 0.70 -0.05 0.00 -0.22 0.00 0.00 54.13 54.52 2bj8 s LEU 128 Cb -0.05 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.13 2bj8 s LEU 128 CO -0.09 0.16 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.39 2bj8 s VAL 129 N -0.01 3.78 -0.28 1.68 1.01 0.11 -4.98 120.40 121.71 2bj8 s VAL 129 Ca 0.21 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 2bj8 s VAL 129 Cb -0.14 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2bj8 s VAL 129 CO 0.08 0.43 0.34 -0.04 0.00 0.00 0.00 175.10 175.90 2bj8 s MET 130 N 1.09 3.98 0.00 2.72 1.00 -1.26 -2.08 119.30 124.75 2bj8 s MET 130 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 55.69 55.65 2bj8 s MET 130 Cb -0.14 -3.67 0.00 0.00 0.00 0.00 0.00 34.83 31.02 2bj8 s MET 130 CO 0.01 -0.27 0.00 -2.37 0.00 0.00 0.00 175.02 172.39 2bj8 n THR 131 N 5.11 0.00 -4.49 2.05 5.66 -0.15 -4.93 114.28 117.54 2bj8 n THR 131 Ca -0.10 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.67 2bj8 n THR 131 Cb 0.51 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.18 2bj8 n THR 131 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2bj8 s SER 132 N 1.00 3.05 0.00 1.09 0.15 -1.25 -3.09 113.70 114.64 2bj8 s SER 132 Ca 0.00 -1.28 0.27 0.00 0.70 0.00 0.00 55.95 55.64 2bj8 s SER 132 Cb 0.00 -0.22 0.90 0.00 -1.71 0.00 0.00 66.02 64.98 2bj8 s SER 132 CO 0.00 -0.42 1.68 0.35 1.20 0.00 0.00 173.24 176.05 2bj8 n THR 133 N -0.73 0.00 0.00 6.45 -2.24 -1.26 -4.49 114.28 112.01 2bj8 n THR 133 Ca -0.04 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2bj8 n THR 133 Cb 0.65 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2bj8 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bj8 n GLY 134 N 1.48 2.57 0.20 3.38 0.00 -1.26 -4.84 105.19 106.72 2bj8 n GLY 134 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 2bj8 n GLY 134 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2bj8 h LYS 135 N 1.13 0.13 -0.67 1.61 3.64 -1.97 -1.67 116.57 118.77 2bj8 h LYS 135 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2bj8 h LYS 135 Cb 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2bj8 h LYS 135 CO 0.00 0.09 0.00 -0.85 -2.27 0.00 0.00 179.45 176.42 2bj8 n GLU 136 N -5.22 2.98 -4.44 1.90 0.00 -1.26 -4.95 120.64 109.66 2bj8 n GLU 136 Ca 0.06 -1.80 -0.23 0.00 0.00 0.00 0.00 57.16 55.19 2bj8 n GLU 136 Cb 0.28 -1.80 -0.08 0.00 0.00 0.00 0.00 31.44 29.84 2bj8 n GLU 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2bj8 s LEU 137 N -1.47 1.89 0.00 -1.84 1.43 -0.63 -5.15 118.68 112.91 2bj8 s LEU 137 Ca 0.32 -1.65 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 2bj8 s LEU 137 Cb 0.22 0.05 0.00 0.00 0.03 0.00 0.00 46.19 46.49 2bj8 s LEU 137 CO 0.12 -0.93 0.00 1.33 0.23 0.00 0.00 176.35 177.11