#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bmx h SER 27 N 0.00 0.74 -0.80 0.00 4.64 -2.05 -2.07 113.55 114.02 3bmx h SER 27 Ca 0.00 -0.33 -0.04 0.00 -0.47 0.00 0.00 61.79 60.95 3bmx h SER 27 Cb 0.00 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 3bmx h SER 27 CO 0.00 0.89 0.34 0.00 -0.87 0.00 0.00 176.83 177.19 3bmx h ALA 28 N 0.88 1.09 -0.19 5.18 0.00 -2.05 -0.76 119.26 123.41 3bmx h ALA 28 Ca 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3bmx h ALA 28 Cb 0.53 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3bmx h ALA 28 CO 0.03 0.66 -0.06 1.03 0.00 0.00 0.00 179.25 180.91 3bmx h SER 29 N 1.16 0.38 -0.72 0.00 0.87 -1.98 -2.18 113.55 111.07 3bmx h SER 29 Ca 0.27 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 3bmx h SER 29 Cb 0.18 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 3bmx h SER 29 CO -0.03 0.67 0.40 0.50 -0.53 0.00 0.00 176.83 177.85 3bmx h LYS 30 N 0.08 1.01 -0.61 2.24 3.64 -1.26 -2.15 116.57 119.52 3bmx h LYS 30 Ca 0.05 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3bmx h LYS 30 Cb 0.52 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3bmx h LYS 30 CO 0.02 0.75 0.39 -0.09 -2.27 0.00 0.00 179.45 178.26 3bmx h ARG 31 N 1.00 0.77 -0.51 1.90 2.43 -1.01 0.19 114.38 119.14 3bmx h ARG 31 Ca 0.26 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3bmx h ARG 31 Cb 0.04 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3bmx h ARG 31 CO -0.04 0.51 0.14 0.00 -1.51 0.00 0.00 179.97 179.07 3bmx h ALA 32 N 1.24 0.68 -0.31 2.80 0.00 -1.17 -0.90 119.26 121.60 3bmx h ALA 32 Ca 0.23 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3bmx h ALA 32 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3bmx h ALA 32 CO -0.07 0.35 -0.02 0.82 0.00 0.00 0.00 179.25 180.34 3bmx h ILE 33 N 0.71 1.26 -0.24 0.00 2.04 -1.01 -1.90 117.51 118.37 3bmx h ILE 33 Ca 0.16 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.06 3bmx h ILE 33 Cb 0.31 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3bmx h ILE 33 CO -0.00 0.32 0.09 0.44 0.00 0.00 0.00 178.15 179.00 3bmx h ASP 34 N 0.35 0.12 -0.84 1.72 3.32 -0.52 -0.83 116.42 119.75 3bmx h ASP 34 Ca 0.09 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3bmx h ASP 34 Cb 0.47 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3bmx h ASP 34 CO 0.02 0.10 0.54 0.00 -1.72 0.00 0.00 179.24 178.18 3bmx h ALA 35 N 1.14 1.07 -0.50 3.45 0.00 -1.09 -1.45 119.26 121.87 3bmx h ALA 35 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3bmx h ALA 35 Cb 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3bmx h ALA 35 CO -0.09 0.50 0.24 -0.97 0.00 0.00 0.00 179.25 178.92 3bmx h ASN 36 N 1.14 0.65 -0.81 0.00 -0.73 -0.89 -1.15 115.58 113.79 3bmx h ASN 36 Ca 0.31 -0.13 -0.03 0.00 1.87 0.00 0.00 56.30 58.31 3bmx h ASN 36 Cb -0.10 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.29 3bmx h ASN 36 CO -0.06 0.60 0.38 1.56 -0.37 0.00 0.00 177.43 179.53 3bmx h GLN 37 N 0.66 1.18 -0.09 6.67 1.08 -0.75 -0.60 115.11 123.26 3bmx h GLN 37 Ca 0.17 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 3bmx h GLN 37 Cb 0.12 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3bmx h GLN 37 CO -0.02 0.92 -0.00 0.82 -0.95 0.00 0.00 178.83 179.59 3bmx h ILE 38 N 1.16 1.25 -0.42 2.54 2.04 -1.08 -3.09 117.51 119.91 3bmx h ILE 38 Ca 0.28 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 3bmx h ILE 38 Cb 0.14 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3bmx h ILE 38 CO -0.03 0.23 -0.01 0.58 0.00 0.00 0.00 178.15 178.91 3bmx h VAL 39 N -0.12 1.23 -0.10 1.67 2.07 -1.09 -2.39 116.25 117.53 3bmx h VAL 39 Ca 0.03 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.63 3bmx h VAL 39 Cb 0.36 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3bmx h VAL 39 CO 0.01 0.33 0.11 0.78 0.02 0.00 0.00 177.57 178.81 3bmx h ASN 40 N 0.65 0.00 0.59 0.57 2.35 -1.02 -1.76 115.58 116.96 3bmx h ASN 40 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3bmx h ASN 40 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3bmx h ASN 40 CO 0.02 0.00 -0.54 0.54 -1.65 0.00 0.00 177.43 175.79 3bmx n ARG 41 N -3.82 0.08 -2.74 0.81 1.74 -0.90 -4.95 116.66 106.87 3bmx n ARG 41 Ca -0.01 0.02 -0.35 0.00 -0.77 0.00 0.00 57.85 56.74 3bmx n ARG 41 Cb 0.21 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 30.05 3bmx n ARG 41 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3bmx s MET 42 N -3.05 4.31 0.75 5.56 -1.94 -0.66 -5.06 119.30 119.22 3bmx s MET 42 Ca 0.10 1.27 -0.11 0.00 -1.71 0.00 0.00 55.69 55.23 3bmx s MET 42 Cb 0.17 -2.45 0.04 0.00 2.01 0.00 0.00 34.83 34.60 3bmx s MET 42 CO 0.71 0.03 1.09 -1.54 -0.01 0.00 0.00 175.02 175.30 3bmx s SER 43 N -1.87 4.93 0.25 3.03 1.04 -1.26 -4.87 113.70 114.95 3bmx s SER 43 Ca 0.58 1.27 -0.06 0.00 0.48 0.00 0.00 55.95 58.22 3bmx s SER 43 Cb -0.15 -2.04 0.29 0.00 0.10 0.00 0.00 66.02 64.22 3bmx s SER 43 CO 0.19 -1.69 1.90 0.25 0.98 0.00 0.00 173.24 174.88 3bmx h LEU 44 N -0.89 1.05 -0.91 2.42 5.85 -1.98 -1.16 115.31 119.70 3bmx h LEU 44 Ca -0.46 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 3bmx h LEU 44 Cb 1.26 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 3bmx h LEU 44 CO 0.61 0.73 0.49 0.44 -0.34 0.00 0.00 178.44 180.37 3bmx h ASP 45 N 1.23 1.13 -0.62 1.25 3.32 -1.99 -0.31 116.42 120.43 3bmx h ASP 45 Ca 0.38 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 3bmx h ASP 45 Cb -0.03 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3bmx h ASP 45 CO -0.11 0.91 0.11 -0.33 -1.72 0.00 0.00 179.24 178.10 3bmx h GLU 46 N 1.27 1.01 -0.11 3.56 5.08 -1.76 -1.08 114.58 122.55 3bmx h GLU 46 Ca 0.32 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3bmx h GLU 46 Cb 0.03 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3bmx h GLU 46 CO -0.05 0.94 0.01 0.87 -1.00 0.00 0.00 179.01 179.79 3bmx h LYS 47 N 0.92 0.19 -0.60 2.33 1.57 -0.68 -2.03 116.57 118.28 3bmx h LYS 47 Ca 0.19 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3bmx h LYS 47 Cb 0.42 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3bmx h LYS 47 CO 0.01 0.41 0.20 -0.07 -0.57 0.00 0.00 179.45 179.42 3bmx h LEU 48 N -0.05 0.82 -0.74 2.94 3.38 -1.03 -1.81 115.31 118.83 3bmx h LEU 48 Ca 0.03 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.98 3bmx h LEU 48 Cb 0.31 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 3bmx h LEU 48 CO 0.00 0.77 0.37 1.23 0.09 0.00 0.00 178.44 180.90 3bmx h GLY 49 N 0.99 1.12 2.00 0.83 0.00 -0.99 -1.69 103.07 105.33 3bmx h GLY 49 Ca 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3bmx h GLY 49 CO -0.01 0.05 -0.03 1.46 0.00 0.00 0.00 176.54 178.00 3bmx h GLN 50 N 0.61 0.00 -0.08 4.80 1.08 -0.58 -0.30 115.11 120.64 3bmx h GLN 50 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 3bmx h GLN 50 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3bmx h GLN 50 CO -0.28 0.03 0.00 -1.33 -0.95 0.00 0.00 178.83 176.30 3bmx n MET 51 N -4.38 1.35 -4.57 1.46 2.81 -0.64 -3.49 117.12 109.67 3bmx n MET 51 Ca -0.03 -0.53 -0.34 0.00 -1.81 0.00 0.00 57.70 54.99 3bmx n MET 51 Cb 0.12 -1.34 -0.12 0.00 -0.71 0.00 0.00 33.22 31.17 3bmx n MET 51 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3bmx s LEU 52 N -1.57 3.17 -0.45 4.03 1.43 -0.59 -0.50 118.68 124.20 3bmx s LEU 52 Ca 0.30 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 3bmx s LEU 52 Cb 0.15 -1.71 0.15 0.00 0.03 0.00 0.00 46.19 44.80 3bmx s LEU 52 CO 0.24 0.30 0.28 -0.32 0.23 0.00 0.00 176.35 177.08 3bmx s MET 53 N -0.41 1.25 0.80 1.70 1.75 -0.56 -2.32 119.30 121.50 3bmx s MET 53 Ca 0.06 -2.09 -0.12 0.00 -1.25 0.00 0.00 55.69 52.30 3bmx s MET 53 Cb -0.12 -2.14 0.07 0.00 2.84 0.00 0.00 34.83 35.48 3bmx s MET 53 CO 0.02 -1.23 1.11 -1.25 -0.65 0.00 0.00 175.02 173.03 3bmx s PRO 54 N 0.19 2.05 0.22 4.11 0.04 -1.24 -0.57 135.00 139.79 3bmx s PRO 54 Ca 0.21 0.48 0.05 0.00 0.04 0.00 0.00 61.00 61.78 3bmx s PRO 54 Cb -0.16 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3bmx s PRO 54 CO -0.05 -1.61 0.27 0.16 0.04 0.00 0.00 177.00 175.81 3bmx s ASP 55 N -4.09 5.99 -0.49 6.66 1.47 -1.26 -1.69 116.67 123.25 3bmx s ASP 55 Ca 0.61 -0.03 0.08 0.00 1.18 0.00 0.00 52.55 54.39 3bmx s ASP 55 Cb -0.13 -1.69 0.29 0.00 -0.34 0.00 0.00 42.92 41.05 3bmx s ASP 55 CO 0.53 -0.02 0.70 0.49 0.68 0.00 0.00 175.17 177.55 3bmx n PHE 56 N -1.05 1.67 0.17 2.11 3.01 -1.26 -4.76 117.46 117.36 3bmx n PHE 56 Ca -0.08 -3.86 -0.14 0.00 1.01 0.00 0.00 57.45 54.37 3bmx n PHE 56 Cb 0.56 -0.45 -0.08 0.00 -0.01 0.00 0.00 39.48 39.51 3bmx n PHE 56 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3bmx h ARG 57 N 3.67 -0.37 -6.25 -1.08 2.43 -1.93 -3.41 114.38 107.44 3bmx h ARG 57 Ca 0.12 0.03 -0.59 0.00 -0.81 0.00 0.00 59.98 58.73 3bmx h ARG 57 Cb 0.77 0.08 -0.18 0.00 -0.42 0.00 0.00 29.97 30.23 3bmx h ARG 57 CO 0.64 -0.20 -0.80 -0.80 -1.51 0.00 0.00 179.97 177.30 3bmx s ASN 58 N -4.91 3.11 -0.11 -3.80 0.01 -1.26 -1.65 114.94 106.33 3bmx s ASN 58 Ca -0.15 -0.89 -0.12 0.00 -0.71 0.00 0.00 52.86 50.99 3bmx s ASN 58 Cb 0.04 -0.22 0.03 0.00 0.41 0.00 0.00 41.25 41.52 3bmx s ASN 58 CO 0.63 0.04 0.34 0.86 -1.51 0.00 0.00 177.10 177.46 3bmx s TRP 59 N -1.96 -0.35 -0.38 2.20 -0.11 0.12 -4.67 118.94 113.78 3bmx s TRP 59 Ca 0.20 0.83 -0.01 0.00 1.22 0.00 0.00 56.10 58.34 3bmx s TRP 59 Cb -0.06 0.13 0.10 0.00 -1.50 0.00 0.00 33.47 32.13 3bmx s TRP 59 CO 0.09 -0.21 0.14 -1.14 -4.62 0.00 0.00 176.95 171.21 3bmx s GLN 60 N -0.03 1.97 0.82 5.86 0.74 0.57 -1.07 119.66 128.52 3bmx s GLN 60 Ca -0.02 -1.74 -0.10 0.00 0.05 0.00 0.00 55.36 53.54 3bmx s GLN 60 Cb -0.03 -3.45 0.09 0.00 1.10 0.00 0.00 33.01 30.72 3bmx s GLN 60 CO 0.01 -0.98 1.11 0.15 -0.55 0.00 0.00 175.29 175.03 3bmx s LYS 61 N 1.11 1.85 -0.03 1.67 1.02 -1.26 -4.55 119.74 119.55 3bmx s LYS 61 Ca 0.07 1.27 -0.38 0.00 0.02 0.00 0.00 55.97 56.94 3bmx s LYS 61 Cb -0.22 -1.84 -0.17 0.00 -0.52 0.00 0.00 37.83 35.08 3bmx s LYS 61 CO -0.04 -1.96 1.43 -1.91 -0.92 0.00 0.00 175.35 171.94 3bmx n GLU 62 N -3.75 1.01 0.00 1.68 4.07 -1.26 -1.40 120.64 120.99 3bmx n GLU 62 Ca 0.10 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 3bmx n GLU 62 Cb 0.53 -2.00 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 3bmx n GLU 62 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3bmx n GLY 63 N 2.90 1.97 3.95 8.31 0.00 -1.26 -5.06 105.19 115.99 3bmx n GLY 63 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3bmx n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bmx s GLU 64 N -0.75 3.11 0.00 1.61 2.02 -0.49 -5.05 118.70 119.14 3bmx s GLU 64 Ca 0.00 -0.40 0.06 0.00 0.02 0.00 0.00 54.97 54.64 3bmx s GLU 64 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 34.13 31.68 3bmx s GLU 64 CO 0.00 -0.27 0.41 -1.13 0.02 0.00 0.00 175.26 174.29 3bmx n SER 65 N -2.11 0.75 -3.54 -0.19 3.41 -1.26 -4.83 113.62 105.84 3bmx n SER 65 Ca 0.01 -0.87 -0.17 0.00 -0.26 0.00 0.00 58.87 57.57 3bmx n SER 65 Cb 0.57 0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 65.07 3bmx n SER 65 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3bmx s SER 66 N -1.12 -0.64 0.43 4.04 0.15 -1.26 -5.14 113.70 110.17 3bmx s SER 66 Ca 0.04 0.75 -0.26 0.00 0.70 0.00 0.00 55.95 57.18 3bmx s SER 66 Cb 0.04 0.61 -0.09 0.00 -1.71 0.00 0.00 66.02 64.88 3bmx s SER 66 CO 0.16 -0.57 1.42 -2.65 1.20 0.00 0.00 173.24 172.81 3bmx n PRO 67 N 1.09 2.29 -4.32 5.44 -0.02 -1.26 -4.61 135.00 133.61 3bmx n PRO 67 Ca -0.19 0.81 -0.20 0.00 -2.02 0.00 0.00 63.50 61.90 3bmx n PRO 67 Cb 0.57 -2.60 -0.11 0.00 -0.02 0.00 0.00 33.50 31.33 3bmx n PRO 67 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3bmx s GLN 68 N -2.35 1.23 0.22 -0.52 -1.52 -0.23 -4.75 119.66 111.74 3bmx s GLN 68 Ca 0.60 -1.41 -0.32 0.00 -1.95 0.00 0.00 55.36 52.28 3bmx s GLN 68 Cb -0.46 -1.20 -0.14 0.00 -0.22 0.00 0.00 33.01 30.99 3bmx s GLN 68 CO 0.59 0.23 1.42 0.00 -0.25 0.00 0.00 175.29 177.28 3bmx n ALA 69 N 0.21 0.97 -3.00 6.09 0.00 -1.26 0.14 120.51 123.66 3bmx n ALA 69 Ca -0.13 0.42 -0.44 0.00 0.00 0.00 0.00 53.44 53.30 3bmx n ALA 69 Cb 0.58 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 3bmx n ALA 69 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3bmx s LEU 70 N 0.28 5.13 -0.00 0.00 2.96 -0.66 -4.77 118.68 121.62 3bmx s LEU 70 Ca 0.71 -1.66 0.17 0.00 -0.22 0.00 0.00 54.13 53.13 3bmx s LEU 70 Cb -0.68 -2.36 -0.20 0.00 0.50 0.00 0.00 46.19 43.46 3bmx s LEU 70 CO 0.48 -1.13 0.70 0.35 -1.32 0.00 0.00 176.35 175.42 3bmx n THR 71 N 5.48 0.00 -4.04 3.68 -2.24 -1.26 -4.16 114.28 111.74 3bmx n THR 71 Ca 0.07 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.57 3bmx n THR 71 Cb 0.46 0.90 -0.14 0.00 -2.10 0.00 0.00 70.33 69.45 3bmx n THR 71 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3bmx s LYS 72 N -2.70 0.28 0.58 -0.78 2.20 -1.26 -4.72 119.74 113.33 3bmx s LYS 72 Ca 0.05 -0.10 -0.19 0.00 -0.36 0.00 0.00 55.97 55.37 3bmx s LYS 72 Cb 0.13 -0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.13 3bmx s LYS 72 CO 0.71 0.05 1.21 1.41 -0.36 0.00 0.00 175.35 178.38 3bmx s MET 73 N 0.02 3.05 0.16 4.03 -2.45 -1.26 -5.05 119.30 117.80 3bmx s MET 73 Ca 0.00 1.84 0.01 0.00 -1.25 0.00 0.00 55.69 56.30 3bmx s MET 73 Cb -0.02 -1.98 -0.04 0.00 1.25 0.00 0.00 34.83 34.03 3bmx s MET 73 CO -0.00 -1.15 0.02 0.54 1.05 0.00 0.00 175.02 175.47 3bmx s ASN 74 N -1.54 1.02 0.47 1.11 2.20 -1.26 -5.04 114.94 111.90 3bmx s ASN 74 Ca 0.76 -1.18 0.31 0.00 -0.94 0.00 0.00 52.86 51.81 3bmx s ASN 74 Cb -0.31 0.16 1.31 0.00 -2.00 0.00 0.00 41.25 40.41 3bmx s ASN 74 CO 0.34 -0.61 1.92 0.44 -2.94 0.00 0.00 177.10 176.25 3bmx h ASP 75 N 2.73 0.00 0.25 3.54 3.32 -1.98 -1.87 116.42 122.41 3bmx h ASP 75 Ca -0.36 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 3bmx h ASP 75 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3bmx h ASP 75 CO 0.62 0.00 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.69 3bmx h GLU 76 N 0.00 -0.32 -0.59 3.56 5.08 -1.99 -0.68 114.58 119.64 3bmx h GLU 76 Ca 0.00 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3bmx h GLU 76 Cb 0.44 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3bmx h GLU 76 CO 0.00 0.04 0.38 0.28 -1.00 0.00 0.00 179.01 178.71 3bmx h VAL 77 N -0.83 1.12 -0.82 3.13 2.07 -1.96 -2.05 116.25 116.90 3bmx h VAL 77 Ca -0.03 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.30 3bmx h VAL 77 Cb 0.51 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3bmx h VAL 77 CO 0.06 0.14 0.54 0.00 0.02 0.00 0.00 177.57 178.32 3bmx h ALA 78 N 1.24 1.65 0.00 1.67 0.00 -1.34 -0.69 119.26 121.79 3bmx h ALA 78 Ca 0.23 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3bmx h ALA 78 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3bmx h ALA 78 CO -0.07 0.21 -0.31 0.66 0.00 0.00 0.00 179.25 179.74 3bmx h SER 79 N 0.85 0.00 0.38 0.00 4.64 -0.38 -1.29 113.55 117.75 3bmx h SER 79 Ca 0.36 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.42 3bmx h SER 79 Cb 0.30 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3bmx h SER 79 CO -0.14 0.31 -1.13 -0.07 -0.87 0.00 0.00 176.83 174.94 3bmx h LEU 80 N 0.00 0.59 -0.60 5.97 3.38 -0.95 -0.55 115.31 123.15 3bmx h LEU 80 Ca -0.00 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.45 3bmx h LEU 80 Cb 0.59 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3bmx h LEU 80 CO 0.04 1.37 0.37 0.58 0.09 0.00 0.00 178.44 180.90 3bmx h VAL 81 N 0.19 1.08 -0.56 1.22 2.07 -1.00 -0.29 116.25 118.96 3bmx h VAL 81 Ca -0.13 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 3bmx h VAL 81 Cb 1.80 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3bmx h VAL 81 CO 0.20 0.13 -0.04 0.11 0.02 0.00 0.00 177.57 177.99 3bmx h LYS 82 N 0.74 1.01 -0.08 1.57 1.57 -1.17 0.66 116.57 120.87 3bmx h LYS 82 Ca 0.24 -0.34 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 3bmx h LYS 82 Cb 0.01 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3bmx h LYS 82 CO -0.09 1.02 -0.26 -0.22 -0.57 0.00 0.00 179.45 179.33 3bmx h LYS 83 N 0.92 0.32 0.00 3.15 3.64 -0.77 -3.35 116.57 120.47 3bmx h LYS 83 Ca 0.16 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3bmx h LYS 83 Cb 0.59 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3bmx h LYS 83 CO 0.04 0.86 -1.47 0.66 -2.27 0.00 0.00 179.45 177.26 3bmx n TYR 84 N -4.48 0.20 -3.57 1.91 4.01 -0.15 -5.00 117.16 110.08 3bmx n TYR 84 Ca -0.08 0.06 -0.20 0.00 -0.16 0.00 0.00 57.90 57.51 3bmx n TYR 84 Cb 0.46 -0.47 0.05 0.00 -0.31 0.00 0.00 39.34 39.07 3bmx n TYR 84 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3bmx n GLN 85 N -2.13 -4.60 -1.64 -0.72 6.02 0.22 -4.33 117.38 110.20 3bmx n GLN 85 Ca -0.01 0.69 -0.37 0.00 -0.01 0.00 0.00 57.00 57.30 3bmx n GLN 85 Cb 0.50 -5.33 0.06 0.00 1.02 0.00 0.00 30.24 26.48 3bmx n GLN 85 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3bmx n PHE 86 N -4.09 1.07 0.23 1.08 3.72 -1.26 -3.50 117.46 114.71 3bmx n PHE 86 Ca -0.25 0.43 0.12 0.00 -0.05 0.00 0.00 57.45 57.70 3bmx n PHE 86 Cb 0.66 -2.17 0.41 0.00 -0.94 0.00 0.00 39.48 37.44 3bmx n PHE 86 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3bmx h GLY 87 N 0.47 0.00 -2.30 1.37 0.00 -0.68 -3.44 103.07 98.49 3bmx h GLY 87 Ca -0.49 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.13 3bmx h GLY 87 CO 0.51 0.00 0.77 -0.32 0.00 0.00 0.00 176.54 177.50 3bmx s GLY 88 N -4.25 -0.24 -0.01 4.60 0.00 -1.21 -1.69 107.32 104.51 3bmx s GLY 88 Ca 0.03 0.29 0.01 0.00 0.00 0.00 0.00 44.72 45.05 3bmx s GLY 88 CO 0.63 1.89 -0.02 -0.42 0.00 0.00 0.00 173.10 175.17 3bmx s ILE 89 N -2.39 0.26 -0.12 0.90 -1.09 0.17 -3.70 121.20 115.23 3bmx s ILE 89 Ca 0.19 -0.07 -0.14 0.00 -2.23 0.00 0.00 60.65 58.40 3bmx s ILE 89 Cb 0.02 -0.27 -0.05 0.00 -1.58 0.00 0.00 42.46 40.58 3bmx s ILE 89 CO -0.01 0.11 0.31 -0.51 -1.23 0.00 0.00 174.94 173.61 3bmx s ILE 90 N 0.33 5.26 -0.07 2.92 2.07 -0.68 -1.39 121.20 129.63 3bmx s ILE 90 Ca -0.03 0.60 -0.05 0.00 -1.41 0.00 0.00 60.65 59.77 3bmx s ILE 90 Cb -0.06 -3.64 -0.04 0.00 0.13 0.00 0.00 42.46 38.85 3bmx s ILE 90 CO -0.01 0.45 0.14 -0.76 -1.91 0.00 0.00 174.94 172.85 3bmx s LEU 91 N 0.02 4.28 0.50 8.50 1.43 0.15 -4.22 118.68 129.34 3bmx s LEU 91 Ca 0.19 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 3bmx s LEU 91 Cb -0.14 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3bmx s LEU 91 CO 0.06 0.35 0.10 -0.36 0.23 0.00 0.00 176.35 176.73 3bmx s PHE 92 N -1.12 1.95 0.42 0.29 0.40 -1.26 -4.44 117.98 114.22 3bmx s PHE 92 Ca 0.19 -0.87 0.10 0.00 -0.60 0.00 0.00 56.93 55.76 3bmx s PHE 92 Cb -0.12 -1.72 0.94 0.00 0.51 0.00 0.00 43.02 42.63 3bmx s PHE 92 CO 0.09 0.11 2.01 0.00 0.70 0.00 0.00 175.22 178.13 3bmx h ALA 93 N 1.29 1.87 -0.29 5.36 0.00 -1.91 0.43 119.26 126.00 3bmx h ALA 93 Ca -0.42 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.55 3bmx h ALA 93 Cb 1.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3bmx h ALA 93 CO 0.71 0.04 0.21 0.93 0.00 0.00 0.00 179.25 181.15 3bmx h GLU 94 N 0.50 0.00 -0.01 0.00 3.07 -1.88 -2.43 114.58 113.83 3bmx h GLU 94 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3bmx h GLU 94 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 3bmx h GLU 94 CO -0.06 0.00 -0.42 0.09 -1.40 0.00 0.00 179.01 177.21 3bmx n ASN 95 N -4.42 1.03 -2.78 1.42 5.03 0.13 -4.27 115.26 111.41 3bmx n ASN 95 Ca 0.04 -0.82 -0.03 0.00 0.87 0.00 0.00 54.58 54.64 3bmx n ASN 95 Cb 0.38 0.30 0.04 0.00 -1.02 0.00 0.00 39.78 39.48 3bmx n ASN 95 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 3bmx n VAL 96 N -0.86 1.25 -0.08 2.41 0.24 -0.92 -4.70 118.33 115.67 3bmx n VAL 96 Ca 0.09 -3.00 -0.07 0.00 -2.04 0.00 0.00 64.34 59.33 3bmx n VAL 96 Cb 0.36 1.09 0.11 0.00 -1.47 0.00 0.00 33.84 33.93 3bmx n VAL 96 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3bmx h LYS 97 N 2.68 0.76 -5.76 7.34 1.57 -1.79 -0.86 116.57 120.50 3bmx h LYS 97 Ca -0.11 -0.28 -0.49 0.00 -1.87 0.00 0.00 60.65 57.90 3bmx h LYS 97 Cb 1.26 -0.05 -0.22 0.00 0.08 0.00 0.00 32.23 33.30 3bmx h LYS 97 CO 0.27 0.88 -0.80 0.95 -0.57 0.00 0.00 179.45 180.18 3bmx s THR 98 N -4.68 1.42 0.13 -0.16 -4.23 -1.26 -3.83 115.64 103.03 3bmx s THR 98 Ca -0.09 -1.43 -0.19 0.00 -1.18 0.00 0.00 61.69 58.80 3bmx s THR 98 Cb 0.13 -1.32 -0.06 0.00 1.34 0.00 0.00 72.50 72.60 3bmx s THR 98 CO 0.83 -0.14 1.78 0.74 -0.54 0.00 0.00 174.62 177.28 3bmx h THR 99 N 4.18 1.07 -0.28 3.99 2.02 -1.95 -0.34 112.91 121.59 3bmx h THR 99 Ca -0.44 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 3bmx h THR 99 Cb 1.19 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3bmx h THR 99 CO 0.40 0.06 0.16 0.50 0.37 0.00 0.00 175.52 177.01 3bmx h LYS 100 N 0.31 0.39 -0.42 6.66 3.64 -1.97 -1.43 116.57 123.76 3bmx h LYS 100 Ca 0.09 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3bmx h LYS 100 Cb -0.03 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3bmx h LYS 100 CO -0.02 0.34 -0.05 1.96 -2.27 0.00 0.00 179.45 179.41 3bmx h GLN 101 N 0.35 0.72 -0.35 1.90 4.20 -1.88 -2.60 115.11 117.44 3bmx h GLN 101 Ca 0.10 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 3bmx h GLN 101 Cb 0.05 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3bmx h GLN 101 CO -0.02 0.76 0.11 1.15 -0.67 0.00 0.00 178.83 180.16 3bmx h THR 102 N 0.66 1.21 -0.62 -0.54 2.02 -0.61 0.87 112.91 115.90 3bmx h THR 102 Ca 0.13 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3bmx h THR 102 Cb 0.49 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 3bmx h THR 102 CO 0.03 0.24 0.40 0.58 0.37 0.00 0.00 175.52 177.14 3bmx h VAL 103 N 0.42 1.17 -0.66 3.16 2.07 -1.15 -0.39 116.25 120.88 3bmx h VAL 103 Ca 0.11 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3bmx h VAL 103 Cb 0.26 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3bmx h VAL 103 CO -0.00 0.16 0.31 -0.61 0.02 0.00 0.00 177.57 177.45 3bmx h GLN 104 N 0.84 0.95 -0.43 1.57 5.75 -1.18 -1.51 115.11 121.11 3bmx h GLN 104 Ca 0.23 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 3bmx h GLN 104 Cb -0.08 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.29 3bmx h GLN 104 CO -0.05 0.76 0.07 1.25 -2.65 0.00 0.00 178.83 178.22 3bmx h LEU 105 N 0.91 0.68 -0.50 -2.39 5.85 -0.17 0.06 115.31 119.75 3bmx h LEU 105 Ca 0.22 -0.26 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 3bmx h LEU 105 Cb 0.13 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3bmx h LEU 105 CO -0.03 0.76 -0.32 0.71 -0.34 0.00 0.00 178.44 179.23 3bmx h THR 106 N 0.57 1.27 -0.50 1.05 1.35 -1.03 0.12 112.91 115.74 3bmx h THR 106 Ca 0.13 -1.48 0.02 0.00 -0.55 0.00 0.00 66.41 64.53 3bmx h THR 106 Cb 0.37 1.30 -0.03 0.00 -1.73 0.00 0.00 68.15 68.06 3bmx h THR 106 CO 0.01 0.50 0.31 0.44 -0.25 0.00 0.00 175.52 176.53 3bmx h ASP 107 N 0.75 0.52 -0.47 5.36 5.19 -1.17 -1.29 116.42 125.31 3bmx h ASP 107 Ca 0.08 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.39 3bmx h ASP 107 Cb 0.89 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 3bmx h ASP 107 CO 0.08 0.37 -0.06 0.44 -3.12 0.00 0.00 179.24 176.95 3bmx h ASP 108 N 0.63 0.91 -0.54 6.45 3.32 -0.74 -0.65 116.42 125.79 3bmx h ASP 108 Ca 0.19 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3bmx h ASP 108 Cb -0.02 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 3bmx h ASP 108 CO -0.07 1.00 0.34 1.88 -1.72 0.00 0.00 179.24 180.66 3bmx h TYR 109 N 0.84 0.71 -0.20 4.55 0.99 -0.51 -1.46 116.97 121.88 3bmx h TYR 109 Ca 0.14 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.80 3bmx h TYR 109 Cb 0.58 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 38.06 3bmx h TYR 109 CO 0.03 0.48 -0.21 1.96 -0.00 0.00 0.00 178.16 180.42 3bmx h GLN 110 N 0.73 0.35 -0.50 4.88 1.08 -0.86 -1.66 115.11 119.13 3bmx h GLN 110 Ca 0.20 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 3bmx h GLN 110 Cb -0.03 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 3bmx h GLN 110 CO -0.04 0.56 0.05 -0.22 -0.95 0.00 0.00 178.83 178.23 3bmx h LYS 111 N 0.32 0.81 0.00 1.46 3.64 -0.81 -2.96 116.57 119.03 3bmx h LYS 111 Ca 0.05 -0.20 -0.14 0.00 -1.27 0.00 0.00 60.65 59.10 3bmx h LYS 111 Cb 0.56 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3bmx h LYS 111 CO 0.04 0.79 -0.65 0.00 -2.27 0.00 0.00 179.45 177.35 3bmx h ALA 112 N 1.28 0.89 -2.19 5.00 0.00 -0.56 -3.43 119.26 120.26 3bmx h ALA 112 Ca 0.16 -0.59 -0.56 0.00 0.00 0.00 0.00 54.91 53.92 3bmx h ALA 112 Cb 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3bmx h ALA 112 CO 0.01 0.81 1.06 0.45 0.00 0.00 0.00 179.25 181.59 3bmx s SER 113 N -6.79 6.65 0.19 0.00 0.15 -0.69 -4.21 113.70 109.01 3bmx s SER 113 Ca -0.01 2.00 0.08 0.00 0.70 0.00 0.00 55.95 58.72 3bmx s SER 113 Cb 0.12 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.97 3bmx s SER 113 CO 0.76 -0.97 1.44 1.55 1.20 0.00 0.00 173.24 177.23 3bmx h PRO 114 N 9.56 0.03 0.00 5.44 0.13 -1.85 -3.42 132.00 141.89 3bmx h PRO 114 Ca -0.36 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3bmx h PRO 114 Cb 1.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3bmx h PRO 114 CO 0.97 0.82 -0.45 1.63 -0.23 0.00 0.00 178.00 180.74 3bmx n LYS 115 N -3.60 0.22 -4.51 0.86 5.02 -1.26 -5.07 118.16 109.81 3bmx n LYS 115 Ca -0.01 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.03 3bmx n LYS 115 Cb 0.78 -0.73 -0.17 0.00 -0.02 0.00 0.00 35.03 34.89 3bmx n LYS 115 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bmx s ILE 116 N -1.45 1.11 0.44 -0.18 1.01 -1.26 -5.11 121.20 115.75 3bmx s ILE 116 Ca 0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 60.65 59.95 3bmx s ILE 116 Cb 0.00 -1.03 -0.09 0.00 0.01 0.00 0.00 42.46 41.35 3bmx s ILE 116 CO 0.00 0.35 1.19 -2.65 0.00 0.00 0.00 174.94 173.83 3bmx n PRO 117 N 3.92 1.69 -2.68 2.79 -0.02 -1.26 -4.91 135.00 134.54 3bmx n PRO 117 Ca -0.22 0.61 -0.37 0.00 -2.02 0.00 0.00 63.50 61.49 3bmx n PRO 117 Cb 0.52 -2.29 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 3bmx n PRO 117 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3bmx s LEU 118 N -1.50 4.30 -0.02 2.45 1.43 -1.26 -4.94 118.68 119.14 3bmx s LEU 118 Ca 0.63 1.94 -0.30 0.00 -1.03 0.00 0.00 54.13 55.37 3bmx s LEU 118 Cb -0.51 -4.03 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 3bmx s LEU 118 CO 0.56 -0.20 1.34 -0.04 0.23 0.00 0.00 176.35 178.24 3bmx s MET 119 N -2.12 4.30 -0.31 1.70 -1.94 -0.68 -4.95 119.30 115.30 3bmx s MET 119 Ca 0.52 1.87 -0.02 0.00 -1.71 0.00 0.00 55.69 56.35 3bmx s MET 119 Cb -0.21 -3.58 0.05 0.00 2.01 0.00 0.00 34.83 33.10 3bmx s MET 119 CO 0.27 -0.54 0.01 -0.51 -0.01 0.00 0.00 175.02 174.24 3bmx s LEU 120 N 2.38 3.95 0.36 -0.03 1.43 -1.26 -0.65 118.68 124.86 3bmx s LEU 120 Ca 0.61 -1.25 0.08 0.00 -1.03 0.00 0.00 54.13 52.54 3bmx s LEU 120 Cb -0.29 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 3bmx s LEU 120 CO 0.25 -0.27 0.13 -0.94 0.23 0.00 0.00 176.35 175.74 3bmx s SER 121 N 1.28 4.51 -0.03 2.29 1.04 -0.49 -1.48 113.70 120.82 3bmx s SER 121 Ca -0.05 -0.89 -0.29 0.00 0.48 0.00 0.00 55.95 55.20 3bmx s SER 121 Cb -0.20 -0.62 0.10 0.00 0.10 0.00 0.00 66.02 65.40 3bmx s SER 121 CO -0.01 -0.35 0.82 -0.51 0.98 0.00 0.00 173.24 174.18 3bmx s ILE 122 N -2.49 0.00 -1.13 -1.02 2.07 -1.00 -0.67 121.20 116.96 3bmx s ILE 122 Ca 0.38 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.57 3bmx s ILE 122 Cb -0.00 -1.00 0.27 0.00 0.13 0.00 0.00 42.46 41.86 3bmx s ILE 122 CO 0.22 0.00 1.60 0.47 -1.91 0.00 0.00 174.94 175.31 3bmx n ASP 123 N 0.24 6.13 -4.22 4.50 8.00 -1.26 -0.60 116.55 129.34 3bmx n ASP 123 Ca -0.13 -3.35 -0.44 0.00 0.71 0.00 0.00 54.79 51.59 3bmx n ASP 123 Cb 0.60 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 3bmx n ASP 123 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3bmx n GLN 124 N 1.91 3.72 0.11 -1.24 -0.06 -1.26 -4.15 117.38 116.41 3bmx n GLN 124 Ca 0.30 -4.17 -0.17 0.00 -2.00 0.00 0.00 57.00 50.96 3bmx n GLN 124 Cb 0.34 -2.73 -0.14 0.00 -4.06 0.00 0.00 30.24 23.65 3bmx n GLN 124 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 3bmx h GLU 125 N 6.35 0.31 0.00 3.69 5.08 -1.64 -3.46 114.58 124.91 3bmx h GLU 125 Ca 0.26 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3bmx h GLU 125 Cb 0.77 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3bmx h GLU 125 CO 1.25 1.24 0.00 0.41 -1.00 0.00 0.00 179.01 180.91 3bmx n GLY 126 N 1.53 2.16 7.00 -3.84 0.00 -0.44 -4.80 105.19 106.80 3bmx n GLY 126 Ca -0.09 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3bmx n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bmx n GLY 127 N 1.94 3.40 0.00 -0.02 0.00 -0.30 -2.99 105.19 107.23 3bmx n GLY 127 Ca 0.00 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.05 3bmx n GLY 127 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3bmx n ILE 128 N 0.00 0.00 -3.88 -0.61 -5.35 -1.26 -4.30 119.36 103.96 3bmx n ILE 128 Ca 0.00 -0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.17 3bmx n ILE 128 Cb 0.00 -0.48 -0.15 0.00 -1.74 0.00 0.00 39.64 37.27 3bmx n ILE 128 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3bmx s VAL 129 N -2.60 1.76 0.06 7.28 1.01 -1.16 -5.08 120.40 121.67 3bmx s VAL 129 Ca 0.27 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 60.08 3bmx s VAL 129 Cb 0.20 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3bmx s VAL 129 CO 0.47 -0.68 -0.05 0.42 0.00 0.00 0.00 175.10 175.26 3bmx s THR 130 N 0.93 0.41 0.00 3.92 -4.23 -1.26 -1.32 115.64 114.09 3bmx s THR 130 Ca 0.12 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 3bmx s THR 130 Cb -0.20 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.31 3bmx s THR 130 CO -0.12 -0.83 0.00 0.54 -0.54 0.00 0.00 174.62 173.68 3bmx n ARG 131 N 0.38 3.32 -1.97 3.99 5.12 -1.26 -4.89 116.66 121.35 3bmx n ARG 131 Ca -0.15 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.34 3bmx n ARG 131 Cb 0.60 -0.93 -0.03 0.00 -1.16 0.00 0.00 32.46 30.94 3bmx n ARG 131 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3bmx s LEU 132 N -3.54 4.36 0.53 0.55 1.43 -1.26 -4.40 118.68 116.35 3bmx s LEU 132 Ca 0.00 2.41 0.31 0.00 -1.03 0.00 0.00 54.13 55.82 3bmx s LEU 132 Cb 0.00 -3.56 1.38 0.00 0.03 0.00 0.00 46.19 44.04 3bmx s LEU 132 CO 0.00 -0.87 2.01 1.23 0.23 0.00 0.00 176.35 178.94 3bmx h GLY 133 N 8.79 0.00 -0.11 -3.19 0.00 -1.25 -3.18 103.07 104.12 3bmx h GLY 133 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3bmx h GLY 133 CO 0.93 0.00 -0.06 1.18 0.00 0.00 0.00 176.54 178.59 3bmx n GLU 134 N -3.30 1.55 -2.28 4.80 1.02 -1.25 -4.94 120.64 116.23 3bmx n GLU 134 Ca -0.01 -1.38 -0.26 0.00 -0.02 0.00 0.00 57.16 55.50 3bmx n GLU 134 Cb 0.30 -0.90 0.12 0.00 -0.02 0.00 0.00 31.44 30.94 3bmx n GLU 134 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3bmx s GLY 135 N -1.08 1.75 -0.24 0.62 0.00 -1.21 -3.31 107.32 103.86 3bmx s GLY 135 Ca 0.06 -1.36 -0.26 0.00 0.00 0.00 0.00 44.72 43.16 3bmx s GLY 135 CO 0.01 -0.77 0.90 -1.59 0.00 0.00 0.00 173.10 171.64 3bmx s THR 136 N -3.40 4.78 0.05 0.90 2.01 -1.26 -4.68 115.64 114.04 3bmx s THR 136 Ca 0.67 1.72 -0.16 0.00 0.31 0.00 0.00 61.69 64.24 3bmx s THR 136 Cb -0.06 -4.18 -0.24 0.00 0.01 0.00 0.00 72.50 68.02 3bmx s THR 136 CO 0.47 -0.12 1.15 0.78 -0.69 0.00 0.00 174.62 176.22 3bmx h ASN 137 N 7.61 0.80 -3.77 3.53 2.35 -1.93 -3.49 115.58 120.69 3bmx h ASN 137 Ca -0.22 -0.75 0.21 0.00 -0.55 0.00 0.00 56.30 54.99 3bmx h ASN 137 Cb 1.08 -0.25 -0.11 0.00 0.05 0.00 0.00 38.32 39.09 3bmx h ASN 137 CO 0.91 1.46 -0.74 0.49 -1.65 0.00 0.00 177.43 177.90 3bmx n PHE 138 N -3.95 -2.32 0.51 1.19 3.01 -1.26 -1.15 117.46 113.49 3bmx n PHE 138 Ca -0.11 1.27 0.13 0.00 1.01 0.00 0.00 57.45 59.75 3bmx n PHE 138 Cb 0.83 -2.11 0.29 0.00 -0.01 0.00 0.00 39.48 38.48 3bmx n PHE 138 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3bmx h PRO 139 N -0.85 0.00 0.00 -1.08 0.13 -1.92 -1.78 132.00 126.50 3bmx h PRO 139 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3bmx h PRO 139 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3bmx h PRO 139 CO 0.04 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.22 3bmx n GLY 140 N 1.27 1.02 0.23 1.56 0.00 -1.26 -4.32 105.19 103.68 3bmx n GLY 140 Ca 0.04 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 3bmx n GLY 140 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3bmx h ASN 141 N 0.00 0.72 0.33 1.61 4.21 -1.81 -1.16 115.58 119.49 3bmx h ASN 141 Ca 0.00 -0.29 -0.11 0.00 1.21 0.00 0.00 56.30 57.12 3bmx h ASN 141 Cb 0.00 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.00 3bmx h ASN 141 CO 0.00 0.82 -0.46 -0.03 -1.29 0.00 0.00 177.43 176.48 3bmx h MET 142 N 0.59 0.16 -0.44 0.81 4.05 -0.74 0.15 114.93 119.51 3bmx h MET 142 Ca 0.13 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 3bmx h MET 142 Cb 0.44 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 3bmx h MET 142 CO 0.02 0.59 0.26 0.00 0.23 0.00 0.00 176.91 178.00 3bmx h ALA 143 N 1.40 0.56 -0.82 0.39 0.00 -1.75 0.19 119.26 119.23 3bmx h ALA 143 Ca 0.01 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3bmx h ALA 143 Cb 0.86 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 3bmx h ALA 143 CO 0.07 0.05 0.48 -0.07 0.00 0.00 0.00 179.25 179.78 3bmx h LEU 144 N 0.58 0.73 -0.31 0.00 3.38 -0.39 -0.83 115.31 118.47 3bmx h LEU 144 Ca 0.16 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3bmx h LEU 144 Cb 0.00 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3bmx h LEU 144 CO -0.03 0.45 0.06 1.23 0.09 0.00 0.00 178.44 180.24 3bmx h GLY 145 N 0.85 0.36 1.70 0.83 0.00 -0.06 -1.43 103.07 105.31 3bmx h GLY 145 Ca 0.37 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 3bmx h GLY 145 CO -0.21 -0.02 -0.07 0.00 0.00 0.00 0.00 176.54 176.25 3bmx h ALA 146 N 1.23 1.44 0.00 3.60 0.00 -0.22 -2.14 119.26 123.17 3bmx h ALA 146 Ca 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3bmx h ALA 146 Cb 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3bmx h ALA 146 CO -0.19 0.39 -0.03 0.00 0.00 0.00 0.00 179.25 179.42 3bmx h ALA 147 N 1.57 0.99 -0.01 0.00 0.00 -0.77 -1.76 119.26 119.29 3bmx h ALA 147 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3bmx h ALA 147 Cb 0.35 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3bmx h ALA 147 CO 0.02 0.04 -0.00 0.54 0.00 0.00 0.00 179.25 179.84 3bmx n ARG 148 N -3.11 -1.31 -3.53 0.00 5.12 -0.58 -4.96 116.66 108.29 3bmx n ARG 148 Ca 0.03 0.34 -0.39 0.00 -1.93 0.00 0.00 57.85 55.90 3bmx n ARG 148 Cb 0.48 -4.32 -0.10 0.00 -1.16 0.00 0.00 32.46 27.35 3bmx n ARG 148 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3bmx s SER 149 N -2.01 6.08 0.24 0.55 0.15 -1.26 -4.94 113.70 112.51 3bmx s SER 149 Ca 0.00 -0.08 -0.06 0.00 0.70 0.00 0.00 55.95 56.51 3bmx s SER 149 Cb 0.00 -2.14 0.28 0.00 -1.71 0.00 0.00 66.02 62.45 3bmx s SER 149 CO 0.00 -0.14 1.90 0.03 1.20 0.00 0.00 173.24 176.23 3bmx h ARG 150 N 8.38 1.17 -0.65 5.44 3.08 -1.94 -2.39 114.38 127.47 3bmx h ARG 150 Ca -0.33 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3bmx h ARG 150 Cb 1.17 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 3bmx h ARG 150 CO 0.59 0.78 0.42 0.82 -1.07 0.00 0.00 179.97 181.51 3bmx h ILE 151 N 1.21 1.18 -0.50 2.04 2.04 -1.99 -0.88 117.51 120.60 3bmx h ILE 151 Ca 0.37 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 3bmx h ILE 151 Cb -0.04 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 3bmx h ILE 151 CO -0.11 0.18 0.03 0.78 0.00 0.00 0.00 178.15 179.02 3bmx h ASN 152 N 0.89 0.79 -0.37 1.72 -0.26 -1.90 0.11 115.58 116.55 3bmx h ASN 152 Ca 0.24 -0.18 -0.06 0.00 -0.56 0.00 0.00 56.30 55.73 3bmx h ASN 152 Cb -0.07 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 36.96 3bmx h ASN 152 CO -0.05 0.84 -0.02 0.00 -1.06 0.00 0.00 177.43 177.14 3bmx h ALA 153 N 1.25 0.51 -0.46 -0.83 0.00 -0.98 -0.45 119.26 118.30 3bmx h ALA 153 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3bmx h ALA 153 Cb 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3bmx h ALA 153 CO 0.02 0.29 0.29 -0.92 0.00 0.00 0.00 179.25 178.93 3bmx h TYR 154 N 0.49 0.59 -0.87 0.00 5.03 -0.88 -1.73 116.97 119.60 3bmx h TYR 154 Ca 0.10 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.43 3bmx h TYR 154 Cb 0.49 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.53 3bmx h TYR 154 CO 0.04 0.40 0.57 0.37 -1.32 0.00 0.00 178.16 178.22 3bmx h GLN 155 N 0.61 1.14 -0.09 1.82 4.15 -0.64 0.70 115.11 122.80 3bmx h GLN 155 Ca 0.17 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3bmx h GLN 155 Cb -0.03 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 27.40 3bmx h GLN 155 CO -0.03 0.76 0.04 1.15 -1.93 0.00 0.00 178.83 178.81 3bmx h THR 156 N 1.18 1.14 -0.77 2.39 2.02 -0.85 0.39 112.91 118.40 3bmx h THR 156 Ca 0.32 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3bmx h THR 156 Cb -0.14 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 3bmx h THR 156 CO -0.07 0.12 0.47 1.23 0.37 0.00 0.00 175.52 177.64 3bmx h GLY 157 N -0.00 1.12 0.88 2.16 0.00 -1.00 -0.97 103.07 105.26 3bmx h GLY 157 Ca 0.03 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 3bmx h GLY 157 CO -0.00 0.44 -0.22 0.23 0.00 0.00 0.00 176.54 176.99 3bmx h SER 158 N 1.06 0.61 -0.21 0.19 0.87 -0.63 0.13 113.55 115.56 3bmx h SER 158 Ca 0.28 -0.47 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 3bmx h SER 158 Cb -0.05 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 3bmx h SER 158 CO -0.05 0.95 -0.03 0.40 -0.53 0.00 0.00 176.83 177.57 3bmx h ILE 159 N 0.27 1.27 -0.58 2.23 2.04 -0.75 0.39 117.51 122.39 3bmx h ILE 159 Ca 0.04 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 64.98 3bmx h ILE 159 Cb 0.77 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 3bmx h ILE 159 CO 0.06 0.30 0.30 0.40 0.00 0.00 0.00 178.15 179.20 3bmx h ILE 160 N 0.13 0.95 -0.84 -0.67 2.04 -1.18 -0.98 117.51 116.96 3bmx h ILE 160 Ca 0.06 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3bmx h ILE 160 Cb 0.46 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3bmx h ILE 160 CO 0.02 0.10 0.52 1.23 0.00 0.00 0.00 178.15 180.02 3bmx h GLY 161 N 0.57 1.22 1.16 5.37 0.00 -0.45 -0.08 103.07 110.86 3bmx h GLY 161 Ca 0.26 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3bmx h GLY 161 CO -0.17 0.48 0.11 0.50 0.00 0.00 0.00 176.54 177.46 3bmx h LYS 162 N 1.16 1.03 -0.28 4.80 1.57 -0.39 0.16 116.57 124.63 3bmx h LYS 162 Ca 0.30 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3bmx h LYS 162 Cb -0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3bmx h LYS 162 CO -0.06 0.95 -0.05 0.93 -0.57 0.00 0.00 179.45 180.65 3bmx h GLU 163 N 0.97 0.52 -0.54 3.15 5.08 -0.61 -1.78 114.58 121.37 3bmx h GLU 163 Ca 0.20 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3bmx h GLU 163 Cb 0.41 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3bmx h GLU 163 CO 0.01 0.72 0.20 -0.07 -1.00 0.00 0.00 179.01 178.87 3bmx h LEU 164 N 0.28 0.76 -0.52 1.33 3.38 -0.86 -2.29 115.31 117.40 3bmx h LEU 164 Ca 0.07 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3bmx h LEU 164 Cb 0.51 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3bmx h LEU 164 CO 0.02 0.74 0.34 -1.28 0.09 0.00 0.00 178.44 178.35 3bmx h SER 165 N 0.74 0.60 -0.17 -0.43 0.87 -0.86 -1.05 113.55 113.26 3bmx h SER 165 Ca 0.18 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3bmx h SER 165 Cb 0.23 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3bmx h SER 165 CO -0.01 0.45 0.11 0.00 -0.53 0.00 0.00 176.83 176.84 3bmx h ALA 166 N 1.18 1.85 -0.00 6.23 0.00 -1.01 -2.12 119.26 125.38 3bmx h ALA 166 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3bmx h ALA 166 Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3bmx h ALA 166 CO -0.04 0.13 -0.14 1.28 0.00 0.00 0.00 179.25 180.48 3bmx n LEU 167 N -4.50 0.53 0.00 0.00 4.77 -0.50 -4.64 117.00 112.65 3bmx n LEU 167 Ca -0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3bmx n LEU 167 Cb 0.08 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3bmx n LEU 167 CO 0.35 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3bmx n GLY 168 N 1.30 0.50 3.70 -0.72 0.00 -0.80 -4.20 105.19 104.97 3bmx n GLY 168 Ca 0.13 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3bmx n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bmx s ILE 169 N -2.00 5.18 -0.65 -0.61 1.01 -0.56 -4.83 121.20 118.74 3bmx s ILE 169 Ca 0.00 0.88 0.05 0.00 0.00 0.00 0.00 60.65 61.58 3bmx s ILE 169 Cb 0.00 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.72 3bmx s ILE 169 CO 0.00 0.27 0.69 -0.46 0.00 0.00 0.00 174.94 175.44 3bmx n ASN 170 N 4.13 1.48 -3.78 3.58 0.23 -0.55 -3.69 115.26 116.67 3bmx n ASN 170 Ca -0.07 -1.26 -0.16 0.00 -0.53 0.00 0.00 54.58 52.56 3bmx n ASN 170 Cb 0.51 -0.01 -0.16 0.00 -2.08 0.00 0.00 39.78 38.04 3bmx n ASN 170 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3bmx s THR 171 N -0.46 0.01 -0.12 5.53 2.01 -0.79 -1.09 115.64 120.73 3bmx s THR 171 Ca 0.06 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.28 3bmx s THR 171 Cb 0.04 -0.15 -0.00 0.00 0.01 0.00 0.00 72.50 72.40 3bmx s THR 171 CO 0.07 0.11 -0.19 -0.62 -0.69 0.00 0.00 174.62 173.30 3bmx s ASP 172 N 1.15 3.47 -1.32 3.53 2.15 0.13 -2.38 116.67 123.40 3bmx s ASP 172 Ca -0.08 -0.48 -0.14 0.00 0.43 0.00 0.00 52.55 52.28 3bmx s ASP 172 Cb -0.13 -1.50 0.11 0.00 -0.30 0.00 0.00 42.92 41.10 3bmx s ASP 172 CO -0.03 0.14 1.84 0.49 -0.17 0.00 0.00 175.17 177.45 3bmx n PHE 173 N 3.65 4.04 -3.57 -5.34 0.99 0.23 -2.26 117.46 115.19 3bmx n PHE 173 Ca -0.19 -2.98 -0.13 0.00 -0.00 0.00 0.00 57.45 54.15 3bmx n PHE 173 Cb 0.53 -2.36 -0.06 0.00 -1.00 0.00 0.00 39.48 36.58 3bmx n PHE 173 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3bmx s SER 174 N 2.88 -0.53 0.21 4.37 0.15 -0.99 -4.61 113.70 115.18 3bmx s SER 174 Ca 0.46 0.71 -0.11 0.00 0.70 0.00 0.00 55.95 57.72 3bmx s SER 174 Cb 0.07 0.62 -0.07 0.00 -1.71 0.00 0.00 66.02 64.92 3bmx s SER 174 CO -0.00 -0.40 0.55 -2.16 1.20 0.00 0.00 173.24 172.44 3bmx s PRO 175 N -0.76 3.86 0.01 5.44 0.04 -1.14 -2.54 135.00 139.92 3bmx s PRO 175 Ca -0.04 0.35 -0.30 0.00 0.04 0.00 0.00 61.00 61.05 3bmx s PRO 175 Cb -0.02 -2.72 -0.07 0.00 0.04 0.00 0.00 34.50 31.73 3bmx s PRO 175 CO 0.03 0.36 1.71 0.08 0.04 0.00 0.00 177.00 179.23 3bmx s VAL 176 N -1.72 3.26 -0.14 -0.36 1.01 -1.26 -1.90 120.40 119.29 3bmx s VAL 176 Ca 0.45 0.49 0.17 0.00 0.00 0.00 0.00 61.98 63.08 3bmx s VAL 176 Cb -0.12 -3.31 0.30 0.00 0.00 0.00 0.00 36.38 33.25 3bmx s VAL 176 CO 0.20 -0.03 1.16 1.33 0.00 0.00 0.00 175.10 177.76 3bmx n VAL 177 N 5.19 1.84 -1.88 2.92 0.24 0.49 -4.68 118.33 122.45 3bmx n VAL 177 Ca 0.17 -2.33 -0.39 0.00 -2.04 0.00 0.00 64.34 59.75 3bmx n VAL 177 Cb 0.42 -0.19 0.02 0.00 -1.47 0.00 0.00 33.84 32.62 3bmx n VAL 177 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3bmx s ASP 178 N -2.85 5.65 -0.31 -1.34 1.01 -1.14 -4.80 116.67 112.89 3bmx s ASP 178 Ca 0.32 2.73 -0.06 0.00 0.71 0.00 0.00 52.55 56.24 3bmx s ASP 178 Cb 0.29 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.60 3bmx s ASP 178 CO 0.01 -1.31 0.07 -0.63 0.21 0.00 0.00 175.17 173.52 3bmx s ILE 179 N -1.31 3.77 -1.39 0.77 1.01 -1.26 -4.44 121.20 118.35 3bmx s ILE 179 Ca 0.66 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 3bmx s ILE 179 Cb -0.39 -3.02 0.07 0.00 0.01 0.00 0.00 42.46 39.13 3bmx s ILE 179 CO 0.48 -0.01 2.04 -3.20 0.00 0.00 0.00 174.94 174.25 3bmx n ASN 180 N 4.82 4.33 -0.87 3.58 5.15 -0.93 -4.06 115.26 127.28 3bmx n ASN 180 Ca -0.14 -2.90 0.12 0.00 -0.60 0.00 0.00 54.58 51.06 3bmx n ASN 180 Cb 0.47 -1.65 0.27 0.00 -0.53 0.00 0.00 39.78 38.33 3bmx n ASN 180 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3bmx n ASN 181 N 6.32 2.64 -4.23 1.20 0.23 -1.21 -4.25 115.26 115.95 3bmx n ASN 181 Ca 0.49 -1.86 -0.37 0.00 -0.53 0.00 0.00 54.58 52.31 3bmx n ASN 181 Cb 0.40 -0.12 -0.12 0.00 -2.08 0.00 0.00 39.78 37.86 3bmx n ASN 181 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3bmx s ASN 182 N -1.69 5.27 0.62 0.53 3.84 -1.19 -4.97 114.94 117.34 3bmx s ASN 182 Ca 0.34 -1.34 0.41 0.00 0.21 0.00 0.00 52.86 52.49 3bmx s ASN 182 Cb 0.21 -1.85 2.21 0.00 -0.55 0.00 0.00 41.25 41.26 3bmx s ASN 182 CO 0.30 -0.37 2.26 -0.65 -2.79 0.00 0.00 177.10 175.85 3bmx h PRO 183 N 8.18 0.00 -0.05 0.43 0.11 -1.91 -0.96 132.00 137.80 3bmx h PRO 183 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3bmx h PRO 183 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3bmx h PRO 183 CO 0.62 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.16 3bmx n ASP 184 N -2.98 0.83 -4.65 -2.05 8.00 -1.26 -4.68 116.55 109.77 3bmx n ASP 184 Ca -0.02 -1.44 -0.43 0.00 0.71 0.00 0.00 54.79 53.60 3bmx n ASP 184 Cb 0.09 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 3bmx n ASP 184 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3bmx n ASN 185 N -0.28 3.91 -0.19 -2.24 2.85 -0.37 -4.63 115.26 114.31 3bmx n ASN 185 Ca 0.18 0.78 0.12 0.00 -0.11 0.00 0.00 54.58 55.55 3bmx n ASN 185 Cb 0.22 -1.51 0.31 0.00 1.24 0.00 0.00 39.78 40.03 3bmx n ASN 185 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3bmx n PRO 186 N 7.67 0.62 -0.00 1.20 -0.04 -1.26 -4.10 135.00 139.08 3bmx n PRO 186 Ca 0.22 -0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3bmx n PRO 186 Cb 0.40 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 3bmx n PRO 186 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3bmx n VAL 187 N -0.86 0.05 0.00 0.52 3.14 -1.26 -4.92 118.33 115.00 3bmx n VAL 187 Ca 0.10 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 3bmx n VAL 187 Cb 0.35 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 33.07 3bmx n VAL 187 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 3bmx n ILE 188 N -1.76 0.00 0.00 1.55 2.08 -1.26 -4.89 119.36 115.07 3bmx n ILE 188 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 3bmx n ILE 188 Cb 0.25 -0.79 0.00 0.00 -0.75 0.00 0.00 39.64 38.35 3bmx n ILE 188 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3bmx n GLY 189 N 2.60 3.87 0.00 7.39 0.00 -1.26 -1.55 105.19 116.24 3bmx n GLY 189 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.20 3bmx n GLY 189 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3bmx n VAL 190 N 0.00 0.38 0.41 1.61 0.24 -1.26 -1.30 118.33 118.41 3bmx n VAL 190 Ca 0.00 0.09 0.12 0.00 -2.04 0.00 0.00 64.34 62.52 3bmx n VAL 190 Cb 0.00 -0.79 0.49 0.00 -1.47 0.00 0.00 33.84 32.07 3bmx n VAL 190 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3bmx n ARG 191 N -1.24 0.21 -3.58 7.34 1.74 -0.60 -1.47 116.66 119.06 3bmx n ARG 191 Ca 0.10 0.41 -0.33 0.00 -0.77 0.00 0.00 57.85 57.25 3bmx n ARG 191 Cb 0.14 -1.89 -0.05 0.00 -1.02 0.00 0.00 32.46 29.64 3bmx n ARG 191 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3bmx s SER 192 N -4.34 6.60 0.27 0.55 0.15 -0.42 -4.62 113.70 111.89 3bmx s SER 192 Ca 0.05 0.75 0.01 0.00 0.70 0.00 0.00 55.95 57.46 3bmx s SER 192 Cb 0.10 -2.16 0.38 0.00 -1.71 0.00 0.00 66.02 62.62 3bmx s SER 192 CO 0.42 0.11 1.72 -0.26 1.20 0.00 0.00 173.24 176.42 3bmx h PHE 193 N 3.31 0.62 -1.58 3.44 0.04 -1.78 -2.44 116.94 118.55 3bmx h PHE 193 Ca -0.48 -0.12 0.25 0.00 2.80 0.00 0.00 57.97 60.42 3bmx h PHE 193 Cb 1.18 -0.15 -0.17 0.00 2.20 0.00 0.00 35.95 39.01 3bmx h PHE 193 CO 0.64 0.73 0.77 0.45 -0.60 0.00 0.00 178.31 180.30 3bmx s SER 194 N -6.78 -0.15 0.00 2.17 0.15 -1.26 -3.91 113.70 103.92 3bmx s SER 194 Ca -0.07 -0.04 0.29 0.00 0.70 0.00 0.00 55.95 56.83 3bmx s SER 194 Cb 0.14 0.18 1.19 0.00 -1.71 0.00 0.00 66.02 65.82 3bmx s SER 194 CO 0.80 -0.30 1.82 -1.54 1.20 0.00 0.00 173.24 175.22 3bmx n SER 195 N -0.19 1.06 -4.69 5.45 3.41 -0.71 -2.19 113.62 115.76 3bmx n SER 195 Ca -0.02 -1.23 -0.35 0.00 -0.26 0.00 0.00 58.87 57.00 3bmx n SER 195 Cb 0.59 0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.46 3bmx n SER 195 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3bmx s ASN 196 N -2.11 5.88 0.34 4.04 3.84 -1.26 -4.68 114.94 120.98 3bmx s ASN 196 Ca 0.37 0.17 0.07 0.00 0.21 0.00 0.00 52.86 53.69 3bmx s ASN 196 Cb 0.21 -1.99 0.61 0.00 -0.55 0.00 0.00 41.25 39.53 3bmx s ASN 196 CO 0.38 0.21 1.82 0.08 -2.79 0.00 0.00 177.10 176.79 3bmx h ARG 197 N 6.45 0.28 -0.02 0.43 0.11 -1.92 -1.86 114.38 117.85 3bmx h ARG 197 Ca -0.41 -0.09 -0.20 0.00 0.10 0.00 0.00 59.98 59.39 3bmx h ARG 197 Cb 1.17 -0.03 0.01 0.00 1.11 0.00 0.00 29.97 32.24 3bmx h ARG 197 CO 0.70 0.51 -0.76 0.93 0.10 0.00 0.00 179.97 181.46 3bmx h GLU 198 N 0.26 0.54 -0.43 0.08 3.07 -1.97 -0.99 114.58 115.14 3bmx h GLU 198 Ca 0.04 -0.56 -0.05 0.00 -0.50 0.00 0.00 59.36 58.29 3bmx h GLU 198 Cb 0.56 0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 3bmx h GLU 198 CO 0.04 1.19 0.07 1.25 -1.40 0.00 0.00 179.01 180.16 3bmx h LEU 199 N 0.12 0.67 -0.43 1.33 5.85 -1.97 -1.04 115.31 119.84 3bmx h LEU 199 Ca -0.09 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3bmx h LEU 199 Cb 1.44 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 3bmx h LEU 199 CO 0.15 0.76 0.27 0.74 -0.34 0.00 0.00 178.44 180.02 3bmx h THR 200 N 0.56 1.12 -0.50 1.05 2.02 -1.36 -1.87 112.91 113.92 3bmx h THR 200 Ca 0.13 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3bmx h THR 200 Cb 0.37 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3bmx h THR 200 CO 0.01 0.12 0.25 -1.28 0.37 0.00 0.00 175.52 174.99 3bmx h SER 201 N 0.58 0.65 0.10 4.18 0.87 -0.92 -0.49 113.55 118.51 3bmx h SER 201 Ca 0.16 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3bmx h SER 201 Cb -0.03 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 3bmx h SER 201 CO -0.03 0.59 -0.05 -0.09 -0.53 0.00 0.00 176.83 176.72 3bmx h ARG 202 N 0.67 -0.13 -0.18 2.24 2.43 -1.06 -0.86 114.38 117.49 3bmx h ARG 202 Ca 0.17 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 3bmx h ARG 202 Cb 0.10 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3bmx h ARG 202 CO -0.02 0.09 -0.39 -0.07 -1.51 0.00 0.00 179.97 178.06 3bmx h LEU 203 N -0.33 0.43 -0.39 3.80 3.38 -1.28 -1.87 115.31 119.05 3bmx h LEU 203 Ca -0.01 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3bmx h LEU 203 Cb 0.27 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3bmx h LEU 203 CO 0.02 0.78 0.23 1.23 0.09 0.00 0.00 178.44 180.80 3bmx h GLY 204 N 1.13 0.55 0.98 0.83 0.00 -0.96 -0.88 103.07 104.73 3bmx h GLY 204 Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3bmx h GLY 204 CO 0.07 0.16 0.22 -2.00 0.00 0.00 0.00 176.54 174.99 3bmx h LEU 205 N 0.47 0.44 -0.70 3.11 6.46 -0.81 -0.79 115.31 123.49 3bmx h LEU 205 Ca 0.15 -0.05 -0.13 0.00 -0.12 0.00 0.00 57.88 57.74 3bmx h LEU 205 Cb 0.00 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 3bmx h LEU 205 CO -0.07 0.35 -0.44 1.88 -0.62 0.00 0.00 178.44 179.55 3bmx h TYR 206 N 0.48 0.57 -0.13 1.25 -1.99 -1.21 -1.01 116.97 114.93 3bmx h TYR 206 Ca 0.13 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 3bmx h TYR 206 Cb -0.01 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.60 3bmx h TYR 206 CO -0.04 0.83 0.07 1.15 -0.00 0.00 0.00 178.16 180.18 3bmx h THR 207 N 0.39 1.09 -0.56 -2.88 2.02 -0.94 -1.55 112.91 110.48 3bmx h THR 207 Ca 0.03 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.00 3bmx h THR 207 Cb 0.93 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 68.31 3bmx h THR 207 CO 0.08 0.09 0.31 -0.03 0.37 0.00 0.00 175.52 176.33 3bmx h MET 208 N 0.12 0.58 -0.36 6.66 1.85 -0.93 -1.52 114.93 121.33 3bmx h MET 208 Ca 0.05 -0.03 -0.07 0.00 -0.61 0.00 0.00 59.70 59.03 3bmx h MET 208 Cb 0.07 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 31.96 3bmx h MET 208 CO -0.01 0.38 -0.07 0.87 -0.40 0.00 0.00 176.91 177.68 3bmx h LYS 209 N 0.59 0.59 -0.49 0.39 1.79 -0.99 -0.53 116.57 117.92 3bmx h LYS 209 Ca 0.24 -0.16 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 3bmx h LYS 209 Cb 0.12 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 3bmx h LYS 209 CO -0.15 0.67 0.08 0.78 -1.08 0.00 0.00 179.45 179.75 3bmx h GLY 210 N 0.93 0.87 0.94 3.86 0.00 -0.58 -0.86 103.07 108.23 3bmx h GLY 210 Ca 0.11 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3bmx h GLY 210 CO 0.02 0.54 0.15 1.41 0.00 0.00 0.00 176.54 178.67 3bmx h LEU 211 N 0.69 0.50 -1.18 3.11 3.38 -0.90 -3.07 115.31 117.83 3bmx h LEU 211 Ca 0.15 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3bmx h LEU 211 Cb 0.39 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3bmx h LEU 211 CO 0.01 0.52 -0.38 1.56 0.09 0.00 0.00 178.44 180.24 3bmx h GLN 212 N 0.45 0.05 -0.01 1.13 4.20 -0.95 -1.38 115.11 118.60 3bmx h GLN 212 Ca 0.12 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3bmx h GLN 212 Cb 0.17 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3bmx h GLN 212 CO -0.01 0.42 0.01 -0.09 -0.67 0.00 0.00 178.83 178.49 3bmx h ARG 213 N 0.04 0.00 -0.64 1.46 9.65 -1.06 -0.73 114.38 123.10 3bmx h ARG 213 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3bmx h ARG 213 Cb 0.70 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 3bmx h ARG 213 CO 0.05 0.00 0.00 1.04 2.80 0.00 0.00 179.97 183.86 3bmx n GLN 214 N -4.16 3.80 -2.61 0.20 1.13 -0.56 -4.91 117.38 110.27 3bmx n GLN 214 Ca -0.03 -2.57 -0.20 0.00 -1.94 0.00 0.00 57.00 52.26 3bmx n GLN 214 Cb 0.09 -1.96 0.01 0.00 0.11 0.00 0.00 30.24 28.49 3bmx n GLN 214 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3bmx n ASP 215 N 0.78 -5.66 -4.66 1.08 8.00 -0.28 -4.85 116.55 110.96 3bmx n ASP 215 Ca 0.23 -0.12 -0.36 0.00 0.71 0.00 0.00 54.79 55.25 3bmx n ASP 215 Cb 0.91 -4.61 -0.09 0.00 -0.02 0.00 0.00 41.12 37.30 3bmx n ASP 215 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bmx s ILE 216 N -3.03 5.32 0.14 0.53 -1.09 -0.98 -4.83 121.20 117.25 3bmx s ILE 216 Ca 0.12 0.16 -0.31 0.00 -2.23 0.00 0.00 60.65 58.39 3bmx s ILE 216 Cb -0.05 -3.47 -0.10 0.00 -1.58 0.00 0.00 42.46 37.26 3bmx s ILE 216 CO 0.14 0.36 1.60 0.00 -1.23 0.00 0.00 174.94 175.81 3bmx s ALA 217 N 0.98 3.76 -0.10 9.38 0.00 -0.25 -3.67 121.76 131.86 3bmx s ALA 217 Ca 0.07 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.37 3bmx s ALA 217 Cb -0.13 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 3bmx s ALA 217 CO 0.04 -0.87 -0.11 0.45 0.00 0.00 0.00 175.76 175.27 3bmx s SER 218 N 1.50 4.26 -0.17 0.00 0.15 -1.26 -0.70 113.70 117.49 3bmx s SER 218 Ca 0.71 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 57.16 3bmx s SER 218 Cb -0.43 -1.31 -0.01 0.00 -1.71 0.00 0.00 66.02 62.56 3bmx s SER 218 CO 0.32 0.26 -0.12 0.00 1.20 0.00 0.00 173.24 174.90 3bmx s ALA 219 N -0.22 2.61 0.21 5.45 0.00 -0.96 -1.95 121.76 126.91 3bmx s ALA 219 Ca 0.02 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 3bmx s ALA 219 Cb -0.13 -1.35 -0.08 0.00 0.00 0.00 0.00 23.12 21.56 3bmx s ALA 219 CO 0.03 -0.07 1.13 -0.51 0.00 0.00 0.00 175.76 176.34 3bmx s LEU 220 N 0.87 4.50 0.03 0.00 1.43 -0.43 -2.35 118.68 122.73 3bmx s LEU 220 Ca -0.03 2.19 0.01 0.00 -1.03 0.00 0.00 54.13 55.27 3bmx s LEU 220 Cb -0.15 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 3bmx s LEU 220 CO -0.00 -0.24 -0.06 -0.54 0.23 0.00 0.00 176.35 175.73 3bmx s LYS 221 N -0.66 0.45 -0.22 1.70 1.02 -0.80 -0.35 119.74 120.88 3bmx s LYS 221 Ca 0.49 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.79 3bmx s LYS 221 Cb -0.31 -0.16 0.05 0.00 -0.52 0.00 0.00 37.83 36.88 3bmx s LYS 221 CO 0.37 0.02 -0.12 -1.01 -0.92 0.00 0.00 175.35 173.69 3bmx s HIS 222 N -1.39 2.80 0.20 3.18 0.09 -1.26 -0.38 115.29 118.54 3bmx s HIS 222 Ca -0.12 -1.90 -0.30 0.00 -0.00 0.00 0.00 55.06 52.75 3bmx s HIS 222 Cb -0.10 -1.79 -0.08 0.00 -0.00 0.00 0.00 32.58 30.61 3bmx s HIS 222 CO -0.00 -0.81 1.10 0.12 -0.00 0.00 0.00 174.74 175.15 3bmx s PHE 223 N 1.27 3.60 -0.37 1.40 5.36 0.66 -0.23 117.98 129.67 3bmx s PHE 223 Ca -0.04 1.63 0.07 0.00 -0.96 0.00 0.00 56.93 57.64 3bmx s PHE 223 Cb -0.17 -3.27 0.64 0.00 -0.34 0.00 0.00 43.02 39.88 3bmx s PHE 223 CO -0.08 -0.56 1.70 -0.35 -1.46 0.00 0.00 175.22 174.48 3bmx n PRO 224 N 2.08 3.14 0.00 10.12 -0.04 -1.26 -0.42 135.00 148.61 3bmx n PRO 224 Ca 0.02 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 3bmx n PRO 224 Cb 0.46 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 3bmx n PRO 224 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bmx n GLY 225 N -0.26 2.91 1.10 0.55 0.00 0.68 -4.28 105.19 105.89 3bmx n GLY 225 Ca 0.39 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.80 3bmx n GLY 225 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3bmx n HIS 226 N 0.00 0.47 0.25 1.61 -0.00 -1.18 -4.57 115.22 111.80 3bmx n HIS 226 Ca 0.00 -0.23 0.14 0.00 0.46 0.00 0.00 57.72 58.09 3bmx n HIS 226 Cb 0.00 0.00 0.53 0.00 -0.12 0.00 0.00 29.99 30.40 3bmx n HIS 226 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3bmx h GLY 227 N 4.59 0.00 -1.68 1.57 0.00 -1.90 -3.13 103.07 102.52 3bmx h GLY 227 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bmx h GLY 227 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.88 3bmx n ASP 228 N -3.19 2.64 -4.82 0.19 2.03 -1.26 -3.15 116.55 109.00 3bmx n ASP 228 Ca 0.01 -1.90 -0.34 0.00 0.52 0.00 0.00 54.79 53.07 3bmx n ASP 228 Cb 0.39 -0.23 -0.07 0.00 -0.72 0.00 0.00 41.12 40.49 3bmx n ASP 228 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3bmx s THR 229 N -1.53 4.45 -1.53 5.18 -4.23 -1.18 -4.72 115.64 112.07 3bmx s THR 229 Ca 0.35 1.40 0.16 0.00 -1.18 0.00 0.00 61.69 62.42 3bmx s THR 229 Cb 0.19 -3.73 0.38 0.00 1.34 0.00 0.00 72.50 70.68 3bmx s THR 229 CO 0.27 -0.10 1.30 -0.90 -0.54 0.00 0.00 174.62 174.65 3bmx n ASP 230 N -0.09 3.14 -4.29 3.99 5.68 -1.26 -3.51 116.55 120.21 3bmx n ASP 230 Ca 0.04 -1.93 -0.28 0.00 -0.50 0.00 0.00 54.79 52.12 3bmx n ASP 230 Cb 0.52 -0.26 -0.15 0.00 -1.14 0.00 0.00 41.12 40.10 3bmx n ASP 230 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3bmx s VAL 231 N -1.09 1.89 -0.26 2.12 1.01 -1.26 -4.56 120.40 118.25 3bmx s VAL 231 Ca 0.31 -1.26 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 3bmx s VAL 231 Cb 0.17 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3bmx s VAL 231 CO 0.23 0.31 0.59 -0.62 0.00 0.00 0.00 175.10 175.60 3bmx s ASP 232 N -1.14 6.53 0.03 3.32 -1.08 -1.26 -4.72 116.67 118.35 3bmx s ASP 232 Ca 0.09 0.64 0.10 0.00 -0.52 0.00 0.00 52.55 52.87 3bmx s ASP 232 Cb -0.09 -2.32 0.45 0.00 -1.46 0.00 0.00 42.92 39.51 3bmx s ASP 232 CO 0.02 -0.34 1.33 -1.54 0.52 0.00 0.00 175.17 175.16 3bmx n SER 233 N 5.64 0.06 0.22 -0.34 3.41 -1.25 -0.80 113.62 120.57 3bmx n SER 233 Ca -0.02 0.52 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 3bmx n SER 233 Cb 0.49 -0.53 0.49 0.00 -0.26 0.00 0.00 64.21 64.40 3bmx n SER 233 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3bmx h HIS 234 N 0.00 0.00 0.00 7.33 3.86 -1.93 -2.27 115.15 122.13 3bmx h HIS 234 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3bmx h HIS 234 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3bmx h HIS 234 CO 0.00 0.26 -1.08 0.66 0.86 0.00 0.00 177.93 178.63 3bmx n TYR 235 N -3.61 0.00 -3.79 2.45 4.01 0.02 -2.48 117.16 113.77 3bmx n TYR 235 Ca -0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.69 3bmx n TYR 235 Cb 0.39 -0.08 -0.01 0.00 -0.31 0.00 0.00 39.34 39.33 3bmx n TYR 235 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3bmx s GLY 236 N -2.34 -0.15 -0.36 2.72 0.00 -0.64 -4.76 107.32 101.79 3bmx s GLY 236 Ca -0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.45 3bmx s GLY 236 CO 0.16 0.20 0.72 -2.27 0.00 0.00 0.00 173.10 171.91 3bmx s LEU 237 N -2.99 4.18 0.59 0.66 2.96 -1.26 -3.76 118.68 119.06 3bmx s LEU 237 Ca 0.13 0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 54.24 3bmx s LEU 237 Cb -0.02 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.71 3bmx s LEU 237 CO 0.04 -0.67 0.96 -2.84 -1.32 0.00 0.00 176.35 172.52 3bmx s PRO 238 N 2.94 3.37 -0.06 0.98 0.02 -1.26 -4.94 135.00 136.05 3bmx s PRO 238 Ca 0.29 0.46 0.03 0.00 0.02 0.00 0.00 61.00 61.80 3bmx s PRO 238 Cb -0.14 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.22 3bmx s PRO 238 CO 0.16 -0.57 -0.15 -1.17 -0.33 0.00 0.00 177.00 174.94 3bmx s LEU 239 N -5.07 1.80 -0.21 -5.54 2.96 -1.26 -0.81 118.68 110.54 3bmx s LEU 239 Ca 0.53 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3bmx s LEU 239 Cb -0.11 -0.92 0.03 0.00 0.50 0.00 0.00 46.19 45.70 3bmx s LEU 239 CO 0.50 0.09 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.78 3bmx s VAL 240 N 0.36 2.18 -2.94 1.68 1.01 -0.11 -4.80 120.40 117.79 3bmx s VAL 240 Ca -0.10 -1.18 0.24 0.00 0.00 0.00 0.00 61.98 60.94 3bmx s VAL 240 Cb -0.14 -2.06 0.23 0.00 0.00 0.00 0.00 36.38 34.41 3bmx s VAL 240 CO 0.03 0.31 1.32 -1.20 0.00 0.00 0.00 175.10 175.56 3bmx n SER 241 N 4.56 2.82 -4.72 3.32 7.64 -1.26 -3.99 113.62 121.98 3bmx n SER 241 Ca -0.18 -1.94 -0.35 0.00 1.01 0.00 0.00 58.87 57.40 3bmx n SER 241 Cb 0.47 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.75 3bmx n SER 241 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3bmx s HIS 242 N -2.00 2.05 0.91 1.43 3.76 -1.26 -4.81 115.29 115.37 3bmx s HIS 242 Ca 0.29 1.55 -0.12 0.00 -0.15 0.00 0.00 55.06 56.63 3bmx s HIS 242 Cb 0.20 -3.57 0.14 0.00 1.11 0.00 0.00 32.58 30.46 3bmx s HIS 242 CO 0.31 -2.75 1.14 0.20 -0.85 0.00 0.00 174.74 172.79 3bmx s GLY 243 N -1.73 1.58 0.32 -2.22 0.00 -1.26 -4.46 107.32 99.55 3bmx s GLY 243 Ca 0.78 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.98 3bmx s GLY 243 CO 0.43 0.01 1.85 1.46 0.00 0.00 0.00 173.10 176.84 3bmx h GLN 244 N -1.50 0.53 -0.08 2.90 4.20 -1.95 -2.02 115.11 117.18 3bmx h GLN 244 Ca -0.50 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.11 3bmx h GLN 244 Cb 1.33 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 3bmx h GLN 244 CO 0.61 0.58 -0.05 1.49 -0.67 0.00 0.00 178.83 180.79 3bmx h GLU 245 N 0.50 -0.05 -0.42 1.46 4.81 -1.99 0.11 114.58 119.01 3bmx h GLU 245 Ca 0.10 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3bmx h GLU 245 Cb 0.39 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3bmx h GLU 245 CO 0.02 -0.03 0.25 -0.09 -0.73 0.00 0.00 179.01 178.43 3bmx h ARG 246 N -0.05 0.57 -0.50 1.92 9.65 -1.90 -1.65 114.38 122.42 3bmx h ARG 246 Ca 0.05 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 3bmx h ARG 246 Cb 0.13 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 3bmx h ARG 246 CO -0.12 0.42 -0.17 -0.07 2.80 0.00 0.00 179.97 182.83 3bmx h LEU 247 N 0.55 1.01 -0.64 3.80 3.38 -1.00 0.41 115.31 122.82 3bmx h LEU 247 Ca 0.15 -0.36 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 3bmx h LEU 247 Cb -0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3bmx h LEU 247 CO -0.03 1.16 -0.65 0.03 0.09 0.00 0.00 178.44 179.03 3bmx h ARG 248 N 0.87 0.00 0.00 1.13 3.08 -0.74 -1.30 114.38 117.41 3bmx h ARG 248 Ca 0.12 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.00 3bmx h ARG 248 Cb 0.74 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 3bmx h ARG 248 CO 0.06 0.65 -1.21 0.93 -1.07 0.00 0.00 179.97 179.33 3bmx h GLU 249 N 0.00 0.00 0.00 0.04 4.39 -1.01 -3.38 114.58 114.62 3bmx h GLU 249 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3bmx h GLU 249 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3bmx h GLU 249 CO 0.08 0.44 0.00 0.28 -1.16 0.00 0.00 179.01 178.65 3bmx n VAL 250 N -3.03 0.00 -0.25 3.13 0.31 0.11 -4.53 118.33 114.07 3bmx n VAL 250 Ca -0.07 0.06 0.05 0.00 -0.01 0.00 0.00 64.34 64.37 3bmx n VAL 250 Cb 0.86 -0.84 0.18 0.00 -0.91 0.00 0.00 33.84 33.13 3bmx n VAL 250 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3bmx h GLU 251 N 0.00 0.34 0.00 5.55 3.07 -1.61 -1.61 114.58 120.32 3bmx h GLU 251 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3bmx h GLU 251 Cb 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 3bmx h GLU 251 CO 0.00 0.22 0.00 -0.07 -1.40 0.00 0.00 179.01 177.76 3bmx h LEU 252 N 0.35 0.00 0.04 1.33 3.38 -1.43 -3.38 115.31 115.60 3bmx h LEU 252 Ca 0.42 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.40 3bmx h LEU 252 Cb 0.68 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3bmx h LEU 252 CO -0.46 0.00 -0.15 0.22 0.09 0.00 0.00 178.44 178.14 3bmx h TYR 253 N 0.00 -0.40 0.00 1.13 5.03 -1.46 -0.21 116.97 121.06 3bmx h TYR 253 Ca 0.00 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.26 3bmx h TYR 253 Cb 0.76 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.21 3bmx h TYR 253 CO 0.00 -0.23 -0.30 -1.00 -1.32 0.00 0.00 178.16 175.32 3bmx h PRO 254 N -0.27 0.00 -0.23 1.82 0.13 -1.75 -1.73 132.00 129.95 3bmx h PRO 254 Ca 0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 3bmx h PRO 254 Cb 0.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 3bmx h PRO 254 CO -0.12 0.30 0.02 0.74 -0.23 0.00 0.00 178.00 178.71 3bmx h PHE 255 N 0.00 0.43 -0.54 1.56 -1.00 -1.61 -2.51 116.94 113.27 3bmx h PHE 255 Ca -0.00 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 3bmx h PHE 255 Cb 0.53 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.95 3bmx h PHE 255 CO 0.00 0.55 0.29 0.37 -1.61 0.00 0.00 178.31 177.91 3bmx h GLN 256 N 0.19 0.75 -0.65 1.51 5.75 -0.62 0.12 115.11 122.16 3bmx h GLN 256 Ca 0.07 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3bmx h GLN 256 Cb 0.36 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 3bmx h GLN 256 CO 0.01 0.58 0.30 0.87 -2.65 0.00 0.00 178.83 177.94 3bmx h LYS 257 N 0.72 0.94 -0.01 1.69 1.79 -1.32 -0.73 116.57 119.65 3bmx h LYS 257 Ca 0.19 -0.15 -0.19 0.00 -2.18 0.00 0.00 60.65 58.32 3bmx h LYS 257 Cb 0.05 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 3bmx h LYS 257 CO -0.03 0.76 -0.84 0.00 -1.08 0.00 0.00 179.45 178.26 3bmx h ALA 258 N 1.13 0.54 -0.37 3.86 0.00 -1.08 -2.25 119.26 121.09 3bmx h ALA 258 Ca 0.22 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3bmx h ALA 258 Cb 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3bmx h ALA 258 CO -0.03 0.87 0.23 0.82 0.00 0.00 0.00 179.25 181.15 3bmx h ILE 259 N 0.14 1.11 -0.04 0.00 2.04 -0.58 -0.83 117.51 119.35 3bmx h ILE 259 Ca -0.04 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 3bmx h ILE 259 Cb 1.45 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3bmx h ILE 259 CO 0.13 0.11 -0.15 0.44 0.00 0.00 0.00 178.15 178.69 3bmx h ASP 260 N 0.49 0.06 -0.42 1.72 3.32 -1.03 -1.98 116.42 118.57 3bmx h ASP 260 Ca 0.13 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3bmx h ASP 260 Cb -0.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3bmx h ASP 260 CO -0.03 0.21 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 3bmx n ALA 261 N -2.50 2.62 -0.10 3.45 0.00 -0.86 -4.92 120.51 118.20 3bmx n ALA 261 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3bmx n ALA 261 Cb 0.23 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3bmx n ALA 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bmx n GLY 262 N 1.02 1.64 3.65 0.00 0.00 -0.75 -5.03 105.19 105.72 3bmx n GLY 262 Ca 0.15 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 3bmx n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bmx n ALA 263 N -1.23 0.66 0.12 4.61 0.00 -0.37 -4.90 120.51 119.39 3bmx n ALA 263 Ca 0.00 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.60 3bmx n ALA 263 Cb 0.02 -2.16 -0.15 0.00 0.00 0.00 0.00 19.45 17.16 3bmx n ALA 263 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3bmx h ASP 264 N 2.48 0.67 -5.07 0.00 3.32 -1.90 -3.44 116.42 112.49 3bmx h ASP 264 Ca -0.43 -0.79 -0.12 0.00 0.02 0.00 0.00 57.03 55.71 3bmx h ASP 264 Cb 1.31 -0.22 -0.18 0.00 0.22 0.00 0.00 39.33 40.46 3bmx h ASP 264 CO 0.63 1.63 -0.45 -0.04 -1.72 0.00 0.00 179.24 179.29 3bmx s MET 265 N -2.61 0.63 -0.06 3.56 -1.94 -0.82 -1.72 119.30 116.34 3bmx s MET 265 Ca -0.09 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 3bmx s MET 265 Cb 0.05 0.26 0.02 0.00 2.01 0.00 0.00 34.83 37.17 3bmx s MET 265 CO 0.91 -0.17 -0.04 0.08 -0.01 0.00 0.00 175.02 175.79 3bmx s VAL 266 N -2.45 0.55 -0.03 -6.03 1.01 -0.27 -1.32 120.40 111.87 3bmx s VAL 266 Ca -0.06 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 3bmx s VAL 266 Cb -0.02 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 3bmx s VAL 266 CO -0.04 0.25 0.37 -0.32 0.00 0.00 0.00 175.10 175.37 3bmx s MET 267 N 1.32 3.89 0.75 2.72 1.75 0.52 -0.93 119.30 129.32 3bmx s MET 267 Ca -0.04 0.33 -0.11 0.00 -1.25 0.00 0.00 55.69 54.61 3bmx s MET 267 Cb -0.14 -3.24 0.04 0.00 2.84 0.00 0.00 34.83 34.34 3bmx s MET 267 CO -0.02 0.66 1.08 0.95 -0.65 0.00 0.00 175.02 177.04 3bmx s THR 268 N -0.93 3.48 -0.15 10.11 -4.23 -0.22 -0.25 115.64 123.46 3bmx s THR 268 Ca 0.22 0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 61.18 3bmx s THR 268 Cb -0.16 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 3bmx s THR 268 CO 0.12 -0.63 -0.04 0.00 -0.54 0.00 0.00 174.62 173.53 3bmx s ALA 269 N -3.12 3.00 -1.42 3.99 0.00 0.44 -3.71 121.76 120.94 3bmx s ALA 269 Ca 0.59 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.61 3bmx s ALA 269 Cb -0.14 -1.53 0.07 0.00 0.00 0.00 0.00 23.12 21.51 3bmx s ALA 269 CO 0.54 0.24 2.18 0.72 0.00 0.00 0.00 175.76 179.45 3bmx n HIS 270 N 3.43 3.32 -3.84 0.00 8.25 -1.26 -2.66 115.22 122.46 3bmx n HIS 270 Ca -0.17 -2.94 -0.12 0.00 -0.26 0.00 0.00 57.72 54.23 3bmx n HIS 270 Cb 0.53 -2.40 -0.13 0.00 1.12 0.00 0.00 29.99 29.10 3bmx n HIS 270 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3bmx s VAL 271 N 2.41 -0.00 0.10 1.59 1.01 -1.26 -4.18 120.40 120.07 3bmx s VAL 271 Ca 0.46 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 3bmx s VAL 271 Cb 0.13 -0.11 -0.06 0.00 0.00 0.00 0.00 36.38 36.35 3bmx s VAL 271 CO -0.07 0.01 0.94 -1.10 0.00 0.00 0.00 175.10 174.88 3bmx s GLN 272 N 0.11 4.67 -0.50 2.72 -0.21 0.01 -0.68 119.66 125.79 3bmx s GLN 272 Ca -0.01 1.41 0.04 0.00 0.02 0.00 0.00 55.36 56.82 3bmx s GLN 272 Cb -0.01 -3.38 0.17 0.00 1.00 0.00 0.00 33.01 30.79 3bmx s GLN 272 CO -0.00 0.22 0.38 -0.06 -2.12 0.00 0.00 175.29 173.71 3bmx s PHE 273 N -0.01 1.86 0.58 0.91 0.40 -1.26 -0.93 117.98 119.54 3bmx s PHE 273 Ca 0.46 -2.61 0.28 0.00 -0.60 0.00 0.00 56.93 54.46 3bmx s PHE 273 Cb -0.23 -1.50 1.71 0.00 0.51 0.00 0.00 43.02 43.51 3bmx s PHE 273 CO 0.29 -0.74 2.19 -1.00 0.70 0.00 0.00 175.22 176.66 3bmx h PRO 274 N 5.68 0.00 -0.16 0.24 0.13 -1.71 0.36 132.00 136.54 3bmx h PRO 274 Ca 0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.30 3bmx h PRO 274 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 3bmx h PRO 274 CO 0.48 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 178.16 3bmx h ALA 275 N 1.92 1.56 0.10 -0.56 0.00 -1.85 -3.10 119.26 117.32 3bmx h ALA 275 Ca 0.03 -0.18 -0.34 0.00 0.00 0.00 0.00 54.91 54.43 3bmx h ALA 275 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3bmx h ALA 275 CO -0.00 0.32 -1.83 0.74 0.00 0.00 0.00 179.25 178.48 3bmx h PHE 276 N 0.24 0.37 -1.99 0.00 0.04 -1.33 -3.45 116.94 110.83 3bmx h PHE 276 Ca 0.05 -0.27 -0.14 0.00 2.80 0.00 0.00 57.97 60.41 3bmx h PHE 276 Cb 0.31 -0.01 -0.29 0.00 2.20 0.00 0.00 35.95 38.15 3bmx h PHE 276 CO 0.00 1.51 -0.46 0.34 -0.60 0.00 0.00 178.31 179.10 3bmx s ASP 277 N -6.81 0.16 0.00 2.17 -1.08 -0.44 -4.74 116.67 105.93 3bmx s ASP 277 Ca -0.15 0.34 0.20 0.00 -0.52 0.00 0.00 52.55 52.42 3bmx s ASP 277 Cb 0.07 1.15 0.55 0.00 -1.46 0.00 0.00 42.92 43.23 3bmx s ASP 277 CO 0.80 -0.29 1.46 -0.90 0.52 0.00 0.00 175.17 176.76 3bmx n ASP 278 N 5.37 3.30 -4.68 -0.34 5.68 -1.21 -4.06 116.55 120.60 3bmx n ASP 278 Ca -0.04 -1.99 -0.44 0.00 -0.50 0.00 0.00 54.79 51.82 3bmx n ASP 278 Cb 0.50 -0.39 -0.02 0.00 -1.14 0.00 0.00 41.12 40.07 3bmx n ASP 278 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 3bmx n THR 279 N 1.32 1.23 -4.41 2.12 -1.04 -1.26 -4.88 114.28 107.36 3bmx n THR 279 Ca 0.21 -0.31 -0.26 0.00 -2.04 0.00 0.00 64.05 61.65 3bmx n THR 279 Cb 0.53 -1.55 -0.11 0.00 -1.82 0.00 0.00 70.33 67.39 3bmx n THR 279 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3bmx s THR 280 N -0.32 2.60 0.15 12.58 -4.23 -1.26 -1.30 115.64 123.85 3bmx s THR 280 Ca 0.64 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 59.13 3bmx s THR 280 Cb -0.61 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 3bmx s THR 280 CO 0.53 -0.21 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.98 3bmx s TYR 281 N -1.96 1.30 -0.24 3.99 2.02 -0.30 -4.92 117.35 117.23 3bmx s TYR 281 Ca 0.25 -0.72 -0.28 0.00 -0.37 0.00 0.00 57.07 55.94 3bmx s TYR 281 Cb -0.07 -0.66 0.01 0.00 -0.40 0.00 0.00 41.96 40.84 3bmx s TYR 281 CO 0.13 0.10 1.02 0.15 -1.57 0.00 0.00 175.55 175.38 3bmx s LYS 282 N -3.57 4.22 0.24 -0.62 -0.14 -1.26 -0.39 119.74 118.22 3bmx s LYS 282 Ca 0.16 1.27 -0.30 0.00 -1.36 0.00 0.00 55.97 55.74 3bmx s LYS 282 Cb 0.01 -3.65 -0.09 0.00 -1.68 0.00 0.00 37.83 32.42 3bmx s LYS 282 CO 0.01 -0.66 1.23 0.45 -0.76 0.00 0.00 175.35 175.62 3bmx s SER 283 N 1.28 7.01 0.18 2.83 0.15 0.29 -4.89 113.70 120.55 3bmx s SER 283 Ca 0.43 2.39 0.24 0.00 0.70 0.00 0.00 55.95 59.71 3bmx s SER 283 Cb -0.15 -2.62 0.91 0.00 -1.71 0.00 0.00 66.02 62.45 3bmx s SER 283 CO 0.07 -0.39 1.73 2.29 1.20 0.00 0.00 173.24 178.14 3bmx n LYS 284 N 1.85 0.18 -0.01 5.44 2.85 -0.40 -0.61 118.16 127.46 3bmx n LYS 284 Ca 0.03 0.28 -0.13 0.00 -1.05 0.00 0.00 58.31 57.44 3bmx n LYS 284 Cb 0.44 -1.77 -0.10 0.00 -0.65 0.00 0.00 35.03 32.95 3bmx n LYS 284 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3bmx h LEU 285 N 0.00 -0.04 -0.36 -5.58 5.85 -1.75 -3.42 115.31 110.01 3bmx h LEU 285 Ca 0.00 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3bmx h LEU 285 Cb 0.50 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3bmx h LEU 285 CO 0.00 0.53 0.00 -0.90 -0.34 0.00 0.00 178.44 177.73 3bmx n ASP 286 N -4.84 0.16 0.00 1.25 5.68 -1.23 -5.02 116.55 112.56 3bmx n ASP 286 Ca -0.09 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 3bmx n ASP 286 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 3bmx n ASP 286 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bmx n GLY 287 N -0.01 0.68 3.84 6.12 0.00 0.22 -4.99 105.19 111.04 3bmx n GLY 287 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3bmx n GLY 287 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bmx s SER 288 N -2.42 5.89 -0.14 1.61 1.04 -1.26 -4.43 113.70 113.99 3bmx s SER 288 Ca 0.00 1.58 -0.29 0.00 0.48 0.00 0.00 55.95 57.71 3bmx s SER 288 Cb 0.00 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 3bmx s SER 288 CO 0.00 -1.09 1.29 -1.81 0.98 0.00 0.00 173.24 172.60 3bmx s ASP 289 N -3.66 6.93 -0.02 7.02 1.01 -1.26 -0.55 116.67 126.14 3bmx s ASP 289 Ca 0.58 1.76 0.06 0.00 0.71 0.00 0.00 52.55 55.66 3bmx s ASP 289 Cb -0.13 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 3bmx s ASP 289 CO 0.48 -0.75 -0.21 0.27 0.21 0.00 0.00 175.17 175.17 3bmx s ILE 290 N 3.37 2.52 0.52 0.77 -4.36 0.47 -4.92 121.20 119.58 3bmx s ILE 290 Ca 0.56 -0.98 -0.23 0.00 -0.26 0.00 0.00 60.65 59.74 3bmx s ILE 290 Cb -0.23 -1.95 -0.06 0.00 1.25 0.00 0.00 42.46 41.47 3bmx s ILE 290 CO 0.17 0.55 1.38 -0.76 0.24 0.00 0.00 174.94 176.52 3bmx s LEU 291 N -0.78 3.93 0.21 0.37 1.43 -1.26 -1.15 118.68 121.43 3bmx s LEU 291 Ca 0.11 2.82 -0.31 0.00 -1.03 0.00 0.00 54.13 55.72 3bmx s LEU 291 Cb -0.10 -4.17 -0.10 0.00 0.03 0.00 0.00 46.19 41.85 3bmx s LEU 291 CO 0.00 -1.46 1.46 0.54 0.23 0.00 0.00 176.35 177.12 3bmx s VAL 292 N -1.27 2.76 0.57 -1.59 0.11 -0.42 -4.85 120.40 115.71 3bmx s VAL 292 Ca 0.69 0.60 -0.20 0.00 -2.93 0.00 0.00 61.98 60.14 3bmx s VAL 292 Cb -0.42 -3.38 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 3bmx s VAL 292 CO 0.50 0.08 1.21 -2.84 -3.33 0.00 0.00 175.10 170.72 3bmx s PRO 293 N 0.23 3.09 0.32 1.54 0.02 -1.26 -4.34 135.00 134.61 3bmx s PRO 293 Ca 0.63 1.85 0.01 0.00 0.02 0.00 0.00 61.00 63.50 3bmx s PRO 293 Cb -0.41 -2.02 0.55 0.00 0.02 0.00 0.00 34.50 32.64 3bmx s PRO 293 CO 0.38 -1.11 1.97 0.00 -0.33 0.00 0.00 177.00 177.91 3bmx h ALA 294 N 1.09 1.50 -1.04 -1.55 0.00 -0.91 -0.14 119.26 118.21 3bmx h ALA 294 Ca -0.50 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 54.65 3bmx h ALA 294 Cb 1.29 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3bmx h ALA 294 CO 0.56 0.43 0.72 1.15 0.00 0.00 0.00 179.25 182.11 3bmx h THR 295 N 0.99 0.50 -0.49 0.00 2.02 -1.79 -0.97 112.91 113.17 3bmx h THR 295 Ca 0.30 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.44 3bmx h THR 295 Cb -0.01 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3bmx h THR 295 CO -0.08 0.02 0.00 0.18 0.37 0.00 0.00 175.52 176.01 3bmx n LEU 296 N -4.34 3.74 -4.52 2.58 4.77 -0.08 -4.59 117.00 114.56 3bmx n LEU 296 Ca 0.23 -2.25 -0.41 0.00 -0.03 0.00 0.00 56.01 53.55 3bmx n LEU 296 Cb 1.03 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 3bmx n LEU 296 CO 0.36 0.80 -0.06 -0.55 -1.33 0.00 0.00 177.39 176.60 3bmx s SER 297 N -1.10 6.10 0.28 -1.43 0.15 -0.37 -4.68 113.70 112.65 3bmx s SER 297 Ca 0.38 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.57 3bmx s SER 297 Cb 0.23 -2.16 0.41 0.00 -1.71 0.00 0.00 66.02 62.80 3bmx s SER 297 CO 0.21 -0.31 1.85 0.50 1.20 0.00 0.00 173.24 176.69 3bmx h LYS 298 N 8.51 0.87 -0.77 5.44 3.64 -1.87 -0.97 116.57 131.42 3bmx h LYS 298 Ca -0.30 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 3bmx h LYS 298 Cb 1.15 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 3bmx h LYS 298 CO 0.67 0.74 0.42 0.87 -2.27 0.00 0.00 179.45 179.87 3bmx h LYS 299 N 0.85 1.07 0.03 1.90 1.57 -1.90 0.76 116.57 120.85 3bmx h LYS 299 Ca 0.19 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 3bmx h LYS 299 Cb 0.22 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.34 3bmx h LYS 299 CO -0.01 0.80 -0.58 0.28 -0.57 0.00 0.00 179.45 179.36 3bmx h VAL 300 N 1.06 1.48 0.16 0.50 2.07 -1.81 0.15 116.25 119.87 3bmx h VAL 300 Ca 0.27 -2.18 -0.34 0.00 0.82 0.00 0.00 66.70 65.28 3bmx h VAL 300 Cb 0.04 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 3bmx h VAL 300 CO -0.04 0.62 -1.69 0.24 0.02 0.00 0.00 177.57 176.71 3bmx h MET 301 N -0.25 0.34 0.00 1.57 2.86 -1.15 -0.78 114.93 117.52 3bmx h MET 301 Ca -0.08 -0.58 -0.22 0.00 -2.06 0.00 0.00 59.70 56.76 3bmx h MET 301 Cb 1.34 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 33.18 3bmx h MET 301 CO 0.11 1.23 -1.35 2.41 1.06 0.00 0.00 176.91 180.38 3bmx n THR 302 N -3.53 1.51 0.13 2.22 -1.04 0.17 -1.84 114.28 111.89 3bmx n THR 302 Ca -0.22 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.05 61.62 3bmx n THR 302 Cb 1.07 -2.10 -0.07 0.00 -1.82 0.00 0.00 70.33 67.40 3bmx n THR 302 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3bmx h GLY 303 N -1.00 -0.25 0.00 3.41 0.00 -1.06 -0.97 103.07 103.21 3bmx h GLY 303 Ca -0.33 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3bmx h GLY 303 CO -0.20 -0.09 -0.13 -2.00 0.00 0.00 0.00 176.54 174.12 3bmx h LEU 304 N -0.24 0.00 0.32 3.11 5.85 -0.95 -1.47 115.31 121.93 3bmx h LEU 304 Ca -0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3bmx h LEU 304 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3bmx h LEU 304 CO 0.04 0.44 -0.15 0.25 -0.34 0.00 0.00 178.44 178.68 3bmx h LEU 305 N -0.76 -0.36 0.03 2.25 5.85 -1.22 0.94 115.31 122.04 3bmx h LEU 305 Ca 0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3bmx h LEU 305 Cb 0.13 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3bmx h LEU 305 CO 0.00 0.10 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.10 3bmx h ARG 306 N -0.96 -0.03 0.00 1.25 9.65 -1.34 -2.18 114.38 120.76 3bmx h ARG 306 Ca -0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3bmx h ARG 306 Cb 0.50 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 3bmx h ARG 306 CO 0.07 0.19 -0.07 1.04 2.80 0.00 0.00 179.97 184.00 3bmx n GLN 307 N -5.00 0.06 -0.19 0.20 6.02 -0.37 -3.07 117.38 115.02 3bmx n GLN 307 Ca -0.08 0.27 -0.05 0.00 -0.01 0.00 0.00 57.00 57.13 3bmx n GLN 307 Cb 0.14 -0.86 0.12 0.00 1.02 0.00 0.00 30.24 30.65 3bmx n GLN 307 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3bmx h GLU 308 N -0.13 0.98 0.00 -1.09 4.81 -0.94 -2.37 114.58 115.85 3bmx h GLU 308 Ca 0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3bmx h GLU 308 Cb 0.07 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3bmx h GLU 308 CO 0.00 0.88 -0.40 -1.33 -0.73 0.00 0.00 179.01 177.43 3bmx n MET 309 N -4.24 0.06 -1.91 1.92 2.81 0.30 -4.96 117.12 111.09 3bmx n MET 309 Ca 0.04 0.02 -0.11 0.00 -1.81 0.00 0.00 57.70 55.85 3bmx n MET 309 Cb 0.25 -1.54 -0.02 0.00 -0.71 0.00 0.00 33.22 31.20 3bmx n MET 309 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3bmx n GLY 310 N 1.46 0.34 3.64 3.03 0.00 -0.89 -4.93 105.19 107.85 3bmx n GLY 310 Ca 0.05 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 3bmx n GLY 310 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bmx s PHE 311 N -2.49 3.02 -1.28 1.61 5.36 -0.83 -4.88 117.98 118.49 3bmx s PHE 311 Ca 0.00 1.11 0.13 0.00 -0.96 0.00 0.00 56.93 57.21 3bmx s PHE 311 Cb 0.00 -3.72 0.30 0.00 -0.34 0.00 0.00 43.02 39.26 3bmx s PHE 311 CO 0.00 -1.07 1.21 0.09 -1.46 0.00 0.00 175.22 173.99 3bmx n ASN 312 N 7.02 2.86 -2.22 6.13 5.03 -1.26 -4.35 115.26 128.47 3bmx n ASN 312 Ca 0.13 -1.88 0.00 0.00 0.87 0.00 0.00 54.58 53.69 3bmx n ASN 312 Cb 0.47 -0.21 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 3bmx n ASN 312 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bmx n GLY 313 N 0.74 -0.39 3.66 7.41 0.00 -1.26 -4.94 105.19 110.42 3bmx n GLY 313 Ca 0.12 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 3bmx n GLY 313 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bmx s VAL 314 N -0.09 4.93 -0.21 1.61 1.01 -0.70 -4.93 120.40 122.02 3bmx s VAL 314 Ca 0.00 1.45 -0.15 0.00 0.00 0.00 0.00 61.98 63.28 3bmx s VAL 314 Cb 0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3bmx s VAL 314 CO 0.00 0.05 0.35 -0.63 0.00 0.00 0.00 175.10 174.87 3bmx s ILE 315 N 2.10 5.23 -0.02 2.22 1.01 -1.26 -1.11 121.20 129.37 3bmx s ILE 315 Ca 0.34 0.60 0.07 0.00 0.00 0.00 0.00 60.65 61.67 3bmx s ILE 315 Cb -0.16 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3bmx s ILE 315 CO 0.11 0.27 -0.24 0.54 0.00 0.00 0.00 174.94 175.62 3bmx s VAL 316 N 1.24 1.93 0.56 2.92 0.11 -0.11 -0.49 120.40 126.56 3bmx s VAL 316 Ca 0.17 -1.05 -0.19 0.00 -2.93 0.00 0.00 61.98 57.98 3bmx s VAL 316 Cb -0.14 -1.61 -0.05 0.00 -1.53 0.00 0.00 36.38 33.05 3bmx s VAL 316 CO 0.07 0.55 1.12 0.42 -3.33 0.00 0.00 175.10 173.93 3bmx s THR 317 N -0.55 3.24 1.04 5.04 -4.23 -0.54 -1.06 115.64 118.59 3bmx s THR 317 Ca 0.09 0.74 -0.12 0.00 -1.18 0.00 0.00 61.69 61.22 3bmx s THR 317 Cb -0.10 -3.28 0.22 0.00 1.34 0.00 0.00 72.50 70.68 3bmx s THR 317 CO -0.01 -0.20 1.08 -0.62 -0.54 0.00 0.00 174.62 174.33 3bmx s ASP 318 N -1.93 1.96 0.12 3.99 -1.08 -1.24 -4.29 116.67 114.19 3bmx s ASP 318 Ca 0.71 1.74 -0.33 0.00 -0.52 0.00 0.00 52.55 54.16 3bmx s ASP 318 Cb -0.23 -2.37 -0.12 0.00 -1.46 0.00 0.00 42.92 38.74 3bmx s ASP 318 CO 0.29 -3.63 1.74 0.00 0.52 0.00 0.00 175.17 174.09 3bmx n ALA 319 N -4.55 1.80 1.02 3.66 0.00 -1.26 -4.56 120.51 116.62 3bmx n ALA 319 Ca 0.07 0.37 0.13 0.00 0.00 0.00 0.00 53.44 54.00 3bmx n ALA 319 Cb 0.54 -2.49 0.61 0.00 0.00 0.00 0.00 19.45 18.11 3bmx n ALA 319 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3bmx n LEU 320 N 4.79 0.00 -0.02 0.00 4.77 -0.48 -2.38 117.00 123.68 3bmx n LEU 320 Ca 0.18 0.45 0.14 0.00 -0.03 0.00 0.00 56.01 56.75 3bmx n LEU 320 Cb 0.33 -0.45 0.57 0.00 -2.33 0.00 0.00 43.42 41.54 3bmx n LEU 320 CO 0.66 -0.03 0.87 -0.46 -1.33 0.00 0.00 177.39 177.10 3bmx n ASN 321 N -1.45 0.16 -4.77 -1.43 6.94 -1.24 -4.11 115.26 109.35 3bmx n ASN 321 Ca 0.08 0.12 -0.40 0.00 -0.02 0.00 0.00 54.58 54.36 3bmx n ASN 321 Cb 0.30 -0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 3bmx n ASN 321 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3bmx s MET 322 N -2.86 3.93 0.56 -3.83 -1.94 -1.00 -4.61 119.30 109.55 3bmx s MET 322 Ca 0.18 2.35 0.27 0.00 -1.71 0.00 0.00 55.69 56.78 3bmx s MET 322 Cb 0.19 -2.80 1.63 0.00 2.01 0.00 0.00 34.83 35.87 3bmx s MET 322 CO 0.54 -0.59 2.18 0.87 -0.01 0.00 0.00 175.02 178.01 3bmx h LYS 323 N 2.69 0.00 -0.85 2.03 1.57 -1.53 0.27 116.57 120.74 3bmx h LYS 323 Ca -0.50 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.45 3bmx h LYS 323 Cb 1.25 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.50 3bmx h LYS 323 CO 0.63 0.05 0.56 0.00 -0.57 0.00 0.00 179.45 180.11 3bmx h ALA 324 N 1.95 2.11 0.00 3.86 0.00 -1.54 -1.26 119.26 124.38 3bmx h ALA 324 Ca -0.00 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 3bmx h ALA 324 Cb 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3bmx h ALA 324 CO 0.01 -0.36 -1.45 -0.89 0.00 0.00 0.00 179.25 176.55 3bmx n ILE 325 N -4.51 1.50 0.23 0.00 2.08 -0.47 -4.62 119.36 113.58 3bmx n ILE 325 Ca 0.17 -0.05 0.10 0.00 0.56 0.00 0.00 62.75 63.53 3bmx n ILE 325 Cb 0.60 -2.13 0.56 0.00 -0.75 0.00 0.00 39.64 37.92 3bmx n ILE 325 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3bmx h ALA 326 N -0.87 1.18 0.00 -1.39 0.00 -0.89 -0.73 119.26 116.57 3bmx h ALA 326 Ca -0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3bmx h ALA 326 Cb 1.17 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3bmx h ALA 326 CO -0.19 0.26 -0.11 -0.44 0.00 0.00 0.00 179.25 178.77 3bmx h ASP 327 N 0.00 0.00 0.00 0.00 3.32 -1.46 -3.37 116.42 114.91 3bmx h ASP 327 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3bmx h ASP 327 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 3bmx h ASP 327 CO 0.03 0.11 -1.18 1.41 -1.72 0.00 0.00 179.24 177.89 3bmx n HIS 328 N -3.23 0.00 -4.24 4.55 8.25 -0.48 -2.65 115.22 117.41 3bmx n HIS 328 Ca 0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 3bmx n HIS 328 Cb 0.39 -0.10 -0.13 0.00 1.12 0.00 0.00 29.99 31.27 3bmx n HIS 328 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3bmx s PHE 329 N -2.24 0.91 0.91 4.41 0.08 -0.40 -1.28 117.98 120.36 3bmx s PHE 329 Ca -0.01 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.60 3bmx s PHE 329 Cb 0.02 -0.55 0.14 0.00 -0.57 0.00 0.00 43.02 42.06 3bmx s PHE 329 CO 0.16 -0.01 1.10 0.20 -0.10 0.00 0.00 175.22 176.56 3bmx s GLY 330 N -1.00 1.64 0.03 4.36 0.00 -1.26 -4.52 107.32 106.56 3bmx s GLY 330 Ca -0.01 0.14 -0.25 0.00 0.00 0.00 0.00 44.72 44.60 3bmx s GLY 330 CO 0.01 0.61 1.46 -1.61 0.00 0.00 0.00 173.10 173.56 3bmx h GLN 331 N -1.66 -0.05 -0.36 2.90 4.15 -1.93 0.09 115.11 118.25 3bmx h GLN 331 Ca -0.48 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 58.88 3bmx h GLN 331 Cb 1.27 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 3bmx h GLN 331 CO 0.51 0.23 -0.03 0.93 -1.93 0.00 0.00 178.83 178.54 3bmx h GLU 332 N -0.32 0.65 -0.90 1.69 5.08 -1.92 -3.07 114.58 115.78 3bmx h GLU 332 Ca -0.00 -0.22 0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3bmx h GLU 332 Cb 0.30 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.41 3bmx h GLU 332 CO 0.01 0.78 0.53 1.49 -1.00 0.00 0.00 179.01 180.82 3bmx h GLU 333 N 0.45 0.82 -0.58 2.33 4.81 -1.91 -1.51 114.58 118.99 3bmx h GLU 333 Ca 0.10 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 3bmx h GLU 333 Cb 0.50 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3bmx h GLU 333 CO 0.02 0.55 -0.04 0.00 -0.73 0.00 0.00 179.01 178.81 3bmx h ALA 334 N 1.51 0.79 -0.20 2.92 0.00 -0.88 0.20 119.26 123.59 3bmx h ALA 334 Ca 0.45 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3bmx h ALA 334 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3bmx h ALA 334 CO -0.27 0.66 -0.00 0.28 0.00 0.00 0.00 179.25 179.91 3bmx h VAL 335 N 0.95 1.26 -0.48 0.00 2.07 -1.40 -0.32 116.25 118.32 3bmx h VAL 335 Ca 0.16 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3bmx h VAL 335 Cb 0.60 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3bmx h VAL 335 CO 0.04 0.27 0.22 0.58 0.02 0.00 0.00 177.57 178.70 3bmx h VAL 336 N 0.12 1.19 -0.86 2.57 2.07 -1.14 -1.35 116.25 118.85 3bmx h VAL 336 Ca 0.06 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 3bmx h VAL 336 Cb 0.40 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3bmx h VAL 336 CO 0.01 0.22 0.47 0.24 0.02 0.00 0.00 177.57 178.53 3bmx h MET 337 N 0.63 1.21 -0.34 1.57 2.07 -0.88 0.63 114.93 119.82 3bmx h MET 337 Ca 0.16 -0.14 -0.04 0.00 -2.07 0.00 0.00 59.70 57.61 3bmx h MET 337 Cb 0.13 -0.24 -0.01 0.00 -1.87 0.00 0.00 31.60 29.61 3bmx h MET 337 CO -0.02 0.88 0.04 0.00 1.07 0.00 0.00 176.91 178.88 3bmx h ALA 338 N 1.26 0.45 -0.44 6.32 0.00 -0.56 -0.79 119.26 125.49 3bmx h ALA 338 Ca 0.30 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3bmx h ALA 338 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3bmx h ALA 338 CO -0.05 0.17 0.14 0.28 0.00 0.00 0.00 179.25 179.79 3bmx h VAL 339 N 0.39 1.22 -0.68 0.00 2.07 -1.06 -1.89 116.25 116.31 3bmx h VAL 339 Ca 0.10 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 66.97 3bmx h VAL 339 Cb 0.39 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3bmx h VAL 339 CO 0.01 0.27 0.45 0.11 0.02 0.00 0.00 177.57 178.43 3bmx h LYS 340 N 0.58 0.56 0.00 1.57 1.57 -0.65 -0.23 116.57 119.97 3bmx h LYS 340 Ca 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3bmx h LYS 340 Cb 0.27 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3bmx h LYS 340 CO -0.00 0.37 0.00 0.00 -0.57 0.00 0.00 179.45 179.25 3bmx h ALA 341 N 1.65 1.00 0.00 3.86 0.00 -0.37 -3.45 119.26 121.95 3bmx h ALA 341 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3bmx h ALA 341 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3bmx h ALA 341 CO -0.10 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.56 3bmx n GLY 342 N 0.09 1.23 3.78 0.00 0.00 -0.10 -2.84 105.19 107.36 3bmx n GLY 342 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3bmx n GLY 342 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bmx s VAL 343 N -2.00 3.45 -0.14 1.61 -7.23 -0.89 -4.87 120.40 110.33 3bmx s VAL 343 Ca 0.00 0.81 0.13 0.00 -1.81 0.00 0.00 61.98 61.11 3bmx s VAL 343 Cb 0.00 -3.30 -0.24 0.00 0.56 0.00 0.00 36.38 33.40 3bmx s VAL 343 CO 0.00 -0.29 0.28 0.47 -0.31 0.00 0.00 175.10 175.25 3bmx n ASP 344 N -1.61 0.66 -3.98 4.85 8.00 0.35 -4.55 116.55 120.29 3bmx n ASP 344 Ca 0.10 0.15 -0.24 0.00 0.71 0.00 0.00 54.79 55.52 3bmx n ASP 344 Cb 0.52 0.34 -0.17 0.00 -0.02 0.00 0.00 41.12 41.79 3bmx n ASP 344 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bmx s ILE 345 N -2.54 0.98 -0.44 0.53 1.01 -0.62 -4.51 121.20 115.61 3bmx s ILE 345 Ca -0.11 -0.37 -0.22 0.00 0.00 0.00 0.00 60.65 59.95 3bmx s ILE 345 Cb 0.07 -0.92 0.02 0.00 0.01 0.00 0.00 42.46 41.64 3bmx s ILE 345 CO 0.80 0.32 0.70 0.00 0.00 0.00 0.00 174.94 176.76 3bmx s ALA 346 N 0.83 3.33 -0.11 9.38 0.00 0.35 -1.46 121.76 134.07 3bmx s ALA 346 Ca -0.12 -1.13 -0.24 0.00 0.00 0.00 0.00 51.96 50.48 3bmx s ALA 346 Cb -0.15 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 3bmx s ALA 346 CO 0.02 -1.83 0.73 -1.17 0.00 0.00 0.00 175.76 173.50 3bmx s LEU 347 N 3.00 4.26 -1.09 0.00 2.96 -1.26 -1.50 118.68 125.04 3bmx s LEU 347 Ca 0.25 1.15 -0.17 0.00 -0.22 0.00 0.00 54.13 55.15 3bmx s LEU 347 Cb -0.13 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.43 3bmx s LEU 347 CO 0.20 -0.21 0.81 0.23 -1.32 0.00 0.00 176.35 176.07 3bmx n MET 348 N 4.29 -1.43 0.22 1.98 2.81 0.27 -1.38 117.12 123.86 3bmx n MET 348 Ca 0.00 0.59 0.08 0.00 -1.81 0.00 0.00 57.70 56.56 3bmx n MET 348 Cb 0.51 -4.49 0.48 0.00 -0.71 0.00 0.00 33.22 29.00 3bmx n MET 348 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3bmx h PRO 349 N -1.59 0.00 -2.17 0.03 0.13 -1.80 -3.24 132.00 123.36 3bmx h PRO 349 Ca -0.63 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.44 3bmx h PRO 349 Cb 1.34 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.27 3bmx h PRO 349 CO 0.46 0.27 0.10 0.00 -0.23 0.00 0.00 178.00 178.60 3bmx s ALA 350 N -3.92 -1.60 -0.40 -0.56 0.00 -1.26 -4.87 121.76 109.15 3bmx s ALA 350 Ca -0.01 1.31 -0.15 0.00 0.00 0.00 0.00 51.96 53.11 3bmx s ALA 350 Cb 0.12 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3bmx s ALA 350 CO 0.66 -0.34 0.30 0.45 0.00 0.00 0.00 175.76 176.82 3bmx s SER 351 N -0.84 6.11 -0.27 0.00 0.15 -1.26 -4.77 113.70 112.82 3bmx s SER 351 Ca -0.09 -0.81 -0.02 0.00 0.70 0.00 0.00 55.95 55.74 3bmx s SER 351 Cb -0.02 -2.16 0.03 0.00 -1.71 0.00 0.00 66.02 62.16 3bmx s SER 351 CO 0.07 -0.42 -0.03 -0.69 1.20 0.00 0.00 173.24 173.37 3bmx s VAL 352 N 1.71 2.99 -0.92 4.45 1.01 -1.26 -4.97 120.40 123.41 3bmx s VAL 352 Ca 0.06 -1.09 0.08 0.00 0.00 0.00 0.00 61.98 61.02 3bmx s VAL 352 Cb -0.19 -2.57 0.09 0.00 0.00 0.00 0.00 36.38 33.71 3bmx s VAL 352 CO 0.10 0.11 0.83 0.35 0.00 0.00 0.00 175.10 176.49 3bmx n THR 353 N 4.67 0.18 -3.64 3.92 -2.24 -1.26 -4.92 114.28 111.00 3bmx n THR 353 Ca -0.15 -0.59 -0.10 0.00 -2.27 0.00 0.00 64.05 60.94 3bmx n THR 353 Cb 0.46 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 3bmx n THR 353 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3bmx s SER 354 N -0.72 -0.42 0.54 3.42 1.04 -1.26 -0.31 113.70 115.99 3bmx s SER 354 Ca 0.10 -0.30 0.28 0.00 0.48 0.00 0.00 55.95 56.51 3bmx s SER 354 Cb 0.07 0.66 1.53 0.00 0.10 0.00 0.00 66.02 68.38 3bmx s SER 354 CO 0.10 -1.16 2.11 -0.07 0.98 0.00 0.00 173.24 175.21 3bmx h LEU 355 N 2.00 0.00 -0.51 2.42 3.38 -1.95 -1.52 115.31 119.12 3bmx h LEU 355 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3bmx h LEU 355 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3bmx h LEU 355 CO 0.31 0.09 0.00 0.29 0.09 0.00 0.00 178.44 179.22 3bmx n LYS 356 N -3.71 0.09 -0.10 1.13 5.02 -1.26 -2.25 118.16 117.08 3bmx n LYS 356 Ca -0.02 0.44 0.05 0.00 -2.02 0.00 0.00 58.31 56.76 3bmx n LYS 356 Cb 0.20 -1.71 0.10 0.00 -0.02 0.00 0.00 35.03 33.61 3bmx n LYS 356 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3bmx n GLU 357 N -1.88 1.91 0.27 1.97 1.02 -0.57 -4.74 120.64 118.62 3bmx n GLU 357 Ca 0.01 -1.66 0.13 0.00 -0.02 0.00 0.00 57.16 55.62 3bmx n GLU 357 Cb 0.12 -1.23 0.77 0.00 -0.02 0.00 0.00 31.44 31.08 3bmx n GLU 357 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3bmx h GLU 358 N 1.99 0.00 0.00 3.49 -0.00 -1.51 -1.68 114.58 116.87 3bmx h GLU 358 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3bmx h GLU 358 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.36 3bmx h GLU 358 CO 0.00 0.09 0.00 1.96 -0.00 0.00 0.00 179.01 181.06 3bmx h GLN 359 N 0.00 0.00 -1.00 1.06 1.08 -1.85 -1.77 115.11 112.63 3bmx h GLN 359 Ca -0.00 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 3bmx h GLN 359 Cb 0.26 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.62 3bmx h GLN 359 CO 0.01 0.00 0.64 0.87 -0.95 0.00 0.00 178.83 179.40 3bmx h LYS 360 N 0.00 1.07 -0.33 1.46 1.57 -1.69 0.23 116.57 118.88 3bmx h LYS 360 Ca 0.00 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 3bmx h LYS 360 Cb 0.08 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3bmx h LYS 360 CO 0.00 0.71 -0.12 0.74 -0.57 0.00 0.00 179.45 180.21 3bmx h PHE 361 N 1.11 0.75 -0.88 -1.35 0.04 -1.55 -2.39 116.94 112.67 3bmx h PHE 361 Ca 0.45 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 61.06 3bmx h PHE 361 Cb 0.28 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 3bmx h PHE 361 CO -0.00 0.86 0.59 0.00 -0.60 0.00 0.00 178.31 179.15 3bmx h ALA 362 N 0.78 1.37 -0.28 2.45 0.00 -1.43 -1.29 119.26 120.87 3bmx h ALA 362 Ca 0.08 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3bmx h ALA 362 Cb 0.64 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3bmx h ALA 362 CO 0.04 0.58 -0.30 0.00 0.00 0.00 0.00 179.25 179.57 3bmx h ARG 363 N 1.19 0.59 -0.39 0.00 3.08 -0.86 -0.04 114.38 117.95 3bmx h ARG 363 Ca 0.32 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3bmx h ARG 363 Cb -0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3bmx h ARG 363 CO -0.07 0.82 0.00 0.28 -1.07 0.00 0.00 179.97 179.93 3bmx h VAL 364 N 0.50 1.26 -0.55 2.04 2.07 -0.94 -1.52 116.25 119.11 3bmx h VAL 364 Ca 0.06 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 3bmx h VAL 364 Cb 0.78 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3bmx h VAL 364 CO 0.06 0.33 0.14 0.40 0.02 0.00 0.00 177.57 178.53 3bmx h ILE 365 N 0.51 1.24 -0.71 4.57 1.08 -0.98 -2.02 117.51 121.19 3bmx h ILE 365 Ca 0.11 -0.86 -0.06 0.00 -0.39 0.00 0.00 64.86 63.66 3bmx h ILE 365 Cb 0.46 0.76 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 3bmx h ILE 365 CO 0.02 0.32 0.22 -0.61 -0.69 0.00 0.00 178.15 177.40 3bmx h GLN 366 N 0.77 1.11 -0.74 2.37 5.75 -0.93 -0.31 115.11 123.13 3bmx h GLN 366 Ca 0.17 -0.24 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 3bmx h GLN 366 Cb 0.33 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 3bmx h GLN 366 CO 0.00 0.96 0.35 0.00 -2.65 0.00 0.00 178.83 177.49 3bmx h ALA 367 N 1.10 0.96 -0.57 3.38 0.00 -0.96 0.04 119.26 123.21 3bmx h ALA 367 Ca 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3bmx h ALA 367 Cb 0.31 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3bmx h ALA 367 CO -0.01 0.53 0.22 -0.07 0.00 0.00 0.00 179.25 179.92 3bmx h LEU 368 N 1.04 0.79 -1.03 0.00 3.38 -1.06 -2.41 115.31 116.03 3bmx h LEU 368 Ca 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3bmx h LEU 368 Cb 0.13 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3bmx h LEU 368 CO -0.03 0.75 0.45 0.11 0.09 0.00 0.00 178.44 179.81 3bmx h LYS 369 N 0.78 1.13 -0.41 1.13 1.57 -0.38 -0.30 116.57 120.09 3bmx h LYS 369 Ca 0.19 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 3bmx h LYS 369 Cb 0.22 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3bmx h LYS 369 CO -0.01 0.82 -0.15 0.93 -0.57 0.00 0.00 179.45 180.47 3bmx h GLU 370 N 1.13 0.75 -0.19 3.15 4.39 -0.87 0.15 114.58 123.10 3bmx h GLU 370 Ca 0.29 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 3bmx h GLU 370 Cb 0.02 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3bmx h GLU 370 CO -0.05 0.86 -0.32 0.00 -1.16 0.00 0.00 179.01 178.35 3bmx h ALA 371 N 1.16 1.11 -0.03 3.43 0.00 -0.79 -2.22 119.26 121.92 3bmx h ALA 371 Ca 0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3bmx h ALA 371 Cb 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3bmx h ALA 371 CO 0.04 0.56 -0.11 0.28 0.00 0.00 0.00 179.25 180.02 3bmx h VAL 372 N 0.33 1.47 -0.78 0.00 2.07 -0.59 0.16 116.25 118.92 3bmx h VAL 372 Ca 0.04 -1.56 0.07 0.00 0.82 0.00 0.00 66.70 66.07 3bmx h VAL 372 Cb 0.72 2.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.87 3bmx h VAL 372 CO 0.06 0.42 0.51 0.50 0.02 0.00 0.00 177.57 179.08 3bmx h LYS 373 N -0.44 0.78 -0.01 1.57 3.64 -0.66 -1.03 116.57 120.42 3bmx h LYS 373 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3bmx h LYS 373 Cb 0.75 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3bmx h LYS 373 CO 0.02 0.51 -0.34 -1.71 -2.27 0.00 0.00 179.45 175.67 3bmx n ASN 374 N -4.49 1.44 0.00 4.20 5.15 -0.84 -4.96 115.26 115.76 3bmx n ASN 374 Ca 0.12 -1.15 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 3bmx n ASN 374 Cb 0.25 0.27 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 3bmx n ASN 374 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3bmx n GLY 375 N 1.37 0.69 0.25 8.20 0.00 -0.39 -4.92 105.19 110.38 3bmx n GLY 375 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 3bmx n GLY 375 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bmx h ASP 376 N 0.00 0.20 -3.68 1.61 3.32 -1.00 -3.27 116.42 113.60 3bmx h ASP 376 Ca 0.00 -0.03 -0.65 0.00 0.02 0.00 0.00 57.03 56.37 3bmx h ASP 376 Cb 0.00 -0.05 -0.39 0.00 0.22 0.00 0.00 39.33 39.11 3bmx h ASP 376 CO 0.00 0.31 -0.75 -0.63 -1.72 0.00 0.00 179.24 176.45 3bmx s ILE 377 N -4.84 2.04 0.37 0.35 1.01 -0.25 -4.97 121.20 114.91 3bmx s ILE 377 Ca -0.06 -1.96 -0.27 0.00 0.00 0.00 0.00 60.65 58.36 3bmx s ILE 377 Cb 0.16 -2.39 -0.11 0.00 0.01 0.00 0.00 42.46 40.12 3bmx s ILE 377 CO 0.72 -0.41 1.33 -2.65 0.00 0.00 0.00 174.94 173.94 3bmx n PRO 378 N 4.40 2.21 0.20 2.79 -0.02 -1.24 -4.00 135.00 139.33 3bmx n PRO 378 Ca -0.03 0.78 0.06 0.00 -2.02 0.00 0.00 63.50 62.29 3bmx n PRO 378 Cb 0.42 -2.42 0.54 0.00 -0.02 0.00 0.00 33.50 32.02 3bmx n PRO 378 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3bmx h GLU 379 N 2.52 0.10 -0.30 -0.52 4.81 -1.93 -0.48 114.58 118.79 3bmx h GLU 379 Ca -0.48 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 3bmx h GLU 379 Cb 1.28 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 3bmx h GLU 379 CO 0.62 0.15 0.20 0.37 -0.73 0.00 0.00 179.01 179.62 3bmx h GLN 380 N 0.10 0.35 -0.37 1.92 5.75 -1.99 0.29 115.11 121.16 3bmx h GLN 380 Ca 0.02 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3bmx h GLN 380 Cb 0.14 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 3bmx h GLN 380 CO 0.01 0.23 0.10 0.37 -2.65 0.00 0.00 178.83 176.89 3bmx h GLN 381 N 0.36 0.59 -0.21 1.69 4.15 -1.43 -0.00 115.11 120.26 3bmx h GLN 381 Ca 0.11 -0.14 0.04 0.00 0.77 0.00 0.00 58.65 59.44 3bmx h GLN 381 Cb 0.02 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 3bmx h GLN 381 CO -0.02 0.62 -0.05 0.82 -1.93 0.00 0.00 178.83 178.27 3bmx h ILE 382 N 0.45 0.80 -0.39 2.39 1.08 -1.19 -0.89 117.51 119.76 3bmx h ILE 382 Ca 0.12 -0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.62 3bmx h ILE 382 Cb 0.29 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 3bmx h ILE 382 CO -0.00 0.00 0.18 0.78 -0.69 0.00 0.00 178.15 178.43 3bmx h ASN 383 N 0.01 0.26 -0.73 1.72 2.35 -0.68 -0.73 115.58 117.78 3bmx h ASN 383 Ca 0.10 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3bmx h ASN 383 Cb 0.15 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 3bmx h ASN 383 CO -0.21 0.19 0.44 0.78 -1.65 0.00 0.00 177.43 176.99 3bmx h ASN 384 N 0.38 0.88 -0.38 5.81 2.35 -0.79 -0.24 115.58 123.58 3bmx h ASN 384 Ca 0.17 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3bmx h ASN 384 Cb 0.09 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3bmx h ASN 384 CO -0.13 0.68 0.22 0.28 -1.65 0.00 0.00 177.43 176.83 3bmx h SER 385 N 1.00 0.47 -0.05 5.81 0.02 -0.56 -1.78 113.55 118.46 3bmx h SER 385 Ca 0.26 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 3bmx h SER 385 Cb -0.04 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3bmx h SER 385 CO -0.05 0.41 -0.20 0.58 -1.14 0.00 0.00 176.83 176.43 3bmx h VAL 386 N 0.50 1.25 -0.50 2.27 2.07 -0.94 -1.71 116.25 119.18 3bmx h VAL 386 Ca 0.14 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 3bmx h VAL 386 Cb 0.04 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3bmx h VAL 386 CO -0.02 0.36 0.14 -0.33 0.02 0.00 0.00 177.57 177.73 3bmx h GLU 387 N 0.39 0.74 -0.46 1.57 5.08 -0.75 0.60 114.58 121.76 3bmx h GLU 387 Ca 0.06 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 3bmx h GLU 387 Cb 0.58 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3bmx h GLU 387 CO 0.04 0.66 -0.15 0.00 -1.00 0.00 0.00 179.01 178.56 3bmx h ARG 388 N 0.73 0.88 -0.07 2.33 3.08 -0.47 0.22 114.38 121.07 3bmx h ARG 388 Ca 0.17 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3bmx h ARG 388 Cb 0.25 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3bmx h ARG 388 CO -0.01 0.97 -0.00 0.82 -1.07 0.00 0.00 179.97 180.68 3bmx h ILE 389 N 0.78 1.26 -0.66 2.04 2.04 -0.74 -1.68 117.51 120.55 3bmx h ILE 389 Ca 0.12 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 3bmx h ILE 389 Cb 0.68 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 3bmx h ILE 389 CO 0.05 0.23 0.24 0.40 0.00 0.00 0.00 178.15 179.07 3bmx h ILE 390 N -0.16 1.24 -0.74 -0.67 1.08 -0.85 -1.28 117.51 116.14 3bmx h ILE 390 Ca 0.02 -0.79 0.05 0.00 -0.39 0.00 0.00 64.86 63.76 3bmx h ILE 390 Cb 0.36 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 34.58 3bmx h ILE 390 CO 0.00 0.31 0.44 -1.28 -0.69 0.00 0.00 178.15 176.93 3bmx h SER 391 N 0.94 0.68 -0.48 1.72 0.87 -0.87 -0.31 113.55 116.10 3bmx h SER 391 Ca 0.22 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 3bmx h SER 391 Cb 0.24 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3bmx h SER 391 CO -0.01 0.45 0.03 0.25 -0.53 0.00 0.00 176.83 177.01 3bmx h LEU 392 N 0.82 0.81 -1.16 2.23 5.85 -0.85 0.11 115.31 123.12 3bmx h LEU 392 Ca 0.32 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3bmx h LEU 392 Cb 0.15 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3bmx h LEU 392 CO -0.16 0.90 0.57 0.11 -0.34 0.00 0.00 178.44 179.52 3bmx h LYS 393 N 0.69 1.08 -0.10 1.25 1.57 -0.71 -1.04 116.57 119.31 3bmx h LYS 393 Ca 0.14 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3bmx h LYS 393 Cb 0.47 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3bmx h LYS 393 CO 0.02 0.71 -0.07 0.82 -0.57 0.00 0.00 179.45 180.37 3bmx h ILE 394 N 1.11 1.34 -0.76 1.86 2.04 -0.75 0.62 117.51 122.96 3bmx h ILE 394 Ca 0.34 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 65.09 3bmx h ILE 394 Cb -0.01 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3bmx h ILE 394 CO -0.10 0.32 0.48 0.50 0.00 0.00 0.00 178.15 179.35 3bmx h LYS 395 N -0.16 0.89 -0.52 2.37 3.64 -0.36 -1.74 116.57 120.69 3bmx h LYS 395 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3bmx h LYS 395 Cb 0.55 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3bmx h LYS 395 CO 0.02 0.59 0.00 0.54 -2.27 0.00 0.00 179.45 178.33 3bmx n ARG 396 N -4.64 2.29 -1.76 1.90 5.12 -0.43 -4.92 116.66 114.22 3bmx n ARG 396 Ca 0.09 -1.83 -0.06 0.00 -1.93 0.00 0.00 57.85 54.12 3bmx n ARG 396 Cb 0.11 -1.45 -0.01 0.00 -1.16 0.00 0.00 32.46 29.95 3bmx n ARG 396 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bmx n GLY 397 N 1.22 0.39 0.11 -0.13 0.00 -0.65 -4.80 105.19 101.33 3bmx n GLY 397 Ca 0.17 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.51 3bmx n GLY 397 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3bmx h MET 398 N 0.00 0.00 -2.53 1.61 2.86 -1.11 -3.40 114.93 112.36 3bmx h MET 398 Ca -0.14 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.28 3bmx h MET 398 Cb 0.84 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 32.17 3bmx h MET 398 CO 0.17 0.38 -0.53 -0.47 1.06 0.00 0.00 176.91 177.52 3bmx s TYR 399 N -2.95 -0.50 0.78 -0.22 5.04 -0.95 -3.39 117.35 115.16 3bmx s TYR 399 Ca -0.00 0.76 -0.13 0.00 -2.44 0.00 0.00 57.07 55.26 3bmx s TYR 399 Cb 0.08 -0.09 0.07 0.00 0.35 0.00 0.00 41.96 42.36 3bmx s TYR 399 CO 0.79 -0.52 1.16 -2.14 -1.34 0.00 0.00 175.55 173.50 3bmx s PRO 400 N 2.44 1.94 0.45 4.97 0.02 -1.26 -4.03 135.00 139.52 3bmx s PRO 400 Ca 0.05 1.58 -0.25 0.00 0.02 0.00 0.00 61.00 62.40 3bmx s PRO 400 Cb -0.14 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 3bmx s PRO 400 CO -0.11 -1.95 1.35 0.00 -0.33 0.00 0.00 177.00 175.95 3bmx s ALA 401 N -2.33 3.17 -0.03 -1.55 0.00 -1.22 -4.93 121.76 114.87 3bmx s ALA 401 Ca 0.70 1.32 0.09 0.00 0.00 0.00 0.00 51.96 54.07 3bmx s ALA 401 Cb -0.25 -3.53 -0.14 0.00 0.00 0.00 0.00 23.12 19.20 3bmx s ALA 401 CO 0.50 -1.04 0.18 0.54 0.00 0.00 0.00 175.76 175.93 3bmx n ARG 402 N -0.21 0.74 -3.20 0.00 1.74 -1.26 -4.97 116.66 109.50 3bmx n ARG 402 Ca 0.05 -0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.65 3bmx n ARG 402 Cb 0.43 -1.23 -0.07 0.00 -1.02 0.00 0.00 32.46 30.57 3bmx n ARG 402 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3bmx s ASN 403 N -3.31 6.35 0.00 0.55 3.84 -1.26 -4.91 114.94 116.20 3bmx s ASN 403 Ca -0.04 -0.00 0.23 0.00 0.21 0.00 0.00 52.86 53.26 3bmx s ASN 403 Cb 0.05 -2.29 0.34 0.00 -0.55 0.00 0.00 41.25 38.80 3bmx s ASN 403 CO 0.39 -0.53 1.34 -1.54 -2.79 0.00 0.00 177.10 173.98 3bmx n SER 404 N 5.84 3.30 -4.75 -4.21 3.41 -1.26 -4.97 113.62 110.98 3bmx n SER 404 Ca -0.04 -1.99 -0.37 0.00 -0.26 0.00 0.00 58.87 56.21 3bmx n SER 404 Cb 0.49 -0.16 0.04 0.00 -0.26 0.00 0.00 64.21 64.32 3bmx n SER 404 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3bmx s ASP 405 N -1.67 5.23 0.86 4.04 1.11 -1.26 -5.00 116.67 119.98 3bmx s ASP 405 Ca 0.35 2.60 -0.11 0.00 0.18 0.00 0.00 52.55 55.56 3bmx s ASP 405 Cb 0.22 -2.62 0.11 0.00 1.07 0.00 0.00 42.92 41.70 3bmx s ASP 405 CO 0.31 -1.58 1.11 -0.94 1.18 0.00 0.00 175.17 175.24 3bmx s SER 406 N -1.24 3.61 0.23 0.27 1.04 -1.26 -4.80 113.70 111.55 3bmx s SER 406 Ca 0.74 1.87 -0.07 0.00 0.48 0.00 0.00 55.95 58.97 3bmx s SER 406 Cb -0.36 -2.46 0.31 0.00 0.10 0.00 0.00 66.02 63.61 3bmx s SER 406 CO 0.41 -2.61 1.83 0.74 0.98 0.00 0.00 173.24 174.59 3bmx h THR 407 N -1.53 1.00 -0.72 2.02 2.02 -1.98 -0.72 112.91 113.00 3bmx h THR 407 Ca -0.45 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.46 3bmx h THR 407 Cb 1.26 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3bmx h THR 407 CO 0.49 0.16 0.46 0.11 0.37 0.00 0.00 175.52 177.10 3bmx h LYS 408 N 0.85 0.88 -0.63 6.66 1.57 -1.99 -0.31 116.57 123.60 3bmx h LYS 408 Ca 0.35 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 59.02 3bmx h LYS 408 Cb 0.20 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3bmx h LYS 408 CO -0.19 0.58 0.16 0.93 -0.57 0.00 0.00 179.45 180.37 3bmx h GLU 409 N 0.91 1.00 -0.83 3.15 5.08 -1.67 -1.76 114.58 120.46 3bmx h GLU 409 Ca 0.28 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3bmx h GLU 409 Cb -0.01 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 3bmx h GLU 409 CO -0.10 0.90 0.39 0.87 -1.00 0.00 0.00 179.01 180.08 3bmx h LYS 410 N 0.92 1.19 -0.23 2.33 1.57 -0.66 -2.17 116.57 119.52 3bmx h LYS 410 Ca 0.20 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3bmx h LYS 410 Cb 0.34 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3bmx h LYS 410 CO 0.00 0.92 0.06 0.82 -0.57 0.00 0.00 179.45 180.67 3bmx h ILE 411 N 1.18 1.21 -0.82 1.86 2.04 -0.69 -0.14 117.51 122.14 3bmx h ILE 411 Ca 0.28 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3bmx h ILE 411 Cb 0.12 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3bmx h ILE 411 CO -0.04 0.21 0.40 0.00 0.00 0.00 0.00 178.15 178.73 3bmx h ALA 412 N 0.87 1.15 -0.32 1.87 0.00 -1.19 -1.20 119.26 120.44 3bmx h ALA 412 Ca 0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3bmx h ALA 412 Cb 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3bmx h ALA 412 CO 0.00 0.65 -0.04 0.87 0.00 0.00 0.00 179.25 180.73 3bmx h LYS 413 N 1.17 0.59 -0.33 0.00 1.57 -1.22 -3.08 116.57 115.27 3bmx h LYS 413 Ca 0.28 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3bmx h LYS 413 Cb 0.11 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3bmx h LYS 413 CO -0.04 0.75 -0.02 0.00 -0.57 0.00 0.00 179.45 179.58 3bmx h ALA 414 N 0.82 1.36 0.00 3.86 0.00 -0.64 -2.35 119.26 122.31 3bmx h ALA 414 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3bmx h ALA 414 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3bmx h ALA 414 CO 0.02 0.44 0.00 0.87 0.00 0.00 0.00 179.25 180.59 3bmx h LYS 415 N 0.50 0.00 0.00 0.00 1.57 -1.14 0.20 116.57 117.70 3bmx h LYS 415 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3bmx h LYS 415 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3bmx h LYS 415 CO 0.01 0.00 -0.59 1.63 -0.57 0.00 0.00 179.45 179.93 3bmx n LYS 416 N -3.08 0.17 -0.11 3.15 5.02 -0.90 -4.52 118.16 117.89 3bmx n LYS 416 Ca -0.00 0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 3bmx n LYS 416 Cb 0.24 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.57 3bmx n LYS 416 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3bmx n ILE 417 N -1.84 1.19 -2.45 -0.18 5.41 -0.65 -4.61 119.36 116.23 3bmx n ILE 417 Ca 0.04 -0.32 -0.43 0.00 1.00 0.00 0.00 62.75 63.04 3bmx n ILE 417 Cb 0.39 -1.72 -0.02 0.00 -0.71 0.00 0.00 39.64 37.59 3bmx n ILE 417 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3bmx s VAL 418 N -2.40 4.32 -1.33 1.39 1.01 -0.03 -2.40 120.40 120.96 3bmx s VAL 418 Ca -0.30 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3bmx s VAL 418 Cb 0.11 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3bmx s VAL 418 CO 0.40 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.94 3bmx n GLY 419 N 3.63 0.30 3.69 4.51 0.00 -1.21 -4.80 105.19 111.31 3bmx n GLY 419 Ca 0.14 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 3bmx n GLY 419 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bmx s SER 420 N -2.50 3.34 0.37 1.61 1.04 -1.01 -4.76 113.70 111.80 3bmx s SER 420 Ca 0.00 2.24 0.08 0.00 0.48 0.00 0.00 55.95 58.75 3bmx s SER 420 Cb 0.00 -2.57 0.73 0.00 0.10 0.00 0.00 66.02 64.28 3bmx s SER 420 CO 0.00 -2.83 1.91 0.11 0.98 0.00 0.00 173.24 173.41 3bmx h LYS 421 N -1.37 0.34 -0.60 4.02 1.79 -1.92 -0.53 116.57 118.30 3bmx h LYS 421 Ca -0.44 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 57.90 3bmx h LYS 421 Cb 1.28 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.85 3bmx h LYS 421 CO 0.44 0.43 0.15 0.37 -1.08 0.00 0.00 179.45 179.77 3bmx h GLN 422 N 0.32 0.95 -0.68 3.15 4.15 -1.96 -0.48 115.11 120.56 3bmx h GLN 422 Ca 0.07 -0.22 -0.05 0.00 0.77 0.00 0.00 58.65 59.21 3bmx h GLN 422 Cb 0.34 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 3bmx h GLN 422 CO 0.02 0.87 0.22 0.45 -1.93 0.00 0.00 178.83 178.46 3bmx h HIS 423 N 0.86 1.06 -0.60 3.99 3.86 -1.69 -2.11 115.15 120.53 3bmx h HIS 423 Ca 0.19 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 3bmx h HIS 423 Cb 0.34 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 3bmx h HIS 423 CO 0.02 0.84 0.11 -0.07 0.86 0.00 0.00 177.93 179.69 3bmx h LEU 424 N 1.00 0.91 -0.89 2.43 3.38 -0.67 -0.52 115.31 120.96 3bmx h LEU 424 Ca 0.22 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3bmx h LEU 424 Cb 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3bmx h LEU 424 CO -0.01 0.91 0.19 0.11 0.09 0.00 0.00 178.44 179.73 3bmx h LYS 425 N 0.91 1.01 -0.44 1.13 1.57 -0.75 -0.82 116.57 119.18 3bmx h LYS 425 Ca 0.19 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 3bmx h LYS 425 Cb 0.38 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3bmx h LYS 425 CO 0.01 0.87 0.01 0.00 -0.57 0.00 0.00 179.45 179.77 3bmx h ALA 426 N 1.23 0.59 -0.56 3.86 0.00 -0.77 -2.02 119.26 121.58 3bmx h ALA 426 Ca 0.21 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3bmx h ALA 426 Cb 0.29 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3bmx h ALA 426 CO -0.01 0.36 0.31 1.49 0.00 0.00 0.00 179.25 181.41 3bmx h GLU 427 N 0.60 0.58 -0.36 0.00 4.81 -0.82 -1.49 114.58 117.91 3bmx h GLU 427 Ca 0.13 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3bmx h GLU 427 Cb 0.47 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3bmx h GLU 427 CO 0.02 0.39 0.09 -0.22 -0.73 0.00 0.00 179.01 178.55 3bmx h LYS 428 N 0.60 0.57 -0.64 1.92 3.64 -0.94 -0.11 116.57 121.62 3bmx h LYS 428 Ca 0.24 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3bmx h LYS 428 Cb 0.10 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3bmx h LYS 428 CO -0.14 0.62 0.38 0.87 -2.27 0.00 0.00 179.45 178.91 3bmx h LYS 429 N 0.43 0.86 -0.26 1.90 1.57 -1.16 -0.57 116.57 119.33 3bmx h LYS 429 Ca 0.11 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 3bmx h LYS 429 Cb 0.30 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3bmx h LYS 429 CO 0.00 0.62 -0.22 1.25 -0.57 0.00 0.00 179.45 180.52 3bmx h LEU 430 N 0.86 0.65 -0.82 2.94 5.85 -1.01 -1.54 115.31 122.24 3bmx h LEU 430 Ca 0.23 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3bmx h LEU 430 Cb -0.03 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3bmx h LEU 430 CO -0.04 0.97 0.49 0.00 -0.34 0.00 0.00 178.44 179.52 3bmx h ALA 431 N 0.70 1.05 -0.51 1.25 0.00 -0.80 -1.70 119.26 119.26 3bmx h ALA 431 Ca 0.05 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3bmx h ALA 431 Cb 0.77 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3bmx h ALA 431 CO 0.06 0.52 -0.05 0.93 0.00 0.00 0.00 179.25 180.71 3bmx h GLU 432 N 1.13 0.93 -0.97 0.00 5.08 -1.04 -2.95 114.58 116.76 3bmx h GLU 432 Ca 0.29 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3bmx h GLU 432 Cb -0.03 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 3bmx h GLU 432 CO -0.05 0.98 0.64 -0.22 -1.00 0.00 0.00 179.01 179.35 3bmx h LYS 433 N 0.79 1.23 0.00 2.33 3.64 -0.94 -3.03 116.57 120.60 3bmx h LYS 433 Ca 0.14 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3bmx h LYS 433 Cb 0.59 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3bmx h LYS 433 CO 0.04 0.82 -0.21 0.00 -2.27 0.00 0.00 179.45 177.83 3bmx h ALA 434 N 1.37 1.02 -2.00 5.00 0.00 -1.16 -0.24 119.26 123.26 3bmx h ALA 434 Ca 0.37 -0.19 -0.62 0.00 0.00 0.00 0.00 54.91 54.47 3bmx h ALA 434 Cb -0.09 -0.03 0.07 0.00 0.00 0.00 0.00 17.79 17.74 3bmx h ALA 434 CO -0.10 0.26 0.51 0.28 0.00 0.00 0.00 179.25 180.20 3bmx n VAL 435 N -3.37 0.52 -4.05 0.00 0.31 -1.13 -4.18 118.33 106.42 3bmx n VAL 435 Ca 0.00 -0.13 -0.34 0.00 -0.01 0.00 0.00 64.34 63.87 3bmx n VAL 435 Cb 0.42 -1.15 -0.15 0.00 -0.91 0.00 0.00 33.84 32.05 3bmx n VAL 435 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3bmx s THR 436 N 0.23 2.45 -0.23 2.52 2.01 -0.46 -1.49 115.64 120.66 3bmx s THR 436 Ca 0.76 -0.87 -0.19 0.00 0.31 0.00 0.00 61.69 61.69 3bmx s THR 436 Cb -0.79 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 3bmx s THR 436 CO 0.47 0.46 0.57 -0.69 -0.69 0.00 0.00 174.62 174.74 3bmx s VAL 437 N 1.33 5.04 -0.10 3.82 1.01 -1.26 -0.70 120.40 129.54 3bmx s VAL 437 Ca 0.04 1.03 0.17 0.00 0.00 0.00 0.00 61.98 63.22 3bmx s VAL 437 Cb -0.14 -3.88 -0.25 0.00 0.00 0.00 0.00 36.38 32.11 3bmx s VAL 437 CO -0.10 0.09 0.23 0.18 0.00 0.00 0.00 175.10 175.51 3bmx n LEU 438 N 5.34 0.00 -3.65 3.92 4.77 -0.25 -0.52 117.00 126.61 3bmx n LEU 438 Ca -0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 3bmx n LEU 438 Cb 0.50 0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.72 3bmx n LEU 438 CO 0.42 0.21 0.34 -0.75 -1.33 0.00 0.00 177.39 176.28 3bmx s LYS 439 N -2.85 0.73 -0.46 3.23 2.20 -1.03 -4.90 119.74 116.66 3bmx s LYS 439 Ca -0.08 1.00 0.06 0.00 -0.36 0.00 0.00 55.97 56.59 3bmx s LYS 439 Cb 0.08 0.29 0.18 0.00 -1.51 0.00 0.00 37.83 36.87 3bmx s LYS 439 CO 0.74 -0.11 0.57 1.21 -0.36 0.00 0.00 175.35 177.39 3bmx s ASN 440 N 0.77 -0.31 0.14 1.43 2.47 -1.19 -0.81 114.94 117.44 3bmx s ASN 440 Ca -0.03 -2.05 -0.22 0.00 0.42 0.00 0.00 52.86 50.97 3bmx s ASN 440 Cb -0.05 1.05 -0.07 0.00 -1.45 0.00 0.00 41.25 40.73 3bmx s ASN 440 CO -0.06 -0.12 0.68 -1.61 -3.72 0.00 0.00 177.10 172.28 3bmx s GLU 441 N 0.76 4.38 -1.45 0.43 2.02 0.40 -4.10 118.70 121.14 3bmx s GLU 441 Ca 0.28 0.95 -0.10 0.00 0.02 0.00 0.00 54.97 56.13 3bmx s GLU 441 Cb -0.01 -3.20 0.06 0.00 0.10 0.00 0.00 34.13 31.07 3bmx s GLU 441 CO -0.09 0.58 0.72 1.04 0.02 0.00 0.00 175.26 177.53 3bmx n GLN 442 N 1.53 -4.75 -4.02 1.61 6.02 -1.26 -1.79 117.38 114.70 3bmx n GLN 442 Ca -0.07 0.65 -0.31 0.00 -0.01 0.00 0.00 57.00 57.26 3bmx n GLN 442 Cb 0.50 -5.48 0.00 0.00 1.02 0.00 0.00 30.24 26.28 3bmx n GLN 442 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3bmx n HIS 443 N -4.40 -1.97 -0.25 1.08 8.25 -1.26 -4.83 115.22 111.84 3bmx n HIS 443 Ca -0.02 0.84 -0.02 0.00 -0.26 0.00 0.00 57.72 58.26 3bmx n HIS 443 Cb 0.56 -3.59 0.09 0.00 1.12 0.00 0.00 29.99 28.17 3bmx n HIS 443 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3bmx h THR 444 N -1.82 1.07 -3.02 1.59 2.02 -1.62 -3.40 112.91 107.73 3bmx h THR 444 Ca -0.59 -0.29 -0.65 0.00 0.77 0.00 0.00 66.41 65.64 3bmx h THR 444 Cb 1.38 0.15 -0.09 0.00 -1.74 0.00 0.00 68.15 67.85 3bmx h THR 444 CO 0.70 0.15 -0.55 -0.76 0.37 0.00 0.00 175.52 175.43 3bmx s LEU 445 N -10.20 4.02 0.49 2.58 1.43 -1.26 -3.79 118.68 111.95 3bmx s LEU 445 Ca -0.13 0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.99 3bmx s LEU 445 Cb 0.16 -2.34 -0.09 0.00 0.03 0.00 0.00 46.19 43.96 3bmx s LEU 445 CO 0.77 0.28 0.99 -2.16 0.23 0.00 0.00 176.35 176.46 3bmx s PRO 446 N -1.74 3.95 0.19 1.29 0.04 -1.26 -4.89 135.00 132.57 3bmx s PRO 446 Ca 0.23 1.11 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 3bmx s PRO 446 Cb -0.12 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 3bmx s PRO 446 CO 0.14 -0.28 1.45 -0.06 0.04 0.00 0.00 177.00 178.30 3bmx s PHE 447 N -2.34 3.10 -0.56 0.56 0.08 0.41 -4.96 117.98 114.28 3bmx s PHE 447 Ca 0.62 0.91 0.06 0.00 0.12 0.00 0.00 56.93 58.64 3bmx s PHE 447 Cb -0.11 -3.80 0.21 0.00 -0.57 0.00 0.00 43.02 38.74 3bmx s PHE 447 CO 0.24 -2.75 0.54 1.63 -0.10 0.00 0.00 175.22 174.78 3bmx n LYS 448 N 3.18 1.44 -2.22 0.44 5.02 -1.26 -4.58 118.16 120.18 3bmx n LYS 448 Ca 0.10 -3.99 -0.41 0.00 -2.02 0.00 0.00 58.31 51.98 3bmx n LYS 448 Cb 0.40 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.46 3bmx n LYS 448 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3bmx s PRO 449 N -1.36 4.42 0.66 1.97 0.04 -1.26 -5.02 135.00 134.45 3bmx s PRO 449 Ca 0.33 2.08 -0.12 0.00 0.04 0.00 0.00 61.00 63.32 3bmx s PRO 449 Cb 0.07 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 3bmx s PRO 449 CO -0.12 -0.15 1.06 -1.59 0.04 0.00 0.00 177.00 176.24 3bmx s LYS 450 N -0.99 3.10 0.29 4.56 -2.85 -1.26 -4.42 119.74 118.18 3bmx s LYS 450 Ca 0.52 1.02 -0.30 0.00 -1.00 0.00 0.00 55.97 56.21 3bmx s LYS 450 Cb -0.37 -2.01 -0.12 0.00 -2.06 0.00 0.00 37.83 33.27 3bmx s LYS 450 CO 0.44 -0.97 1.44 1.17 0.10 0.00 0.00 175.35 177.53 3bmx n LYS 451 N -2.75 2.31 -0.67 1.78 4.81 -1.26 -1.70 118.16 120.69 3bmx n LYS 451 Ca 0.08 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 3bmx n LYS 451 Cb 0.53 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.08 3bmx n LYS 451 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bmx n GLY 452 N 1.67 0.82 3.66 3.14 0.00 0.01 -5.02 105.19 109.46 3bmx n GLY 452 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3bmx n GLY 452 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bmx n SER 453 N 0.00 1.17 -4.50 1.61 7.64 -0.69 -4.63 113.62 114.23 3bmx n SER 453 Ca 0.00 0.78 -0.36 0.00 1.01 0.00 0.00 58.87 60.30 3bmx n SER 453 Cb 0.00 -1.45 -0.12 0.00 -1.01 0.00 0.00 64.21 61.63 3bmx n SER 453 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3bmx s ARG 454 N -3.12 3.75 -0.23 1.43 0.52 -1.26 -1.22 118.95 118.82 3bmx s ARG 454 Ca 0.78 -0.43 -0.05 0.00 -0.52 0.00 0.00 55.73 55.51 3bmx s ARG 454 Cb -0.39 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 3bmx s ARG 454 CO 0.45 -0.09 0.00 0.42 0.02 0.00 0.00 175.30 176.10 3bmx s ILE 455 N 1.36 3.81 -0.23 1.52 1.01 -0.11 -0.54 121.20 128.02 3bmx s ILE 455 Ca 0.05 -0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 3bmx s ILE 455 Cb -0.15 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3bmx s ILE 455 CO 0.04 0.40 0.39 -0.22 0.00 0.00 0.00 174.94 175.54 3bmx s LEU 456 N 1.42 4.10 -0.28 2.97 2.96 0.04 -1.89 118.68 128.00 3bmx s LEU 456 Ca 0.05 0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 54.30 3bmx s LEU 456 Cb -0.15 -2.47 -0.00 0.00 0.50 0.00 0.00 46.19 44.07 3bmx s LEU 456 CO 0.00 -0.13 0.08 -0.63 -1.32 0.00 0.00 176.35 174.35 3bmx s ILE 457 N 1.68 4.10 -0.14 6.68 1.01 0.16 -1.36 121.20 133.34 3bmx s ILE 457 Ca 0.17 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.32 3bmx s ILE 457 Cb -0.15 -3.05 0.01 0.00 0.01 0.00 0.00 42.46 39.28 3bmx s ILE 457 CO 0.09 0.16 -0.19 -0.69 0.00 0.00 0.00 174.94 174.31 3bmx s VAL 458 N 1.54 1.85 0.21 2.92 1.01 0.43 -0.49 120.40 127.87 3bmx s VAL 458 Ca 0.04 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 3bmx s VAL 458 Cb -0.16 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.59 3bmx s VAL 458 CO 0.03 0.51 0.59 0.00 0.00 0.00 0.00 175.10 176.23 3bmx s ALA 459 N 1.00 -1.16 0.16 5.51 0.00 -0.61 -0.13 121.76 126.53 3bmx s ALA 459 Ca -0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.70 3bmx s ALA 459 Cb -0.15 0.86 0.04 0.00 0.00 0.00 0.00 23.12 23.88 3bmx s ALA 459 CO -0.04 -0.85 1.77 -1.35 0.00 0.00 0.00 175.76 175.29 3bmx h PRO 460 N 2.10 0.69 -6.53 0.00 0.11 -1.86 -1.11 132.00 125.40 3bmx h PRO 460 Ca -0.28 -0.08 -0.63 0.00 0.11 0.00 0.00 66.00 65.13 3bmx h PRO 460 Cb 1.27 -0.14 -0.23 0.00 0.11 0.00 0.00 31.00 32.02 3bmx h PRO 460 CO 0.34 0.53 -0.85 0.71 -0.21 0.00 0.00 178.00 178.52 3bmx s TYR 461 N -5.89 2.06 0.28 0.65 2.02 -1.26 -1.36 117.35 113.86 3bmx s TYR 461 Ca -0.13 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 3bmx s TYR 461 Cb 0.12 -1.14 0.62 0.00 -0.40 0.00 0.00 41.96 41.16 3bmx s TYR 461 CO 0.75 0.25 1.79 0.93 -1.57 0.00 0.00 175.55 177.71 3bmx h GLU 462 N 4.11 0.79 -0.05 -0.62 5.08 -1.96 -0.51 114.58 121.41 3bmx h GLU 462 Ca -0.48 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 3bmx h GLU 462 Cb 1.17 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 3bmx h GLU 462 CO 0.40 0.52 -0.21 0.93 -1.00 0.00 0.00 179.01 179.66 3bmx h GLU 463 N 0.81 0.09 -0.02 2.33 5.08 -1.97 -0.11 114.58 120.79 3bmx h GLU 463 Ca 0.52 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.78 3bmx h GLU 463 Cb 0.69 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.93 3bmx h GLU 463 CO -0.33 0.29 -0.30 1.96 -1.00 0.00 0.00 179.01 179.63 3bmx h GLN 464 N 0.08 0.23 -0.35 2.33 4.20 -1.41 -0.08 115.11 120.12 3bmx h GLN 464 Ca 0.01 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3bmx h GLN 464 Cb 0.41 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3bmx h GLN 464 CO 0.03 0.92 0.16 1.79 -0.67 0.00 0.00 178.83 181.06 3bmx h THR 465 N -0.37 1.13 -0.62 -0.54 1.35 -1.33 -2.33 112.91 110.20 3bmx h THR 465 Ca -0.03 -0.37 -0.09 0.00 -0.55 0.00 0.00 66.41 65.37 3bmx h THR 465 Cb 1.01 0.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 3bmx h THR 465 CO 0.06 0.15 0.04 0.00 -0.25 0.00 0.00 175.52 175.52 3bmx h ALA 466 N 1.69 0.90 -0.48 6.62 0.00 -0.93 -0.69 119.26 126.37 3bmx h ALA 466 Ca 0.12 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3bmx h ALA 466 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3bmx h ALA 466 CO -0.02 0.66 0.06 1.03 0.00 0.00 0.00 179.25 180.98 3bmx h SER 467 N 0.98 0.78 -0.25 0.00 0.87 -0.95 0.11 113.55 115.08 3bmx h SER 467 Ca 0.18 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3bmx h SER 467 Cb 0.51 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3bmx h SER 467 CO 0.02 0.86 0.11 0.40 -0.53 0.00 0.00 176.83 177.69 3bmx h ILE 468 N 0.67 1.16 -0.34 2.23 2.04 -1.31 -1.90 117.51 120.06 3bmx h ILE 468 Ca 0.14 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3bmx h ILE 468 Cb 0.42 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3bmx h ILE 468 CO 0.01 0.16 0.20 -0.08 0.00 0.00 0.00 178.15 178.44 3bmx h GLU 469 N 0.27 0.40 -0.77 2.37 4.81 -0.95 -1.65 114.58 119.05 3bmx h GLU 469 Ca 0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3bmx h GLU 469 Cb 0.15 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3bmx h GLU 469 CO -0.01 0.26 0.28 1.96 -0.73 0.00 0.00 179.01 180.78 3bmx h GLN 470 N 0.41 1.17 -0.41 1.92 1.08 -0.90 0.14 115.11 118.53 3bmx h GLN 470 Ca 0.13 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 3bmx h GLN 470 Cb -0.00 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 3bmx h GLN 470 CO -0.06 0.97 0.17 1.15 -0.95 0.00 0.00 178.83 180.11 3bmx h THR 471 N 1.14 1.19 -0.39 -0.54 2.02 -1.03 -1.47 112.91 113.83 3bmx h THR 471 Ca 0.25 -0.58 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 3bmx h THR 471 Cb 0.25 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3bmx h THR 471 CO -0.02 0.21 -0.02 0.40 0.37 0.00 0.00 175.52 176.47 3bmx h ILE 472 N 0.51 1.26 -0.84 3.11 2.04 -0.92 -1.71 117.51 120.96 3bmx h ILE 472 Ca 0.14 -1.04 0.13 0.00 1.00 0.00 0.00 64.86 65.09 3bmx h ILE 472 Cb 0.17 1.16 -0.09 0.00 -0.74 0.00 0.00 36.82 37.32 3bmx h ILE 472 CO -0.01 0.35 0.45 -0.74 0.00 0.00 0.00 178.15 178.20 3bmx h HIS 473 N 0.52 0.80 -0.43 1.37 2.76 -0.58 -0.86 115.15 118.74 3bmx h HIS 473 Ca 0.11 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.19 3bmx h HIS 473 Cb 0.50 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3bmx h HIS 473 CO 0.04 0.25 -0.21 0.22 -1.30 0.00 0.00 177.93 176.93 3bmx h ASP 474 N 0.69 0.88 -0.77 3.26 3.58 -0.79 -0.71 116.42 122.57 3bmx h ASP 474 Ca 0.44 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 3bmx h ASP 474 Cb 0.54 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.31 3bmx h ASP 474 CO -0.32 1.06 0.42 -0.07 -2.88 0.00 0.00 179.24 177.46 3bmx h LEU 475 N 0.75 0.97 -0.12 2.28 3.38 -0.52 -0.32 115.31 121.73 3bmx h LEU 475 Ca 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3bmx h LEU 475 Cb 0.75 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3bmx h LEU 475 CO 0.06 0.78 0.00 0.40 0.09 0.00 0.00 178.44 179.78 3bmx h ILE 476 N 1.09 1.25 -0.74 1.22 2.04 -0.83 0.63 117.51 122.15 3bmx h ILE 476 Ca 0.27 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3bmx h ILE 476 Cb 0.03 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 3bmx h ILE 476 CO -0.04 0.23 0.47 0.50 0.00 0.00 0.00 178.15 179.31 3bmx h LYS 477 N -0.05 0.99 -0.17 2.37 3.64 -0.80 -1.05 116.57 121.50 3bmx h LYS 477 Ca 0.04 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3bmx h LYS 477 Cb 0.35 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3bmx h LYS 477 CO 0.01 0.67 0.00 0.54 -2.27 0.00 0.00 179.45 178.40 3bmx n ARG 478 N -4.41 1.54 -2.56 1.90 1.74 -0.16 -4.92 116.66 109.80 3bmx n ARG 478 Ca 0.08 -0.83 -0.17 0.00 -0.77 0.00 0.00 57.85 56.16 3bmx n ARG 478 Cb 0.05 -1.30 0.01 0.00 -1.02 0.00 0.00 32.46 30.20 3bmx n ARG 478 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3bmx n LYS 479 N 0.10 -2.51 0.03 5.56 4.76 -0.40 -4.89 118.16 120.81 3bmx n LYS 479 Ca 0.13 0.78 0.01 0.00 -2.87 0.00 0.00 58.31 56.35 3bmx n LYS 479 Cb 0.24 -5.23 -0.08 0.00 -1.84 0.00 0.00 35.03 28.11 3bmx n LYS 479 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3bmx n LYS 480 N -2.95 0.63 -4.25 1.97 4.76 0.17 -4.91 118.16 113.57 3bmx n LYS 480 Ca -0.15 0.18 -0.14 0.00 -2.87 0.00 0.00 58.31 55.33 3bmx n LYS 480 Cb 0.63 -1.78 -0.10 0.00 -1.84 0.00 0.00 35.03 31.94 3bmx n LYS 480 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3bmx s ILE 481 N -2.97 0.65 0.68 -0.18 -4.36 -1.17 -5.02 121.20 108.84 3bmx s ILE 481 Ca -0.03 -1.98 -0.13 0.00 -0.26 0.00 0.00 60.65 58.24 3bmx s ILE 481 Cb 0.09 -2.21 0.01 0.00 1.25 0.00 0.00 42.46 41.60 3bmx s ILE 481 CO 0.82 -0.39 1.08 -0.54 0.24 0.00 0.00 174.94 176.14 3bmx s LYS 482 N -3.94 2.81 0.26 0.37 -0.14 -1.26 -4.52 119.74 113.32 3bmx s LYS 482 Ca 0.26 1.19 -0.30 0.00 -1.36 0.00 0.00 55.97 55.76 3bmx s LYS 482 Cb 0.06 -1.96 -0.11 0.00 -1.68 0.00 0.00 37.83 34.14 3bmx s LYS 482 CO 0.06 -1.22 1.59 -2.14 -0.76 0.00 0.00 175.35 172.88 3bmx s PRO 483 N -4.51 4.15 0.06 -1.68 0.02 -1.26 -4.87 135.00 126.91 3bmx s PRO 483 Ca 0.63 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.17 3bmx s PRO 483 Cb -0.17 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3bmx s PRO 483 CO 0.47 -0.62 -0.04 0.14 -0.33 0.00 0.00 177.00 176.62 3bmx s VAL 484 N 0.26 0.37 0.11 3.83 -7.23 -1.26 -0.81 120.40 115.67 3bmx s VAL 484 Ca 0.65 -1.65 -0.08 0.00 -1.81 0.00 0.00 61.98 59.09 3bmx s VAL 484 Cb -0.47 -1.30 -0.06 0.00 0.56 0.00 0.00 36.38 35.11 3bmx s VAL 484 CO 0.43 -0.84 0.40 -0.94 -0.31 0.00 0.00 175.10 173.85 3bmx s SER 485 N -2.62 6.57 -0.02 4.85 1.04 -0.36 -4.97 113.70 118.19 3bmx s SER 485 Ca 0.04 0.71 0.07 0.00 0.48 0.00 0.00 55.95 57.25 3bmx s SER 485 Cb 0.03 -2.14 -0.02 0.00 0.10 0.00 0.00 66.02 63.99 3bmx s SER 485 CO -0.06 0.11 -0.22 -0.76 0.98 0.00 0.00 173.24 173.28 3bmx s LEU 486 N -2.28 2.04 0.07 2.42 1.43 -1.26 -0.94 118.68 120.16 3bmx s LEU 486 Ca 0.37 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 3bmx s LEU 486 Cb -0.13 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 3bmx s LEU 486 CO 0.21 0.26 -0.08 -0.94 0.23 0.00 0.00 176.35 176.03 3bmx s SER 487 N -0.44 1.05 0.06 2.29 1.04 -0.79 -4.98 113.70 111.93 3bmx s SER 487 Ca 0.06 -0.75 0.09 0.00 0.48 0.00 0.00 55.95 55.84 3bmx s SER 487 Cb -0.09 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 3bmx s SER 487 CO -0.00 -0.30 -0.26 -0.54 0.98 0.00 0.00 173.24 173.12 3bmx s LYS 488 N -2.55 1.70 -0.19 4.02 1.02 -1.26 -0.66 119.74 121.82 3bmx s LYS 488 Ca -0.00 -1.13 -0.03 0.00 0.02 0.00 0.00 55.97 54.84 3bmx s LYS 488 Cb -0.04 -1.92 0.06 0.00 -0.52 0.00 0.00 37.83 35.41 3bmx s LYS 488 CO -0.02 0.49 0.03 1.41 -0.92 0.00 0.00 175.35 176.34 3bmx s MET 489 N -1.35 0.71 -0.30 1.68 -2.45 0.36 -4.94 119.30 113.01 3bmx s MET 489 Ca 0.12 -0.41 -0.12 0.00 -1.25 0.00 0.00 55.69 54.02 3bmx s MET 489 Cb -0.10 -2.05 -0.04 0.00 1.25 0.00 0.00 34.83 33.89 3bmx s MET 489 CO 0.03 -0.61 0.25 -0.80 1.05 0.00 0.00 175.02 174.93 3bmx s ASN 490 N 1.84 6.08 0.00 1.11 0.01 -1.26 -1.58 114.94 121.15 3bmx s ASN 490 Ca -0.01 -0.10 0.11 0.00 -0.71 0.00 0.00 52.86 52.15 3bmx s ASN 490 Cb -0.17 -2.15 0.07 0.00 0.41 0.00 0.00 41.25 39.42 3bmx s ASN 490 CO -0.08 -0.15 0.82 2.22 -1.51 0.00 0.00 177.10 178.40 3bmx n PHE 491 N 5.14 0.00 -1.67 2.20 1.16 -0.42 -4.92 117.46 118.95 3bmx n PHE 491 Ca -0.12 0.00 -0.45 0.00 -1.87 0.00 0.00 57.45 55.01 3bmx n PHE 491 Cb 0.51 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.35 3bmx n PHE 491 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3bmx n ALA 492 N 0.46 1.21 -1.30 1.98 0.00 -0.46 -1.25 120.51 121.14 3bmx n ALA 492 Ca 0.06 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.81 3bmx n ALA 492 Cb 0.27 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.38 3bmx n ALA 492 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3bmx n SER 493 N 2.29 -5.24 -4.81 0.00 7.64 -1.26 -4.98 113.62 107.26 3bmx n SER 493 Ca 0.12 0.26 -0.25 0.00 1.01 0.00 0.00 58.87 60.00 3bmx n SER 493 Cb 0.31 -3.65 -0.05 0.00 -1.01 0.00 0.00 64.21 59.81 3bmx n SER 493 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3bmx s GLN 494 N -2.74 2.93 -0.05 1.43 -1.52 -0.38 -4.87 119.66 114.46 3bmx s GLN 494 Ca 0.00 -0.89 -0.02 0.00 -1.95 0.00 0.00 55.36 52.51 3bmx s GLN 494 Cb 0.00 -2.65 -0.04 0.00 -0.22 0.00 0.00 33.01 30.11 3bmx s GLN 494 CO 0.00 0.47 0.06 0.54 -0.25 0.00 0.00 175.29 176.11 3bmx s VAL 495 N -1.81 4.65 -0.11 1.09 0.11 -1.26 -4.63 120.40 118.44 3bmx s VAL 495 Ca 0.31 -0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.79 3bmx s VAL 495 Cb -0.10 -3.05 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 3bmx s VAL 495 CO 0.24 0.48 1.31 0.12 -3.33 0.00 0.00 175.10 173.93 3bmx s PHE 496 N -1.05 2.81 0.46 1.54 2.19 -1.26 -4.99 117.98 117.67 3bmx s PHE 496 Ca 0.18 0.92 0.04 0.00 0.33 0.00 0.00 56.93 58.40 3bmx s PHE 496 Cb -0.12 -3.56 -0.04 0.00 -1.31 0.00 0.00 43.02 37.99 3bmx s PHE 496 CO 0.08 -1.98 0.02 0.15 1.83 0.00 0.00 175.22 175.32 3bmx s LYS 497 N 3.18 2.06 0.31 10.12 1.02 -1.26 -5.01 119.74 130.17 3bmx s LYS 497 Ca 0.58 -2.25 0.03 0.00 0.02 0.00 0.00 55.97 54.35 3bmx s LYS 497 Cb -0.25 -1.47 0.60 0.00 -0.52 0.00 0.00 37.83 36.19 3bmx s LYS 497 CO 0.19 -0.25 1.90 1.15 -0.92 0.00 0.00 175.35 177.43 3bmx h THR 498 N 1.58 1.01 -0.76 2.17 2.02 -1.99 -0.49 112.91 116.45 3bmx h THR 498 Ca -0.43 -0.32 0.13 0.00 0.77 0.00 0.00 66.41 66.55 3bmx h THR 498 Cb 1.28 -0.01 -0.09 0.00 -1.74 0.00 0.00 68.15 67.59 3bmx h THR 498 CO 0.75 0.17 0.34 -0.33 0.37 0.00 0.00 175.52 176.82 3bmx h GLU 499 N 0.94 0.50 -0.16 6.66 5.08 -1.99 -0.73 114.58 124.89 3bmx h GLU 499 Ca 0.40 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.52 3bmx h GLU 499 Cb 0.31 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.45 3bmx h GLU 499 CO -0.16 0.33 -0.74 0.45 -1.00 0.00 0.00 179.01 177.89 3bmx h HIS 500 N 0.52 0.99 -0.70 4.33 3.86 -1.50 -2.56 115.15 120.09 3bmx h HIS 500 Ca 0.41 -0.43 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3bmx h HIS 500 Cb 0.57 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 3bmx h HIS 500 CO -0.14 1.25 0.40 1.49 0.86 0.00 0.00 177.93 181.79 3bmx h GLU 501 N 0.52 0.95 -0.60 2.45 4.81 -0.76 -1.90 114.58 120.05 3bmx h GLU 501 Ca -0.04 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 3bmx h GLU 501 Cb 1.36 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 3bmx h GLU 501 CO 0.15 0.69 0.23 -0.22 -0.73 0.00 0.00 179.01 179.13 3bmx h LYS 502 N 0.97 0.90 -0.72 1.92 3.64 -0.95 -0.86 116.57 121.47 3bmx h LYS 502 Ca 0.25 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3bmx h LYS 502 Cb -0.00 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3bmx h LYS 502 CO -0.04 0.77 0.25 1.96 -2.27 0.00 0.00 179.45 180.12 3bmx h GLN 503 N 0.83 1.09 -0.36 1.90 4.20 -1.02 -1.20 115.11 120.55 3bmx h GLN 503 Ca 0.20 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3bmx h GLN 503 Cb 0.21 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3bmx h GLN 503 CO -0.02 0.91 0.11 0.28 -0.67 0.00 0.00 178.83 179.45 3bmx h VAL 504 N 1.05 1.21 -0.28 -0.54 2.07 -0.92 -2.31 116.25 116.54 3bmx h VAL 504 Ca 0.24 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3bmx h VAL 504 Cb 0.26 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3bmx h VAL 504 CO -0.01 0.24 0.08 0.11 0.02 0.00 0.00 177.57 178.01 3bmx h LYS 505 N 0.43 0.39 0.00 1.57 1.57 -0.77 -2.42 116.57 117.34 3bmx h LYS 505 Ca 0.11 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3bmx h LYS 505 Cb 0.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3bmx h LYS 505 CO -0.00 0.35 -0.15 0.93 -0.57 0.00 0.00 179.45 180.00 3bmx h GLU 506 N 0.39 0.00 -7.17 3.15 5.08 -0.99 -3.47 114.58 111.57 3bmx h GLU 506 Ca 0.10 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.99 3bmx h GLU 506 Cb 0.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3bmx h GLU 506 CO -0.01 0.00 0.37 0.00 -1.00 0.00 0.00 179.01 178.37 3bmx s ALA 507 N -3.19 3.06 -0.13 3.43 0.00 -0.89 -4.88 121.76 119.16 3bmx s ALA 507 Ca 0.07 0.21 0.18 0.00 0.00 0.00 0.00 51.96 52.42 3bmx s ALA 507 Cb 0.08 -3.12 -0.24 0.00 0.00 0.00 0.00 23.12 19.84 3bmx s ALA 507 CO 0.66 -0.18 0.38 -0.25 0.00 0.00 0.00 175.76 176.37 3bmx n ASP 508 N -1.45 0.28 -3.85 0.00 8.00 0.30 -4.97 116.55 114.85 3bmx n ASP 508 Ca 0.07 0.13 -0.12 0.00 0.71 0.00 0.00 54.79 55.57 3bmx n ASP 508 Cb 0.54 0.91 -0.12 0.00 -0.02 0.00 0.00 41.12 42.43 3bmx n ASP 508 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3bmx s TYR 509 N -2.81 -0.06 -0.08 1.24 2.02 -0.77 -4.19 117.35 112.69 3bmx s TYR 509 Ca -0.07 0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.80 3bmx s TYR 509 Cb 0.08 0.01 0.02 0.00 -0.40 0.00 0.00 41.96 41.67 3bmx s TYR 509 CO 0.84 -0.12 -0.10 0.42 -1.57 0.00 0.00 175.55 175.03 3bmx s ILE 510 N -0.34 1.03 -0.22 2.71 1.01 -0.42 -0.78 121.20 124.19 3bmx s ILE 510 Ca -0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 3bmx s ILE 510 Cb -0.03 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 3bmx s ILE 510 CO 0.00 0.35 -0.06 -0.63 0.00 0.00 0.00 174.94 174.59 3bmx s ILE 511 N 1.05 3.16 -0.11 2.92 1.01 -0.46 -1.66 121.20 127.11 3bmx s ILE 511 Ca -0.07 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.01 3bmx s ILE 511 Cb -0.15 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.89 3bmx s ILE 511 CO -0.01 0.42 -0.23 -0.89 0.00 0.00 0.00 174.94 174.22 3bmx s THR 512 N 1.44 2.04 -0.10 2.92 2.01 -0.42 -0.42 115.64 123.11 3bmx s THR 512 Ca 0.05 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 60.95 3bmx s THR 512 Cb -0.14 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 3bmx s THR 512 CO -0.05 0.55 0.25 -0.83 -0.69 0.00 0.00 174.62 173.85 3bmx s GLY 513 N 0.46 2.26 -0.03 4.40 0.00 0.82 -0.27 107.32 114.95 3bmx s GLY 513 Ca -0.16 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.11 3bmx s GLY 513 CO 0.06 -0.04 -0.11 -0.45 0.00 0.00 0.00 173.10 172.56 3bmx s SER 514 N -0.67 4.29 -0.15 1.64 0.15 -0.23 -4.31 113.70 114.41 3bmx s SER 514 Ca 0.17 -0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.65 3bmx s SER 514 Cb -0.13 -0.96 0.04 0.00 -1.71 0.00 0.00 66.02 63.26 3bmx s SER 514 CO 0.06 0.33 -0.02 -0.47 1.20 0.00 0.00 173.24 174.34 3bmx s TYR 515 N -0.83 1.31 0.03 3.44 6.14 -1.26 -0.44 117.35 125.73 3bmx s TYR 515 Ca 0.13 -0.82 0.01 0.00 0.64 0.00 0.00 57.07 57.03 3bmx s TYR 515 Cb -0.11 -1.13 -0.02 0.00 0.42 0.00 0.00 41.96 41.12 3bmx s TYR 515 CO 0.03 -0.55 -0.05 0.14 0.64 0.00 0.00 175.55 175.76 3bmx s VAL 516 N 1.76 0.30 0.00 3.14 -7.23 -1.26 -4.88 120.40 112.23 3bmx s VAL 516 Ca 0.01 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 3bmx s VAL 516 Cb -0.15 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.39 3bmx s VAL 516 CO -0.07 -0.42 0.00 0.52 -0.31 0.00 0.00 175.10 174.82 3bmx n VAL 517 N 1.62 0.00 -2.78 1.32 0.31 -1.26 -2.06 118.33 115.49 3bmx n VAL 517 Ca -0.23 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 3bmx n VAL 517 Cb 0.55 -0.66 -0.03 0.00 -0.91 0.00 0.00 33.84 32.79 3bmx n VAL 517 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3bmx s LYS 518 N 0.00 4.43 -0.39 5.55 2.20 -1.26 -4.77 119.74 125.50 3bmx s LYS 518 Ca 0.00 1.26 -0.22 0.00 -0.36 0.00 0.00 55.97 56.65 3bmx s LYS 518 Cb 0.00 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 3bmx s LYS 518 CO 0.00 -0.21 0.75 1.21 -0.36 0.00 0.00 175.35 176.74 3bmx s ASN 519 N 1.05 6.48 -0.34 1.43 2.47 -1.26 -4.92 114.94 119.83 3bmx s ASN 519 Ca 0.46 0.15 0.15 0.00 0.42 0.00 0.00 52.86 54.04 3bmx s ASN 519 Cb -0.19 -2.38 0.45 0.00 -1.45 0.00 0.00 41.25 37.69 3bmx s ASN 519 CO 0.19 -0.76 1.01 -0.90 -3.72 0.00 0.00 177.10 172.92 3bmx n ASP 520 N 6.42 2.34 -4.71 -4.21 5.68 -1.26 -5.05 116.55 115.76 3bmx n ASP 520 Ca 0.02 -2.94 -0.33 0.00 -0.50 0.00 0.00 54.79 51.04 3bmx n ASP 520 Cb 0.48 -0.50 0.12 0.00 -1.14 0.00 0.00 41.12 40.08 3bmx n ASP 520 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 3bmx s PRO 521 N -3.28 1.76 -0.13 0.11 0.04 -1.26 -4.95 135.00 127.29 3bmx s PRO 521 Ca 0.33 1.65 -0.27 0.00 0.04 0.00 0.00 61.00 62.75 3bmx s PRO 521 Cb 0.43 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 33.16 3bmx s PRO 521 CO -0.02 -2.10 0.90 0.08 0.04 0.00 0.00 177.00 175.91 3bmx s VAL 522 N -2.27 4.85 -0.01 -0.36 1.01 -1.26 -5.02 120.40 117.33 3bmx s VAL 522 Ca 0.71 1.81 0.00 0.00 0.00 0.00 0.00 61.98 64.51 3bmx s VAL 522 Cb -0.26 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 31.91 3bmx s VAL 522 CO 0.50 0.03 -0.00 0.54 0.00 0.00 0.00 175.10 176.17 3bmx s VAL 523 N 1.98 0.11 -0.08 2.92 0.11 -1.26 -0.74 120.40 123.45 3bmx s VAL 523 Ca 0.43 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.49 3bmx s VAL 523 Cb -0.17 -0.15 0.03 0.00 -1.53 0.00 0.00 36.38 34.55 3bmx s VAL 523 CO 0.15 0.07 -0.04 0.20 -3.33 0.00 0.00 175.10 172.16 3bmx s ASN 524 N 0.40 1.73 -1.54 3.54 0.01 -0.33 -4.83 114.94 113.93 3bmx s ASN 524 Ca -0.04 -0.18 -0.07 0.00 -0.71 0.00 0.00 52.86 51.86 3bmx s ASN 524 Cb -0.06 -0.61 0.06 0.00 0.41 0.00 0.00 41.25 41.05 3bmx s ASN 524 CO -0.01 -0.14 0.51 0.47 -1.51 0.00 0.00 177.10 176.42 3bmx n ASP 525 N 4.87 -1.27 0.00 -1.22 9.92 -1.26 -1.06 116.55 126.53 3bmx n ASP 525 Ca -0.12 -1.04 0.00 0.00 -0.53 0.00 0.00 54.79 53.10 3bmx n ASP 525 Cb 0.50 -2.77 0.00 0.00 -0.64 0.00 0.00 41.12 38.21 3bmx n ASP 525 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3bmx n GLY 526 N -1.84 1.16 3.41 0.44 0.00 -1.26 -5.00 105.19 102.10 3bmx n GLY 526 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3bmx n GLY 526 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bmx s VAL 527 N -3.89 4.29 0.19 1.61 1.01 -0.22 -4.54 120.40 118.85 3bmx s VAL 527 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 3bmx s VAL 527 Cb 0.00 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 3bmx s VAL 527 CO 0.00 0.17 1.37 -0.63 0.00 0.00 0.00 175.10 176.01 3bmx s ILE 528 N 1.58 3.06 -0.54 2.22 1.01 -1.26 -1.18 121.20 126.08 3bmx s ILE 528 Ca 0.05 0.84 -0.28 0.00 0.00 0.00 0.00 60.65 61.27 3bmx s ILE 528 Cb -0.16 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.80 3bmx s ILE 528 CO 0.04 0.11 1.12 -0.62 0.00 0.00 0.00 174.94 175.59 3bmx s ASP 529 N 0.56 6.48 0.00 3.58 2.15 0.09 -4.85 116.67 124.68 3bmx s ASP 529 Ca 0.60 0.12 0.23 0.00 0.43 0.00 0.00 52.55 53.93 3bmx s ASP 529 Cb -0.38 -2.53 0.56 0.00 -0.30 0.00 0.00 42.92 40.27 3bmx s ASP 529 CO 0.37 -1.36 1.48 0.47 -0.17 0.00 0.00 175.17 175.97 3bmx n ASP 530 N 8.06 3.66 -0.13 -0.34 8.00 -1.26 -4.34 116.55 130.20 3bmx n ASP 530 Ca 0.08 -1.99 0.13 0.00 0.71 0.00 0.00 54.79 53.72 3bmx n ASP 530 Cb 0.49 -0.38 0.40 0.00 -0.02 0.00 0.00 41.12 41.60 3bmx n ASP 530 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3bmx n THR 531 N 1.54 0.00 -1.72 -3.53 -2.24 -1.26 -4.84 114.28 102.23 3bmx n THR 531 Ca 0.22 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.51 3bmx n THR 531 Cb 0.60 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 3bmx n THR 531 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3bmx s ILE 532 N -2.68 2.57 -0.05 2.28 1.01 -1.26 -4.89 121.20 118.17 3bmx s ILE 532 Ca 0.20 0.07 0.08 0.00 0.00 0.00 0.00 60.65 61.00 3bmx s ILE 532 Cb 0.19 -3.04 0.12 0.00 0.01 0.00 0.00 42.46 39.73 3bmx s ILE 532 CO 0.57 -0.00 1.02 -1.54 0.00 0.00 0.00 174.94 174.99 3bmx n SER 533 N 5.74 1.82 -0.60 3.58 3.41 -1.26 -4.99 113.62 121.31 3bmx n SER 533 Ca 0.18 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 3bmx n SER 533 Cb 0.38 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3bmx n SER 533 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3bmx n ASP 534 N -0.80 1.25 -0.80 4.04 5.68 -1.26 -4.94 116.55 119.73 3bmx n ASP 534 Ca 0.07 -0.30 0.07 0.00 -0.50 0.00 0.00 54.79 54.13 3bmx n ASP 534 Cb 0.47 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.62 3bmx n ASP 534 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3bmx n SER 535 N -0.53 3.06 0.23 -1.12 3.41 -1.26 -4.64 113.62 112.77 3bmx n SER 535 Ca 0.00 -1.94 0.16 0.00 -0.26 0.00 0.00 58.87 56.83 3bmx n SER 535 Cb 0.00 -0.26 0.66 0.00 -0.26 0.00 0.00 64.21 64.35 3bmx n SER 535 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3bmx h SER 536 N 2.68 0.00 -0.32 4.04 4.64 -1.94 -2.86 113.55 119.79 3bmx h SER 536 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 3bmx h SER 536 Cb 0.77 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.55 3bmx h SER 536 CO 0.00 0.00 -0.88 0.29 -0.87 0.00 0.00 176.83 175.37 3bmx n LYS 537 N -2.78 1.80 -0.01 4.77 4.76 -1.26 -4.91 118.16 120.53 3bmx n LYS 537 Ca 0.01 -3.29 0.18 0.00 -2.87 0.00 0.00 58.31 52.34 3bmx n LYS 537 Cb 0.25 -1.41 0.64 0.00 -1.84 0.00 0.00 35.03 32.67 3bmx n LYS 537 CO 0.00 0.00 0.00 0.11 -1.37 0.00 0.00 177.40 176.14 3bmx h TRP 538 N 1.75 0.11 0.00 2.13 5.08 -1.80 -1.12 115.95 122.09 3bmx h TRP 538 Ca 0.01 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.97 3bmx h TRP 538 Cb 1.43 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 27.55 3bmx h TRP 538 CO 0.58 0.04 -0.07 0.00 -1.28 0.00 0.00 178.44 177.71 3bmx h ALA 539 N 1.74 1.17 0.00 0.11 0.00 -1.89 -2.52 119.26 117.87 3bmx h ALA 539 Ca 0.25 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 3bmx h ALA 539 Cb 0.86 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3bmx h ALA 539 CO -0.02 0.09 -1.50 0.25 0.00 0.00 0.00 179.25 178.06 3bmx n THR 540 N -3.41 0.50 -0.07 0.00 -2.24 -0.82 -4.61 114.28 103.63 3bmx n THR 540 Ca -0.02 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 3bmx n THR 540 Cb 0.22 -1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 67.35 3bmx n THR 540 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3bmx h VAL 541 N -0.10 1.20 0.38 2.28 2.07 -1.27 -2.56 116.25 118.26 3bmx h VAL 541 Ca -0.21 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3bmx h VAL 541 Cb 1.27 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3bmx h VAL 541 CO -0.06 0.20 -0.18 0.15 0.02 0.00 0.00 177.57 177.70 3bmx h PHE 542 N 0.19 -0.47 -0.02 1.57 3.04 -1.66 -0.65 116.94 118.93 3bmx h PHE 542 Ca 0.07 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.96 3bmx h PHE 542 Cb 0.26 0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 3bmx h PHE 542 CO 0.01 -0.18 -0.21 -1.00 -2.02 0.00 0.00 178.31 174.90 3bmx h PRO 543 N -0.72 0.03 -0.49 6.41 0.13 -1.73 -1.05 132.00 134.58 3bmx h PRO 543 Ca -0.05 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 3bmx h PRO 543 Cb 0.50 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 3bmx h PRO 543 CO 0.09 0.25 0.08 0.00 -0.23 0.00 0.00 178.00 178.18 3bmx h ARG 544 N 0.03 0.77 -0.54 0.86 3.08 -1.31 -1.03 114.38 116.24 3bmx h ARG 544 Ca 0.00 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 3bmx h ARG 544 Cb 0.40 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3bmx h ARG 544 CO 0.03 0.73 -0.07 0.00 -1.07 0.00 0.00 179.97 179.58 3bmx h ALA 545 N 1.35 0.84 -0.31 0.04 0.00 -0.03 -0.04 119.26 121.11 3bmx h ALA 545 Ca 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3bmx h ALA 545 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3bmx h ALA 545 CO 0.01 0.66 0.16 0.28 0.00 0.00 0.00 179.25 180.36 3bmx h VAL 546 N 0.90 1.14 -0.38 0.00 2.07 -0.98 -1.49 116.25 117.51 3bmx h VAL 546 Ca 0.15 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.31 3bmx h VAL 546 Cb 0.62 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3bmx h VAL 546 CO 0.04 0.14 0.21 -0.03 0.02 0.00 0.00 177.57 177.96 3bmx h MET 547 N 0.38 0.42 -0.48 1.57 -1.53 -0.90 0.50 114.93 114.89 3bmx h MET 547 Ca 0.11 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.34 3bmx h MET 547 Cb 0.08 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.01 3bmx h MET 547 CO -0.02 0.28 0.30 -0.22 0.14 0.00 0.00 176.91 177.40 3bmx h LYS 548 N 0.44 0.65 -0.64 0.39 3.64 -0.84 0.47 116.57 120.67 3bmx h LYS 548 Ca 0.16 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 3bmx h LYS 548 Cb 0.03 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3bmx h LYS 548 CO -0.08 0.46 0.08 0.00 -2.27 0.00 0.00 179.45 177.63 3bmx h ALA 549 N 1.15 0.85 -0.43 5.00 0.00 -0.83 -0.85 119.26 124.16 3bmx h ALA 549 Ca 0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3bmx h ALA 549 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3bmx h ALA 549 CO -0.03 0.64 0.17 0.00 0.00 0.00 0.00 179.25 180.02 3bmx h ALA 550 N 1.03 0.56 -0.59 0.00 0.00 -0.40 -2.06 119.26 117.79 3bmx h ALA 550 Ca 0.19 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3bmx h ALA 550 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3bmx h ALA 550 CO 0.02 0.17 -0.04 -0.07 0.00 0.00 0.00 179.25 179.33 3bmx h LEU 551 N 0.55 1.06 -1.54 0.00 3.38 -0.69 0.58 115.31 118.65 3bmx h LEU 551 Ca 0.14 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3bmx h LEU 551 Cb 0.20 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3bmx h LEU 551 CO -0.01 1.13 0.20 1.56 0.09 0.00 0.00 178.44 181.41 3bmx h GLN 552 N 0.97 0.51 -0.58 1.13 4.20 -0.91 -2.06 115.11 118.37 3bmx h GLN 552 Ca 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3bmx h GLN 552 Cb 0.61 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3bmx h GLN 552 CO 0.04 0.38 0.00 0.72 -0.67 0.00 0.00 178.83 179.30 3bmx n HIS 553 N -4.44 1.51 -3.79 2.96 8.25 -0.80 -4.96 115.22 113.96 3bmx n HIS 553 Ca 0.02 -0.66 -0.26 0.00 -0.26 0.00 0.00 57.72 56.57 3bmx n HIS 553 Cb 0.10 -0.30 0.04 0.00 1.12 0.00 0.00 29.99 30.95 3bmx n HIS 553 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3bmx n ASN 554 N 0.83 -3.63 -4.82 0.41 2.85 -0.67 -4.97 115.26 105.26 3bmx n ASN 554 Ca 0.25 -0.76 -0.37 0.00 -0.11 0.00 0.00 54.58 53.59 3bmx n ASN 554 Cb 0.93 -4.12 -0.06 0.00 1.24 0.00 0.00 39.78 37.77 3bmx n ASN 554 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3bmx s LYS 555 N -6.32 3.88 0.10 1.20 -0.14 0.11 -5.02 119.74 113.54 3bmx s LYS 555 Ca 0.40 0.17 -0.33 0.00 -1.36 0.00 0.00 55.97 54.85 3bmx s LYS 555 Cb -0.20 -3.27 -0.12 0.00 -1.68 0.00 0.00 37.83 32.56 3bmx s LYS 555 CO 0.81 0.59 1.73 -2.30 -0.76 0.00 0.00 175.35 175.42 3bmx n PRO 556 N 2.36 2.39 -3.83 -1.68 -0.02 -1.26 -4.58 135.00 128.38 3bmx n PRO 556 Ca -0.15 0.87 -0.16 0.00 -2.02 0.00 0.00 63.50 62.04 3bmx n PRO 556 Cb 0.53 -2.69 -0.16 0.00 -0.02 0.00 0.00 33.50 31.16 3bmx n PRO 556 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3bmx s PHE 557 N 2.15 0.13 -0.04 6.00 5.36 -1.26 -1.30 117.98 129.02 3bmx s PHE 557 Ca 0.83 0.08 0.04 0.00 -0.96 0.00 0.00 56.93 56.91 3bmx s PHE 557 Cb -0.61 -0.29 -0.00 0.00 -0.34 0.00 0.00 43.02 41.78 3bmx s PHE 557 CO 0.40 -0.10 -0.14 0.54 -1.46 0.00 0.00 175.22 174.47 3bmx s VAL 558 N 1.01 1.17 -0.22 3.12 0.11 -0.66 -3.90 120.40 121.03 3bmx s VAL 558 Ca -0.09 -0.57 -0.09 0.00 -2.93 0.00 0.00 61.98 58.30 3bmx s VAL 558 Cb -0.13 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 3bmx s VAL 558 CO -0.02 0.35 0.11 -0.22 -3.33 0.00 0.00 175.10 171.98 3bmx s LEU 559 N 0.10 3.87 -0.29 2.54 1.98 -0.66 -1.30 118.68 124.93 3bmx s LEU 559 Ca -0.04 0.03 -0.06 0.00 -2.89 0.00 0.00 54.13 51.18 3bmx s LEU 559 Cb -0.10 -2.02 0.02 0.00 0.66 0.00 0.00 46.19 44.74 3bmx s LEU 559 CO 0.01 0.08 0.05 -0.32 -1.89 0.00 0.00 176.35 174.28 3bmx s MET 560 N 0.97 2.97 -0.10 1.98 -2.45 0.63 -1.07 119.30 122.22 3bmx s MET 560 Ca 0.06 -0.93 -0.30 0.00 -1.25 0.00 0.00 55.69 53.27 3bmx s MET 560 Cb -0.14 -3.30 -0.03 0.00 1.25 0.00 0.00 34.83 32.62 3bmx s MET 560 CO 0.03 -0.46 1.28 0.45 1.05 0.00 0.00 175.02 177.36 3bmx s SER 561 N 1.45 6.96 -0.20 1.11 0.15 0.20 -1.07 113.70 122.29 3bmx s SER 561 Ca 0.01 1.81 0.10 0.00 0.70 0.00 0.00 55.95 58.58 3bmx s SER 561 Cb -0.17 -2.55 -0.22 0.00 -1.71 0.00 0.00 66.02 61.37 3bmx s SER 561 CO 0.01 -0.70 0.04 0.18 1.20 0.00 0.00 173.24 173.96 3bmx n LEU 562 N 5.99 1.31 0.00 3.45 4.77 0.41 -1.60 117.00 131.33 3bmx n LEU 562 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3bmx n LEU 562 Cb 0.45 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3bmx n LEU 562 CO 0.56 0.67 0.00 -1.14 -1.33 0.00 0.00 177.39 176.15 3bmx n ARG 563 N -3.01 0.00 -2.36 3.23 0.63 -1.26 -0.49 116.66 113.41 3bmx n ARG 563 Ca -0.36 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.16 3bmx n ARG 563 Cb 1.08 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.96 3bmx n ARG 563 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3bmx s ASN 564 N 0.66 7.09 0.00 6.15 0.01 -0.87 -4.20 114.94 123.77 3bmx s ASN 564 Ca 0.00 2.33 0.28 0.00 -0.71 0.00 0.00 52.86 54.76 3bmx s ASN 564 Cb 0.00 -2.62 1.51 0.00 0.41 0.00 0.00 41.25 40.55 3bmx s ASN 564 CO 0.00 -0.32 1.97 -0.81 -1.51 0.00 0.00 177.10 176.43 3bmx n PRO 565 N 1.72 0.61 0.28 -0.60 -0.04 -1.26 -3.80 135.00 131.91 3bmx n PRO 565 Ca 0.02 0.02 0.15 0.00 -0.04 0.00 0.00 63.50 63.64 3bmx n PRO 565 Cb 0.44 -1.50 0.82 0.00 -0.04 0.00 0.00 33.50 33.22 3bmx n PRO 565 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3bmx h TYR 566 N 0.00 0.00 0.00 0.54 0.05 -1.93 -1.25 116.97 114.38 3bmx h TYR 566 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3bmx h TYR 566 Cb 0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 3bmx h TYR 566 CO 0.00 0.07 0.00 -0.40 -1.05 0.00 0.00 178.16 176.78 3bmx n ASP 567 N -3.56 0.04 0.06 3.88 5.75 -1.25 -2.28 116.55 119.20 3bmx n ASP 567 Ca -0.02 0.52 0.15 0.00 -0.01 0.00 0.00 54.79 55.42 3bmx n ASP 567 Cb 0.19 -0.52 0.63 0.00 -1.03 0.00 0.00 41.12 40.39 3bmx n ASP 567 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bmx h ALA 568 N 2.24 2.24 0.00 2.12 0.00 -1.53 -0.09 119.26 124.24 3bmx h ALA 568 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bmx h ALA 568 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3bmx h ALA 568 CO 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.91 3bmx n ALA 569 N -2.58 1.71 1.40 0.00 0.00 -0.97 -2.48 120.51 117.58 3bmx n ALA 569 Ca 0.06 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3bmx n ALA 569 Cb 0.40 -1.23 0.47 0.00 0.00 0.00 0.00 19.45 19.09 3bmx n ALA 569 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bmx n ASN 570 N -1.43 1.55 -2.67 0.00 3.02 -0.05 -4.39 115.26 111.30 3bmx n ASN 570 Ca 0.05 -1.58 -0.08 0.00 -0.03 0.00 0.00 54.58 52.94 3bmx n ASN 570 Cb 0.15 -0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.31 3bmx n ASN 570 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3bmx n PHE 571 N 0.22 1.50 0.30 3.10 3.72 -1.04 -4.88 117.46 120.40 3bmx n PHE 571 Ca 0.18 -2.54 0.17 0.00 -0.05 0.00 0.00 57.45 55.21 3bmx n PHE 571 Cb 0.34 -0.29 0.97 0.00 -0.94 0.00 0.00 39.48 39.56 3bmx n PHE 571 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3bmx h GLU 572 N 2.76 0.00 0.00 -1.08 5.08 -1.77 -1.67 114.58 117.91 3bmx h GLU 572 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3bmx h GLU 572 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3bmx h GLU 572 CO 0.43 0.02 0.00 0.93 -1.00 0.00 0.00 179.01 179.39 3bmx h GLU 573 N 0.00 0.00 -7.02 2.33 3.07 -1.96 -3.46 114.58 107.54 3bmx h GLU 573 Ca -0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 3bmx h GLU 573 Cb 0.07 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 28.06 3bmx h GLU 573 CO 0.00 0.00 0.50 0.00 -1.40 0.00 0.00 179.01 178.11 3bmx s ALA 574 N -3.34 2.92 -0.50 3.43 0.00 -0.63 -4.94 121.76 118.71 3bmx s ALA 574 Ca 0.05 0.99 0.23 0.00 0.00 0.00 0.00 51.96 53.23 3bmx s ALA 574 Cb 0.06 -3.41 0.20 0.00 0.00 0.00 0.00 23.12 19.98 3bmx s ALA 574 CO 0.63 -0.78 1.21 0.87 0.00 0.00 0.00 175.76 177.69 3bmx h LYS 575 N 1.88 0.00 -3.38 0.00 1.57 -1.89 -3.46 116.57 111.29 3bmx h LYS 575 Ca -0.50 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 57.98 3bmx h LYS 575 Cb 1.26 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.22 3bmx h LYS 575 CO 0.59 0.00 -0.70 0.00 -0.57 0.00 0.00 179.45 178.77 3bmx s ALA 576 N -3.24 0.04 -0.10 3.86 0.00 -1.25 -0.45 121.76 120.62 3bmx s ALA 576 Ca 0.04 0.37 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 3bmx s ALA 576 Cb 0.12 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.85 3bmx s ALA 576 CO 0.75 -0.26 0.23 -1.17 0.00 0.00 0.00 175.76 175.31 3bmx s LEU 577 N 1.48 0.50 0.11 0.00 1.98 0.01 -1.65 118.68 121.11 3bmx s LEU 577 Ca -0.04 0.48 0.03 0.00 -2.89 0.00 0.00 54.13 51.71 3bmx s LEU 577 Cb -0.12 0.67 -0.04 0.00 0.66 0.00 0.00 46.19 47.36 3bmx s LEU 577 CO -0.04 -0.16 -0.09 0.27 -1.89 0.00 0.00 176.35 174.44 3bmx s ILE 578 N 1.19 0.93 -0.04 6.68 -4.36 -0.23 -1.09 121.20 124.28 3bmx s ILE 578 Ca -0.09 -1.85 0.06 0.00 -0.26 0.00 0.00 60.65 58.52 3bmx s ILE 578 Cb -0.10 -1.59 -0.01 0.00 1.25 0.00 0.00 42.46 42.01 3bmx s ILE 578 CO -0.08 -0.71 -0.23 0.00 0.24 0.00 0.00 174.94 174.17 3bmx s ALA 579 N -3.04 1.95 -0.06 2.27 0.00 0.12 -0.63 121.76 122.37 3bmx s ALA 579 Ca 0.10 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3bmx s ALA 579 Cb 0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 3bmx s ALA 579 CO -0.01 0.41 0.06 1.33 0.00 0.00 0.00 175.76 177.54 3bmx n VAL 580 N 2.82 0.00 -2.43 0.00 0.24 -0.63 -1.35 118.33 116.99 3bmx n VAL 580 Ca -0.17 -0.44 -0.17 0.00 -2.04 0.00 0.00 64.34 61.52 3bmx n VAL 580 Cb 0.52 0.97 -0.00 0.00 -1.47 0.00 0.00 33.84 33.86 3bmx n VAL 580 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3bmx n TYR 581 N -1.06 -0.96 -3.65 6.34 4.01 -1.25 -4.83 117.16 115.76 3bmx n TYR 581 Ca 0.00 0.08 -0.00 0.00 -0.16 0.00 0.00 57.90 57.82 3bmx n TYR 581 Cb 0.02 -3.52 -0.06 0.00 -0.31 0.00 0.00 39.34 35.46 3bmx n TYR 581 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3bmx s GLY 582 N -2.32 0.29 0.00 2.72 0.00 0.36 -4.66 107.32 103.71 3bmx s GLY 582 Ca 0.04 3.46 0.10 0.00 0.00 0.00 0.00 44.72 48.32 3bmx s GLY 582 CO 0.06 2.64 0.44 1.97 0.00 0.00 0.00 173.10 178.20 3bmx n PHE 583 N 3.33 0.00 -2.42 1.90 1.16 -0.70 -4.13 117.46 116.61 3bmx n PHE 583 Ca -0.18 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.03 3bmx n PHE 583 Cb 0.57 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.41 3bmx n PHE 583 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3bmx s LYS 584 N -1.88 4.15 0.00 3.97 1.02 -1.26 -4.82 119.74 120.92 3bmx s LYS 584 Ca 0.04 1.69 0.00 0.00 0.02 0.00 0.00 55.97 57.73 3bmx s LYS 584 Cb 0.08 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 3bmx s LYS 584 CO 0.39 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 3bmx n GLY 585 N 0.57 3.09 3.19 -3.33 0.00 -1.26 -3.91 105.19 103.54 3bmx n GLY 585 Ca 0.04 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 3bmx n GLY 585 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bmx s TYR 586 N 3.78 2.59 -0.11 1.61 6.14 -0.13 -0.53 117.35 130.71 3bmx s TYR 586 Ca 0.00 -1.21 -0.13 0.00 0.64 0.00 0.00 57.07 56.37 3bmx s TYR 586 Cb 0.00 -1.75 0.03 0.00 0.42 0.00 0.00 41.96 40.66 3bmx s TYR 586 CO 0.00 -0.53 0.36 0.00 0.64 0.00 0.00 175.55 176.02 3bmx s ALA 587 N 0.62 -0.90 -1.60 3.97 0.00 -0.50 -4.56 121.76 118.79 3bmx s ALA 587 Ca -0.12 0.89 -0.13 0.00 0.00 0.00 0.00 51.96 52.60 3bmx s ALA 587 Cb -0.17 -0.45 0.11 0.00 0.00 0.00 0.00 23.12 22.61 3bmx s ALA 587 CO 0.03 -0.20 0.75 0.09 0.00 0.00 0.00 175.76 176.44 3bmx n ASN 588 N 2.51 -2.98 -0.01 0.00 3.02 -1.26 -1.25 115.26 115.29 3bmx n ASN 588 Ca -0.15 -0.96 -0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3bmx n ASN 588 Cb 0.57 -3.08 -0.00 0.00 -0.61 0.00 0.00 39.78 36.66 3bmx n ASN 588 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bmx n GLY 589 N -1.59 0.40 3.08 7.41 0.00 -1.26 -5.01 105.19 108.22 3bmx n GLY 589 Ca -0.02 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 3bmx n GLY 589 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bmx s ARG 590 N -0.51 1.75 -0.12 1.61 3.52 -0.38 -5.10 118.95 119.72 3bmx s ARG 590 Ca 0.00 -0.51 -0.29 0.00 -0.13 0.00 0.00 55.73 54.79 3bmx s ARG 590 Cb 0.00 -1.47 -0.02 0.00 -1.56 0.00 0.00 34.95 31.90 3bmx s ARG 590 CO 0.00 0.14 1.21 0.71 -0.81 0.00 0.00 175.30 176.55 3bmx s TYR 591 N 0.33 3.04 -0.65 5.12 1.51 -1.26 -1.41 117.35 124.03 3bmx s TYR 591 Ca -0.09 1.14 0.25 0.00 -1.01 0.00 0.00 57.07 57.35 3bmx s TYR 591 Cb -0.13 -3.45 0.44 0.00 -0.11 0.00 0.00 41.96 38.71 3bmx s TYR 591 CO 0.03 -1.42 1.42 -0.07 -1.11 0.00 0.00 175.55 174.41 3bmx h LEU 592 N 9.04 0.00 -7.34 -1.29 3.38 -1.07 -3.46 115.31 114.57 3bmx h LEU 592 Ca -0.29 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 3bmx h LEU 592 Cb 1.12 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 3bmx h LEU 592 CO 0.93 0.08 -0.06 -1.10 0.09 0.00 0.00 178.44 178.38 3bmx s GLN 593 N -3.16 1.01 0.00 1.13 -0.21 -1.25 -4.89 119.66 112.29 3bmx s GLN 593 Ca 0.07 -0.49 0.25 0.00 0.02 0.00 0.00 55.36 55.21 3bmx s GLN 593 Cb 0.13 0.45 0.54 0.00 1.00 0.00 0.00 33.01 35.13 3bmx s GLN 593 CO 0.69 -0.38 1.43 -0.35 -2.12 0.00 0.00 175.29 174.57 3bmx n PRO 594 N 0.15 1.11 -0.04 2.91 -0.04 -1.26 -4.56 135.00 133.27 3bmx n PRO 594 Ca -0.17 -0.77 -0.13 0.00 -0.04 0.00 0.00 63.50 62.39 3bmx n PRO 594 Cb 0.62 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.52 3bmx n PRO 594 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3bmx h ASN 595 N 1.87 0.27 -0.14 3.54 4.21 -1.88 -1.37 115.58 122.08 3bmx h ASN 595 Ca 0.00 -0.46 -0.00 0.00 1.21 0.00 0.00 56.30 57.04 3bmx h ASN 595 Cb 0.60 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 3bmx h ASN 595 CO 0.00 0.68 0.07 0.40 -1.29 0.00 0.00 177.43 177.29 3bmx h ILE 596 N -0.13 1.11 -0.96 2.81 2.04 -1.80 -1.09 117.51 119.49 3bmx h ILE 596 Ca 0.02 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.59 3bmx h ILE 596 Cb 0.59 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 3bmx h ILE 596 CO 0.02 0.11 0.63 -0.65 0.00 0.00 0.00 178.15 178.26 3bmx h PRO 597 N 0.10 1.15 -0.83 2.37 0.11 -1.82 -0.72 132.00 132.36 3bmx h PRO 597 Ca 0.05 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.13 3bmx h PRO 597 Cb 0.11 -0.26 -0.05 0.00 0.11 0.00 0.00 31.00 30.90 3bmx h PRO 597 CO -0.01 0.76 0.53 0.00 -0.21 0.00 0.00 178.00 179.07 3bmx h ALA 598 N 1.45 1.10 -0.49 -0.75 0.00 -0.81 0.29 119.26 120.05 3bmx h ALA 598 Ca 0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3bmx h ALA 598 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3bmx h ALA 598 CO -0.13 0.33 0.20 0.78 0.00 0.00 0.00 179.25 180.43 3bmx h GLY 599 N 1.01 0.78 1.06 0.00 0.00 -0.37 -1.78 103.07 103.77 3bmx h GLY 599 Ca 0.34 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 3bmx h GLY 599 CO -0.13 0.40 0.18 -2.08 0.00 0.00 0.00 176.54 174.91 3bmx h VAL 600 N 0.64 1.26 -0.85 4.60 2.07 -0.72 -0.13 116.25 123.13 3bmx h VAL 600 Ca 0.16 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3bmx h VAL 600 Cb 0.19 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3bmx h VAL 600 CO -0.01 0.37 0.53 0.24 0.02 0.00 0.00 177.57 178.72 3bmx h MET 601 N 1.09 1.14 -0.44 1.57 2.86 -0.80 -1.73 114.93 118.62 3bmx h MET 601 Ca 0.23 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3bmx h MET 601 Cb 0.36 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3bmx h MET 601 CO 0.00 0.78 0.16 0.00 1.06 0.00 0.00 176.91 178.91 3bmx h ALA 602 N 1.29 0.57 -0.99 6.32 0.00 -0.81 0.11 119.26 125.75 3bmx h ALA 602 Ca 0.31 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3bmx h ALA 602 Cb -0.08 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 3bmx h ALA 602 CO -0.06 0.19 0.64 0.82 0.00 0.00 0.00 179.25 180.84 3bmx h ILE 603 N 0.56 1.02 -0.55 0.00 2.04 -0.51 -1.92 117.51 118.16 3bmx h ILE 603 Ca 0.14 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3bmx h ILE 603 Cb 0.22 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 3bmx h ILE 603 CO -0.01 0.20 0.00 0.49 0.00 0.00 0.00 178.15 178.83 3bmx n PHE 604 N -4.54 1.15 -1.16 1.37 3.72 -0.70 -0.45 117.46 116.86 3bmx n PHE 604 Ca 0.16 -0.47 -0.03 0.00 -0.05 0.00 0.00 57.45 57.06 3bmx n PHE 604 Cb 0.25 -0.17 -0.01 0.00 -0.94 0.00 0.00 39.48 38.61 3bmx n PHE 604 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bmx n GLY 605 N 1.10 0.58 0.83 1.37 0.00 -0.72 -4.83 105.19 103.52 3bmx n GLY 605 Ca 0.21 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 45.38 3bmx n GLY 605 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bmx n GLN 606 N -2.79 2.27 -3.64 1.61 1.13 0.31 -4.96 117.38 111.31 3bmx n GLN 606 Ca -0.03 -2.01 -0.12 0.00 -1.94 0.00 0.00 57.00 52.90 3bmx n GLN 606 Cb 0.13 -1.36 -0.06 0.00 0.11 0.00 0.00 30.24 29.06 3bmx n GLN 606 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3bmx s ALA 607 N -1.12 -1.05 -0.42 -1.58 0.00 -1.19 -4.87 121.76 111.52 3bmx s ALA 607 Ca 0.29 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 3bmx s ALA 607 Cb 0.16 0.44 0.11 0.00 0.00 0.00 0.00 23.12 23.84 3bmx s ALA 607 CO 0.22 -0.51 0.20 0.21 0.00 0.00 0.00 175.76 175.88 3bmx s LYS 608 N -2.80 1.95 0.40 0.00 2.20 -1.26 -4.43 119.74 115.81 3bmx s LYS 608 Ca -0.03 -1.93 -0.26 0.00 -0.36 0.00 0.00 55.97 53.38 3bmx s LYS 608 Cb -0.00 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.71 3bmx s LYS 608 CO -0.05 -1.06 1.35 -2.14 -0.36 0.00 0.00 175.35 173.09 3bmx s PRO 609 N 0.92 3.96 -0.02 4.03 0.02 -1.26 -4.46 135.00 138.19 3bmx s PRO 609 Ca 0.10 2.26 0.03 0.00 0.02 0.00 0.00 61.00 63.42 3bmx s PRO 609 Cb -0.22 -2.79 0.05 0.00 0.02 0.00 0.00 34.50 31.57 3bmx s PRO 609 CO -0.05 -0.54 0.86 1.63 -0.33 0.00 0.00 177.00 178.58 3bmx n LYS 610 N 0.16 1.02 -2.75 5.54 5.02 -0.23 -4.74 118.16 122.18 3bmx n LYS 610 Ca 0.03 -1.25 -0.33 0.00 -2.02 0.00 0.00 58.31 54.74 3bmx n LYS 610 Cb 0.43 -0.81 -0.06 0.00 -0.02 0.00 0.00 35.03 34.56 3bmx n LYS 610 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3bmx s GLY 611 N -1.01 2.30 0.04 0.72 0.00 -0.45 -4.83 107.32 104.09 3bmx s GLY 611 Ca 0.06 0.30 0.04 0.00 0.00 0.00 0.00 44.72 45.12 3bmx s GLY 611 CO 0.01 0.57 -0.12 -0.51 0.00 0.00 0.00 173.10 173.05 3bmx s THR 612 N -2.27 0.93 0.21 0.90 -4.23 -0.66 -4.43 115.64 106.08 3bmx s THR 612 Ca 0.60 -0.96 -0.32 0.00 -1.18 0.00 0.00 61.69 59.83 3bmx s THR 612 Cb -0.09 -0.87 -0.13 0.00 1.34 0.00 0.00 72.50 72.75 3bmx s THR 612 CO 0.18 -0.07 1.62 0.18 -0.54 0.00 0.00 174.62 175.99 3bmx n LEU 613 N 1.88 3.63 -1.03 4.79 4.77 -0.01 -4.23 117.00 126.81 3bmx n LEU 613 Ca -0.19 1.09 0.11 0.00 -0.03 0.00 0.00 56.01 56.99 3bmx n LEU 613 Cb 0.55 -1.51 0.26 0.00 -2.33 0.00 0.00 43.42 40.39 3bmx n LEU 613 CO 0.23 -0.06 0.73 -0.81 -1.33 0.00 0.00 177.39 176.14 3bmx n PRO 614 N 3.32 2.33 -4.12 3.23 -0.04 -1.26 -0.51 135.00 137.95 3bmx n PRO 614 Ca 0.15 -2.02 -0.09 0.00 -0.04 0.00 0.00 63.50 61.49 3bmx n PRO 614 Cb 0.33 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 3bmx n PRO 614 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3bmx s VAL 615 N -1.46 0.44 0.32 0.52 -7.23 -1.26 -1.74 120.40 109.99 3bmx s VAL 615 Ca 0.38 -1.78 -0.27 0.00 -1.81 0.00 0.00 61.98 58.50 3bmx s VAL 615 Cb 0.21 -1.48 -0.09 0.00 0.56 0.00 0.00 36.38 35.58 3bmx s VAL 615 CO 0.29 -0.89 1.01 -1.81 -0.31 0.00 0.00 175.10 173.40 3bmx s ASP 616 N -2.83 7.22 -0.40 4.85 -0.00 -1.26 -3.47 116.67 120.78 3bmx s ASP 616 Ca 0.07 2.02 -0.11 0.00 -0.00 0.00 0.00 52.55 54.53 3bmx s ASP 616 Cb 0.05 -2.60 0.05 0.00 -0.00 0.00 0.00 42.92 40.42 3bmx s ASP 616 CO -0.07 -0.16 0.24 -0.63 -0.00 0.00 0.00 175.17 174.56 3bmx s ILE 617 N -1.44 4.55 0.53 0.77 -1.09 0.28 -4.92 121.20 119.87 3bmx s ILE 617 Ca 0.49 -1.03 -0.22 0.00 -2.23 0.00 0.00 60.65 57.66 3bmx s ILE 617 Cb -0.24 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 3bmx s ILE 617 CO 0.30 -0.35 1.30 -2.84 -1.23 0.00 0.00 174.94 172.13 3bmx s PRO 618 N 1.53 3.28 0.30 2.79 0.02 -1.26 -0.82 135.00 140.83 3bmx s PRO 618 Ca 0.02 2.10 -0.29 0.00 0.02 0.00 0.00 61.00 62.85 3bmx s PRO 618 Cb -0.21 -2.27 -0.10 0.00 0.02 0.00 0.00 34.50 31.94 3bmx s PRO 618 CO 0.05 -1.04 1.19 0.45 -0.33 0.00 0.00 177.00 177.32 3bmx s SER 619 N -1.09 7.07 -0.14 2.53 0.15 0.10 -4.49 113.70 117.83 3bmx s SER 619 Ca 0.70 2.44 -0.03 0.00 0.70 0.00 0.00 55.95 59.76 3bmx s SER 619 Cb -0.37 -2.64 -0.24 0.00 -1.71 0.00 0.00 66.02 61.06 3bmx s SER 619 CO 0.44 -0.30 0.30 0.52 1.20 0.00 0.00 173.24 175.39 3bmx n VAL 620 N 1.08 1.71 0.30 4.45 0.31 -1.26 -4.29 118.33 120.63 3bmx n VAL 620 Ca -0.01 -0.66 0.12 0.00 -0.01 0.00 0.00 64.34 63.78 3bmx n VAL 620 Cb 0.44 -1.59 0.20 0.00 -0.91 0.00 0.00 33.84 31.98 3bmx n VAL 620 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3bmx h THR 621 N 0.05 0.00 -2.47 2.52 1.35 -1.84 -3.37 112.91 109.15 3bmx h THR 621 Ca -0.44 -0.88 -0.59 0.00 -0.55 0.00 0.00 66.41 63.95 3bmx h THR 621 Cb 2.02 1.81 -0.40 0.00 -1.73 0.00 0.00 68.15 69.85 3bmx h THR 621 CO 0.06 0.00 -0.82 0.29 -0.25 0.00 0.00 175.52 174.80 3bmx n LYS 622 N -2.86 1.18 -1.71 4.72 5.02 -1.26 -4.11 118.16 119.14 3bmx n LYS 622 Ca 0.04 -3.83 -0.43 0.00 -2.02 0.00 0.00 58.31 52.07 3bmx n LYS 622 Cb 0.51 -1.86 -0.01 0.00 -0.02 0.00 0.00 35.03 33.65 3bmx n LYS 622 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3bmx n PRO 623 N 1.96 2.23 -0.03 1.97 -0.02 -1.26 -1.90 135.00 137.95 3bmx n PRO 623 Ca 0.25 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3bmx n PRO 623 Cb 0.44 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3bmx n PRO 623 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bmx n GLY 624 N 1.07 0.79 3.74 -1.23 0.00 -1.26 -5.05 105.19 103.24 3bmx n GLY 624 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3bmx n GLY 624 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bmx s ASN 625 N -2.59 5.17 -0.19 1.61 -0.87 -0.80 -5.03 114.94 112.24 3bmx s ASN 625 Ca 0.00 -0.26 -0.17 0.00 -1.57 0.00 0.00 52.86 50.86 3bmx s ASN 625 Cb 0.00 -1.24 -0.04 0.00 -0.02 0.00 0.00 41.25 39.95 3bmx s ASN 625 CO 0.00 0.08 0.45 -0.89 -2.57 0.00 0.00 177.10 174.16 3bmx s THR 626 N -1.76 5.17 -0.12 1.60 2.01 -1.26 -0.72 115.64 120.55 3bmx s THR 626 Ca 0.29 0.81 -0.25 0.00 0.31 0.00 0.00 61.69 62.85 3bmx s THR 626 Cb -0.10 -3.77 -0.22 0.00 0.01 0.00 0.00 72.50 68.41 3bmx s THR 626 CO 0.21 0.23 0.74 0.25 -0.69 0.00 0.00 174.62 175.37 3bmx h LEU 627 N 7.66 -0.01 -7.80 4.42 5.85 -1.21 -3.44 115.31 120.78 3bmx h LEU 627 Ca -0.36 -0.82 -0.53 0.00 0.84 0.00 0.00 57.88 57.01 3bmx h LEU 627 Cb 1.16 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.84 3bmx h LEU 627 CO 0.73 0.87 -0.81 -0.31 -0.34 0.00 0.00 178.44 178.58 3bmx s TYR 628 N -2.39 1.54 0.48 1.25 2.02 -1.07 -5.01 117.35 114.16 3bmx s TYR 628 Ca -0.17 -0.73 -0.11 0.00 -0.37 0.00 0.00 57.07 55.69 3bmx s TYR 628 Cb -0.02 -1.22 -0.06 0.00 -0.40 0.00 0.00 41.96 40.26 3bmx s TYR 628 CO 0.61 -0.46 0.87 -1.25 -1.57 0.00 0.00 175.55 173.75 3bmx s PRO 629 N 1.38 3.76 0.01 -1.71 0.04 -1.26 -0.56 135.00 136.66 3bmx s PRO 629 Ca -0.01 0.59 -0.38 0.00 0.04 0.00 0.00 61.00 61.25 3bmx s PRO 629 Cb -0.14 -2.28 -0.17 0.00 0.04 0.00 0.00 34.50 31.96 3bmx s PRO 629 CO -0.05 -0.20 1.39 -0.11 0.04 0.00 0.00 177.00 178.07 3bmx n LEU 630 N -1.73 1.63 0.00 -3.56 0.00 -1.23 -1.54 117.00 110.57 3bmx n LEU 630 Ca 0.04 1.12 0.00 0.00 0.00 0.00 0.00 56.01 57.16 3bmx n LEU 630 Cb 0.54 -1.15 0.00 0.00 0.00 0.00 0.00 43.42 42.81 3bmx n LEU 630 CO 0.50 -1.01 0.00 0.61 0.00 0.00 0.00 177.39 177.49 3bmx n GLY 631 N 2.75 0.16 3.74 -3.96 0.00 0.34 -4.95 105.19 103.26 3bmx n GLY 631 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3bmx n GLY 631 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bmx s TYR 632 N -2.00 3.74 -0.22 1.61 5.04 -0.59 -4.57 117.35 120.36 3bmx s TYR 632 Ca 0.00 1.56 -0.28 0.00 -2.44 0.00 0.00 57.07 55.91 3bmx s TYR 632 Cb 0.00 -2.91 0.15 0.00 0.35 0.00 0.00 41.96 39.55 3bmx s TYR 632 CO 0.00 0.22 1.13 0.20 -1.34 0.00 0.00 175.55 175.75 3bmx s GLY 633 N 0.12 -0.11 0.11 8.97 0.00 -1.26 -0.83 107.32 114.32 3bmx s GLY 633 Ca 0.42 2.47 0.04 0.00 0.00 0.00 0.00 44.72 47.65 3bmx s GLY 633 CO 0.25 1.28 0.05 1.08 0.00 0.00 0.00 173.10 175.76 3bmx s LEU 634 N -0.73 3.63 -0.15 0.66 1.43 0.32 -0.61 118.68 123.22 3bmx s LEU 634 Ca 0.02 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 3bmx s LEU 634 Cb -0.02 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 3bmx s LEU 634 CO -0.04 0.15 1.15 0.21 0.23 0.00 0.00 176.35 178.06 3bmx s ASN 635 N -2.54 7.05 0.56 2.29 3.84 0.30 -4.41 114.94 122.03 3bmx s ASN 635 Ca 0.28 1.61 0.34 0.00 0.21 0.00 0.00 52.86 55.30 3bmx s ASN 635 Cb -0.11 -2.55 1.49 0.00 -0.55 0.00 0.00 41.25 39.53 3bmx s ASN 635 CO 0.21 -0.66 2.03 -0.29 -2.79 0.00 0.00 177.10 175.60 3bmx h ILE 636 N 5.33 0.05 0.04 -5.21 2.10 -1.89 -0.10 117.51 117.84 3bmx h ILE 636 Ca -0.27 -0.48 -0.38 0.00 1.08 0.00 0.00 64.86 64.82 3bmx h ILE 636 Cb 1.11 1.45 -0.05 0.00 -1.09 0.00 0.00 36.82 38.24 3bmx h ILE 636 CO 0.94 0.02 -2.21 0.29 -1.08 0.00 0.00 178.15 176.11 3bmx n LYS 637 N -3.13 0.67 -0.01 2.19 5.02 -1.26 -4.62 118.16 117.03 3bmx n LYS 637 Ca -0.00 0.25 0.10 0.00 -2.02 0.00 0.00 58.31 56.64 3bmx n LYS 637 Cb 0.28 -1.60 -0.14 0.00 -0.02 0.00 0.00 35.03 33.54 3bmx n LYS 637 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3bmx n THR 638 N -3.59 0.00 -0.79 -0.18 -2.24 -1.18 -4.97 114.28 101.34 3bmx n THR 638 Ca -0.41 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3bmx n THR 638 Cb 0.97 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 3bmx n THR 638 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bmx n GLY 639 N 1.38 1.02 3.82 3.38 0.00 -0.06 -5.00 105.19 109.73 3bmx n GLY 639 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3bmx n GLY 639 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bmx s ARG 640 N -0.16 4.24 0.58 1.61 1.70 -1.26 -4.71 118.95 120.95 3bmx s ARG 640 Ca 0.00 1.06 -0.20 0.00 -0.47 0.00 0.00 55.73 56.12 3bmx s ARG 640 Cb 0.00 -2.33 -0.04 0.00 -0.57 0.00 0.00 34.95 32.01 3bmx s ARG 640 CO 0.00 0.06 1.28 -2.14 -1.08 0.00 0.00 175.30 173.41 3bmx s PRO 641 N -2.95 3.01 0.00 3.89 0.02 -1.26 -0.54 135.00 137.16 3bmx s PRO 641 Ca 0.58 2.02 0.32 0.00 0.02 0.00 0.00 61.00 63.94 3bmx s PRO 641 Cb -0.11 -2.07 1.91 0.00 0.02 0.00 0.00 34.50 34.25 3bmx s PRO 641 CO 0.15 -1.23 2.23 1.28 -0.33 0.00 0.00 177.00 179.10