#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bj3 s GLU 2 N 0.00 3.14 -0.22 2.12 0.41 -1.26 -5.01 118.70 117.88 2bj3 s GLU 2 Ca 0.00 -0.76 -0.29 0.00 -0.41 0.00 0.00 54.97 53.51 2bj3 s GLU 2 Cb 0.00 -4.25 0.00 0.00 -1.78 0.00 0.00 34.13 28.11 2bj3 s GLU 2 CO 0.00 -1.88 1.10 -0.51 -0.49 0.00 0.00 175.26 173.49 2bj3 s LEU 3 N 4.33 4.11 -0.28 1.80 1.43 -1.26 -5.02 118.68 123.79 2bj3 s LEU 3 Ca 0.25 1.45 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 2bj3 s LEU 3 Cb -0.15 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 2bj3 s LEU 3 CO 0.10 -0.71 0.25 -0.63 0.23 0.00 0.00 176.35 175.59 2bj3 s ILE 4 N 3.32 5.27 -0.14 -0.59 1.01 -1.26 -5.07 121.20 123.73 2bj3 s ILE 4 Ca 0.47 0.30 -0.16 0.00 0.00 0.00 0.00 60.65 61.26 2bj3 s ILE 4 Cb -0.17 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2bj3 s ILE 4 CO 0.09 0.22 0.40 -0.60 0.00 0.00 0.00 174.94 175.05 2bj3 s ARG 5 N 1.84 4.29 0.20 2.79 3.52 -1.26 -5.07 118.95 125.27 2bj3 s ARG 5 Ca 0.10 0.29 -0.11 0.00 -0.13 0.00 0.00 55.73 55.87 2bj3 s ARG 5 Cb -0.16 -3.44 -0.00 0.00 -1.56 0.00 0.00 34.95 29.79 2bj3 s ARG 5 CO 0.11 0.17 0.38 -0.59 -0.81 0.00 0.00 175.30 174.56 2bj3 s PHE 6 N 0.64 0.35 0.19 5.12 -0.12 -1.26 -5.18 117.98 117.72 2bj3 s PHE 6 Ca 0.22 -0.70 0.11 0.00 -0.05 0.00 0.00 56.93 56.50 2bj3 s PHE 6 Cb -0.14 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 2bj3 s PHE 6 CO 0.08 -0.85 -0.20 -1.54 -0.05 0.00 0.00 175.22 172.66 2bj3 s SER 7 N -2.98 3.66 0.05 1.98 1.04 -1.26 -5.14 113.70 111.04 2bj3 s SER 7 Ca 0.19 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2bj3 s SER 7 Cb 0.01 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.72 2bj3 s SER 7 CO 0.04 0.12 -0.04 0.27 0.98 0.00 0.00 173.24 174.60 2bj3 s ILE 8 N -1.65 0.34 -0.24 -1.02 -4.36 -1.26 -5.14 121.20 107.87 2bj3 s ILE 8 Ca 0.22 -1.55 -0.04 0.00 -0.26 0.00 0.00 60.65 59.02 2bj3 s ILE 8 Cb -0.08 -1.16 -0.00 0.00 1.25 0.00 0.00 42.46 42.47 2bj3 s ILE 8 CO 0.11 -0.78 -0.02 -0.44 0.24 0.00 0.00 174.94 174.05 2bj3 s SER 9 N -2.45 4.49 -0.05 4.36 0.01 -1.26 -5.09 113.70 113.71 2bj3 s SER 9 Ca 0.01 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.79 2bj3 s SER 9 Cb 0.01 -1.76 0.01 0.00 0.21 0.00 0.00 66.02 64.48 2bj3 s SER 9 CO -0.05 -0.07 -0.14 -0.63 0.41 0.00 0.00 173.24 172.76 2bj3 s ILE 10 N 1.47 1.20 0.20 1.44 -1.09 -1.26 -5.11 121.20 118.05 2bj3 s ILE 10 Ca 0.04 -0.55 -0.32 0.00 -2.23 0.00 0.00 60.65 57.59 2bj3 s ILE 10 Cb -0.15 -1.06 -0.14 0.00 -1.58 0.00 0.00 42.46 39.52 2bj3 s ILE 10 CO -0.02 0.36 1.30 -0.81 -1.23 0.00 0.00 174.94 174.54 2bj3 n PRO 11 N 3.52 1.62 -0.28 2.79 -0.04 -1.26 -4.76 135.00 136.60 2bj3 n PRO 11 Ca -0.21 0.58 0.06 0.00 -0.04 0.00 0.00 63.50 63.89 2bj3 n PRO 11 Cb 0.53 -2.16 0.17 0.00 -0.04 0.00 0.00 33.50 31.99 2bj3 n PRO 11 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2bj3 h SER 12 N 3.88 -0.46 0.14 3.54 0.02 -1.99 -1.52 113.55 117.15 2bj3 h SER 12 Ca -0.44 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2bj3 h SER 12 Cb 1.31 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 64.24 2bj3 h SER 12 CO 0.73 -0.23 -0.13 0.50 -1.14 0.00 0.00 176.83 176.57 2bj3 h LYS 13 N 0.07 -0.28 -0.26 3.45 3.64 -1.99 0.39 116.57 121.59 2bj3 h LYS 13 Ca 0.44 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.86 2bj3 h LYS 13 Cb 0.78 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 2bj3 h LYS 13 CO -0.75 -0.19 0.09 1.25 -2.27 0.00 0.00 179.45 177.58 2bj3 h LEU 14 N -0.29 0.09 -1.05 5.20 5.85 -1.80 -2.07 115.31 121.23 2bj3 h LEU 14 Ca 0.00 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2bj3 h LEU 14 Cb 0.28 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2bj3 h LEU 14 CO -0.03 0.09 0.07 0.25 -0.34 0.00 0.00 178.44 178.47 2bj3 h LEU 15 N 0.20 0.70 0.31 2.25 5.85 -1.02 0.45 115.31 124.06 2bj3 h LEU 15 Ca 0.11 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2bj3 h LEU 15 Cb 0.08 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2bj3 h LEU 15 CO -0.12 0.73 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.48 2bj3 h GLU 16 N 0.72 -0.40 -0.44 1.25 4.57 0.28 0.18 114.58 120.74 2bj3 h GLU 16 Ca 0.15 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.29 2bj3 h GLU 16 Cb 0.34 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 2bj3 h GLU 16 CO 0.01 -0.22 -0.00 -0.22 -1.18 0.00 0.00 179.01 177.40 2bj3 h LYS 17 N -0.48 0.71 -0.33 1.92 3.64 -1.22 -1.76 116.57 119.04 2bj3 h LYS 17 Ca -0.04 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2bj3 h LYS 17 Cb 0.36 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2bj3 h LYS 17 CO 0.07 0.73 0.21 0.35 -2.27 0.00 0.00 179.45 178.53 2bj3 h PHE 18 N 0.67 0.43 -0.91 1.91 3.57 -0.69 -0.95 116.94 120.98 2bj3 h PHE 18 Ca 0.13 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2bj3 h PHE 18 Cb 0.42 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 2bj3 h PHE 18 CO 0.02 0.30 0.51 -0.44 -2.23 0.00 0.00 178.31 176.47 2bj3 h ASP 19 N 0.44 1.12 -0.07 0.41 3.32 -0.59 -0.48 116.42 120.57 2bj3 h ASP 19 Ca 0.12 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2bj3 h ASP 19 Cb -0.02 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 2bj3 h ASP 19 CO -0.02 0.89 0.05 -0.61 -1.72 0.00 0.00 179.24 177.82 2bj3 h GLN 20 N 1.27 0.09 -0.12 3.56 4.15 -0.85 -2.13 115.11 121.07 2bj3 h GLN 20 Ca 0.32 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.73 2bj3 h GLN 20 Cb 0.00 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 2bj3 h GLN 20 CO -0.05 0.07 0.04 0.82 -1.93 0.00 0.00 178.83 177.77 2bj3 h ILE 21 N 0.09 1.18 -0.93 2.39 2.04 -0.92 -2.67 117.51 118.69 2bj3 h ILE 21 Ca 0.03 -0.56 0.13 0.00 1.00 0.00 0.00 64.86 65.46 2bj3 h ILE 21 Cb -0.00 1.32 -0.09 0.00 -0.74 0.00 0.00 36.82 37.31 2bj3 h ILE 21 CO -0.01 0.16 0.55 0.40 0.00 0.00 0.00 178.15 179.26 2bj3 h ILE 22 N 0.01 0.85 0.37 -0.67 5.03 -1.05 -0.28 117.51 121.77 2bj3 h ILE 22 Ca 0.04 -0.29 -0.02 0.00 -0.12 0.00 0.00 64.86 64.47 2bj3 h ILE 22 Cb 0.22 -0.07 0.00 0.00 -3.03 0.00 0.00 36.82 33.95 2bj3 h ILE 22 CO -0.00 0.15 -0.18 -0.08 -0.68 0.00 0.00 178.15 177.36 2bj3 h GLU 23 N 0.85 -0.48 0.42 2.37 4.81 -1.24 -0.33 114.58 120.98 2bj3 h GLU 23 Ca 0.48 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.73 2bj3 h GLU 23 Cb 0.54 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2bj3 h GLU 23 CO -0.29 -0.30 -0.46 0.93 -0.73 0.00 0.00 179.01 178.15 2bj3 h GLU 24 N -0.53 -0.86 -1.10 1.92 5.08 -1.03 -1.95 114.58 116.12 2bj3 h GLU 24 Ca -0.05 0.06 0.32 0.00 -1.00 0.00 0.00 59.36 58.69 2bj3 h GLU 24 Cb 0.40 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2bj3 h GLU 24 CO 0.08 -0.57 0.99 0.82 -1.00 0.00 0.00 179.01 179.33 2bj3 h ILE 25 N -0.89 0.19 0.00 3.13 2.04 -1.10 -3.44 117.51 117.45 2bj3 h ILE 25 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2bj3 h ILE 25 Cb 0.78 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2bj3 h ILE 25 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.68 2bj3 n GLY 26 N -1.72 1.39 3.84 5.37 0.00 -0.73 -5.10 105.19 108.24 2bj3 n GLY 26 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 2bj3 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bj3 s TYR 27 N -2.00 3.41 -0.07 1.61 1.51 -0.16 -4.99 117.35 116.66 2bj3 s TYR 27 Ca 0.00 1.41 -0.03 0.00 -1.01 0.00 0.00 57.07 57.44 2bj3 s TYR 27 Cb 0.00 -2.81 -0.27 0.00 -0.11 0.00 0.00 41.96 38.78 2bj3 s TYR 27 CO 0.00 -0.66 0.55 0.93 -1.11 0.00 0.00 175.55 175.27 2bj3 h GLU 28 N 0.31 0.23 -3.12 -0.62 5.08 -1.95 -3.43 114.58 111.08 2bj3 h GLU 28 Ca -0.46 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 57.51 2bj3 h GLU 28 Cb 1.19 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 2bj3 h GLU 28 CO 0.61 1.08 0.19 0.54 -1.00 0.00 0.00 179.01 180.43 2bj3 s ASN 29 N -6.90 -0.08 0.21 1.42 2.20 -1.26 -5.06 114.94 105.47 2bj3 s ASN 29 Ca -0.16 -0.89 -0.07 0.00 -0.94 0.00 0.00 52.86 50.80 2bj3 s ASN 29 Cb 0.07 0.76 0.16 0.00 -2.00 0.00 0.00 41.25 40.24 2bj3 s ASN 29 CO 0.81 -1.46 1.73 0.03 -2.94 0.00 0.00 177.10 175.27 2bj3 h ARG 30 N 2.03 1.09 -0.28 3.55 3.08 -1.99 -2.87 114.38 119.00 2bj3 h ARG 30 Ca -0.25 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 59.58 2bj3 h ARG 30 Cb 1.25 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 2bj3 h ARG 30 CO 0.32 0.97 0.03 0.77 -1.07 0.00 0.00 179.97 180.98 2bj3 h SER 31 N 1.04 -0.05 -0.18 7.04 0.02 -1.98 0.46 113.55 119.91 2bj3 h SER 31 Ca 0.22 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.25 2bj3 h SER 31 Cb 0.37 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 2bj3 h SER 31 CO 0.00 0.01 0.00 -0.08 -1.14 0.00 0.00 176.83 175.62 2bj3 h GLU 32 N 0.12 0.06 -0.47 3.45 4.57 -1.96 0.16 114.58 120.52 2bj3 h GLU 32 Ca 0.13 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 2bj3 h GLU 32 Cb 0.15 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2bj3 h GLU 32 CO -0.19 0.04 0.02 0.00 -1.18 0.00 0.00 179.01 177.69 2bj3 h ALA 33 N 1.15 0.63 -0.25 2.92 0.00 -1.23 -2.63 119.26 119.85 2bj3 h ALA 33 Ca 0.08 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2bj3 h ALA 33 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2bj3 h ALA 33 CO -0.14 0.41 -0.21 0.82 0.00 0.00 0.00 179.25 180.13 2bj3 h ILE 34 N 0.67 1.25 -0.27 0.00 2.04 0.25 -1.54 117.51 119.91 2bj3 h ILE 34 Ca 0.13 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.85 2bj3 h ILE 34 Cb 0.48 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2bj3 h ILE 34 CO 0.02 0.37 0.13 0.03 0.00 0.00 0.00 178.15 178.70 2bj3 h ARG 35 N 0.41 0.27 -0.91 2.37 3.08 -0.49 0.14 114.38 119.25 2bj3 h ARG 35 Ca 0.07 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.13 2bj3 h ARG 35 Cb 0.59 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 2bj3 h ARG 35 CO 0.04 0.18 0.59 -0.44 -1.07 0.00 0.00 179.97 179.27 2bj3 h ASP 36 N 0.28 1.00 -0.58 7.04 5.19 -1.09 0.13 116.42 128.38 2bj3 h ASP 36 Ca 0.11 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.42 2bj3 h ASP 36 Cb 0.04 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.29 2bj3 h ASP 36 CO -0.08 0.70 0.03 -0.07 -3.12 0.00 0.00 179.24 176.69 2bj3 h LEU 37 N 1.17 1.00 -0.88 1.55 3.38 -0.55 -2.23 115.31 118.75 2bj3 h LEU 37 Ca 0.35 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2bj3 h LEU 37 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2bj3 h LEU 37 CO -0.11 1.04 -0.38 0.40 0.09 0.00 0.00 178.44 179.48 2bj3 h ILE 38 N 0.95 1.30 -0.27 1.22 2.04 0.10 -2.31 117.51 120.54 2bj3 h ILE 38 Ca 0.18 -1.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.51 2bj3 h ILE 38 Cb 0.51 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 2bj3 h ILE 38 CO 0.02 0.45 -0.00 0.03 0.00 0.00 0.00 178.15 178.65 2bj3 h ARG 39 N 0.30 0.48 -0.27 2.37 3.08 -0.42 -2.18 114.38 117.73 2bj3 h ARG 39 Ca 0.03 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 2bj3 h ARG 39 Cb 0.81 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 2bj3 h ARG 39 CO 0.06 0.64 -0.23 0.22 -1.07 0.00 0.00 179.97 179.59 2bj3 h ASP 40 N 0.26 0.51 -0.67 7.04 3.58 -1.39 -2.80 116.42 122.95 2bj3 h ASP 40 Ca 0.08 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 2bj3 h ASP 40 Cb 0.43 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 2bj3 h ASP 40 CO 0.01 0.75 0.37 0.15 -2.88 0.00 0.00 179.24 177.64 2bj3 h PHE 41 N 0.46 0.93 -0.61 0.28 3.57 -1.24 -1.93 116.94 118.40 2bj3 h PHE 41 Ca 0.07 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2bj3 h PHE 41 Cb 0.65 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2bj3 h PHE 41 CO 0.02 0.66 0.25 0.82 -2.23 0.00 0.00 178.31 177.84 2bj3 h ILE 42 N 0.92 1.23 -0.83 1.41 2.04 -1.21 -2.26 117.51 118.80 2bj3 h ILE 42 Ca 0.24 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2bj3 h ILE 42 Cb 0.04 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 2bj3 h ILE 42 CO -0.04 0.27 0.47 0.40 0.00 0.00 0.00 178.15 179.26 2bj3 h ILE 43 N 0.85 1.24 0.00 -0.67 2.04 -1.24 0.17 117.51 119.89 2bj3 h ILE 43 Ca 0.20 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 2bj3 h ILE 43 Cb 0.19 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2bj3 h ILE 43 CO -0.02 0.26 -0.30 0.03 0.00 0.00 0.00 178.15 178.12 2bj3 h ARG 44 N 1.15 0.00 -0.02 2.37 3.08 -1.08 -3.29 114.38 116.58 2bj3 h ARG 44 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2bj3 h ARG 44 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2bj3 h ARG 44 CO -0.05 0.30 0.00 0.72 -1.07 0.00 0.00 179.97 179.87 2bj3 n HIS 45 N -3.47 0.02 -0.18 3.04 8.25 -0.87 -4.62 115.22 117.38 2bj3 n HIS 45 Ca -0.00 -0.02 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 2bj3 n HIS 45 Cb 0.47 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.65 2bj3 n HIS 45 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2bj3 h GLU 46 N 1.87 0.08 0.00 -0.41 5.08 -0.75 -1.59 114.58 118.86 2bj3 h GLU 46 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bj3 h GLU 46 Cb 0.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2bj3 h GLU 46 CO 0.00 0.05 0.64 0.11 -1.00 0.00 0.00 179.01 178.81 2bj3 h TRP 47 N 0.08 0.00 0.00 4.33 5.08 -1.84 0.66 115.95 124.26 2bj3 h TRP 47 Ca 0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.25 2bj3 h TRP 47 Cb 0.44 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.60 2bj3 h TRP 47 CO -0.38 0.00 -0.39 0.39 -1.28 0.00 0.00 178.44 176.78 2bj3 n GLU 48 N -2.35 0.07 -2.76 0.12 1.02 -0.60 -4.71 120.64 111.43 2bj3 n GLU 48 Ca -0.01 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.73 2bj3 n GLU 48 Cb 0.66 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.49 2bj3 n GLU 48 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2bj3 s VAL 49 N -3.04 4.32 0.00 2.62 1.01 0.23 -4.81 120.40 120.73 2bj3 s VAL 49 Ca 0.11 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2bj3 s VAL 49 Cb 0.17 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2bj3 s VAL 49 CO 0.66 -1.05 0.00 0.61 0.00 0.00 0.00 175.10 175.32 2bj3 n GLY 50 N 5.02 0.10 2.69 4.51 0.00 -1.26 -4.78 105.19 111.46 2bj3 n GLY 50 Ca 0.06 -1.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.19 2bj3 n GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bj3 n ASN 51 N 0.00 -1.46 -3.84 1.61 5.15 -1.26 -4.61 115.26 110.86 2bj3 n ASN 51 Ca 0.00 -2.41 -0.23 0.00 -0.60 0.00 0.00 54.58 51.34 2bj3 n ASN 51 Cb 0.00 0.78 0.15 0.00 -0.53 0.00 0.00 39.78 40.18 2bj3 n ASN 51 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2bj3 n GLU 52 N -0.80 -0.70 -2.81 1.20 0.28 -1.26 -4.31 120.64 112.23 2bj3 n GLU 52 Ca -0.06 -1.98 -0.40 0.00 -0.16 0.00 0.00 57.16 54.56 2bj3 n GLU 52 Cb 0.85 -0.95 -0.05 0.00 1.43 0.00 0.00 31.44 32.73 2bj3 n GLU 52 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2bj3 s GLU 53 N -5.21 4.66 0.13 3.44 2.12 -1.26 0.02 118.70 122.61 2bj3 s GLU 53 Ca 0.62 1.34 0.02 0.00 0.36 0.00 0.00 54.97 57.31 2bj3 s GLU 53 Cb -0.02 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 2bj3 s GLU 53 CO 0.42 0.31 -0.06 0.14 -0.54 0.00 0.00 175.26 175.53 2bj3 s VAL 54 N -0.31 0.82 0.05 3.70 -7.23 0.79 -1.45 120.40 116.77 2bj3 s VAL 54 Ca 0.43 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.56 2bj3 s VAL 54 Cb -0.23 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 2bj3 s VAL 54 CO 0.28 -0.77 0.12 0.00 -0.31 0.00 0.00 175.10 174.43 2bj3 s ALA 55 N -3.55 -0.09 0.00 1.32 0.00 -0.62 -0.39 121.76 118.43 2bj3 s ALA 55 Ca 0.15 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2bj3 s ALA 55 Cb 0.05 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2bj3 s ALA 55 CO -0.02 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2bj3 n GLY 56 N 0.48 -0.26 3.02 0.00 0.00 -0.61 -2.30 105.19 105.52 2bj3 n GLY 56 Ca -0.17 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 2bj3 n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bj3 s THR 57 N -4.00 0.11 -0.24 2.61 -4.23 0.74 -1.48 115.64 109.15 2bj3 s THR 57 Ca 0.00 -0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 59.57 2bj3 s THR 57 Cb 0.00 -0.40 0.01 0.00 1.34 0.00 0.00 72.50 73.46 2bj3 s THR 57 CO 0.00 -0.50 -0.05 -0.63 -0.54 0.00 0.00 174.62 172.90 2bj3 s ILE 58 N -1.62 3.10 -0.25 2.99 1.01 -0.11 -0.86 121.20 125.46 2bj3 s ILE 58 Ca -0.14 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 2bj3 s ILE 58 Cb -0.08 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 2bj3 s ILE 58 CO -0.01 0.28 0.07 -0.89 0.00 0.00 0.00 174.94 174.39 2bj3 s THR 59 N 1.39 4.30 0.19 2.92 2.01 0.16 -0.03 115.64 126.58 2bj3 s THR 59 Ca 0.03 -0.17 0.11 0.00 0.31 0.00 0.00 61.69 61.96 2bj3 s THR 59 Cb -0.16 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2bj3 s THR 59 CO -0.04 0.34 -0.23 0.27 -0.69 0.00 0.00 174.62 174.28 2bj3 s ILE 60 N 1.60 2.23 -0.13 1.82 -4.36 0.85 -0.61 121.20 122.60 2bj3 s ILE 60 Ca 0.06 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.46 2bj3 s ILE 60 Cb -0.15 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.52 2bj3 s ILE 60 CO 0.04 -0.17 -0.17 -0.69 0.24 0.00 0.00 174.94 174.18 2bj3 s VAL 61 N -1.77 1.71 0.12 8.37 1.01 -0.74 -0.21 120.40 128.89 2bj3 s VAL 61 Ca 0.20 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2bj3 s VAL 61 Cb -0.07 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2bj3 s VAL 61 CO 0.09 0.48 0.20 -0.72 0.00 0.00 0.00 175.10 175.16 2bj3 s TYR 62 N 1.06 0.31 -0.48 5.22 -0.85 -0.27 -0.88 117.35 121.47 2bj3 s TYR 62 Ca -0.03 -0.72 -0.16 0.00 -0.52 0.00 0.00 57.07 55.64 2bj3 s TYR 62 Cb -0.14 -0.11 0.07 0.00 0.38 0.00 0.00 41.96 42.16 2bj3 s TYR 62 CO -0.04 -0.60 0.42 1.21 -1.52 0.00 0.00 175.55 175.02 2bj3 s ASN 63 N -2.92 6.16 0.00 -0.18 2.47 -0.73 -1.03 114.94 118.71 2bj3 s ASN 63 Ca 0.11 -1.27 0.15 0.00 0.42 0.00 0.00 52.86 52.26 2bj3 s ASN 63 Cb 0.05 -2.20 0.72 0.00 -1.45 0.00 0.00 41.25 38.37 2bj3 s ASN 63 CO -0.06 -0.67 1.41 0.00 -3.72 0.00 0.00 177.10 174.06 2bj3 n HIS 64 N 5.32 0.00 0.85 0.43 1.44 -0.92 -1.94 115.22 120.39 2bj3 n HIS 64 Ca -0.12 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.71 2bj3 n HIS 64 Cb 0.44 -0.32 0.22 0.00 0.12 0.00 0.00 29.99 30.45 2bj3 n HIS 64 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2bj3 n ASP 65 N -1.32 0.55 -4.57 4.39 8.00 -1.26 -4.75 116.55 117.59 2bj3 n ASP 65 Ca 0.06 -0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.02 2bj3 n ASP 65 Cb 0.12 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 2bj3 n ASP 65 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2bj3 s GLU 66 N -3.06 3.54 4.00 -1.24 2.12 -0.82 -4.91 118.70 118.33 2bj3 s GLU 66 Ca 0.09 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.64 2bj3 s GLU 66 Cb 0.16 -3.98 0.00 0.00 0.26 0.00 0.00 34.13 30.57 2bj3 s GLU 66 CO 0.71 -1.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.34 2bj3 n GLY 67 N 5.00 2.40 2.23 -1.50 0.00 -1.26 -2.79 105.19 109.27 2bj3 n GLY 67 Ca 0.08 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 2bj3 n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bj3 n ASP 68 N -0.05 5.79 0.05 1.61 4.64 -1.26 -4.77 116.55 122.56 2bj3 n ASP 68 Ca 0.00 -3.76 0.16 0.00 -1.38 0.00 0.00 54.79 49.81 2bj3 n ASP 68 Cb 0.00 -0.57 0.65 0.00 -1.04 0.00 0.00 41.12 40.16 2bj3 n ASP 68 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 2bj3 h VAL 69 N 1.93 0.82 -0.13 5.18 3.04 -1.78 -0.47 116.25 124.83 2bj3 h VAL 69 Ca 0.43 -0.02 -0.04 0.00 -1.01 0.00 0.00 66.70 66.06 2bj3 h VAL 69 Cb 1.16 0.76 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2bj3 h VAL 69 CO 1.03 0.01 -0.08 0.58 -1.01 0.00 0.00 177.57 178.10 2bj3 h VAL 70 N 0.05 1.33 -0.13 1.51 2.07 -1.86 -0.18 116.25 119.04 2bj3 h VAL 70 Ca 0.20 -1.16 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 2bj3 h VAL 70 Cb 0.71 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2bj3 h VAL 70 CO -0.01 0.33 -0.37 0.50 0.02 0.00 0.00 177.57 178.04 2bj3 h LYS 71 N -0.07 0.28 -0.24 1.57 3.11 -1.75 -0.49 116.57 118.98 2bj3 h LYS 71 Ca 0.03 -0.12 -0.07 0.00 -2.81 0.00 0.00 60.65 57.68 2bj3 h LYS 71 Cb 0.57 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 2bj3 h LYS 71 CO 0.02 0.61 -0.12 0.00 -2.81 0.00 0.00 179.45 177.16 2bj3 h ALA 72 N 1.38 0.33 0.32 5.00 0.00 -1.03 -0.68 119.26 124.59 2bj3 h ALA 72 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2bj3 h ALA 72 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2bj3 h ALA 72 CO 0.06 0.19 -0.16 -0.07 0.00 0.00 0.00 179.25 179.27 2bj3 h LEU 73 N 0.21 -0.37 -1.15 0.00 3.38 -0.85 -1.58 115.31 114.96 2bj3 h LEU 73 Ca 0.05 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2bj3 h LEU 73 Cb 0.62 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 2bj3 h LEU 73 CO 0.03 -0.23 0.58 -0.07 0.09 0.00 0.00 178.44 178.85 2bj3 h LEU 74 N -0.48 0.91 -0.41 1.67 3.38 -1.10 -0.29 115.31 118.99 2bj3 h LEU 74 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2bj3 h LEU 74 Cb 0.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2bj3 h LEU 74 CO 0.07 0.59 -0.05 0.44 0.09 0.00 0.00 178.44 179.58 2bj3 h ASP 75 N 1.04 0.76 -0.20 -0.43 3.45 -0.91 0.43 116.42 120.55 2bj3 h ASP 75 Ca 0.38 -0.34 -0.10 0.00 0.43 0.00 0.00 57.03 57.40 2bj3 h ASP 75 Cb 0.17 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 2bj3 h ASP 75 CO -0.14 0.92 -0.21 0.25 -1.57 0.00 0.00 179.24 178.49 2bj3 h LEU 76 N 0.59 0.65 -0.49 1.55 5.85 -0.78 -1.11 115.31 121.57 2bj3 h LEU 76 Ca 0.11 -0.22 -0.16 0.00 0.84 0.00 0.00 57.88 58.45 2bj3 h LEU 76 Cb 0.56 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2bj3 h LEU 76 CO 0.03 0.86 -0.52 1.56 -0.34 0.00 0.00 178.44 180.02 2bj3 h GLN 77 N 0.57 0.62 -0.39 1.25 4.20 -0.92 -2.80 115.11 117.65 2bj3 h GLN 77 Ca 0.09 -0.38 -0.08 0.00 0.06 0.00 0.00 58.65 58.34 2bj3 h GLN 77 Cb 0.67 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 2bj3 h GLN 77 CO 0.05 0.99 -0.07 1.25 -0.67 0.00 0.00 178.83 180.38 2bj3 h HIS 78 N 0.49 0.71 -0.78 2.96 2.76 -0.58 -2.01 115.15 118.69 2bj3 h HIS 78 Ca 0.02 -0.11 -0.05 0.00 -2.20 0.00 0.00 60.37 58.03 2bj3 h HIS 78 Cb 1.08 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 2bj3 h HIS 78 CO 0.05 0.71 0.28 1.49 -1.30 0.00 0.00 177.93 179.17 2bj3 h GLU 79 N 0.61 1.19 -0.84 5.26 4.81 -1.07 -3.02 114.58 121.53 2bj3 h GLU 79 Ca 0.11 -0.23 -0.54 0.00 -0.13 0.00 0.00 59.36 58.57 2bj3 h GLU 79 Cb 0.49 -0.18 -0.29 0.00 0.63 0.00 0.00 28.75 29.39 2bj3 h GLU 79 CO 0.03 0.98 0.31 0.66 -0.73 0.00 0.00 179.01 180.25 2bj3 n TYR 80 N -4.26 2.74 0.12 0.92 4.02 -1.02 -4.72 117.16 114.96 2bj3 n TYR 80 Ca 0.07 -2.42 0.01 0.00 -0.01 0.00 0.00 57.90 55.55 2bj3 n TYR 80 Cb 0.21 -0.97 0.07 0.00 -0.02 0.00 0.00 39.34 38.63 2bj3 n TYR 80 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 2bj3 n LEU 81 N -0.95 0.00 0.06 7.72 -0.00 -0.79 -1.17 117.00 121.87 2bj3 n LEU 81 Ca 0.53 0.35 -0.07 0.00 -0.00 0.00 0.00 56.01 56.83 2bj3 n LEU 81 Cb 0.96 -0.35 -0.11 0.00 -0.00 0.00 0.00 43.42 43.92 2bj3 n LEU 81 CO 0.58 -0.32 0.15 0.44 -0.00 0.00 0.00 177.39 178.24 2bj3 h ASP 82 N 0.00 0.00 0.16 1.45 3.45 -1.87 -3.32 116.42 116.29 2bj3 h ASP 82 Ca 0.00 -0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 2bj3 h ASP 82 Cb 0.03 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 2bj3 h ASP 82 CO 0.00 0.99 -1.88 -1.84 -1.57 0.00 0.00 179.24 174.94 2bj3 n GLU 83 N -3.36 0.65 -2.92 3.56 0.00 -0.32 -4.84 120.64 113.41 2bj3 n GLU 83 Ca -0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 57.16 56.60 2bj3 n GLU 83 Cb 0.93 -1.57 -0.04 0.00 0.00 0.00 0.00 31.44 30.76 2bj3 n GLU 83 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2bj3 s ILE 84 N -3.40 4.47 -0.06 3.84 -1.09 -0.87 -0.80 121.20 123.28 2bj3 s ILE 84 Ca -0.07 -0.27 -0.26 0.00 -2.23 0.00 0.00 60.65 57.82 2bj3 s ILE 84 Cb 0.13 -4.57 -0.23 0.00 -1.58 0.00 0.00 42.46 36.20 2bj3 s ILE 84 CO 0.88 -1.24 1.03 0.40 -1.23 0.00 0.00 174.94 174.78 2bj3 h ILE 85 N 5.96 1.57 -2.81 2.92 2.04 -1.02 -3.45 117.51 122.72 2bj3 h ILE 85 Ca -0.28 -1.86 0.02 0.00 1.00 0.00 0.00 64.86 63.74 2bj3 h ILE 85 Cb 1.08 2.77 -0.13 0.00 -0.74 0.00 0.00 36.82 39.80 2bj3 h ILE 85 CO 1.12 0.50 0.28 -0.44 0.00 0.00 0.00 178.15 179.61 2bj3 s SER 86 N -6.16 -0.51 0.01 1.72 0.01 -1.21 -5.02 113.70 102.54 2bj3 s SER 86 Ca -0.17 -0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.10 2bj3 s SER 86 Cb 0.00 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.77 2bj3 s SER 86 CO 0.72 -0.89 -0.07 -0.44 0.41 0.00 0.00 173.24 172.96 2bj3 s SER 87 N -2.69 0.86 -0.11 2.44 0.01 -1.26 -0.26 113.70 112.69 2bj3 s SER 87 Ca 0.02 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.04 2bj3 s SER 87 Cb -0.01 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 2bj3 s SER 87 CO -0.11 0.00 -0.13 -0.76 0.41 0.00 0.00 173.24 172.64 2bj3 s LEU 88 N -0.60 2.72 -0.27 2.44 1.43 -0.30 -4.95 118.68 119.15 2bj3 s LEU 88 Ca -0.01 -0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2bj3 s LEU 88 Cb -0.05 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 2bj3 s LEU 88 CO 0.00 0.22 0.06 -1.00 0.23 0.00 0.00 176.35 175.86 2bj3 s HIS 89 N 0.03 3.10 -0.21 0.29 3.76 -1.26 -1.21 115.29 119.79 2bj3 s HIS 89 Ca -0.04 -0.79 -0.02 0.00 -0.15 0.00 0.00 55.06 54.05 2bj3 s HIS 89 Cb -0.14 -2.23 -0.00 0.00 1.11 0.00 0.00 32.58 31.31 2bj3 s HIS 89 CO 0.04 -0.50 -0.09 0.08 -0.85 0.00 0.00 174.74 173.42 2bj3 s VAL 90 N 1.54 3.01 0.08 -0.90 1.01 0.16 -4.98 120.40 120.31 2bj3 s VAL 90 Ca 0.04 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 2bj3 s VAL 90 Cb -0.16 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 2bj3 s VAL 90 CO 0.02 0.46 1.10 -2.28 0.00 0.00 0.00 175.10 174.40 2bj3 s HIS 91 N 1.42 3.56 -0.18 5.22 5.65 -1.26 -0.18 115.29 129.52 2bj3 s HIS 91 Ca 0.05 1.51 -0.14 0.00 0.25 0.00 0.00 55.06 56.73 2bj3 s HIS 91 Cb -0.14 -3.29 -0.07 0.00 -1.18 0.00 0.00 32.58 27.90 2bj3 s HIS 91 CO -0.06 -0.70 -0.29 -1.33 -0.65 0.00 0.00 174.74 171.71 2bj3 n MET 92 N 3.47 0.46 -2.58 2.88 2.81 -0.66 -4.91 117.12 118.59 2bj3 n MET 92 Ca 0.06 0.19 -0.06 0.00 -1.81 0.00 0.00 57.70 56.09 2bj3 n MET 92 Cb 0.48 -1.29 -0.00 0.00 -0.71 0.00 0.00 33.22 31.69 2bj3 n MET 92 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2bj3 n ASP 93 N -4.19 -0.84 0.19 7.83 5.68 -0.78 -4.98 116.55 119.46 2bj3 n ASP 93 Ca -0.27 -1.86 0.18 0.00 -0.50 0.00 0.00 54.79 52.34 2bj3 n ASP 93 Cb 0.60 1.49 0.82 0.00 -1.14 0.00 0.00 41.12 42.89 2bj3 n ASP 93 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2bj3 h GLU 94 N 0.00 0.00 0.00 0.11 4.81 -2.03 -3.21 114.58 114.26 2bj3 h GLU 94 Ca -0.14 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.86 2bj3 h GLU 94 Cb 0.59 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 2bj3 h GLU 94 CO 0.19 0.00 -1.79 0.72 -0.73 0.00 0.00 179.01 177.40 2bj3 n HIS 95 N -3.72 0.00 -2.63 0.92 8.25 -1.26 -4.90 115.22 111.88 2bj3 n HIS 95 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 2bj3 n HIS 95 Cb 0.38 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 2bj3 n HIS 95 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2bj3 s ASN 96 N -5.95 7.28 -0.01 0.41 -0.87 -1.21 -2.17 114.94 112.41 2bj3 s ASN 96 Ca -0.19 1.74 0.04 0.00 -1.57 0.00 0.00 52.86 52.87 2bj3 s ASN 96 Cb 0.07 -2.57 -0.01 0.00 -0.02 0.00 0.00 41.25 38.72 2bj3 s ASN 96 CO 0.27 -0.34 -0.12 0.00 -2.57 0.00 0.00 177.10 174.34 2bj3 s LEU 98 N -0.24 2.66 0.01 0.00 0.20 0.75 -1.11 118.68 120.94 2bj3 s LEU 98 Ca 0.04 -0.38 0.08 0.00 0.69 0.00 0.00 54.13 54.55 2bj3 s LEU 98 Cb -0.05 -1.61 -0.02 0.00 -0.43 0.00 0.00 46.19 44.08 2bj3 s LEU 98 CO -0.00 0.12 -0.23 -0.70 -0.29 0.00 0.00 176.35 175.24 2bj3 s GLU 99 N 0.64 1.75 -0.15 1.98 2.12 0.70 0.36 118.70 126.11 2bj3 s GLU 99 Ca -0.07 -0.91 0.02 0.00 0.36 0.00 0.00 54.97 54.37 2bj3 s GLU 99 Cb -0.15 -1.78 0.01 0.00 0.26 0.00 0.00 34.13 32.47 2bj3 s GLU 99 CO 0.03 0.48 -0.21 0.08 -0.54 0.00 0.00 175.26 175.09 2bj3 s VAL 100 N -0.65 2.04 -0.22 3.70 1.01 -0.35 -0.10 120.40 125.82 2bj3 s VAL 100 Ca 0.09 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 2bj3 s VAL 100 Cb -0.09 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2bj3 s VAL 100 CO 0.00 0.54 0.01 -0.63 0.00 0.00 0.00 175.10 175.03 2bj3 s ILE 101 N 0.91 3.86 -0.17 2.22 1.01 0.95 -1.14 121.20 128.84 2bj3 s ILE 101 Ca -0.05 -0.33 -0.22 0.00 0.00 0.00 0.00 60.65 60.05 2bj3 s ILE 101 Cb -0.15 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 2bj3 s ILE 101 CO -0.04 0.40 0.69 -0.69 0.00 0.00 0.00 174.94 175.30 2bj3 s VAL 102 N 1.37 4.99 0.17 2.92 1.01 0.64 -0.94 120.40 130.57 2bj3 s VAL 102 Ca 0.05 1.35 0.03 0.00 0.00 0.00 0.00 61.98 63.41 2bj3 s VAL 102 Cb -0.15 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 2bj3 s VAL 102 CO 0.01 0.12 -0.04 0.68 0.00 0.00 0.00 175.10 175.86 2bj3 s VAL 103 N 1.76 0.95 -0.19 2.92 -7.23 -0.55 -0.42 120.40 117.64 2bj3 s VAL 103 Ca 0.33 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 2bj3 s VAL 103 Cb -0.16 -2.04 0.06 0.00 0.56 0.00 0.00 36.38 34.79 2bj3 s VAL 103 CO 0.12 -0.57 0.46 -0.75 -0.31 0.00 0.00 175.10 174.06 2bj3 s LYS 104 N -3.83 0.47 0.00 4.82 2.20 0.02 -1.58 119.74 121.83 2bj3 s LYS 104 Ca 0.21 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 2bj3 s LYS 104 Cb 0.05 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 2bj3 s LYS 104 CO 0.03 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2bj3 n GLY 105 N 4.06 -2.41 3.73 5.54 0.00 0.48 -4.38 105.19 112.21 2bj3 n GLY 105 Ca -0.21 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 2bj3 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bj3 s GLU 106 N -1.94 4.19 0.28 1.61 0.41 -1.26 -0.15 118.70 121.85 2bj3 s GLU 106 Ca 0.00 2.44 0.00 0.00 -0.41 0.00 0.00 54.97 57.00 2bj3 s GLU 106 Cb 0.00 -3.10 0.67 0.00 -1.78 0.00 0.00 34.13 29.91 2bj3 s GLU 106 CO 0.00 -0.59 1.63 0.00 -0.49 0.00 0.00 175.26 175.81 2bj3 h ALA 107 N 5.95 1.16 -0.39 5.21 0.00 -0.59 0.19 119.26 130.78 2bj3 h ALA 107 Ca -0.44 0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2bj3 h ALA 107 Cb 1.21 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 2bj3 h ALA 107 CO 0.86 -0.48 0.14 0.87 0.00 0.00 0.00 179.25 180.64 2bj3 h LYS 108 N 0.14 0.29 -0.61 0.00 1.57 -1.84 -0.20 116.57 115.93 2bj3 h LYS 108 Ca 0.53 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 59.20 2bj3 h LYS 108 Cb 1.06 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 2bj3 h LYS 108 CO -0.71 0.19 0.00 -0.22 -0.57 0.00 0.00 179.45 178.15 2bj3 h LYS 109 N 0.30 1.08 -0.63 3.15 3.64 -1.36 -2.24 116.57 120.51 2bj3 h LYS 109 Ca 0.18 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2bj3 h LYS 109 Cb 0.15 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2bj3 h LYS 109 CO -0.18 1.05 0.34 0.82 -2.27 0.00 0.00 179.45 179.21 2bj3 h ILE 110 N 0.98 1.21 -0.66 2.00 1.08 -0.80 -1.23 117.51 120.09 2bj3 h ILE 110 Ca 0.17 -0.53 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 2bj3 h ILE 110 Cb 0.56 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 2bj3 h ILE 110 CO 0.03 0.23 0.41 0.11 -0.69 0.00 0.00 178.15 178.23 2bj3 h LYS 111 N 0.86 0.76 -0.17 2.37 1.57 -0.86 -0.82 116.57 120.29 2bj3 h LYS 111 Ca 0.22 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2bj3 h LYS 111 Cb 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2bj3 h LYS 111 CO -0.03 0.50 0.02 1.98 -0.57 0.00 0.00 179.45 181.35 2bj3 h MET 112 N 0.79 0.07 -0.33 3.15 4.05 -0.81 -0.81 114.93 121.04 2bj3 h MET 112 Ca 0.27 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.69 2bj3 h MET 112 Cb 0.05 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 2bj3 h MET 112 CO -0.12 0.05 0.20 0.82 0.23 0.00 0.00 176.91 178.09 2bj3 h ILE 113 N 0.08 1.11 -0.83 1.77 2.04 -0.85 -2.15 117.51 118.67 2bj3 h ILE 113 Ca 0.08 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2bj3 h ILE 113 Cb 0.08 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2bj3 h ILE 113 CO -0.12 0.11 0.46 0.00 0.00 0.00 0.00 178.15 178.60 2bj3 h ALA 114 N 1.09 1.06 -0.29 1.87 0.00 -0.94 -0.66 119.26 121.39 2bj3 h ALA 114 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bj3 h ALA 114 Cb -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2bj3 h ALA 114 CO -0.02 0.57 0.20 -0.44 0.00 0.00 0.00 179.25 179.55 2bj3 h ASP 115 N 1.16 0.34 0.50 0.00 3.32 -0.97 -0.22 116.42 120.55 2bj3 h ASP 115 Ca 0.29 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 2bj3 h ASP 115 Cb 0.03 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 2bj3 h ASP 115 CO -0.05 0.24 -0.30 0.11 -1.72 0.00 0.00 179.24 177.53 2bj3 h LYS 116 N 0.40 -0.74 -0.32 3.56 1.57 -0.82 0.26 116.57 120.49 2bj3 h LYS 116 Ca 0.11 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 2bj3 h LYS 116 Cb -0.05 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 2bj3 h LYS 116 CO -0.02 -0.49 -0.23 -0.07 -0.57 0.00 0.00 179.45 178.06 2bj3 h LEU 117 N -0.76 -0.77 -1.81 2.94 3.38 -0.96 0.58 115.31 117.91 2bj3 h LEU 117 Ca -0.06 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2bj3 h LEU 117 Cb 0.62 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2bj3 h LEU 117 CO 0.07 -0.26 -0.15 -0.07 0.09 0.00 0.00 178.44 178.11 2bj3 h LEU 118 N -0.20 0.00 -0.97 1.67 3.38 -0.94 -2.05 115.31 116.20 2bj3 h LEU 118 Ca 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2bj3 h LEU 118 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2bj3 h LEU 118 CO -0.44 0.15 -0.29 0.28 0.09 0.00 0.00 178.44 178.23 2bj3 h SER 119 N 0.00 0.00 -3.70 -0.43 0.02 0.13 -3.46 113.55 106.11 2bj3 h SER 119 Ca -0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2bj3 h SER 119 Cb 0.34 0.00 0.16 0.00 0.14 0.00 0.00 62.40 63.04 2bj3 h SER 119 CO 0.02 0.29 0.23 0.18 -1.14 0.00 0.00 176.83 176.41 2bj3 n LEU 120 N -3.43 4.27 -4.81 5.07 4.77 -0.71 -4.95 117.00 117.21 2bj3 n LEU 120 Ca 0.00 0.82 -0.38 0.00 -0.03 0.00 0.00 56.01 56.42 2bj3 n LEU 120 Cb 0.48 -1.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.07 2bj3 n LEU 120 CO 0.35 -1.60 0.29 -0.54 -1.33 0.00 0.00 177.39 174.56 2bj3 s LYS 121 N -2.88 4.22 0.00 3.23 -0.14 -1.26 -3.51 119.74 119.39 2bj3 s LYS 121 Ca 0.77 0.76 0.00 0.00 -1.36 0.00 0.00 55.97 56.14 2bj3 s LYS 121 Cb -0.41 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 32.54 2bj3 s LYS 121 CO 0.46 0.61 0.00 0.41 -0.76 0.00 0.00 175.35 176.07 2bj3 n GLY 122 N 1.58 2.82 3.57 -3.33 0.00 -1.26 -4.65 105.19 103.91 2bj3 n GLY 122 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 2bj3 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bj3 s VAL 123 N -2.49 5.00 -0.12 1.61 1.01 -1.23 -1.78 120.40 122.41 2bj3 s VAL 123 Ca 0.00 0.49 -0.22 0.00 0.00 0.00 0.00 61.98 62.25 2bj3 s VAL 123 Cb 0.00 -3.96 -0.27 0.00 0.00 0.00 0.00 36.38 32.16 2bj3 s VAL 123 CO 0.00 -0.18 0.64 0.11 0.00 0.00 0.00 175.10 175.68 2bj3 h LYS 124 N 8.38 0.15 -4.24 2.72 1.57 -1.35 -3.48 116.57 120.33 2bj3 h LYS 124 Ca -0.28 -0.26 -0.14 0.00 -1.87 0.00 0.00 60.65 58.10 2bj3 h LYS 124 Cb 1.13 0.10 -0.15 0.00 0.08 0.00 0.00 32.23 33.39 2bj3 h LYS 124 CO 0.77 1.13 -0.61 -1.01 -0.57 0.00 0.00 179.45 179.16 2bj3 s HIS 125 N -2.38 0.61 -0.14 -1.35 3.76 -1.14 -5.00 115.29 109.64 2bj3 s HIS 125 Ca -0.19 -1.06 -0.22 0.00 -0.15 0.00 0.00 55.06 53.44 2bj3 s HIS 125 Cb 0.02 -0.37 0.05 0.00 1.11 0.00 0.00 32.58 33.40 2bj3 s HIS 125 CO 0.73 -0.48 0.56 0.20 -0.85 0.00 0.00 174.74 174.91 2bj3 s GLY 126 N -2.97 -0.42 -0.08 -2.22 0.00 -1.26 -1.79 107.32 98.58 2bj3 s GLY 126 Ca 0.14 1.35 -0.09 0.00 0.00 0.00 0.00 44.72 46.12 2bj3 s GLY 126 CO -0.05 1.10 0.25 1.25 0.00 0.00 0.00 173.10 175.64 2bj3 s LYS 127 N -0.31 0.35 -0.03 2.90 2.20 0.22 -4.96 119.74 120.11 2bj3 s LYS 127 Ca -0.05 0.23 0.06 0.00 -0.36 0.00 0.00 55.97 55.85 2bj3 s LYS 127 Cb -0.03 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 2bj3 s LYS 127 CO 0.04 -0.06 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.24 2bj3 s LEU 128 N -0.15 2.31 -0.25 5.43 1.02 -1.26 0.37 118.68 126.15 2bj3 s LEU 128 Ca -0.03 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 53.77 2bj3 s LEU 128 Cb -0.03 -1.42 0.06 0.00 0.02 0.00 0.00 46.19 44.82 2bj3 s LEU 128 CO 0.01 0.32 -0.07 -0.69 0.02 0.00 0.00 176.35 175.95 2bj3 s VAL 129 N -0.62 1.79 0.08 -1.59 1.01 -0.04 -4.99 120.40 116.04 2bj3 s VAL 129 Ca 0.09 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.66 2bj3 s VAL 129 Cb -0.11 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2bj3 s VAL 129 CO -0.00 -0.11 -0.07 -0.04 0.00 0.00 0.00 175.10 174.87 2bj3 s MET 130 N 1.27 0.72 -0.08 2.72 -1.94 -1.26 -0.19 119.30 120.54 2bj3 s MET 130 Ca -0.06 -1.11 -0.28 0.00 -1.71 0.00 0.00 55.69 52.54 2bj3 s MET 130 Cb -0.19 -0.26 0.06 0.00 2.01 0.00 0.00 34.83 36.45 2bj3 s MET 130 CO -0.06 0.01 0.63 -0.08 -0.01 0.00 0.00 175.02 175.51 2bj3 s THR 131 N -2.70 0.01 0.43 2.05 -1.32 -0.97 -4.75 115.64 108.37 2bj3 s THR 131 Ca 0.03 -0.06 -0.24 0.00 -1.21 0.00 0.00 61.69 60.21 2bj3 s THR 131 Cb -0.01 -0.94 -0.08 0.00 -1.51 0.00 0.00 72.50 69.96 2bj3 s THR 131 CO -0.03 -0.03 1.14 -0.94 -2.21 0.00 0.00 174.62 172.55 2bj3 s SER 132 N -0.97 6.41 0.23 8.08 1.04 -1.26 -1.59 113.70 125.64 2bj3 s SER 132 Ca -0.10 2.26 -0.19 0.00 0.48 0.00 0.00 55.95 58.41 2bj3 s SER 132 Cb -0.01 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.42 2bj3 s SER 132 CO 0.08 -0.75 0.72 0.42 0.98 0.00 0.00 173.24 174.70 2bj3 s THR 133 N -1.52 4.58 0.00 2.02 -4.23 -0.53 -4.87 115.64 111.09 2bj3 s THR 133 Ca 0.60 1.24 0.00 0.00 -1.18 0.00 0.00 61.69 62.35 2bj3 s THR 133 Cb -0.28 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.74 2bj3 s THR 133 CO 0.34 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.19 2bj3 n GLY 134 N 0.59 -1.53 0.90 3.99 0.00 -1.26 -4.89 105.19 102.99 2bj3 n GLY 134 Ca -0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2bj3 n GLY 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bj3 n LYS 135 N -1.89 0.00 0.00 1.61 0.00 -1.26 -5.19 118.16 111.43 2bj3 n LYS 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2bj3 n LYS 135 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2bj3 n LYS 135 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49