#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bj3 n GLU 2 N 0.00 0.00 -2.33 2.12 2.13 -1.26 -5.13 120.64 116.17 2bj3 n GLU 2 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 2bj3 n GLU 2 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2bj3 n GLU 2 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2bj3 s LEU 3 N 0.00 4.06 -0.15 4.31 1.43 -1.26 -5.00 118.68 122.07 2bj3 s LEU 3 Ca 0.00 1.59 -0.07 0.00 -1.03 0.00 0.00 54.13 54.62 2bj3 s LEU 3 Cb 0.00 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2bj3 s LEU 3 CO 0.00 -0.95 0.11 -0.63 0.23 0.00 0.00 176.35 175.11 2bj3 s ILE 4 N 4.09 5.27 -0.03 -0.59 1.01 -1.26 -5.10 121.20 124.59 2bj3 s ILE 4 Ca 0.60 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.35 2bj3 s ILE 4 Cb -0.22 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2bj3 s ILE 4 CO 0.21 0.54 0.14 -0.60 0.00 0.00 0.00 174.94 175.23 2bj3 s ARG 5 N -0.42 3.31 0.07 2.79 3.52 -1.26 -5.10 118.95 121.85 2bj3 s ARG 5 Ca 0.11 -0.33 -0.25 0.00 -0.13 0.00 0.00 55.73 55.13 2bj3 s ARG 5 Cb -0.12 -3.03 0.06 0.00 -1.56 0.00 0.00 34.95 30.31 2bj3 s ARG 5 CO 0.02 0.69 0.59 -0.59 -0.81 0.00 0.00 175.30 175.20 2bj3 s PHE 6 N -1.20 -0.53 0.59 5.12 -0.12 -1.26 -5.17 117.98 115.41 2bj3 s PHE 6 Ca 0.23 0.58 -0.10 0.00 -0.05 0.00 0.00 56.93 57.58 2bj3 s PHE 6 Cb -0.12 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 2bj3 s PHE 6 CO 0.13 -0.72 0.99 0.45 -0.05 0.00 0.00 175.22 176.02 2bj3 s SER 7 N -2.10 6.26 -0.02 1.98 0.15 -1.26 -5.09 113.70 113.62 2bj3 s SER 7 Ca -0.04 1.35 -0.11 0.00 0.70 0.00 0.00 55.95 57.85 2bj3 s SER 7 Cb -0.01 -2.44 0.01 0.00 -1.71 0.00 0.00 66.02 61.88 2bj3 s SER 7 CO -0.03 -0.80 0.23 -0.63 1.20 0.00 0.00 173.24 173.21 2bj3 s ILE 8 N -3.07 0.06 -0.16 6.45 1.01 -1.26 -5.14 121.20 119.09 2bj3 s ILE 8 Ca 0.54 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2bj3 s ILE 8 Cb -0.11 -0.49 0.02 0.00 0.01 0.00 0.00 42.46 41.89 2bj3 s ILE 8 CO 0.51 -0.25 -0.15 -0.44 0.00 0.00 0.00 174.94 174.61 2bj3 s SER 9 N -1.04 2.79 0.01 3.58 0.01 -1.26 -5.11 113.70 112.68 2bj3 s SER 9 Ca -0.11 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 56.64 2bj3 s SER 9 Cb -0.05 -1.24 -0.01 0.00 0.21 0.00 0.00 66.02 64.92 2bj3 s SER 9 CO 0.02 -0.05 -0.08 -0.63 0.41 0.00 0.00 173.24 172.92 2bj3 s ILE 10 N 1.45 0.59 0.36 1.44 1.01 -1.26 -5.12 121.20 119.67 2bj3 s ILE 10 Ca 0.05 -0.55 -0.28 0.00 0.00 0.00 0.00 60.65 59.87 2bj3 s ILE 10 Cb -0.13 -0.54 -0.11 0.00 0.01 0.00 0.00 42.46 41.69 2bj3 s ILE 10 CO -0.11 0.01 1.51 -2.84 0.00 0.00 0.00 174.94 173.51 2bj3 s PRO 11 N -0.59 4.12 0.14 2.79 0.02 -1.26 -4.83 135.00 135.38 2bj3 s PRO 11 Ca -0.00 2.57 -0.21 0.00 0.02 0.00 0.00 61.00 63.38 2bj3 s PRO 11 Cb -0.05 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.51 2bj3 s PRO 11 CO 0.00 -0.55 1.66 1.03 -0.33 0.00 0.00 177.00 178.81 2bj3 h SER 12 N 3.40 -0.48 -0.93 2.53 0.87 -1.99 0.05 113.55 117.00 2bj3 h SER 12 Ca -0.50 0.10 0.09 0.00 -1.23 0.00 0.00 61.79 60.25 2bj3 h SER 12 Cb 1.23 0.25 -0.07 0.00 -0.44 0.00 0.00 62.40 63.38 2bj3 h SER 12 CO 0.67 -0.19 0.60 0.11 -0.53 0.00 0.00 176.83 177.49 2bj3 h LYS 13 N -0.14 0.94 -0.07 2.24 6.56 -2.00 0.29 116.57 124.39 2bj3 h LYS 13 Ca 0.13 -0.06 -0.19 0.00 -1.06 0.00 0.00 60.65 59.47 2bj3 h LYS 13 Cb 0.33 -0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 31.77 2bj3 h LYS 13 CO -0.31 0.62 -0.76 1.25 -2.06 0.00 0.00 179.45 178.19 2bj3 h LEU 14 N 0.97 0.50 -0.57 2.94 5.85 -1.78 -2.95 115.31 120.26 2bj3 h LEU 14 Ca 0.43 -0.34 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 2bj3 h LEU 14 Cb 0.36 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2bj3 h LEU 14 CO -0.19 1.09 -0.22 0.25 -0.34 0.00 0.00 178.44 179.03 2bj3 h LEU 15 N 0.28 0.93 0.36 2.25 5.85 0.77 -1.91 115.31 123.83 2bj3 h LEU 15 Ca -0.04 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 2bj3 h LEU 15 Cb 1.35 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2bj3 h LEU 15 CO 0.13 1.11 -0.17 -0.33 -0.34 0.00 0.00 178.44 178.84 2bj3 h GLU 16 N 0.78 -0.46 -0.33 1.25 3.07 -0.49 0.54 114.58 118.94 2bj3 h GLU 16 Ca 0.10 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2bj3 h GLU 16 Cb 0.78 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.77 2bj3 h GLU 16 CO 0.06 -0.27 0.20 -0.22 -1.40 0.00 0.00 179.01 177.38 2bj3 h LYS 17 N -0.55 0.44 0.10 2.33 1.63 -1.54 -1.47 116.57 117.53 2bj3 h LYS 17 Ca -0.05 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 2bj3 h LYS 17 Cb 0.41 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2bj3 h LYS 17 CO 0.08 0.31 -0.05 0.35 -3.45 0.00 0.00 179.45 176.69 2bj3 h PHE 18 N 0.45 -0.13 -0.73 1.91 3.57 -0.89 -2.80 116.94 118.32 2bj3 h PHE 18 Ca 0.12 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.69 2bj3 h PHE 18 Cb -0.02 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 2bj3 h PHE 18 CO 0.00 0.20 0.41 -0.44 -2.23 0.00 0.00 178.31 176.25 2bj3 h ASP 19 N -0.47 0.60 -0.89 0.41 3.32 -0.43 -1.80 116.42 117.16 2bj3 h ASP 19 Ca -0.01 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.08 2bj3 h ASP 19 Cb 0.39 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 2bj3 h ASP 19 CO 0.02 0.37 0.59 -0.61 -1.72 0.00 0.00 179.24 177.89 2bj3 h GLN 20 N 0.73 1.16 -0.00 3.56 4.15 -1.27 -1.36 115.11 122.09 2bj3 h GLN 20 Ca 0.34 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.65 2bj3 h GLN 20 Cb 0.25 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.68 2bj3 h GLN 20 CO -0.21 0.77 -0.13 0.82 -1.93 0.00 0.00 178.83 178.15 2bj3 h ILE 21 N 1.20 1.58 0.00 2.39 2.04 -1.12 -2.43 117.51 121.17 2bj3 h ILE 21 Ca 0.33 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 2bj3 h ILE 21 Cb -0.12 2.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2bj3 h ILE 21 CO -0.07 0.51 -0.03 0.16 0.00 0.00 0.00 178.15 178.71 2bj3 h ILE 22 N -0.63 0.32 0.73 -0.67 3.07 -1.34 0.24 117.51 119.23 2bj3 h ILE 22 Ca -0.02 -0.20 -0.04 0.00 1.55 0.00 0.00 64.86 66.16 2bj3 h ILE 22 Cb 0.90 1.15 0.01 0.00 -0.27 0.00 0.00 36.82 38.60 2bj3 h ILE 22 CO 0.03 0.03 -0.35 -0.08 -1.05 0.00 0.00 178.15 176.73 2bj3 h GLU 23 N 0.00 -0.94 -0.68 0.16 4.81 -1.20 0.42 114.58 117.14 2bj3 h GLU 23 Ca -0.00 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.38 2bj3 h GLU 23 Cb 0.14 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 2bj3 h GLU 23 CO 0.00 -0.63 0.45 1.49 -0.73 0.00 0.00 179.01 179.59 2bj3 h GLU 24 N -1.20 0.56 0.00 1.92 4.57 -0.75 -0.23 114.58 119.44 2bj3 h GLU 24 Ca -0.10 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.99 2bj3 h GLU 24 Cb 0.75 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 2bj3 h GLU 24 CO 0.16 0.37 -0.25 0.82 -1.18 0.00 0.00 179.01 178.93 2bj3 h ILE 25 N 0.57 0.51 -0.06 2.32 2.04 -0.49 -3.47 117.51 118.92 2bj3 h ILE 25 Ca 0.31 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.77 2bj3 h ILE 25 Cb 0.46 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 2bj3 h ILE 25 CO -0.10 0.25 0.00 0.61 0.00 0.00 0.00 178.15 178.91 2bj3 n GLY 26 N 0.65 1.38 3.76 5.37 0.00 -0.10 -5.07 105.19 111.19 2bj3 n GLY 26 Ca 0.01 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.06 3.96 0.12 1.61 1.51 0.13 -4.97 117.35 117.65 2bj3 s TYR 27 Ca 0.00 1.83 -0.29 0.00 -1.01 0.00 0.00 57.07 57.60 2bj3 s TYR 27 Cb 0.00 -2.92 -0.08 0.00 -0.11 0.00 0.00 41.96 38.85 2bj3 s TYR 27 CO 0.00 0.46 1.60 0.93 -1.11 0.00 0.00 175.55 177.43 2bj3 h GLU 28 N 4.29 -0.55 -3.16 -0.62 3.07 -1.97 -3.44 114.58 112.20 2bj3 h GLU 28 Ca -0.45 0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.42 2bj3 h GLU 28 Cb 1.20 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 29.21 2bj3 h GLU 28 CO 0.68 -0.37 0.19 0.54 -1.40 0.00 0.00 179.01 178.65 2bj3 s ASN 29 N -4.77 0.01 0.27 1.42 2.20 -1.26 -5.05 114.94 107.76 2bj3 s ASN 29 Ca -0.16 -1.01 -0.01 0.00 -0.94 0.00 0.00 52.86 50.74 2bj3 s ASN 29 Cb 0.08 0.78 0.50 0.00 -2.00 0.00 0.00 41.25 40.61 2bj3 s ASN 29 CO 0.64 -1.52 1.83 0.03 -2.94 0.00 0.00 177.10 175.14 2bj3 h ARG 30 N 2.03 0.90 -0.42 3.55 3.08 -2.00 -2.39 114.38 119.14 2bj3 h ARG 30 Ca -0.28 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.74 2bj3 h ARG 30 Cb 1.25 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 2bj3 h ARG 30 CO 0.35 0.60 0.25 0.77 -1.07 0.00 0.00 179.97 180.87 2bj3 h SER 31 N 0.93 0.40 -0.54 7.04 0.02 -1.98 0.18 113.55 119.61 2bj3 h SER 31 Ca 0.46 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.38 2bj3 h SER 31 Cb 0.44 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2bj3 h SER 31 CO -0.26 0.29 0.19 -0.33 -1.14 0.00 0.00 176.83 175.58 2bj3 h GLU 32 N 0.50 0.82 0.52 3.45 4.39 -1.87 -0.44 114.58 121.95 2bj3 h GLU 32 Ca 0.17 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 2bj3 h GLU 32 Cb 0.01 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2bj3 h GLU 32 CO -0.08 0.73 -0.25 0.00 -1.16 0.00 0.00 179.01 178.25 2bj3 h ALA 33 N 1.05 -0.70 -0.39 3.43 0.00 -1.04 -2.86 119.26 118.74 2bj3 h ALA 33 Ca 0.18 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2bj3 h ALA 33 Cb 0.24 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2bj3 h ALA 33 CO -0.01 -0.86 0.27 0.82 0.00 0.00 0.00 179.25 179.47 2bj3 h ILE 34 N -0.78 0.90 -0.59 0.00 2.04 -0.58 -1.60 117.51 116.91 2bj3 h ILE 34 Ca -0.07 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 2bj3 h ILE 34 Cb 0.57 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2bj3 h ILE 34 CO 0.12 0.04 0.07 -0.09 0.00 0.00 0.00 178.15 178.28 2bj3 h ARG 35 N 0.20 0.99 -0.35 2.37 2.43 -0.88 -1.59 114.38 117.54 2bj3 h ARG 35 Ca 0.18 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 2bj3 h ARG 35 Cb 0.45 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2bj3 h ARG 35 CO -0.03 0.95 0.03 -0.44 -1.51 0.00 0.00 179.97 178.97 2bj3 h ASP 36 N 0.88 0.58 -0.39 -3.80 3.32 -1.09 -0.23 116.42 115.70 2bj3 h ASP 36 Ca 0.17 -0.29 0.05 0.00 0.02 0.00 0.00 57.03 56.99 2bj3 h ASP 36 Cb 0.46 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 2bj3 h ASP 36 CO 0.02 0.72 0.13 -0.07 -1.72 0.00 0.00 179.24 178.32 2bj3 h LEU 37 N 0.42 0.13 -0.34 1.55 3.38 -1.30 -1.02 115.31 118.12 2bj3 h LEU 37 Ca 0.10 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2bj3 h LEU 37 Cb 0.41 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2bj3 h LEU 37 CO 0.01 0.11 0.21 0.40 0.09 0.00 0.00 178.44 179.26 2bj3 h ILE 38 N 0.28 1.12 -0.79 1.22 2.04 -1.07 -1.43 117.51 118.87 2bj3 h ILE 38 Ca 0.18 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 2bj3 h ILE 38 Cb 0.17 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2bj3 h ILE 38 CO -0.19 0.12 0.36 -0.09 0.00 0.00 0.00 178.15 178.35 2bj3 h ARG 39 N 0.45 1.15 -0.38 2.37 2.43 -0.67 -1.34 114.38 118.38 2bj3 h ARG 39 Ca 0.12 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 2bj3 h ARG 39 Cb 0.01 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2bj3 h ARG 39 CO -0.02 0.90 -0.26 -0.44 -1.51 0.00 0.00 179.97 178.64 2bj3 h ASP 40 N 1.13 0.81 -0.36 -3.80 3.32 -1.03 -0.59 116.42 115.89 2bj3 h ASP 40 Ca 0.27 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 57.03 2bj3 h ASP 40 Cb 0.14 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 2bj3 h ASP 40 CO -0.03 1.02 0.20 0.15 -1.72 0.00 0.00 179.24 178.86 2bj3 h PHE 41 N 0.67 0.36 -0.07 4.55 -0.00 -0.87 -1.90 116.94 119.69 2bj3 h PHE 41 Ca 0.09 0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 58.06 2bj3 h PHE 41 Cb 0.78 -0.11 -0.00 0.00 -0.00 0.00 0.00 35.95 36.62 2bj3 h PHE 41 CO 0.04 0.20 -0.01 0.82 -0.00 0.00 0.00 178.31 179.37 2bj3 h ILE 42 N 0.40 1.27 -0.61 1.41 2.04 -1.09 -2.29 117.51 118.63 2bj3 h ILE 42 Ca 0.15 -0.84 0.12 0.00 1.00 0.00 0.00 64.86 65.29 2bj3 h ILE 42 Cb 0.03 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 2bj3 h ILE 42 CO -0.08 0.23 0.42 0.40 0.00 0.00 0.00 178.15 179.11 2bj3 h ILE 43 N -0.18 0.83 0.16 -0.67 2.04 -0.89 -0.04 117.51 118.76 2bj3 h ILE 43 Ca 0.02 -0.11 -0.30 0.00 1.00 0.00 0.00 64.86 65.47 2bj3 h ILE 43 Cb 0.37 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2bj3 h ILE 43 CO 0.00 0.06 -1.37 0.03 0.00 0.00 0.00 178.15 176.88 2bj3 h ARG 44 N 0.31 0.33 -0.63 2.37 3.08 -1.27 -2.69 114.38 115.89 2bj3 h ARG 44 Ca 0.29 -0.57 -0.07 0.00 0.07 0.00 0.00 59.98 59.71 2bj3 h ARG 44 Cb 0.72 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 2bj3 h ARG 44 CO -0.07 1.25 0.13 1.25 -1.07 0.00 0.00 179.97 181.47 2bj3 h HIS 45 N 0.09 1.07 -0.24 3.04 2.76 -0.78 -1.88 115.15 119.21 2bj3 h HIS 45 Ca -0.19 -0.14 -0.04 0.00 -2.20 0.00 0.00 60.37 57.81 2bj3 h HIS 45 Cb 2.03 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 30.68 2bj3 h HIS 45 CO 0.08 0.90 0.00 0.93 -1.30 0.00 0.00 177.93 178.55 2bj3 h GLU 46 N 0.93 0.43 0.00 5.26 5.08 -1.10 -0.87 114.58 124.31 2bj3 h GLU 46 Ca 0.19 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2bj3 h GLU 46 Cb 0.39 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2bj3 h GLU 46 CO 0.01 0.60 -0.08 -1.49 -1.00 0.00 0.00 179.01 177.05 2bj3 h TRP 47 N 0.21 0.00 0.26 4.33 6.55 -1.39 0.12 115.95 126.03 2bj3 h TRP 47 Ca 0.07 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.90 2bj3 h TRP 47 Cb 0.41 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.71 2bj3 h TRP 47 CO 0.03 0.08 -0.13 0.93 -1.05 0.00 0.00 178.44 178.31 2bj3 h GLU 48 N 0.00 -0.34 -0.73 0.49 5.08 -0.80 -0.39 114.58 117.89 2bj3 h GLU 48 Ca -0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2bj3 h GLU 48 Cb 0.17 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2bj3 h GLU 48 CO 0.01 -0.23 0.48 -0.39 -1.00 0.00 0.00 179.01 177.89 2bj3 h VAL 49 N -0.65 1.12 0.00 3.13 -1.51 -1.13 0.48 116.25 117.69 2bj3 h VAL 49 Ca -0.04 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2bj3 h VAL 49 Cb 0.27 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 29.57 2bj3 h VAL 49 CO 0.06 0.16 0.00 0.61 -1.23 0.00 0.00 177.57 177.17 2bj3 n GLY 50 N -1.43 -1.26 4.13 5.19 0.00 0.43 -4.90 105.19 107.34 2bj3 n GLY 50 Ca 0.09 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.31 -1.72 -4.71 1.61 5.15 0.16 -4.89 115.26 109.55 2bj3 n ASN 51 Ca 0.13 -1.03 -0.31 0.00 -0.60 0.00 0.00 54.58 52.77 2bj3 n ASN 51 Cb 0.24 -2.77 0.14 0.00 -0.53 0.00 0.00 39.78 36.86 2bj3 n ASN 51 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2bj3 s GLU 52 N -6.82 1.43 -0.57 1.20 0.41 -0.27 -4.22 118.70 109.86 2bj3 s GLU 52 Ca 0.38 1.34 -0.27 0.00 -0.41 0.00 0.00 54.97 56.01 2bj3 s GLU 52 Cb -0.21 -1.79 0.03 0.00 -1.78 0.00 0.00 34.13 30.39 2bj3 s GLU 52 CO 0.92 -2.27 1.10 -2.00 -0.49 0.00 0.00 175.26 172.52 2bj3 s GLU 53 N -4.76 3.45 0.27 1.61 2.56 -1.26 -0.12 118.70 120.45 2bj3 s GLU 53 Ca 0.64 0.08 0.11 0.00 0.00 0.00 0.00 54.97 55.80 2bj3 s GLU 53 Cb -0.20 -4.02 -0.05 0.00 2.00 0.00 0.00 34.13 31.85 2bj3 s GLU 53 CO 0.57 -1.60 -0.13 0.14 -0.56 0.00 0.00 175.26 173.68 2bj3 s VAL 54 N 4.59 2.84 0.12 3.70 -7.23 0.03 -4.54 120.40 119.92 2bj3 s VAL 54 Ca 0.39 -2.19 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 2bj3 s VAL 54 Cb -0.09 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2bj3 s VAL 54 CO 0.23 -0.37 -0.10 0.00 -0.31 0.00 0.00 175.10 174.56 2bj3 s ALA 55 N -2.37 1.29 0.00 1.32 0.00 0.09 -0.87 121.76 121.22 2bj3 s ALA 55 Ca 0.30 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2bj3 s ALA 55 Cb -0.06 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.12 2bj3 s ALA 55 CO 0.16 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.24 2bj3 n GLY 56 N 0.04 -0.52 3.02 0.00 0.00 0.14 0.10 105.19 107.96 2bj3 n GLY 56 Ca -0.12 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.24 0.11 -0.24 2.61 -4.23 0.18 -1.48 115.64 109.36 2bj3 s THR 57 Ca 0.00 -0.94 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 2bj3 s THR 57 Cb 0.00 -0.41 0.06 0.00 1.34 0.00 0.00 72.50 73.49 2bj3 s THR 57 CO 0.00 -0.52 -0.09 -0.63 -0.54 0.00 0.00 174.62 172.84 2bj3 s ILE 58 N -1.67 1.90 -0.11 2.99 1.01 -0.35 -0.52 121.20 124.45 2bj3 s ILE 58 Ca -0.14 -1.42 -0.11 0.00 0.00 0.00 0.00 60.65 58.98 2bj3 s ILE 58 Cb -0.08 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 2bj3 s ILE 58 CO -0.01 -0.02 0.25 -0.89 0.00 0.00 0.00 174.94 174.27 2bj3 s THR 59 N 1.23 5.32 -0.04 2.92 2.01 -0.52 -1.98 115.64 124.58 2bj3 s THR 59 Ca -0.07 0.47 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 2bj3 s THR 59 Cb -0.19 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.79 2bj3 s THR 59 CO -0.06 0.52 0.01 -0.63 -0.69 0.00 0.00 174.62 173.77 2bj3 s ILE 60 N -0.41 0.19 -0.21 1.82 1.01 0.33 -1.63 121.20 122.30 2bj3 s ILE 60 Ca 0.17 0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 2bj3 s ILE 60 Cb -0.13 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.00 2bj3 s ILE 60 CO 0.06 0.19 -0.08 -0.69 0.00 0.00 0.00 174.94 174.42 2bj3 s VAL 61 N 1.55 3.03 0.14 2.92 1.01 -0.09 -0.19 120.40 128.78 2bj3 s VAL 61 Ca -0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2bj3 s VAL 61 Cb -0.13 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2bj3 s VAL 61 CO -0.03 0.43 0.07 -0.72 0.00 0.00 0.00 175.10 174.85 2bj3 s TYR 62 N 1.42 0.90 -0.12 5.22 -0.85 -0.16 0.08 117.35 123.84 2bj3 s TYR 62 Ca 0.05 -1.25 -0.29 0.00 -0.52 0.00 0.00 57.07 55.06 2bj3 s TYR 62 Cb -0.14 -0.48 -0.02 0.00 0.38 0.00 0.00 41.96 41.70 2bj3 s TYR 62 CO -0.06 -0.54 1.14 1.21 -1.52 0.00 0.00 175.55 175.78 2bj3 s ASN 63 N -3.07 7.08 0.19 -0.18 3.84 0.14 -1.23 114.94 121.71 2bj3 s ASN 63 Ca 0.26 1.64 -0.13 0.00 0.21 0.00 0.00 52.86 54.85 2bj3 s ASN 63 Cb 0.07 -2.55 0.20 0.00 -0.55 0.00 0.00 41.25 38.42 2bj3 s ASN 63 CO 0.03 -0.61 1.70 -0.74 -2.79 0.00 0.00 177.10 174.69 2bj3 h HIS 64 N 7.55 0.05 0.00 0.43 -0.00 -1.41 -0.40 115.15 121.37 2bj3 h HIS 64 Ca -0.29 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.04 2bj3 h HIS 64 Cb 1.13 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.58 2bj3 h HIS 64 CO 0.75 -0.07 -0.38 -0.44 -0.00 0.00 0.00 177.93 177.79 2bj3 h ASP 65 N 0.17 0.00 0.02 3.26 3.32 -1.92 -3.37 116.42 117.89 2bj3 h ASP 65 Ca 0.26 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.00 2bj3 h ASP 65 Cb 0.38 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 2bj3 h ASP 65 CO -0.39 0.38 -1.67 -0.62 -1.72 0.00 0.00 179.24 175.22 2bj3 n GLU 66 N -3.49 0.60 -2.91 3.56 1.02 -1.00 -5.00 120.64 113.42 2bj3 n GLU 66 Ca 0.00 0.45 -0.35 0.00 -0.02 0.00 0.00 57.16 57.24 2bj3 n GLU 66 Cb 0.53 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 2bj3 n GLU 66 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2bj3 s GLY 67 N -5.16 2.57 -0.39 0.62 0.00 -0.19 -4.62 107.32 100.15 2bj3 s GLY 67 Ca -0.30 0.34 0.09 0.00 0.00 0.00 0.00 44.72 44.84 2bj3 s GLY 67 CO 0.60 0.68 1.09 1.22 0.00 0.00 0.00 173.10 176.68 2bj3 n ASP 68 N 0.10 3.93 -0.18 1.64 8.00 -1.26 -4.86 116.55 123.93 2bj3 n ASP 68 Ca 0.03 -3.44 -0.08 0.00 0.71 0.00 0.00 54.79 52.00 2bj3 n ASP 68 Cb 0.52 -0.46 0.01 0.00 -0.02 0.00 0.00 41.12 41.17 2bj3 n ASP 68 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2bj3 h VAL 69 N 2.74 1.20 -0.27 2.53 2.07 -1.93 -2.50 116.25 120.09 2bj3 h VAL 69 Ca 0.21 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2bj3 h VAL 69 Cb 1.06 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2bj3 h VAL 69 CO 0.74 0.22 0.17 0.58 0.02 0.00 0.00 177.57 179.30 2bj3 h VAL 70 N 0.67 1.09 -0.29 2.57 2.07 -1.99 0.29 116.25 120.65 2bj3 h VAL 70 Ca 0.17 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2bj3 h VAL 70 Cb 0.13 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2bj3 h VAL 70 CO -0.02 0.08 0.14 0.50 0.02 0.00 0.00 177.57 178.29 2bj3 h LYS 71 N 0.35 0.29 -0.53 1.57 1.63 -1.96 -0.83 116.57 117.09 2bj3 h LYS 71 Ca 0.10 -0.02 0.10 0.00 -0.85 0.00 0.00 60.65 59.98 2bj3 h LYS 71 Cb -0.01 -0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 31.47 2bj3 h LYS 71 CO -0.02 0.19 0.02 0.00 -3.45 0.00 0.00 179.45 176.19 2bj3 h ALA 72 N 1.15 0.53 -0.40 5.00 0.00 -0.97 -2.16 119.26 122.41 2bj3 h ALA 72 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2bj3 h ALA 72 Cb 0.05 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2bj3 h ALA 72 CO -0.09 -0.37 0.26 1.25 0.00 0.00 0.00 179.25 180.30 2bj3 h LEU 73 N 0.14 0.46 -1.93 0.00 5.85 -0.07 -2.40 115.31 117.36 2bj3 h LEU 73 Ca 0.27 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 2bj3 h LEU 73 Cb 0.41 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 2bj3 h LEU 73 CO -0.43 0.34 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.90 2bj3 h LEU 74 N 0.54 0.00 0.12 2.25 3.38 -0.58 0.68 115.31 121.69 2bj3 h LEU 74 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2bj3 h LEU 74 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2bj3 h LEU 74 CO -0.03 0.04 -0.06 0.44 0.09 0.00 0.00 178.44 178.92 2bj3 h ASP 75 N 0.00 -0.13 -0.44 -0.43 3.45 -1.07 -3.23 116.42 114.57 2bj3 h ASP 75 Ca -0.00 -0.40 0.01 0.00 0.43 0.00 0.00 57.03 57.07 2bj3 h ASP 75 Cb 0.07 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 2bj3 h ASP 75 CO 0.00 0.38 0.29 -0.07 -1.57 0.00 0.00 179.24 178.28 2bj3 h LEU 76 N -0.70 0.47 -1.96 1.55 3.38 -0.94 -2.08 115.31 115.03 2bj3 h LEU 76 Ca -0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2bj3 h LEU 76 Cb 0.53 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2bj3 h LEU 76 CO 0.03 0.33 0.38 1.56 0.09 0.00 0.00 178.44 180.83 2bj3 h GLN 77 N 0.55 0.00 0.14 1.13 4.20 -0.89 -0.24 115.11 120.00 2bj3 h GLN 77 Ca 0.17 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.56 2bj3 h GLN 77 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2bj3 h GLN 77 CO -0.04 0.00 -1.64 1.25 -0.67 0.00 0.00 178.83 177.73 2bj3 h HIS 78 N 0.00 0.53 0.63 2.96 2.76 -1.50 -3.01 115.15 117.52 2bj3 h HIS 78 Ca 0.07 -0.38 -0.03 0.00 -2.20 0.00 0.00 60.37 57.83 2bj3 h HIS 78 Cb 0.83 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.78 2bj3 h HIS 78 CO 0.00 1.64 -0.30 0.93 -1.30 0.00 0.00 177.93 178.90 2bj3 h GLU 79 N -0.12 -0.82 -1.41 5.26 5.08 -1.21 -3.25 114.58 118.11 2bj3 h GLU 79 Ca -0.34 0.06 -0.40 0.00 -1.00 0.00 0.00 59.36 57.67 2bj3 h GLU 79 Cb 1.91 0.19 -0.17 0.00 0.50 0.00 0.00 28.75 31.17 2bj3 h GLU 79 CO 0.09 -0.54 0.52 0.66 -1.00 0.00 0.00 179.01 178.74 2bj3 n TYR 80 N -5.03 1.91 -0.36 4.33 4.02 -0.25 -4.68 117.16 117.10 2bj3 n TYR 80 Ca -0.11 -2.20 0.26 0.00 -0.01 0.00 0.00 57.90 55.85 2bj3 n TYR 80 Cb 0.33 -1.06 0.52 0.00 -0.02 0.00 0.00 39.34 39.11 2bj3 n TYR 80 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2bj3 h LEU 81 N 2.41 0.45 -0.18 7.72 5.85 -1.56 0.16 115.31 130.16 2bj3 h LEU 81 Ca 0.36 0.16 -0.21 0.00 0.84 0.00 0.00 57.88 59.02 2bj3 h LEU 81 Cb 0.89 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2bj3 h LEU 81 CO 0.94 -0.09 -0.95 0.44 -0.34 0.00 0.00 178.44 178.44 2bj3 h ASP 82 N 0.30 0.30 -0.00 1.25 5.19 -1.87 -3.36 116.42 118.23 2bj3 h ASP 82 Ca 0.72 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.87 2bj3 h ASP 82 Cb 1.81 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 41.23 2bj3 h ASP 82 CO -0.50 1.09 -0.02 -0.33 -3.12 0.00 0.00 179.24 176.36 2bj3 h GLU 83 N 0.11 0.02 -6.48 3.56 3.07 -0.87 -3.43 114.58 110.57 2bj3 h GLU 83 Ca -0.06 -0.02 -0.55 0.00 -0.50 0.00 0.00 59.36 58.23 2bj3 h GLU 83 Cb 1.61 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.46 2bj3 h GLU 83 CO 0.15 0.71 1.06 0.42 -1.40 0.00 0.00 179.01 179.95 2bj3 s ILE 84 N -3.44 3.87 -0.12 3.13 1.01 -0.53 -0.49 121.20 124.64 2bj3 s ILE 84 Ca -0.17 0.79 -0.20 0.00 0.00 0.00 0.00 60.65 61.06 2bj3 s ILE 84 Cb -0.00 -4.46 -0.26 0.00 0.01 0.00 0.00 42.46 37.75 2bj3 s ILE 84 CO 0.69 -1.12 0.61 0.40 0.00 0.00 0.00 174.94 175.51 2bj3 h ILE 85 N 6.35 1.24 -2.68 2.92 2.04 -0.48 -3.47 117.51 123.44 2bj3 h ILE 85 Ca -0.26 -2.38 -0.11 0.00 1.00 0.00 0.00 64.86 63.11 2bj3 h ILE 85 Cb 1.09 2.85 -0.22 0.00 -0.74 0.00 0.00 36.82 39.80 2bj3 h ILE 85 CO 1.16 0.63 -0.16 -0.44 0.00 0.00 0.00 178.15 179.34 2bj3 s SER 86 N -6.84 -0.41 -0.07 1.72 0.01 -1.13 -4.98 113.70 101.99 2bj3 s SER 86 Ca -0.20 0.62 0.05 0.00 1.31 0.00 0.00 55.95 57.73 2bj3 s SER 86 Cb 0.03 0.68 -0.01 0.00 0.21 0.00 0.00 66.02 66.93 2bj3 s SER 86 CO 0.74 -0.31 -0.23 -0.55 0.41 0.00 0.00 173.24 173.29 2bj3 s SER 87 N -0.46 2.86 -0.06 2.44 0.15 -1.26 0.22 113.70 117.59 2bj3 s SER 87 Ca -0.06 -0.49 0.03 0.00 0.70 0.00 0.00 55.95 56.13 2bj3 s SER 87 Cb -0.03 -0.96 0.01 0.00 -1.71 0.00 0.00 66.02 63.32 2bj3 s SER 87 CO 0.03 0.19 -0.15 -0.22 1.20 0.00 0.00 173.24 174.30 2bj3 s LEU 88 N 0.06 1.80 -0.02 3.45 2.96 0.12 -5.01 118.68 122.04 2bj3 s LEU 88 Ca -0.09 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.55 2bj3 s LEU 88 Cb -0.15 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 2bj3 s LEU 88 CO 0.05 0.09 -0.20 -2.28 -1.32 0.00 0.00 176.35 172.69 2bj3 s HIS 89 N 0.36 1.84 -0.02 5.38 5.65 -1.26 -0.89 115.29 126.34 2bj3 s HIS 89 Ca -0.10 -0.38 -0.00 0.00 0.25 0.00 0.00 55.06 54.83 2bj3 s HIS 89 Cb -0.14 -1.19 0.03 0.00 -1.18 0.00 0.00 32.58 30.10 2bj3 s HIS 89 CO 0.03 -0.05 0.03 0.08 -0.65 0.00 0.00 174.74 174.18 2bj3 s VAL 90 N -0.41 -0.02 -0.74 0.89 1.01 0.13 -4.98 120.40 116.28 2bj3 s VAL 90 Ca 0.06 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.06 2bj3 s VAL 90 Cb -0.08 -0.12 0.12 0.00 0.00 0.00 0.00 36.38 36.29 2bj3 s VAL 90 CO -0.00 0.11 0.91 -1.00 0.00 0.00 0.00 175.10 175.11 2bj3 s HIS 91 N 1.16 3.05 0.03 5.22 3.76 -1.26 0.46 115.29 127.70 2bj3 s HIS 91 Ca -0.08 -1.13 -0.28 0.00 -0.15 0.00 0.00 55.06 53.42 2bj3 s HIS 91 Cb -0.13 -4.14 -0.15 0.00 1.11 0.00 0.00 32.58 29.26 2bj3 s HIS 91 CO -0.03 -1.40 1.23 0.52 -0.85 0.00 0.00 174.74 174.21 2bj3 h MET 92 N 9.00 -0.97 0.00 1.40 0.00 -1.57 -3.48 114.93 119.31 2bj3 h MET 92 Ca -0.10 0.07 0.00 0.00 0.00 0.00 0.00 59.70 59.67 2bj3 h MET 92 Cb 1.06 0.22 0.00 0.00 0.00 0.00 0.00 31.60 32.88 2bj3 h MET 92 CO 1.08 -0.65 0.00 -0.40 0.00 0.00 0.00 176.91 176.95 2bj3 n ASP 93 N -5.19 0.00 0.31 1.22 5.75 -1.07 -5.01 116.55 112.56 2bj3 n ASP 93 Ca -0.12 -0.67 0.18 0.00 -0.01 0.00 0.00 54.79 54.17 2bj3 n ASP 93 Cb 0.40 0.00 1.02 0.00 -1.03 0.00 0.00 41.12 41.51 2bj3 n ASP 93 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2bj3 h GLU 94 N 0.00 0.00 0.00 0.11 4.11 -2.04 -3.30 114.58 113.46 2bj3 h GLU 94 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 2bj3 h GLU 94 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2bj3 h GLU 94 CO 0.00 0.00 -1.53 0.72 0.07 0.00 0.00 179.01 178.27 2bj3 n HIS 95 N -3.57 0.00 -2.94 2.06 8.25 -1.26 -4.86 115.22 112.90 2bj3 n HIS 95 Ca -0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.03 2bj3 n HIS 95 Cb 0.09 -0.35 -0.05 0.00 1.12 0.00 0.00 29.99 30.80 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 -5.41 7.20 0.08 0.41 0.01 -1.24 -1.03 114.94 114.96 2bj3 s ASN 96 Ca -0.13 1.44 0.08 0.00 -0.71 0.00 0.00 52.86 53.54 2bj3 s ASN 96 Cb 0.04 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 2bj3 s ASN 96 CO 0.19 -0.06 -0.22 0.00 -1.51 0.00 0.00 177.10 175.50 2bj3 s LEU 98 N -1.63 1.49 -0.18 0.00 0.20 0.17 -0.99 118.68 117.75 2bj3 s LEU 98 Ca 0.08 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.52 2bj3 s LEU 98 Cb -0.10 -0.98 0.01 0.00 -0.43 0.00 0.00 46.19 44.69 2bj3 s LEU 98 CO 0.03 -0.05 -0.17 -0.70 -0.29 0.00 0.00 176.35 175.17 2bj3 s GLU 99 N 1.36 3.09 -0.09 1.98 2.56 0.73 0.18 118.70 128.52 2bj3 s GLU 99 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 54.97 54.21 2bj3 s GLU 99 Cb -0.14 -2.64 0.01 0.00 2.00 0.00 0.00 34.13 33.36 2bj3 s GLU 99 CO -0.06 -0.15 -0.18 0.54 -0.56 0.00 0.00 175.26 174.85 2bj3 s VAL 100 N 1.20 1.59 -0.03 3.70 0.11 -0.07 -0.51 120.40 126.39 2bj3 s VAL 100 Ca 0.02 -0.74 0.06 0.00 -2.93 0.00 0.00 61.98 58.40 2bj3 s VAL 100 Cb -0.14 -1.41 -0.01 0.00 -1.53 0.00 0.00 36.38 33.29 2bj3 s VAL 100 CO -0.08 0.46 -0.22 0.27 -3.33 0.00 0.00 175.10 172.19 2bj3 s ILE 101 N 0.57 1.79 -0.25 7.04 -4.36 -0.84 -0.70 121.20 124.46 2bj3 s ILE 101 Ca -0.15 -0.95 -0.15 0.00 -0.26 0.00 0.00 60.65 59.14 2bj3 s ILE 101 Cb -0.17 -1.50 -0.04 0.00 1.25 0.00 0.00 42.46 42.01 2bj3 s ILE 101 CO 0.05 0.51 0.37 -0.69 0.24 0.00 0.00 174.94 175.41 2bj3 s VAL 102 N -0.38 5.19 0.10 8.37 1.01 0.13 -1.21 120.40 133.62 2bj3 s VAL 102 Ca 0.05 0.58 0.09 0.00 0.00 0.00 0.00 61.98 62.70 2bj3 s VAL 102 Cb -0.10 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2bj3 s VAL 102 CO 0.00 0.20 -0.23 0.68 0.00 0.00 0.00 175.10 175.75 2bj3 s VAL 103 N 1.77 1.93 -0.09 2.92 -7.23 -0.55 0.25 120.40 119.40 2bj3 s VAL 103 Ca 0.16 -1.57 -0.04 0.00 -1.81 0.00 0.00 61.98 58.72 2bj3 s VAL 103 Cb -0.15 -1.72 0.05 0.00 0.56 0.00 0.00 36.38 35.11 2bj3 s VAL 103 CO 0.09 0.05 0.20 -0.75 -0.31 0.00 0.00 175.10 174.39 2bj3 s LYS 104 N -1.83 0.14 0.00 4.82 2.20 0.36 -0.69 119.74 124.74 2bj3 s LYS 104 Ca 0.10 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 2bj3 s LYS 104 Cb -0.10 -0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.07 2bj3 s LYS 104 CO 0.04 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 2bj3 n GLY 105 N 4.48 -0.75 3.71 5.54 0.00 -0.05 -4.00 105.19 114.13 2bj3 n GLY 105 Ca -0.21 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 2bj3 n GLY 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bj3 s GLU 106 N -1.73 4.57 0.28 1.61 -1.05 -1.26 -0.79 118.70 120.33 2bj3 s GLU 106 Ca 0.00 1.47 -0.06 0.00 -0.15 0.00 0.00 54.97 56.23 2bj3 s GLU 106 Cb 0.00 -3.43 0.50 0.00 -0.44 0.00 0.00 34.13 30.76 2bj3 s GLU 106 CO 0.00 -0.02 1.54 0.00 0.95 0.00 0.00 175.26 177.73 2bj3 n ALA 107 N 3.66 0.28 -0.26 -0.84 0.00 0.83 -1.25 120.51 122.92 2bj3 n ALA 107 Ca 0.06 1.08 -0.00 0.00 0.00 0.00 0.00 53.44 54.58 2bj3 n ALA 107 Cb 0.50 -0.67 0.12 0.00 0.00 0.00 0.00 19.45 19.40 2bj3 n ALA 107 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2bj3 h LYS 108 N 0.00 0.76 -0.13 0.00 3.64 -1.82 0.17 116.57 119.19 2bj3 h LYS 108 Ca 0.49 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.77 2bj3 h LYS 108 Cb 0.80 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2bj3 h LYS 108 CO -1.00 0.50 -0.16 0.87 -2.27 0.00 0.00 179.45 177.39 2bj3 h LYS 109 N 0.78 0.33 -0.68 1.90 1.57 -1.57 -2.28 116.57 116.61 2bj3 h LYS 109 Ca 0.34 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2bj3 h LYS 109 Cb 0.22 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2bj3 h LYS 109 CO -0.19 0.75 0.45 0.82 -0.57 0.00 0.00 179.45 180.71 2bj3 h ILE 110 N -0.07 1.17 -0.02 1.86 2.04 -0.98 0.82 117.51 122.33 2bj3 h ILE 110 Ca 0.02 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 2bj3 h ILE 110 Cb 0.71 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2bj3 h ILE 110 CO 0.04 0.17 -0.45 0.50 0.00 0.00 0.00 178.15 178.41 2bj3 h LYS 111 N 0.92 0.04 -0.50 2.37 3.64 -0.65 -2.05 116.57 120.34 2bj3 h LYS 111 Ca 0.25 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 2bj3 h LYS 111 Cb -0.09 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2bj3 h LYS 111 CO -0.06 0.48 0.13 1.98 -2.27 0.00 0.00 179.45 179.71 2bj3 h MET 112 N 0.04 0.80 -0.18 1.90 4.05 -0.28 -0.26 114.93 120.99 2bj3 h MET 112 Ca -0.00 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 2bj3 h MET 112 Cb 0.81 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 2bj3 h MET 112 CO 0.06 0.77 0.09 0.82 0.23 0.00 0.00 176.91 178.88 2bj3 h ILE 113 N 0.69 1.12 0.73 1.77 2.04 -0.83 -2.51 117.51 120.52 2bj3 h ILE 113 Ca 0.16 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 2bj3 h ILE 113 Cb 0.33 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2bj3 h ILE 113 CO 0.00 0.12 -0.49 0.00 0.00 0.00 0.00 178.15 177.78 2bj3 h ALA 114 N 0.96 -1.22 -0.85 1.87 0.00 -1.19 -2.28 119.26 116.55 2bj3 h ALA 114 Ca 0.06 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 54.90 2bj3 h ALA 114 Cb 0.11 0.63 -0.16 0.00 0.00 0.00 0.00 17.79 18.36 2bj3 h ALA 114 CO -0.01 -1.21 -0.22 -0.44 0.00 0.00 0.00 179.25 177.37 2bj3 h ASP 115 N -1.16 -0.81 0.52 0.00 3.32 -1.02 0.37 116.42 117.64 2bj3 h ASP 115 Ca -0.10 0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2bj3 h ASP 115 Cb 0.94 0.53 0.00 0.00 0.22 0.00 0.00 39.33 41.03 2bj3 h ASP 115 CO 0.07 -0.28 -0.28 0.11 -1.72 0.00 0.00 179.24 177.14 2bj3 h LYS 116 N -0.00 -0.71 -0.93 3.56 1.57 -1.28 -2.47 116.57 116.31 2bj3 h LYS 116 Ca 0.40 0.05 0.20 0.00 -1.87 0.00 0.00 60.65 59.43 2bj3 h LYS 116 Cb 0.62 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 33.02 2bj3 h LYS 116 CO -0.87 -0.47 0.61 -0.07 -0.57 0.00 0.00 179.45 178.07 2bj3 h LEU 117 N -0.73 0.47 -0.21 2.94 3.38 -0.88 -1.10 115.31 119.19 2bj3 h LEU 117 Ca -0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2bj3 h LEU 117 Cb 0.57 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2bj3 h LEU 117 CO 0.10 0.18 0.00 -0.07 0.09 0.00 0.00 178.44 178.74 2bj3 h LEU 118 N 0.47 0.00 0.00 1.67 3.38 -0.90 -3.19 115.31 116.74 2bj3 h LEU 118 Ca 0.49 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.39 2bj3 h LEU 118 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2bj3 h LEU 118 CO -0.21 0.00 -0.56 0.28 0.09 0.00 0.00 178.44 178.04 2bj3 h SER 119 N 0.00 0.00 -2.63 -0.43 0.02 -0.71 -3.47 113.55 106.33 2bj3 h SER 119 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 2bj3 h SER 119 Cb 0.90 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.58 2bj3 h SER 119 CO 0.00 0.32 -0.21 0.18 -1.14 0.00 0.00 176.83 175.98 2bj3 n LEU 120 N -3.08 0.97 -4.76 5.07 4.32 -1.13 -4.91 117.00 113.48 2bj3 n LEU 120 Ca 0.01 0.93 -0.39 0.00 -0.02 0.00 0.00 56.01 56.54 2bj3 n LEU 120 Cb 0.67 -1.20 -0.06 0.00 -1.62 0.00 0.00 43.42 41.21 2bj3 n LEU 120 CO 0.39 -2.44 0.65 -1.59 -1.22 0.00 0.00 177.39 173.18 2bj3 s LYS 121 N -1.79 4.76 0.00 3.23 -2.85 -1.26 -3.58 119.74 118.25 2bj3 s LYS 121 Ca 0.64 1.43 0.00 0.00 -1.00 0.00 0.00 55.97 57.04 2bj3 s LYS 121 Cb -0.57 -3.10 0.00 0.00 -2.06 0.00 0.00 37.83 32.09 2bj3 s LYS 121 CO 0.57 0.43 0.00 0.41 0.10 0.00 0.00 175.35 176.86 2bj3 n GLY 122 N 1.15 2.53 3.70 0.59 0.00 -1.26 -3.48 105.19 108.42 2bj3 n GLY 122 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.33 3.40 -0.21 1.61 1.01 -1.23 0.28 120.40 122.92 2bj3 s VAL 123 Ca 0.00 0.91 0.09 0.00 0.00 0.00 0.00 61.98 62.97 2bj3 s VAL 123 Cb 0.00 -3.58 -0.21 0.00 0.00 0.00 0.00 36.38 32.58 2bj3 s VAL 123 CO 0.00 0.03 0.01 0.29 0.00 0.00 0.00 175.10 175.43 2bj3 n LYS 124 N 4.78 0.67 -3.51 2.72 5.02 0.11 -4.93 118.16 123.03 2bj3 n LYS 124 Ca 0.13 0.10 -0.16 0.00 -2.02 0.00 0.00 58.31 56.36 2bj3 n LYS 124 Cb 0.42 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 33.83 2bj3 n LYS 124 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2bj3 s HIS 125 N -2.52 -0.61 -0.27 2.13 5.04 -1.04 -5.02 115.29 113.00 2bj3 s HIS 125 Ca -0.21 0.94 -0.34 0.00 -1.54 0.00 0.00 55.06 53.91 2bj3 s HIS 125 Cb 0.07 0.44 0.17 0.00 0.04 0.00 0.00 32.58 33.30 2bj3 s HIS 125 CO 0.72 -0.63 1.34 0.20 -2.34 0.00 0.00 174.74 174.04 2bj3 s GLY 126 N -1.46 -0.10 -0.05 1.59 0.00 -1.26 -0.91 107.32 105.13 2bj3 s GLY 126 Ca -0.08 2.25 -0.30 0.00 0.00 0.00 0.00 44.72 46.59 2bj3 s GLY 126 CO 0.05 0.82 0.77 1.25 0.00 0.00 0.00 173.10 176.00 2bj3 s LYS 127 N -1.66 0.94 -0.25 2.90 2.20 -0.64 -4.98 119.74 118.26 2bj3 s LYS 127 Ca 0.10 0.10 -0.10 0.00 -0.36 0.00 0.00 55.97 55.70 2bj3 s LYS 127 Cb -0.01 0.44 -0.05 0.00 -1.51 0.00 0.00 37.83 36.70 2bj3 s LYS 127 CO -0.05 -0.32 0.16 -1.17 -0.36 0.00 0.00 175.35 173.61 2bj3 s LEU 128 N -1.46 4.07 -0.26 5.43 2.96 -1.26 -1.43 118.68 126.73 2bj3 s LEU 128 Ca -0.06 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 2bj3 s LEU 128 Cb -0.00 -2.10 0.05 0.00 0.50 0.00 0.00 46.19 44.64 2bj3 s LEU 128 CO 0.03 0.05 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.32 2bj3 s VAL 129 N 1.17 2.32 0.11 1.68 1.01 0.33 -4.95 120.40 122.05 2bj3 s VAL 129 Ca 0.07 -1.48 0.05 0.00 0.00 0.00 0.00 61.98 60.62 2bj3 s VAL 129 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2bj3 s VAL 129 CO 0.05 0.04 -0.12 0.00 0.00 0.00 0.00 175.10 175.07 2bj3 s MET 130 N 1.16 0.92 0.25 2.72 0.23 0.20 -0.64 119.30 124.14 2bj3 s MET 130 Ca -0.06 -1.17 0.06 0.00 -1.03 0.00 0.00 55.69 53.48 2bj3 s MET 130 Cb -0.19 -0.72 -0.05 0.00 -1.53 0.00 0.00 34.83 32.33 2bj3 s MET 130 CO -0.05 0.13 -0.06 -0.08 -2.03 0.00 0.00 175.02 172.93 2bj3 s THR 131 N -2.20 1.48 -0.16 3.16 -1.32 0.11 -2.12 115.64 114.60 2bj3 s THR 131 Ca 0.06 -2.11 -0.11 0.00 -1.21 0.00 0.00 61.69 58.32 2bj3 s THR 131 Cb -0.04 -2.36 -0.07 0.00 -1.51 0.00 0.00 72.50 68.52 2bj3 s THR 131 CO 0.02 -0.35 -0.26 -0.24 -2.21 0.00 0.00 174.62 171.58 2bj3 n SER 132 N -0.51 1.54 -0.19 8.08 2.88 -1.26 -0.73 113.62 123.43 2bj3 n SER 132 Ca -0.06 0.26 0.01 0.00 -1.33 0.00 0.00 58.87 57.75 2bj3 n SER 132 Cb 0.63 -0.61 0.01 0.00 -0.75 0.00 0.00 64.21 63.50 2bj3 n SER 132 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2bj3 n THR 133 N -4.02 0.30 -0.45 2.46 5.66 -1.26 -4.66 114.28 112.31 2bj3 n THR 133 Ca -0.27 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 2bj3 n THR 133 Cb 0.61 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 70.03 2bj3 n THR 133 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2bj3 n GLY 134 N -0.20 0.76 0.12 1.09 0.00 -1.26 -4.92 105.19 100.78 2bj3 n GLY 134 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2bj3 n GLY 134 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2bj3 h LYS 135 N 3.14 0.19 -5.44 1.61 3.64 -1.98 -3.47 116.57 114.26 2bj3 h LYS 135 Ca 0.00 -0.32 -0.42 0.00 -1.27 0.00 0.00 60.65 58.64 2bj3 h LYS 135 Cb 0.00 0.12 -0.19 0.00 -0.41 0.00 0.00 32.23 31.76 2bj3 h LYS 135 CO 0.00 0.99 -0.76 -1.21 -2.27 0.00 0.00 179.45 176.19 2bj3 s GLU 136 N -2.58 1.02 -0.30 1.90 0.41 -1.26 -5.09 118.70 112.80 2bj3 s GLU 136 Ca -0.14 -1.22 0.00 0.00 -0.41 0.00 0.00 54.97 53.20 2bj3 s GLU 136 Cb 0.07 -0.92 0.14 0.00 -1.78 0.00 0.00 34.13 31.64 2bj3 s GLU 136 CO 0.81 0.18 0.32 -1.17 -0.49 0.00 0.00 175.26 174.90 2bj3 s LEU 137 N -2.40 -0.28 0.00 1.80 2.96 -1.26 -4.07 118.68 115.42 2bj3 s LEU 137 Ca 0.08 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 53.18 2bj3 s LEU 137 Cb -0.05 0.57 0.00 0.00 0.50 0.00 0.00 46.19 47.21 2bj3 s LEU 137 CO 0.03 -0.37 0.47 1.33 -1.32 0.00 0.00 176.35 176.48