#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jbj h MET 58 N 0.00 0.52 -0.72 -3.83 1.85 -2.00 -2.77 114.93 107.98 2jbj h MET 58 Ca 0.00 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 2jbj h MET 58 Cb 0.00 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 31.95 2jbj h MET 58 CO 0.00 0.70 0.47 0.87 -0.40 0.00 0.00 176.91 178.54 2jbj h LYS 59 N 0.30 0.96 -0.93 0.39 6.56 -2.03 0.98 116.57 122.81 2jbj h LYS 59 Ca 0.08 -0.07 0.14 0.00 -1.06 0.00 0.00 60.65 59.74 2jbj h LYS 59 Cb 0.47 -0.21 -0.09 0.00 -0.57 0.00 0.00 32.23 31.83 2jbj h LYS 59 CO 0.02 0.65 0.55 0.00 -2.06 0.00 0.00 179.45 178.61 2jbj h ALA 60 N 1.25 1.43 0.03 3.86 0.00 -1.97 0.28 119.26 124.14 2jbj h ALA 60 Ca 0.26 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2jbj h ALA 60 Cb -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2jbj h ALA 60 CO -0.05 0.05 -0.01 0.35 0.00 0.00 0.00 179.25 179.58 2jbj h PHE 61 N 0.80 -0.03 0.00 0.00 3.57 -0.71 -2.84 116.94 117.72 2jbj h PHE 61 Ca 0.49 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.96 2jbj h PHE 61 Cb 0.62 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 2jbj h PHE 61 CO -0.04 0.34 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.15 2jbj h LEU 62 N -0.41 0.00 0.00 0.59 3.38 -0.42 -2.49 115.31 115.96 2jbj h LEU 62 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jbj h LEU 62 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2jbj h LEU 62 CO 0.01 0.17 -0.44 0.44 0.09 0.00 0.00 178.44 178.70 2jbj h ASP 63 N 0.00 0.00 1.24 -0.43 3.32 -0.94 -3.11 116.42 116.50 2jbj h ASP 63 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jbj h ASP 63 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2jbj h ASP 63 CO 0.02 0.18 -0.07 1.21 -1.72 0.00 0.00 179.24 178.86 2jbj n GLU 64 N -3.03 0.17 -2.47 3.56 4.07 -0.94 -4.79 120.64 117.21 2jbj n GLU 64 Ca 0.02 0.13 -0.42 0.00 -0.06 0.00 0.00 57.16 56.83 2jbj n GLU 64 Cb 0.61 -1.69 -0.03 0.00 -0.06 0.00 0.00 31.44 30.27 2jbj n GLU 64 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2jbj s LEU 65 N -3.98 4.35 -0.15 4.31 1.43 -1.18 -4.86 118.68 118.60 2jbj s LEU 65 Ca 0.11 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 2jbj s LEU 65 Cb 0.15 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.79 2jbj s LEU 65 CO 0.59 -0.47 -0.15 -0.54 0.23 0.00 0.00 176.35 176.01 2jbj s LYS 66 N 1.36 3.24 0.38 1.70 -0.14 -1.26 -5.00 119.74 120.01 2jbj s LYS 66 Ca 0.57 -0.74 0.15 0.00 -1.36 0.00 0.00 55.97 54.59 2jbj s LYS 66 Cb -0.27 -2.63 1.01 0.00 -1.68 0.00 0.00 37.83 34.27 2jbj s LYS 66 CO 0.27 0.04 1.80 0.00 -0.76 0.00 0.00 175.35 176.70 2jbj h ALA 67 N 7.24 2.09 0.00 5.17 0.00 -1.92 -1.19 119.26 130.65 2jbj h ALA 67 Ca -0.32 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2jbj h ALA 67 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2jbj h ALA 67 CO 0.57 -0.45 -0.28 1.05 0.00 0.00 0.00 179.25 180.13 2jbj h GLU 68 N 0.48 0.00 -0.02 0.00 9.09 -1.90 -2.40 114.58 119.82 2jbj h GLU 68 Ca 0.55 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.73 2jbj h GLU 68 Cb 1.26 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.36 2jbj h GLU 68 CO -0.28 0.28 -0.92 -0.91 0.05 0.00 0.00 179.01 177.24 2jbj h ASN 69 N 0.00 0.62 -0.17 3.06 2.35 -1.64 -2.05 115.58 117.74 2jbj h ASN 69 Ca -0.00 -0.48 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 2jbj h ASN 69 Cb 0.74 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 2jbj h ASN 69 CO 0.04 1.27 0.09 0.40 -1.65 0.00 0.00 177.43 177.57 2jbj h ILE 70 N 0.29 1.12 0.17 2.81 2.04 -1.25 0.71 117.51 123.40 2jbj h ILE 70 Ca -0.08 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.46 2jbj h ILE 70 Cb 1.55 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 2jbj h ILE 70 CO 0.16 0.11 -0.45 0.50 0.00 0.00 0.00 178.15 178.48 2jbj h LYS 71 N 0.16 -0.69 -0.65 2.37 3.64 -1.44 0.66 116.57 120.63 2jbj h LYS 71 Ca 0.06 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.61 2jbj h LYS 71 Cb 0.10 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 2jbj h LYS 71 CO -0.01 -0.46 0.17 -0.22 -2.27 0.00 0.00 179.45 176.66 2jbj h LYS 72 N -0.72 0.29 -0.60 1.90 1.63 -1.22 -0.72 116.57 117.14 2jbj h LYS 72 Ca 0.01 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.69 2jbj h LYS 72 Cb 0.72 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 2jbj h LYS 72 CO -0.23 0.19 -0.02 0.74 -3.45 0.00 0.00 179.45 176.68 2jbj h PHE 73 N 0.30 1.17 -0.40 1.91 0.04 -0.11 -1.42 116.94 118.42 2jbj h PHE 73 Ca 0.34 -0.21 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 2jbj h PHE 73 Cb 0.52 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2jbj h PHE 73 CO -0.23 1.04 -0.06 1.25 -0.60 0.00 0.00 178.31 179.71 2jbj h LEU 74 N 0.97 0.75 -0.16 1.54 5.85 0.84 -1.66 115.31 123.44 2jbj h LEU 74 Ca 0.17 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.58 2jbj h LEU 74 Cb 0.59 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2jbj h LEU 74 CO 0.04 0.91 -0.06 0.22 -0.34 0.00 0.00 178.44 179.21 2jbj h TYR 75 N 0.57 -0.14 -0.81 1.25 3.20 -1.09 -2.27 116.97 117.68 2jbj h TYR 75 Ca 0.11 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.19 2jbj h TYR 75 Cb 0.56 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 2jbj h TYR 75 CO 0.05 -0.10 0.55 -0.97 -1.64 0.00 0.00 178.16 176.05 2jbj h ASN 76 N -0.03 0.25 0.48 -2.11 -0.73 -0.92 -2.97 115.58 109.54 2jbj h ASN 76 Ca 0.08 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.28 2jbj h ASN 76 Cb 0.16 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.72 2jbj h ASN 76 CO -0.18 0.11 -0.51 0.49 -0.37 0.00 0.00 177.43 176.96 2jbj n PHE 77 N -4.43 0.00 -0.05 0.67 3.72 -0.65 -4.18 117.46 112.54 2jbj n PHE 77 Ca 0.16 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.61 2jbj n PHE 77 Cb 0.71 -0.24 0.10 0.00 -0.94 0.00 0.00 39.48 39.11 2jbj n PHE 77 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2jbj n THR 78 N -1.49 0.83 0.08 4.37 -2.24 -0.99 -4.72 114.28 110.14 2jbj n THR 78 Ca 0.06 -0.92 -0.07 0.00 -2.27 0.00 0.00 64.05 60.84 2jbj n THR 78 Cb 0.34 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.13 2jbj n THR 78 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2jbj h GLN 79 N 1.51 0.08 -5.14 -0.78 1.08 -1.72 -3.43 115.11 106.69 2jbj h GLN 79 Ca 0.00 -0.10 -0.35 0.00 -1.45 0.00 0.00 58.65 56.74 2jbj h GLN 79 Cb 0.62 0.03 -0.14 0.00 -0.05 0.00 0.00 27.48 27.93 2jbj h GLN 79 CO 0.00 0.95 -0.71 0.96 -0.95 0.00 0.00 178.83 179.09 2jbj s ILE 80 N -2.97 1.23 0.50 2.54 -4.36 -1.26 -5.08 121.20 111.80 2jbj s ILE 80 Ca -0.01 -2.08 -0.22 0.00 -0.26 0.00 0.00 60.65 58.09 2jbj s ILE 80 Cb 0.10 -1.96 -0.06 0.00 1.25 0.00 0.00 42.46 41.79 2jbj s ILE 80 CO 0.82 -0.66 1.19 -2.84 0.24 0.00 0.00 174.94 173.69 2jbj s PRO 81 N -3.75 3.53 -0.50 0.37 0.02 -1.26 -4.70 135.00 128.71 2jbj s PRO 81 Ca 0.19 1.81 0.08 0.00 0.02 0.00 0.00 61.00 63.10 2jbj s PRO 81 Cb 0.03 -2.27 0.36 0.00 0.02 0.00 0.00 34.50 32.63 2jbj s PRO 81 CO 0.03 -0.75 0.90 0.72 -0.33 0.00 0.00 177.00 177.57 2jbj n HIS 82 N -0.81 2.80 -2.25 6.54 8.25 -1.06 -4.59 115.22 124.10 2jbj n HIS 82 Ca 0.09 -3.82 -0.41 0.00 -0.26 0.00 0.00 57.72 53.33 2jbj n HIS 82 Cb 0.48 -0.43 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 2jbj n HIS 82 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2jbj s LEU 83 N -3.18 4.46 0.16 2.41 2.96 -1.24 -1.48 118.68 122.77 2jbj s LEU 83 Ca 0.45 2.50 -0.34 0.00 -0.22 0.00 0.00 54.13 56.53 2jbj s LEU 83 Cb 0.32 -3.63 -0.14 0.00 0.50 0.00 0.00 46.19 43.23 2jbj s LEU 83 CO -0.12 -0.41 1.54 0.00 -1.32 0.00 0.00 176.35 176.03 2jbj n ALA 84 N 1.32 1.12 -0.12 5.97 0.00 -1.26 -1.65 120.51 125.89 2jbj n ALA 84 Ca 0.01 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2jbj n ALA 84 Cb 0.43 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2jbj n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jbj n GLY 85 N 3.20 0.70 3.95 0.00 0.00 -1.26 -5.01 105.19 106.76 2jbj n GLY 85 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2jbj n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jbj s THR 86 N -2.38 4.96 0.33 2.61 -4.23 -0.66 -4.89 115.64 111.38 2jbj s THR 86 Ca 0.00 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 2jbj s THR 86 Cb 0.00 -3.79 0.24 0.00 1.34 0.00 0.00 72.50 70.29 2jbj s THR 86 CO 0.00 -0.45 1.97 -0.08 -0.54 0.00 0.00 174.62 175.52 2jbj h GLU 87 N 0.83 0.89 -0.80 3.99 4.22 -1.98 -1.67 114.58 120.07 2jbj h GLU 87 Ca -0.50 -0.08 -0.02 0.00 0.08 0.00 0.00 59.36 58.84 2jbj h GLU 87 Cb 1.23 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 2jbj h GLU 87 CO 0.60 0.63 0.40 1.96 -2.18 0.00 0.00 179.01 180.42 2jbj h GLN 88 N 0.90 1.14 -0.43 1.92 7.50 -1.91 0.25 115.11 124.48 2jbj h GLN 88 Ca 0.24 -0.16 -0.08 0.00 0.50 0.00 0.00 58.65 59.15 2jbj h GLN 88 Cb -0.03 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 27.27 2jbj h GLN 88 CO -0.04 0.87 -0.05 -0.97 -1.50 0.00 0.00 178.83 177.13 2jbj h ASN 89 N 1.12 0.71 -0.54 1.46 -1.24 -1.61 -2.50 115.58 112.98 2jbj h ASN 89 Ca 0.28 -0.18 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 2jbj h ASN 89 Cb 0.09 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 2jbj h ASN 89 CO -0.04 0.81 0.33 0.15 -1.29 0.00 0.00 177.43 177.39 2jbj h PHE 90 N 0.68 0.71 -0.53 0.67 3.57 -0.54 -1.30 116.94 120.19 2jbj h PHE 90 Ca 0.13 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2jbj h PHE 90 Cb 0.50 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2jbj h PHE 90 CO 0.02 0.48 0.06 1.96 -2.23 0.00 0.00 178.31 178.61 2jbj h GLN 91 N 0.73 0.86 -0.37 1.11 4.20 -0.87 -0.26 115.11 120.51 2jbj h GLN 91 Ca 0.19 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 2jbj h GLN 91 Cb -0.02 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2jbj h GLN 91 CO -0.04 0.82 0.04 1.25 -0.67 0.00 0.00 178.83 180.23 2jbj h LEU 92 N 0.81 0.61 -0.34 1.46 5.85 -1.25 -0.15 115.31 122.30 2jbj h LEU 92 Ca 0.17 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.68 2jbj h LEU 92 Cb 0.40 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 2jbj h LEU 92 CO 0.01 0.73 -0.08 0.00 -0.34 0.00 0.00 178.44 178.76 2jbj h ALA 93 N 0.90 0.23 -0.98 1.25 0.00 -0.45 0.41 119.26 120.61 2jbj h ALA 93 Ca 0.11 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.24 2jbj h ALA 93 Cb 0.40 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2jbj h ALA 93 CO 0.01 -0.46 0.63 0.87 0.00 0.00 0.00 179.25 180.30 2jbj h LYS 94 N 0.00 1.04 0.01 0.00 1.79 -0.82 -0.47 116.57 118.12 2jbj h LYS 94 Ca 0.16 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2jbj h LYS 94 Cb 0.25 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2jbj h LYS 94 CO -0.35 0.69 -0.00 0.37 -1.08 0.00 0.00 179.45 179.08 2jbj h GLN 95 N 1.07 -0.01 -0.84 3.15 4.15 0.06 -1.89 115.11 120.81 2jbj h GLN 95 Ca 0.44 0.00 0.14 0.00 0.77 0.00 0.00 58.65 60.00 2jbj h GLN 95 Cb 0.29 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.89 2jbj h GLN 95 CO -0.19 0.49 0.43 0.82 -1.93 0.00 0.00 178.83 178.45 2jbj h ILE 96 N -0.51 0.74 -0.40 2.39 1.08 0.06 -1.60 117.51 119.27 2jbj h ILE 96 Ca -0.00 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 2jbj h ILE 96 Cb 0.50 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.29 2jbj h ILE 96 CO 0.00 0.11 0.21 -0.61 -0.69 0.00 0.00 178.15 177.17 2jbj h GLN 97 N 0.63 0.57 -0.59 2.37 4.15 -0.94 0.14 115.11 121.44 2jbj h GLN 97 Ca 0.46 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.80 2jbj h GLN 97 Cb 0.63 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 2jbj h GLN 97 CO -0.35 0.48 0.37 0.77 -1.93 0.00 0.00 178.83 178.17 2jbj h SER 98 N 0.51 0.70 -0.19 -0.69 0.02 -1.00 -2.01 113.55 110.89 2jbj h SER 98 Ca 0.14 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 2jbj h SER 98 Cb 0.09 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2jbj h SER 98 CO -0.02 0.53 -0.36 1.56 -1.14 0.00 0.00 176.83 177.40 2jbj h GLN 99 N 0.80 0.58 -0.59 3.45 4.20 -1.03 -0.67 115.11 121.84 2jbj h GLN 99 Ca 0.21 -0.37 0.05 0.00 0.06 0.00 0.00 58.65 58.60 2jbj h GLN 99 Cb -0.05 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2jbj h GLN 99 CO -0.04 0.98 0.39 -1.49 -0.67 0.00 0.00 178.83 178.00 2jbj h TRP 100 N 0.24 0.62 0.24 2.96 4.06 -0.68 0.59 115.95 123.98 2jbj h TRP 100 Ca 0.01 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 2jbj h TRP 100 Cb 0.96 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 28.91 2jbj h TRP 100 CO 0.09 0.35 -0.12 0.87 -3.56 0.00 0.00 178.44 176.08 2jbj h LYS 101 N 0.64 -0.31 -0.47 0.49 1.57 -1.16 -2.79 116.57 114.53 2jbj h LYS 101 Ca 0.25 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2jbj h LYS 101 Cb 0.18 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2jbj h LYS 101 CO -0.07 -0.09 0.24 0.93 -0.57 0.00 0.00 179.45 179.89 2jbj h GLU 102 N -0.48 0.64 0.00 3.15 3.07 -0.65 -1.08 114.58 119.23 2jbj h GLU 102 Ca -0.03 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2jbj h GLU 102 Cb 0.36 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2jbj h GLU 102 CO 0.05 0.48 0.00 0.74 -1.40 0.00 0.00 179.01 178.89 2jbj h PHE 103 N 0.65 0.00 0.00 4.33 0.04 0.39 -3.46 116.94 118.88 2jbj h PHE 103 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 2jbj h PHE 103 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2jbj h PHE 103 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 2jbj n GLY 104 N -1.02 1.33 3.75 -1.45 0.00 -0.41 -4.21 105.19 103.18 2jbj n GLY 104 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2jbj n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jbj n LEU 105 N 0.00 5.43 0.06 0.99 4.77 -1.07 -4.88 117.00 122.29 2jbj n LEU 105 Ca 0.00 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 2jbj n LEU 105 Cb 0.00 -1.59 0.31 0.00 -2.33 0.00 0.00 43.42 39.82 2jbj n LEU 105 CO 0.00 -0.45 0.85 0.44 -1.33 0.00 0.00 177.39 176.90 2jbj h ASP 106 N 1.68 0.35 -5.08 -1.43 3.32 -1.42 -3.45 116.42 110.38 2jbj h ASP 106 Ca -0.51 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.38 2jbj h ASP 106 Cb 1.29 -0.09 -0.15 0.00 0.22 0.00 0.00 39.33 40.60 2jbj h ASP 106 CO 0.58 0.52 -0.20 -0.94 -1.72 0.00 0.00 179.24 177.48 2jbj s SER 107 N -6.82 -0.13 -0.16 6.45 1.04 -1.15 -5.00 113.70 107.92 2jbj s SER 107 Ca -0.06 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.03 2jbj s SER 107 Cb 0.15 0.40 0.08 0.00 0.10 0.00 0.00 66.02 66.75 2jbj s SER 107 CO 0.76 -0.71 0.26 -0.69 0.98 0.00 0.00 173.24 173.84 2jbj s VAL 108 N -3.15 -0.41 0.26 5.02 1.01 -1.26 -0.88 120.40 120.98 2jbj s VAL 108 Ca -0.01 0.12 0.12 0.00 0.00 0.00 0.00 61.98 62.21 2jbj s VAL 108 Cb 0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 2jbj s VAL 108 CO -0.07 -0.01 -0.20 -1.61 0.00 0.00 0.00 175.10 173.21 2jbj s GLU 109 N 2.41 1.62 -0.13 2.72 0.41 -0.27 -4.94 118.70 120.52 2jbj s GLU 109 Ca 0.04 -1.71 -0.13 0.00 -0.41 0.00 0.00 54.97 52.76 2jbj s GLU 109 Cb -0.13 -1.73 -0.05 0.00 -1.78 0.00 0.00 34.13 30.44 2jbj s GLU 109 CO -0.10 0.33 0.29 -0.51 -0.49 0.00 0.00 175.26 174.78 2jbj s LEU 110 N -3.33 4.30 -0.13 1.80 1.43 -1.26 -1.23 118.68 120.25 2jbj s LEU 110 Ca 0.28 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.96 2jbj s LEU 110 Cb -0.05 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 2jbj s LEU 110 CO 0.13 0.17 -0.17 0.00 0.23 0.00 0.00 176.35 176.71 2jbj s ALA 111 N 0.06 2.44 0.26 4.21 0.00 0.48 -4.94 121.76 124.28 2jbj s ALA 111 Ca 0.17 -0.97 0.11 0.00 0.00 0.00 0.00 51.96 51.28 2jbj s ALA 111 Cb -0.13 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 2jbj s ALA 111 CO 0.05 0.16 -0.20 -3.38 0.00 0.00 0.00 175.76 172.39 2jbj s HIS 112 N 0.52 2.21 -0.00 0.00 -3.43 -1.26 0.05 115.29 113.39 2jbj s HIS 112 Ca -0.11 -0.36 -0.09 0.00 -0.80 0.00 0.00 55.06 53.70 2jbj s HIS 112 Cb -0.16 -0.98 0.01 0.00 -1.43 0.00 0.00 32.58 30.02 2jbj s HIS 112 CO 0.04 0.65 0.18 0.71 -2.00 0.00 0.00 174.74 174.32 2jbj s TYR 113 N -2.48 -0.02 -0.40 0.38 2.02 -0.99 -4.87 117.35 111.00 2jbj s TYR 113 Ca 0.28 -0.02 -0.10 0.00 -0.37 0.00 0.00 57.07 56.86 2jbj s TYR 113 Cb -0.05 -0.01 0.05 0.00 -0.40 0.00 0.00 41.96 41.56 2jbj s TYR 113 CO 0.13 -0.30 0.23 -0.51 -1.57 0.00 0.00 175.55 173.53 2jbj s ASP 114 N -1.32 5.68 0.18 2.29 1.01 -0.20 -0.84 116.67 123.47 2jbj s ASP 114 Ca -0.14 -1.26 0.10 0.00 0.71 0.00 0.00 52.55 51.96 2jbj s ASP 114 Cb -0.07 -2.00 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 2jbj s ASP 114 CO 0.02 -0.47 -0.22 0.68 0.21 0.00 0.00 175.17 175.40 2jbj s VAL 115 N 1.49 2.13 -0.15 -1.27 -7.23 -0.61 -4.75 120.40 110.01 2jbj s VAL 115 Ca 0.02 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 57.93 2jbj s VAL 115 Cb -0.21 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2jbj s VAL 115 CO 0.04 -0.19 1.68 -0.22 -0.31 0.00 0.00 175.10 176.10 2jbj s LEU 116 N -2.65 4.05 0.00 1.32 2.96 -1.26 -0.17 118.68 122.93 2jbj s LEU 116 Ca 0.18 1.92 0.02 0.00 -0.22 0.00 0.00 54.13 56.03 2jbj s LEU 116 Cb -0.07 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.11 2jbj s LEU 116 CO 0.08 -1.16 0.18 0.18 -1.32 0.00 0.00 176.35 174.31 2jbj n LEU 117 N 8.10 0.00 -3.80 -0.68 4.77 -0.36 -4.83 117.00 120.20 2jbj n LEU 117 Ca 0.19 -1.58 -0.13 0.00 -0.03 0.00 0.00 56.01 54.46 2jbj n LEU 117 Cb 0.44 0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.43 2jbj n LEU 117 CO 0.64 -0.40 -0.13 -0.55 -1.33 0.00 0.00 177.39 175.62 2jbj s SER 118 N -2.71 -0.21 -0.08 -1.43 0.15 -1.26 -0.60 113.70 107.56 2jbj s SER 118 Ca 0.14 0.41 -0.07 0.00 0.70 0.00 0.00 55.95 57.12 2jbj s SER 118 Cb -0.01 0.43 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 2jbj s SER 118 CO 0.09 -0.08 0.22 -0.31 1.20 0.00 0.00 173.24 174.35 2jbj s TYR 119 N 0.07 -0.24 0.57 3.44 2.02 -0.62 -4.85 117.35 117.75 2jbj s TYR 119 Ca -0.00 0.58 -0.20 0.00 -0.37 0.00 0.00 57.07 57.08 2jbj s TYR 119 Cb -0.02 0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.58 2jbj s TYR 119 CO 0.00 -0.12 1.26 -1.25 -1.57 0.00 0.00 175.55 173.88 2jbj s PRO 120 N 0.14 3.03 -0.20 -1.71 0.04 -1.26 -1.27 135.00 133.78 2jbj s PRO 120 Ca -0.00 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 2jbj s PRO 120 Cb -0.02 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2jbj s PRO 120 CO 0.00 -1.19 1.66 1.21 0.04 0.00 0.00 177.00 178.72 2jbj s ASN 121 N -1.36 6.35 0.22 6.66 3.84 -1.26 -4.84 114.94 124.56 2jbj s ASN 121 Ca 0.75 1.72 -0.15 0.00 0.21 0.00 0.00 52.86 55.39 2jbj s ASN 121 Cb -0.34 -2.53 0.26 0.00 -0.55 0.00 0.00 41.25 38.09 2jbj s ASN 121 CO 0.38 -1.27 1.59 0.11 -2.79 0.00 0.00 177.10 175.12 2jbj h LYS 122 N 10.88 -0.05 -0.31 0.43 6.56 -1.95 -3.00 116.57 129.13 2jbj h LYS 122 Ca -0.35 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 2jbj h LYS 122 Cb 1.16 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 2jbj h LYS 122 CO 0.99 -0.03 0.00 0.25 -2.06 0.00 0.00 179.45 178.60 2jbj n THR 123 N -5.49 0.39 -3.38 -0.16 -2.24 -1.26 -4.65 114.28 97.49 2jbj n THR 123 Ca 0.09 -0.65 -0.26 0.00 -2.27 0.00 0.00 64.05 60.96 2jbj n THR 123 Cb 0.39 0.94 -0.09 0.00 -2.10 0.00 0.00 70.33 69.47 2jbj n THR 123 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2jbj n HIS 124 N 1.28 -0.41 -1.33 4.78 -0.00 -1.13 -5.14 115.22 113.27 2jbj n HIS 124 Ca 0.18 -3.45 -0.30 0.00 -0.00 0.00 0.00 57.72 54.15 2jbj n HIS 124 Cb 0.56 0.04 0.11 0.00 -0.00 0.00 0.00 29.99 30.70 2jbj n HIS 124 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 2jbj s PRO 125 N -0.40 1.83 0.05 1.57 0.02 -1.25 -4.55 135.00 132.28 2jbj s PRO 125 Ca 0.33 0.88 -0.13 0.00 0.02 0.00 0.00 61.00 62.10 2jbj s PRO 125 Cb 0.07 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.66 2jbj s PRO 125 CO -0.17 -1.86 0.42 -0.80 -0.33 0.00 0.00 177.00 174.26 2jbj s ASN 126 N -3.56 6.74 0.20 2.53 0.01 -1.26 -4.84 114.94 114.77 2jbj s ASN 126 Ca 0.62 0.90 -0.23 0.00 -0.71 0.00 0.00 52.86 53.44 2jbj s ASN 126 Cb -0.17 -2.22 0.05 0.00 0.41 0.00 0.00 41.25 39.32 2jbj s ASN 126 CO 0.56 0.23 0.89 -0.72 -1.51 0.00 0.00 177.10 176.55 2jbj s TYR 127 N -1.27 -0.12 -0.00 2.20 -0.85 -1.09 -4.79 117.35 111.42 2jbj s TYR 127 Ca 0.29 -0.25 0.06 0.00 -0.52 0.00 0.00 57.07 56.65 2jbj s TYR 127 Cb -0.15 0.67 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 2jbj s TYR 127 CO 0.16 -0.99 -0.18 0.42 -1.52 0.00 0.00 175.55 173.44 2jbj s ILE 128 N -3.36 2.77 0.02 -3.49 1.01 -1.26 -0.06 121.20 116.83 2jbj s ILE 128 Ca 0.13 -0.99 0.08 0.00 0.00 0.00 0.00 60.65 59.86 2jbj s ILE 128 Cb -0.03 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 2jbj s ILE 128 CO 0.04 0.48 -0.24 -0.44 0.00 0.00 0.00 174.94 174.78 2jbj s SER 129 N -1.02 2.88 -0.22 3.58 0.01 0.17 -0.80 113.70 118.29 2jbj s SER 129 Ca 0.13 -0.51 -0.27 0.00 1.31 0.00 0.00 55.95 56.61 2jbj s SER 129 Cb -0.10 -0.28 -0.00 0.00 0.21 0.00 0.00 66.02 65.84 2jbj s SER 129 CO 0.02 0.25 0.92 -0.63 0.41 0.00 0.00 173.24 174.22 2jbj s ILE 130 N -0.70 4.78 0.31 1.44 1.01 -0.28 -0.32 121.20 127.44 2jbj s ILE 130 Ca 0.10 1.78 0.06 0.00 0.00 0.00 0.00 60.65 62.60 2jbj s ILE 130 Cb -0.09 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 2jbj s ILE 130 CO 0.01 -0.09 0.42 0.27 0.00 0.00 0.00 174.94 175.54 2jbj s ILE 131 N 2.82 4.31 0.40 2.92 -4.36 -0.57 -0.30 121.20 126.41 2jbj s ILE 131 Ca 0.40 -1.04 0.05 0.00 -0.26 0.00 0.00 60.65 59.79 2jbj s ILE 131 Cb -0.16 -3.49 0.05 0.00 1.25 0.00 0.00 42.46 40.12 2jbj s ILE 131 CO 0.08 -0.20 0.43 -0.46 0.24 0.00 0.00 174.94 175.03 2jbj n ASN 132 N -1.55 1.87 -0.25 4.36 0.23 -0.35 -2.06 115.26 117.52 2jbj n ASN 132 Ca -0.03 -2.22 0.29 0.00 -0.53 0.00 0.00 54.58 52.10 2jbj n ASN 132 Cb 0.58 -0.17 0.69 0.00 -2.08 0.00 0.00 39.78 38.80 2jbj n ASN 132 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2jbj h GLU 133 N 0.00 0.08 0.00 -3.83 4.22 -1.92 -2.02 114.58 111.12 2jbj h GLU 133 Ca -0.22 -0.01 -0.22 0.00 0.08 0.00 0.00 59.36 59.00 2jbj h GLU 133 Cb 0.89 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 2jbj h GLU 133 CO 0.33 0.06 -1.60 -3.47 -2.18 0.00 0.00 179.01 172.15 2jbj n ASP 134 N -4.31 0.77 0.00 1.04 2.03 -1.26 -4.98 116.55 109.84 2jbj n ASP 134 Ca 0.22 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.88 2jbj n ASP 134 Cb 1.02 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 41.63 2jbj n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jbj n GLY 135 N 1.47 1.63 3.71 0.27 0.00 -0.76 -5.10 105.19 106.41 2jbj n GLY 135 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2jbj n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jbj s ASN 136 N -2.00 7.28 -0.92 1.61 0.02 -1.26 -4.78 114.94 114.88 2jbj s ASN 136 Ca 0.00 1.79 -0.23 0.00 -1.02 0.00 0.00 52.86 53.39 2jbj s ASN 136 Cb 0.00 -2.57 0.06 0.00 0.02 0.00 0.00 41.25 38.75 2jbj s ASN 136 CO 0.00 -0.32 1.35 -1.61 0.02 0.00 0.00 177.10 176.54 2jbj s GLU 137 N 0.96 3.47 0.05 -0.60 2.02 -1.26 -1.21 118.70 122.13 2jbj s GLU 137 Ca 0.54 -0.97 -0.28 0.00 0.02 0.00 0.00 54.97 54.28 2jbj s GLU 137 Cb -0.24 -4.97 -0.17 0.00 0.10 0.00 0.00 34.13 28.85 2jbj s GLU 137 CO 0.29 -2.13 1.50 0.82 0.02 0.00 0.00 175.26 175.76 2jbj h ILE 138 N 6.47 0.64 -4.31 -1.63 1.08 -0.99 -3.45 117.51 115.32 2jbj h ILE 138 Ca 0.06 -0.24 -0.68 0.00 -0.39 0.00 0.00 64.86 63.61 2jbj h ILE 138 Cb 1.02 0.77 -0.27 0.00 -3.07 0.00 0.00 36.82 35.27 2jbj h ILE 138 CO 1.35 0.05 -0.88 0.12 -0.69 0.00 0.00 178.15 178.10 2jbj s PHE 139 N -5.54 2.24 -0.07 1.37 5.36 -1.13 -4.95 117.98 115.26 2jbj s PHE 139 Ca -0.15 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 55.41 2jbj s PHE 139 Cb 0.03 -1.35 0.02 0.00 -0.34 0.00 0.00 43.02 41.38 2jbj s PHE 139 CO 0.60 0.11 -0.06 -0.80 -1.46 0.00 0.00 175.22 173.61 2jbj s ASN 140 N -1.18 1.57 0.94 6.13 0.01 -1.26 -1.13 114.94 120.02 2jbj s ASN 140 Ca 0.11 -0.21 -0.11 0.00 -0.71 0.00 0.00 52.86 51.94 2jbj s ASN 140 Cb -0.10 -0.64 0.16 0.00 0.41 0.00 0.00 41.25 41.08 2jbj s ASN 140 CO 0.02 -0.07 1.09 0.42 -1.51 0.00 0.00 177.10 177.05 2jbj s THR 141 N 1.22 2.45 0.59 1.60 -4.23 0.02 -4.99 115.64 112.30 2jbj s THR 141 Ca -0.05 0.15 -0.18 0.00 -1.18 0.00 0.00 61.69 60.42 2jbj s THR 141 Cb -0.14 -2.41 -0.07 0.00 1.34 0.00 0.00 72.50 71.22 2jbj s THR 141 CO -0.02 -0.19 0.64 -1.20 -0.54 0.00 0.00 174.62 173.31 2jbj n SER 142 N -4.15 -0.60 0.04 3.99 7.64 -1.26 -4.77 113.62 114.51 2jbj n SER 142 Ca 0.08 0.74 0.11 0.00 1.01 0.00 0.00 58.87 60.81 2jbj n SER 142 Cb 0.54 -1.23 -0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2jbj n SER 142 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jbj n LEU 143 N 0.09 0.59 -3.66 -3.43 4.77 -1.26 -4.83 117.00 109.28 2jbj n LEU 143 Ca 0.12 0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 56.11 2jbj n LEU 143 Cb 0.48 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 2jbj n LEU 143 CO 0.50 -0.03 0.55 0.72 -1.33 0.00 0.00 177.39 177.81 2jbj s PHE 144 N -3.28 -0.30 0.20 -1.77 -0.71 -1.26 -4.70 117.98 106.16 2jbj s PHE 144 Ca 0.01 -0.01 -0.25 0.00 -1.04 0.00 0.00 56.93 55.65 2jbj s PHE 144 Cb 0.13 0.62 -0.08 0.00 -1.21 0.00 0.00 43.02 42.48 2jbj s PHE 144 CO 0.81 -0.92 0.80 -1.21 -1.34 0.00 0.00 175.22 173.36 2jbj s GLU 145 N -3.58 4.53 -0.27 1.99 2.02 -1.26 -4.99 118.70 117.15 2jbj s GLU 145 Ca 0.08 1.15 -0.33 0.00 0.02 0.00 0.00 54.97 55.89 2jbj s GLU 145 Cb -0.03 -3.14 -0.09 0.00 0.10 0.00 0.00 34.13 30.97 2jbj s GLU 145 CO -0.02 0.50 2.15 -2.30 0.02 0.00 0.00 175.26 175.61 2jbj n PRO 146 N 1.30 1.53 -1.75 0.39 -0.02 -1.26 -4.91 135.00 130.28 2jbj n PRO 146 Ca -0.04 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.49 2jbj n PRO 146 Cb 0.49 -2.74 0.02 0.00 -0.02 0.00 0.00 33.50 31.25 2jbj n PRO 146 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jbj n PRO 147 N 8.13 2.14 -0.92 0.52 -0.04 -1.26 -4.96 135.00 138.61 2jbj n PRO 147 Ca 0.35 0.76 -0.31 0.00 -0.04 0.00 0.00 63.50 64.27 2jbj n PRO 147 Cb 0.31 -2.60 0.15 0.00 -0.04 0.00 0.00 33.50 31.32 2jbj n PRO 147 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2jbj s PRO 148 N -2.49 1.26 -0.34 0.54 0.04 -1.26 -4.61 135.00 128.15 2jbj s PRO 148 Ca 0.63 1.28 -0.43 0.00 0.04 0.00 0.00 61.00 62.51 2jbj s PRO 148 Cb -0.45 -1.78 -0.18 0.00 0.04 0.00 0.00 34.50 32.13 2jbj s PRO 148 CO 0.56 -2.37 1.59 -2.30 0.04 0.00 0.00 177.00 174.52 2jbj n PRO 149 N -4.03 0.48 -0.22 0.56 -0.02 -1.26 -2.32 135.00 128.20 2jbj n PRO 149 Ca 0.10 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2jbj n PRO 149 Cb 0.53 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 2jbj n PRO 149 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jbj n GLY 150 N 3.77 1.11 0.00 -1.23 0.00 -1.26 -4.78 105.19 102.80 2jbj n GLY 150 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2jbj n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jbj n TYR 151 N -2.00 0.00 0.08 1.61 4.01 -0.98 -4.43 117.16 115.45 2jbj n TYR 151 Ca 0.00 -0.17 0.02 0.00 -0.16 0.00 0.00 57.90 57.59 2jbj n TYR 151 Cb 0.00 -0.02 0.11 0.00 -0.31 0.00 0.00 39.34 39.12 2jbj n TYR 151 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2jbj n GLU 152 N -0.17 0.03 0.05 -0.72 0.28 -1.17 -1.19 120.64 117.75 2jbj n GLU 152 Ca 0.00 0.35 -0.04 0.00 -0.16 0.00 0.00 57.16 57.31 2jbj n GLU 152 Cb 0.11 -1.99 -0.09 0.00 1.43 0.00 0.00 31.44 30.90 2jbj n GLU 152 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2jbj h ASN 153 N 0.00 0.00 0.00 -1.84 -0.73 -1.91 -3.48 115.58 107.62 2jbj h ASN 153 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2jbj h ASN 153 Cb 0.79 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.38 2jbj h ASN 153 CO 0.00 0.83 0.00 0.52 -0.37 0.00 0.00 177.43 178.41 2jbj n VAL 154 N -3.18 0.00 0.00 2.57 0.31 -0.33 -4.93 118.33 112.77 2jbj n VAL 154 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2jbj n VAL 154 Cb 0.91 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.84 2jbj n VAL 154 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2jbj n SER 155 N 0.00 0.00 -3.47 4.52 2.88 -1.26 -4.49 113.62 111.80 2jbj n SER 155 Ca 0.00 0.79 -0.11 0.00 -1.33 0.00 0.00 58.87 58.22 2jbj n SER 155 Cb 0.00 -0.29 -0.10 0.00 -0.75 0.00 0.00 64.21 63.08 2jbj n SER 155 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2jbj s ASP 156 N -2.72 0.28 -0.17 -3.46 -0.00 -1.26 -5.12 116.67 104.22 2jbj s ASP 156 Ca 0.00 0.39 -0.29 0.00 -0.00 0.00 0.00 52.55 52.64 2jbj s ASP 156 Cb 0.00 1.03 -0.03 0.00 -0.00 0.00 0.00 42.92 43.92 2jbj s ASP 156 CO 0.00 -0.28 1.62 -0.63 -0.00 0.00 0.00 175.17 175.88 2jbj s ILE 157 N 2.52 3.69 0.27 0.77 1.01 -1.26 -4.93 121.20 123.27 2jbj s ILE 157 Ca 0.08 0.80 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 2jbj s ILE 157 Cb -0.14 -3.64 -0.10 0.00 0.01 0.00 0.00 42.46 38.59 2jbj s ILE 157 CO -0.14 -0.21 1.46 0.54 0.00 0.00 0.00 174.94 176.59 2jbj s VAL 158 N 4.81 2.53 0.70 2.92 0.11 -1.26 -4.98 120.40 125.23 2jbj s VAL 158 Ca 0.71 0.46 -0.12 0.00 -2.93 0.00 0.00 61.98 60.10 2jbj s VAL 158 Cb -0.27 -3.29 0.02 0.00 -1.53 0.00 0.00 36.38 31.30 2jbj s VAL 158 CO 0.28 0.08 1.08 -2.16 -3.33 0.00 0.00 175.10 171.05 2jbj s PRO 159 N -0.58 2.70 0.19 1.54 0.04 -1.26 -4.95 135.00 132.68 2jbj s PRO 159 Ca 0.59 1.15 -0.32 0.00 0.04 0.00 0.00 61.00 62.46 2jbj s PRO 159 Cb -0.43 -1.95 -0.15 0.00 0.04 0.00 0.00 34.50 32.01 2jbj s PRO 159 CO 0.46 -1.30 1.31 -2.30 0.04 0.00 0.00 177.00 175.20 2jbj n PRO 160 N -3.00 1.60 -3.46 0.56 -0.02 -1.26 -4.96 135.00 124.47 2jbj n PRO 160 Ca 0.09 0.57 -0.11 0.00 -2.02 0.00 0.00 63.50 62.03 2jbj n PRO 160 Cb 0.53 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 2jbj n PRO 160 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2jbj s PHE 161 N -0.02 -0.47 -0.46 6.00 -0.12 -1.26 -4.88 117.98 116.77 2jbj s PHE 161 Ca 0.72 0.32 -0.16 0.00 -0.05 0.00 0.00 56.93 57.77 2jbj s PHE 161 Cb -0.76 0.54 0.06 0.00 -0.63 0.00 0.00 43.02 42.23 2jbj s PHE 161 CO 0.50 -0.72 0.40 -1.12 -0.05 0.00 0.00 175.22 174.22 2jbj s SER 162 N -2.57 6.15 0.29 1.98 0.01 -1.26 -3.67 113.70 114.64 2jbj s SER 162 Ca 0.02 -1.18 -0.30 0.00 1.31 0.00 0.00 55.95 55.80 2jbj s SER 162 Cb -0.01 -2.19 -0.11 0.00 0.21 0.00 0.00 66.02 63.92 2jbj s SER 162 CO -0.10 -0.63 1.58 0.00 0.41 0.00 0.00 173.24 174.49 2jbj s ALA 163 N 1.76 3.73 0.00 1.44 0.00 -1.11 -2.08 121.76 125.49 2jbj s ALA 163 Ca 0.06 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2jbj s ALA 163 Cb -0.23 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2jbj s ALA 163 CO 0.08 -0.97 0.00 1.19 0.00 0.00 0.00 175.76 176.06 2jbj n PHE 164 N 2.10 0.00 -1.51 0.00 3.72 -1.26 -2.53 117.46 117.97 2jbj n PHE 164 Ca 0.08 0.00 -0.53 0.00 -0.05 0.00 0.00 57.45 56.94 2jbj n PHE 164 Cb 0.38 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 38.83 2jbj n PHE 164 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2jbj n SER 165 N -0.00 0.30 -4.71 4.37 2.88 -0.88 -4.45 113.62 111.12 2jbj n SER 165 Ca 0.00 1.14 -0.29 0.00 -1.33 0.00 0.00 58.87 58.39 2jbj n SER 165 Cb 0.00 -1.04 0.15 0.00 -0.75 0.00 0.00 64.21 62.57 2jbj n SER 165 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jbj s PRO 166 N -0.24 1.08 0.49 -1.46 0.04 -1.26 -4.81 135.00 128.84 2jbj s PRO 166 Ca 0.80 0.73 -0.20 0.00 0.04 0.00 0.00 61.00 62.37 2jbj s PRO 166 Cb -1.06 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 31.61 2jbj s PRO 166 CO 0.54 -2.34 1.02 -0.65 0.04 0.00 0.00 177.00 175.62 2jbj s GLN 167 N -4.96 3.81 0.00 4.56 -0.21 -1.26 -4.53 119.66 117.07 2jbj s GLN 167 Ca 0.64 1.28 0.00 0.00 0.02 0.00 0.00 55.36 57.30 2jbj s GLN 167 Cb -0.18 -2.10 0.00 0.00 1.00 0.00 0.00 33.01 31.73 2jbj s GLN 167 CO 0.57 -0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.74 2jbj n GLY 168 N -0.47 1.50 2.69 3.09 0.00 0.63 -4.89 105.19 107.74 2jbj n GLY 168 Ca 0.09 -0.76 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 2jbj n GLY 168 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jbj n MET 169 N -0.38 1.70 -2.17 1.61 2.81 -1.26 0.13 117.12 119.56 2jbj n MET 169 Ca 0.00 -3.50 -0.32 0.00 -1.81 0.00 0.00 57.70 52.07 2jbj n MET 169 Cb 0.00 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 30.97 2jbj n MET 169 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2jbj s PRO 170 N -3.48 3.70 0.04 0.03 0.04 -1.24 -4.69 135.00 129.40 2jbj s PRO 170 Ca 0.30 0.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.27 2jbj s PRO 170 Cb 0.39 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.81 2jbj s PRO 170 CO -0.01 -0.49 0.02 -1.83 0.04 0.00 0.00 177.00 174.74 2jbj s GLU 171 N -4.36 0.52 0.00 4.56 -1.05 -1.25 -0.90 118.70 116.21 2jbj s GLU 171 Ca 0.59 -0.86 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 2jbj s GLU 171 Cb -0.12 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 2jbj s GLU 171 CO 0.39 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.90 2jbj n GLY 172 N 0.79 -1.06 3.87 -3.83 0.00 -0.54 -4.97 105.19 99.46 2jbj n GLY 172 Ca -0.19 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 2jbj n GLY 172 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jbj s ASP 173 N -4.00 6.60 -0.02 1.61 1.01 -1.26 -1.93 116.67 118.68 2jbj s ASP 173 Ca 0.00 1.02 -0.10 0.00 0.71 0.00 0.00 52.55 54.18 2jbj s ASP 173 Cb 0.00 -2.27 -0.05 0.00 1.01 0.00 0.00 42.92 41.61 2jbj s ASP 173 CO 0.00 -0.21 0.30 -0.22 0.21 0.00 0.00 175.17 175.25 2jbj s LEU 174 N -3.24 4.41 -0.08 1.23 2.96 -1.26 -1.10 118.68 121.60 2jbj s LEU 174 Ca 0.49 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 55.13 2jbj s LEU 174 Cb -0.11 -2.50 0.02 0.00 0.50 0.00 0.00 46.19 44.11 2jbj s LEU 174 CO 0.24 0.32 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.82 2jbj s VAL 175 N -1.15 0.91 -0.06 1.68 1.01 -0.20 -1.80 120.40 120.79 2jbj s VAL 175 Ca 0.23 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 2jbj s VAL 175 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2jbj s VAL 175 CO 0.12 0.33 0.63 -0.47 0.00 0.00 0.00 175.10 175.71 2jbj s TYR 176 N 1.26 3.59 -0.11 5.22 5.04 -0.64 -0.92 117.35 130.78 2jbj s TYR 176 Ca -0.04 1.17 0.16 0.00 -2.44 0.00 0.00 57.07 55.92 2jbj s TYR 176 Cb -0.14 -2.71 0.25 0.00 0.35 0.00 0.00 41.96 39.71 2jbj s TYR 176 CO -0.03 0.16 1.13 1.33 -1.34 0.00 0.00 175.55 176.81 2jbj n VAL 177 N 3.53 1.62 0.00 3.14 0.24 -0.85 -4.72 118.33 121.29 2jbj n VAL 177 Ca -0.04 -1.97 0.00 0.00 -2.04 0.00 0.00 64.34 60.29 2jbj n VAL 177 Cb 0.51 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 2jbj n VAL 177 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2jbj n ASN 178 N -1.22 0.00 -0.58 -1.34 5.15 -1.26 -1.61 115.26 114.40 2jbj n ASN 178 Ca 0.14 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.22 2jbj n ASN 178 Cb 0.65 0.00 0.37 0.00 -0.53 0.00 0.00 39.78 40.27 2jbj n ASN 178 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2jbj n TYR 179 N 13.88 0.22 -2.12 1.20 4.01 -1.26 -0.47 117.16 132.61 2jbj n TYR 179 Ca 0.00 -0.11 -0.18 0.00 -0.16 0.00 0.00 57.90 57.45 2jbj n TYR 179 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 2jbj n TYR 179 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jbj n ALA 180 N 0.38 -0.54 -1.03 -0.72 0.00 -0.63 -4.81 120.51 113.17 2jbj n ALA 180 Ca 0.16 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 2jbj n ALA 180 Cb 0.34 -1.93 0.12 0.00 0.00 0.00 0.00 19.45 17.98 2jbj n ALA 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jbj s ARG 181 N -4.55 1.74 0.23 0.00 0.52 -1.26 -4.24 118.95 111.39 2jbj s ARG 181 Ca 0.00 1.33 -0.07 0.00 -0.52 0.00 0.00 55.73 56.47 2jbj s ARG 181 Cb 0.00 -1.83 0.38 0.00 0.52 0.00 0.00 34.95 34.02 2jbj s ARG 181 CO 0.00 -2.06 1.73 1.15 0.02 0.00 0.00 175.30 176.14 2jbj h THR 182 N -1.44 0.68 -0.50 0.02 2.02 -1.94 -1.71 112.91 110.05 2jbj h THR 182 Ca -0.43 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 2jbj h THR 182 Cb 1.25 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2jbj h THR 182 CO 0.47 0.07 0.06 1.05 0.37 0.00 0.00 175.52 177.55 2jbj h GLU 183 N 0.40 0.84 -0.20 6.66 9.09 -1.99 -0.36 114.58 129.03 2jbj h GLU 183 Ca 0.37 -0.24 0.05 0.00 0.05 0.00 0.00 59.36 59.59 2jbj h GLU 183 Cb 0.53 -0.09 -0.07 0.00 -1.65 0.00 0.00 28.75 27.47 2jbj h GLU 183 CO -0.38 0.85 -0.40 -0.44 0.05 0.00 0.00 179.01 178.69 2jbj h ASP 184 N 0.72 -1.28 0.30 3.06 3.32 -1.84 0.13 116.42 120.83 2jbj h ASP 184 Ca 0.15 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 2jbj h ASP 184 Cb 0.43 0.54 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 2jbj h ASP 184 CO 0.01 -0.40 -0.08 -0.26 -1.72 0.00 0.00 179.24 176.80 2jbj h PHE 185 N -0.43 0.00 0.08 4.55 -1.00 -1.19 -2.54 116.94 116.41 2jbj h PHE 185 Ca 0.10 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 2jbj h PHE 185 Cb 0.60 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.16 2jbj h PHE 185 CO -0.50 0.08 -0.04 0.74 -1.61 0.00 0.00 178.31 176.97 2jbj h PHE 186 N 0.00 -0.10 -0.12 -0.55 0.04 0.03 -1.80 116.94 114.43 2jbj h PHE 186 Ca -0.00 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.80 2jbj h PHE 186 Cb 0.25 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 2jbj h PHE 186 CO 0.00 0.30 0.25 -0.22 -0.60 0.00 0.00 178.31 178.04 2jbj h LYS 187 N -0.54 0.00 0.00 1.51 1.63 -0.48 0.43 116.57 119.13 2jbj h LYS 187 Ca -0.01 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.41 2jbj h LYS 187 Cb 0.45 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.01 2jbj h LYS 187 CO 0.02 0.00 -2.41 -0.11 -3.45 0.00 0.00 179.45 173.50 2jbj n LEU 188 N -3.35 1.82 0.06 5.20 7.94 -0.98 -1.26 117.00 126.43 2jbj n LEU 188 Ca 0.00 -0.06 0.09 0.00 -1.11 0.00 0.00 56.01 54.93 2jbj n LEU 188 Cb 0.35 -0.37 -0.07 0.00 0.53 0.00 0.00 43.42 43.86 2jbj n LEU 188 CO 0.21 0.76 -0.28 -0.62 -1.11 0.00 0.00 177.39 176.35 2jbj n GLU 189 N -3.08 0.63 -0.08 1.96 4.71 -0.69 -1.13 120.64 122.97 2jbj n GLU 189 Ca -0.40 0.04 -0.11 0.00 -0.01 0.00 0.00 57.16 56.68 2jbj n GLU 189 Cb 1.06 -1.73 -0.04 0.00 -1.01 0.00 0.00 31.44 29.72 2jbj n GLU 189 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2jbj n ARG 190 N -2.59 0.46 0.02 3.49 1.74 0.12 -4.25 116.66 115.65 2jbj n ARG 190 Ca -0.04 0.19 -0.01 0.00 -0.77 0.00 0.00 57.85 57.22 2jbj n ARG 190 Cb 0.62 -1.31 -0.00 0.00 -1.02 0.00 0.00 32.46 30.75 2jbj n ARG 190 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2jbj h ASP 191 N -0.86 -0.05 0.75 0.55 3.32 -1.55 -3.38 116.42 115.21 2jbj h ASP 191 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2jbj h ASP 191 Cb 0.99 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2jbj h ASP 191 CO -0.07 0.01 0.00 0.24 -1.72 0.00 0.00 179.24 177.70 2jbj h MET 192 N -0.15 0.00 0.00 3.56 2.86 -1.32 -3.47 114.93 116.41 2jbj h MET 192 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2jbj h MET 192 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2jbj h MET 192 CO 0.01 0.00 0.00 0.36 1.06 0.00 0.00 176.91 178.34 2jbj n LYS 193 N -2.99 -0.62 -1.61 1.72 0.00 -0.96 -4.99 118.16 108.71 2jbj n LYS 193 Ca -0.00 0.16 -0.33 0.00 -0.00 0.00 0.00 58.31 58.13 2jbj n LYS 193 Cb 0.24 -3.85 0.06 0.00 -0.00 0.00 0.00 35.03 31.49 2jbj n LYS 193 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2jbj s ILE 194 N -1.86 3.00 -0.15 0.58 1.09 -0.28 -4.95 121.20 118.63 2jbj s ILE 194 Ca 0.00 0.46 -0.03 0.00 -1.10 0.00 0.00 60.65 59.98 2jbj s ILE 194 Cb 0.00 -2.96 0.05 0.00 -1.06 0.00 0.00 42.46 38.48 2jbj s ILE 194 CO 0.00 -0.30 0.03 0.21 -0.10 0.00 0.00 174.94 174.78 2jbj s ASN 195 N -2.53 2.41 0.00 3.58 2.47 -1.26 -4.06 114.94 115.54 2jbj s ASN 195 Ca 0.68 -0.55 0.30 0.00 0.42 0.00 0.00 52.86 53.71 2jbj s ASN 195 Cb -0.22 -0.50 1.57 0.00 -1.45 0.00 0.00 41.25 40.65 2jbj s ASN 195 CO 0.44 -0.27 2.06 0.00 -3.72 0.00 0.00 177.10 175.60 2jbj s SER 197 N -2.29 6.42 0.00 0.00 0.15 -1.22 -1.70 113.70 115.05 2jbj s SER 197 Ca 0.37 2.90 0.00 0.00 0.70 0.00 0.00 55.95 59.92 2jbj s SER 197 Cb 0.21 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2jbj s SER 197 CO 0.42 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2jbj n GLY 198 N 2.32 0.30 3.84 9.45 0.00 -1.04 -4.92 105.19 115.14 2jbj n GLY 198 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2jbj n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbj s LYS 199 N -0.38 3.22 -0.10 1.61 3.01 -0.69 -4.49 119.74 121.91 2jbj s LYS 199 Ca 0.00 0.87 -0.15 0.00 -1.01 0.00 0.00 55.97 55.68 2jbj s LYS 199 Cb 0.00 -2.03 -0.05 0.00 -1.01 0.00 0.00 37.83 34.75 2jbj s LYS 199 CO 0.00 -0.88 0.38 0.42 0.51 0.00 0.00 175.35 175.78 2jbj s ILE 200 N -3.10 5.20 0.02 2.17 1.01 -0.26 0.05 121.20 126.29 2jbj s ILE 200 Ca 0.57 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.91 2jbj s ILE 200 Cb -0.13 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 2jbj s ILE 200 CO 0.55 0.42 0.26 0.68 0.00 0.00 0.00 174.94 176.85 2jbj s VAL 201 N 0.09 5.31 -0.05 2.92 -7.23 -0.40 -1.03 120.40 120.01 2jbj s VAL 201 Ca 0.21 0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.48 2jbj s VAL 201 Cb -0.15 -3.57 0.02 0.00 0.56 0.00 0.00 36.38 33.24 2jbj s VAL 201 CO 0.08 0.31 -0.06 -0.51 -0.31 0.00 0.00 175.10 174.62 2jbj s ILE 202 N -1.35 0.67 0.02 -0.62 2.07 -0.10 -0.99 121.20 120.90 2jbj s ILE 202 Ca 0.29 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 2jbj s ILE 202 Cb -0.13 -0.67 -0.02 0.00 0.13 0.00 0.00 42.46 41.77 2jbj s ILE 202 CO 0.18 0.25 -0.03 0.00 -1.91 0.00 0.00 174.94 173.44 2jbj s ALA 203 N 0.87 0.14 0.19 1.50 0.00 -0.34 -2.01 121.76 122.11 2jbj s ALA 203 Ca -0.12 -0.46 -0.19 0.00 0.00 0.00 0.00 51.96 51.20 2jbj s ALA 203 Cb -0.15 0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.99 2jbj s ALA 203 CO 0.01 -0.10 0.67 -0.98 0.00 0.00 0.00 175.76 175.36 2jbj s ARG 204 N -1.08 4.20 0.81 0.00 1.70 0.38 -2.07 118.95 122.88 2jbj s ARG 204 Ca -0.11 0.78 -0.14 0.00 -0.47 0.00 0.00 55.73 55.79 2jbj s ARG 204 Cb -0.07 -2.95 0.05 0.00 -0.57 0.00 0.00 34.95 31.41 2jbj s ARG 204 CO -0.01 0.45 0.92 0.66 -1.08 0.00 0.00 175.30 176.24 2jbj n TYR 205 N 0.88 0.36 0.00 5.89 0.53 -0.34 -4.37 117.16 120.11 2jbj n TYR 205 Ca -0.04 0.37 0.00 0.00 -1.02 0.00 0.00 57.90 57.21 2jbj n TYR 205 Cb 0.51 -2.01 0.00 0.00 -1.03 0.00 0.00 39.34 36.81 2jbj n TYR 205 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2jbj n GLY 206 N 0.95 3.23 4.92 2.72 0.00 -1.26 -4.77 105.19 110.98 2jbj n GLY 206 Ca 0.12 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2jbj n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jbj n LYS 207 N -0.87 0.00 -4.06 1.61 4.76 -1.26 -4.81 118.16 113.52 2jbj n LYS 207 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 2jbj n LYS 207 Cb 0.00 -0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 2jbj n LYS 207 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2jbj s VAL 208 N 0.00 0.36 0.29 -0.18 -7.23 -1.26 -4.82 120.40 107.57 2jbj s VAL 208 Ca 0.00 -1.32 -0.29 0.00 -1.81 0.00 0.00 61.98 58.56 2jbj s VAL 208 Cb 0.00 -0.87 -0.13 0.00 0.56 0.00 0.00 36.38 35.94 2jbj s VAL 208 CO 0.00 -0.63 1.19 0.33 -0.31 0.00 0.00 175.10 175.67 2jbj n PHE 209 N 0.97 1.79 0.21 2.82 7.35 -1.26 -4.88 117.46 124.46 2jbj n PHE 209 Ca -0.20 0.61 0.09 0.00 -0.76 0.00 0.00 57.45 57.19 2jbj n PHE 209 Cb 0.57 -2.35 0.44 0.00 0.35 0.00 0.00 39.48 38.49 2jbj n PHE 209 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 2jbj h ARG 210 N 2.62 0.00 -0.83 -4.13 0.11 -1.95 -1.93 114.38 108.27 2jbj h ARG 210 Ca -0.43 0.00 0.10 0.00 0.10 0.00 0.00 59.98 59.75 2jbj h ARG 210 Cb 1.31 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.31 2jbj h ARG 210 CO 0.64 0.26 0.47 0.78 0.10 0.00 0.00 179.97 182.23 2jbj h GLY 211 N 1.98 1.29 0.93 0.08 0.00 -1.80 -2.26 103.07 103.29 2jbj h GLY 211 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2jbj h GLY 211 CO 0.03 0.12 0.10 3.43 0.00 0.00 0.00 176.54 180.22 2jbj h ASN 212 N 0.78 0.24 -0.59 0.19 4.21 -1.65 -1.21 115.58 117.56 2jbj h ASN 212 Ca 0.40 -0.10 0.11 0.00 1.21 0.00 0.00 56.30 57.93 2jbj h ASN 212 Cb 0.38 -0.06 -0.12 0.00 -1.12 0.00 0.00 38.32 37.40 2jbj h ASN 212 CO -0.25 0.27 -0.25 0.11 -1.29 0.00 0.00 177.43 176.02 2jbj h LYS 213 N 0.19 -0.09 -0.51 0.81 1.57 -1.52 0.59 116.57 117.61 2jbj h LYS 213 Ca 0.07 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2jbj h LYS 213 Cb 0.09 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2jbj h LYS 213 CO -0.01 -0.06 0.05 0.28 -0.57 0.00 0.00 179.45 179.13 2jbj h VAL 214 N -0.10 1.26 -0.32 0.50 2.07 -1.21 0.17 116.25 118.62 2jbj h VAL 214 Ca 0.26 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2jbj h VAL 214 Cb 0.51 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2jbj h VAL 214 CO -0.65 0.36 0.19 0.50 0.02 0.00 0.00 177.57 177.99 2jbj h LYS 215 N 0.74 0.44 0.27 1.57 3.64 -0.61 0.48 116.57 123.10 2jbj h LYS 215 Ca 0.15 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2jbj h LYS 215 Cb 0.46 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2jbj h LYS 215 CO 0.02 0.34 -0.26 -0.91 -2.27 0.00 0.00 179.45 176.37 2jbj h ASN 216 N 0.41 -0.70 -0.44 4.20 2.35 0.53 -1.23 115.58 120.70 2jbj h ASN 216 Ca 0.11 0.06 0.09 0.00 -0.55 0.00 0.00 56.30 56.02 2jbj h ASN 216 Cb 0.02 0.24 -0.09 0.00 0.05 0.00 0.00 38.32 38.54 2jbj h ASN 216 CO -0.02 -0.38 -0.13 0.00 -1.65 0.00 0.00 177.43 175.25 2jbj h ALA 217 N 0.08 0.26 -0.79 -0.83 0.00 -0.56 -0.62 119.26 116.80 2jbj h ALA 217 Ca -0.01 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2jbj h ALA 217 Cb 0.51 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2jbj h ALA 217 CO -0.05 -0.47 0.47 0.37 0.00 0.00 0.00 179.25 179.57 2jbj h GLN 218 N -0.02 0.83 0.00 0.00 4.15 0.23 -2.05 115.11 118.25 2jbj h GLN 218 Ca 0.21 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.44 2jbj h GLN 218 Cb 0.35 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 2jbj h GLN 218 CO -0.46 0.55 -0.69 -0.07 -1.93 0.00 0.00 178.83 176.23 2jbj h LEU 219 N 0.86 0.00 0.00 -2.39 3.38 -0.14 -2.71 115.31 114.32 2jbj h LEU 219 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2jbj h LEU 219 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jbj h LEU 219 CO -0.18 0.69 0.00 0.00 0.09 0.00 0.00 178.44 179.04 2jbj n ALA 220 N -2.40 2.47 0.00 1.53 0.00 -0.34 -4.89 120.51 116.87 2jbj n ALA 220 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2jbj n ALA 220 Cb 0.68 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2jbj n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jbj n GLY 221 N 0.57 0.11 3.38 0.00 0.00 -1.02 -3.41 105.19 104.82 2jbj n GLY 221 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2jbj n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jbj n ALA 222 N -1.99 -2.04 0.77 4.61 0.00 -1.04 -2.50 120.51 118.33 2jbj n ALA 222 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.39 2jbj n ALA 222 Cb 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 2jbj n ALA 222 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2jbj n LYS 223 N 0.31 1.58 -3.54 0.00 0.00 0.11 -4.76 118.16 111.86 2jbj n LYS 223 Ca 0.09 -0.69 -0.07 0.00 -0.00 0.00 0.00 58.31 57.64 2jbj n LYS 223 Cb 0.49 -1.31 -0.02 0.00 -0.00 0.00 0.00 35.03 34.19 2jbj n LYS 223 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2jbj s GLY 224 N -2.12 -0.42 -0.02 2.58 0.00 -1.24 -4.14 107.32 101.96 2jbj s GLY 224 Ca 0.13 0.93 0.02 0.00 0.00 0.00 0.00 44.72 45.81 2jbj s GLY 224 CO 0.48 0.30 -0.09 0.14 0.00 0.00 0.00 173.10 173.94 2jbj s VAL 225 N -3.08 0.74 -0.12 1.40 1.01 0.35 -1.28 120.40 119.43 2jbj s VAL 225 Ca 0.06 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2jbj s VAL 225 Cb -0.01 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.72 2jbj s VAL 225 CO -0.07 0.23 -0.22 -0.63 0.00 0.00 0.00 175.10 174.41 2jbj s ILE 226 N 0.09 1.97 0.07 2.22 1.01 -0.16 -1.92 121.20 124.47 2jbj s ILE 226 Ca -0.01 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.76 2jbj s ILE 226 Cb -0.07 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 2jbj s ILE 226 CO 0.00 0.53 -0.11 -0.76 0.00 0.00 0.00 174.94 174.61 2jbj s LEU 227 N 0.65 2.98 0.10 2.97 1.43 -0.26 -1.20 118.68 125.35 2jbj s LEU 227 Ca -0.12 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 2jbj s LEU 227 Cb -0.16 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.32 2jbj s LEU 227 CO 0.02 0.22 0.34 -0.72 0.23 0.00 0.00 176.35 176.44 2jbj s TYR 228 N -1.10 -0.11 -0.25 0.29 -0.85 -0.88 0.07 117.35 114.52 2jbj s TYR 228 Ca 0.19 -0.21 -0.16 0.00 -0.52 0.00 0.00 57.07 56.37 2jbj s TYR 228 Cb -0.11 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.36 2jbj s TYR 228 CO 0.10 -0.64 0.42 -1.12 -1.52 0.00 0.00 175.55 172.80 2jbj s SER 229 N -2.72 6.35 -0.05 -0.18 0.01 -1.12 -1.20 113.70 114.79 2jbj s SER 229 Ca 0.02 0.42 -0.13 0.00 1.31 0.00 0.00 55.95 57.57 2jbj s SER 229 Cb 0.02 -2.24 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 2jbj s SER 229 CO -0.11 -0.18 0.34 -0.62 0.41 0.00 0.00 173.24 173.08 2jbj s ASP 230 N 1.44 6.66 0.58 2.44 3.68 -1.26 -3.55 116.67 126.66 2jbj s ASP 230 Ca 0.18 0.79 0.30 0.00 2.13 0.00 0.00 52.55 55.95 2jbj s ASP 230 Cb -0.15 -2.20 1.76 0.00 -1.45 0.00 0.00 42.92 40.87 2jbj s ASP 230 CO 0.09 0.30 2.21 1.55 0.13 0.00 0.00 175.17 179.45 2jbj h PRO 231 N 5.13 0.00 -0.64 4.34 0.13 -1.93 0.33 132.00 139.37 2jbj h PRO 231 Ca -0.50 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 2jbj h PRO 231 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2jbj h PRO 231 CO 0.63 0.03 0.29 0.00 -0.23 0.00 0.00 178.00 178.73 2jbj h ALA 232 N 1.97 0.85 0.01 -0.56 0.00 -1.92 0.65 119.26 120.25 2jbj h ALA 232 Ca -0.00 0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 2jbj h ALA 232 Cb 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2jbj h ALA 232 CO 0.00 -0.11 -1.36 -0.44 0.00 0.00 0.00 179.25 177.35 2jbj h ASP 233 N 0.51 0.03 0.00 0.00 3.32 -1.60 -3.41 116.42 115.27 2jbj h ASP 233 Ca 0.31 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2jbj h ASP 233 Cb 0.33 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2jbj h ASP 233 CO -0.26 1.04 -0.01 -1.22 -1.72 0.00 0.00 179.24 177.07 2jbj n TYR 234 N -3.23 0.00 -3.64 4.55 4.02 -0.01 -4.87 117.16 113.98 2jbj n TYR 234 Ca -0.09 -0.71 -0.29 0.00 -0.01 0.00 0.00 57.90 56.81 2jbj n TYR 234 Cb 1.00 -0.09 -0.15 0.00 -0.02 0.00 0.00 39.34 40.07 2jbj n TYR 234 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2jbj s PHE 235 N -1.81 0.85 0.03 -0.72 5.36 0.20 -3.23 117.98 118.67 2jbj s PHE 235 Ca 0.14 -1.07 -0.30 0.00 -0.96 0.00 0.00 56.93 54.74 2jbj s PHE 235 Cb 0.13 -1.15 -0.04 0.00 -0.34 0.00 0.00 43.02 41.62 2jbj s PHE 235 CO 0.01 -0.77 1.08 0.00 -1.46 0.00 0.00 175.22 174.08 2jbj s ALA 236 N 1.91 3.26 0.33 11.12 0.00 -1.26 -4.69 121.76 132.43 2jbj s ALA 236 Ca 0.07 0.68 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 2jbj s ALA 236 Cb -0.17 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.46 2jbj s ALA 236 CO -0.25 -0.32 1.55 -2.14 0.00 0.00 0.00 175.76 174.60 2jbj s PRO 237 N 1.01 4.11 0.00 0.00 0.02 -1.26 -2.75 135.00 136.14 2jbj s PRO 237 Ca 0.55 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.15 2jbj s PRO 237 Cb -0.25 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2jbj s PRO 237 CO 0.29 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 2jbj n GLY 238 N 1.44 0.54 3.44 0.52 0.00 -1.26 -5.03 105.19 104.85 2jbj n GLY 238 Ca 0.05 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2jbj n GLY 238 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jbj s VAL 239 N -2.00 2.57 0.18 1.61 -7.23 -1.11 -5.13 120.40 109.29 2jbj s VAL 239 Ca 0.00 -1.59 -0.08 0.00 -1.81 0.00 0.00 61.98 58.51 2jbj s VAL 239 Cb 0.00 -2.15 -0.06 0.00 0.56 0.00 0.00 36.38 34.72 2jbj s VAL 239 CO 0.00 0.12 0.47 -1.59 -0.31 0.00 0.00 175.10 173.79 2jbj s LYS 240 N -2.03 3.73 0.32 4.82 0.00 -1.26 -4.85 119.74 120.47 2jbj s LYS 240 Ca 0.16 0.12 -0.24 0.00 0.00 0.00 0.00 55.97 56.01 2jbj s LYS 240 Cb -0.10 -2.76 -0.16 0.00 0.00 0.00 0.00 37.83 34.81 2jbj s LYS 240 CO 0.08 0.40 0.37 0.43 0.00 0.00 0.00 175.35 176.62 2jbj n SER 241 N 0.05 -1.75 -4.72 0.03 7.64 -1.26 -2.02 113.62 111.58 2jbj n SER 241 Ca -0.01 0.97 -0.41 0.00 1.01 0.00 0.00 58.87 60.43 2jbj n SER 241 Cb 0.52 -0.96 0.02 0.00 -1.01 0.00 0.00 64.21 62.77 2jbj n SER 241 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jbj n TYR 242 N -0.54 2.34 0.69 1.43 9.36 -0.44 -1.72 117.16 128.28 2jbj n TYR 242 Ca 0.14 0.48 0.05 0.00 3.32 0.00 0.00 57.90 61.88 2jbj n TYR 242 Cb 0.34 -2.41 0.16 0.00 -0.63 0.00 0.00 39.34 36.80 2jbj n TYR 242 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2jbj n PRO 243 N -0.07 2.08 0.00 2.98 -0.04 -1.26 -4.80 135.00 133.89 2jbj n PRO 243 Ca 0.06 -1.27 0.04 0.00 -0.04 0.00 0.00 63.50 62.28 2jbj n PRO 243 Cb 0.40 -1.44 0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2jbj n PRO 243 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jbj n ASP 244 N 0.42 1.49 -1.13 3.54 8.00 -0.70 -5.02 116.55 123.15 2jbj n ASP 244 Ca 0.12 -1.24 -0.00 0.00 0.71 0.00 0.00 54.79 54.37 2jbj n ASP 244 Cb 0.40 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2jbj n ASP 244 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jbj n GLY 245 N 0.48 1.18 1.58 0.44 0.00 -0.97 -4.62 105.19 103.29 2jbj n GLY 245 Ca 0.04 -0.92 0.04 0.00 0.00 0.00 0.00 46.02 45.18 2jbj n GLY 245 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2jbj n TRP 246 N -0.04 1.78 -2.95 1.61 4.27 -0.95 -2.81 117.44 118.35 2jbj n TRP 246 Ca -0.00 -0.91 -0.23 0.00 -3.89 0.00 0.00 57.50 52.47 2jbj n TRP 246 Cb 0.03 -0.49 0.01 0.00 -1.36 0.00 0.00 31.31 29.50 2jbj n TRP 246 CO 0.00 0.00 0.00 -0.80 -2.29 0.00 0.00 177.69 174.60 2jbj s ASN 247 N -1.26 5.81 -0.23 -0.67 0.01 -0.85 -4.25 114.94 113.50 2jbj s ASN 247 Ca 0.51 0.30 -0.20 0.00 -0.71 0.00 0.00 52.86 52.76 2jbj s ASN 247 Cb 0.40 -1.53 -0.02 0.00 0.41 0.00 0.00 41.25 40.51 2jbj s ASN 247 CO 0.13 -0.73 0.61 -0.22 -1.51 0.00 0.00 177.10 175.38 2jbj s LEU 248 N -4.58 4.10 0.81 0.60 2.96 -1.20 -1.32 118.68 120.05 2jbj s LEU 248 Ca 0.49 0.74 -0.12 0.00 -0.22 0.00 0.00 54.13 55.02 2jbj s LEU 248 Cb -0.10 -2.84 0.09 0.00 0.50 0.00 0.00 46.19 43.83 2jbj s LEU 248 CO 0.38 -0.31 1.15 -2.84 -1.32 0.00 0.00 176.35 173.41 2jbj s PRO 249 N 2.18 1.72 0.09 0.98 0.02 -1.26 -4.88 135.00 133.85 2jbj s PRO 249 Ca 0.27 1.51 0.18 0.00 0.02 0.00 0.00 61.00 62.98 2jbj s PRO 249 Cb -0.16 -1.81 0.75 0.00 0.02 0.00 0.00 34.50 33.31 2jbj s PRO 249 CO 0.09 -2.10 1.56 0.41 -0.33 0.00 0.00 177.00 176.63 2jbj n GLY 250 N -0.11 -1.11 0.05 0.52 0.00 -1.26 -1.39 105.19 101.89 2jbj n GLY 250 Ca 0.12 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.25 2jbj n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jbj n GLY 251 N 0.04 -1.07 3.77 -0.02 0.00 -1.26 -2.24 105.19 104.40 2jbj n GLY 251 Ca 0.03 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 2jbj n GLY 251 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jbj s GLY 252 N -2.92 2.99 0.01 -0.02 0.00 -0.48 -4.57 107.32 102.33 2jbj s GLY 252 Ca 0.12 1.07 0.03 0.00 0.00 0.00 0.00 44.72 45.95 2jbj s GLY 252 CO 0.71 1.67 -0.11 0.14 0.00 0.00 0.00 173.10 175.51 2jbj s VAL 253 N -1.22 0.84 -0.28 1.40 1.01 -1.26 -3.51 120.40 117.39 2jbj s VAL 253 Ca 0.49 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 2jbj s VAL 253 Cb -0.35 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2jbj s VAL 253 CO 0.45 0.09 0.57 -1.58 0.00 0.00 0.00 175.10 174.63 2jbj s GLN 254 N -0.64 4.00 1.03 2.72 0.74 -1.26 -4.03 119.66 122.22 2jbj s GLN 254 Ca 0.02 0.32 -0.15 0.00 0.05 0.00 0.00 55.36 55.60 2jbj s GLN 254 Cb -0.06 -3.68 0.21 0.00 1.10 0.00 0.00 33.01 30.58 2jbj s GLN 254 CO 0.00 -0.45 1.14 1.03 -0.55 0.00 0.00 175.29 176.47 2jbj s ARG 255 N 2.43 0.13 0.00 1.67 0.52 -0.59 -4.80 118.95 118.31 2jbj s ARG 255 Ca 0.23 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 2jbj s ARG 255 Cb -0.15 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.58 2jbj s ARG 255 CO 0.10 -2.85 0.00 0.41 0.02 0.00 0.00 175.30 172.98 2jbj n GLY 256 N -1.77 4.13 3.80 -3.53 0.00 -1.24 -4.84 105.19 101.75 2jbj n GLY 256 Ca 0.09 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 2jbj n GLY 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbj s ASN 257 N 0.00 5.70 -0.10 1.61 2.20 -1.26 -2.76 114.94 120.33 2jbj s ASN 257 Ca 0.00 1.81 0.15 0.00 -0.94 0.00 0.00 52.86 53.88 2jbj s ASN 257 Cb 0.00 -2.53 0.31 0.00 -2.00 0.00 0.00 41.25 37.03 2jbj s ASN 257 CO 0.00 -1.23 1.15 2.30 -2.94 0.00 0.00 177.10 176.38 2jbj n ILE 258 N -2.16 1.19 -1.69 0.54 -5.35 -1.05 -4.38 119.36 106.46 2jbj n ILE 258 Ca 0.09 -1.86 -0.34 0.00 -0.27 0.00 0.00 62.75 60.37 2jbj n ILE 258 Cb 0.53 0.19 0.06 0.00 -1.74 0.00 0.00 39.64 38.68 2jbj n ILE 258 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2jbj s LEU 259 N -1.77 3.44 -0.72 7.28 1.43 -1.26 -4.58 118.68 122.50 2jbj s LEU 259 Ca 0.28 2.27 0.01 0.00 -1.03 0.00 0.00 54.13 55.66 2jbj s LEU 259 Cb 0.28 -4.58 0.18 0.00 0.03 0.00 0.00 46.19 42.10 2jbj s LEU 259 CO -0.05 -1.90 0.54 0.20 0.23 0.00 0.00 176.35 175.37 2jbj s ASN 260 N -2.04 5.22 0.12 2.29 0.01 -0.00 -4.56 114.94 115.97 2jbj s ASN 260 Ca 0.73 -3.47 0.14 0.00 -0.71 0.00 0.00 52.86 49.56 2jbj s ASN 260 Cb -0.27 -1.78 -0.10 0.00 0.41 0.00 0.00 41.25 39.51 2jbj s ASN 260 CO 0.40 -0.20 1.05 -0.07 -1.51 0.00 0.00 177.10 176.77 2jbj h LEU 261 N 6.12 0.00 -0.89 0.60 3.38 -1.88 -3.32 115.31 119.32 2jbj h LEU 261 Ca 0.08 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.57 2jbj h LEU 261 Cb 0.84 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 2jbj h LEU 261 CO 0.76 0.66 -0.76 0.59 0.09 0.00 0.00 178.44 179.79 2jbj n ASN 262 N -3.07 -4.64 0.00 -0.43 3.02 -1.26 -2.22 115.26 106.66 2jbj n ASN 262 Ca -0.06 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 2jbj n ASN 262 Cb 0.85 -3.72 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 2jbj n ASN 262 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jbj n GLY 263 N -1.63 0.78 0.24 7.41 0.00 -1.26 -4.28 105.19 106.44 2jbj n GLY 263 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 2jbj n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jbj h ALA 264 N 0.00 1.18 -0.01 4.61 0.00 -1.81 -3.47 119.26 119.76 2jbj h ALA 264 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jbj h ALA 264 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jbj h ALA 264 CO 0.00 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2jbj n GLY 265 N -0.33 0.01 3.69 0.00 0.00 -1.26 -4.41 105.19 102.90 2jbj n GLY 265 Ca -0.01 -1.02 -0.63 0.00 0.00 0.00 0.00 46.02 44.36 2jbj n GLY 265 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jbj n ASP 266 N 2.61 1.68 -0.38 1.61 2.03 -1.26 -4.83 116.55 118.01 2jbj n ASP 266 Ca 0.00 1.09 0.38 0.00 0.52 0.00 0.00 54.79 56.78 2jbj n ASP 266 Cb 0.00 -1.00 0.75 0.00 -0.72 0.00 0.00 41.12 40.16 2jbj n ASP 266 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2jbj h PRO 267 N 6.37 0.00 0.00 -0.67 0.11 -1.88 -2.86 132.00 133.08 2jbj h PRO 267 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2jbj h PRO 267 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2jbj h PRO 267 CO 0.98 0.00 -1.23 1.28 -0.21 0.00 0.00 178.00 178.82 2jbj n LEU 268 N -4.05 0.56 -2.81 2.35 4.77 -1.26 -1.48 117.00 115.08 2jbj n LEU 268 Ca 0.28 -0.10 -0.19 0.00 -0.03 0.00 0.00 56.01 55.98 2jbj n LEU 268 Cb 1.39 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 42.42 2jbj n LEU 268 CO 0.40 0.07 -0.02 0.35 -1.33 0.00 0.00 177.39 176.85 2jbj n THR 269 N -1.96 1.42 -1.98 -5.08 -2.24 -1.08 -1.11 114.28 102.25 2jbj n THR 269 Ca 0.01 -4.38 -0.42 0.00 -2.27 0.00 0.00 64.05 56.99 2jbj n THR 269 Cb 0.45 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 2jbj n THR 269 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2jbj s PRO 270 N -3.11 4.23 0.00 -0.78 0.04 -1.25 -2.57 135.00 131.55 2jbj s PRO 270 Ca 0.40 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2jbj s PRO 270 Cb 0.38 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2jbj s PRO 270 CO -0.08 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.75 2jbj n GLY 271 N 3.79 2.29 2.98 0.56 0.00 -1.26 -5.04 105.19 108.51 2jbj n GLY 271 Ca 0.14 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2jbj n GLY 271 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jbj s TYR 272 N -2.31 0.19 0.30 1.61 2.02 -1.06 -4.96 117.35 113.13 2jbj s TYR 272 Ca 0.00 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.02 2jbj s TYR 272 Cb 0.00 -0.14 -0.10 0.00 -0.40 0.00 0.00 41.96 41.32 2jbj s TYR 272 CO 0.00 -0.17 1.38 -1.25 -1.57 0.00 0.00 175.55 173.94 2jbj s PRO 273 N -1.22 4.29 -1.26 -1.71 0.04 -1.26 -4.81 135.00 129.07 2jbj s PRO 273 Ca -0.13 2.29 -0.10 0.00 0.04 0.00 0.00 61.00 63.10 2jbj s PRO 273 Cb -0.08 -3.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 2jbj s PRO 273 CO -0.01 -0.33 2.46 0.00 0.04 0.00 0.00 177.00 179.17 2jbj n ALA 274 N 1.38 5.86 -1.14 8.56 0.00 -1.26 -4.72 120.51 129.20 2jbj n ALA 274 Ca 0.03 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.50 2jbj n ALA 274 Cb 0.41 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.58 2jbj n ALA 274 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jbj n ASN 275 N 4.47 0.00 -0.19 0.00 0.23 -1.26 -1.04 115.26 117.47 2jbj n ASN 275 Ca 0.60 -0.82 0.02 0.00 -0.53 0.00 0.00 54.58 53.84 2jbj n ASN 275 Cb 0.23 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.20 2jbj n ASN 275 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2jbj h GLU 276 N 0.00 0.91 -0.34 -3.83 4.39 -1.92 -2.76 114.58 111.03 2jbj h GLU 276 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2jbj h GLU 276 Cb 0.00 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 2jbj h GLU 276 CO 0.00 0.60 0.00 2.48 -1.16 0.00 0.00 179.01 180.93 2jbj n TYR 277 N -4.44 0.76 -1.54 4.33 0.18 -1.26 -5.01 117.16 110.18 2jbj n TYR 277 Ca 0.08 -0.67 -0.45 0.00 1.88 0.00 0.00 57.90 58.74 2jbj n TYR 277 Cb 0.06 -0.17 -0.02 0.00 -0.38 0.00 0.00 39.34 38.83 2jbj n TYR 277 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2jbj n ALA 278 N 0.14 -0.91 -2.58 -3.48 0.00 -1.04 -4.96 120.51 107.68 2jbj n ALA 278 Ca 0.17 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.63 2jbj n ALA 278 Cb 0.67 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 2jbj n ALA 278 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2jbj s TYR 279 N -1.06 3.65 -0.00 0.00 5.04 -1.26 -4.99 117.35 118.73 2jbj s TYR 279 Ca 0.60 0.93 0.08 0.00 -2.44 0.00 0.00 57.07 56.24 2jbj s TYR 279 Cb -0.75 -2.36 -0.02 0.00 0.35 0.00 0.00 41.96 39.17 2jbj s TYR 279 CO 0.59 0.49 -0.25 1.03 -1.34 0.00 0.00 175.55 176.06 2jbj s ARG 280 N -0.50 2.05 0.61 4.97 0.52 -1.26 -4.73 118.95 120.60 2jbj s ARG 280 Ca 0.23 -0.97 -0.19 0.00 -0.52 0.00 0.00 55.73 54.29 2jbj s ARG 280 Cb -0.16 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 33.23 2jbj s ARG 280 CO 0.12 0.55 1.22 0.54 0.02 0.00 0.00 175.30 177.74 2jbj n ARG 281 N 2.22 1.20 -1.50 3.54 1.74 -0.27 -5.00 116.66 118.59 2jbj n ARG 281 Ca -0.16 0.46 -0.34 0.00 -0.77 0.00 0.00 57.85 57.04 2jbj n ARG 281 Cb 0.51 -2.44 0.08 0.00 -1.02 0.00 0.00 32.46 29.60 2jbj n ARG 281 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2jbj s GLY 282 N -1.22 2.29 0.62 -0.13 0.00 -1.26 -4.82 107.32 102.79 2jbj s GLY 282 Ca 0.78 0.80 0.33 0.00 0.00 0.00 0.00 44.72 46.63 2jbj s GLY 282 CO 0.44 1.19 2.19 1.19 0.00 0.00 0.00 173.10 178.12 2jbj h ILE 283 N -0.24 0.33 0.00 0.90 6.09 -1.98 -0.24 117.51 122.37 2jbj h ILE 283 Ca -0.47 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 2jbj h ILE 283 Cb 1.28 0.90 0.00 0.00 0.47 0.00 0.00 36.82 39.48 2jbj h ILE 283 CO 0.51 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.59 2jbj h ALA 284 N 1.84 1.00 -0.33 0.18 0.00 -2.02 -2.45 119.26 117.48 2jbj h ALA 284 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jbj h ALA 284 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jbj h ALA 284 CO -0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 2jbj n GLU 285 N -2.55 2.51 -1.70 0.00 4.71 -0.12 -5.02 120.64 118.47 2jbj n GLU 285 Ca 0.03 -1.97 -0.38 0.00 -0.01 0.00 0.00 57.16 54.84 2jbj n GLU 285 Cb 0.35 -1.29 0.06 0.00 -1.01 0.00 0.00 31.44 29.55 2jbj n GLU 285 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jbj n ALA 286 N 0.64 0.96 -2.61 0.62 0.00 -0.93 -4.95 120.51 114.24 2jbj n ALA 286 Ca 0.12 0.03 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 2jbj n ALA 286 Cb 0.42 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 2jbj n ALA 286 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jbj s VAL 287 N -1.40 4.91 0.00 0.00 1.01 -0.55 -4.51 120.40 119.86 2jbj s VAL 287 Ca 0.78 1.64 0.00 0.00 0.00 0.00 0.00 61.98 64.40 2jbj s VAL 287 Cb -0.40 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 31.85 2jbj s VAL 287 CO 0.44 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.42 2jbj n GLY 288 N 2.83 1.67 3.72 4.51 0.00 -1.25 -4.62 105.19 112.05 2jbj n GLY 288 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2jbj n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jbj s LEU 289 N 0.00 4.37 0.52 0.99 1.43 -1.26 -0.82 118.68 123.91 2jbj s LEU 289 Ca 0.00 2.41 -0.20 0.00 -1.03 0.00 0.00 54.13 55.32 2jbj s LEU 289 Cb 0.00 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.56 2jbj s LEU 289 CO 0.00 -0.71 1.09 -2.16 0.23 0.00 0.00 176.35 174.80 2jbj s PRO 290 N 1.17 3.53 0.00 1.29 0.04 -1.26 -4.96 135.00 134.81 2jbj s PRO 290 Ca 0.66 1.52 0.20 0.00 0.04 0.00 0.00 61.00 63.42 2jbj s PRO 290 Cb -0.39 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.14 2jbj s PRO 290 CO 0.30 -0.69 1.00 -1.13 0.04 0.00 0.00 177.00 176.53 2jbj n SER 291 N -1.17 2.00 -4.42 6.66 3.41 -1.26 -4.38 113.62 114.46 2jbj n SER 291 Ca 0.11 -1.50 -0.30 0.00 -0.26 0.00 0.00 58.87 56.92 2jbj n SER 291 Cb 0.52 0.38 -0.13 0.00 -0.26 0.00 0.00 64.21 64.72 2jbj n SER 291 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2jbj s ILE 292 N -2.10 2.48 0.50 -1.33 -4.36 -1.26 -4.91 121.20 110.22 2jbj s ILE 292 Ca 0.17 -1.51 -0.22 0.00 -0.26 0.00 0.00 60.65 58.83 2jbj s ILE 292 Cb 0.16 -2.07 -0.06 0.00 1.25 0.00 0.00 42.46 41.73 2jbj s ILE 292 CO 0.44 0.20 1.25 -2.84 0.24 0.00 0.00 174.94 174.23 2jbj s PRO 293 N -1.79 3.49 -0.01 0.37 0.02 -1.26 -4.38 135.00 131.44 2jbj s PRO 293 Ca 0.15 1.98 -0.03 0.00 0.02 0.00 0.00 61.00 63.11 2jbj s PRO 293 Cb -0.10 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 32.08 2jbj s PRO 293 CO 0.06 -0.83 0.07 0.08 -0.33 0.00 0.00 177.00 176.05 2jbj s VAL 294 N -1.44 0.04 -0.15 3.83 1.01 -1.25 -0.49 120.40 121.95 2jbj s VAL 294 Ca 0.67 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.19 2jbj s VAL 294 Cb -0.34 -0.22 0.04 0.00 0.00 0.00 0.00 36.38 35.86 2jbj s VAL 294 CO 0.40 -0.18 0.39 -2.28 0.00 0.00 0.00 175.10 173.43 2jbj s HIS 295 N -0.57 -0.44 0.14 5.22 5.04 -0.81 -4.33 115.29 119.55 2jbj s HIS 295 Ca -0.06 1.05 0.00 0.00 -1.54 0.00 0.00 55.06 54.51 2jbj s HIS 295 Cb -0.04 0.15 -0.04 0.00 0.04 0.00 0.00 32.58 32.69 2jbj s HIS 295 CO 0.00 -0.21 0.31 -1.25 -2.34 0.00 0.00 174.74 171.24 2jbj s PRO 296 N 0.30 3.48 0.08 2.88 0.04 -1.26 -1.10 135.00 139.42 2jbj s PRO 296 Ca -0.01 -0.43 -0.03 0.00 0.04 0.00 0.00 61.00 60.58 2jbj s PRO 296 Cb -0.03 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 2jbj s PRO 296 CO -0.00 0.50 0.06 0.96 0.04 0.00 0.00 177.00 178.56 2jbj s ILE 297 N -1.71 0.17 1.00 0.56 -4.36 0.11 -4.79 121.20 112.18 2jbj s ILE 297 Ca 0.37 -1.67 -0.16 0.00 -0.26 0.00 0.00 60.65 58.93 2jbj s ILE 297 Cb -0.12 -1.61 0.21 0.00 1.25 0.00 0.00 42.46 42.19 2jbj s ILE 297 CO 0.28 -0.76 1.25 -0.83 0.24 0.00 0.00 174.94 175.12 2jbj s GLY 298 N -2.94 1.71 0.40 6.27 0.00 -1.23 -2.79 107.32 108.74 2jbj s GLY 298 Ca 0.11 -1.05 0.22 0.00 0.00 0.00 0.00 44.72 43.99 2jbj s GLY 298 CO -0.07 -0.30 1.63 0.10 0.00 0.00 0.00 173.10 174.46 2jbj h TYR 299 N -1.79 0.00 0.03 1.90 -0.00 -1.57 -2.02 116.97 113.51 2jbj h TYR 299 Ca -0.45 0.00 0.02 0.00 -0.00 0.00 0.00 58.73 58.30 2jbj h TYR 299 Cb 1.26 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.97 2jbj h TYR 299 CO -1.15 0.21 -0.13 1.88 -0.00 0.00 0.00 178.16 178.97 2jbj h TYR 300 N 0.00 -0.33 0.00 0.10 0.05 -1.81 0.22 116.97 115.20 2jbj h TYR 300 Ca -0.00 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 2jbj h TYR 300 Cb 1.04 0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.91 2jbj h TYR 300 CO 0.00 -0.20 -0.26 -0.44 -1.05 0.00 0.00 178.16 176.21 2jbj h ASP 301 N -0.23 0.00 0.12 3.88 3.32 -1.76 -2.84 116.42 118.91 2jbj h ASP 301 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2jbj h ASP 301 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2jbj h ASP 301 CO -0.11 0.26 -0.06 0.00 -1.72 0.00 0.00 179.24 177.61 2jbj h ALA 302 N 1.74 -0.16 -0.36 3.45 0.00 -1.09 -2.34 119.26 120.50 2jbj h ALA 302 Ca -0.00 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.77 2jbj h ALA 302 Cb 0.58 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 2jbj h ALA 302 CO 0.03 -0.37 -0.37 0.37 0.00 0.00 0.00 179.25 178.91 2jbj h GLN 303 N -0.61 -0.30 -0.88 0.00 4.15 -0.90 0.22 115.11 116.79 2jbj h GLN 303 Ca -0.02 0.02 0.24 0.00 0.77 0.00 0.00 58.65 59.66 2jbj h GLN 303 Cb 0.47 0.07 -0.15 0.00 0.21 0.00 0.00 27.48 28.09 2jbj h GLN 303 CO 0.03 -0.20 0.18 0.87 -1.93 0.00 0.00 178.83 177.77 2jbj h LYS 304 N -0.31 0.15 0.00 1.69 6.56 -1.49 0.33 116.57 123.49 2jbj h LYS 304 Ca 0.15 -0.01 -0.14 0.00 -1.06 0.00 0.00 60.65 59.58 2jbj h LYS 304 Cb 0.57 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 2jbj h LYS 304 CO -0.53 0.10 -0.68 -0.07 -2.06 0.00 0.00 179.45 176.21 2jbj h LEU 305 N 0.15 0.00 0.00 2.94 4.07 -0.40 -3.33 115.31 118.75 2jbj h LEU 305 Ca 0.55 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 58.36 2jbj h LEU 305 Cb 1.10 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.82 2jbj h LEU 305 CO -0.70 0.68 -1.32 -0.07 -1.08 0.00 0.00 178.44 175.95 2jbj h LEU 306 N 0.00 0.00 -1.05 1.67 3.38 0.38 -3.40 115.31 116.28 2jbj h LEU 306 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2jbj h LEU 306 Cb 1.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2jbj h LEU 306 CO 0.09 0.51 -0.43 1.05 0.09 0.00 0.00 178.44 179.75 2jbj h GLU 307 N 0.00 0.00 -0.73 1.13 4.11 -1.08 -2.63 114.58 115.39 2jbj h GLU 307 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2jbj h GLU 307 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 2jbj h GLU 307 CO 0.04 0.43 0.00 1.63 0.07 0.00 0.00 179.01 181.18 2jbj n LYS 308 N -3.79 3.16 -2.68 1.06 5.02 -1.26 -4.88 118.16 114.79 2jbj n LYS 308 Ca -0.01 -1.81 -0.42 0.00 -2.02 0.00 0.00 58.31 54.05 2jbj n LYS 308 Cb 0.49 -1.89 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 2jbj n LYS 308 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2jbj s MET 309 N -1.97 4.52 0.00 1.97 -1.94 -0.99 -0.66 119.30 120.22 2jbj s MET 309 Ca 0.32 1.45 0.00 0.00 -1.71 0.00 0.00 55.69 55.74 2jbj s MET 309 Cb 0.23 -3.47 0.00 0.00 2.01 0.00 0.00 34.83 33.61 2jbj s MET 309 CO 0.10 -0.12 0.00 0.41 -0.01 0.00 0.00 175.02 175.40 2jbj n GLY 310 N 2.97 1.24 7.00 -0.03 0.00 0.12 -4.35 105.19 112.14 2jbj n GLY 310 Ca 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2jbj n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jbj n GLY 311 N 5.00 1.50 3.86 -0.02 0.00 -1.25 -2.61 105.19 111.67 2jbj n GLY 311 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 2jbj n GLY 311 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jbj s SER 312 N -4.00 6.44 0.85 1.61 0.01 -1.16 -4.75 113.70 112.70 2jbj s SER 312 Ca 0.00 1.39 -0.13 0.00 1.31 0.00 0.00 55.95 58.51 2jbj s SER 312 Cb 0.00 -2.44 0.05 0.00 0.21 0.00 0.00 66.02 63.84 2jbj s SER 312 CO 0.00 -0.65 0.83 0.00 0.41 0.00 0.00 173.24 173.83 2jbj n ALA 313 N -1.99 -1.18 -1.78 1.44 0.00 -1.26 -1.88 120.51 113.86 2jbj n ALA 313 Ca 0.05 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 2jbj n ALA 313 Cb 0.54 -2.03 -0.00 0.00 0.00 0.00 0.00 19.45 17.96 2jbj n ALA 313 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jbj s PRO 314 N -3.78 4.09 0.50 0.00 0.04 -1.25 -4.54 135.00 130.05 2jbj s PRO 314 Ca 0.66 2.48 0.33 0.00 0.04 0.00 0.00 61.00 64.51 2jbj s PRO 314 Cb -0.27 -2.94 1.52 0.00 0.04 0.00 0.00 34.50 32.85 2jbj s PRO 314 CO 0.58 -0.51 1.99 -1.00 0.04 0.00 0.00 177.00 178.09 2jbj h PRO 315 N 2.96 0.00 -1.60 0.56 0.13 -1.92 -3.45 132.00 128.67 2jbj h PRO 315 Ca -0.51 0.00 0.39 0.00 -0.87 0.00 0.00 66.00 65.01 2jbj h PRO 315 Cb 1.24 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 2jbj h PRO 315 CO 0.64 0.00 0.97 0.16 -0.23 0.00 0.00 178.00 179.54 2jbj s ASP 316 N -5.12 -0.01 0.65 1.44 1.47 -1.26 -5.03 116.67 108.81 2jbj s ASP 316 Ca 0.00 -0.06 0.39 0.00 1.18 0.00 0.00 52.55 54.07 2jbj s ASP 316 Cb 0.10 0.05 2.20 0.00 -0.34 0.00 0.00 42.92 44.92 2jbj s ASP 316 CO 0.45 -0.09 2.31 0.77 0.68 0.00 0.00 175.17 179.28 2jbj h SER 317 N 2.00 0.00 1.42 2.11 4.64 -1.95 -1.72 113.55 120.05 2jbj h SER 317 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2jbj h SER 317 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2jbj h SER 317 CO 0.30 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.03 2jbj h SER 318 N 0.00 0.00 0.55 4.97 4.64 -1.98 -2.59 113.55 119.14 2jbj h SER 318 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jbj h SER 318 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2jbj h SER 318 CO -0.00 0.00 -0.23 0.79 -0.87 0.00 0.00 176.83 176.52 2jbj n TRP 319 N -2.72 0.00 -4.23 4.77 7.02 -0.65 -4.89 117.44 116.74 2jbj n TRP 319 Ca 0.03 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.17 2jbj n TRP 319 Cb 0.40 -0.28 -0.11 0.00 -2.42 0.00 0.00 31.31 28.90 2jbj n TRP 319 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2jbj s ARG 320 N -2.78 3.78 0.00 -0.99 3.00 -0.98 -4.79 118.95 116.18 2jbj s ARG 320 Ca 0.19 -0.44 0.00 0.00 0.00 0.00 0.00 55.73 55.48 2jbj s ARG 320 Cb 0.19 -3.04 0.00 0.00 0.00 0.00 0.00 34.95 32.10 2jbj s ARG 320 CO 0.57 0.28 0.00 0.41 0.00 0.00 0.00 175.30 176.56 2jbj n GLY 321 N 3.46 1.83 0.00 -3.53 0.00 -1.26 -5.02 105.19 100.68 2jbj n GLY 321 Ca -0.17 -1.85 0.10 0.00 0.00 0.00 0.00 46.02 44.10 2jbj n GLY 321 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jbj n SER 322 N 0.00 0.73 -4.75 1.61 7.64 -1.26 -4.94 113.62 112.64 2jbj n SER 322 Ca 0.00 -0.63 -0.31 0.00 1.01 0.00 0.00 58.87 58.94 2jbj n SER 322 Cb 0.00 1.32 0.10 0.00 -1.01 0.00 0.00 64.21 64.63 2jbj n SER 322 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jbj s LEU 323 N -3.45 3.00 -1.37 -3.43 1.02 -1.26 -4.88 118.68 108.31 2jbj s LEU 323 Ca 0.02 1.88 -0.12 0.00 0.02 0.00 0.00 54.13 55.94 2jbj s LEU 323 Cb 0.14 -4.53 0.11 0.00 0.02 0.00 0.00 46.19 41.93 2jbj s LEU 323 CO 0.82 -2.21 2.05 0.29 0.02 0.00 0.00 176.35 177.32 2jbj n LYS 324 N -3.64 3.25 -4.19 1.70 4.01 -1.26 -4.88 118.16 113.15 2jbj n LYS 324 Ca 0.10 -3.08 -0.11 0.00 -0.51 0.00 0.00 58.31 54.70 2jbj n LYS 324 Cb 0.53 -3.11 -0.10 0.00 -0.51 0.00 0.00 35.03 31.84 2jbj n LYS 324 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2jbj s VAL 325 N 1.77 0.43 0.22 -0.18 -7.23 -1.26 -5.03 120.40 109.12 2jbj s VAL 325 Ca 0.43 -1.94 0.12 0.00 -1.81 0.00 0.00 61.98 58.79 2jbj s VAL 325 Cb 0.12 -2.02 -0.00 0.00 0.56 0.00 0.00 36.38 35.03 2jbj s VAL 325 CO -0.04 -0.54 1.60 1.55 -0.31 0.00 0.00 175.10 177.36 2jbj h PRO 326 N 2.81 0.00 -1.36 4.82 0.13 -1.89 -3.47 132.00 133.03 2jbj h PRO 326 Ca -0.36 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.61 2jbj h PRO 326 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jbj h PRO 326 CO 0.62 0.60 -0.22 0.66 -0.23 0.00 0.00 178.00 179.43 2jbj n TYR 327 N -3.68 -0.47 -1.58 1.56 4.01 -1.26 -4.69 117.16 111.05 2jbj n TYR 327 Ca -0.01 0.05 -0.37 0.00 -0.16 0.00 0.00 57.90 57.41 2jbj n TYR 327 Cb 0.63 -2.21 0.07 0.00 -0.31 0.00 0.00 39.34 37.52 2jbj n TYR 327 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jbj n ASN 328 N 0.36 0.98 0.09 7.72 3.02 -1.26 -3.93 115.26 122.24 2jbj n ASN 328 Ca -0.09 0.77 0.12 0.00 -0.03 0.00 0.00 54.58 55.35 2jbj n ASN 328 Cb 0.57 -1.43 0.07 0.00 -0.61 0.00 0.00 39.78 38.37 2jbj n ASN 328 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2jbj h VAL 329 N 0.27 0.00 0.00 2.41 2.07 -1.51 -3.41 116.25 116.08 2jbj h VAL 329 Ca -0.49 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2jbj h VAL 329 Cb 1.35 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2jbj h VAL 329 CO 0.50 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.70 2jbj n GLY 330 N 1.23 -1.27 3.77 2.17 0.00 -1.07 -1.62 105.19 108.41 2jbj n GLY 330 Ca 0.01 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 2jbj n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jbj s PRO 331 N 0.00 1.82 0.19 1.61 0.04 -1.26 -2.99 135.00 134.42 2jbj s PRO 331 Ca 0.00 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2jbj s PRO 331 Cb 0.00 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2jbj s PRO 331 CO 0.00 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 175.62 2jbj n GLY 332 N -1.71 -2.20 3.92 0.56 0.00 -0.74 -3.97 105.19 101.05 2jbj n GLY 332 Ca 0.07 -1.34 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 2jbj n GLY 332 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jbj s PHE 333 N -2.47 3.53 0.00 1.61 0.40 -1.25 0.15 117.98 119.94 2jbj s PHE 333 Ca 0.00 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 56.98 2jbj s PHE 333 Cb 0.00 -2.15 0.00 0.00 0.51 0.00 0.00 43.02 41.38 2jbj s PHE 333 CO 0.00 -0.08 0.37 2.41 0.70 0.00 0.00 175.22 178.62 2jbj n THR 334 N -1.90 0.00 0.00 0.64 -1.04 0.16 -4.05 114.28 108.09 2jbj n THR 334 Ca -0.01 0.65 0.00 0.00 -2.04 0.00 0.00 64.05 62.65 2jbj n THR 334 Cb 0.55 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 2jbj n THR 334 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2jbj n PHE 337 N -1.39 0.00 0.00 -1.42 0.99 -1.26 -4.88 117.46 109.50 2jbj n PHE 337 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2jbj n PHE 337 Cb 0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 39.48 38.07 2jbj n PHE 337 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2jbj n SER 338 N 0.00 0.00 0.00 4.37 7.64 -1.26 -2.08 113.62 122.29 2jbj n SER 338 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jbj n SER 338 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2jbj n SER 338 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2jbj n THR 339 N 0.00 0.00 -2.17 0.44 5.66 -1.26 -3.97 114.28 112.98 2jbj n THR 339 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 2jbj n THR 339 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 2jbj n THR 339 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2jbj s GLN 340 N -1.00 3.62 0.37 1.09 -0.21 -0.88 -4.22 119.66 118.42 2jbj s GLN 340 Ca 0.00 1.04 0.06 0.00 0.02 0.00 0.00 55.36 56.48 2jbj s GLN 340 Cb 0.00 -2.08 -0.07 0.00 1.00 0.00 0.00 33.01 31.86 2jbj s GLN 340 CO 0.00 -0.55 0.01 0.15 -2.12 0.00 0.00 175.29 172.78 2jbj s LYS 341 N -4.22 1.81 -0.17 2.91 3.01 -0.88 -4.76 119.74 117.46 2jbj s LYS 341 Ca 0.60 -2.00 -0.09 0.00 -1.01 0.00 0.00 55.97 53.47 2jbj s LYS 341 Cb -0.13 -1.37 -0.05 0.00 -1.01 0.00 0.00 37.83 35.28 2jbj s LYS 341 CO 0.37 -0.06 0.14 0.08 0.51 0.00 0.00 175.35 176.38 2jbj s VAL 342 N -2.91 5.44 -0.05 3.17 1.01 -0.81 -1.52 120.40 124.73 2jbj s VAL 342 Ca 0.35 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.58 2jbj s VAL 342 Cb 0.08 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 2jbj s VAL 342 CO 0.17 0.51 -0.17 -0.75 0.00 0.00 0.00 175.10 174.86 2jbj s LYS 343 N -0.18 1.84 0.01 2.72 2.20 0.56 -1.47 119.74 125.42 2jbj s LYS 343 Ca 0.11 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 2jbj s LYS 343 Cb -0.12 -1.57 -0.04 0.00 -1.51 0.00 0.00 37.83 34.60 2jbj s LYS 343 CO 0.01 0.20 0.04 -1.64 -0.36 0.00 0.00 175.35 173.60 2jbj s MET 344 N 0.16 2.89 -0.35 4.03 -1.94 -0.08 0.41 119.30 124.42 2jbj s MET 344 Ca -0.06 -0.59 0.02 0.00 -1.71 0.00 0.00 55.69 53.34 2jbj s MET 344 Cb -0.13 -2.74 0.11 0.00 2.01 0.00 0.00 34.83 34.08 2jbj s MET 344 CO 0.03 0.62 0.10 -1.01 -0.01 0.00 0.00 175.02 174.75 2jbj s HIS 345 N -1.18 2.70 -0.13 -0.03 0.09 0.92 -3.64 115.29 114.01 2jbj s HIS 345 Ca 0.23 -2.44 0.02 0.00 -0.00 0.00 0.00 55.06 52.87 2jbj s HIS 345 Cb -0.12 -2.32 0.00 0.00 -0.00 0.00 0.00 32.58 30.15 2jbj s HIS 345 CO 0.14 -0.89 -0.19 0.42 -0.00 0.00 0.00 174.74 174.21 2jbj s ILE 346 N 1.07 2.35 -0.01 0.60 -1.09 0.34 -2.69 121.20 121.77 2jbj s ILE 346 Ca 0.12 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 2jbj s ILE 346 Cb -0.19 -1.95 0.02 0.00 -1.58 0.00 0.00 42.46 38.75 2jbj s ILE 346 CO -0.14 0.54 0.74 1.41 -1.23 0.00 0.00 174.94 176.27 2jbj n HIS 347 N 3.89 0.00 -1.63 3.97 8.25 -1.26 -0.27 115.22 128.17 2jbj n HIS 347 Ca -0.19 -0.21 -0.41 0.00 -0.26 0.00 0.00 57.72 56.65 2jbj n HIS 347 Cb 0.52 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.62 2jbj n HIS 347 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2jbj n SER 348 N -0.24 1.44 -4.39 0.41 7.64 -1.26 -4.00 113.62 113.22 2jbj n SER 348 Ca 0.01 1.01 -0.30 0.00 1.01 0.00 0.00 58.87 60.60 2jbj n SER 348 Cb 0.46 -1.39 -0.13 0.00 -1.01 0.00 0.00 64.21 62.13 2jbj n SER 348 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jbj s THR 349 N -1.30 2.35 -0.00 0.44 -4.23 -0.39 -4.41 115.64 108.10 2jbj s THR 349 Ca 0.65 -1.50 -0.18 0.00 -1.18 0.00 0.00 61.69 59.48 2jbj s THR 349 Cb -0.52 -1.98 -0.06 0.00 1.34 0.00 0.00 72.50 71.28 2jbj s THR 349 CO 0.55 0.24 0.50 0.20 -0.54 0.00 0.00 174.62 175.58 2jbj s ASN 350 N -1.63 6.89 -0.17 3.99 0.01 -1.26 -1.58 114.94 121.18 2jbj s ASN 350 Ca 0.14 1.06 -0.18 0.00 -0.71 0.00 0.00 52.86 53.17 2jbj s ASN 350 Cb -0.10 -2.31 0.05 0.00 0.41 0.00 0.00 41.25 39.30 2jbj s ASN 350 CO 0.05 0.21 0.50 -1.83 -1.51 0.00 0.00 177.10 174.52 2jbj s GLU 351 N -0.60 0.62 0.06 -0.60 -1.05 0.23 -4.94 118.70 112.42 2jbj s GLU 351 Ca 0.27 0.64 -0.31 0.00 -0.15 0.00 0.00 54.97 55.42 2jbj s GLU 351 Cb -0.18 0.30 -0.07 0.00 -0.44 0.00 0.00 34.13 33.74 2jbj s GLU 351 CO 0.15 -0.09 1.48 0.08 0.95 0.00 0.00 175.26 177.83 2jbj s VAL 352 N 0.12 3.33 -0.06 1.83 1.01 -1.26 -1.22 120.40 124.16 2jbj s VAL 352 Ca -0.01 0.84 -0.08 0.00 0.00 0.00 0.00 61.98 62.73 2jbj s VAL 352 Cb -0.03 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.82 2jbj s VAL 352 CO 0.01 0.02 0.20 -0.89 0.00 0.00 0.00 175.10 174.45 2jbj s THR 353 N 1.98 0.02 0.18 3.92 2.01 0.76 -4.86 115.64 119.65 2jbj s THR 353 Ca 0.67 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 2jbj s THR 353 Cb -0.36 -0.35 -0.08 0.00 0.01 0.00 0.00 72.50 71.72 2jbj s THR 353 CO 0.29 -0.10 1.04 -0.60 -0.69 0.00 0.00 174.62 174.56 2jbj s ARG 354 N -0.33 4.67 0.21 4.92 3.52 -1.26 -1.58 118.95 129.10 2jbj s ARG 354 Ca -0.04 1.62 0.06 0.00 -0.13 0.00 0.00 55.73 57.24 2jbj s ARG 354 Cb -0.03 -3.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 2jbj s ARG 354 CO 0.01 0.20 -0.10 0.96 -0.81 0.00 0.00 175.30 175.55 2jbj s ILE 355 N -0.42 1.51 -0.04 4.11 -4.36 -0.02 -4.34 121.20 117.64 2jbj s ILE 355 Ca 0.47 -2.14 -0.01 0.00 -0.26 0.00 0.00 60.65 58.71 2jbj s ILE 355 Cb -0.27 -2.11 0.03 0.00 1.25 0.00 0.00 42.46 41.35 2jbj s ILE 355 CO 0.34 -0.54 0.03 -0.31 0.24 0.00 0.00 174.94 174.70 2jbj s TYR 356 N -3.11 0.21 -0.06 1.37 2.02 -1.26 -2.34 117.35 114.17 2jbj s TYR 356 Ca 0.23 0.10 -0.04 0.00 -0.37 0.00 0.00 57.07 56.99 2jbj s TYR 356 Cb 0.02 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 41.08 2jbj s TYR 356 CO 0.07 -0.17 0.14 -0.80 -1.57 0.00 0.00 175.55 173.22 2jbj s ASN 357 N 1.62 6.25 -0.21 2.29 0.01 0.11 -4.04 114.94 120.96 2jbj s ASN 357 Ca -0.02 0.37 -0.09 0.00 -0.71 0.00 0.00 52.86 52.41 2jbj s ASN 357 Cb -0.13 -1.97 -0.05 0.00 0.41 0.00 0.00 41.25 39.52 2jbj s ASN 357 CO -0.03 0.34 0.12 -0.69 -1.51 0.00 0.00 177.10 175.33 2jbj s VAL 358 N -1.15 5.15 -0.26 1.60 1.01 -0.54 -0.39 120.40 125.81 2jbj s VAL 358 Ca 0.21 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.31 2jbj s VAL 358 Cb -0.12 -3.37 0.07 0.00 0.00 0.00 0.00 36.38 32.96 2jbj s VAL 358 CO 0.11 0.40 -0.06 -0.63 0.00 0.00 0.00 175.10 174.92 2jbj s ILE 359 N 0.73 1.88 0.05 2.22 -1.09 -0.36 0.15 121.20 124.77 2jbj s ILE 359 Ca 0.06 -1.56 -0.00 0.00 -2.23 0.00 0.00 60.65 56.92 2jbj s ILE 359 Cb -0.13 -2.12 -0.04 0.00 -1.58 0.00 0.00 42.46 38.60 2jbj s ILE 359 CO 0.02 -0.16 0.20 -0.83 -1.23 0.00 0.00 174.94 172.93 2jbj s GLY 360 N 1.21 2.18 -0.08 6.18 0.00 0.91 -1.11 107.32 116.60 2jbj s GLY 360 Ca -0.04 -0.84 0.02 0.00 0.00 0.00 0.00 44.72 43.86 2jbj s GLY 360 CO -0.07 -0.80 -0.12 -1.59 0.00 0.00 0.00 173.10 170.53 2jbj s THR 361 N -1.47 1.16 -0.40 0.90 2.01 -0.06 -0.60 115.64 117.19 2jbj s THR 361 Ca 0.33 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 2jbj s THR 361 Cb -0.13 -1.09 0.10 0.00 0.01 0.00 0.00 72.50 71.39 2jbj s THR 361 CO 0.26 0.37 0.20 -0.22 -0.69 0.00 0.00 174.62 174.53 2jbj s LEU 362 N 0.92 5.08 0.23 4.42 2.96 0.33 -0.99 118.68 131.62 2jbj s LEU 362 Ca -0.10 -1.81 -0.31 0.00 -0.22 0.00 0.00 54.13 51.69 2jbj s LEU 362 Cb -0.15 -1.86 -0.11 0.00 0.50 0.00 0.00 46.19 44.57 2jbj s LEU 362 CO 0.01 -0.51 1.65 -0.60 -1.32 0.00 0.00 176.35 175.57 2jbj s ARG 363 N 1.23 4.14 0.37 1.98 3.52 -1.26 -1.67 118.95 127.25 2jbj s ARG 363 Ca 0.05 2.55 -0.25 0.00 -0.13 0.00 0.00 55.73 57.95 2jbj s ARG 363 Cb -0.23 -3.07 -0.09 0.00 -1.56 0.00 0.00 34.95 30.00 2jbj s ARG 363 CO -0.02 -0.68 1.02 0.20 -0.81 0.00 0.00 175.30 175.01 2jbj s GLY 364 N 0.92 2.77 0.07 8.12 0.00 -1.25 -4.53 107.32 113.42 2jbj s GLY 364 Ca 0.70 0.66 -0.09 0.00 0.00 0.00 0.00 44.72 45.99 2jbj s GLY 364 CO 0.38 1.11 1.14 0.00 0.00 0.00 0.00 173.10 175.72 2jbj h ALA 365 N 2.78 0.08 0.00 3.20 0.00 0.08 -3.36 119.26 122.04 2jbj h ALA 365 Ca -0.48 -0.82 -0.29 0.00 0.00 0.00 0.00 54.91 53.32 2jbj h ALA 365 Cb 1.21 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2jbj h ALA 365 CO 0.63 0.83 -2.03 0.28 0.00 0.00 0.00 179.25 178.97 2jbj n VAL 366 N -3.66 1.02 -3.24 0.00 0.31 -0.69 -4.81 118.33 107.26 2jbj n VAL 366 Ca -0.11 -0.32 -0.28 0.00 -0.01 0.00 0.00 64.34 63.62 2jbj n VAL 366 Cb 0.99 -1.45 -0.06 0.00 -0.91 0.00 0.00 33.84 32.41 2jbj n VAL 366 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jbj n GLU 367 N -3.44 2.86 0.32 5.55 1.02 -0.07 -4.91 120.64 121.97 2jbj n GLU 367 Ca -0.34 -4.74 0.21 0.00 -0.02 0.00 0.00 57.16 52.27 2jbj n GLU 367 Cb 0.80 -2.26 1.10 0.00 -0.02 0.00 0.00 31.44 31.06 2jbj n GLU 367 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jbj h PRO 368 N 3.82 0.00 -0.71 3.49 0.13 -1.75 -1.92 132.00 135.06 2jbj h PRO 368 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 2jbj h PRO 368 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 2jbj h PRO 368 CO 0.85 0.01 0.01 -0.40 -0.23 0.00 0.00 178.00 178.23 2jbj n ASP 369 N -3.21 4.40 -4.07 1.44 5.75 -1.26 -4.40 116.55 115.20 2jbj n ASP 369 Ca -0.03 -2.68 -0.28 0.00 -0.01 0.00 0.00 54.79 51.80 2jbj n ASP 369 Cb 0.11 -0.64 -0.17 0.00 -1.03 0.00 0.00 41.12 39.39 2jbj n ASP 369 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2jbj s ARG 370 N -2.27 2.18 -0.15 0.11 1.81 -0.73 -4.65 118.95 115.26 2jbj s ARG 370 Ca 0.39 -0.56 -0.00 0.00 -1.72 0.00 0.00 55.73 53.84 2jbj s ARG 370 Cb 0.30 -1.80 -0.01 0.00 -0.45 0.00 0.00 34.95 32.99 2jbj s ARG 370 CO 0.11 0.01 -0.13 0.71 -0.68 0.00 0.00 175.30 175.32 2jbj s TYR 371 N 0.78 2.81 -0.17 -0.53 2.02 -0.44 -1.36 117.35 120.46 2jbj s TYR 371 Ca -0.11 -0.84 -0.02 0.00 -0.37 0.00 0.00 57.07 55.73 2jbj s TYR 371 Cb -0.16 -1.89 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 2jbj s TYR 371 CO 0.02 -0.35 -0.09 0.08 -1.57 0.00 0.00 175.55 173.63 2jbj s VAL 372 N 0.65 3.19 -0.12 0.71 1.01 -0.15 -0.22 120.40 125.47 2jbj s VAL 372 Ca -0.07 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2jbj s VAL 372 Cb -0.16 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2jbj s VAL 372 CO 0.02 0.48 -0.16 -0.63 0.00 0.00 0.00 175.10 174.82 2jbj s ILE 373 N 0.84 2.80 -0.24 2.22 1.01 -0.40 -0.32 121.20 127.13 2jbj s ILE 373 Ca -0.03 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 2jbj s ILE 373 Cb -0.15 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 2jbj s ILE 373 CO 0.01 0.53 -0.01 -0.22 0.00 0.00 0.00 174.94 175.25 2jbj s LEU 374 N 0.36 3.12 0.01 2.97 2.96 0.18 -0.54 118.68 127.74 2jbj s LEU 374 Ca -0.13 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 2jbj s LEU 374 Cb -0.16 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 2jbj s LEU 374 CO 0.06 -0.05 -0.03 -0.83 -1.32 0.00 0.00 176.35 174.19 2jbj s GLY 375 N 1.50 0.16 0.18 7.98 0.00 -0.24 -1.39 107.32 115.51 2jbj s GLY 375 Ca 0.05 -0.25 -0.23 0.00 0.00 0.00 0.00 44.72 44.29 2jbj s GLY 375 CO -0.01 -0.25 0.74 -0.32 0.00 0.00 0.00 173.10 173.25 2jbj s GLY 376 N -0.46 -0.34 0.42 0.20 0.00 -1.04 -0.03 107.32 106.07 2jbj s GLY 376 Ca -0.03 0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.86 2jbj s GLY 376 CO -0.00 0.07 0.68 -2.38 0.00 0.00 0.00 173.10 171.47 2jbj s HIS 377 N -3.65 3.53 -0.10 1.90 -3.43 -1.26 -1.36 115.29 110.92 2jbj s HIS 377 Ca 0.07 0.63 0.10 0.00 -0.80 0.00 0.00 55.06 55.06 2jbj s HIS 377 Cb -0.03 -2.14 -0.14 0.00 -1.43 0.00 0.00 32.58 28.85 2jbj s HIS 377 CO -0.03 -0.10 0.05 -2.13 -2.00 0.00 0.00 174.74 170.53 2jbj n ARG 378 N -2.01 2.12 -2.36 -0.38 0.63 0.14 -4.63 116.66 110.17 2jbj n ARG 378 Ca -0.02 -0.01 -0.37 0.00 -0.92 0.00 0.00 57.85 56.54 2jbj n ARG 378 Cb 0.55 -1.28 -0.02 0.00 0.45 0.00 0.00 32.46 32.17 2jbj n ARG 378 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2jbj s ASP 379 N -4.27 6.34 0.14 6.15 -4.77 -1.25 -4.86 116.67 114.16 2jbj s ASP 379 Ca -0.05 2.20 0.06 0.00 -3.30 0.00 0.00 52.55 51.45 2jbj s ASP 379 Cb 0.03 -2.59 -0.04 0.00 -1.09 0.00 0.00 42.92 39.23 2jbj s ASP 379 CO 0.45 -0.79 -0.12 -0.94 0.70 0.00 0.00 175.17 174.46 2jbj s SER 380 N -1.46 1.98 0.02 2.11 1.04 -0.55 -4.49 113.70 112.34 2jbj s SER 380 Ca 0.62 -0.92 -0.23 0.00 0.48 0.00 0.00 55.95 55.90 2jbj s SER 380 Cb -0.26 -0.05 -0.17 0.00 0.10 0.00 0.00 66.02 65.64 2jbj s SER 380 CO 0.32 -0.22 1.38 -0.50 0.98 0.00 0.00 173.24 175.19 2jbj h TRP 381 N 3.10 0.14 0.00 5.02 4.06 -1.87 -3.30 115.95 123.10 2jbj h TRP 381 Ca -0.38 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.53 2jbj h TRP 381 Cb 1.20 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 2jbj h TRP 381 CO 0.66 0.49 0.00 0.28 -3.56 0.00 0.00 178.44 176.31 2jbj n VAL 382 N -4.80 0.00 0.11 1.49 0.31 -1.26 -4.67 118.33 109.51 2jbj n VAL 382 Ca -0.07 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.32 2jbj n VAL 382 Cb 0.24 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.18 2jbj n VAL 382 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2jbj h PHE 383 N 0.00 0.00 -5.09 3.52 0.04 -1.84 -2.80 116.94 110.77 2jbj h PHE 383 Ca 0.00 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.41 2jbj h PHE 383 Cb 0.00 0.00 0.11 0.00 2.20 0.00 0.00 35.95 38.26 2jbj h PHE 383 CO 0.00 0.26 -0.59 0.41 -0.60 0.00 0.00 178.31 177.79 2jbj n GLY 384 N 1.24 -0.39 0.19 -1.45 0.00 -1.25 -4.44 105.19 99.09 2jbj n GLY 384 Ca -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 2jbj n GLY 384 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jbj h GLY 385 N -2.22 0.55 0.00 -0.02 0.00 -1.76 -0.47 103.07 99.16 2jbj h GLY 385 Ca -0.50 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.67 2jbj h GLY 385 CO 0.50 -0.08 -1.32 1.39 0.00 0.00 0.00 176.54 177.02 2jbj n ILE 386 N -5.14 1.49 -3.31 2.60 5.41 -1.26 -3.75 119.36 115.40 2jbj n ILE 386 Ca 0.05 -0.00 -0.46 0.00 1.00 0.00 0.00 62.75 63.34 2jbj n ILE 386 Cb 0.24 -2.19 -0.05 0.00 -0.71 0.00 0.00 39.64 36.93 2jbj n ILE 386 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2jbj s ASP 387 N -6.42 6.25 0.00 4.38 2.15 -1.23 -2.16 116.67 119.63 2jbj s ASP 387 Ca -0.28 -1.87 0.10 0.00 0.43 0.00 0.00 52.55 50.92 2jbj s ASP 387 Cb 0.07 -2.21 0.19 0.00 -0.30 0.00 0.00 42.92 40.66 2jbj s ASP 387 CO 0.42 -0.84 1.05 -0.81 -0.17 0.00 0.00 175.17 174.82 2jbj n PRO 388 N 5.15 1.78 0.20 4.34 -0.04 -1.23 -4.31 135.00 140.88 2jbj n PRO 388 Ca -0.11 -1.59 0.14 0.00 -0.04 0.00 0.00 63.50 61.89 2jbj n PRO 388 Cb 0.41 -1.22 0.41 0.00 -0.04 0.00 0.00 33.50 33.06 2jbj n PRO 388 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2jbj h GLN 389 N 1.87 0.00 0.00 0.54 1.08 -0.56 1.00 115.11 119.04 2jbj h GLN 389 Ca 0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2jbj h GLN 389 Cb 0.58 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 2jbj h GLN 389 CO 0.00 0.00 -0.24 0.66 -0.95 0.00 0.00 178.83 178.30 2jbj h SER 390 N 0.00 0.00 0.11 1.46 4.64 -1.54 0.14 113.55 118.36 2jbj h SER 390 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2jbj h SER 390 Cb 0.71 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.82 2jbj h SER 390 CO 0.00 0.24 -0.80 1.23 -0.87 0.00 0.00 176.83 176.63 2jbj h GLY 391 N 1.76 0.26 1.27 -0.77 0.00 -1.24 -3.29 103.07 101.06 2jbj h GLY 391 Ca -0.00 -0.67 0.03 0.00 0.00 0.00 0.00 47.33 46.68 2jbj h GLY 391 CO 0.03 0.59 0.44 0.00 0.00 0.00 0.00 176.54 177.59 2jbj h ALA 392 N 0.02 1.61 -0.14 3.60 0.00 -0.65 -1.15 119.26 122.55 2jbj h ALA 392 Ca -0.16 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 2jbj h ALA 392 Cb 1.55 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2jbj h ALA 392 CO 0.10 0.33 -0.69 0.00 0.00 0.00 0.00 179.25 178.99 2jbj h ALA 393 N 1.61 0.51 -0.50 0.00 0.00 -0.89 -0.99 119.26 119.00 2jbj h ALA 393 Ca 0.26 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.65 2jbj h ALA 393 Cb 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2jbj h ALA 393 CO -0.07 0.71 0.21 0.28 0.00 0.00 0.00 179.25 180.39 2jbj h VAL 394 N 0.43 0.88 -0.54 0.00 2.07 -1.50 -1.65 116.25 115.93 2jbj h VAL 394 Ca -0.03 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 2jbj h VAL 394 Cb 1.28 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2jbj h VAL 394 CO 0.13 0.08 0.19 0.58 0.02 0.00 0.00 177.57 178.57 2jbj h VAL 395 N 0.41 1.23 -0.50 2.57 2.07 -0.88 0.98 116.25 122.14 2jbj h VAL 395 Ca 0.24 -0.75 0.09 0.00 0.82 0.00 0.00 66.70 67.10 2jbj h VAL 395 Cb 0.21 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 2jbj h VAL 395 CO -0.21 0.28 0.05 -0.74 0.02 0.00 0.00 177.57 176.97 2jbj h HIS 396 N 0.74 0.06 -0.29 1.57 6.17 -1.05 0.18 115.15 122.53 2jbj h HIS 396 Ca 0.18 0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.23 2jbj h HIS 396 Cb 0.25 0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.22 2jbj h HIS 396 CO 0.01 -0.07 -0.05 1.49 0.71 0.00 0.00 177.93 180.02 2jbj h GLU 397 N 0.17 0.55 -0.59 5.26 4.57 -0.98 -0.39 114.58 123.16 2jbj h GLU 397 Ca 0.25 -0.20 0.11 0.00 -1.18 0.00 0.00 59.36 58.34 2jbj h GLU 397 Cb 0.37 -0.04 -0.12 0.00 -0.16 0.00 0.00 28.75 28.81 2jbj h GLU 397 CO -0.38 0.74 -0.30 0.82 -1.18 0.00 0.00 179.01 178.71 2jbj h ILE 398 N 0.32 0.21 -0.65 2.32 2.04 -0.64 -0.51 117.51 120.60 2jbj h ILE 398 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.99 2jbj h ILE 398 Cb 0.52 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2jbj h ILE 398 CO 0.03 0.00 0.37 0.58 0.00 0.00 0.00 178.15 179.13 2jbj h VAL 399 N -0.13 1.00 -0.49 1.67 2.07 -0.54 -0.60 116.25 119.22 2jbj h VAL 399 Ca 0.25 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2jbj h VAL 399 Cb 0.54 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2jbj h VAL 399 CO -0.67 0.13 0.27 -0.09 0.02 0.00 0.00 177.57 177.23 2jbj h ARG 400 N 0.70 0.67 -0.50 1.57 2.43 -0.77 0.10 114.38 118.58 2jbj h ARG 400 Ca 0.28 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 2jbj h ARG 400 Cb 0.14 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2jbj h ARG 400 CO -0.16 0.52 0.24 1.03 -1.51 0.00 0.00 179.97 180.10 2jbj h SER 401 N 0.64 0.65 -0.48 -3.80 0.87 -0.66 -0.18 113.55 110.59 2jbj h SER 401 Ca 0.17 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 2jbj h SER 401 Cb 0.04 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2jbj h SER 401 CO -0.03 0.59 0.00 -0.26 -0.53 0.00 0.00 176.83 176.61 2jbj h PHE 402 N 0.66 0.96 -0.59 2.24 0.04 -0.93 -2.52 116.94 116.81 2jbj h PHE 402 Ca 0.17 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 2jbj h PHE 402 Cb 0.11 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 2jbj h PHE 402 CO -0.01 0.87 0.20 0.78 -0.60 0.00 0.00 178.31 179.55 2jbj h GLY 403 N 0.99 0.94 0.99 -1.45 0.00 -0.40 -1.37 103.07 102.78 2jbj h GLY 403 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2jbj h GLY 403 CO 0.02 0.48 0.08 -0.84 0.00 0.00 0.00 176.54 176.28 2jbj h THR 404 N 0.85 1.04 -0.84 4.70 2.02 -0.63 -1.75 112.91 118.31 2jbj h THR 404 Ca 0.20 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 2jbj h THR 404 Cb 0.23 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 2jbj h THR 404 CO -0.01 0.04 0.41 -0.07 0.37 0.00 0.00 175.52 176.26 2jbj h LEU 405 N 0.16 1.08 -1.34 2.58 3.38 -1.08 -2.34 115.31 117.75 2jbj h LEU 405 Ca 0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2jbj h LEU 405 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2jbj h LEU 405 CO -0.01 0.90 0.25 0.50 0.09 0.00 0.00 178.44 180.17 2jbj h LYS 406 N 1.19 0.70 -0.06 1.13 3.64 -0.92 -1.95 116.57 120.30 2jbj h LYS 406 Ca 0.29 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 2jbj h LYS 406 Cb 0.10 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2jbj h LYS 406 CO -0.04 0.54 -0.39 0.87 -2.27 0.00 0.00 179.45 178.16 2jbj h LYS 407 N 0.71 0.13 -0.28 1.90 1.57 -0.78 -0.23 116.57 119.58 2jbj h LYS 407 Ca 0.18 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2jbj h LYS 407 Cb 0.07 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2jbj h LYS 407 CO -0.03 0.51 0.00 0.39 -0.57 0.00 0.00 179.45 179.75 2jbj n GLU 408 N -4.05 1.13 -0.88 3.15 4.71 -0.95 -4.91 120.64 118.84 2jbj n GLU 408 Ca -0.02 -0.16 0.00 0.00 -0.01 0.00 0.00 57.16 56.98 2jbj n GLU 408 Cb 0.45 -1.16 0.00 0.00 -1.01 0.00 0.00 31.44 29.71 2jbj n GLU 408 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jbj n GLY 409 N 0.43 0.60 3.84 0.62 0.00 -0.10 -5.07 105.19 105.52 2jbj n GLY 409 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2jbj n GLY 409 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2jbj s TRP 410 N -2.20 3.38 0.02 1.61 -0.00 -0.78 -4.98 118.94 116.00 2jbj s TRP 410 Ca 0.00 1.32 0.04 0.00 -0.00 0.00 0.00 56.10 57.46 2jbj s TRP 410 Cb 0.00 -2.63 -0.02 0.00 -0.00 0.00 0.00 33.47 30.82 2jbj s TRP 410 CO 0.00 -0.04 -0.12 1.03 -0.00 0.00 0.00 176.95 177.82 2jbj s ARG 411 N -3.28 0.81 0.74 5.86 0.52 -1.26 -3.90 118.95 118.44 2jbj s ARG 411 Ca 0.56 -0.62 -0.12 0.00 -0.52 0.00 0.00 55.73 55.03 2jbj s ARG 411 Cb -0.10 -0.78 0.04 0.00 0.52 0.00 0.00 34.95 34.64 2jbj s ARG 411 CO 0.20 0.19 1.10 -1.25 0.02 0.00 0.00 175.30 175.57 2jbj s PRO 412 N -0.91 2.36 0.13 3.54 0.04 -1.26 -4.68 135.00 134.22 2jbj s PRO 412 Ca 0.01 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.13 2jbj s PRO 412 Cb -0.07 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2jbj s PRO 412 CO 0.01 -1.58 1.70 -0.09 0.04 0.00 0.00 177.00 177.09 2jbj h ARG 413 N -0.76 0.01 -6.05 4.56 2.43 -1.80 0.37 114.38 113.13 2jbj h ARG 413 Ca -0.45 -0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.18 2jbj h ARG 413 Cb 1.24 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 2jbj h ARG 413 CO 0.52 0.00 -0.47 1.03 -1.51 0.00 0.00 179.97 179.54 2jbj s ARG 414 N -6.20 3.41 0.18 0.20 0.52 -0.20 -0.89 118.95 115.96 2jbj s ARG 414 Ca -0.13 -0.61 -0.33 0.00 -0.52 0.00 0.00 55.73 54.14 2jbj s ARG 414 Cb 0.10 -2.95 -0.13 0.00 0.52 0.00 0.00 34.95 32.49 2jbj s ARG 414 CO 0.69 0.52 1.61 2.41 0.02 0.00 0.00 175.30 180.55 2jbj n THR 415 N -0.50 0.08 -4.42 0.02 -1.04 -0.46 -3.96 114.28 103.99 2jbj n THR 415 Ca -0.07 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.58 2jbj n THR 415 Cb 0.54 -1.66 -0.11 0.00 -1.82 0.00 0.00 70.33 67.28 2jbj n THR 415 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2jbj s ILE 416 N 0.90 4.02 0.00 12.58 1.01 -0.67 -0.97 121.20 138.07 2jbj s ILE 416 Ca 0.77 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 61.16 2jbj s ILE 416 Cb -0.63 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 2jbj s ILE 416 CO 0.37 0.54 -0.22 -0.76 0.00 0.00 0.00 174.94 174.87 2jbj s LEU 417 N -0.23 2.31 -0.09 2.97 1.43 0.56 -0.51 118.68 125.12 2jbj s LEU 417 Ca 0.04 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2jbj s LEU 417 Cb -0.13 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.70 2jbj s LEU 417 CO 0.02 0.30 -0.15 -0.36 0.23 0.00 0.00 176.35 176.39 2jbj s PHE 418 N -0.74 1.82 -0.05 0.29 0.08 0.23 -0.64 117.98 118.96 2jbj s PHE 418 Ca 0.12 -0.75 0.06 0.00 0.12 0.00 0.00 56.93 56.47 2jbj s PHE 418 Cb -0.10 -1.30 -0.01 0.00 -0.57 0.00 0.00 43.02 41.04 2jbj s PHE 418 CO 0.01 -0.37 -0.24 0.00 -0.10 0.00 0.00 175.22 174.52 2jbj s ALA 419 N 0.73 2.21 -0.49 5.36 0.00 -0.48 -0.07 121.76 129.02 2jbj s ALA 419 Ca -0.12 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 50.68 2jbj s ALA 419 Cb -0.16 -0.68 0.12 0.00 0.00 0.00 0.00 23.12 22.40 2jbj s ALA 419 CO 0.03 0.45 0.38 0.45 0.00 0.00 0.00 175.76 177.07 2jbj s SER 420 N -0.29 5.80 0.37 0.00 0.15 0.12 -2.49 113.70 117.35 2jbj s SER 420 Ca 0.01 -1.93 -0.17 0.00 0.70 0.00 0.00 55.95 54.55 2jbj s SER 420 Cb -0.13 -2.05 -0.10 0.00 -1.71 0.00 0.00 66.02 62.04 2jbj s SER 420 CO 0.02 -0.71 0.83 0.26 1.20 0.00 0.00 173.24 174.84 2jbj s TRP 421 N 1.34 3.35 0.36 3.44 0.23 -0.46 -1.47 118.94 125.73 2jbj s TRP 421 Ca 0.06 1.37 0.08 0.00 -2.03 0.00 0.00 56.10 55.58 2jbj s TRP 421 Cb -0.26 -2.66 -0.03 0.00 0.03 0.00 0.00 33.47 30.54 2jbj s TRP 421 CO -0.00 0.00 0.23 0.34 0.96 0.00 0.00 176.95 178.48 2jbj s ASP 422 N -2.26 4.90 -1.21 2.95 -1.08 -1.26 0.26 116.67 118.98 2jbj s ASP 422 Ca 0.57 -0.72 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 2jbj s ASP 422 Cb -0.10 -0.75 0.00 0.00 -1.46 0.00 0.00 42.92 40.62 2jbj s ASP 422 CO 0.16 -0.41 0.00 0.00 0.52 0.00 0.00 175.17 175.44 2jbj n ALA 423 N -1.30 -0.52 -0.25 3.66 0.00 -1.26 -1.53 120.51 119.32 2jbj n ALA 423 Ca -0.01 0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 2jbj n ALA 423 Cb 0.61 -1.46 0.05 0.00 0.00 0.00 0.00 19.45 18.65 2jbj n ALA 423 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2jbj h GLU 424 N 0.00 0.91 0.00 0.00 4.22 -1.90 -2.51 114.58 115.30 2jbj h GLU 424 Ca -0.29 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.09 2jbj h GLU 424 Cb 1.05 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2jbj h GLU 424 CO 0.37 0.62 0.03 0.93 -2.18 0.00 0.00 179.01 178.79 2jbj h GLU 425 N 0.93 0.00 -0.53 1.92 4.39 -1.88 0.34 114.58 119.76 2jbj h GLU 425 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2jbj h GLU 425 Cb -0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2jbj h GLU 425 CO -0.05 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 178.99 2jbj n PHE 426 N -2.77 1.44 0.00 4.33 3.72 -0.97 -3.98 117.46 119.22 2jbj n PHE 426 Ca -0.02 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.69 2jbj n PHE 426 Cb 0.09 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 2jbj n PHE 426 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jbj n GLY 427 N 0.61 1.88 3.59 1.37 0.00 0.97 -4.70 105.19 108.91 2jbj n GLY 427 Ca 0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 2jbj n GLY 427 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jbj n LEU 428 N 0.00 -3.45 0.03 0.99 4.77 0.19 -4.60 117.00 114.94 2jbj n LEU 428 Ca 0.00 -0.56 -0.19 0.00 -0.03 0.00 0.00 56.01 55.23 2jbj n LEU 428 Cb 0.00 -3.03 -0.11 0.00 -2.33 0.00 0.00 43.42 37.95 2jbj n LEU 428 CO 0.00 0.62 0.13 -0.07 -1.33 0.00 0.00 177.39 176.74 2jbj h LEU 429 N -2.60 0.78 -0.23 2.23 3.38 -1.70 -2.84 115.31 114.33 2jbj h LEU 429 Ca -0.57 -0.75 -0.02 0.00 0.09 0.00 0.00 57.88 56.63 2jbj h LEU 429 Cb 1.37 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2jbj h LEU 429 CO 0.56 1.43 0.08 1.23 0.09 0.00 0.00 178.44 181.83 2jbj h GLY 430 N 0.22 0.38 0.98 0.83 0.00 -1.47 -1.38 103.07 102.63 2jbj h GLY 430 Ca -0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 2jbj h GLY 430 CO 0.18 0.20 0.24 1.48 0.00 0.00 0.00 176.54 178.64 2jbj h SER 431 N 0.21 0.72 0.00 0.19 4.64 -1.76 -2.16 113.55 115.40 2jbj h SER 431 Ca 0.08 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2jbj h SER 431 Cb 0.21 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2jbj h SER 431 CO -0.00 0.66 -0.00 0.74 -0.87 0.00 0.00 176.83 177.36 2jbj h THR 432 N 0.72 1.17 -0.92 2.95 2.02 -1.47 -0.01 112.91 117.37 2jbj h THR 432 Ca 0.18 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.85 2jbj h THR 432 Cb 0.15 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 2jbj h THR 432 CO -0.02 0.14 0.61 -0.33 0.37 0.00 0.00 175.52 176.28 2jbj h GLU 433 N -0.23 1.17 -0.33 6.66 4.39 -1.27 0.28 114.58 125.24 2jbj h GLU 433 Ca -0.00 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2jbj h GLU 433 Cb 0.23 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2jbj h GLU 433 CO 0.00 0.77 0.14 2.35 -1.16 0.00 0.00 179.01 181.11 2jbj h TRP 434 N 1.20 0.50 -0.67 4.33 7.01 -1.00 -1.25 115.95 126.07 2jbj h TRP 434 Ca 0.35 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.28 2jbj h TRP 434 Cb -0.07 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 26.81 2jbj h TRP 434 CO -0.01 0.46 0.24 0.00 -2.79 0.00 0.00 178.44 176.34 2jbj h ALA 435 N 0.98 1.16 -0.23 2.65 0.00 -0.73 -0.41 119.26 122.68 2jbj h ALA 435 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2jbj h ALA 435 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jbj h ALA 435 CO -0.01 0.59 -0.02 0.93 0.00 0.00 0.00 179.25 180.74 2jbj h GLU 436 N 0.97 0.35 -0.05 0.00 5.08 -0.66 0.15 114.58 120.42 2jbj h GLU 436 Ca 0.22 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.33 2jbj h GLU 436 Cb 0.23 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2jbj h GLU 436 CO -0.01 0.40 -0.79 1.49 -1.00 0.00 0.00 179.01 179.10 2jbj h GLU 437 N 0.34 0.37 -0.24 2.33 4.81 -0.76 -3.34 114.58 118.09 2jbj h GLU 437 Ca 0.08 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2jbj h GLU 437 Cb 0.27 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2jbj h GLU 437 CO 0.01 0.99 0.00 0.09 -0.73 0.00 0.00 179.01 179.37 2jbj n ASN 438 N -3.80 3.30 -0.30 1.04 3.02 -0.21 -4.75 115.26 113.57 2jbj n ASN 438 Ca -0.05 -2.64 0.12 0.00 -0.03 0.00 0.00 54.58 51.98 2jbj n ASN 438 Cb 0.74 -0.40 0.28 0.00 -0.61 0.00 0.00 39.78 39.80 2jbj n ASN 438 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2jbj h SER 439 N 1.57 0.33 -0.63 6.41 4.64 -0.83 -0.93 113.55 124.11 2jbj h SER 439 Ca 0.00 0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 2jbj h SER 439 Cb 1.11 0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 2jbj h SER 439 CO 0.12 0.03 0.19 0.03 -0.87 0.00 0.00 176.83 176.33 2jbj h ARG 440 N 0.42 1.00 -0.47 4.77 3.08 -1.86 0.51 114.38 121.83 2jbj h ARG 440 Ca 0.53 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 60.27 2jbj h ARG 440 Cb 0.96 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2jbj h ARG 440 CO -0.50 0.87 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.07 2jbj h LEU 441 N 0.97 0.92 -0.45 3.04 3.38 -1.59 -2.87 115.31 118.71 2jbj h LEU 441 Ca 0.21 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2jbj h LEU 441 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jbj h LEU 441 CO -0.01 1.07 -0.08 -0.07 0.09 0.00 0.00 178.44 179.45 2jbj h LEU 442 N 0.75 0.85 -0.61 1.67 3.38 -0.96 -0.04 115.31 120.36 2jbj h LEU 442 Ca 0.12 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 2jbj h LEU 442 Cb 0.68 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2jbj h LEU 442 CO 0.05 1.00 -0.48 0.06 0.09 0.00 0.00 178.44 179.16 2jbj h GLN 443 N 0.69 0.00 0.00 1.13 3.07 -0.90 0.12 115.11 119.22 2jbj h GLN 443 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 2jbj h GLN 443 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.17 2jbj h GLN 443 CO 0.04 0.48 -1.07 0.39 0.09 0.00 0.00 178.83 178.76 2jbj n GLU 444 N -3.46 0.57 -0.00 0.06 -0.58 -1.08 -4.58 120.64 111.56 2jbj n GLU 444 Ca 0.00 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2jbj n GLU 444 Cb 0.61 -1.77 -0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2jbj n GLU 444 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jbj n ARG 445 N -2.55 4.07 -2.09 3.49 1.74 -0.03 -5.03 116.66 116.26 2jbj n ARG 445 Ca -0.00 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 2jbj n ARG 445 Cb 0.54 -0.73 -0.03 0.00 -1.02 0.00 0.00 32.46 31.22 2jbj n ARG 445 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2jbj s GLY 446 N -1.47 0.69 -0.10 -0.13 0.00 0.42 -1.33 107.32 105.40 2jbj s GLY 446 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 44.72 44.36 2jbj s GLY 446 CO 0.03 3.20 0.88 -2.08 0.00 0.00 0.00 173.10 175.13 2jbj h VAL 447 N 6.75 1.49 -2.23 1.40 2.07 -0.92 -3.45 116.25 121.36 2jbj h VAL 447 Ca -0.30 -1.81 0.08 0.00 0.82 0.00 0.00 66.70 65.49 2jbj h VAL 447 Cb 1.15 2.67 -0.16 0.00 -1.52 0.00 0.00 31.29 33.43 2jbj h VAL 447 CO 1.10 0.45 0.46 0.00 0.02 0.00 0.00 177.57 179.60 2jbj s ALA 448 N -2.96 -1.81 -0.06 1.67 0.00 -1.22 -4.01 121.76 113.36 2jbj s ALA 448 Ca -0.16 1.06 0.02 0.00 0.00 0.00 0.00 51.96 52.88 2jbj s ALA 448 Cb -0.01 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.40 2jbj s ALA 448 CO 0.63 -0.62 -0.10 -0.47 0.00 0.00 0.00 175.76 175.20 2jbj s TYR 449 N -2.78 1.24 -0.18 0.00 5.04 0.06 -1.27 117.35 119.45 2jbj s TYR 449 Ca 0.03 -0.43 -0.00 0.00 -2.44 0.00 0.00 57.07 54.22 2jbj s TYR 449 Cb -0.01 -0.94 0.01 0.00 0.35 0.00 0.00 41.96 41.37 2jbj s TYR 449 CO -0.07 -0.25 -0.16 0.42 -1.34 0.00 0.00 175.55 174.16 2jbj s ILE 450 N 0.72 2.44 0.56 3.14 -1.09 0.30 -1.58 121.20 125.69 2jbj s ILE 450 Ca -0.14 -0.82 -0.08 0.00 -2.23 0.00 0.00 60.65 57.39 2jbj s ILE 450 Cb -0.15 -2.05 -0.03 0.00 -1.58 0.00 0.00 42.46 38.65 2jbj s ILE 450 CO 0.03 0.51 0.90 0.21 -1.23 0.00 0.00 174.94 175.36 2jbj s ASN 451 N 1.25 6.14 -0.42 3.58 2.47 -0.38 -1.08 114.94 126.50 2jbj s ASN 451 Ca 0.03 1.10 0.09 0.00 0.42 0.00 0.00 52.86 54.49 2jbj s ASN 451 Cb -0.14 -2.25 0.34 0.00 -1.45 0.00 0.00 41.25 37.75 2jbj s ASN 451 CO -0.09 -0.78 1.01 0.00 -3.72 0.00 0.00 177.10 173.53 2jbj n ALA 452 N -2.51 0.46 -1.44 1.71 0.00 0.96 -4.66 120.51 115.03 2jbj n ALA 452 Ca 0.03 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.35 2jbj n ALA 452 Cb 0.55 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2jbj n ALA 452 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jbj n ASP 453 N 0.23 0.00 -1.88 0.00 -0.08 -1.26 -3.96 116.55 109.60 2jbj n ASP 453 Ca 0.11 -0.51 -0.27 0.00 -1.51 0.00 0.00 54.79 52.62 2jbj n ASP 453 Cb 0.71 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.13 2jbj n ASP 453 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2jbj n SER 454 N -1.52 0.46 0.11 1.67 7.64 -1.26 -3.80 113.62 116.92 2jbj n SER 454 Ca 0.00 0.45 -0.03 0.00 1.01 0.00 0.00 58.87 60.30 2jbj n SER 454 Cb 0.00 -0.35 0.15 0.00 -1.01 0.00 0.00 64.21 63.00 2jbj n SER 454 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jbj h SER 455 N 2.25 0.14 -3.90 6.43 0.02 -1.83 -3.45 113.55 113.21 2jbj h SER 455 Ca -0.16 -0.08 -0.45 0.00 -0.84 0.00 0.00 61.79 60.27 2jbj h SER 455 Cb 0.55 -0.04 -0.30 0.00 0.14 0.00 0.00 62.40 62.75 2jbj h SER 455 CO 0.40 0.71 -0.80 0.27 -1.14 0.00 0.00 176.83 176.27 2jbj s ILE 456 N -3.70 0.90 -0.03 3.27 -0.00 -1.26 0.70 121.20 121.07 2jbj s ILE 456 Ca -0.03 -0.44 0.05 0.00 -0.00 0.00 0.00 60.65 60.23 2jbj s ILE 456 Cb 0.12 -0.79 0.08 0.00 -0.00 0.00 0.00 42.46 41.87 2jbj s ILE 456 CO 0.78 0.27 0.95 -1.84 -0.00 0.00 0.00 174.94 175.10 2jbj n GLU 457 N 3.14 1.73 -3.05 0.37 0.28 0.80 -4.92 120.64 118.99 2jbj n GLU 457 Ca -0.17 -1.56 0.00 0.00 -0.16 0.00 0.00 57.16 55.27 2jbj n GLU 457 Cb 0.55 -1.00 0.00 0.00 1.43 0.00 0.00 31.44 32.42 2jbj n GLU 457 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jbj n GLY 458 N -0.61 -1.19 1.24 -1.84 0.00 -1.22 -4.08 105.19 97.48 2jbj n GLY 458 Ca 0.04 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.27 2jbj n GLY 458 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jbj n ASN 459 N 0.13 0.50 -0.08 1.61 0.23 -1.09 -4.12 115.26 112.44 2jbj n ASN 459 Ca 0.00 -1.96 -0.14 0.00 -0.53 0.00 0.00 54.58 51.94 2jbj n ASN 459 Cb 0.00 -0.18 -0.10 0.00 -2.08 0.00 0.00 39.78 37.42 2jbj n ASN 459 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2jbj h TYR 460 N 0.66 0.00 -2.60 -2.53 3.20 -1.10 -3.49 116.97 111.11 2jbj h TYR 460 Ca -0.24 0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.76 2jbj h TYR 460 Cb 1.72 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.93 2jbj h TYR 460 CO 0.09 0.97 0.41 -0.08 -1.64 0.00 0.00 178.16 177.91 2jbj s THR 461 N -2.19 0.00 0.32 1.81 -1.32 -0.97 -4.98 115.64 108.30 2jbj s THR 461 Ca -0.20 -0.78 -0.29 0.00 -1.21 0.00 0.00 61.69 59.21 2jbj s THR 461 Cb 0.01 -2.20 -0.12 0.00 -1.51 0.00 0.00 72.50 68.68 2jbj s THR 461 CO 0.53 0.00 1.55 -0.11 -2.21 0.00 0.00 174.62 174.38 2jbj n LEU 462 N -0.50 4.44 -3.98 9.08 7.94 -1.26 0.84 117.00 133.55 2jbj n LEU 462 Ca -0.05 1.17 -0.29 0.00 -1.11 0.00 0.00 56.01 55.73 2jbj n LEU 462 Cb 0.60 -1.60 -0.17 0.00 0.53 0.00 0.00 43.42 42.79 2jbj n LEU 462 CO 0.16 0.13 -0.47 -0.60 -1.11 0.00 0.00 177.39 175.50 2jbj s ARG 463 N -1.01 2.05 -0.12 1.96 3.52 0.50 -4.82 118.95 121.03 2jbj s ARG 463 Ca 0.61 -0.50 0.03 0.00 -0.13 0.00 0.00 55.73 55.73 2jbj s ARG 463 Cb -0.49 -1.99 0.01 0.00 -1.56 0.00 0.00 34.95 30.91 2jbj s ARG 463 CO 0.53 -0.27 -0.20 0.08 -0.81 0.00 0.00 175.30 174.64 2jbj s VAL 464 N 1.54 1.87 -0.12 7.11 1.01 -1.26 -1.57 120.40 128.98 2jbj s VAL 464 Ca 0.04 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2jbj s VAL 464 Cb -0.13 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 2jbj s VAL 464 CO -0.10 0.51 -0.20 -1.81 0.00 0.00 0.00 175.10 173.51 2jbj s ASP 465 N 0.77 3.41 0.26 3.32 1.11 -0.47 -1.71 116.67 123.37 2jbj s ASP 465 Ca -0.09 -0.49 -0.22 0.00 0.18 0.00 0.00 52.55 51.94 2jbj s ASP 465 Cb -0.16 -1.49 0.03 0.00 1.07 0.00 0.00 42.92 42.37 2jbj s ASP 465 CO 0.00 0.15 0.74 0.00 1.18 0.00 0.00 175.17 177.25 2jbj s THR 467 N -3.84 2.35 0.55 0.00 -1.32 -0.73 -4.55 115.64 108.09 2jbj s THR 467 Ca 0.11 0.25 0.32 0.00 -1.21 0.00 0.00 61.69 61.17 2jbj s THR 467 Cb -0.05 -3.12 0.48 0.00 -1.51 0.00 0.00 72.50 68.30 2jbj s THR 467 CO 0.06 -0.01 1.85 -0.65 -2.21 0.00 0.00 174.62 173.66 2jbj h PRO 468 N 1.49 0.00 0.00 7.08 0.11 -1.93 -1.88 132.00 136.86 2jbj h PRO 468 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jbj h PRO 468 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2jbj h PRO 468 CO 0.57 0.00 0.10 -0.07 -0.21 0.00 0.00 178.00 178.40 2jbj h LEU 469 N 0.00 0.00 -1.25 2.35 3.38 -1.91 -2.63 115.31 115.24 2jbj h LEU 469 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2jbj h LEU 469 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 2jbj h LEU 469 CO -0.00 0.00 -0.02 0.23 0.09 0.00 0.00 178.44 178.74 2jbj n MET 470 N -2.37 0.43 -0.07 1.13 2.81 -0.71 -2.84 117.12 115.51 2jbj n MET 470 Ca -0.02 -0.95 -0.07 0.00 -1.81 0.00 0.00 57.70 54.86 2jbj n MET 470 Cb 0.14 -1.14 -0.01 0.00 -0.71 0.00 0.00 33.22 31.50 2jbj n MET 470 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 2jbj h TYR 471 N 1.57 -0.07 -0.27 2.03 -1.99 -1.57 -1.00 116.97 115.67 2jbj h TYR 471 Ca 0.00 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 2jbj h TYR 471 Cb 0.34 0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.14 2jbj h TYR 471 CO 0.00 -0.08 -0.03 1.03 -0.00 0.00 0.00 178.16 179.09 2jbj h SER 472 N 0.04 0.49 -0.63 3.88 0.87 -1.83 0.64 113.55 117.01 2jbj h SER 472 Ca 0.13 -0.33 0.12 0.00 -1.23 0.00 0.00 61.79 60.48 2jbj h SER 472 Cb 0.18 -0.13 -0.12 0.00 -0.44 0.00 0.00 62.40 61.89 2jbj h SER 472 CO -0.25 0.71 -0.22 0.25 -0.53 0.00 0.00 176.83 176.79 2jbj h LEU 473 N 0.26 -0.79 -0.39 2.23 5.85 -1.69 -0.80 115.31 119.98 2jbj h LEU 473 Ca 0.07 0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 2jbj h LEU 473 Cb 0.47 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2jbj h LEU 473 CO 0.02 -0.25 0.04 0.58 -0.34 0.00 0.00 178.44 178.48 2jbj h VAL 474 N -0.06 1.25 -0.38 1.05 2.07 -0.99 0.88 116.25 120.07 2jbj h VAL 474 Ca 0.29 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.95 2jbj h VAL 474 Cb 0.51 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2jbj h VAL 474 CO -0.68 0.31 0.06 0.45 0.02 0.00 0.00 177.57 177.74 2jbj h HIS 475 N 0.49 0.10 -0.31 1.57 3.86 -0.68 -2.00 115.15 118.17 2jbj h HIS 475 Ca 0.11 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.25 2jbj h HIS 475 Cb 0.41 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2jbj h HIS 475 CO 0.03 -0.00 -0.18 -0.91 0.86 0.00 0.00 177.93 177.73 2jbj h ASN 476 N 0.18 0.70 -0.09 2.45 4.21 -0.96 -2.90 115.58 119.17 2jbj h ASN 476 Ca 0.18 -0.42 0.00 0.00 1.21 0.00 0.00 56.30 57.27 2jbj h ASN 476 Cb 0.22 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 37.22 2jbj h ASN 476 CO -0.25 0.97 0.06 0.25 -1.29 0.00 0.00 177.43 177.17 2jbj h LEU 477 N 0.44 0.10 -1.23 1.61 5.85 -0.76 -3.09 115.31 118.23 2jbj h LEU 477 Ca 0.07 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 2jbj h LEU 477 Cb 0.72 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2jbj h LEU 477 CO 0.05 0.08 0.03 0.71 -0.34 0.00 0.00 178.44 178.97 2jbj h THR 478 N 0.11 1.20 0.00 1.05 1.35 -1.34 -0.17 112.91 115.11 2jbj h THR 478 Ca 0.03 -0.76 -0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2jbj h THR 478 Cb -0.01 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 67.31 2jbj h THR 478 CO -0.01 0.26 -0.00 0.11 -0.25 0.00 0.00 175.52 175.64 2jbj h LYS 479 N 0.54 0.00 -0.30 4.72 1.57 -1.50 -2.04 116.57 119.56 2jbj h LYS 479 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2jbj h LYS 479 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2jbj h LYS 479 CO 0.01 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.28 2jbj n GLU 480 N -3.25 2.24 -4.71 3.15 -0.58 -0.09 -4.87 120.64 112.53 2jbj n GLU 480 Ca -0.03 -1.87 -0.31 0.00 -0.42 0.00 0.00 57.16 54.54 2jbj n GLU 480 Cb 0.08 -1.47 -0.13 0.00 -0.57 0.00 0.00 31.44 29.35 2jbj n GLU 480 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jbj s LEU 481 N -1.53 2.57 0.14 -4.62 1.43 -0.80 -5.05 118.68 110.82 2jbj s LEU 481 Ca 0.36 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.74 2jbj s LEU 481 Cb 0.21 -1.50 -0.07 0.00 0.03 0.00 0.00 46.19 44.86 2jbj s LEU 481 CO 0.30 0.26 1.07 -0.54 0.23 0.00 0.00 176.35 177.67 2jbj s LYS 482 N -1.35 4.60 0.17 1.70 1.02 -1.26 0.06 119.74 124.68 2jbj s LYS 482 Ca 0.14 1.64 -0.30 0.00 0.02 0.00 0.00 55.97 57.47 2jbj s LYS 482 Cb -0.10 -3.32 -0.08 0.00 -0.52 0.00 0.00 37.83 33.81 2jbj s LYS 482 CO 0.04 0.06 1.21 0.45 -0.92 0.00 0.00 175.35 176.20 2jbj s SER 483 N 0.12 7.07 0.00 2.83 0.15 0.06 -4.28 113.70 119.65 2jbj s SER 483 Ca 0.50 2.21 0.15 0.00 0.70 0.00 0.00 55.95 59.51 2jbj s SER 483 Cb -0.27 -2.60 0.43 0.00 -1.71 0.00 0.00 66.02 61.86 2jbj s SER 483 CO 0.33 -0.40 1.36 -0.81 1.20 0.00 0.00 173.24 174.91 2jbj n PRO 484 N 2.74 2.11 -2.83 5.44 -0.04 -1.26 -4.68 135.00 136.47 2jbj n PRO 484 Ca 0.05 -1.72 -0.39 0.00 -0.04 0.00 0.00 63.50 61.40 2jbj n PRO 484 Cb 0.45 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 2jbj n PRO 484 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jbj s ASP 485 N -1.01 7.52 0.01 3.54 1.11 -1.26 -4.97 116.67 121.61 2jbj s ASP 485 Ca 0.32 1.83 -0.30 0.00 0.18 0.00 0.00 52.55 54.58 2jbj s ASP 485 Cb 0.17 -2.57 -0.06 0.00 1.07 0.00 0.00 42.92 41.53 2jbj s ASP 485 CO 0.22 0.15 1.54 -1.61 1.18 0.00 0.00 175.17 176.65 2jbj s GLU 486 N -1.29 4.23 0.00 8.23 8.01 -1.26 -1.36 118.70 135.26 2jbj s GLU 486 Ca 0.40 2.14 0.00 0.00 0.01 0.00 0.00 54.97 57.52 2jbj s GLU 486 Cb -0.24 -3.67 0.00 0.00 -4.31 0.00 0.00 34.13 25.91 2jbj s GLU 486 CO 0.29 -0.69 0.00 0.41 0.01 0.00 0.00 175.26 175.28 2jbj n GLY 487 N 3.87 0.67 0.93 -1.39 0.00 -1.26 -4.90 105.19 103.11 2jbj n GLY 487 Ca 0.15 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.80 2jbj n GLY 487 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jbj n PHE 488 N -2.58 0.00 -2.11 1.61 3.72 -0.46 -5.04 117.46 112.59 2jbj n PHE 488 Ca 0.00 -0.58 -0.37 0.00 -0.05 0.00 0.00 57.45 56.45 2jbj n PHE 488 Cb 0.00 -0.14 0.01 0.00 -0.94 0.00 0.00 39.48 38.41 2jbj n PHE 488 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2jbj s GLU 489 N -0.84 3.50 0.00 -1.08 1.03 -1.25 -0.94 118.70 119.12 2jbj s GLU 489 Ca 0.25 1.88 0.00 0.00 0.03 0.00 0.00 54.97 57.13 2jbj s GLU 489 Cb 0.27 -2.29 0.00 0.00 -0.80 0.00 0.00 34.13 31.30 2jbj s GLU 489 CO -0.09 -0.80 0.00 0.41 -1.33 0.00 0.00 175.26 173.46 2jbj n GLY 490 N 0.50 0.68 3.94 -3.83 0.00 -1.26 -5.01 105.19 100.21 2jbj n GLY 490 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2jbj n GLY 490 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbj s LYS 491 N -0.21 3.32 0.48 1.61 3.01 -0.11 -5.01 119.74 122.83 2jbj s LYS 491 Ca 0.00 -0.35 -0.14 0.00 -1.01 0.00 0.00 55.97 54.46 2jbj s LYS 491 Cb 0.00 -2.60 -0.07 0.00 -1.01 0.00 0.00 37.83 34.15 2jbj s LYS 491 CO 0.00 -0.05 0.91 -1.54 0.51 0.00 0.00 175.35 175.19 2jbj s SER 492 N -4.11 6.58 0.31 2.83 1.04 -1.26 -0.76 113.70 118.33 2jbj s SER 492 Ca 0.44 1.42 0.01 0.00 0.48 0.00 0.00 55.95 58.30 2jbj s SER 492 Cb -0.10 -2.45 0.54 0.00 0.10 0.00 0.00 66.02 64.11 2jbj s SER 492 CO 0.37 -0.53 1.93 0.25 0.98 0.00 0.00 173.24 176.25 2jbj h LEU 493 N 1.02 0.89 -0.59 2.42 5.85 -0.27 -1.52 115.31 123.11 2jbj h LEU 493 Ca -0.47 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.37 2jbj h LEU 493 Cb 1.19 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 2jbj h LEU 493 CO 0.62 0.59 0.01 0.22 -0.34 0.00 0.00 178.44 179.54 2jbj h TYR 494 N 1.02 -0.02 -0.08 1.25 3.20 -1.70 0.37 116.97 121.01 2jbj h TYR 494 Ca 0.36 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.26 2jbj h TYR 494 Cb 0.13 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2jbj h TYR 494 CO -0.00 -0.14 -0.02 0.93 -1.64 0.00 0.00 178.16 177.29 2jbj h GLU 495 N 0.13 0.14 -0.73 1.82 4.39 -1.60 0.43 114.58 119.16 2jbj h GLU 495 Ca 0.31 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.89 2jbj h GLU 495 Cb 0.48 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2jbj h GLU 495 CO -0.49 0.46 0.20 0.66 -1.16 0.00 0.00 179.01 178.69 2jbj h SER 496 N -0.19 1.09 -0.58 1.42 4.64 -1.11 0.14 113.55 118.95 2jbj h SER 496 Ca 0.02 -0.22 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 2jbj h SER 496 Cb 0.41 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2jbj h SER 496 CO 0.01 1.02 0.13 -0.25 -0.87 0.00 0.00 176.83 176.87 2jbj h TRP 497 N 1.10 1.00 -0.34 4.77 7.01 -0.16 0.13 115.95 129.46 2jbj h TRP 497 Ca 0.23 -0.13 -0.09 0.00 2.11 0.00 0.00 58.89 61.02 2jbj h TRP 497 Cb 0.34 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2jbj h TRP 497 CO 0.03 0.85 -0.14 1.15 -2.79 0.00 0.00 178.44 177.54 2jbj h THR 498 N 0.85 1.29 -0.89 2.65 2.02 0.25 0.41 112.91 119.49 2jbj h THR 498 Ca 0.18 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 66.13 2jbj h THR 498 Cb 0.37 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 2jbj h THR 498 CO 0.01 0.40 0.59 0.11 0.37 0.00 0.00 175.52 177.00 2jbj h LYS 499 N 0.47 1.16 0.00 6.66 6.56 -0.46 -3.12 116.57 127.83 2jbj h LYS 499 Ca 0.08 -0.07 -0.18 0.00 -1.06 0.00 0.00 60.65 59.41 2jbj h LYS 499 Cb 0.67 -0.26 -0.03 0.00 -0.57 0.00 0.00 32.23 32.04 2jbj h LYS 499 CO 0.05 0.77 -1.18 0.87 -2.06 0.00 0.00 179.45 177.89 2jbj h LYS 500 N 1.19 0.00 -2.16 3.15 1.57 -0.52 -3.39 116.57 116.41 2jbj h LYS 500 Ca 0.33 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.54 2jbj h LYS 500 Cb -0.11 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 31.81 2jbj h LYS 500 CO -0.08 0.50 -1.03 0.45 -0.57 0.00 0.00 179.45 178.72 2jbj n SER 501 N -3.08 0.21 -4.78 0.86 2.88 0.12 -5.05 113.62 104.78 2jbj n SER 501 Ca -0.07 -2.64 -0.35 0.00 -1.33 0.00 0.00 58.87 54.48 2jbj n SER 501 Cb 0.87 -0.62 -0.01 0.00 -0.75 0.00 0.00 64.21 63.71 2jbj n SER 501 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jbj s PRO 502 N -0.85 3.57 0.34 -1.46 0.04 -1.18 -1.20 135.00 134.26 2jbj s PRO 502 Ca 0.34 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.68 2jbj s PRO 502 Cb 0.12 -2.13 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 2jbj s PRO 502 CO -0.14 -0.66 1.53 0.45 0.04 0.00 0.00 177.00 178.23 2jbj s SER 503 N -1.73 6.34 0.07 6.66 0.15 0.30 -4.06 113.70 121.43 2jbj s SER 503 Ca 0.69 3.02 -0.16 0.00 0.70 0.00 0.00 55.95 60.20 2jbj s SER 503 Cb -0.23 -2.66 -0.15 0.00 -1.71 0.00 0.00 66.02 61.27 2jbj s SER 503 CO 0.27 -0.90 1.29 -0.65 1.20 0.00 0.00 173.24 174.45 2jbj h PRO 504 N 3.74 0.61 -0.12 5.44 0.11 -1.89 -3.34 132.00 136.55 2jbj h PRO 504 Ca -0.49 -0.45 0.04 0.00 0.11 0.00 0.00 66.00 65.21 2jbj h PRO 504 Cb 1.23 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.37 2jbj h PRO 504 CO 0.70 1.07 -0.18 1.05 -0.21 0.00 0.00 178.00 180.43 2jbj h GLU 505 N 0.27 -0.23 0.00 1.05 9.09 -1.96 -3.49 114.58 119.32 2jbj h GLU 505 Ca -0.02 0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2jbj h GLU 505 Cb 1.11 0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2jbj h GLU 505 CO 0.10 -0.15 0.00 1.19 0.05 0.00 0.00 179.01 180.20 2jbj n PHE 506 N -5.32 0.00 0.00 2.06 3.72 -1.26 -5.07 117.46 111.60 2jbj n PHE 506 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2jbj n PHE 506 Cb 0.24 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 2jbj n PHE 506 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jbj n SER 507 N 0.00 0.00 -3.05 4.37 7.64 -1.26 -4.79 113.62 116.52 2jbj n SER 507 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 2jbj n SER 507 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2jbj n SER 507 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jbj n GLY 508 N 4.68 2.97 3.24 0.23 0.00 -1.26 -4.52 105.19 110.52 2jbj n GLY 508 Ca 0.00 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 2jbj n GLY 508 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jbj s MET 509 N 3.25 1.01 0.69 1.61 1.00 -1.26 -5.05 119.30 120.55 2jbj s MET 509 Ca 0.38 -1.13 -0.11 0.00 0.00 0.00 0.00 55.69 54.84 2jbj s MET 509 Cb 0.11 -1.10 0.00 0.00 0.00 0.00 0.00 34.83 33.84 2jbj s MET 509 CO -0.03 0.24 1.07 -1.25 0.00 0.00 0.00 175.02 175.05 2jbj s PRO 510 N -2.07 2.99 0.15 2.03 0.04 -1.26 0.11 135.00 136.99 2jbj s PRO 510 Ca 0.05 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 2jbj s PRO 510 Cb -0.09 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 2jbj s PRO 510 CO 0.04 -0.99 1.12 0.50 0.04 0.00 0.00 177.00 177.70 2jbj s ARG 511 N -5.19 4.56 -0.08 4.56 3.52 -0.34 -4.04 118.95 121.93 2jbj s ARG 511 Ca 0.58 1.72 0.02 0.00 -0.13 0.00 0.00 55.73 57.92 2jbj s ARG 511 Cb -0.12 -3.30 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 2jbj s ARG 511 CO 0.54 -0.00 -0.15 0.42 -0.81 0.00 0.00 175.30 175.29 2jbj s ILE 512 N 0.09 1.39 0.38 4.11 1.01 -1.26 -4.60 121.20 122.31 2jbj s ILE 512 Ca 0.51 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.62 2jbj s ILE 512 Cb -0.29 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 40.93 2jbj s ILE 512 CO 0.33 0.41 0.52 -0.44 0.00 0.00 0.00 174.94 175.77 2jbj s SER 513 N 0.68 5.82 0.56 3.58 0.01 -0.69 -4.93 113.70 118.73 2jbj s SER 513 Ca -0.14 -0.27 -0.18 0.00 1.31 0.00 0.00 55.95 56.67 2jbj s SER 513 Cb -0.16 -0.98 -0.05 0.00 0.21 0.00 0.00 66.02 65.04 2jbj s SER 513 CO 0.04 -0.59 1.09 -0.54 0.41 0.00 0.00 173.24 173.64 2jbj s LYS 514 N -4.27 3.35 -0.07 12.44 1.02 -1.26 -2.19 119.74 128.76 2jbj s LYS 514 Ca 0.50 1.41 -0.27 0.00 0.02 0.00 0.00 55.97 57.63 2jbj s LYS 514 Cb -0.10 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 2jbj s LYS 514 CO 0.32 -0.81 0.86 -0.51 -0.92 0.00 0.00 175.35 174.29 2jbj s LEU 515 N -4.09 4.30 0.00 3.17 1.43 -1.26 -4.39 118.68 117.83 2jbj s LEU 515 Ca 0.68 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2jbj s LEU 515 Cb -0.19 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.68 2jbj s LEU 515 CO 0.30 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.23 2jbj n GLY 516 N 3.10 0.98 0.00 -3.19 0.00 -1.26 -4.37 105.19 100.45 2jbj n GLY 516 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2jbj n GLY 516 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jbj n SER 517 N 0.00 0.00 0.00 1.61 2.88 -0.39 -4.58 113.62 113.14 2jbj n SER 517 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jbj n SER 517 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jbj n SER 517 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jbj n GLY 518 N 0.00 0.44 3.82 0.46 0.00 -1.26 -4.38 105.19 104.27 2jbj n GLY 518 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 2jbj n GLY 518 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jbj s ASN 519 N -2.90 -0.06 0.00 1.61 3.84 -1.26 -5.04 114.94 111.13 2jbj s ASN 519 Ca 0.00 -0.52 0.18 0.00 0.21 0.00 0.00 52.86 52.72 2jbj s ASN 519 Cb 0.00 0.45 0.76 0.00 -0.55 0.00 0.00 41.25 41.91 2jbj s ASN 519 CO 0.00 -0.88 1.56 0.47 -2.79 0.00 0.00 177.10 175.46 2jbj n ASP 520 N -0.90 0.00 0.07 -4.21 8.00 -1.26 -1.74 116.55 116.51 2jbj n ASP 520 Ca -0.04 0.48 0.12 0.00 0.71 0.00 0.00 54.79 56.05 2jbj n ASP 520 Cb 0.60 -0.49 0.46 0.00 -0.02 0.00 0.00 41.12 41.67 2jbj n ASP 520 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2jbj n PHE 521 N -1.49 0.50 -0.10 1.24 1.16 -1.26 -4.15 117.46 113.36 2jbj n PHE 521 Ca 0.04 0.17 -0.05 0.00 -1.87 0.00 0.00 57.45 55.74 2jbj n PHE 521 Cb 0.20 -0.77 0.01 0.00 -1.61 0.00 0.00 39.48 37.31 2jbj n PHE 521 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2jbj h GLU 522 N 0.00 -0.03 -0.31 3.97 4.81 -1.65 -1.43 114.58 119.94 2jbj h GLU 522 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 2jbj h GLU 522 Cb 0.47 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2jbj h GLU 522 CO 0.00 -0.02 -0.38 -0.24 -0.73 0.00 0.00 179.01 177.64 2jbj h VAL 523 N -0.04 1.29 -0.68 0.32 3.04 -1.85 0.38 116.25 118.71 2jbj h VAL 523 Ca 0.18 -1.54 -0.06 0.00 -1.01 0.00 0.00 66.70 64.27 2jbj h VAL 523 Cb 0.31 1.46 -0.03 0.00 -2.01 0.00 0.00 31.29 31.02 2jbj h VAL 523 CO -0.40 0.50 0.20 -0.26 -1.01 0.00 0.00 177.57 176.60 2jbj h PHE 524 N 0.59 1.11 0.00 3.17 0.04 -1.65 -1.67 116.94 118.53 2jbj h PHE 524 Ca 0.05 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 2jbj h PHE 524 Cb 0.91 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 2jbj h PHE 524 CO 0.05 0.90 -0.48 0.35 -0.60 0.00 0.00 178.31 178.52 2jbj h PHE 525 N 1.00 0.00 -0.04 -0.55 3.57 -1.17 0.28 116.94 120.03 2jbj h PHE 525 Ca 0.22 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.48 2jbj h PHE 525 Cb 0.32 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.07 2jbj h PHE 525 CO 0.02 0.31 -0.94 1.96 -2.23 0.00 0.00 178.31 177.44 2jbj h GLN 526 N -1.00 0.63 0.01 1.11 1.08 -1.07 -1.59 115.11 114.28 2jbj h GLN 526 Ca -0.06 -0.63 -0.24 0.00 -1.45 0.00 0.00 58.65 56.27 2jbj h GLN 526 Cb 0.55 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.11 2jbj h GLN 526 CO -0.03 1.23 -1.32 -2.13 -0.95 0.00 0.00 178.83 175.63 2jbj n ARG 527 N -3.85 0.57 0.06 1.46 0.63 -1.00 -1.14 116.66 113.40 2jbj n ARG 527 Ca -0.09 0.56 0.11 0.00 -0.92 0.00 0.00 57.85 57.52 2jbj n ARG 527 Cb 0.83 -1.74 -0.02 0.00 0.45 0.00 0.00 32.46 31.98 2jbj n ARG 527 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jbj n LEU 528 N -4.39 0.61 -1.43 6.15 4.77 -0.66 -4.66 117.00 117.38 2jbj n LEU 528 Ca -0.33 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 55.72 2jbj n LEU 528 Cb 0.70 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.75 2jbj n LEU 528 CO 0.19 -0.08 0.02 0.61 -1.33 0.00 0.00 177.39 176.80 2jbj n GLY 529 N 1.26 0.22 3.70 -0.72 0.00 -0.60 -4.83 105.19 104.22 2jbj n GLY 529 Ca -0.00 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 2jbj n GLY 529 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jbj s ILE 530 N -2.85 5.27 0.20 -0.61 1.01 0.95 -2.23 121.20 122.94 2jbj s ILE 530 Ca 0.14 0.60 -0.33 0.00 0.00 0.00 0.00 60.65 61.07 2jbj s ILE 530 Cb -0.06 -3.67 -0.13 0.00 0.01 0.00 0.00 42.46 38.61 2jbj s ILE 530 CO 0.18 0.33 1.56 0.00 0.00 0.00 0.00 174.94 177.01 2jbj n ALA 531 N 3.96 1.65 -2.89 9.38 0.00 -1.26 -3.96 120.51 127.40 2jbj n ALA 531 Ca -0.11 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.64 2jbj n ALA 531 Cb 0.52 -2.37 -0.12 0.00 0.00 0.00 0.00 19.45 17.47 2jbj n ALA 531 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jbj s SER 532 N 0.74 0.35 0.15 0.00 0.01 -1.26 -0.76 113.70 112.94 2jbj s SER 532 Ca 0.74 -0.31 -0.06 0.00 1.31 0.00 0.00 55.95 57.63 2jbj s SER 532 Cb -0.63 0.03 -0.02 0.00 0.21 0.00 0.00 66.02 65.62 2jbj s SER 532 CO 0.41 -0.14 0.21 -0.83 0.41 0.00 0.00 173.24 173.30 2jbj s GLY 533 N -0.87 0.64 0.02 3.44 0.00 -0.61 -1.78 107.32 108.17 2jbj s GLY 533 Ca -0.08 -1.08 -0.08 0.00 0.00 0.00 0.00 44.72 43.49 2jbj s GLY 533 CO -0.00 -1.01 0.15 1.09 0.00 0.00 0.00 173.10 173.33 2jbj s ARG 534 N -3.99 0.58 -0.11 2.90 1.70 0.03 -1.24 118.95 118.80 2jbj s ARG 534 Ca 0.19 -0.55 -0.06 0.00 -0.47 0.00 0.00 55.73 54.84 2jbj s ARG 534 Cb 0.05 0.24 0.04 0.00 -0.57 0.00 0.00 34.95 34.71 2jbj s ARG 534 CO 0.01 -0.15 0.27 0.00 -1.08 0.00 0.00 175.30 174.35 2jbj s ALA 535 N -2.02 -0.64 0.17 7.88 0.00 -1.26 -1.36 121.76 124.52 2jbj s ALA 535 Ca -0.10 1.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.80 2jbj s ALA 535 Cb -0.04 -0.65 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 2jbj s ALA 535 CO -0.01 -0.20 0.32 -0.98 0.00 0.00 0.00 175.76 174.89 2jbj s ARG 536 N 1.11 1.20 0.24 0.00 3.03 -0.61 -4.89 118.95 119.03 2jbj s ARG 536 Ca -0.08 -1.14 -0.22 0.00 2.03 0.00 0.00 55.73 56.33 2jbj s ARG 536 Cb -0.09 0.40 -0.09 0.00 -1.03 0.00 0.00 34.95 34.14 2jbj s ARG 536 CO -0.08 -0.45 0.79 0.71 -1.13 0.00 0.00 175.30 175.14 2jbj s TYR 537 N -3.96 3.68 0.32 5.89 1.51 0.22 -0.37 117.35 124.64 2jbj s TYR 537 Ca 0.16 1.52 0.03 0.00 -1.01 0.00 0.00 57.07 57.77 2jbj s TYR 537 Cb 0.03 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.12 2jbj s TYR 537 CO -0.00 0.32 0.13 -0.08 -1.11 0.00 0.00 175.55 174.81 2jbj s THR 538 N -1.51 0.51 0.21 -0.71 -1.32 0.25 -0.14 115.64 112.93 2jbj s THR 538 Ca 0.44 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.91 2jbj s THR 538 Cb -0.18 -2.54 0.05 0.00 -1.51 0.00 0.00 72.50 68.32 2jbj s THR 538 CO 0.22 0.00 0.29 2.29 -2.21 0.00 0.00 174.62 175.21 2jbj n LYS 539 N -0.64 0.14 -0.11 7.08 2.85 -1.26 -0.51 118.16 125.72 2jbj n LYS 539 Ca -0.01 -0.65 -0.00 0.00 -1.05 0.00 0.00 58.31 56.60 2jbj n LYS 539 Cb 0.65 -0.24 0.00 0.00 -0.65 0.00 0.00 35.03 34.79 2jbj n LYS 539 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2jbj n ASN 540 N -3.07 3.49 0.00 -5.58 2.85 -1.26 -4.69 115.26 107.01 2jbj n ASN 540 Ca 0.04 -2.10 0.00 0.00 -0.11 0.00 0.00 54.58 52.42 2jbj n ASN 540 Cb 0.15 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 40.54 2jbj n ASN 540 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2jbj n PHE 546 N 0.70 0.00 0.02 1.20 0.99 -1.26 -5.19 117.46 113.92 2jbj n PHE 546 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.45 2jbj n PHE 546 Cb 0.51 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 38.90 2jbj n PHE 546 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2jbj n SER 547 N 0.00 0.82 0.00 4.37 7.64 -1.26 -4.28 113.62 120.91 2jbj n SER 547 Ca 0.00 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2jbj n SER 547 Cb 0.00 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2jbj n SER 547 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jbj n GLY 548 N 1.41 0.94 3.44 0.23 0.00 -1.26 -4.68 105.19 105.28 2jbj n GLY 548 Ca -0.11 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 2jbj n GLY 548 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jbj n TYR 549 N 1.16 -1.10 -0.04 1.61 0.18 -1.26 -4.91 117.16 112.80 2jbj n TYR 549 Ca 0.00 -0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.77 2jbj n TYR 549 Cb 0.00 -1.70 0.26 0.00 -0.38 0.00 0.00 39.34 37.51 2jbj n TYR 549 CO 0.00 0.00 0.00 -1.35 -2.08 0.00 0.00 176.86 173.43 2jbj h PRO 550 N -2.39 0.62 -0.50 -3.48 0.11 -1.82 -2.87 132.00 121.66 2jbj h PRO 550 Ca -0.57 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.41 2jbj h PRO 550 Cb 1.33 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2jbj h PRO 550 CO 0.45 0.62 0.00 1.28 -0.21 0.00 0.00 178.00 180.14 2jbj n LEU 551 N -4.27 2.42 -4.55 2.35 4.77 -1.26 -4.58 117.00 111.88 2jbj n LEU 551 Ca 0.02 -1.22 -0.59 0.00 -0.03 0.00 0.00 56.01 54.20 2jbj n LEU 551 Cb 0.25 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 40.90 2jbj n LEU 551 CO 0.39 0.48 1.50 0.00 -1.33 0.00 0.00 177.39 178.44 2jbj n TYR 552 N 0.50 1.68 -1.67 -1.77 9.36 -1.09 -2.44 117.16 121.74 2jbj n TYR 552 Ca 0.13 0.65 -0.10 0.00 3.32 0.00 0.00 57.90 61.89 2jbj n TYR 552 Cb 0.44 -2.39 -0.03 0.00 -0.63 0.00 0.00 39.34 36.73 2jbj n TYR 552 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2jbj n HIS 553 N 6.67 -0.20 -4.13 2.98 8.25 -1.26 -4.49 115.22 123.03 2jbj n HIS 553 Ca 0.38 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.58 2jbj n HIS 553 Cb 0.08 -2.19 -0.06 0.00 1.12 0.00 0.00 29.99 28.94 2jbj n HIS 553 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jbj s SER 554 N -2.74 5.26 0.62 0.41 0.15 -1.02 -1.55 113.70 114.83 2jbj s SER 554 Ca 0.00 -0.25 0.31 0.00 0.70 0.00 0.00 55.95 56.71 2jbj s SER 554 Cb 0.00 -1.29 1.74 0.00 -1.71 0.00 0.00 66.02 64.76 2jbj s SER 554 CO 0.00 0.05 2.07 1.62 1.20 0.00 0.00 173.24 178.19 2jbj h VAL 555 N 2.06 0.29 -0.00 4.45 3.04 -1.87 -2.59 116.25 121.63 2jbj h VAL 555 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2jbj h VAL 555 Cb 1.21 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 2jbj h VAL 555 CO 0.61 0.00 -0.03 -1.22 -1.01 0.00 0.00 177.57 175.93 2jbj n TYR 556 N -3.48 0.00 -2.61 3.17 4.01 -1.26 -4.60 117.16 112.38 2jbj n TYR 556 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 2jbj n TYR 556 Cb 0.34 -0.40 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 2jbj n TYR 556 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2jbj s GLU 557 N -2.82 3.30 0.26 -0.72 2.12 -0.98 -4.69 118.70 115.17 2jbj s GLU 557 Ca 0.20 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.94 2jbj s GLU 557 Cb 0.19 -4.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.03 2jbj s GLU 557 CO 0.51 -2.10 0.11 0.95 -0.54 0.00 0.00 175.26 174.19 2jbj s THR 558 N 5.18 0.46 0.32 -1.70 -4.23 -1.26 -2.67 115.64 111.74 2jbj s THR 558 Ca 0.36 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 2jbj s THR 558 Cb -0.07 -2.60 0.31 0.00 1.34 0.00 0.00 72.50 71.48 2jbj s THR 558 CO 0.07 0.00 1.81 0.22 -0.54 0.00 0.00 174.62 176.18 2jbj h TYR 559 N 2.39 0.97 -0.17 3.99 3.20 -1.86 -2.54 116.97 122.95 2jbj h TYR 559 Ca -0.37 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.39 2jbj h TYR 559 Cb 1.25 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 2jbj h TYR 559 CO 0.52 0.27 -0.49 0.93 -1.64 0.00 0.00 178.16 177.75 2jbj h GLU 560 N 0.74 0.44 -0.90 1.82 3.07 -1.95 -0.06 114.58 117.73 2jbj h GLU 560 Ca 0.54 -0.25 0.16 0.00 -0.50 0.00 0.00 59.36 59.31 2jbj h GLU 560 Cb 0.86 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.72 2jbj h GLU 560 CO -0.31 0.83 0.58 1.25 -1.40 0.00 0.00 179.01 179.97 2jbj h LEU 561 N 0.35 0.60 0.01 1.33 5.85 -1.73 0.13 115.31 121.85 2jbj h LEU 561 Ca 0.02 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 2jbj h LEU 561 Cb 0.99 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 2jbj h LEU 561 CO 0.09 0.28 -0.63 0.58 -0.34 0.00 0.00 178.44 178.42 2jbj h VAL 562 N 0.62 1.37 -0.96 1.05 2.07 -1.32 -2.68 116.25 116.40 2jbj h VAL 562 Ca 0.46 -2.28 0.01 0.00 0.82 0.00 0.00 66.70 65.72 2jbj h VAL 562 Cb 0.85 2.84 -0.05 0.00 -1.52 0.00 0.00 31.29 33.41 2jbj h VAL 562 CO -0.21 0.48 0.64 -0.08 0.02 0.00 0.00 177.57 178.41 2jbj h GLU 563 N -0.97 1.26 0.00 1.57 4.81 -0.97 -1.73 114.58 118.55 2jbj h GLU 563 Ca -0.17 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2jbj h GLU 563 Cb 1.17 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 2jbj h GLU 563 CO -0.09 0.83 -0.14 0.87 -0.73 0.00 0.00 179.01 179.75 2jbj h LYS 564 N 1.30 0.00 0.00 1.92 1.57 -0.89 -3.31 116.57 117.16 2jbj h LYS 564 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2jbj h LYS 564 Cb -0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2jbj h LYS 564 CO -0.08 0.72 -1.00 1.19 -0.57 0.00 0.00 179.45 179.72 2jbj n PHE 565 N -4.63 0.00 -0.04 -1.35 3.72 -1.01 -4.70 117.46 109.44 2jbj n PHE 565 Ca -0.10 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.20 2jbj n PHE 565 Cb 0.38 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 2jbj n PHE 565 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2jbj n TYR 566 N -1.55 0.00 -2.99 1.38 4.02 -0.94 -4.93 117.16 112.15 2jbj n TYR 566 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.75 2jbj n TYR 566 Cb 0.29 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 2jbj n TYR 566 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2jbj n ASP 567 N -3.68 -0.94 -0.28 7.72 2.03 -0.70 -4.80 116.55 115.90 2jbj n ASP 567 Ca -0.18 -3.12 0.06 0.00 0.52 0.00 0.00 54.79 52.07 2jbj n ASP 567 Cb 0.52 0.49 0.28 0.00 -0.72 0.00 0.00 41.12 41.70 2jbj n ASP 567 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2jbj h PRO 568 N 3.57 0.90 0.00 -0.67 0.11 -1.71 0.74 132.00 134.94 2jbj h PRO 568 Ca -0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2jbj h PRO 568 Cb 0.98 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2jbj h PRO 568 CO 0.37 0.60 0.00 -1.33 -0.21 0.00 0.00 178.00 177.43 2jbj n MET 569 N -4.51 0.06 -2.38 1.05 2.81 -1.26 -4.91 117.12 107.98 2jbj n MET 569 Ca 0.14 0.09 -0.20 0.00 -1.81 0.00 0.00 57.70 55.92 2jbj n MET 569 Cb 0.26 -1.58 -0.01 0.00 -0.71 0.00 0.00 33.22 31.18 2jbj n MET 569 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2jbj n PHE 570 N -1.68 -0.95 0.08 2.03 3.72 0.25 -4.84 117.46 116.07 2jbj n PHE 570 Ca 0.06 0.01 0.03 0.00 -0.05 0.00 0.00 57.45 57.50 2jbj n PHE 570 Cb 0.33 -3.83 -0.04 0.00 -0.94 0.00 0.00 39.48 35.01 2jbj n PHE 570 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2jbj h LYS 571 N -0.01 0.00 0.19 -1.08 2.10 -1.91 -2.52 116.57 113.33 2jbj h LYS 571 Ca -0.47 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 57.87 2jbj h LYS 571 Cb 1.35 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.70 2jbj h LYS 571 CO 0.56 0.28 -1.41 1.88 -2.00 0.00 0.00 179.45 178.75 2jbj h TYR 572 N 0.00 0.73 -0.41 0.07 0.05 -1.91 -2.64 116.97 112.86 2jbj h TYR 572 Ca -0.09 -0.53 0.05 0.00 0.05 0.00 0.00 58.73 58.21 2jbj h TYR 572 Cb 1.42 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 39.09 2jbj h TYR 572 CO 0.00 1.44 0.14 0.45 -1.05 0.00 0.00 178.16 179.15 2jbj h HIS 573 N 0.11 0.25 -0.64 4.88 3.86 -1.91 -1.62 115.15 120.08 2jbj h HIS 573 Ca -0.21 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 58.95 2jbj h HIS 573 Cb 2.08 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 30.47 2jbj h HIS 573 CO 0.10 0.09 0.16 1.25 0.86 0.00 0.00 177.93 180.39 2jbj h LEU 574 N 0.30 0.98 0.28 2.43 5.85 -1.46 0.18 115.31 123.86 2jbj h LEU 574 Ca 0.19 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2jbj h LEU 574 Cb 0.18 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2jbj h LEU 574 CO -0.20 0.96 -0.14 0.74 -0.34 0.00 0.00 178.44 179.47 2jbj h THR 575 N 0.95 0.74 -0.73 1.05 2.02 -1.16 -0.77 112.91 115.02 2jbj h THR 575 Ca 0.20 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.36 2jbj h THR 575 Cb 0.36 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 2jbj h THR 575 CO 0.00 0.02 0.40 0.58 0.37 0.00 0.00 175.52 176.90 2jbj h VAL 576 N -0.43 0.93 -0.77 3.16 2.07 -1.15 0.20 116.25 120.27 2jbj h VAL 576 Ca -0.04 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.33 2jbj h VAL 576 Cb 0.33 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2jbj h VAL 576 CO 0.06 0.13 0.50 0.00 0.02 0.00 0.00 177.57 178.29 2jbj h ALA 577 N 1.39 1.77 -0.17 1.67 0.00 -0.21 0.18 119.26 123.90 2jbj h ALA 577 Ca 0.34 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.03 2jbj h ALA 577 Cb 0.26 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jbj h ALA 577 CO -0.22 0.08 -0.73 1.96 0.00 0.00 0.00 179.25 180.35 2jbj h GLN 578 N 0.71 0.75 0.03 0.00 4.20 0.80 0.10 115.11 121.70 2jbj h GLN 578 Ca 0.35 -0.58 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 2jbj h GLN 578 Cb 0.42 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2jbj h GLN 578 CO -0.13 1.19 -0.01 0.28 -0.67 0.00 0.00 178.83 179.49 2jbj h VAL 579 N 0.52 1.34 0.56 -0.54 2.07 -0.40 0.13 116.25 119.94 2jbj h VAL 579 Ca -0.04 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 2jbj h VAL 579 Cb 1.34 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2jbj h VAL 579 CO 0.15 0.30 -0.28 0.03 0.02 0.00 0.00 177.57 177.79 2jbj h ARG 580 N -0.55 -0.74 -0.29 1.57 3.08 -0.72 -1.81 114.38 114.92 2jbj h ARG 580 Ca -0.00 0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 2jbj h ARG 580 Cb 0.52 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2jbj h ARG 580 CO 0.01 -0.49 -0.15 0.78 -1.07 0.00 0.00 179.97 179.05 2jbj h GLY 581 N -0.76 0.55 0.82 0.04 0.00 -0.90 -2.29 103.07 100.52 2jbj h GLY 581 Ca -0.07 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 46.90 2jbj h GLY 581 CO 0.11 0.36 0.30 -1.33 0.00 0.00 0.00 176.54 175.98 2jbj h GLY 582 N 0.94 0.74 0.80 4.60 0.00 -0.61 0.89 103.07 110.44 2jbj h GLY 582 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2jbj h GLY 582 CO 0.03 0.17 -0.03 -0.33 0.00 0.00 0.00 176.54 176.38 2jbj h MET 583 N 0.58 -0.07 -0.93 4.80 2.07 -1.20 -1.41 114.93 118.78 2jbj h MET 583 Ca 0.22 0.00 0.04 0.00 -2.07 0.00 0.00 59.70 57.90 2jbj h MET 583 Cb 0.07 0.02 -0.06 0.00 -1.87 0.00 0.00 31.60 29.76 2jbj h MET 583 CO -0.12 0.14 0.60 0.28 1.07 0.00 0.00 176.91 178.88 2jbj h VAL 584 N -0.27 1.13 0.50 -2.22 2.07 -1.26 0.31 116.25 116.51 2jbj h VAL 584 Ca -0.01 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 2jbj h VAL 584 Cb 0.24 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2jbj h VAL 584 CO 0.01 0.21 -0.24 0.15 0.02 0.00 0.00 177.57 177.72 2jbj h PHE 585 N 1.14 -0.62 -0.27 1.57 3.57 -0.61 0.53 116.94 122.25 2jbj h PHE 585 Ca 0.38 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.92 2jbj h PHE 585 Cb 0.05 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 2jbj h PHE 585 CO -0.01 -0.34 -0.13 0.93 -2.23 0.00 0.00 178.31 176.52 2jbj h GLU 586 N -0.77 -0.09 -0.69 1.11 4.39 -1.01 -0.55 114.58 116.97 2jbj h GLU 586 Ca -0.07 0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.77 2jbj h GLU 586 Cb 0.56 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.14 2jbj h GLU 586 CO 0.11 -0.06 0.22 -0.07 -1.16 0.00 0.00 179.01 178.05 2jbj h LEU 587 N -0.10 0.16 -0.48 1.33 3.38 -0.91 0.23 115.31 118.91 2jbj h LEU 587 Ca 0.14 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2jbj h LEU 587 Cb 0.31 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2jbj h LEU 587 CO -0.33 0.06 -0.13 0.00 0.09 0.00 0.00 178.44 178.13 2jbj n ALA 588 N -2.55 2.83 0.00 1.53 0.00 0.17 -4.45 120.51 118.04 2jbj n ALA 588 Ca 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2jbj n ALA 588 Cb 0.38 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2jbj n ALA 588 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jbj n ASN 589 N -0.58 1.80 -4.77 0.00 5.15 -0.25 -1.03 115.26 115.58 2jbj n ASN 589 Ca 0.15 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.72 2jbj n ASN 589 Cb 0.31 0.28 -0.01 0.00 -0.53 0.00 0.00 39.78 39.83 2jbj n ASN 589 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2jbj s SER 590 N -1.18 6.37 0.09 1.20 0.15 0.72 -4.75 113.70 116.31 2jbj s SER 590 Ca 0.00 2.99 -0.15 0.00 0.70 0.00 0.00 55.95 59.49 2jbj s SER 590 Cb 0.00 -2.65 -0.10 0.00 -1.71 0.00 0.00 66.02 61.55 2jbj s SER 590 CO 0.00 -0.88 1.38 0.40 1.20 0.00 0.00 173.24 175.34 2jbj h ILE 591 N 3.17 1.31 -3.38 6.45 2.04 -1.96 -3.39 117.51 121.75 2jbj h ILE 591 Ca -0.49 -1.56 -0.60 0.00 1.00 0.00 0.00 64.86 63.21 2jbj h ILE 591 Cb 1.23 1.70 -0.12 0.00 -0.74 0.00 0.00 36.82 38.90 2jbj h ILE 591 CO 0.71 0.49 -0.37 -0.69 0.00 0.00 0.00 178.15 178.29 2jbj s VAL 592 N -4.20 5.32 0.07 1.67 1.01 -1.26 -5.00 120.40 118.00 2jbj s VAL 592 Ca -0.12 0.43 -0.37 0.00 0.00 0.00 0.00 61.98 61.92 2jbj s VAL 592 Cb 0.08 -3.59 -0.17 0.00 0.00 0.00 0.00 36.38 32.70 2jbj s VAL 592 CO 0.84 0.37 1.35 0.18 0.00 0.00 0.00 175.10 177.84 2jbj n LEU 593 N 3.86 1.63 -2.79 3.92 4.77 -1.26 -4.77 117.00 122.35 2jbj n LEU 593 Ca -0.13 1.12 -0.23 0.00 -0.03 0.00 0.00 56.01 56.74 2jbj n LEU 593 Cb 0.52 -1.18 -0.07 0.00 -2.33 0.00 0.00 43.42 40.36 2jbj n LEU 593 CO 0.38 -1.04 2.37 -0.81 -1.33 0.00 0.00 177.39 176.96 2jbj n PRO 594 N 2.63 2.49 -4.39 3.23 -0.04 -1.26 -4.86 135.00 132.80 2jbj n PRO 594 Ca 0.19 -1.47 -0.31 0.00 -0.04 0.00 0.00 63.50 61.86 2jbj n PRO 594 Cb 0.18 -2.36 -0.10 0.00 -0.04 0.00 0.00 33.50 31.18 2jbj n PRO 594 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jbj s PHE 595 N 2.15 2.87 -0.32 0.54 0.08 -1.26 -4.40 117.98 117.64 2jbj s PHE 595 Ca 0.57 -0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.59 2jbj s PHE 595 Cb 0.19 -1.57 0.09 0.00 -0.57 0.00 0.00 43.02 41.17 2jbj s PHE 595 CO -0.03 0.39 0.01 0.34 -0.10 0.00 0.00 175.22 175.83 2jbj s ASP 596 N -1.65 4.64 0.58 1.36 -1.08 -1.13 -4.96 116.67 114.43 2jbj s ASP 596 Ca 0.19 -1.93 0.30 0.00 -0.52 0.00 0.00 52.55 50.58 2jbj s ASP 596 Cb -0.11 -1.57 1.79 0.00 -1.46 0.00 0.00 42.92 41.57 2jbj s ASP 596 CO 0.10 -0.33 2.23 0.00 0.52 0.00 0.00 175.17 177.69 2jbj h ARG 598 N 0.00 0.23 -0.43 0.00 3.08 -1.93 -2.03 114.38 113.31 2jbj h ARG 598 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2jbj h ARG 598 Cb 0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2jbj h ARG 598 CO 0.00 0.29 0.27 -0.44 -1.07 0.00 0.00 179.97 179.03 2jbj h ASP 599 N 0.23 0.50 -0.46 7.04 3.32 -1.61 -1.79 116.42 123.64 2jbj h ASP 599 Ca 0.05 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 2jbj h ASP 599 Cb 0.23 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2jbj h ASP 599 CO 0.01 0.37 -0.13 0.22 -1.72 0.00 0.00 179.24 177.99 2jbj h TYR 600 N 0.58 1.05 -0.50 4.55 5.03 -1.50 -2.89 116.97 123.29 2jbj h TYR 600 Ca 0.16 -0.22 0.07 0.00 2.58 0.00 0.00 58.73 61.32 2jbj h TYR 600 Cb -0.05 -0.26 -0.06 0.00 1.55 0.00 0.00 36.73 37.91 2jbj h TYR 600 CO 0.00 1.00 0.16 0.00 -1.32 0.00 0.00 178.16 178.00 2jbj h ALA 601 N 1.01 0.60 -0.37 1.82 0.00 -1.07 -0.44 119.26 120.81 2jbj h ALA 601 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2jbj h ALA 601 Cb 0.67 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2jbj h ALA 601 CO 0.05 -0.24 0.20 0.28 0.00 0.00 0.00 179.25 179.53 2jbj h VAL 602 N 0.32 1.14 0.00 0.00 2.07 -1.34 -2.79 116.25 115.65 2jbj h VAL 602 Ca 0.24 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.24 2jbj h VAL 602 Cb 0.28 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2jbj h VAL 602 CO -0.27 0.15 -0.68 -0.37 0.02 0.00 0.00 177.57 176.42 2jbj h VAL 603 N 0.47 1.45 -0.80 2.57 -1.51 -1.22 -2.62 116.25 114.58 2jbj h VAL 603 Ca 0.13 -2.36 0.02 0.00 -1.23 0.00 0.00 66.70 63.26 2jbj h VAL 603 Cb 0.06 2.29 -0.04 0.00 -2.13 0.00 0.00 31.29 31.47 2jbj h VAL 603 CO -0.02 0.67 0.52 -0.07 -1.23 0.00 0.00 177.57 177.44 2jbj h LEU 604 N 0.00 0.88 -0.37 4.19 3.38 -0.98 0.47 115.31 122.88 2jbj h LEU 604 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2jbj h LEU 604 Cb 1.23 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2jbj h LEU 604 CO 0.09 0.62 0.19 -0.09 0.09 0.00 0.00 178.44 179.33 2jbj h ARG 605 N 1.03 0.52 -0.66 1.13 9.65 -1.25 0.27 114.38 125.07 2jbj h ARG 605 Ca 0.31 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 59.14 2jbj h ARG 605 Cb -0.05 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.40 2jbj h ARG 605 CO -0.09 0.45 0.41 0.87 2.80 0.00 0.00 179.97 184.41 2jbj h LYS 606 N 0.46 0.80 -0.21 0.20 1.79 -1.01 -0.71 116.57 117.89 2jbj h LYS 606 Ca 0.13 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.42 2jbj h LYS 606 Cb 0.09 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 2jbj h LYS 606 CO -0.02 0.53 -0.43 1.88 -1.08 0.00 0.00 179.45 180.33 2jbj h TYR 607 N 0.82 0.59 -0.53 -1.35 0.05 -0.66 -1.00 116.97 114.90 2jbj h TYR 607 Ca 0.26 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 2jbj h TYR 607 Cb -0.01 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 2jbj h TYR 607 CO -0.04 0.84 0.21 0.00 -1.05 0.00 0.00 178.16 178.12 2jbj h ALA 608 N 1.13 0.69 -0.87 3.88 0.00 -0.12 -0.73 119.26 123.24 2jbj h ALA 608 Ca 0.03 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.90 2jbj h ALA 608 Cb 0.92 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 2jbj h ALA 608 CO 0.08 0.30 0.49 -0.44 0.00 0.00 0.00 179.25 179.68 2jbj h ASP 609 N 0.71 0.68 -0.10 0.00 3.32 -0.85 -0.84 116.42 119.35 2jbj h ASP 609 Ca 0.18 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 2jbj h ASP 609 Cb 0.21 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2jbj h ASP 609 CO -0.01 0.35 -0.04 0.50 -1.72 0.00 0.00 179.24 178.31 2jbj h LYS 610 N 0.77 0.20 -0.08 3.56 1.63 -0.84 -0.50 116.57 121.32 2jbj h LYS 610 Ca 0.44 -0.09 -0.16 0.00 -0.85 0.00 0.00 60.65 59.99 2jbj h LYS 610 Cb 0.49 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2jbj h LYS 610 CO -0.29 0.55 -0.65 0.97 -3.45 0.00 0.00 179.45 176.59 2jbj h ILE 611 N -0.16 1.39 -0.16 2.00 6.09 -0.96 -2.49 117.51 123.22 2jbj h ILE 611 Ca 0.02 -2.05 0.04 0.00 -1.37 0.00 0.00 64.86 61.50 2jbj h ILE 611 Cb 0.49 2.04 -0.04 0.00 0.47 0.00 0.00 36.82 39.79 2jbj h ILE 611 CO 0.01 0.61 -0.07 0.22 -3.07 0.00 0.00 178.15 175.85 2jbj h TYR 612 N 0.21 -0.18 -0.33 2.19 3.20 -1.08 -2.00 116.97 118.99 2jbj h TYR 612 Ca -0.01 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.95 2jbj h TYR 612 Cb 1.18 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 2jbj h TYR 612 CO 0.03 -0.12 0.23 0.77 -1.64 0.00 0.00 178.16 177.43 2jbj h SER 613 N -0.06 0.07 -0.09 -2.11 0.02 -0.74 -0.74 113.55 109.90 2jbj h SER 613 Ca 0.09 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.80 2jbj h SER 613 Cb 0.19 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.73 2jbj h SER 613 CO -0.20 0.04 -0.88 0.40 -1.14 0.00 0.00 176.83 175.06 2jbj h ILE 614 N 0.08 1.28 -0.61 3.27 2.04 -1.11 -3.15 117.51 119.31 2jbj h ILE 614 Ca 0.15 -2.08 -0.09 0.00 1.00 0.00 0.00 64.86 63.85 2jbj h ILE 614 Cb 0.51 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 2jbj h ILE 614 CO -0.01 0.65 0.05 -1.28 0.00 0.00 0.00 178.15 177.56 2jbj h SER 615 N 0.49 1.00 0.24 1.72 0.87 -0.52 -2.98 113.55 114.37 2jbj h SER 615 Ca -0.08 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2jbj h SER 615 Cb 1.52 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2jbj h SER 615 CO 0.18 1.03 0.00 0.23 -0.53 0.00 0.00 176.83 177.74 2jbj n MET 616 N -4.20 0.10 0.00 2.24 2.81 -0.39 -1.03 117.12 116.65 2jbj n MET 616 Ca 0.04 0.23 0.07 0.00 -1.81 0.00 0.00 57.70 56.22 2jbj n MET 616 Cb 0.32 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.70 2jbj n MET 616 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2jbj n LYS 617 N -1.35 0.32 -3.15 0.03 4.76 -1.13 -3.76 118.16 113.89 2jbj n LYS 617 Ca 0.04 0.08 -0.21 0.00 -2.87 0.00 0.00 58.31 55.35 2jbj n LYS 617 Cb 0.09 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.74 2jbj n LYS 617 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2jbj n HIS 618 N -1.14 1.10 -0.20 2.13 8.25 -0.20 -4.97 115.22 120.19 2jbj n HIS 618 Ca 0.08 -3.84 -0.00 0.00 -0.26 0.00 0.00 57.72 53.70 2jbj n HIS 618 Cb 0.08 -0.43 0.23 0.00 1.12 0.00 0.00 29.99 30.98 2jbj n HIS 618 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2jbj h PRO 619 N 3.17 0.96 -0.58 -0.41 0.13 -1.78 -2.03 132.00 131.46 2jbj h PRO 619 Ca 0.11 -0.09 -0.05 0.00 -0.87 0.00 0.00 66.00 65.10 2jbj h PRO 619 Cb 0.84 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 2jbj h PRO 619 CO 0.58 0.69 0.17 0.37 -0.23 0.00 0.00 178.00 179.58 2jbj h GLN 620 N 0.98 0.90 -0.16 0.86 5.75 -1.94 -1.35 115.11 120.15 2jbj h GLN 620 Ca 0.25 -0.20 -0.13 0.00 -0.15 0.00 0.00 58.65 58.42 2jbj h GLN 620 Cb -0.01 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 2jbj h GLN 620 CO -0.04 0.82 -0.47 0.93 -2.65 0.00 0.00 178.83 177.41 2jbj h GLU 621 N 0.82 0.40 -0.16 1.69 3.07 -1.92 -0.86 114.58 117.62 2jbj h GLU 621 Ca 0.19 -0.22 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 2jbj h GLU 621 Cb 0.30 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2jbj h GLU 621 CO -0.00 0.79 -0.12 0.52 -1.40 0.00 0.00 179.01 178.80 2jbj h MET 622 N 0.32 0.25 -0.02 2.33 2.86 -0.90 -1.26 114.93 118.51 2jbj h MET 622 Ca 0.02 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 2jbj h MET 622 Cb 0.95 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.58 2jbj h MET 622 CO 0.08 0.38 -0.22 0.87 1.06 0.00 0.00 176.91 179.08 2jbj h LYS 623 N 0.23 0.18 -0.74 1.72 1.57 -0.81 -1.04 116.57 117.68 2jbj h LYS 623 Ca 0.05 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2jbj h LYS 623 Cb 0.36 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 2jbj h LYS 623 CO 0.02 0.87 0.49 1.15 -0.57 0.00 0.00 179.45 181.41 2jbj h THR 624 N -0.45 1.12 -0.02 -0.16 2.02 -1.00 -2.82 112.91 111.59 2jbj h THR 624 Ca -0.02 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2jbj h THR 624 Cb 0.94 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2jbj h THR 624 CO 0.04 0.17 0.00 -1.22 0.37 0.00 0.00 175.52 174.88 2jbj n TYR 625 N -4.45 0.00 -3.38 3.16 4.01 -0.49 -4.99 117.16 111.02 2jbj n TYR 625 Ca 0.09 -0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.67 2jbj n TYR 625 Cb 0.11 -0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.23 2jbj n TYR 625 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2jbj n SER 626 N 1.07 -2.12 -4.54 7.72 7.64 -0.52 -4.92 113.62 117.94 2jbj n SER 626 Ca 0.11 -0.60 -0.43 0.00 1.01 0.00 0.00 58.87 58.96 2jbj n SER 626 Cb 0.48 -4.98 -0.05 0.00 -1.01 0.00 0.00 64.21 58.65 2jbj n SER 626 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jbj s VAL 627 N -3.35 4.51 -0.09 0.44 1.01 -0.51 -5.01 120.40 117.40 2jbj s VAL 627 Ca 0.01 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.51 2jbj s VAL 627 Cb -0.00 -4.43 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2jbj s VAL 627 CO 0.71 -0.87 -0.11 -0.55 0.00 0.00 0.00 175.10 174.27 2jbj s SER 628 N 2.38 4.26 0.00 3.32 0.15 -1.26 -4.90 113.70 117.64 2jbj s SER 628 Ca 0.33 -0.18 0.20 0.00 0.70 0.00 0.00 55.95 57.00 2jbj s SER 628 Cb -0.11 -1.26 0.54 0.00 -1.71 0.00 0.00 66.02 63.48 2jbj s SER 628 CO 0.23 0.28 1.45 0.49 1.20 0.00 0.00 173.24 176.89 2jbj n PHE 629 N 2.78 0.67 -0.35 3.44 3.72 -1.26 -4.54 117.46 121.92 2jbj n PHE 629 Ca -0.18 -0.34 0.10 0.00 -0.05 0.00 0.00 57.45 56.99 2jbj n PHE 629 Cb 0.53 0.00 0.29 0.00 -0.94 0.00 0.00 39.48 39.36 2jbj n PHE 629 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2jbj h ASP 630 N 3.72 0.84 -0.52 4.37 3.32 -2.00 -1.63 116.42 124.52 2jbj h ASP 630 Ca 0.00 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2jbj h ASP 630 Cb 0.84 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2jbj h ASP 630 CO 0.00 0.40 -0.12 0.77 -1.72 0.00 0.00 179.24 178.56 2jbj h SER 631 N 0.87 1.02 -0.28 6.45 4.64 -1.96 -1.53 113.55 122.77 2jbj h SER 631 Ca 0.52 -0.34 -0.05 0.00 -0.47 0.00 0.00 61.79 61.45 2jbj h SER 631 Cb 0.67 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2jbj h SER 631 CO -0.29 1.14 -0.02 0.25 -0.87 0.00 0.00 176.83 177.04 2jbj h LEU 632 N 0.90 0.50 -1.24 5.97 5.85 -1.68 0.10 115.31 125.71 2jbj h LEU 632 Ca 0.14 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 2jbj h LEU 632 Cb 0.69 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2jbj h LEU 632 CO 0.05 0.70 0.10 -0.26 -0.34 0.00 0.00 178.44 178.70 2jbj h PHE 633 N 0.28 0.64 -0.12 1.25 0.04 -1.25 -0.94 116.94 116.84 2jbj h PHE 633 Ca 0.08 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 2jbj h PHE 633 Cb 0.46 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 2jbj h PHE 633 CO 0.04 0.55 -0.02 1.03 -0.60 0.00 0.00 178.31 179.31 2jbj h SER 634 N 0.61 0.22 -0.64 2.17 0.87 -0.94 -0.20 113.55 115.64 2jbj h SER 634 Ca 0.14 -0.34 0.13 0.00 -1.23 0.00 0.00 61.79 60.48 2jbj h SER 634 Cb 0.23 -0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 62.04 2jbj h SER 634 CO -0.00 0.51 0.13 0.00 -0.53 0.00 0.00 176.83 176.93 2jbj h ALA 635 N 0.72 0.76 -0.40 6.23 0.00 -0.54 -0.25 119.26 125.78 2jbj h ALA 635 Ca 0.03 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2jbj h ALA 635 Cb 0.41 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2jbj h ALA 635 CO 0.01 -0.32 0.08 0.28 0.00 0.00 0.00 179.25 179.30 2jbj h VAL 636 N 0.25 1.23 -0.83 0.00 2.07 -0.91 0.17 116.25 118.24 2jbj h VAL 636 Ca 0.34 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 67.08 2jbj h VAL 636 Cb 0.53 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 2jbj h VAL 636 CO -0.44 0.28 0.54 0.50 0.02 0.00 0.00 177.57 178.47 2jbj h LYS 637 N 0.51 1.01 -0.36 1.57 3.64 -0.82 0.17 116.57 122.29 2jbj h LYS 637 Ca 0.12 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 2jbj h LYS 637 Cb 0.33 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2jbj h LYS 637 CO 0.00 0.67 -0.30 -0.91 -2.27 0.00 0.00 179.45 176.65 2jbj h ASN 638 N 1.04 0.88 -0.48 4.20 2.35 -0.69 -2.18 115.58 120.71 2jbj h ASN 638 Ca 0.33 -0.45 0.04 0.00 -0.55 0.00 0.00 56.30 55.67 2jbj h ASN 638 Cb 0.01 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 2jbj h ASN 638 CO -0.11 1.15 0.24 0.15 -1.65 0.00 0.00 177.43 177.20 2jbj h PHE 639 N 0.63 0.44 -0.74 1.19 3.57 -0.19 0.32 116.94 122.17 2jbj h PHE 639 Ca 0.07 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.71 2jbj h PHE 639 Cb 0.87 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.40 2jbj h PHE 639 CO 0.06 0.22 0.31 1.15 -2.23 0.00 0.00 178.31 177.83 2jbj h THR 640 N 0.48 0.71 -0.00 4.41 2.02 -0.43 0.23 112.91 120.32 2jbj h THR 640 Ca 0.21 -0.17 -0.17 0.00 0.77 0.00 0.00 66.41 67.05 2jbj h THR 640 Cb 0.12 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2jbj h THR 640 CO -0.15 0.09 -0.67 -0.33 0.37 0.00 0.00 175.52 174.83 2jbj h GLU 641 N 0.48 0.46 -0.46 6.66 5.08 -0.97 -1.65 114.58 124.19 2jbj h GLU 641 Ca 0.40 -0.49 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 2jbj h GLU 641 Cb 0.55 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2jbj h GLU 641 CO -0.36 1.14 -0.26 0.82 -1.00 0.00 0.00 179.01 179.34 2jbj h ILE 642 N -0.01 1.27 -0.59 3.13 2.04 -0.71 -1.92 117.51 120.71 2jbj h ILE 642 Ca -0.08 -1.43 0.03 0.00 1.00 0.00 0.00 64.86 64.37 2jbj h ILE 642 Cb 1.37 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 2jbj h ILE 642 CO 0.13 0.49 0.36 0.00 0.00 0.00 0.00 178.15 179.13 2jbj h ALA 643 N 0.85 0.76 -0.27 1.87 0.00 -0.53 0.04 119.26 121.98 2jbj h ALA 643 Ca 0.10 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2jbj h ALA 643 Cb 0.85 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2jbj h ALA 643 CO 0.08 0.09 0.06 1.03 0.00 0.00 0.00 179.25 180.51 2jbj h SER 644 N 0.71 0.04 -0.72 0.00 0.87 -1.08 0.10 113.55 113.47 2jbj h SER 644 Ca 0.24 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2jbj h SER 644 Cb 0.02 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2jbj h SER 644 CO -0.10 0.06 0.38 0.11 -0.53 0.00 0.00 176.83 176.74 2jbj h LYS 645 N 0.17 1.04 -0.28 2.24 6.56 -1.19 -2.60 116.57 122.52 2jbj h LYS 645 Ca 0.13 -0.13 -0.01 0.00 -1.06 0.00 0.00 60.65 59.57 2jbj h LYS 645 Cb 0.12 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.57 2jbj h LYS 645 CO -0.16 0.78 0.12 0.35 -2.06 0.00 0.00 179.45 178.48 2jbj h PHE 646 N 1.04 0.41 -0.60 -1.35 3.57 -0.43 -1.68 116.94 117.90 2jbj h PHE 646 Ca 0.26 -0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.84 2jbj h PHE 646 Cb 0.07 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 38.60 2jbj h PHE 646 CO 0.01 0.40 0.17 0.77 -2.23 0.00 0.00 178.31 177.43 2jbj h SER 647 N 0.30 0.10 -0.50 0.41 0.02 -0.52 -0.06 113.55 113.31 2jbj h SER 647 Ca 0.09 0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.24 2jbj h SER 647 Cb 0.16 0.11 -0.08 0.00 0.14 0.00 0.00 62.40 62.73 2jbj h SER 647 CO -0.01 0.06 0.00 -0.33 -1.14 0.00 0.00 176.83 175.41 2jbj h GLU 648 N 0.32 0.12 -0.04 3.45 5.08 -1.31 -0.02 114.58 122.17 2jbj h GLU 648 Ca 0.31 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 2jbj h GLU 648 Cb 0.43 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2jbj h GLU 648 CO -0.36 0.08 -0.26 0.00 -1.00 0.00 0.00 179.01 177.47 2jbj h ARG 649 N 0.12 0.08 -0.11 2.33 3.08 -0.74 -1.00 114.38 118.14 2jbj h ARG 649 Ca 0.25 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 60.14 2jbj h ARG 649 Cb 0.38 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2jbj h ARG 649 CO -0.41 0.33 -0.54 1.25 -1.07 0.00 0.00 179.97 179.54 2jbj h LEU 650 N 0.07 0.35 -0.58 3.04 5.85 0.29 -2.78 115.31 121.55 2jbj h LEU 650 Ca 0.01 -0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.41 2jbj h LEU 650 Cb 0.50 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2jbj h LEU 650 CO 0.04 0.82 -0.39 1.56 -0.34 0.00 0.00 178.44 180.13 2jbj h GLN 651 N 0.25 0.69 -1.11 1.25 7.50 -0.37 -3.39 115.11 119.94 2jbj h GLN 651 Ca 0.00 -0.35 -0.69 0.00 0.50 0.00 0.00 58.65 58.11 2jbj h GLN 651 Cb 1.03 0.01 -0.29 0.00 0.05 0.00 0.00 27.48 28.28 2jbj h GLN 651 CO 0.09 0.97 0.90 -0.25 -1.50 0.00 0.00 178.83 179.03 2jbj n ASP 652 N -4.04 7.70 -4.13 1.46 10.43 -0.44 -5.01 116.55 122.52 2jbj n ASP 652 Ca -0.02 -3.80 -0.09 0.00 2.57 0.00 0.00 54.79 53.46 2jbj n ASP 652 Cb 0.52 -0.99 -0.10 0.00 1.84 0.00 0.00 41.12 42.39 2jbj n ASP 652 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 2jbj s PHE 653 N -3.86 0.70 -0.22 1.24 -0.12 -1.24 -4.96 117.98 109.52 2jbj s PHE 653 Ca 0.64 -0.97 -0.14 0.00 -0.05 0.00 0.00 56.93 56.40 2jbj s PHE 653 Cb 0.50 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 2jbj s PHE 653 CO -0.05 -0.26 0.31 0.16 -0.05 0.00 0.00 175.22 175.33 2jbj s ASP 654 N -2.93 6.32 0.38 1.98 1.47 -1.26 -4.86 116.67 117.76 2jbj s ASP 654 Ca 0.09 0.37 0.27 0.00 1.18 0.00 0.00 52.55 54.46 2jbj s ASP 654 Cb 0.06 -2.19 1.23 0.00 -0.34 0.00 0.00 42.92 41.69 2jbj s ASP 654 CO -0.07 -0.03 1.83 0.11 0.68 0.00 0.00 175.17 177.69 2jbj h LYS 655 N 7.44 0.00 -0.74 2.11 6.56 -1.99 0.11 116.57 130.05 2jbj h LYS 655 Ca -0.37 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.19 2jbj h LYS 655 Cb 1.16 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.79 2jbj h LYS 655 CO 0.69 0.00 0.34 1.03 -2.06 0.00 0.00 179.45 179.45 2jbj h SER 656 N 0.00 0.99 -1.86 0.86 0.87 -2.04 -3.39 113.55 108.97 2jbj h SER 656 Ca 0.00 -0.14 -0.50 0.00 -1.23 0.00 0.00 61.79 59.91 2jbj h SER 656 Cb 0.30 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2jbj h SER 656 CO 0.00 0.86 1.51 0.21 -0.53 0.00 0.00 176.83 178.88 2jbj s ASN 657 N -6.20 4.93 0.20 6.23 2.47 0.02 -4.89 114.94 117.71 2jbj s ASN 657 Ca -0.13 1.04 -0.10 0.00 0.42 0.00 0.00 52.86 54.09 2jbj s ASN 657 Cb 0.15 -2.51 0.14 0.00 -1.45 0.00 0.00 41.25 37.58 2jbj s ASN 657 CO 0.82 -2.51 1.82 -0.65 -3.72 0.00 0.00 177.10 172.85 2jbj h PRO 658 N 17.15 1.05 -0.39 0.43 0.11 -1.85 -1.97 132.00 146.52 2jbj h PRO 658 Ca -0.28 -0.13 -0.11 0.00 0.11 0.00 0.00 66.00 65.59 2jbj h PRO 658 Cb 1.23 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2jbj h PRO 658 CO 1.13 0.79 -0.21 0.82 -0.21 0.00 0.00 178.00 180.32 2jbj h ILE 659 N 1.03 1.27 -0.06 4.15 1.08 -1.95 0.30 117.51 123.33 2jbj h ILE 659 Ca 0.26 -1.31 -0.12 0.00 -0.39 0.00 0.00 64.86 63.30 2jbj h ILE 659 Cb 0.05 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 2jbj h ILE 659 CO -0.04 0.44 -0.49 0.58 -0.69 0.00 0.00 178.15 177.95 2jbj h VAL 660 N 0.67 1.35 0.30 1.67 2.07 -1.92 -0.95 116.25 119.45 2jbj h VAL 660 Ca 0.10 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 2jbj h VAL 660 Cb 0.72 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2jbj h VAL 660 CO 0.05 0.50 -0.15 0.25 0.02 0.00 0.00 177.57 178.25 2jbj h LEU 661 N 0.12 -0.34 -0.66 2.57 5.85 -0.13 -2.40 115.31 120.31 2jbj h LEU 661 Ca 0.00 -0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.68 2jbj h LEU 661 Cb 0.92 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.95 2jbj h LEU 661 CO 0.07 -0.00 0.21 -0.09 -0.34 0.00 0.00 178.44 178.29 2jbj h ARG 662 N -0.72 0.34 -0.52 1.25 9.65 -0.51 -0.74 114.38 123.14 2jbj h ARG 662 Ca -0.04 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2jbj h ARG 662 Cb 0.49 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.97 2jbj h ARG 662 CO 0.07 0.22 0.34 1.98 2.80 0.00 0.00 179.97 185.38 2jbj h MET 663 N 0.35 0.68 -0.43 0.20 4.05 -1.14 0.40 114.93 119.05 2jbj h MET 663 Ca 0.35 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.63 2jbj h MET 663 Cb 0.52 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 2jbj h MET 663 CO -0.39 0.46 -0.12 0.52 0.23 0.00 0.00 176.91 177.61 2jbj h MET 664 N 0.70 0.84 -0.35 0.39 2.86 -0.88 -0.91 114.93 117.57 2jbj h MET 664 Ca 0.19 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 2jbj h MET 664 Cb -0.07 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 2jbj h MET 664 CO -0.04 0.96 0.06 -0.91 1.06 0.00 0.00 176.91 178.04 2jbj h ASN 665 N 0.66 0.48 0.16 1.22 2.35 -0.75 -0.50 115.58 119.20 2jbj h ASN 665 Ca 0.11 -0.07 -0.19 0.00 -0.55 0.00 0.00 56.30 55.60 2jbj h ASN 665 Cb 0.66 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 2jbj h ASN 665 CO 0.05 0.51 -0.72 0.44 -1.65 0.00 0.00 177.43 176.05 2jbj h ASP 666 N 0.51 0.58 -0.46 5.81 3.32 0.11 0.26 116.42 126.55 2jbj h ASP 666 Ca 0.12 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 2jbj h ASP 666 Cb 0.24 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2jbj h ASP 666 CO 0.00 1.12 0.18 1.56 -1.72 0.00 0.00 179.24 180.39 2jbj h GLN 667 N 0.34 0.69 -0.47 3.56 4.20 -0.92 0.16 115.11 122.67 2jbj h GLN 667 Ca -0.03 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 2jbj h GLN 667 Cb 1.31 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 2jbj h GLN 667 CO 0.13 0.62 0.27 -0.07 -0.67 0.00 0.00 178.83 179.11 2jbj h LEU 668 N 0.60 0.57 -0.19 1.46 -0.00 -0.83 -2.34 115.31 114.58 2jbj h LEU 668 Ca 0.15 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.95 2jbj h LEU 668 Cb 0.19 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 2jbj h LEU 668 CO -0.01 0.47 0.05 -0.03 -0.00 0.00 0.00 178.44 178.92 2jbj h MET 669 N 0.62 0.30 0.00 1.13 4.05 -0.27 -3.07 114.93 117.68 2jbj h MET 669 Ca 0.17 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 2jbj h MET 669 Cb 0.01 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 2jbj h MET 669 CO -0.03 0.42 0.00 1.19 0.23 0.00 0.00 176.91 178.72 2jbj n PHE 670 N -4.79 0.00 -0.06 1.39 3.72 0.55 -3.80 117.46 114.47 2jbj n PHE 670 Ca -0.04 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.22 2jbj n PHE 670 Cb 0.16 -0.07 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 2jbj n PHE 670 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2jbj h LEU 671 N 0.00 0.51 -1.18 4.37 5.85 -1.32 -1.03 115.31 122.52 2jbj h LEU 671 Ca 0.00 -0.52 0.08 0.00 0.84 0.00 0.00 57.88 58.28 2jbj h LEU 671 Cb 0.07 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2jbj h LEU 671 CO 0.00 0.93 0.58 -0.08 -0.34 0.00 0.00 178.44 179.53 2jbj h GLU 672 N 0.11 0.93 -0.04 1.25 4.57 -1.75 -2.06 114.58 117.58 2jbj h GLU 672 Ca 0.02 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 2jbj h GLU 672 Cb 0.82 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 2jbj h GLU 672 CO 0.06 0.61 -0.20 -0.09 -1.18 0.00 0.00 179.01 178.21 2jbj h ARG 673 N 0.96 0.06 0.00 1.92 9.65 -1.03 -2.40 114.38 123.54 2jbj h ARG 673 Ca 0.40 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.26 2jbj h ARG 673 Cb 0.29 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2jbj h ARG 673 CO -0.16 0.26 -0.01 0.00 2.80 0.00 0.00 179.97 182.87 2jbj h ALA 674 N 1.74 1.05 -0.01 2.80 0.00 -0.44 -1.66 119.26 122.74 2jbj h ALA 674 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jbj h ALA 674 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jbj h ALA 674 CO 0.03 0.01 -0.03 1.19 0.00 0.00 0.00 179.25 180.45 2jbj n PHE 675 N -3.16 0.00 -2.69 0.00 3.72 -0.90 -4.56 117.46 109.87 2jbj n PHE 675 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 2jbj n PHE 675 Cb 0.13 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 2jbj n PHE 675 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2jbj s ILE 676 N -2.11 4.78 -0.27 4.37 -1.09 -0.63 -1.04 121.20 125.22 2jbj s ILE 676 Ca 0.40 2.02 -0.12 0.00 -2.23 0.00 0.00 60.65 60.72 2jbj s ILE 676 Cb 0.21 -4.30 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 2jbj s ILE 676 CO 0.38 0.17 0.25 -0.62 -1.23 0.00 0.00 174.94 173.90 2jbj s ASP 677 N 0.92 6.12 0.61 3.58 -1.08 0.17 -4.97 116.67 122.02 2jbj s ASP 677 Ca 0.52 0.12 0.39 0.00 -0.52 0.00 0.00 52.55 53.06 2jbj s ASP 677 Cb -0.22 -2.15 1.92 0.00 -1.46 0.00 0.00 42.92 41.01 2jbj s ASP 677 CO 0.28 -0.08 2.18 1.55 0.52 0.00 0.00 175.17 179.63 2jbj h PRO 678 N 8.16 0.00 0.00 4.34 0.13 -1.97 -0.03 132.00 142.63 2jbj h PRO 678 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2jbj h PRO 678 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jbj h PRO 678 CO 0.60 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.65 2jbj n LEU 679 N -3.07 0.00 -0.70 1.56 4.77 -1.26 -5.03 117.00 113.26 2jbj n LEU 679 Ca -0.01 0.48 0.09 0.00 -0.03 0.00 0.00 56.01 56.54 2jbj n LEU 679 Cb 0.18 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 2jbj n LEU 679 CO 0.23 -0.03 -0.16 0.61 -1.33 0.00 0.00 177.39 176.71 2jbj n GLY 680 N 1.29 -1.80 3.87 -0.72 0.00 -0.03 -4.77 105.19 103.04 2jbj n GLY 680 Ca 0.07 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 2jbj n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jbj s LEU 681 N -4.99 3.40 -0.23 0.99 1.43 -0.20 -4.95 118.68 114.13 2jbj s LEU 681 Ca 0.00 1.38 -0.33 0.00 -1.03 0.00 0.00 54.13 54.14 2jbj s LEU 681 Cb 0.00 -4.38 -0.10 0.00 0.03 0.00 0.00 46.19 41.74 2jbj s LEU 681 CO 0.00 -0.75 2.07 -2.65 0.23 0.00 0.00 176.35 175.26 2jbj n PRO 682 N -2.35 1.66 -0.83 1.29 -0.02 -1.26 -1.03 135.00 132.46 2jbj n PRO 682 Ca 0.05 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2jbj n PRO 682 Cb 0.54 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2jbj n PRO 682 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2jbj n ASP 683 N 8.99 0.00 -3.32 2.55 8.00 -1.26 -4.89 116.55 126.62 2jbj n ASP 683 Ca 0.32 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.56 2jbj n ASP 683 Cb 0.30 -0.20 -0.08 0.00 -0.02 0.00 0.00 41.12 41.12 2jbj n ASP 683 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jbj n ARG 684 N -2.00 1.62 0.31 -1.24 1.74 -0.20 -4.95 116.66 111.94 2jbj n ARG 684 Ca 0.00 -3.95 0.19 0.00 -0.77 0.00 0.00 57.85 53.32 2jbj n ARG 684 Cb 0.00 -1.75 1.06 0.00 -1.02 0.00 0.00 32.46 30.75 2jbj n ARG 684 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2jbj h PRO 685 N 4.12 0.00 -0.02 5.56 0.13 -1.86 -1.48 132.00 138.45 2jbj h PRO 685 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2jbj h PRO 685 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2jbj h PRO 685 CO 0.65 0.00 -0.10 1.19 -0.23 0.00 0.00 178.00 179.51 2jbj n PHE 686 N -3.47 0.00 -3.65 1.56 3.72 -1.26 -4.47 117.46 109.89 2jbj n PHE 686 Ca -0.03 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.98 2jbj n PHE 686 Cb 0.09 -0.03 -0.11 0.00 -0.94 0.00 0.00 39.48 38.50 2jbj n PHE 686 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2jbj s TYR 687 N -2.15 3.34 -0.22 1.38 2.02 -0.57 -3.80 117.35 117.36 2jbj s TYR 687 Ca 0.31 -1.57 0.04 0.00 -0.37 0.00 0.00 57.07 55.48 2jbj s TYR 687 Cb 0.20 -2.81 -0.03 0.00 -0.40 0.00 0.00 41.96 38.92 2jbj s TYR 687 CO 0.39 -0.83 0.21 0.54 -1.57 0.00 0.00 175.55 174.30 2jbj n ARG 688 N 4.87 5.02 -2.43 -0.62 1.74 -0.29 -1.03 116.66 123.92 2jbj n ARG 688 Ca -0.10 -0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.48 2jbj n ARG 688 Cb 0.43 -0.72 -0.04 0.00 -1.02 0.00 0.00 32.46 31.11 2jbj n ARG 688 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jbj s HIS 689 N -1.22 3.49 -0.12 -1.55 2.46 -1.06 0.44 115.29 117.72 2jbj s HIS 689 Ca 0.02 1.49 0.17 0.00 0.47 0.00 0.00 55.06 57.21 2jbj s HIS 689 Cb 0.03 -3.37 -0.15 0.00 -0.13 0.00 0.00 32.58 28.96 2jbj s HIS 689 CO 0.14 -0.98 0.77 0.28 -2.47 0.00 0.00 174.74 172.48 2jbj n VAL 690 N 2.50 1.14 0.12 0.89 0.31 -0.20 -4.17 118.33 118.92 2jbj n VAL 690 Ca 0.04 -0.69 -0.23 0.00 -0.01 0.00 0.00 64.34 63.45 2jbj n VAL 690 Cb 0.45 -0.69 -0.15 0.00 -0.91 0.00 0.00 33.84 32.54 2jbj n VAL 690 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2jbj h ILE 691 N 0.00 1.25 -4.33 2.52 1.08 -1.93 -3.37 117.51 112.73 2jbj h ILE 691 Ca -0.17 -2.74 -0.63 0.00 -0.39 0.00 0.00 64.86 60.93 2jbj h ILE 691 Cb 1.59 2.96 -0.28 0.00 -3.07 0.00 0.00 36.82 38.02 2jbj h ILE 691 CO 0.04 0.83 -0.86 -0.31 -0.69 0.00 0.00 178.15 177.17 2jbj s TYR 692 N -2.61 1.99 0.16 1.37 2.02 -1.26 0.35 117.35 119.37 2jbj s TYR 692 Ca -0.09 -0.38 -0.13 0.00 -0.37 0.00 0.00 57.07 56.09 2jbj s TYR 692 Cb 0.05 -1.23 0.01 0.00 -0.40 0.00 0.00 41.96 40.40 2jbj s TYR 692 CO 0.92 0.05 0.39 0.00 -1.57 0.00 0.00 175.55 175.33 2jbj s ALA 693 N -0.68 -0.55 0.43 3.71 0.00 -0.53 -4.46 121.76 119.68 2jbj s ALA 693 Ca 0.09 -0.45 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 2jbj s ALA 693 Cb -0.09 0.79 -0.08 0.00 0.00 0.00 0.00 23.12 23.74 2jbj s ALA 693 CO 0.01 -0.69 1.32 -2.14 0.00 0.00 0.00 175.76 174.26 2jbj s PRO 694 N -3.89 3.84 0.25 0.00 0.02 -1.26 -0.36 135.00 133.60 2jbj s PRO 694 Ca 0.10 2.18 -0.30 0.00 0.02 0.00 0.00 61.00 63.00 2jbj s PRO 694 Cb 0.02 -2.68 -0.14 0.00 0.02 0.00 0.00 34.50 31.72 2jbj s PRO 694 CO -0.05 -0.61 1.28 0.45 -0.33 0.00 0.00 177.00 177.75 2jbj n SER 695 N -0.06 2.28 0.00 2.53 2.88 0.11 -4.73 113.62 116.63 2jbj n SER 695 Ca 0.05 1.16 0.10 0.00 -1.33 0.00 0.00 58.87 58.85 2jbj n SER 695 Cb 0.44 -1.38 0.47 0.00 -0.75 0.00 0.00 64.21 62.99 2jbj n SER 695 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jbj n SER 696 N 1.76 0.00 -0.22 -3.46 7.64 -1.26 -2.59 113.62 115.48 2jbj n SER 696 Ca 0.11 0.30 0.07 0.00 1.01 0.00 0.00 58.87 60.36 2jbj n SER 696 Cb 0.31 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 2jbj n SER 696 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2jbj n HIS 697 N -1.42 0.00 -3.06 1.43 8.25 -1.26 -4.89 115.22 114.27 2jbj n HIS 697 Ca 0.07 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.56 2jbj n HIS 697 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 2jbj n HIS 697 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2jbj s ASN 698 N -1.96 -0.78 0.43 0.41 2.47 -1.07 -4.81 114.94 109.64 2jbj s ASN 698 Ca 0.10 -0.09 0.27 0.00 0.42 0.00 0.00 52.86 53.56 2jbj s ASN 698 Cb 0.11 1.30 1.32 0.00 -1.45 0.00 0.00 41.25 42.53 2jbj s ASN 698 CO 0.44 -0.12 1.69 0.50 -3.72 0.00 0.00 177.10 175.89 2jbj h LYS 699 N 6.90 0.19 0.00 0.43 3.64 -1.89 0.27 116.57 126.11 2jbj h LYS 699 Ca -0.04 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 2jbj h LYS 699 Cb 1.19 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2jbj h LYS 699 CO -0.02 0.12 -0.32 1.88 -2.27 0.00 0.00 179.45 178.84 2jbj h TYR 700 N 0.19 0.00 -3.17 1.91 0.05 -1.89 -1.02 116.97 113.04 2jbj h TYR 700 Ca 0.72 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.91 2jbj h TYR 700 Cb 2.17 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 39.85 2jbj h TYR 700 CO -0.00 0.32 -0.14 0.00 -1.05 0.00 0.00 178.16 177.29 2jbj s ALA 701 N -3.73 3.60 0.15 3.88 0.00 0.94 -4.19 121.76 122.41 2jbj s ALA 701 Ca -0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 2jbj s ALA 701 Cb 0.11 -2.53 -0.07 0.00 0.00 0.00 0.00 23.12 20.63 2jbj s ALA 701 CO 0.67 0.30 1.17 0.20 0.00 0.00 0.00 175.76 178.09 2jbj s GLY 702 N -0.50 2.66 -0.01 0.00 0.00 -1.26 0.07 107.32 108.28 2jbj s GLY 702 Ca 0.26 0.88 0.06 0.00 0.00 0.00 0.00 44.72 45.91 2jbj s GLY 702 CO 0.14 1.84 -0.17 1.85 0.00 0.00 0.00 173.10 176.75 2jbj s GLU 703 N 0.05 2.29 0.05 2.90 2.56 0.51 -4.75 118.70 122.31 2jbj s GLU 703 Ca 0.53 -0.84 -0.06 0.00 0.00 0.00 0.00 54.97 54.61 2jbj s GLU 703 Cb -0.31 -2.26 -0.05 0.00 2.00 0.00 0.00 34.13 33.51 2jbj s GLU 703 CO 0.34 0.58 0.30 -1.54 -0.56 0.00 0.00 175.26 174.38 2jbj s SER 704 N -1.00 6.49 -1.41 -1.70 1.04 -1.26 -1.45 113.70 114.42 2jbj s SER 704 Ca 0.13 0.55 -0.05 0.00 0.48 0.00 0.00 55.95 57.06 2jbj s SER 704 Cb -0.10 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.94 2jbj s SER 704 CO 0.02 0.19 0.35 0.49 0.98 0.00 0.00 173.24 175.27 2jbj n PHE 705 N 0.76 -1.53 -0.30 5.02 3.72 0.15 -4.63 117.46 120.65 2jbj n PHE 705 Ca -0.08 0.62 0.15 0.00 -0.05 0.00 0.00 57.45 58.09 2jbj n PHE 705 Cb 0.52 -3.35 0.40 0.00 -0.94 0.00 0.00 39.48 36.11 2jbj n PHE 705 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2jbj h PRO 706 N -1.90 0.62 -0.31 -1.08 0.13 -1.74 0.14 132.00 127.86 2jbj h PRO 706 Ca -0.65 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.44 2jbj h PRO 706 Cb 1.38 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2jbj h PRO 706 CO 0.63 0.41 0.17 0.78 -0.23 0.00 0.00 178.00 179.76 2jbj h GLY 707 N 0.64 0.46 0.64 1.56 0.00 -1.88 -0.49 103.07 104.00 2jbj h GLY 707 Ca 0.52 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 2jbj h GLY 707 CO -0.27 0.20 -0.17 -2.22 0.00 0.00 0.00 176.54 174.07 2jbj h ILE 708 N 0.38 1.41 -0.40 2.60 2.04 -1.43 -2.03 117.51 120.08 2jbj h ILE 708 Ca 0.11 -1.48 0.08 0.00 1.00 0.00 0.00 64.86 64.57 2jbj h ILE 708 Cb 0.05 2.18 -0.09 0.00 -0.74 0.00 0.00 36.82 38.22 2jbj h ILE 708 CO -0.02 0.42 -0.36 0.22 0.00 0.00 0.00 178.15 178.41 2jbj h TYR 709 N -0.21 -1.00 0.00 1.37 3.20 -0.75 0.18 116.97 119.76 2jbj h TYR 709 Ca 0.00 0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 2jbj h TYR 709 Cb 0.76 0.50 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 2jbj h TYR 709 CO 0.11 -0.40 -0.43 -0.44 -1.64 0.00 0.00 178.16 175.36 2jbj h ASP 710 N -0.28 0.00 -0.01 -2.11 3.32 -1.15 -1.06 116.42 115.13 2jbj h ASP 710 Ca 0.16 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 2jbj h ASP 710 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2jbj h ASP 710 CO -0.55 0.43 -0.32 0.00 -1.72 0.00 0.00 179.24 177.08 2jbj h ALA 711 N 1.57 1.02 0.00 3.45 0.00 -0.52 -3.19 119.26 121.60 2jbj h ALA 711 Ca -0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2jbj h ALA 711 Cb 0.76 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2jbj h ALA 711 CO 0.06 0.59 -0.35 -0.07 0.00 0.00 0.00 179.25 179.48 2jbj h LEU 712 N 0.41 0.00 -9.55 0.00 3.38 -0.24 -3.44 115.31 105.87 2jbj h LEU 712 Ca 0.05 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.49 2jbj h LEU 712 Cb 0.76 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.55 2jbj h LEU 712 CO 0.06 0.35 0.99 0.12 0.09 0.00 0.00 178.44 180.05 2jbj s PHE 713 N -3.22 2.65 -1.60 1.13 5.36 -0.44 -2.42 117.98 119.45 2jbj s PHE 713 Ca 0.03 0.35 -0.16 0.00 -0.96 0.00 0.00 56.93 56.19 2jbj s PHE 713 Cb 0.08 -4.03 0.11 0.00 -0.34 0.00 0.00 43.02 38.84 2jbj s PHE 713 CO 0.70 -4.02 0.91 -3.47 -1.46 0.00 0.00 175.22 167.88 2jbj n ASP 714 N 4.81 -4.22 0.16 6.13 2.03 -1.26 -4.83 116.55 119.37 2jbj n ASP 714 Ca 0.16 -0.87 0.03 0.00 0.52 0.00 0.00 54.79 54.62 2jbj n ASP 714 Cb 0.38 -3.45 0.25 0.00 -0.72 0.00 0.00 41.12 37.59 2jbj n ASP 714 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2jbj h ILE 715 N -1.86 1.12 -0.25 5.18 2.10 -1.77 -2.59 117.51 119.44 2jbj h ILE 715 Ca -0.58 -1.81 0.07 0.00 1.08 0.00 0.00 64.86 63.62 2jbj h ILE 715 Cb 1.38 2.04 -0.01 0.00 -1.09 0.00 0.00 36.82 39.14 2jbj h ILE 715 CO 0.71 0.48 0.47 -0.33 -1.08 0.00 0.00 178.15 178.41 2jbj h GLU 716 N 0.00 0.00 -0.00 2.19 3.07 -1.88 -1.49 114.58 116.47 2jbj h GLU 716 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jbj h GLU 716 Cb 1.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 2jbj h GLU 716 CO 0.06 0.00 -0.81 0.43 -1.40 0.00 0.00 179.01 177.29 2jbj n SER 717 N -3.26 0.86 -4.77 1.42 7.64 -0.98 -4.93 113.62 109.61 2jbj n SER 717 Ca 0.04 -0.77 -0.36 0.00 1.01 0.00 0.00 58.87 58.79 2jbj n SER 717 Cb 0.59 0.73 0.01 0.00 -1.01 0.00 0.00 64.21 64.53 2jbj n SER 717 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jbj s LYS 718 N -2.98 3.38 0.05 1.43 -0.14 -0.56 -4.92 119.74 116.00 2jbj s LYS 718 Ca 0.10 1.75 0.23 0.00 -1.36 0.00 0.00 55.97 56.69 2jbj s LYS 718 Cb 0.17 -2.13 -0.01 0.00 -1.68 0.00 0.00 37.83 34.17 2jbj s LYS 718 CO 0.80 -0.86 0.96 1.55 -0.76 0.00 0.00 175.35 177.04 2jbj n VAL 719 N -1.09 0.18 -3.80 3.17 3.14 -1.26 -4.39 118.33 114.28 2jbj n VAL 719 Ca 0.11 -0.28 -0.33 0.00 -2.96 0.00 0.00 64.34 60.87 2jbj n VAL 719 Cb 0.49 0.18 -0.11 0.00 -1.06 0.00 0.00 33.84 33.35 2jbj n VAL 719 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2jbj s ASP 720 N -4.06 4.99 0.57 6.55 -1.08 -1.26 -4.96 116.67 117.41 2jbj s ASP 720 Ca 0.02 -3.15 0.29 0.00 -0.52 0.00 0.00 52.55 49.19 2jbj s ASP 720 Cb 0.14 -1.77 1.71 0.00 -1.46 0.00 0.00 42.92 41.55 2jbj s ASP 720 CO 0.82 -0.26 2.20 1.55 0.52 0.00 0.00 175.17 180.00 2jbj h PRO 721 N 6.52 0.00 0.04 4.34 0.13 -1.95 -1.45 132.00 139.63 2jbj h PRO 721 Ca 0.01 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.85 2jbj h PRO 721 Cb 0.89 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 2jbj h PRO 721 CO 0.72 0.03 -1.60 0.66 -0.23 0.00 0.00 178.00 177.59 2jbj h SER 722 N 0.00 0.13 0.11 1.44 4.64 -1.97 -0.41 113.55 117.49 2jbj h SER 722 Ca -0.00 -0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.11 2jbj h SER 722 Cb 0.09 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 2jbj h SER 722 CO 0.00 1.20 -0.25 0.50 -0.87 0.00 0.00 176.83 177.41 2jbj h LYS 723 N 0.02 -0.43 -0.81 4.77 3.64 -1.92 -1.51 116.57 120.34 2jbj h LYS 723 Ca -0.25 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.19 2jbj h LYS 723 Cb 1.98 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 33.85 2jbj h LYS 723 CO 0.10 -0.29 0.52 0.00 -2.27 0.00 0.00 179.45 177.52 2jbj h ALA 724 N 0.32 1.07 0.00 5.00 0.00 -1.23 -2.26 119.26 122.15 2jbj h ALA 724 Ca 0.03 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2jbj h ALA 724 Cb 0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2jbj h ALA 724 CO -0.15 0.34 -0.77 -1.49 0.00 0.00 0.00 179.25 177.18 2jbj h TRP 725 N 1.01 0.00 -0.77 0.00 4.06 -1.10 -2.50 115.95 116.65 2jbj h TRP 725 Ca 0.33 0.00 0.12 0.00 2.06 0.00 0.00 58.89 61.39 2jbj h TRP 725 Cb 0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.09 2jbj h TRP 725 CO -0.03 0.77 0.39 0.78 -3.56 0.00 0.00 178.44 176.80 2jbj h GLY 726 N 2.52 1.20 1.23 1.49 0.00 -0.91 -0.91 103.07 107.69 2jbj h GLY 726 Ca -0.01 -0.23 -0.23 0.00 0.00 0.00 0.00 47.33 46.86 2jbj h GLY 726 CO 0.10 0.02 -0.82 -2.09 0.00 0.00 0.00 176.54 173.75 2jbj h GLU 727 N 0.62 0.74 -0.32 4.80 4.57 -1.14 0.15 114.58 124.00 2jbj h GLU 727 Ca 0.40 -0.64 0.07 0.00 -1.18 0.00 0.00 59.36 58.00 2jbj h GLU 727 Cb 0.48 0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 29.14 2jbj h GLU 727 CO -0.31 1.24 -0.38 0.28 -1.18 0.00 0.00 179.01 178.67 2jbj h VAL 728 N 0.49 0.18 -0.57 0.32 2.07 -1.31 0.13 116.25 117.57 2jbj h VAL 728 Ca -0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.55 2jbj h VAL 728 Cb 1.45 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 2jbj h VAL 728 CO 0.17 0.00 0.18 0.11 0.02 0.00 0.00 177.57 178.04 2jbj h LYS 729 N -0.34 0.33 -0.71 1.57 1.57 -0.90 0.45 116.57 118.55 2jbj h LYS 729 Ca 0.13 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2jbj h LYS 729 Cb 0.57 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 2jbj h LYS 729 CO -0.50 0.22 0.45 -0.09 -0.57 0.00 0.00 179.45 178.95 2jbj h ARG 730 N 0.34 0.85 -0.36 3.15 2.43 -0.24 -1.92 114.38 118.63 2jbj h ARG 730 Ca 0.29 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 2jbj h ARG 730 Cb 0.37 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2jbj h ARG 730 CO -0.32 0.56 -0.15 1.96 -1.51 0.00 0.00 179.97 180.51 2jbj h GLN 731 N 0.88 0.66 -0.55 0.20 1.08 -0.11 -0.76 115.11 116.50 2jbj h GLN 731 Ca 0.28 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2jbj h GLN 731 Cb 0.01 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 2jbj h GLN 731 CO -0.10 0.78 0.34 0.82 -0.95 0.00 0.00 178.83 179.72 2jbj h ILE 732 N 0.59 1.16 -0.07 2.54 2.04 -0.47 -1.42 117.51 121.88 2jbj h ILE 732 Ca 0.10 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.63 2jbj h ILE 732 Cb 0.60 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2jbj h ILE 732 CO 0.04 0.16 -0.03 0.22 0.00 0.00 0.00 178.15 178.55 2jbj h TYR 733 N 0.75 -0.06 -0.68 1.37 3.20 -1.08 -0.85 116.97 119.62 2jbj h TYR 733 Ca 0.20 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.16 2jbj h TYR 733 Cb -0.03 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.21 2jbj h TYR 733 CO -0.03 -0.04 0.33 0.28 -1.64 0.00 0.00 178.16 177.06 2jbj h VAL 734 N -0.01 0.85 -0.14 1.81 2.07 -1.04 -0.38 116.25 119.42 2jbj h VAL 734 Ca 0.04 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2jbj h VAL 734 Cb 0.07 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2jbj h VAL 734 CO -0.08 0.10 -0.03 0.00 0.02 0.00 0.00 177.57 177.58 2jbj h ALA 735 N 1.41 0.19 -0.31 1.67 0.00 -0.99 -0.89 119.26 120.34 2jbj h ALA 735 Ca 0.33 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2jbj h ALA 735 Cb 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jbj h ALA 735 CO -0.26 -0.07 0.15 0.00 0.00 0.00 0.00 179.25 179.07 2jbj h ALA 736 N 0.71 0.37 -0.50 0.00 0.00 -1.11 0.07 119.26 118.80 2jbj h ALA 736 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jbj h ALA 736 Cb 0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jbj h ALA 736 CO 0.01 -0.23 0.26 0.35 0.00 0.00 0.00 179.25 179.65 2jbj h PHE 737 N 0.32 0.69 -0.57 0.00 3.57 -1.01 0.48 116.94 120.42 2jbj h PHE 737 Ca 0.13 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 2jbj h PHE 737 Cb 0.04 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2jbj h PHE 737 CO -0.10 0.53 0.03 1.15 -2.23 0.00 0.00 178.31 177.69 2jbj h THR 738 N 0.66 1.26 -0.29 4.41 2.02 -0.81 0.26 112.91 120.41 2jbj h THR 738 Ca 0.17 -1.07 -0.09 0.00 0.77 0.00 0.00 66.41 66.20 2jbj h THR 738 Cb 0.07 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2jbj h THR 738 CO -0.03 0.39 -0.16 0.58 0.37 0.00 0.00 175.52 176.67 2jbj h VAL 739 N 0.89 1.30 -0.30 3.16 2.07 -0.77 0.21 116.25 122.81 2jbj h VAL 739 Ca 0.17 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.42 2jbj h VAL 739 Cb 0.49 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2jbj h VAL 739 CO 0.02 0.41 0.18 -0.61 0.02 0.00 0.00 177.57 177.59 2jbj h GLN 740 N 0.38 0.36 -0.79 1.57 5.75 -0.64 -0.81 115.11 120.92 2jbj h GLN 740 Ca 0.06 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.50 2jbj h GLN 740 Cb 0.69 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 2jbj h GLN 740 CO 0.05 0.24 0.35 0.00 -2.65 0.00 0.00 178.83 176.82 2jbj h ALA 741 N 1.13 1.12 -0.50 3.38 0.00 -0.38 -1.60 119.26 122.41 2jbj h ALA 741 Ca 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jbj h ALA 741 Cb -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2jbj h ALA 741 CO -0.05 0.65 0.32 0.00 0.00 0.00 0.00 179.25 180.17 2jbj h ALA 742 N 1.24 0.64 -0.80 0.00 0.00 -0.64 -2.43 119.26 117.27 2jbj h ALA 742 Ca 0.27 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2jbj h ALA 742 Cb 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2jbj h ALA 742 CO -0.03 0.05 0.51 0.00 0.00 0.00 0.00 179.25 179.78 2jbj h ALA 743 N 1.20 1.07 0.00 0.00 0.00 -0.89 -1.72 119.26 118.91 2jbj h ALA 743 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jbj h ALA 743 Cb -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2jbj h ALA 743 CO -0.06 0.31 0.00 0.93 0.00 0.00 0.00 179.25 180.43 2jbj h GLU 744 N 0.98 0.00 0.00 0.00 5.08 -0.83 0.19 114.58 120.00 2jbj h GLU 744 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2jbj h GLU 744 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2jbj h GLU 744 CO -0.13 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.67 2jbj h THR 745 N 0.00 0.00 0.00 1.13 1.35 -0.95 -3.11 112.91 111.34 2jbj h THR 745 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2jbj h THR 745 Cb 0.30 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2jbj h THR 745 CO 0.00 0.00 -0.97 0.18 -0.25 0.00 0.00 175.52 174.48 2jbj n LEU 746 N -2.69 0.94 -4.66 3.87 4.77 0.05 -4.90 117.00 114.39 2jbj n LEU 746 Ca 0.01 -0.45 -0.34 0.00 -0.03 0.00 0.00 56.01 55.20 2jbj n LEU 746 Cb 0.23 -0.02 0.12 0.00 -2.33 0.00 0.00 43.42 41.42 2jbj n LEU 746 CO 0.22 0.23 0.66 -1.20 -1.33 0.00 0.00 177.39 175.97 2jbj n SER 747 N -1.51 0.66 -4.60 -1.43 7.64 -1.18 -4.68 113.62 108.52 2jbj n SER 747 Ca 0.04 0.57 -0.43 0.00 1.01 0.00 0.00 58.87 60.06 2jbj n SER 747 Cb 0.33 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 2jbj n SER 747 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jbj n GLU 748 N -3.00 1.35 0.10 1.43 1.02 -1.26 -4.86 120.64 115.42 2jbj n GLU 748 Ca 0.13 0.48 0.12 0.00 -0.02 0.00 0.00 57.16 57.87 2jbj n GLU 748 Cb 0.51 -1.95 0.21 0.00 -0.02 0.00 0.00 31.44 30.19 2jbj n GLU 748 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2jbj h VAL 749 N 1.72 0.00 0.00 2.62 -1.51 -1.93 -3.51 116.25 113.63 2jbj h VAL 749 Ca -0.42 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 2jbj h VAL 749 Cb 1.34 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 2jbj h VAL 749 CO 0.58 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.92