#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgx s ALA 2 N 0.00 3.29 0.28 0.00 0.00 -1.26 -4.95 121.76 119.12 1sgx s ALA 2 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 1sgx s ALA 2 Cb 0.00 -2.92 -0.11 0.00 0.00 0.00 0.00 23.12 20.10 1sgx s ALA 2 CO 0.00 0.27 1.49 -1.17 0.00 0.00 0.00 175.76 176.35 1sgx s LEU 3 N -2.49 4.37 0.02 0.00 2.96 -1.26 -4.96 118.68 117.32 1sgx s LEU 3 Ca 0.51 2.80 -0.21 0.00 -0.22 0.00 0.00 54.13 57.01 1sgx s LEU 3 Cb -0.14 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 42.96 1sgx s LEU 3 CO 0.19 -0.78 0.47 -0.83 -1.32 0.00 0.00 176.35 174.08 1sgx s GLY 4 N 0.31 -0.35 0.04 7.98 0.00 -1.26 -4.91 107.32 109.12 1sgx s GLY 4 Ca 0.59 0.54 -0.22 0.00 0.00 0.00 0.00 44.72 45.64 1sgx s GLY 4 CO 0.47 0.26 0.66 0.14 0.00 0.00 0.00 173.10 174.64 1sgx s VAL 5 N -2.14 4.78 -0.25 1.40 1.01 -1.26 -0.97 120.40 122.97 1sgx s VAL 5 Ca -0.07 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.35 1sgx s VAL 5 Cb -0.01 -4.00 -0.18 0.00 0.00 0.00 0.00 36.38 32.18 1sgx s VAL 5 CO 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 175.10 175.37 1sgx n GLN 6 N 2.51 0.66 -3.44 2.72 6.02 0.83 -4.89 117.38 121.80 1sgx n GLN 6 Ca -0.06 0.14 -0.13 0.00 -0.01 0.00 0.00 57.00 56.94 1sgx n GLN 6 Cb 0.50 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 1sgx n GLN 6 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1sgx s SER 7 N -6.42 -0.57 -0.02 1.08 1.04 -1.02 -5.03 113.70 102.77 1sgx s SER 7 Ca -0.31 0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.23 1sgx s SER 7 Cb 0.09 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1sgx s SER 7 CO 0.64 -0.90 -0.09 -0.51 0.98 0.00 0.00 173.24 173.36 1sgx s ILE 8 N -3.38 0.75 -0.33 -1.02 2.07 -1.26 -0.76 121.20 117.27 1sgx s ILE 8 Ca -0.00 -0.36 -0.05 0.00 -1.41 0.00 0.00 60.65 58.83 1sgx s ILE 8 Cb -0.01 -0.66 0.04 0.00 0.13 0.00 0.00 42.46 41.96 1sgx s ILE 8 CO -0.10 0.23 0.08 0.21 -1.91 0.00 0.00 174.94 173.46 1sgx s ASN 9 N 0.10 5.22 0.00 4.50 3.84 0.17 -4.97 114.94 123.80 1sgx s ASN 9 Ca -0.01 -1.20 0.25 0.00 0.21 0.00 0.00 52.86 52.10 1sgx s ASN 9 Cb -0.07 -1.83 1.09 0.00 -0.55 0.00 0.00 41.25 39.88 1sgx s ASN 9 CO 0.00 -0.32 1.80 0.79 -2.79 0.00 0.00 177.10 176.58 1sgx n TRP 10 N 4.76 0.00 -4.01 0.43 7.02 -1.26 -1.00 117.44 123.38 1sgx n TRP 10 Ca -0.12 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.04 1sgx n TRP 10 Cb 0.44 -0.47 -0.02 0.00 -2.42 0.00 0.00 31.31 28.84 1sgx n TRP 10 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1sgx n GLN 11 N -1.47 -1.89 -0.16 -0.99 6.02 -1.26 -4.73 117.38 112.90 1sgx n GLN 11 Ca 0.07 0.28 -0.03 0.00 -0.01 0.00 0.00 57.00 57.31 1sgx n GLN 11 Cb 0.28 -3.91 0.06 0.00 1.02 0.00 0.00 30.24 27.69 1sgx n GLN 11 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1sgx h THR 12 N -1.97 0.82 -0.28 5.09 2.02 -1.92 -1.09 112.91 115.59 1sgx h THR 12 Ca -0.66 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 1sgx h THR 12 Cb 1.38 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1sgx h THR 12 CO 0.60 0.06 0.08 0.00 0.37 0.00 0.00 175.52 176.63 1sgx h ALA 13 N 1.34 0.37 0.14 6.16 0.00 -1.98 0.03 119.26 125.31 1sgx h ALA 13 Ca 0.24 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1sgx h ALA 13 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1sgx h ALA 13 CO -0.25 0.01 -0.10 0.35 0.00 0.00 0.00 179.25 179.26 1sgx h PHE 14 N 0.29 -0.27 -0.49 0.00 3.04 -1.87 -0.29 116.94 117.35 1sgx h PHE 14 Ca 0.09 -0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.94 1sgx h PHE 14 Cb 0.26 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.86 1sgx h PHE 14 CO 0.01 -0.16 -0.09 -0.91 -2.02 0.00 0.00 178.31 175.14 1sgx h ASN 15 N -0.25 0.92 -0.42 0.41 2.35 -1.18 -1.90 115.58 115.51 1sgx h ASN 15 Ca -0.01 -0.35 -0.05 0.00 -0.55 0.00 0.00 56.30 55.34 1sgx h ASN 15 Cb 0.22 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1sgx h ASN 15 CO -0.01 1.05 0.09 0.03 -1.65 0.00 0.00 177.43 176.95 1sgx h ARG 16 N 0.77 0.76 -0.15 0.81 3.08 -0.89 0.20 114.38 118.96 1sgx h ARG 16 Ca 0.13 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1sgx h ARG 16 Cb 0.63 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1sgx h ARG 16 CO 0.04 0.71 0.07 0.37 -1.07 0.00 0.00 179.97 180.09 1sgx h GLN 17 N 0.73 0.22 -0.33 0.04 4.15 -0.83 -0.29 115.11 118.81 1sgx h GLN 17 Ca 0.16 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.47 1sgx h GLN 17 Cb 0.31 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1sgx h GLN 17 CO 0.00 0.30 -0.10 0.00 -1.93 0.00 0.00 178.83 177.09 1sgx h ALA 18 N 0.92 1.20 -0.20 3.38 0.00 -0.89 -2.73 119.26 120.93 1sgx h ALA 18 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1sgx h ALA 18 Cb 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sgx h ALA 18 CO -0.01 0.52 0.00 0.72 0.00 0.00 0.00 179.25 180.48 1sgx n HIS 19 N -4.20 0.27 -3.84 0.00 8.25 0.66 -4.92 115.22 111.43 1sgx n HIS 19 Ca 0.01 -0.13 -0.27 0.00 -0.26 0.00 0.00 57.72 57.06 1sgx n HIS 19 Cb 0.32 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.46 1sgx n HIS 19 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1sgx n HIS 20 N 0.12 -2.21 -0.28 4.41 -0.00 -0.56 -4.68 115.22 112.02 1sgx n HIS 20 Ca 0.10 0.89 0.00 0.00 -0.00 0.00 0.00 57.72 58.71 1sgx n HIS 20 Cb 0.21 -4.15 0.00 0.00 -0.00 0.00 0.00 29.99 26.04 1sgx n HIS 20 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1sgx n THR 21 N -4.58 0.71 0.32 1.59 -2.24 -0.23 -4.79 114.28 105.06 1sgx n THR 21 Ca -0.07 -0.71 0.14 0.00 -2.27 0.00 0.00 64.05 61.14 1sgx n THR 21 Cb 0.58 0.65 0.64 0.00 -2.10 0.00 0.00 70.33 70.09 1sgx n THR 21 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1sgx h ASP 22 N 0.00 0.00 1.44 3.42 2.03 -1.86 -3.17 116.42 118.28 1sgx h ASP 22 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 1sgx h ASP 22 Cb 0.63 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.12 1sgx h ASP 22 CO 0.00 0.00 -0.28 0.11 -1.03 0.00 0.00 179.24 178.04 1sgx h LYS 23 N 0.00 0.00 -6.77 4.15 1.57 -1.92 -3.46 116.57 110.15 1sgx h LYS 23 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1sgx h LYS 23 Cb 0.30 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.68 1sgx h LYS 23 CO 0.00 0.28 0.84 -0.06 -0.57 0.00 0.00 179.45 179.94 1sgx s PHE 24 N -3.25 2.86 -0.86 -1.35 0.40 -1.20 -4.85 117.98 109.74 1sgx s PHE 24 Ca 0.04 0.85 -0.24 0.00 -0.60 0.00 0.00 56.93 56.98 1sgx s PHE 24 Cb 0.08 -3.98 0.05 0.00 0.51 0.00 0.00 43.02 39.68 1sgx s PHE 24 CO 0.69 -3.27 1.29 -1.12 0.70 0.00 0.00 175.22 173.50 1sgx s SER 25 N 0.48 6.35 -0.05 1.36 0.01 0.01 -4.87 113.70 116.98 1sgx s SER 25 Ca 0.62 -1.09 -0.29 0.00 1.31 0.00 0.00 55.95 56.50 1sgx s SER 25 Cb -0.46 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.35 1sgx s SER 25 CO 0.45 -1.57 0.91 -0.55 0.41 0.00 0.00 173.24 172.89 1sgx s SER 26 N 4.21 -0.38 -0.00 2.44 0.15 -1.26 -4.23 113.70 114.63 1sgx s SER 26 Ca 0.37 0.15 0.22 0.00 0.70 0.00 0.00 55.95 57.39 1sgx s SER 26 Cb -0.06 0.37 -0.21 0.00 -1.71 0.00 0.00 66.02 64.41 1sgx s SER 26 CO 0.02 -0.54 0.79 0.00 1.20 0.00 0.00 173.24 174.71 1sgx n GLN 27 N 0.09 0.26 -1.14 5.44 1.13 -1.26 -5.00 117.38 116.90 1sgx n GLN 27 Ca -0.10 -0.07 -0.32 0.00 -1.94 0.00 0.00 57.00 54.58 1sgx n GLN 27 Cb 0.60 -1.52 0.12 0.00 0.11 0.00 0.00 30.24 29.55 1sgx n GLN 27 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1sgx s GLU 28 N -3.20 1.82 -0.59 -1.09 2.02 -1.26 -4.96 118.70 111.45 1sgx s GLU 28 Ca 0.02 1.48 -0.24 0.00 0.02 0.00 0.00 54.97 56.25 1sgx s GLU 28 Cb 0.15 -1.82 0.05 0.00 0.10 0.00 0.00 34.13 32.60 1sgx s GLU 28 CO 0.87 -2.02 0.98 -1.17 0.02 0.00 0.00 175.26 173.94 1sgx s LEU 29 N -5.88 4.07 -0.25 1.80 2.96 -1.26 -5.00 118.68 115.11 1sgx s LEU 29 Ca 0.67 -0.46 -0.07 0.00 -0.22 0.00 0.00 54.13 54.05 1sgx s LEU 29 Cb -0.23 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.69 1sgx s LEU 29 CO 0.53 -1.32 0.06 -0.63 -1.32 0.00 0.00 176.35 173.66 1sgx s ILE 30 N 4.14 4.24 0.36 6.68 1.01 -1.26 -0.88 121.20 135.48 1sgx s ILE 30 Ca 0.30 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.80 1sgx s ILE 30 Cb -0.13 -2.98 -0.07 0.00 0.01 0.00 0.00 42.46 39.30 1sgx s ILE 30 CO 0.17 0.35 0.04 -0.76 0.00 0.00 0.00 174.94 174.75 1sgx s LEU 31 N 1.58 2.41 -0.04 2.97 1.43 0.13 -4.59 118.68 122.57 1sgx s LEU 31 Ca 0.06 -1.40 0.07 0.00 -1.03 0.00 0.00 54.13 51.83 1sgx s LEU 31 Cb -0.15 -0.56 -0.01 0.00 0.03 0.00 0.00 46.19 45.50 1sgx s LEU 31 CO 0.03 -0.58 -0.25 -0.13 0.23 0.00 0.00 176.35 175.65 1sgx s ARG 32 N -3.82 2.31 0.82 1.70 0.52 -1.26 0.01 118.95 119.23 1sgx s ARG 32 Ca 0.34 -0.89 -0.13 0.00 -0.52 0.00 0.00 55.73 54.53 1sgx s ARG 32 Cb 0.09 -2.06 0.07 0.00 0.52 0.00 0.00 34.95 33.56 1sgx s ARG 32 CO 0.16 0.45 1.02 2.89 0.02 0.00 0.00 175.30 179.84 1sgx n ARG 33 N 2.74 0.10 -1.20 3.54 1.85 -0.24 -3.39 116.66 120.07 1sgx n ARG 33 Ca -0.17 0.10 -0.07 0.00 -1.00 0.00 0.00 57.85 56.72 1sgx n ARG 33 Cb 0.52 -2.29 -0.03 0.00 -1.05 0.00 0.00 32.46 29.61 1sgx n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1sgx n GLY 34 N 0.78 0.83 3.00 2.89 0.00 -1.04 -4.62 105.19 107.03 1sgx n GLY 34 Ca 0.12 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 1sgx n GLY 34 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sgx s GLN 35 N -2.19 0.66 0.71 1.61 0.74 -1.22 -4.78 119.66 115.19 1sgx s GLN 35 Ca 0.00 -0.27 -0.14 0.00 0.05 0.00 0.00 55.36 55.00 1sgx s GLN 35 Cb 0.00 -0.64 0.03 0.00 1.10 0.00 0.00 33.01 33.50 1sgx s GLN 35 CO 0.00 0.15 1.14 -0.80 -0.55 0.00 0.00 175.29 175.23 1sgx s ASN 36 N -0.11 4.62 -0.10 6.67 0.02 -1.26 -4.30 114.94 120.49 1sgx s ASN 36 Ca 0.02 2.09 -0.13 0.00 -1.02 0.00 0.00 52.86 53.82 1sgx s ASN 36 Cb -0.04 -2.56 0.03 0.00 0.02 0.00 0.00 41.25 38.70 1sgx s ASN 36 CO -0.00 -1.96 0.34 0.72 0.02 0.00 0.00 177.10 176.22 1sgx s PHE 37 N -2.33 -0.33 -0.14 2.20 -0.71 -0.15 -4.97 117.98 111.55 1sgx s PHE 37 Ca 0.68 0.75 -0.04 0.00 -1.04 0.00 0.00 56.93 57.28 1sgx s PHE 37 Cb -0.23 0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.67 1sgx s PHE 37 CO 0.45 -0.24 0.01 -1.14 -1.34 0.00 0.00 175.22 172.95 1sgx s GLN 38 N -0.25 3.51 0.11 1.99 0.74 -1.26 -0.83 119.66 123.65 1sgx s GLN 38 Ca -0.04 -0.43 0.06 0.00 0.05 0.00 0.00 55.36 55.01 1sgx s GLN 38 Cb -0.03 -2.95 -0.03 0.00 1.10 0.00 0.00 33.01 31.09 1sgx s GLN 38 CO 0.02 0.42 -0.15 0.14 -0.55 0.00 0.00 175.29 175.17 1sgx s VAL 39 N -0.10 1.35 -0.20 1.34 -7.23 -0.12 -4.53 120.40 110.90 1sgx s VAL 39 Ca 0.04 -1.57 -0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1sgx s VAL 39 Cb -0.13 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 1sgx s VAL 39 CO 0.02 -0.29 -0.03 -0.76 -0.31 0.00 0.00 175.10 173.73 1sgx s LEU 40 N -2.16 3.04 -0.28 1.32 1.43 -0.17 -1.18 118.68 120.69 1sgx s LEU 40 Ca 0.05 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1sgx s LEU 40 Cb -0.07 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.42 1sgx s LEU 40 CO 0.03 0.03 -0.04 -0.32 0.23 0.00 0.00 176.35 176.28 1sgx s MET 41 N 1.19 2.53 -0.37 1.70 1.75 0.05 0.45 119.30 126.59 1sgx s MET 41 Ca 0.03 -1.18 -0.22 0.00 -1.25 0.00 0.00 55.69 53.06 1sgx s MET 41 Cb -0.14 -3.06 0.01 0.00 2.84 0.00 0.00 34.83 34.48 1sgx s MET 41 CO -0.00 -0.54 0.75 0.42 -0.65 0.00 0.00 175.02 175.00 1sgx s ILE 42 N 1.25 4.76 0.74 10.11 1.01 0.06 -0.80 121.20 138.33 1sgx s ILE 42 Ca -0.04 0.74 -0.01 0.00 0.00 0.00 0.00 60.65 61.34 1sgx s ILE 42 Cb -0.19 -4.19 0.14 0.00 0.01 0.00 0.00 42.46 38.23 1sgx s ILE 42 CO -0.03 -0.45 1.02 -0.04 0.00 0.00 0.00 174.94 175.44 1sgx s MET 43 N 3.03 1.57 0.27 2.79 -1.94 0.52 -0.12 119.30 125.43 1sgx s MET 43 Ca 0.29 -1.19 0.21 0.00 -1.71 0.00 0.00 55.69 53.29 1sgx s MET 43 Cb -0.13 -2.32 0.10 0.00 2.01 0.00 0.00 34.83 34.48 1sgx s MET 43 CO 0.17 -1.53 1.25 -2.95 -0.01 0.00 0.00 175.02 171.95 1sgx h ASN 44 N -0.58 0.00 -2.79 3.03 -1.07 -1.33 -3.42 115.58 109.41 1sgx h ASN 44 Ca -0.35 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 55.91 1sgx h ASN 44 Cb 1.26 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.49 1sgx h ASN 44 CO 0.38 0.13 0.02 2.29 0.07 0.00 0.00 177.43 180.33 1sgx n LYS 45 N -2.91 0.59 -2.70 4.14 2.85 -1.26 -5.03 118.16 113.83 1sgx n LYS 45 Ca 0.00 -1.68 -0.38 0.00 -1.05 0.00 0.00 58.31 55.20 1sgx n LYS 45 Cb 0.60 1.80 -0.06 0.00 -0.65 0.00 0.00 35.03 36.72 1sgx n LYS 45 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1sgx s GLY 46 N -2.40 2.93 -0.04 2.58 0.00 -1.26 -4.72 107.32 104.41 1sgx s GLY 46 Ca 0.15 0.63 -0.30 0.00 0.00 0.00 0.00 44.72 45.20 1sgx s GLY 46 CO 0.11 1.13 1.47 -2.27 0.00 0.00 0.00 173.10 173.54 1sgx s LEU 47 N -1.77 4.30 0.26 0.66 2.96 -1.26 -5.00 118.68 118.83 1sgx s LEU 47 Ca 0.47 2.10 -0.25 0.00 -0.22 0.00 0.00 54.13 56.24 1sgx s LEU 47 Cb -0.23 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.82 1sgx s LEU 47 CO 0.29 -0.79 0.87 -0.83 -1.32 0.00 0.00 176.35 174.56 1sgx s GLY 48 N 2.33 2.84 0.23 7.98 0.00 -1.26 -4.92 107.32 114.53 1sgx s GLY 48 Ca 0.66 0.44 0.17 0.00 0.00 0.00 0.00 44.72 45.98 1sgx s GLY 48 CO 0.26 0.90 1.51 -1.14 0.00 0.00 0.00 173.10 174.62 1sgx n SER 49 N 0.96 0.42 -0.78 1.64 3.41 -1.26 -0.54 113.62 117.47 1sgx n SER 49 Ca -0.01 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1sgx n SER 49 Cb 0.49 -0.74 0.09 0.00 -0.26 0.00 0.00 64.21 63.80 1sgx n SER 49 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sgx n ASN 50 N -2.05 2.59 -4.97 4.04 4.05 -1.26 -4.95 115.26 112.71 1sgx n ASN 50 Ca -0.00 -1.80 -0.21 0.00 0.45 0.00 0.00 54.58 53.01 1sgx n ASN 50 Cb 0.06 0.15 -0.01 0.00 1.23 0.00 0.00 39.78 41.20 1sgx n ASN 50 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1sgx s GLU 51 N -2.16 3.36 -0.01 1.20 2.02 0.30 -4.93 118.70 118.48 1sgx s GLU 51 Ca 0.25 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.47 1sgx s GLU 51 Cb 0.19 -2.83 -0.00 0.00 0.10 0.00 0.00 34.13 31.60 1sgx s GLU 51 CO 0.39 0.28 0.07 0.50 0.02 0.00 0.00 175.26 176.52 1sgx s ARG 52 N -4.10 0.26 -0.10 1.61 3.52 -0.94 -4.85 118.95 114.35 1sgx s ARG 52 Ca 0.38 -0.21 0.04 0.00 -0.13 0.00 0.00 55.73 55.81 1sgx s ARG 52 Cb -0.09 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 1sgx s ARG 52 CO 0.31 -0.05 -0.23 -0.51 -0.81 0.00 0.00 175.30 174.00 1sgx s LEU 53 N -0.74 2.07 -0.20 -0.88 1.43 -1.26 -0.69 118.68 118.42 1sgx s LEU 53 Ca -0.08 -0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1sgx s LEU 53 Cb -0.05 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.80 1sgx s LEU 53 CO 0.00 0.15 -0.15 -1.61 0.23 0.00 0.00 176.35 174.97 1sgx s GLU 54 N 0.39 3.02 0.18 1.70 0.41 0.13 -1.85 118.70 122.68 1sgx s GLU 54 Ca -0.18 -0.82 -0.20 0.00 -0.41 0.00 0.00 54.97 53.36 1sgx s GLU 54 Cb -0.18 -2.70 -0.08 0.00 -1.78 0.00 0.00 34.13 29.39 1sgx s GLU 54 CO 0.08 -0.24 0.69 -0.06 -0.49 0.00 0.00 175.26 175.24 1sgx s PHE 55 N 1.32 3.72 -0.13 1.61 0.40 0.14 -0.58 117.98 124.45 1sgx s PHE 55 Ca 0.04 1.38 -0.00 0.00 -0.60 0.00 0.00 56.93 57.75 1sgx s PHE 55 Cb -0.14 -2.60 0.03 0.00 0.51 0.00 0.00 43.02 40.82 1sgx s PHE 55 CO -0.10 0.42 -0.07 0.42 0.70 0.00 0.00 175.22 176.59 1sgx s ILE 56 N -1.39 1.05 -0.03 0.64 1.01 0.36 -1.13 121.20 121.71 1sgx s ILE 56 Ca 0.39 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.67 1sgx s ILE 56 Cb -0.18 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 1sgx s ILE 56 CO 0.21 0.28 -0.16 0.68 0.00 0.00 0.00 174.94 175.95 1sgx s VAL 57 N 1.68 2.91 0.01 2.92 -7.23 -0.29 0.58 120.40 120.99 1sgx s VAL 57 Ca 0.03 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 59.31 1sgx s VAL 57 Cb -0.14 -2.14 -0.00 0.00 0.56 0.00 0.00 36.38 34.66 1sgx s VAL 57 CO -0.08 0.56 0.13 -0.44 -0.31 0.00 0.00 175.10 174.95 1sgx s SER 58 N -0.82 0.05 -0.05 4.85 0.01 -0.12 -1.20 113.70 116.42 1sgx s SER 58 Ca 0.12 -0.25 -0.07 0.00 1.31 0.00 0.00 55.95 57.06 1sgx s SER 58 Cb -0.11 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.34 1sgx s SER 58 CO 0.01 -0.39 0.17 0.28 0.41 0.00 0.00 173.24 173.73 1sgx s THR 59 N -1.52 0.02 0.00 1.44 -1.32 -0.71 -0.49 115.64 113.05 1sgx s THR 59 Ca -0.14 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 1sgx s THR 59 Cb -0.07 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.61 1sgx s THR 59 CO 0.01 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 1sgx n GLY 60 N 2.62 -0.85 0.00 6.08 0.00 -1.26 -4.19 105.19 107.58 1sgx n GLY 60 Ca -0.15 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.32 1sgx n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sgx n PRO 61 N -0.98 0.19 -3.16 1.61 -0.04 -1.26 -4.11 135.00 127.25 1sgx n PRO 61 Ca 0.00 0.06 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 1sgx n PRO 61 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1sgx n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sgx n TYR 62 N -1.39 0.20 -1.68 0.54 4.01 -1.26 -5.07 117.16 112.51 1sgx n TYR 62 Ca 0.09 -3.75 -0.58 0.00 -0.16 0.00 0.00 57.90 53.50 1sgx n TYR 62 Cb 0.24 -0.40 -0.07 0.00 -0.31 0.00 0.00 39.34 38.80 1sgx n TYR 62 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1sgx n PRO 63 N 0.26 0.90 -4.10 -0.72 -0.02 -1.26 -4.95 135.00 125.11 1sgx n PRO 63 Ca 0.24 0.33 -0.23 0.00 -2.02 0.00 0.00 63.50 61.82 1sgx n PRO 63 Cb 0.67 -1.96 -0.17 0.00 -0.02 0.00 0.00 33.50 32.02 1sgx n PRO 63 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1sgx s SER 64 N 2.68 1.45 0.34 2.55 0.15 -1.26 -4.79 113.70 114.82 1sgx s SER 64 Ca 0.96 -0.18 0.05 0.00 0.70 0.00 0.00 55.95 57.48 1sgx s SER 64 Cb -1.13 -0.58 0.60 0.00 -1.71 0.00 0.00 66.02 63.20 1sgx s SER 64 CO 0.64 -0.08 1.86 -0.33 1.20 0.00 0.00 173.24 176.54 1sgx h GLU 65 N 7.57 0.50 -0.51 5.44 3.07 -1.91 0.75 114.58 129.49 1sgx h GLU 65 Ca -0.31 -0.11 -0.11 0.00 -0.50 0.00 0.00 59.36 58.32 1sgx h GLU 65 Cb 1.15 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.97 1sgx h GLU 65 CO 0.41 0.55 -0.11 0.77 -1.40 0.00 0.00 179.01 179.24 1sgx h SER 66 N 0.48 0.98 -0.02 1.42 0.02 -1.96 -2.62 113.55 111.85 1sgx h SER 66 Ca 0.10 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1sgx h SER 66 Cb 0.36 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1sgx h SER 66 CO 0.01 1.11 0.00 0.00 -1.14 0.00 0.00 176.83 176.81 1sgx n ALA 67 N -2.49 2.63 -1.82 3.77 0.00 -1.03 -4.90 120.51 116.68 1sgx n ALA 67 Ca 0.01 -0.30 -0.17 0.00 0.00 0.00 0.00 53.44 52.98 1sgx n ALA 67 Cb 0.40 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 1sgx n ALA 67 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1sgx n MET 68 N -0.47 -1.23 -0.26 0.00 0.00 -0.51 -4.77 117.12 109.89 1sgx n MET 68 Ca 0.21 0.98 0.12 0.00 0.00 0.00 0.00 57.70 59.00 1sgx n MET 68 Cb 0.21 -5.27 0.27 0.00 0.00 0.00 0.00 33.22 28.42 1sgx n MET 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1sgx n THR 69 N -3.11 0.69 -3.71 2.03 -2.24 0.14 -4.60 114.28 103.47 1sgx n THR 69 Ca -0.18 -0.82 -0.12 0.00 -2.27 0.00 0.00 64.05 60.66 1sgx n THR 69 Cb 0.59 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 1sgx n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sgx s LYS 70 N -1.31 0.49 -0.04 -0.78 2.20 -1.01 -1.74 119.74 117.55 1sgx s LYS 70 Ca 0.42 0.69 -0.02 0.00 -0.36 0.00 0.00 55.97 56.70 1sgx s LYS 70 Cb 0.23 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.74 1sgx s LYS 70 CO 0.32 -0.09 0.08 0.00 -0.36 0.00 0.00 175.35 175.30 1sgx s ALA 71 N 0.62 -0.15 -0.17 3.13 0.00 -0.34 -3.81 121.76 121.04 1sgx s ALA 71 Ca -0.03 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.28 1sgx s ALA 71 Cb -0.05 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1sgx s ALA 71 CO -0.04 -0.08 -0.20 0.08 0.00 0.00 0.00 175.76 175.52 1sgx s VAL 72 N 0.52 2.03 0.00 0.00 1.01 -1.26 -1.14 120.40 121.57 1sgx s VAL 72 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1sgx s VAL 72 Cb -0.06 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 1sgx s VAL 72 CO -0.02 0.54 -0.01 0.72 0.00 0.00 0.00 175.10 176.32 1sgx s PHE 73 N 1.23 0.13 0.50 5.22 -0.71 -0.29 -4.95 117.98 119.12 1sgx s PHE 73 Ca 0.03 -0.11 -0.08 0.00 -1.04 0.00 0.00 56.93 55.73 1sgx s PHE 73 Cb -0.13 -0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.55 1sgx s PHE 73 CO -0.11 -0.03 0.86 -1.25 -1.34 0.00 0.00 175.22 173.34 1sgx s PRO 74 N -0.29 3.63 -0.01 1.99 0.04 -1.26 0.26 135.00 139.36 1sgx s PRO 74 Ca -0.02 0.44 -0.29 0.00 0.04 0.00 0.00 61.00 61.16 1sgx s PRO 74 Cb -0.02 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1sgx s PRO 74 CO -0.00 -0.27 0.95 -1.17 0.04 0.00 0.00 177.00 176.55 1sgx s LEU 75 N -4.64 4.36 0.00 -3.56 2.96 -0.77 -3.92 118.68 113.10 1sgx s LEU 75 Ca 0.51 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 56.02 1sgx s LEU 75 Cb -0.10 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1sgx s LEU 75 CO 0.44 -0.25 0.00 -1.54 -1.32 0.00 0.00 176.35 173.68 1sgx n SER 76 N 3.90 0.00 -0.04 3.68 3.41 0.37 -4.86 113.62 120.08 1sgx n SER 76 Ca 0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.64 1sgx n SER 76 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 1sgx n SER 76 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sgx n ASN 77 N 0.00 1.84 -4.10 4.04 3.02 -1.26 -0.57 115.26 118.22 1sgx n ASN 77 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 1sgx n ASN 77 Cb 0.00 1.09 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 1sgx n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sgx n GLY 78 N 2.05 2.75 3.20 7.41 0.00 -1.26 -4.86 105.19 114.48 1sgx n GLY 78 Ca -0.15 -2.26 -0.23 0.00 0.00 0.00 0.00 46.02 43.38 1sgx n GLY 78 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sgx s SER 79 N -3.41 2.11 0.00 1.61 0.15 -1.26 -4.61 113.70 108.29 1sgx s SER 79 Ca 0.25 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1sgx s SER 79 Cb -0.02 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1sgx s SER 79 CO 0.16 0.11 0.00 -1.54 1.20 0.00 0.00 173.24 173.17 1sgx n SER 80 N 1.93 0.00 0.00 5.45 3.41 -1.26 -5.13 113.62 118.01 1sgx n SER 80 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1sgx n SER 80 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1sgx n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sgx n GLY 81 N 5.00 0.43 3.10 5.00 0.00 -1.26 -4.85 105.19 112.61 1sgx n GLY 81 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1sgx n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgx n GLY 82 N 4.44 0.05 0.48 -0.02 0.00 -1.26 -4.07 105.19 104.81 1sgx n GLY 82 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1sgx n GLY 82 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sgx n TRP 83 N 5.35 -1.26 -3.65 1.61 7.02 -1.26 -4.87 117.44 120.37 1sgx n TRP 83 Ca 0.09 0.66 -0.10 0.00 -1.02 0.00 0.00 57.50 57.13 1sgx n TRP 83 Cb 0.34 -1.97 -0.04 0.00 -2.42 0.00 0.00 31.31 27.22 1sgx n TRP 83 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1sgx s SER 84 N -1.60 -0.30 -0.04 -0.99 1.04 -0.72 -4.80 113.70 106.29 1sgx s SER 84 Ca 0.00 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 1sgx s SER 84 Cb 0.00 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.70 1sgx s SER 84 CO 0.00 -0.98 0.08 0.00 0.98 0.00 0.00 173.24 173.32 1sgx s ALA 85 N -3.83 0.03 -0.09 5.32 0.00 -1.25 -1.26 121.76 120.67 1sgx s ALA 85 Ca 0.06 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1sgx s ALA 85 Cb -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1sgx s ALA 85 CO -0.07 -0.28 -0.20 0.08 0.00 0.00 0.00 175.76 175.29 1sgx s VAL 86 N 1.55 2.44 -0.51 0.00 1.01 -0.02 -0.48 120.40 124.39 1sgx s VAL 86 Ca -0.04 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 1sgx s VAL 86 Cb -0.12 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.33 1sgx s VAL 86 CO -0.04 0.55 0.97 -0.22 0.00 0.00 0.00 175.10 176.37 1sgx s LEU 87 N 0.13 3.95 0.03 3.92 2.96 0.26 -1.17 118.68 128.77 1sgx s LEU 87 Ca -0.10 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1sgx s LEU 87 Cb -0.16 -3.08 -0.27 0.00 0.50 0.00 0.00 46.19 43.17 1sgx s LEU 87 CO 0.06 -1.18 0.98 1.56 -1.32 0.00 0.00 176.35 176.45 1sgx h GLN 88 N 9.23 0.24 -2.24 1.98 4.20 -1.24 -3.46 115.11 123.81 1sgx h GLN 88 Ca -0.25 -0.40 0.03 0.00 0.06 0.00 0.00 58.65 58.09 1sgx h GLN 88 Cb 1.07 0.15 -0.17 0.00 0.30 0.00 0.00 27.48 28.83 1sgx h GLN 88 CO 1.07 1.13 0.36 0.00 -0.67 0.00 0.00 178.83 180.72 1sgx s ALA 89 N -2.64 -1.78 -0.12 3.87 0.00 -1.17 -5.00 121.76 114.92 1sgx s ALA 89 Ca -0.06 1.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 1sgx s ALA 89 Cb 0.07 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.42 1sgx s ALA 89 CO 0.86 -0.55 -0.03 -1.12 0.00 0.00 0.00 175.76 174.92 1sgx s SER 90 N -1.95 2.22 -0.22 0.00 0.01 -1.26 -0.85 113.70 111.64 1sgx s SER 90 Ca -0.01 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.87 1sgx s SER 90 Cb -0.01 -0.68 0.05 0.00 0.21 0.00 0.00 66.02 65.59 1sgx s SER 90 CO -0.03 -0.19 -0.06 0.20 0.41 0.00 0.00 173.24 173.57 1sgx s ASN 91 N 1.80 3.60 1.75 2.44 -0.87 -0.49 -4.99 114.94 118.18 1sgx s ASN 91 Ca 0.03 -1.04 0.00 0.00 -1.57 0.00 0.00 52.86 50.28 1sgx s ASN 91 Cb -0.14 -1.14 0.00 0.00 -0.02 0.00 0.00 41.25 39.95 1sgx s ASN 91 CO -0.07 -0.21 0.00 0.61 -2.57 0.00 0.00 177.10 174.86 1sgx n GLY 92 N 4.71 3.72 0.95 0.66 0.00 -1.26 -0.93 105.19 113.05 1sgx n GLY 92 Ca -0.13 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1sgx n GLY 92 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sgx n ASN 93 N 8.52 3.62 -4.66 1.61 3.02 -1.26 -4.65 115.26 121.46 1sgx n ASN 93 Ca 0.00 -2.33 -0.36 0.00 -0.03 0.00 0.00 54.58 51.86 1sgx n ASN 93 Cb 0.00 -0.40 -0.09 0.00 -0.61 0.00 0.00 39.78 38.68 1sgx n ASN 93 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1sgx s THR 94 N -1.60 5.29 -0.17 3.41 2.01 -0.10 -0.35 115.64 124.13 1sgx s THR 94 Ca 0.36 0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 1sgx s THR 94 Cb 0.23 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1sgx s THR 94 CO 0.17 0.36 0.03 -0.76 -0.69 0.00 0.00 174.62 173.74 1sgx s LEU 95 N 0.96 3.67 -0.39 4.42 1.43 0.02 -1.39 118.68 127.39 1sgx s LEU 95 Ca 0.07 0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 1sgx s LEU 95 Cb -0.13 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.19 1sgx s LEU 95 CO 0.04 0.20 0.29 -0.89 0.23 0.00 0.00 176.35 176.22 1sgx s THR 96 N 0.22 5.26 -0.05 5.49 2.01 -0.03 -0.77 115.64 127.76 1sgx s THR 96 Ca 0.02 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.56 1sgx s THR 96 Cb -0.13 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 1sgx s THR 96 CO 0.01 -0.24 -0.21 -0.63 -0.69 0.00 0.00 174.62 172.86 1sgx s ILE 97 N 1.72 2.45 -0.26 1.82 1.01 -0.32 -0.71 121.20 126.91 1sgx s ILE 97 Ca 0.06 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 1sgx s ILE 97 Cb -0.18 -1.91 -0.00 0.00 0.01 0.00 0.00 42.46 40.37 1sgx s ILE 97 CO 0.10 0.58 0.03 -0.55 0.00 0.00 0.00 174.94 175.10 1sgx s SER 98 N -0.43 4.85 -0.05 3.58 0.15 -0.31 -0.95 113.70 120.54 1sgx s SER 98 Ca 0.05 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.18 1sgx s SER 98 Cb -0.12 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.32 1sgx s SER 98 CO 0.01 -0.10 0.04 -0.63 1.20 0.00 0.00 173.24 173.76 1sgx s ILE 99 N 1.51 4.54 0.06 6.45 -1.09 -0.01 -0.84 121.20 131.82 1sgx s ILE 99 Ca 0.04 -0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.17 1sgx s ILE 99 Cb -0.16 -2.99 -0.03 0.00 -1.58 0.00 0.00 42.46 37.71 1sgx s ILE 99 CO 0.01 0.49 -0.07 -0.55 -1.23 0.00 0.00 174.94 173.59 1sgx s SER 100 N -1.27 0.93 0.25 3.58 0.15 -0.39 -0.98 113.70 115.97 1sgx s SER 100 Ca 0.17 -0.73 0.11 0.00 0.70 0.00 0.00 55.95 56.21 1sgx s SER 100 Cb -0.12 0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 64.21 1sgx s SER 100 CO 0.07 -0.31 -0.19 -0.94 1.20 0.00 0.00 173.24 173.07 1sgx s SER 101 N -2.14 3.35 0.51 5.45 1.04 -1.26 -1.75 113.70 118.90 1sgx s SER 101 Ca -0.02 -1.00 -0.18 0.00 0.48 0.00 0.00 55.95 55.23 1sgx s SER 101 Cb -0.04 -0.26 -0.07 0.00 0.10 0.00 0.00 66.02 65.75 1sgx s SER 101 CO -0.02 0.01 1.01 -2.16 0.98 0.00 0.00 173.24 173.07 1sgx s PRO 102 N -3.40 3.78 0.40 4.02 0.04 -1.26 -2.48 135.00 136.09 1sgx s PRO 102 Ca 0.27 1.17 0.28 0.00 0.04 0.00 0.00 61.00 62.76 1sgx s PRO 102 Cb -0.05 -2.10 1.35 0.00 0.04 0.00 0.00 34.50 33.75 1sgx s PRO 102 CO 0.13 -0.43 1.85 0.00 0.04 0.00 0.00 177.00 178.59 1sgx h ALA 103 N 1.15 1.00 -0.54 8.56 0.00 -1.87 -2.19 119.26 125.36 1sgx h ALA 103 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sgx h ALA 103 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1sgx h ALA 103 CO 0.60 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 1sgx n SER 104 N -2.53 4.56 -4.77 0.00 3.41 -1.26 -4.76 113.62 108.27 1sgx n SER 104 Ca -0.00 -2.56 -0.38 0.00 -0.26 0.00 0.00 58.87 55.67 1sgx n SER 104 Cb 0.15 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.55 1sgx n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sgx s ALA 105 N -2.03 3.10 0.37 7.33 0.00 -0.84 -4.75 121.76 124.94 1sgx s ALA 105 Ca 0.47 1.05 -0.27 0.00 0.00 0.00 0.00 51.96 53.21 1sgx s ALA 105 Cb 0.32 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1sgx s ALA 105 CO 0.20 -0.71 1.25 -2.14 0.00 0.00 0.00 175.76 174.36 1sgx s PRO 106 N -2.45 4.15 0.62 0.00 0.02 -1.26 -4.46 135.00 131.61 1sgx s PRO 106 Ca 0.60 2.06 -0.06 0.00 0.02 0.00 0.00 61.00 63.61 1sgx s PRO 106 Cb -0.33 -2.85 0.02 0.00 0.02 0.00 0.00 34.50 31.36 1sgx s PRO 106 CO 0.41 -0.31 0.93 0.96 -0.33 0.00 0.00 177.00 178.66 1sgx s ILE 107 N -1.26 3.45 -2.92 2.83 -4.36 -0.95 -4.83 121.20 113.17 1sgx s ILE 107 Ca 0.54 0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.94 1sgx s ILE 107 Cb -0.36 -3.39 0.00 0.00 1.25 0.00 0.00 42.46 39.96 1sgx s ILE 107 CO 0.46 -0.42 0.00 0.61 0.24 0.00 0.00 174.94 175.84 1sgx n GLY 108 N -2.67 0.77 3.71 6.27 0.00 -0.24 -4.89 105.19 108.16 1sgx n GLY 108 Ca 0.05 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 1sgx n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sgx s ARG 109 N -1.17 4.36 0.26 1.61 0.52 -1.26 -1.15 118.95 122.13 1sgx s ARG 109 Ca 0.00 0.59 0.11 0.00 -0.52 0.00 0.00 55.73 55.91 1sgx s ARG 109 Cb 0.00 -3.45 -0.05 0.00 0.52 0.00 0.00 34.95 31.97 1sgx s ARG 109 CO 0.00 0.10 -0.15 0.71 0.02 0.00 0.00 175.30 175.97 1sgx s TYR 110 N 0.78 2.40 0.02 -0.53 1.51 0.02 -4.28 117.35 117.27 1sgx s TYR 110 Ca 0.30 -0.30 0.08 0.00 -1.01 0.00 0.00 57.07 56.14 1sgx s TYR 110 Cb -0.16 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.60 1sgx s TYR 110 CO 0.13 0.67 -0.25 0.99 -1.11 0.00 0.00 175.55 175.98 1sgx s THR 111 N -2.36 1.99 -0.08 -0.71 2.01 0.36 -2.02 115.64 114.83 1sgx s THR 111 Ca 0.29 -1.22 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1sgx s THR 111 Cb -0.06 -1.68 0.01 0.00 0.01 0.00 0.00 72.50 70.78 1sgx s THR 111 CO 0.16 0.42 -0.18 -0.32 -0.69 0.00 0.00 174.62 174.00 1sgx s MET 112 N -0.95 2.39 0.30 4.92 1.75 0.12 -0.95 119.30 126.88 1sgx s MET 112 Ca 0.10 -0.65 0.06 0.00 -1.25 0.00 0.00 55.69 53.95 1sgx s MET 112 Cb -0.10 -1.87 -0.06 0.00 2.84 0.00 0.00 34.83 35.65 1sgx s MET 112 CO 0.01 0.11 -0.04 0.00 -0.65 0.00 0.00 175.02 174.45 1sgx s ALA 113 N 0.49 2.46 -0.06 4.11 0.00 0.20 -0.05 121.76 128.90 1sgx s ALA 113 Ca -0.17 -1.97 0.01 0.00 0.00 0.00 0.00 51.96 49.84 1sgx s ALA 113 Cb -0.17 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1sgx s ALA 113 CO 0.06 -0.10 -0.08 -1.17 0.00 0.00 0.00 175.76 174.48 1sgx s LEU 114 N -3.48 1.43 -0.16 0.00 2.96 0.62 -0.48 118.68 119.57 1sgx s LEU 114 Ca 0.31 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.95 1sgx s LEU 114 Cb 0.05 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 1sgx s LEU 114 CO 0.13 -0.03 0.00 -1.58 -1.32 0.00 0.00 176.35 173.56 1sgx s GLN 115 N 0.93 3.71 -0.11 1.98 0.74 0.25 -1.30 119.66 125.86 1sgx s GLN 115 Ca -0.10 -0.44 0.03 0.00 0.05 0.00 0.00 55.36 54.89 1sgx s GLN 115 Cb -0.15 -3.01 -0.00 0.00 1.10 0.00 0.00 33.01 30.95 1sgx s GLN 115 CO 0.01 0.31 -0.21 0.42 -0.55 0.00 0.00 175.29 175.26 1sgx s ILE 116 N 0.22 2.33 -0.43 -2.34 1.01 0.10 -0.70 121.20 121.40 1sgx s ILE 116 Ca 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 1sgx s ILE 116 Cb -0.13 -1.91 0.06 0.00 0.01 0.00 0.00 42.46 40.49 1sgx s ILE 116 CO 0.02 0.55 0.30 -0.36 0.00 0.00 0.00 174.94 175.45 1sgx s PHE 117 N 0.33 3.28 -0.12 3.97 0.08 0.14 -1.66 117.98 124.00 1sgx s PHE 117 Ca -0.17 -1.15 -0.11 0.00 0.12 0.00 0.00 56.93 55.62 1sgx s PHE 117 Cb -0.17 -2.89 0.03 0.00 -0.57 0.00 0.00 43.02 39.41 1sgx s PHE 117 CO 0.08 -0.77 0.33 0.45 -0.10 0.00 0.00 175.22 175.21 1sgx s SER 118 N 2.13 -0.34 -1.52 1.36 0.15 -0.84 -2.21 113.70 112.43 1sgx s SER 118 Ca 0.03 0.67 -0.05 0.00 0.70 0.00 0.00 55.95 57.30 1sgx s SER 118 Cb -0.22 0.68 0.05 0.00 -1.71 0.00 0.00 66.02 64.81 1sgx s SER 118 CO 0.05 -0.12 0.43 0.00 1.20 0.00 0.00 173.24 174.81 1sgx n GLN 119 N 2.90 -2.75 -0.94 5.44 6.02 -1.26 -0.81 117.38 125.99 1sgx n GLN 119 Ca -0.13 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1sgx n GLN 119 Cb 0.58 -4.49 0.00 0.00 1.02 0.00 0.00 30.24 27.34 1sgx n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sgx n GLY 120 N -1.93 0.36 3.62 1.08 0.00 -1.26 -4.98 105.19 102.07 1sgx n GLY 120 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1sgx n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sgx s GLY 121 N -2.00 2.83 -0.02 -0.02 0.00 0.01 -5.16 107.32 102.97 1sgx s GLY 121 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.92 1sgx s GLY 121 CO 0.00 -1.98 -0.05 -0.42 0.00 0.00 0.00 173.10 170.65 1sgx s ILE 122 N -3.07 0.45 0.19 0.90 1.01 -1.26 -1.98 121.20 117.44 1sgx s ILE 122 Ca 0.15 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1sgx s ILE 122 Cb 0.02 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 1sgx s ILE 122 CO 0.10 0.15 -0.11 -0.94 0.00 0.00 0.00 174.94 174.13 1sgx s SER 123 N 0.20 2.22 -0.11 3.58 1.04 -0.66 -4.97 113.70 115.00 1sgx s SER 123 Ca -0.02 -1.04 -0.07 0.00 0.48 0.00 0.00 55.95 55.30 1sgx s SER 123 Cb -0.06 -0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.02 1sgx s SER 123 CO -0.00 -0.27 0.28 -0.55 0.98 0.00 0.00 173.24 173.68 1sgx s SER 124 N -3.26 -0.31 -0.01 7.02 0.15 -1.26 -0.72 113.70 115.31 1sgx s SER 124 Ca 0.21 0.59 -0.04 0.00 0.70 0.00 0.00 55.95 57.41 1sgx s SER 124 Cb 0.01 0.52 -0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1sgx s SER 124 CO 0.05 -0.15 0.07 0.54 1.20 0.00 0.00 173.24 174.96 1sgx s VAL 125 N 0.89 0.05 0.06 4.45 0.11 -0.42 -4.98 120.40 120.56 1sgx s VAL 125 Ca -0.06 -0.41 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 1sgx s VAL 125 Cb -0.07 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 1sgx s VAL 125 CO -0.06 -0.23 1.02 -0.75 -3.33 0.00 0.00 175.10 171.75 1sgx s LYS 126 N -0.72 4.59 -0.18 1.54 2.20 -1.26 -0.27 119.74 125.63 1sgx s LYS 126 Ca -0.08 1.51 -0.14 0.00 -0.36 0.00 0.00 55.97 56.91 1sgx s LYS 126 Cb -0.05 -3.40 -0.21 0.00 -1.51 0.00 0.00 37.83 32.66 1sgx s LYS 126 CO 0.00 0.02 0.20 1.28 -0.36 0.00 0.00 175.35 176.49 1sgx n LEU 127 N 3.39 2.24 0.00 5.43 4.77 0.92 -4.92 117.00 128.84 1sgx n LEU 127 Ca 0.05 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1sgx n LEU 127 Cb 0.49 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1sgx n LEU 127 CO 0.52 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 1sgx n GLY 128 N 1.69 -0.76 3.30 -0.72 0.00 -1.08 -5.01 105.19 102.60 1sgx n GLY 128 Ca -0.35 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 1sgx n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sgx s THR 129 N -3.00 1.18 0.23 2.61 -4.23 -1.26 -0.70 115.64 110.47 1sgx s THR 129 Ca 0.00 -2.07 -0.20 0.00 -1.18 0.00 0.00 61.69 58.24 1sgx s THR 129 Cb 0.00 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.77 1sgx s THR 129 CO 0.00 -0.54 0.63 0.72 -0.54 0.00 0.00 174.62 174.89 1sgx s PHE 130 N -3.32 -0.23 -0.09 3.99 -0.71 -0.86 -4.62 117.98 112.15 1sgx s PHE 130 Ca 0.23 -0.14 0.01 0.00 -1.04 0.00 0.00 56.93 55.99 1sgx s PHE 130 Cb 0.04 0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 42.39 1sgx s PHE 130 CO 0.05 -1.05 -0.11 0.42 -1.34 0.00 0.00 175.22 173.19 1sgx s ILE 131 N -3.87 3.27 -0.14 -4.49 1.01 -0.06 -0.80 121.20 116.12 1sgx s ILE 131 Ca 0.09 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1sgx s ILE 131 Cb -0.03 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1sgx s ILE 131 CO -0.00 0.56 -0.19 -0.22 0.00 0.00 0.00 174.94 175.09 1sgx s LEU 132 N -0.29 2.33 0.45 2.97 0.20 -0.30 0.19 118.68 124.23 1sgx s LEU 132 Ca 0.03 -0.51 0.05 0.00 0.69 0.00 0.00 54.13 54.39 1sgx s LEU 132 Cb -0.13 -1.51 -0.05 0.00 -0.43 0.00 0.00 46.19 44.08 1sgx s LEU 132 CO 0.03 0.11 0.04 -0.76 -0.29 0.00 0.00 176.35 175.47 1sgx s LEU 133 N 0.65 2.68 0.66 -0.68 1.43 0.10 -1.07 118.68 122.45 1sgx s LEU 133 Ca -0.09 -1.44 -0.16 0.00 -1.03 0.00 0.00 54.13 51.40 1sgx s LEU 133 Cb -0.16 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.17 1sgx s LEU 133 CO 0.02 -0.63 1.15 -0.36 0.23 0.00 0.00 176.35 176.77 1sgx s PHE 134 N -2.76 2.42 -0.51 0.29 0.08 -0.83 -1.08 117.98 115.59 1sgx s PHE 134 Ca 0.25 1.56 0.04 0.00 0.12 0.00 0.00 56.93 58.90 1sgx s PHE 134 Cb 0.06 -3.31 0.13 0.00 -0.57 0.00 0.00 43.02 39.33 1sgx s PHE 134 CO 0.13 -2.02 0.26 1.21 -0.10 0.00 0.00 175.22 174.70 1sgx s ASN 135 N -2.20 4.22 0.01 1.36 3.84 -1.26 -4.65 114.94 116.25 1sgx s ASN 135 Ca 0.71 -2.97 0.11 0.00 0.21 0.00 0.00 52.86 50.91 1sgx s ASN 135 Cb -0.25 -1.55 0.45 0.00 -0.55 0.00 0.00 41.25 39.35 1sgx s ASN 135 CO 0.40 -0.23 1.34 -2.65 -2.79 0.00 0.00 177.10 173.16 1sgx n PRO 136 N 3.15 0.01 0.10 0.43 -0.02 -1.26 -2.07 135.00 135.33 1sgx n PRO 136 Ca 0.06 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1sgx n PRO 136 Cb 0.32 -1.51 0.12 0.00 -0.02 0.00 0.00 33.50 32.41 1sgx n PRO 136 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1sgx h TRP 137 N 0.00 0.00 -3.57 6.00 6.55 -1.88 -1.68 115.95 121.36 1sgx h TRP 137 Ca 0.00 0.00 -0.62 0.00 0.95 0.00 0.00 58.89 59.22 1sgx h TRP 137 Cb 0.18 0.00 -0.13 0.00 -0.86 0.00 0.00 29.16 28.35 1sgx h TRP 137 CO 0.00 0.00 0.01 -1.17 -1.05 0.00 0.00 178.44 176.23 1sgx s LEU 138 N -4.94 4.07 0.44 -4.49 0.20 -0.88 -4.96 118.68 108.11 1sgx s LEU 138 Ca 0.04 0.51 0.20 0.00 0.69 0.00 0.00 54.13 55.57 1sgx s LEU 138 Cb 0.11 -2.69 1.16 0.00 -0.43 0.00 0.00 46.19 44.34 1sgx s LEU 138 CO 0.73 -0.32 1.86 -0.55 -0.29 0.00 0.00 176.35 177.78 1sgx h ASN 139 N 8.04 0.33 0.48 3.68 7.08 -1.88 -1.49 115.58 131.81 1sgx h ASN 139 Ca -0.28 0.04 0.00 0.00 -3.08 0.00 0.00 56.30 52.97 1sgx h ASN 139 Cb 1.14 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 37.35 1sgx h ASN 139 CO 0.73 0.13 -0.37 1.33 -2.08 0.00 0.00 177.43 177.16 1sgx n VAL 140 N -4.47 0.00 -2.42 6.14 0.24 -1.26 -4.82 118.33 111.74 1sgx n VAL 140 Ca 0.19 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.34 62.07 1sgx n VAL 140 Cb 0.75 0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 1sgx n VAL 140 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sgx s ASP 141 N -2.85 6.92 0.60 -1.34 3.68 -0.56 -4.91 116.67 118.21 1sgx s ASP 141 Ca 0.15 2.27 0.32 0.00 2.13 0.00 0.00 52.55 57.43 1sgx s ASP 141 Cb 0.18 -2.62 1.91 0.00 -1.45 0.00 0.00 42.92 40.94 1sgx s ASP 141 CO 0.63 -0.39 2.26 0.77 0.13 0.00 0.00 175.17 178.57 1sgx h SER 142 N 3.18 0.00 -0.50 -0.34 4.64 -1.87 -1.45 113.55 117.21 1sgx h SER 142 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1sgx h SER 142 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1sgx h SER 142 CO 0.65 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.95 1sgx n VAL 143 N -3.67 0.67 -1.59 0.95 0.24 -1.26 -1.58 118.33 112.08 1sgx n VAL 143 Ca -0.03 -0.68 -0.49 0.00 -2.04 0.00 0.00 64.34 61.11 1sgx n VAL 143 Cb 0.10 0.35 -0.04 0.00 -1.47 0.00 0.00 33.84 32.78 1sgx n VAL 143 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1sgx n PHE 144 N 0.99 1.48 -3.65 6.34 7.35 -0.55 -4.47 117.46 124.95 1sgx n PHE 144 Ca 0.17 0.63 -0.29 0.00 -0.76 0.00 0.00 57.45 57.20 1sgx n PHE 144 Cb 0.43 -2.32 -0.16 0.00 0.35 0.00 0.00 39.48 37.78 1sgx n PHE 144 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1sgx s MET 145 N -0.14 0.45 0.35 -4.13 -2.45 -0.63 -4.91 119.30 107.83 1sgx s MET 145 Ca 0.75 -0.62 0.09 0.00 -1.25 0.00 0.00 55.69 54.66 1sgx s MET 145 Cb -0.84 -1.72 0.64 0.00 1.25 0.00 0.00 34.83 34.16 1sgx s MET 145 CO 0.50 -0.88 1.82 0.78 1.05 0.00 0.00 175.02 178.29 1sgx h GLY 146 N 8.27 0.23 -4.58 2.11 0.00 -1.93 -3.45 103.07 103.73 1sgx h GLY 146 Ca -0.17 -0.18 -0.54 0.00 0.00 0.00 0.00 47.33 46.44 1sgx h GLY 146 CO 0.41 0.16 0.54 0.21 0.00 0.00 0.00 176.54 177.86 1sgx s ASN 147 N -6.88 7.19 0.09 0.19 3.84 -1.26 -4.96 114.94 113.15 1sgx s ASN 147 Ca -0.05 1.76 -0.27 0.00 0.21 0.00 0.00 52.86 54.52 1sgx s ASN 147 Cb 0.14 -2.57 -0.15 0.00 -0.55 0.00 0.00 41.25 38.12 1sgx s ASN 147 CO 0.75 -0.43 1.69 -0.74 -2.79 0.00 0.00 177.10 175.58 1sgx h HIS 148 N 7.02 -0.38 -0.53 0.43 -0.00 -2.00 -1.15 115.15 118.55 1sgx h HIS 148 Ca -0.38 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.03 1sgx h HIS 148 Cb 1.19 0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 28.69 1sgx h HIS 148 CO 0.70 -0.23 0.28 0.00 -0.00 0.00 0.00 177.93 178.68 1sgx h ALA 149 N 0.36 0.68 -0.36 5.26 0.00 -1.99 -1.22 119.26 122.00 1sgx h ALA 149 Ca -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1sgx h ALA 149 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1sgx h ALA 149 CO 0.04 -0.05 0.06 0.93 0.00 0.00 0.00 179.25 180.23 1sgx h GLU 150 N 0.55 0.59 -0.63 0.00 5.08 -1.96 -2.35 114.58 115.87 1sgx h GLU 150 Ca 0.23 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1sgx h GLU 150 Cb 0.11 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1sgx h GLU 150 CO -0.14 0.66 0.42 -0.09 -1.00 0.00 0.00 179.01 178.85 1sgx h ARG 151 N 0.44 0.82 -0.84 2.33 2.43 -0.91 0.82 114.38 119.46 1sgx h ARG 151 Ca 0.11 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1sgx h ARG 151 Cb 0.35 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1sgx h ARG 151 CO 0.01 0.55 0.56 0.93 -1.51 0.00 0.00 179.97 180.50 1sgx h GLU 152 N 0.85 1.11 -0.03 0.20 4.39 -1.10 -0.13 114.58 119.87 1sgx h GLU 152 Ca 0.23 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 1sgx h GLU 152 Cb -0.09 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.31 1sgx h GLU 152 CO -0.05 0.74 -0.05 1.49 -1.16 0.00 0.00 179.01 179.97 1sgx h GLU 153 N 1.14 0.08 0.00 2.33 4.57 -0.95 -0.06 114.58 121.70 1sgx h GLU 153 Ca 0.31 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1sgx h GLU 153 Cb -0.13 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1sgx h GLU 153 CO -0.07 0.62 0.00 0.66 -1.18 0.00 0.00 179.01 179.04 1sgx n TYR 154 N -4.75 0.00 0.04 0.92 4.01 0.24 -3.69 117.16 113.92 1sgx n TYR 154 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1sgx n TYR 154 Cb 0.31 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1sgx n TYR 154 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1sgx n VAL 155 N -1.33 0.28 0.58 -0.72 0.31 -0.07 -1.80 118.33 115.57 1sgx n VAL 155 Ca 0.12 0.09 0.13 0.00 -0.01 0.00 0.00 64.34 64.67 1sgx n VAL 155 Cb 0.26 -1.11 0.33 0.00 -0.91 0.00 0.00 33.84 32.41 1sgx n VAL 155 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1sgx h GLN 156 N 0.00 0.00 -5.96 5.55 1.08 -1.33 -3.45 115.11 111.00 1sgx h GLN 156 Ca 0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 1sgx h GLN 156 Cb 0.36 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.72 1sgx h GLN 156 CO 0.00 0.00 0.53 -2.00 -0.95 0.00 0.00 178.83 176.41 1sgx s GLU 157 N -3.13 4.27 0.00 1.46 2.56 -0.13 -4.93 118.70 118.81 1sgx s GLU 157 Ca 0.09 1.11 0.21 0.00 0.00 0.00 0.00 54.97 56.39 1sgx s GLU 157 Cb 0.12 -3.61 0.50 0.00 2.00 0.00 0.00 34.13 33.14 1sgx s GLU 157 CO 0.63 -0.45 1.43 -0.40 -0.56 0.00 0.00 175.26 175.91 1sgx n ASP 158 N 5.68 3.59 -4.10 -1.70 5.75 -1.26 -4.87 116.55 119.63 1sgx n ASP 158 Ca 0.07 -1.98 -0.28 0.00 -0.01 0.00 0.00 54.79 52.59 1sgx n ASP 158 Cb 0.48 -0.35 -0.17 0.00 -1.03 0.00 0.00 41.12 40.05 1sgx n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sgx s ALA 159 N -1.20 1.71 0.33 2.12 0.00 -1.26 -1.55 121.76 121.91 1sgx s ALA 159 Ca 0.41 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.72 1sgx s ALA 159 Cb 0.22 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1sgx s ALA 159 CO 0.30 0.12 0.22 0.41 0.00 0.00 0.00 175.76 176.82 1sgx n GLY 160 N 3.82 3.09 2.98 0.00 0.00 0.22 -4.96 105.19 110.34 1sgx n GLY 160 Ca -0.21 -1.95 -0.19 0.00 0.00 0.00 0.00 46.02 43.68 1sgx n GLY 160 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgx s ILE 161 N -3.17 0.67 -0.09 -0.61 -1.09 -1.26 -1.10 121.20 114.55 1sgx s ILE 161 Ca 0.31 -0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.45 1sgx s ILE 161 Cb 0.02 -0.60 0.01 0.00 -1.58 0.00 0.00 42.46 40.30 1sgx s ILE 161 CO 0.22 0.21 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.34 1sgx s ILE 162 N 0.19 1.58 0.16 2.92 1.01 -0.54 -4.41 121.20 122.10 1sgx s ILE 162 Ca -0.03 -0.72 -0.26 0.00 0.00 0.00 0.00 60.65 59.64 1sgx s ILE 162 Cb -0.08 -1.41 -0.08 0.00 0.01 0.00 0.00 42.46 40.90 1sgx s ILE 162 CO 0.00 0.46 0.79 -0.36 0.00 0.00 0.00 174.94 175.83 1sgx s PHE 163 N 0.66 3.90 0.00 3.97 0.40 -1.26 -1.38 117.98 124.27 1sgx s PHE 163 Ca -0.13 1.65 0.00 0.00 -0.60 0.00 0.00 56.93 57.84 1sgx s PHE 163 Cb -0.16 -2.79 0.00 0.00 0.51 0.00 0.00 43.02 40.57 1sgx s PHE 163 CO 0.04 0.48 0.00 1.33 0.70 0.00 0.00 175.22 177.77 1sgx n VAL 164 N 1.72 0.00 0.00 -0.44 0.24 0.60 -4.81 118.33 115.64 1sgx n VAL 164 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1sgx n VAL 164 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1sgx n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sgx n GLY 165 N 0.00 0.99 3.53 7.63 0.00 -1.26 -0.21 105.19 115.88 1sgx n GLY 165 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 1sgx n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgx s SER 166 N -4.00 0.32 0.61 1.61 1.04 -1.00 -4.69 113.70 107.59 1sgx s SER 166 Ca 0.00 -1.19 0.39 0.00 0.48 0.00 0.00 55.95 55.62 1sgx s SER 166 Cb 0.00 0.62 1.90 0.00 0.10 0.00 0.00 66.02 68.64 1sgx s SER 166 CO 0.00 -1.21 2.18 0.00 0.98 0.00 0.00 173.24 175.19 1sgx h THR 167 N 2.21 0.04 -0.01 2.02 1.03 -1.94 -1.96 112.91 114.30 1sgx h THR 167 Ca -0.28 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 1sgx h THR 167 Cb 1.25 1.25 0.00 0.00 -1.07 0.00 0.00 68.15 69.58 1sgx h THR 167 CO 0.38 0.01 -0.60 0.59 -0.01 0.00 0.00 175.52 175.89 1sgx n ASN 168 N -3.12 1.64 -2.85 0.00 3.02 -1.26 -4.74 115.26 107.94 1sgx n ASN 168 Ca -0.01 -1.29 -0.02 0.00 -0.03 0.00 0.00 54.58 53.22 1sgx n ASN 168 Cb 0.19 0.58 0.01 0.00 -0.61 0.00 0.00 39.78 39.95 1sgx n ASN 168 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1sgx s ARG 169 N -2.63 0.72 0.04 3.52 3.52 -0.77 -5.12 118.95 118.23 1sgx s ARG 169 Ca 0.16 -0.56 -0.31 0.00 -0.13 0.00 0.00 55.73 54.89 1sgx s ARG 169 Cb 0.18 0.00 -0.06 0.00 -1.56 0.00 0.00 34.95 33.51 1sgx s ARG 169 CO 0.65 -0.94 1.36 0.42 -0.81 0.00 0.00 175.30 175.98 1sgx s ILE 170 N 1.27 3.66 0.40 4.11 1.01 -1.00 -2.36 121.20 128.28 1sgx s ILE 170 Ca 0.23 1.12 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1sgx s ILE 170 Cb 0.02 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 1sgx s ILE 170 CO -0.08 0.04 0.01 0.61 0.00 0.00 0.00 174.94 175.52 1sgx n GLY 171 N 3.52 3.66 3.27 6.18 0.00 0.71 -4.95 105.19 117.58 1sgx n GLY 171 Ca 0.12 -2.32 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 1sgx n GLY 171 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1sgx s MET 172 N -3.46 0.83 0.04 1.61 0.23 -1.26 -0.30 119.30 116.99 1sgx s MET 172 Ca 0.02 -0.46 0.03 0.00 -1.03 0.00 0.00 55.69 54.25 1sgx s MET 172 Cb 0.00 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 33.64 1sgx s MET 172 CO 0.01 -0.27 -0.10 0.96 -2.03 0.00 0.00 175.02 173.59 1sgx s ILE 173 N -2.50 0.77 0.47 3.16 -4.36 -0.48 -4.92 121.20 113.34 1sgx s ILE 173 Ca -0.05 -0.96 -0.18 0.00 -0.26 0.00 0.00 60.65 59.20 1sgx s ILE 173 Cb -0.01 -0.75 -0.09 0.00 1.25 0.00 0.00 42.46 42.85 1sgx s ILE 173 CO -0.03 -0.17 0.96 -0.83 0.24 0.00 0.00 174.94 175.11 1sgx s GLY 174 N -1.25 2.21 -0.04 6.27 0.00 -1.26 -1.47 107.32 111.79 1sgx s GLY 174 Ca -0.04 0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.93 1sgx s GLY 174 CO 0.01 0.54 0.08 0.86 0.00 0.00 0.00 173.10 174.59 1sgx s TRP 175 N -2.40 -0.06 -0.52 1.90 -0.11 -0.26 -4.83 118.94 112.66 1sgx s TRP 175 Ca 0.60 0.29 -0.19 0.00 1.22 0.00 0.00 56.10 58.02 1sgx s TRP 175 Cb -0.10 -0.15 0.06 0.00 -1.50 0.00 0.00 33.47 31.79 1sgx s TRP 175 CO 0.23 -0.12 0.63 1.21 -4.62 0.00 0.00 176.95 174.28 1sgx s ASN 176 N 1.02 6.22 0.17 5.86 2.47 -0.20 -0.61 114.94 129.86 1sgx s ASN 176 Ca -0.08 -0.98 -0.07 0.00 0.42 0.00 0.00 52.86 52.15 1sgx s ASN 176 Cb -0.11 -2.29 0.03 0.00 -1.45 0.00 0.00 41.25 37.43 1sgx s ASN 176 CO -0.04 -0.92 1.47 -0.26 -3.72 0.00 0.00 177.10 173.63 1sgx h PHE 177 N 9.02 0.88 -5.97 0.43 0.05 -1.62 -0.25 116.94 119.48 1sgx h PHE 177 Ca -0.28 -0.31 -0.43 0.00 3.82 0.00 0.00 57.97 60.77 1sgx h PHE 177 Cb 1.09 -0.17 -0.13 0.00 2.00 0.00 0.00 35.95 38.74 1sgx h PHE 177 CO 0.76 1.08 -0.65 0.41 -0.18 0.00 0.00 178.31 179.74 1sgx n GLY 178 N 0.27 -0.47 0.29 -1.45 0.00 -1.07 -4.38 105.19 98.39 1sgx n GLY 178 Ca -0.03 0.10 0.20 0.00 0.00 0.00 0.00 46.02 46.29 1sgx n GLY 178 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1sgx h GLN 179 N -1.14 0.00 -0.01 1.61 -0.00 -1.87 -1.96 115.11 111.74 1sgx h GLN 179 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 1sgx h GLN 179 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 1sgx h GLN 179 CO 0.61 0.00 -0.40 1.19 -0.00 0.00 0.00 178.83 180.24 1sgx n PHE 180 N -2.89 0.00 -1.81 0.06 3.72 -1.26 -4.07 117.46 111.20 1sgx n PHE 180 Ca -0.02 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.04 1sgx n PHE 180 Cb 0.08 -0.07 0.05 0.00 -0.94 0.00 0.00 39.48 38.60 1sgx n PHE 180 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1sgx s GLU 181 N -2.54 2.80 0.09 -1.08 0.41 -0.74 -0.81 118.70 116.84 1sgx s GLU 181 Ca 0.21 1.53 -0.36 0.00 -0.41 0.00 0.00 54.97 55.93 1sgx s GLU 181 Cb 0.19 -1.94 -0.17 0.00 -1.78 0.00 0.00 34.13 30.42 1sgx s GLU 181 CO 0.57 -1.28 1.19 -1.91 -0.49 0.00 0.00 175.26 173.34 1sgx n GLU 182 N -2.21 0.83 -0.13 1.61 2.13 -1.26 -1.81 120.64 119.80 1sgx n GLU 182 Ca 0.11 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1sgx n GLU 182 Cb 0.51 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.39 1sgx n GLU 182 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1sgx n ASP 183 N 2.12 0.00 -0.03 4.31 4.64 -1.26 -4.87 116.55 121.47 1sgx n ASP 183 Ca 0.18 0.00 -0.11 0.00 -1.38 0.00 0.00 54.79 53.47 1sgx n ASP 183 Cb 0.18 -0.91 -0.06 0.00 -1.04 0.00 0.00 41.12 39.29 1sgx n ASP 183 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1sgx h ILE 184 N 0.00 1.17 -0.25 5.18 1.08 -1.66 -0.96 117.51 122.08 1sgx h ILE 184 Ca 0.00 -0.53 0.03 0.00 -0.39 0.00 0.00 64.86 63.96 1sgx h ILE 184 Cb 0.00 1.31 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1sgx h ILE 184 CO 0.00 0.16 0.09 0.25 -0.69 0.00 0.00 178.15 177.96 1sgx h LEU 185 N 0.01 0.10 -0.80 1.44 5.85 -1.77 -1.07 115.31 119.07 1sgx h LEU 185 Ca 0.04 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.88 1sgx h LEU 185 Cb 0.21 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1sgx h LEU 185 CO -0.00 0.09 0.45 -1.28 -0.34 0.00 0.00 178.44 177.36 1sgx h SER 186 N 0.21 0.63 -0.52 1.25 0.87 -1.91 -0.03 113.55 114.05 1sgx h SER 186 Ca 0.11 0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 1sgx h SER 186 Cb 0.08 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1sgx h SER 186 CO -0.11 0.36 -0.06 0.40 -0.53 0.00 0.00 176.83 176.88 1sgx h ILE 187 N 0.75 1.27 -0.63 2.23 2.04 -0.65 -0.69 117.51 121.83 1sgx h ILE 187 Ca 0.39 -1.20 -0.09 0.00 1.00 0.00 0.00 64.86 64.96 1sgx h ILE 187 Cb 0.37 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1sgx h ILE 187 CO -0.25 0.42 0.03 0.00 0.00 0.00 0.00 178.15 178.35 1sgx h LEU 189 N 1.00 1.07 -1.89 0.00 3.38 -0.89 -2.50 115.31 115.48 1sgx h LEU 189 Ca 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1sgx h LEU 189 Cb 0.53 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1sgx h LEU 189 CO 0.03 0.94 -0.12 0.77 0.09 0.00 0.00 178.44 180.14 1sgx h SER 190 N 1.14 0.00 -0.70 -0.43 4.64 -0.39 -2.51 113.55 115.29 1sgx h SER 190 Ca 0.27 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.64 1sgx h SER 190 Cb 0.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 1sgx h SER 190 CO -0.02 0.12 0.46 0.40 -0.87 0.00 0.00 176.83 176.92 1sgx h ILE 191 N 0.00 1.05 0.00 0.95 2.04 -0.90 -0.92 117.51 119.74 1sgx h ILE 191 Ca -0.00 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1sgx h ILE 191 Cb 0.27 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1sgx h ILE 191 CO 0.02 0.14 -0.20 -0.07 0.00 0.00 0.00 178.15 178.04 1sgx h LEU 192 N 0.78 0.00 -1.51 1.44 3.38 -1.56 -1.54 115.31 116.30 1sgx h LEU 192 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1sgx h LEU 192 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1sgx h LEU 192 CO -0.09 0.20 0.00 0.47 0.09 0.00 0.00 178.44 179.11 1sgx n ASP 193 N -4.07 2.20 0.00 -0.43 8.00 -0.36 -3.81 116.55 118.08 1sgx n ASP 193 Ca -0.02 -2.08 0.00 0.00 0.71 0.00 0.00 54.79 53.40 1sgx n ASP 193 Cb 0.27 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1sgx n ASP 193 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1sgx n ARG 194 N 0.53 -0.29 -1.20 -1.24 5.12 -0.61 -4.88 116.66 114.10 1sgx n ARG 194 Ca 0.13 -0.34 -0.29 0.00 -1.93 0.00 0.00 57.85 55.41 1sgx n ARG 194 Cb 0.38 -0.76 0.17 0.00 -1.16 0.00 0.00 32.46 31.09 1sgx n ARG 194 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1sgx s SER 195 N -0.06 2.84 0.26 0.55 1.04 -1.04 -4.88 113.70 112.41 1sgx s SER 195 Ca 0.00 1.23 0.01 0.00 0.48 0.00 0.00 55.95 57.67 1sgx s SER 195 Cb 0.00 -1.90 0.33 0.00 0.10 0.00 0.00 66.02 64.55 1sgx s SER 195 CO 0.00 -3.00 1.68 -0.07 0.98 0.00 0.00 173.24 172.82 1sgx h LEU 196 N -1.80 0.55 -0.43 2.42 3.38 -1.93 -2.69 115.31 114.81 1sgx h LEU 196 Ca -0.53 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.22 1sgx h LEU 196 Cb 1.32 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1sgx h LEU 196 CO 0.57 0.82 0.22 0.78 0.09 0.00 0.00 178.44 180.92 1sgx h ASN 197 N 0.47 0.55 -0.43 -0.43 2.35 -1.95 -1.85 115.58 114.29 1sgx h ASN 197 Ca 0.06 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1sgx h ASN 197 Cb 0.73 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1sgx h ASN 197 CO 0.06 0.49 0.05 0.15 -1.65 0.00 0.00 177.43 176.53 1sgx h PHE 198 N 0.56 0.78 0.00 1.19 3.04 -1.79 -1.39 116.94 119.32 1sgx h PHE 198 Ca 0.15 -0.11 -0.06 0.00 3.98 0.00 0.00 57.97 61.93 1sgx h PHE 198 Cb 0.08 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 1sgx h PHE 198 CO -0.02 0.75 -0.27 0.00 -2.02 0.00 0.00 178.31 176.75 1sgx h ARG 199 N 0.58 0.00 -0.00 1.11 3.08 -1.40 -1.49 114.38 116.26 1sgx h ARG 199 Ca 0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1sgx h ARG 199 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1sgx h ARG 199 CO 0.01 0.27 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.04 1sgx h ARG 200 N 0.00 0.04 -1.60 0.04 2.43 -1.06 -3.43 114.38 110.80 1sgx h ARG 200 Ca -0.00 -0.04 -0.28 0.00 -0.81 0.00 0.00 59.98 58.85 1sgx h ARG 200 Cb 0.50 0.01 -0.26 0.00 -0.42 0.00 0.00 29.97 29.80 1sgx h ARG 200 CO 0.04 0.80 -0.62 0.34 -1.51 0.00 0.00 179.97 179.01 1sgx s ASP 201 N -6.06 0.10 0.23 -3.80 -1.08 -0.55 -5.02 116.67 100.49 1sgx s ASP 201 Ca -0.17 -1.55 -0.06 0.00 -0.52 0.00 0.00 52.55 50.25 1sgx s ASP 201 Cb -0.00 1.03 0.34 0.00 -1.46 0.00 0.00 42.92 42.83 1sgx s ASP 201 CO 0.70 -0.20 1.81 0.00 0.52 0.00 0.00 175.17 178.00 1sgx h ALA 202 N 6.60 1.08 -0.25 3.66 0.00 -1.47 -0.99 119.26 127.89 1sgx h ALA 202 Ca 0.07 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1sgx h ALA 202 Cb 1.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1sgx h ALA 202 CO 0.16 0.08 0.11 0.00 0.00 0.00 0.00 179.25 179.60 1sgx h ALA 203 N 1.42 0.30 -0.24 0.00 0.00 -1.93 -1.07 119.26 117.75 1sgx h ALA 203 Ca 0.36 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.11 1sgx h ALA 203 Cb 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sgx h ALA 203 CO -0.23 -0.30 -0.56 1.15 0.00 0.00 0.00 179.25 179.31 1sgx h THR 204 N 0.24 1.29 -0.42 0.00 2.02 -1.88 -2.80 112.91 111.36 1sgx h THR 204 Ca 0.11 -1.78 -0.01 0.00 0.77 0.00 0.00 66.41 65.50 1sgx h THR 204 Cb 0.05 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1sgx h THR 204 CO -0.09 0.57 0.23 -0.78 0.37 0.00 0.00 175.52 175.82 1sgx h ASP 205 N 0.56 0.52 -0.50 4.18 3.58 -0.96 -1.49 116.42 122.31 1sgx h ASP 205 Ca 0.01 -0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 1sgx h ASP 205 Cb 1.15 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 1sgx h ASP 205 CO 0.12 0.45 -0.03 0.58 -2.88 0.00 0.00 179.24 177.48 1sgx h VAL 206 N 0.54 1.26 0.00 2.25 2.07 -1.22 -2.34 116.25 118.82 1sgx h VAL 206 Ca 0.15 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 1sgx h VAL 206 Cb 0.05 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1sgx h VAL 206 CO -0.02 0.41 -0.23 0.00 0.02 0.00 0.00 177.57 177.74 1sgx h ALA 207 N 1.08 1.51 -0.00 1.67 0.00 -1.27 -2.29 119.26 119.96 1sgx h ALA 207 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sgx h ALA 207 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1sgx h ALA 207 CO 0.03 0.29 -0.03 0.43 0.00 0.00 0.00 179.25 179.98 1sgx n SER 208 N -4.11 0.20 0.00 0.00 7.64 -0.58 -3.77 113.62 113.00 1sgx n SER 208 Ca -0.02 -0.61 0.10 0.00 1.01 0.00 0.00 58.87 59.34 1sgx n SER 208 Cb 0.30 -0.12 0.58 0.00 -1.01 0.00 0.00 64.21 63.96 1sgx n SER 208 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sgx n ARG 209 N -1.03 0.70 0.00 1.43 1.74 -0.86 -2.14 116.66 116.51 1sgx n ARG 209 Ca 0.18 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.39 1sgx n ARG 209 Cb 0.21 -1.44 0.44 0.00 -1.02 0.00 0.00 32.46 30.65 1sgx n ARG 209 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1sgx n ASN 210 N -0.94 0.75 -4.30 0.55 2.04 -1.25 -2.23 115.26 109.88 1sgx n ASN 210 Ca 0.15 -0.65 -0.36 0.00 -0.44 0.00 0.00 54.58 53.27 1sgx n ASN 210 Cb 0.07 0.06 -0.13 0.00 -2.53 0.00 0.00 39.78 37.25 1sgx n ASN 210 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1sgx s ASP 211 N -2.58 4.72 0.55 0.53 2.15 -0.91 -4.86 116.67 116.27 1sgx s ASP 211 Ca 0.23 -0.66 0.30 0.00 0.43 0.00 0.00 52.55 52.86 1sgx s ASP 211 Cb 0.19 -1.79 1.58 0.00 -0.30 0.00 0.00 42.92 42.60 1sgx s ASP 211 CO 0.53 -0.13 2.11 1.55 -0.17 0.00 0.00 175.17 179.06 1sgx h PRO 212 N 8.15 0.00 -0.51 4.34 0.13 -1.87 -1.05 132.00 141.19 1sgx h PRO 212 Ca -0.34 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1sgx h PRO 212 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1sgx h PRO 212 CO 0.59 0.09 0.13 0.87 -0.23 0.00 0.00 178.00 179.45 1sgx h LYS 213 N 0.00 0.81 0.06 0.86 1.57 -1.94 0.32 116.57 118.26 1sgx h LYS 213 Ca -0.00 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1sgx h LYS 213 Cb 0.30 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1sgx h LYS 213 CO 0.01 0.78 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.72 1sgx h TYR 214 N 0.70 -0.07 -0.42 -1.35 3.20 -1.64 -2.18 116.97 115.21 1sgx h TYR 214 Ca 0.16 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1sgx h TYR 214 Cb 0.33 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1sgx h TYR 214 CO 0.02 0.40 0.28 0.28 -1.64 0.00 0.00 178.16 177.50 1sgx h VAL 215 N -0.58 1.11 -0.43 1.81 2.07 -1.23 -0.74 116.25 118.26 1sgx h VAL 215 Ca -0.01 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1sgx h VAL 215 Cb 0.50 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1sgx h VAL 215 CO 0.01 0.10 0.15 1.23 0.02 0.00 0.00 177.57 179.08 1sgx h GLY 216 N 0.56 0.56 1.00 2.17 0.00 -0.97 -0.86 103.07 105.53 1sgx h GLY 216 Ca 0.15 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1sgx h GLY 216 CO -0.03 0.02 0.11 -0.09 0.00 0.00 0.00 176.54 176.54 1sgx h ARG 217 N 0.31 0.87 -0.61 4.80 2.43 -1.00 -1.47 114.38 119.70 1sgx h ARG 217 Ca 0.20 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1sgx h ARG 217 Cb 0.20 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1sgx h ARG 217 CO -0.21 0.83 0.39 0.28 -1.51 0.00 0.00 179.97 179.75 1sgx h VAL 218 N 0.76 1.12 -0.10 0.20 2.07 -0.84 -2.05 116.25 117.41 1sgx h VAL 218 Ca 0.17 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1sgx h VAL 218 Cb 0.37 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1sgx h VAL 218 CO 0.01 0.14 -0.23 -0.07 0.02 0.00 0.00 177.57 177.44 1sgx h LEU 219 N 0.79 0.16 -1.57 2.57 3.38 -0.84 -0.27 115.31 119.52 1sgx h LEU 219 Ca 0.24 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1sgx h LEU 219 Cb -0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1sgx h LEU 219 CO -0.07 0.40 -0.19 0.77 0.09 0.00 0.00 178.44 179.44 1sgx h SER 220 N 0.16 0.00 0.08 -0.43 4.64 -0.56 -2.26 113.55 115.17 1sgx h SER 220 Ca 0.03 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.13 1sgx h SER 220 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1sgx h SER 220 CO 0.03 0.19 -1.11 0.00 -0.87 0.00 0.00 176.83 175.07 1sgx h ALA 221 N 1.81 0.15 0.00 5.18 0.00 -1.00 -3.37 119.26 122.02 1sgx h ALA 221 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1sgx h ALA 221 Cb 0.51 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1sgx h ALA 221 CO 0.03 0.64 0.00 -1.33 0.00 0.00 0.00 179.25 178.58 1sgx n MET 222 N -4.15 0.05 0.17 0.00 2.00 -0.19 -2.89 117.12 112.11 1sgx n MET 222 Ca -0.23 0.18 0.12 0.00 0.00 0.00 0.00 57.70 57.77 1sgx n MET 222 Cb 0.79 -1.58 0.23 0.00 0.00 0.00 0.00 33.22 32.65 1sgx n MET 222 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1sgx h ILE 223 N 0.00 0.00 -3.06 2.02 1.08 -1.60 -1.22 117.51 114.73 1sgx h ILE 223 Ca 0.00 -0.83 -0.65 0.00 -0.39 0.00 0.00 64.86 62.99 1sgx h ILE 223 Cb 0.40 1.78 -0.09 0.00 -3.07 0.00 0.00 36.82 35.84 1sgx h ILE 223 CO 0.00 0.00 -0.56 0.54 -0.69 0.00 0.00 178.15 177.44 1sgx s ASN 224 N -5.59 5.79 0.20 1.72 2.20 -1.14 -1.16 114.94 116.95 1sgx s ASN 224 Ca 0.08 0.17 0.24 0.00 -0.94 0.00 0.00 52.86 52.41 1sgx s ASN 224 Cb 0.08 -1.68 0.91 0.00 -2.00 0.00 0.00 41.25 38.55 1sgx s ASN 224 CO 0.66 0.26 1.73 -1.54 -2.94 0.00 0.00 177.10 175.27 1sgx n SER 225 N 1.09 0.62 -4.72 3.54 3.41 0.19 -3.63 113.62 114.12 1sgx n SER 225 Ca -0.12 0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 58.68 1sgx n SER 225 Cb 0.53 -0.76 -0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1sgx n SER 225 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sgx n ASN 226 N -2.14 3.00 0.00 4.04 4.13 -1.26 -3.12 115.26 119.91 1sgx n ASN 226 Ca 0.04 1.20 0.00 0.00 1.68 0.00 0.00 54.58 57.50 1sgx n ASN 226 Cb 0.31 -1.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.03 1sgx n ASN 226 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1sgx n ASP 227 N 0.63 0.00 -0.31 6.41 9.92 -1.26 -4.55 116.55 127.39 1sgx n ASP 227 Ca 0.04 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.33 1sgx n ASP 227 Cb 0.37 -0.09 0.04 0.00 -0.64 0.00 0.00 41.12 40.79 1sgx n ASP 227 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1sgx n ASP 228 N 0.15 0.69 -1.05 -2.24 5.68 -1.22 -4.98 116.55 113.58 1sgx n ASP 228 Ca 0.00 -2.17 -0.11 0.00 -0.50 0.00 0.00 54.79 52.01 1sgx n ASP 228 Cb 0.00 -0.23 -0.03 0.00 -1.14 0.00 0.00 41.12 39.72 1sgx n ASP 228 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1sgx n ASN 229 N -0.39 -4.04 -3.29 -1.12 5.03 -1.18 -4.85 115.26 105.42 1sgx n ASN 229 Ca 0.04 0.15 -0.25 0.00 0.87 0.00 0.00 54.58 55.39 1sgx n ASN 229 Cb 0.64 -2.85 0.24 0.00 -1.02 0.00 0.00 39.78 36.79 1sgx n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sgx n GLY 230 N -1.34 -3.33 0.27 7.41 0.00 -1.21 -4.80 105.19 102.18 1sgx n GLY 230 Ca -0.12 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 1sgx n GLY 230 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sgx h VAL 231 N -3.33 0.28 -3.35 1.61 2.07 -1.29 -3.37 116.25 108.86 1sgx h VAL 231 Ca -0.32 -0.57 -0.67 0.00 0.82 0.00 0.00 66.70 65.96 1sgx h VAL 231 Cb 1.07 0.43 -0.17 0.00 -1.52 0.00 0.00 31.29 31.10 1sgx h VAL 231 CO 0.19 0.06 -0.63 -0.76 0.02 0.00 0.00 177.57 176.44 1sgx s LEU 232 N -9.34 3.49 -0.31 2.57 1.43 -0.31 -1.01 118.68 115.21 1sgx s LEU 232 Ca -0.12 0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 1sgx s LEU 232 Cb 0.01 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1sgx s LEU 232 CO 0.40 0.31 0.27 0.00 0.23 0.00 0.00 176.35 177.56 1sgx s ALA 233 N -0.49 3.52 0.53 4.21 0.00 -0.55 0.55 121.76 129.53 1sgx s ALA 233 Ca 0.08 -1.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.72 1sgx s ALA 233 Cb -0.12 -2.64 -0.06 0.00 0.00 0.00 0.00 23.12 20.30 1sgx s ALA 233 CO 0.02 -0.78 1.06 0.20 0.00 0.00 0.00 175.76 176.25 1sgx s GLY 234 N 1.73 2.38 -0.30 0.00 0.00 -1.26 -1.12 107.32 108.74 1sgx s GLY 234 Ca 0.09 0.55 -0.10 0.00 0.00 0.00 0.00 44.72 45.26 1sgx s GLY 234 CO 0.11 0.87 0.74 0.21 0.00 0.00 0.00 173.10 175.03 1sgx s ASN 235 N -2.26 -1.03 -0.17 1.64 3.04 -0.93 -4.81 114.94 110.41 1sgx s ASN 235 Ca 0.66 1.22 0.15 0.00 0.04 0.00 0.00 52.86 54.94 1sgx s ASN 235 Cb -0.17 2.09 0.43 0.00 -1.54 0.00 0.00 41.25 42.07 1sgx s ASN 235 CO 0.27 -0.20 1.20 0.79 -3.04 0.00 0.00 177.10 176.12 1sgx n TRP 236 N 5.34 0.48 0.10 0.43 8.01 -1.26 -4.73 117.44 125.82 1sgx n TRP 236 Ca -0.09 -1.41 0.07 0.00 -1.31 0.00 0.00 57.50 54.76 1sgx n TRP 236 Cb 0.50 -0.24 0.00 0.00 -2.01 0.00 0.00 31.31 29.57 1sgx n TRP 236 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1sgx h SER 237 N 1.28 0.00 0.00 -0.99 4.64 -2.00 -3.46 113.55 113.02 1sgx h SER 237 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1sgx h SER 237 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1sgx h SER 237 CO 0.15 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 1sgx n GLY 238 N 1.24 0.91 3.06 -0.77 0.00 -1.26 -5.02 105.19 103.35 1sgx n GLY 238 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1sgx n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgx s THR 239 N -2.24 1.75 -0.40 2.61 2.01 -1.26 -4.88 115.64 113.24 1sgx s THR 239 Ca 0.00 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.30 1sgx s THR 239 Cb 0.00 -1.61 0.46 0.00 0.01 0.00 0.00 72.50 71.36 1sgx s THR 239 CO 0.00 0.49 1.43 -1.22 -0.69 0.00 0.00 174.62 174.63 1sgx n TYR 240 N 4.67 2.84 -1.84 4.92 4.02 -1.26 -5.00 117.16 125.50 1sgx n TYR 240 Ca -0.19 -2.43 -0.41 0.00 -0.01 0.00 0.00 57.90 54.87 1sgx n TYR 240 Cb 0.50 -0.66 0.00 0.00 -0.02 0.00 0.00 39.34 39.17 1sgx n TYR 240 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1sgx s THR 241 N -4.63 2.13 0.00 -0.72 2.01 -1.26 -2.21 115.64 110.96 1sgx s THR 241 Ca 0.55 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.67 1sgx s THR 241 Cb 0.44 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1sgx s THR 241 CO 0.02 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 1sgx n GLY 242 N 0.52 0.76 0.00 4.40 0.00 -1.26 -4.97 105.19 104.63 1sgx n GLY 242 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1sgx n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgx n GLY 243 N -2.25 2.09 3.76 -0.02 0.00 -0.94 -4.85 105.19 102.98 1sgx n GLY 243 Ca 0.00 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 1sgx n GLY 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sgx s ARG 244 N 0.81 2.99 0.10 1.61 0.52 0.14 -4.84 118.95 120.28 1sgx s ARG 244 Ca 0.00 -0.52 -0.31 0.00 -0.52 0.00 0.00 55.73 54.38 1sgx s ARG 244 Cb 0.00 -2.81 -0.09 0.00 0.52 0.00 0.00 34.95 32.57 1sgx s ARG 244 CO 0.00 0.64 1.73 0.34 0.02 0.00 0.00 175.30 178.03 1sgx s ASP 245 N -1.71 6.52 0.55 0.23 3.68 -1.26 -1.87 116.67 122.82 1sgx s ASP 245 Ca 0.22 2.61 0.37 0.00 2.13 0.00 0.00 52.55 57.88 1sgx s ASP 245 Cb -0.12 -2.57 1.53 0.00 -1.45 0.00 0.00 42.92 40.32 1sgx s ASP 245 CO 0.13 -0.94 1.77 -0.65 0.13 0.00 0.00 175.17 175.61 1sgx h PRO 246 N 8.35 0.00 0.00 4.34 0.11 -1.92 0.46 132.00 143.34 1sgx h PRO 246 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sgx h PRO 246 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sgx h PRO 246 CO 0.94 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.73 1sgx h ARG 247 N 0.00 0.00 0.00 1.05 2.47 -1.90 -3.29 114.38 112.71 1sgx h ARG 247 Ca 0.56 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 59.19 1sgx h ARG 247 Cb 2.33 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.64 1sgx h ARG 247 CO -0.01 0.00 -0.42 0.66 0.56 0.00 0.00 179.97 180.76 1sgx h SER 248 N 0.00 0.00 -4.03 7.04 4.64 -1.24 -3.46 113.55 116.50 1sgx h SER 248 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1sgx h SER 248 Cb 0.67 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.90 1sgx h SER 248 CO 0.00 0.42 0.60 0.79 -0.87 0.00 0.00 176.83 177.78 1sgx n TRP 249 N -3.30 2.30 -0.00 4.77 7.02 -1.24 -4.80 117.44 122.19 1sgx n TRP 249 Ca 0.01 0.43 0.00 0.00 -1.02 0.00 0.00 57.50 56.92 1sgx n TRP 249 Cb 0.64 -2.36 0.00 0.00 -2.42 0.00 0.00 31.31 27.17 1sgx n TRP 249 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1sgx n ASN 250 N -1.05 0.30 -3.01 -0.99 3.02 -1.26 -5.06 115.26 107.22 1sgx n ASN 250 Ca 0.11 -0.65 -0.02 0.00 -0.03 0.00 0.00 54.58 53.99 1sgx n ASN 250 Cb 0.45 0.69 0.02 0.00 -0.61 0.00 0.00 39.78 40.33 1sgx n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sgx n GLY 251 N 0.69 0.64 0.07 7.41 0.00 -1.26 -1.03 105.19 111.71 1sgx n GLY 251 Ca 0.00 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 45.04 1sgx n GLY 251 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sgx n SER 252 N -1.14 0.68 0.36 1.61 7.64 -0.11 -4.44 113.62 118.23 1sgx n SER 252 Ca -0.01 0.08 -0.18 0.00 1.01 0.00 0.00 58.87 59.77 1sgx n SER 252 Cb 0.49 0.57 -0.09 0.00 -1.01 0.00 0.00 64.21 64.17 1sgx n SER 252 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1sgx h VAL 253 N 0.00 0.34 -0.64 0.44 2.07 -1.76 -1.35 116.25 115.35 1sgx h VAL 253 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1sgx h VAL 253 Cb 0.84 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1sgx h VAL 253 CO 0.00 0.00 0.38 -0.33 0.02 0.00 0.00 177.57 177.64 1sgx h GLU 254 N -0.89 0.87 0.39 1.57 4.39 -1.95 -1.41 114.58 117.55 1sgx h GLU 254 Ca -0.09 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 1sgx h GLU 254 Cb 0.69 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1sgx h GLU 254 CO 0.15 0.62 -0.19 0.82 -1.16 0.00 0.00 179.01 179.25 1sgx h ILE 255 N 0.89 0.62 -0.87 3.13 2.04 -1.75 -0.81 117.51 120.76 1sgx h ILE 255 Ca 0.23 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1sgx h ILE 255 Cb -0.02 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1sgx h ILE 255 CO -0.04 0.06 0.44 -0.07 0.00 0.00 0.00 178.15 178.53 1sgx h LEU 256 N -0.69 1.12 -0.89 1.44 3.38 -1.08 -1.26 115.31 117.33 1sgx h LEU 256 Ca -0.05 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 1sgx h LEU 256 Cb 0.49 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1sgx h LEU 256 CO 0.09 0.92 -0.50 0.11 0.09 0.00 0.00 178.44 179.15 1sgx h LYS 257 N 1.23 0.13 -0.06 1.13 1.57 -1.24 -2.32 116.57 117.01 1sgx h LYS 257 Ca 0.30 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.82 1sgx h LYS 257 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1sgx h LYS 257 CO -0.04 0.61 -0.74 -0.91 -0.57 0.00 0.00 179.45 177.79 1sgx h ASN 258 N 0.11 0.41 -0.02 0.86 2.35 -0.74 0.11 115.58 118.66 1sgx h ASN 258 Ca 0.00 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1sgx h ASN 258 Cb 0.92 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.17 1sgx h ASN 258 CO 0.07 1.01 0.01 -0.25 -1.65 0.00 0.00 177.43 176.63 1sgx h TRP 259 N 0.23 0.03 -0.00 1.19 7.01 -1.07 0.34 115.95 123.69 1sgx h TRP 259 Ca -0.03 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1sgx h TRP 259 Cb 1.31 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 28.36 1sgx h TRP 259 CO 0.04 0.11 0.00 -0.22 -2.79 0.00 0.00 178.44 175.58 1sgx h LYS 260 N -0.05 0.00 -0.45 2.65 3.64 -1.38 0.12 116.57 121.10 1sgx h LYS 260 Ca 0.01 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1sgx h LYS 260 Cb 0.09 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1sgx h LYS 260 CO -0.00 0.20 0.31 -0.22 -2.27 0.00 0.00 179.45 177.47 1sgx h LYS 261 N -0.20 0.28 -0.36 1.90 3.64 -0.87 -1.73 116.57 119.24 1sgx h LYS 261 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1sgx h LYS 261 Cb 0.20 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1sgx h LYS 261 CO -0.00 0.18 0.00 -1.13 -2.27 0.00 0.00 179.45 176.23 1sgx n SER 262 N -4.47 1.70 -0.96 4.20 3.41 0.10 -4.87 113.62 112.73 1sgx n SER 262 Ca 0.07 -2.05 -0.07 0.00 -0.26 0.00 0.00 58.87 56.56 1sgx n SER 262 Cb 0.32 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1sgx n SER 262 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sgx n GLY 263 N 0.87 0.18 2.24 5.00 0.00 -0.65 -3.55 105.19 109.29 1sgx n GLY 263 Ca 0.10 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 1sgx n GLY 263 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sgx n LEU 264 N -1.22 -1.43 -4.91 0.99 4.77 0.41 -5.03 117.00 110.58 1sgx n LEU 264 Ca -0.06 0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.68 1sgx n LEU 264 Cb 0.55 -1.87 -0.01 0.00 -2.33 0.00 0.00 43.42 39.76 1sgx n LEU 264 CO 0.12 -0.20 0.37 -0.94 -1.33 0.00 0.00 177.39 175.42 1sgx s SER 265 N -2.53 6.33 0.33 -1.43 1.04 -1.23 -4.78 113.70 111.43 1sgx s SER 265 Ca 0.00 0.86 -0.28 0.00 0.48 0.00 0.00 55.95 57.01 1sgx s SER 265 Cb 0.00 -2.21 -0.12 0.00 0.10 0.00 0.00 66.02 63.78 1sgx s SER 265 CO 0.00 -0.46 1.28 -2.65 0.98 0.00 0.00 173.24 172.38 1sgx n PRO 266 N -1.89 2.08 -3.39 4.02 -0.02 -1.26 -4.72 135.00 129.82 1sgx n PRO 266 Ca -0.00 0.73 -0.38 0.00 -2.02 0.00 0.00 63.50 61.82 1sgx n PRO 266 Cb 0.55 -2.30 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 1sgx n PRO 266 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sgx s VAL 267 N -1.05 5.19 -0.18 -1.45 1.01 -0.18 -4.88 120.40 118.86 1sgx s VAL 267 Ca 0.56 0.67 -0.05 0.00 0.00 0.00 0.00 61.98 63.17 1sgx s VAL 267 Cb -0.58 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1sgx s VAL 267 CO 0.62 0.22 -0.01 -0.13 0.00 0.00 0.00 175.10 175.80 1sgx s ARG 268 N 1.54 3.66 0.28 2.72 0.52 -1.26 -1.49 118.95 124.93 1sgx s ARG 268 Ca 0.18 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 1sgx s ARG 268 Cb -0.15 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1sgx s ARG 268 CO 0.08 0.12 0.14 0.71 0.02 0.00 0.00 175.30 176.37 1sgx s TYR 269 N 0.70 1.54 0.17 -0.53 2.02 -0.78 0.28 117.35 120.75 1sgx s TYR 269 Ca -0.01 -1.31 0.02 0.00 -0.37 0.00 0.00 57.07 55.40 1sgx s TYR 269 Cb -0.14 -0.85 -0.05 0.00 -0.40 0.00 0.00 41.96 40.52 1sgx s TYR 269 CO 0.02 -0.47 -0.00 0.20 -1.57 0.00 0.00 175.55 173.73 1sgx s GLY 270 N -3.34 1.20 0.33 0.71 0.00 -0.28 -4.08 107.32 101.87 1sgx s GLY 270 Ca 0.37 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.54 1sgx s GLY 270 CO 0.16 -1.53 0.12 1.20 0.00 0.00 0.00 173.10 173.05 1sgx s GLN 271 N -3.91 1.68 0.31 2.90 -0.21 -1.26 -2.19 119.66 116.98 1sgx s GLN 271 Ca 0.23 -1.97 0.07 0.00 0.02 0.00 0.00 55.36 53.71 1sgx s GLN 271 Cb 0.06 -0.42 0.88 0.00 1.00 0.00 0.00 33.01 34.53 1sgx s GLN 271 CO 0.04 -0.39 1.63 0.00 -2.12 0.00 0.00 175.29 174.44 1sgx h TRP 273 N 0.16 0.00 -0.09 0.00 0.09 -1.98 -0.94 115.95 113.19 1sgx h TRP 273 Ca 0.64 0.00 -0.13 0.00 0.09 0.00 0.00 58.89 59.49 1sgx h TRP 273 Cb 1.39 0.00 0.01 0.00 0.08 0.00 0.00 29.16 30.64 1sgx h TRP 273 CO -0.23 0.20 -0.44 0.28 0.09 0.00 0.00 178.44 178.34 1sgx h VAL 274 N 0.00 1.39 -0.61 0.12 2.07 -1.24 0.15 116.25 118.12 1sgx h VAL 274 Ca -0.00 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 1sgx h VAL 274 Cb 0.68 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 1sgx h VAL 274 CO 0.03 0.53 0.35 -0.26 0.02 0.00 0.00 177.57 178.24 1sgx h PHE 275 N 0.03 0.83 -0.43 1.57 0.04 -1.20 -1.57 116.94 116.22 1sgx h PHE 275 Ca -0.03 -0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.59 1sgx h PHE 275 Cb 1.09 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1sgx h PHE 275 CO 0.12 0.59 -0.27 0.00 -0.60 0.00 0.00 178.31 178.15 1sgx h ALA 276 N 1.17 0.71 -0.56 2.45 0.00 -1.10 -0.33 119.26 121.60 1sgx h ALA 276 Ca 0.22 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1sgx h ALA 276 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1sgx h ALA 276 CO -0.04 0.67 -0.07 0.78 0.00 0.00 0.00 179.25 180.59 1sgx h GLY 277 N 0.88 1.12 1.24 0.00 0.00 -0.52 -0.31 103.07 105.49 1sgx h GLY 277 Ca 0.09 -0.87 -0.16 0.00 0.00 0.00 0.00 47.33 46.40 1sgx h GLY 277 CO 0.07 0.79 -0.43 -0.84 0.00 0.00 0.00 176.54 176.13 1sgx h THR 278 N 0.93 1.28 -0.46 4.70 2.02 -1.18 -2.54 112.91 117.66 1sgx h THR 278 Ca 0.15 -1.61 -0.10 0.00 0.77 0.00 0.00 66.41 65.62 1sgx h THR 278 Cb 0.63 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1sgx h THR 278 CO 0.04 0.53 -0.12 0.25 0.37 0.00 0.00 175.52 176.59 1sgx h LEU 279 N 0.66 0.85 -0.58 2.58 5.85 -0.86 -2.53 115.31 121.27 1sgx h LEU 279 Ca 0.04 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1sgx h LEU 279 Cb 1.01 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1sgx h LEU 279 CO 0.10 0.98 0.34 -1.13 -0.34 0.00 0.00 178.44 178.39 1sgx h ASN 280 N 0.76 0.70 -0.24 1.25 -0.73 -0.94 -0.76 115.58 115.63 1sgx h ASN 280 Ca 0.12 -0.07 0.02 0.00 1.87 0.00 0.00 56.30 58.25 1sgx h ASN 280 Cb 0.63 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 39.02 1sgx h ASN 280 CO 0.04 0.56 0.08 0.74 -0.37 0.00 0.00 177.43 178.49 1sgx h THR 281 N 0.78 0.94 -0.21 -3.57 2.02 -1.18 -0.30 112.91 111.39 1sgx h THR 281 Ca 0.21 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.33 1sgx h THR 281 Cb -0.00 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1sgx h THR 281 CO -0.04 0.04 0.10 0.00 0.37 0.00 0.00 175.52 175.99 1sgx h ALA 282 N 1.15 0.25 0.25 6.16 0.00 -1.06 -0.43 119.26 125.58 1sgx h ALA 282 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1sgx h ALA 282 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1sgx h ALA 282 CO -0.10 -0.32 -0.12 -0.07 0.00 0.00 0.00 179.25 178.64 1sgx h LEU 283 N 0.21 -0.29 -1.25 0.00 3.38 -0.87 -1.95 115.31 114.55 1sgx h LEU 283 Ca 0.09 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1sgx h LEU 283 Cb 0.03 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1sgx h LEU 283 CO -0.07 -0.21 0.18 0.03 0.09 0.00 0.00 178.44 178.47 1sgx h ARG 284 N -0.34 0.70 -0.68 1.13 3.08 -0.95 -0.42 114.38 116.90 1sgx h ARG 284 Ca -0.03 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 1sgx h ARG 284 Cb 0.27 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1sgx h ARG 284 CO 0.05 0.59 0.16 0.66 -1.07 0.00 0.00 179.97 180.36 1sgx h SER 285 N 0.69 1.03 0.76 7.04 4.64 -0.87 -2.44 113.55 124.39 1sgx h SER 285 Ca 0.17 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1sgx h SER 285 Cb 0.16 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1sgx h SER 285 CO -0.01 0.99 0.00 0.18 -0.87 0.00 0.00 176.83 177.12 1sgx n LEU 286 N -4.23 0.00 0.00 5.97 4.77 -0.75 -4.91 117.00 117.85 1sgx n LEU 286 Ca 0.05 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1sgx n LEU 286 Cb 0.26 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1sgx n LEU 286 CO 0.42 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1sgx n GLY 287 N 1.35 0.98 3.52 -0.72 0.00 -0.80 -1.96 105.19 107.56 1sgx n GLY 287 Ca 0.11 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1sgx n GLY 287 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgx s ILE 288 N -2.00 5.07 0.21 -0.61 1.01 -0.23 -4.33 121.20 120.30 1sgx s ILE 288 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 60.65 60.31 1sgx s ILE 288 Cb 0.00 -3.97 -0.14 0.00 0.01 0.00 0.00 42.46 38.36 1sgx s ILE 288 CO 0.00 -0.29 1.40 -2.65 0.00 0.00 0.00 174.94 173.40 1sgx n PRO 289 N 5.64 1.87 -3.48 2.79 -0.02 -1.26 -3.74 135.00 136.80 1sgx n PRO 289 Ca -0.07 0.67 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1sgx n PRO 289 Cb 0.48 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1sgx n PRO 289 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sgx s SER 290 N 0.38 -0.50 0.20 2.55 1.04 -0.75 -0.63 113.70 115.99 1sgx s SER 290 Ca 0.72 -0.02 -0.10 0.00 0.48 0.00 0.00 55.95 57.02 1sgx s SER 290 Cb -0.70 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 1sgx s SER 290 CO 0.48 -0.91 0.37 0.00 0.98 0.00 0.00 173.24 174.15 1sgx s ARG 291 N -3.56 1.34 -0.20 4.02 1.70 -0.70 -4.61 118.95 116.95 1sgx s ARG 291 Ca 0.00 -1.23 -0.10 0.00 -0.47 0.00 0.00 55.73 53.94 1sgx s ARG 291 Cb -0.00 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 1sgx s ARG 291 CO -0.11 -0.52 0.13 0.08 -1.08 0.00 0.00 175.30 173.79 1sgx s VAL 292 N -4.00 5.39 -0.07 4.99 1.01 -1.26 -1.66 120.40 124.80 1sgx s VAL 292 Ca 0.21 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1sgx s VAL 292 Cb 0.02 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1sgx s VAL 292 CO 0.05 0.45 -0.13 -0.63 0.00 0.00 0.00 175.10 174.84 1sgx s ILE 293 N 0.32 3.16 -0.15 2.22 -1.09 0.66 -4.37 121.20 121.96 1sgx s ILE 293 Ca 0.08 -0.67 0.02 0.00 -2.23 0.00 0.00 60.65 57.85 1sgx s ILE 293 Cb -0.11 -2.27 0.01 0.00 -1.58 0.00 0.00 42.46 38.51 1sgx s ILE 293 CO -0.02 0.57 -0.20 -0.89 -1.23 0.00 0.00 174.94 173.18 1sgx s THR 294 N -0.45 2.24 -0.23 2.92 2.01 0.48 -0.74 115.64 121.87 1sgx s THR 294 Ca 0.06 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1sgx s THR 294 Cb -0.12 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.49 1sgx s THR 294 CO 0.02 0.54 -0.06 0.21 -0.69 0.00 0.00 174.62 174.64 1sgx s ASN 295 N 0.84 4.21 0.27 3.53 3.04 -0.40 -0.48 114.94 125.96 1sgx s ASN 295 Ca -0.06 -0.65 -0.19 0.00 0.04 0.00 0.00 52.86 52.00 1sgx s ASN 295 Cb -0.15 -1.68 -0.09 0.00 -1.54 0.00 0.00 41.25 37.79 1sgx s ASN 295 CO -0.02 -0.08 0.76 -0.36 -3.04 0.00 0.00 177.10 174.37 1sgx s PHE 296 N 1.39 3.56 -1.15 0.43 0.40 -0.98 -0.88 117.98 120.76 1sgx s PHE 296 Ca 0.03 1.39 -0.04 0.00 -0.60 0.00 0.00 56.93 57.71 1sgx s PHE 296 Cb -0.15 -2.64 -0.03 0.00 0.51 0.00 0.00 43.02 40.71 1sgx s PHE 296 CO -0.05 0.24 0.91 0.09 0.70 0.00 0.00 175.22 177.11 1sgx n ASN 297 N 0.34 -4.14 -4.66 1.36 4.13 -0.27 -1.42 115.26 110.60 1sgx n ASN 297 Ca 0.00 -0.72 -0.41 0.00 1.68 0.00 0.00 54.58 55.14 1sgx n ASN 297 Cb 0.52 -4.89 -0.05 0.00 -1.54 0.00 0.00 39.78 33.82 1sgx n ASN 297 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1sgx s SER 298 N -3.88 6.75 0.23 6.41 0.15 -0.71 -1.05 113.70 121.62 1sgx s SER 298 Ca 0.23 0.92 -0.13 0.00 0.70 0.00 0.00 55.95 57.68 1sgx s SER 298 Cb -0.04 -2.38 -0.08 0.00 -1.71 0.00 0.00 66.02 61.81 1sgx s SER 298 CO 0.76 -0.33 0.61 0.00 1.20 0.00 0.00 173.24 175.48 1sgx s ALA 299 N 2.07 3.49 -0.48 5.45 0.00 -0.87 -0.00 121.76 131.42 1sgx s ALA 299 Ca 0.31 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1sgx s ALA 299 Cb -0.16 -2.58 0.12 0.00 0.00 0.00 0.00 23.12 20.51 1sgx s ALA 299 CO 0.10 0.43 0.22 -1.58 0.00 0.00 0.00 175.76 174.94 1sgx s HIS 300 N -1.76 3.39 -0.28 0.00 5.04 0.18 -3.79 115.29 118.07 1sgx s HIS 300 Ca 0.47 -3.03 -0.28 0.00 -1.54 0.00 0.00 55.06 50.67 1sgx s HIS 300 Cb -0.12 -2.92 0.01 0.00 0.04 0.00 0.00 32.58 29.59 1sgx s HIS 300 CO 0.20 -0.82 1.04 0.34 -2.34 0.00 0.00 174.74 173.15 1sgx s ASP 301 N 0.26 6.97 0.02 9.88 3.68 -1.26 -4.86 116.67 131.36 1sgx s ASP 301 Ca 0.15 1.14 0.22 0.00 2.13 0.00 0.00 52.55 56.20 1sgx s ASP 301 Cb -0.23 -2.53 -0.02 0.00 -1.45 0.00 0.00 42.92 38.69 1sgx s ASP 301 CO -0.03 -0.78 0.98 0.35 0.13 0.00 0.00 175.17 175.83 1sgx n THR 302 N 5.63 0.08 -2.51 1.71 -2.24 -1.26 -4.45 114.28 111.24 1sgx n THR 302 Ca 0.11 -0.16 -0.06 0.00 -2.27 0.00 0.00 64.05 61.68 1sgx n THR 302 Cb 0.47 0.45 0.05 0.00 -2.10 0.00 0.00 70.33 69.19 1sgx n THR 302 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1sgx n ASP 303 N -1.78 2.44 -1.35 3.42 5.68 -1.26 -5.06 116.55 118.63 1sgx n ASP 303 Ca 0.02 -2.59 -0.02 0.00 -0.50 0.00 0.00 54.79 51.70 1sgx n ASP 303 Cb 0.40 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1sgx n ASP 303 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1sgx n ARG 304 N -0.54 -0.11 -0.10 0.11 1.85 -1.26 -4.84 116.66 111.77 1sgx n ARG 304 Ca 0.18 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 57.10 1sgx n ARG 304 Cb 0.88 -0.11 0.00 0.00 -1.05 0.00 0.00 32.46 32.18 1sgx n ARG 304 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1sgx n ASN 305 N 0.85 0.11 -2.69 2.89 6.94 -1.26 -5.00 115.26 117.09 1sgx n ASN 305 Ca -0.01 -1.26 -0.19 0.00 -0.02 0.00 0.00 54.58 53.10 1sgx n ASN 305 Cb 0.04 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1sgx n ASN 305 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1sgx n LEU 306 N -0.04 -1.91 -3.76 -4.53 4.77 -1.26 -4.96 117.00 105.31 1sgx n LEU 306 Ca 0.00 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.77 1sgx n LEU 306 Cb 0.53 -2.67 -0.11 0.00 -2.33 0.00 0.00 43.42 38.84 1sgx n LEU 306 CO 0.00 -0.03 -0.04 -0.55 -1.33 0.00 0.00 177.39 175.44 1sgx s SER 307 N -2.30 -0.32 0.03 -1.43 0.15 -1.26 -1.39 113.70 107.17 1sgx s SER 307 Ca 0.13 0.62 0.08 0.00 0.70 0.00 0.00 55.95 57.48 1sgx s SER 307 Cb -0.06 0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 64.82 1sgx s SER 307 CO 0.16 -0.12 -0.24 0.68 1.20 0.00 0.00 173.24 174.92 1sgx s VAL 308 N 0.39 1.91 -0.06 4.45 -7.23 -0.54 -4.85 120.40 114.48 1sgx s VAL 308 Ca -0.02 -1.23 -0.01 0.00 -1.81 0.00 0.00 61.98 58.91 1sgx s VAL 308 Cb -0.04 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1sgx s VAL 308 CO -0.02 0.36 0.02 -1.81 -0.31 0.00 0.00 175.10 173.34 1sgx s ASP 309 N -1.04 5.32 -0.05 4.85 1.01 -1.26 -0.95 116.67 124.54 1sgx s ASP 309 Ca 0.10 0.12 0.03 0.00 0.71 0.00 0.00 52.55 53.51 1sgx s ASP 309 Cb -0.09 -1.49 0.00 0.00 1.01 0.00 0.00 42.92 42.36 1sgx s ASP 309 CO 0.01 0.34 -0.14 -0.69 0.21 0.00 0.00 175.17 174.90 1sgx s VAL 310 N -0.98 1.26 0.14 -1.27 1.01 0.23 -4.45 120.40 116.34 1sgx s VAL 310 Ca 0.16 -0.59 0.11 0.00 0.00 0.00 0.00 61.98 61.66 1sgx s VAL 310 Cb -0.11 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1sgx s VAL 310 CO 0.06 0.38 -0.26 -0.31 0.00 0.00 0.00 175.10 174.97 1sgx s TYR 311 N 0.34 2.26 0.05 5.22 1.51 -1.25 0.23 117.35 125.71 1sgx s TYR 311 Ca -0.09 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.56 1sgx s TYR 311 Cb -0.13 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 1sgx s TYR 311 CO 0.03 0.37 0.03 0.71 -1.11 0.00 0.00 175.55 175.58 1sgx s TYR 312 N -1.24 0.37 0.36 2.71 1.51 -0.70 -1.52 117.35 118.84 1sgx s TYR 312 Ca 0.15 -0.82 0.07 0.00 -1.01 0.00 0.00 57.07 55.46 1sgx s TYR 312 Cb -0.09 -0.27 -0.01 0.00 -0.11 0.00 0.00 41.96 41.48 1sgx s TYR 312 CO 0.07 -0.39 0.41 0.16 -1.11 0.00 0.00 175.55 174.69 1sgx s ASP 313 N -2.61 5.56 0.59 2.29 1.47 -0.73 -0.75 116.67 122.48 1sgx s ASP 313 Ca 0.02 -0.41 0.29 0.00 1.18 0.00 0.00 52.55 53.63 1sgx s ASP 313 Cb 0.04 -0.96 1.49 0.00 -0.34 0.00 0.00 42.92 43.15 1sgx s ASP 313 CO -0.08 -0.49 1.91 -0.65 0.68 0.00 0.00 175.17 176.54 1sgx h PRO 314 N 0.99 0.00 -0.02 2.11 0.11 -1.92 -0.76 132.00 132.52 1sgx h PRO 314 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sgx h PRO 314 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1sgx h PRO 314 CO 0.54 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.00 1sgx n MET 315 N -3.67 1.17 -0.50 1.05 2.81 -1.26 -4.77 117.12 111.95 1sgx n MET 315 Ca 0.07 -0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 1sgx n MET 315 Cb 0.63 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 1sgx n MET 315 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sgx n GLY 316 N 0.98 0.74 3.73 3.03 0.00 -0.29 -3.94 105.19 109.44 1sgx n GLY 316 Ca 0.20 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1sgx n GLY 316 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sgx s ASN 317 N -2.06 6.98 0.46 1.61 0.01 -1.25 -4.21 114.94 116.47 1sgx s ASN 317 Ca 0.00 1.17 -0.22 0.00 -0.71 0.00 0.00 52.86 53.10 1sgx s ASN 317 Cb 0.00 -2.39 -0.08 0.00 0.41 0.00 0.00 41.25 39.19 1sgx s ASN 317 CO 0.00 -0.04 1.09 -2.84 -1.51 0.00 0.00 177.10 173.81 1sgx s PRO 318 N 0.45 3.83 -0.05 -0.60 0.02 -1.26 -1.78 135.00 135.61 1sgx s PRO 318 Ca 0.35 1.57 -0.02 0.00 0.02 0.00 0.00 61.00 62.92 1sgx s PRO 318 Cb -0.18 -2.31 -0.04 0.00 0.02 0.00 0.00 34.50 31.99 1sgx s PRO 318 CO 0.18 -0.44 0.07 -0.51 -0.33 0.00 0.00 177.00 175.97 1sgx s LEU 319 N -3.13 3.90 0.32 -5.54 1.43 -0.58 -4.89 118.68 110.20 1sgx s LEU 319 Ca 0.64 0.21 0.09 0.00 -1.03 0.00 0.00 54.13 54.05 1sgx s LEU 319 Cb -0.23 -2.09 0.86 0.00 0.03 0.00 0.00 46.19 44.76 1sgx s LEU 319 CO 0.28 0.33 1.76 0.44 0.23 0.00 0.00 176.35 179.39 1sgx h ASP 320 N 4.62 0.69 -2.59 2.29 5.19 -1.95 -3.10 116.42 121.57 1sgx h ASP 320 Ca -0.51 0.11 -0.55 0.00 -0.62 0.00 0.00 57.03 55.47 1sgx h ASP 320 Cb 1.20 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 1sgx h ASP 320 CO 0.59 0.17 1.09 -0.75 -3.12 0.00 0.00 179.24 177.23 1sgx s LYS 321 N -5.76 4.18 0.00 3.56 2.47 -1.26 -1.80 119.74 121.13 1sgx s LYS 321 Ca -0.11 2.23 0.00 0.00 -1.56 0.00 0.00 55.97 56.54 1sgx s LYS 321 Cb 0.26 -3.98 0.00 0.00 -1.46 0.00 0.00 37.83 32.65 1sgx s LYS 321 CO 0.80 -0.85 0.00 0.41 0.16 0.00 0.00 175.35 175.87 1sgx n GLY 322 N 4.16 1.39 0.28 5.54 0.00 -1.26 -3.89 105.19 111.41 1sgx n GLY 322 Ca 0.17 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.38 1sgx n GLY 322 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sgx h SER 323 N 0.00 0.00 0.00 1.61 4.64 -1.27 -2.61 113.55 115.93 1sgx h SER 323 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sgx h SER 323 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sgx h SER 323 CO 0.00 0.00 -0.07 -0.90 -0.87 0.00 0.00 176.83 174.99 1sgx n ASP 324 N -2.94 1.96 0.09 4.97 3.85 -1.25 -4.27 116.55 118.95 1sgx n ASP 324 Ca -0.01 -2.81 0.13 0.00 -0.71 0.00 0.00 54.79 51.39 1sgx n ASP 324 Cb 0.18 -0.35 0.45 0.00 -1.35 0.00 0.00 41.12 40.05 1sgx n ASP 324 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1sgx n SER 325 N -1.14 0.62 -3.79 -1.12 7.64 -0.98 -4.45 113.62 110.41 1sgx n SER 325 Ca 0.12 0.57 -0.29 0.00 1.01 0.00 0.00 58.87 60.29 1sgx n SER 325 Cb 0.61 -0.74 -0.16 0.00 -1.01 0.00 0.00 64.21 62.92 1sgx n SER 325 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sgx s VAL 326 N -3.11 0.89 0.46 0.44 1.01 -1.26 0.47 120.40 119.30 1sgx s VAL 326 Ca 0.10 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 1sgx s VAL 326 Cb 0.13 -1.44 -0.10 0.00 0.00 0.00 0.00 36.38 34.98 1sgx s VAL 326 CO 0.54 -0.34 0.99 0.26 0.00 0.00 0.00 175.10 176.55 1sgx s TRP 327 N 1.66 3.17 0.43 5.22 0.52 0.99 -4.57 118.94 126.37 1sgx s TRP 327 Ca 0.02 1.59 0.11 0.00 0.02 0.00 0.00 56.10 57.83 1sgx s TRP 327 Cb -0.18 -2.94 0.94 0.00 -1.15 0.00 0.00 33.47 30.14 1sgx s TRP 327 CO -0.13 -0.46 2.01 -0.91 0.02 0.00 0.00 176.95 177.48 1sgx h ASN 328 N 1.66 0.19 -4.54 2.95 4.21 -1.15 -1.85 115.58 117.05 1sgx h ASN 328 Ca -0.49 -0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.03 1sgx h ASN 328 Cb 1.20 -0.05 -0.20 0.00 -1.12 0.00 0.00 38.32 38.15 1sgx h ASN 328 CO 0.60 0.26 0.40 0.72 -1.29 0.00 0.00 177.43 178.12 1sgx s PHE 329 N -4.95 -0.47 -0.02 1.19 -0.12 -1.26 -1.12 117.98 111.23 1sgx s PHE 329 Ca -0.06 0.71 -0.01 0.00 -0.05 0.00 0.00 56.93 57.53 1sgx s PHE 329 Cb 0.16 0.46 0.02 0.00 -0.63 0.00 0.00 43.02 43.03 1sgx s PHE 329 CO 0.71 -0.49 0.05 -1.58 -0.05 0.00 0.00 175.22 173.86 1sgx s HIS 330 N -1.61 -0.01 -0.08 3.49 2.46 -0.06 -4.85 115.29 114.64 1sgx s HIS 330 Ca -0.04 0.17 -0.02 0.00 0.47 0.00 0.00 55.06 55.64 1sgx s HIS 330 Cb -0.00 -0.16 -0.03 0.00 -0.13 0.00 0.00 32.58 32.25 1sgx s HIS 330 CO 0.02 -0.08 0.02 0.08 -2.47 0.00 0.00 174.74 172.31 1sgx s VAL 331 N 0.85 4.45 0.00 0.89 1.01 -1.26 -1.27 120.40 125.06 1sgx s VAL 331 Ca -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1sgx s VAL 331 Cb -0.10 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1sgx s VAL 331 CO -0.03 0.57 0.00 -2.67 0.00 0.00 0.00 175.10 172.97 1sgx n TRP 332 N 1.98 -0.25 -4.45 5.22 2.14 0.08 -4.60 117.44 117.57 1sgx n TRP 332 Ca -0.18 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.17 1sgx n TRP 332 Cb 0.54 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.93 1sgx n TRP 332 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 1sgx s ASN 333 N -0.74 2.78 -0.03 -0.67 -0.87 0.13 -0.24 114.94 115.29 1sgx s ASN 333 Ca 0.00 -1.25 0.01 0.00 -1.57 0.00 0.00 52.86 50.05 1sgx s ASN 333 Cb 0.00 -0.17 0.02 0.00 -0.02 0.00 0.00 41.25 41.08 1sgx s ASN 333 CO 0.00 -0.41 -0.04 -1.61 -2.57 0.00 0.00 177.10 172.48 1sgx s GLU 334 N -3.76 0.62 0.12 -0.60 2.02 -0.66 -1.03 118.70 115.41 1sgx s GLU 334 Ca 0.32 -0.08 0.07 0.00 0.02 0.00 0.00 54.97 55.30 1sgx s GLU 334 Cb 0.05 -0.67 -0.04 0.00 0.10 0.00 0.00 34.13 33.58 1sgx s GLU 334 CO 0.13 -0.05 -0.08 0.20 0.02 0.00 0.00 175.26 175.48 1sgx s GLY 335 N 0.73 1.79 -0.29 -1.39 0.00 0.63 -1.72 107.32 107.07 1sgx s GLY 335 Ca -0.09 -1.27 -0.07 0.00 0.00 0.00 0.00 44.72 43.29 1sgx s GLY 335 CO -0.00 -1.26 0.08 0.86 0.00 0.00 0.00 173.10 172.77 1sgx s TRP 336 N -1.34 3.14 -0.08 1.90 -0.11 0.19 0.93 118.94 123.57 1sgx s TRP 336 Ca 0.23 -0.96 -0.30 0.00 1.22 0.00 0.00 56.10 56.29 1sgx s TRP 336 Cb -0.11 -2.25 0.12 0.00 -1.50 0.00 0.00 33.47 29.73 1sgx s TRP 336 CO 0.15 -0.57 0.97 -0.59 -4.62 0.00 0.00 176.95 172.29 1sgx s PHE 337 N 1.50 -0.32 0.65 5.86 -0.12 -0.93 -4.43 117.98 120.20 1sgx s PHE 337 Ca 0.03 0.31 -0.14 0.00 -0.05 0.00 0.00 56.93 57.08 1sgx s PHE 337 Cb -0.17 0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 42.72 1sgx s PHE 337 CO 0.02 -0.43 1.07 0.14 -0.05 0.00 0.00 175.22 175.98 1sgx s VAL 338 N -2.42 3.66 -0.62 -2.49 -7.23 -0.62 -2.52 120.40 108.15 1sgx s VAL 338 Ca 0.04 0.69 0.02 0.00 -1.81 0.00 0.00 61.98 60.92 1sgx s VAL 338 Cb -0.01 -3.26 0.16 0.00 0.56 0.00 0.00 36.38 33.83 1sgx s VAL 338 CO -0.05 -0.55 0.41 -0.13 -0.31 0.00 0.00 175.10 174.46 1sgx s ARG 339 N -4.39 2.38 0.54 4.82 1.81 -1.26 -4.91 118.95 117.94 1sgx s ARG 339 Ca 0.63 -2.80 0.36 0.00 -1.72 0.00 0.00 55.73 52.19 1sgx s ARG 339 Cb -0.17 -3.53 1.71 0.00 -0.45 0.00 0.00 34.95 32.52 1sgx s ARG 339 CO 0.44 -1.18 2.07 0.66 -0.68 0.00 0.00 175.30 176.62 1sgx h SER 340 N 6.40 0.00 1.24 0.23 4.64 -1.95 -0.43 113.55 123.68 1sgx h SER 340 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sgx h SER 340 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1sgx h SER 340 CO 0.72 0.00 -0.52 -2.24 -0.87 0.00 0.00 176.83 173.91 1sgx h ASP 341 N 0.00 0.00 0.00 4.97 2.03 -2.02 -3.38 116.42 118.02 1sgx h ASP 341 Ca 0.00 -0.07 -0.24 0.00 -0.73 0.00 0.00 57.03 55.99 1sgx h ASP 341 Cb 0.26 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.71 1sgx h ASP 341 CO 0.00 0.04 -1.89 0.18 -1.03 0.00 0.00 179.24 176.53 1sgx n LEU 342 N -2.53 2.17 0.00 0.15 4.77 -0.70 -5.06 117.00 115.80 1sgx n LEU 342 Ca 0.03 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1sgx n LEU 342 Cb 0.49 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1sgx n LEU 342 CO 0.36 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1sgx n GLY 343 N 2.60 3.00 0.30 -0.72 0.00 -0.25 -4.88 105.19 105.24 1sgx n GLY 343 Ca -0.26 -1.89 0.17 0.00 0.00 0.00 0.00 46.02 44.04 1sgx n GLY 343 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sgx h PRO 344 N 0.00 0.00 -0.00 1.61 0.11 -1.96 -2.88 132.00 128.88 1sgx h PRO 344 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1sgx h PRO 344 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1sgx h PRO 344 CO 0.00 0.03 -0.31 -1.13 -0.21 0.00 0.00 178.00 176.38 1sgx n SER 345 N -3.50 0.55 -1.07 -2.05 3.41 -1.26 -4.06 113.62 105.64 1sgx n SER 345 Ca -0.02 -0.35 0.09 0.00 -0.26 0.00 0.00 58.87 58.32 1sgx n SER 345 Cb 0.13 0.07 0.26 0.00 -0.26 0.00 0.00 64.21 64.41 1sgx n SER 345 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1sgx n TYR 346 N -1.21 0.80 -1.61 7.33 4.02 -1.09 -4.87 117.16 120.54 1sgx n TYR 346 Ca 0.09 -0.51 -0.30 0.00 -0.01 0.00 0.00 57.90 57.17 1sgx n TYR 346 Cb 0.33 -0.03 0.20 0.00 -0.02 0.00 0.00 39.34 39.82 1sgx n TYR 346 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1sgx s GLY 347 N -1.01 1.70 0.00 2.72 0.00 -1.26 -4.59 107.32 104.87 1sgx s GLY 347 Ca 0.39 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1sgx s GLY 347 CO 0.25 -0.27 0.00 0.61 0.00 0.00 0.00 173.10 173.69 1sgx n GLY 348 N -2.68 0.46 3.74 0.20 0.00 -1.05 -4.86 105.19 101.00 1sgx n GLY 348 Ca 0.14 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1sgx n GLY 348 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sgx s TRP 349 N 0.00 3.13 -0.07 1.61 0.52 -1.26 -2.19 118.94 120.69 1sgx s TRP 349 Ca 0.00 1.10 0.02 0.00 0.02 0.00 0.00 56.10 57.24 1sgx s TRP 349 Cb 0.00 -3.72 0.01 0.00 -1.15 0.00 0.00 33.47 28.61 1sgx s TRP 349 CO 0.00 -2.33 -0.13 -0.65 0.02 0.00 0.00 176.95 173.86 1sgx s GLN 350 N -0.19 1.83 0.13 4.98 -1.52 0.27 -2.27 119.66 122.89 1sgx s GLN 350 Ca 0.58 -0.45 -0.31 0.00 -1.95 0.00 0.00 55.36 53.23 1sgx s GLN 350 Cb -0.39 -1.51 -0.08 0.00 -0.22 0.00 0.00 33.01 30.81 1sgx s GLN 350 CO 0.40 0.03 1.31 0.08 -0.25 0.00 0.00 175.29 176.86 1sgx s VAL 351 N 0.68 3.47 -0.04 1.09 1.01 0.46 -0.27 120.40 126.79 1sgx s VAL 351 Ca -0.14 1.10 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1sgx s VAL 351 Cb -0.16 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.54 1sgx s VAL 351 CO 0.04 0.11 -0.01 -0.76 0.00 0.00 0.00 175.10 174.48 1sgx s LEU 352 N 0.71 1.04 -0.14 3.92 1.43 -0.19 -2.16 118.68 123.29 1sgx s LEU 352 Ca 0.61 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 1sgx s LEU 352 Cb -0.35 -0.32 0.04 0.00 0.03 0.00 0.00 46.19 45.60 1sgx s LEU 352 CO 0.32 -0.12 0.00 -0.62 0.23 0.00 0.00 176.35 176.17 1sgx s ASP 353 N 1.24 2.39 0.00 2.29 -1.08 -1.00 -0.69 116.67 119.82 1sgx s ASP 353 Ca -0.06 -0.50 0.27 0.00 -0.52 0.00 0.00 52.55 51.73 1sgx s ASP 353 Cb -0.13 -0.62 0.89 0.00 -1.46 0.00 0.00 42.92 41.60 1sgx s ASP 353 CO -0.02 -0.23 1.66 0.00 0.52 0.00 0.00 175.17 177.09 1sgx n ALA 354 N 5.04 3.02 -2.26 3.66 0.00 -1.26 -3.65 120.51 125.06 1sgx n ALA 354 Ca -0.09 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 1sgx n ALA 354 Cb 0.48 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 1sgx n ALA 354 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1sgx s THR 355 N -2.63 3.71 -1.01 0.00 2.01 -1.26 -4.26 115.64 112.20 1sgx s THR 355 Ca 0.22 1.15 -0.23 0.00 0.31 0.00 0.00 61.69 63.15 1sgx s THR 355 Cb 0.19 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.97 1sgx s THR 355 CO 0.54 0.03 1.67 -2.16 -0.69 0.00 0.00 174.62 174.01 1sgx s PRO 356 N 1.86 3.21 -0.15 4.92 0.04 -1.26 -4.67 135.00 138.95 1sgx s PRO 356 Ca 0.63 -0.90 -0.10 0.00 0.04 0.00 0.00 61.00 60.67 1sgx s PRO 356 Cb -0.32 -5.26 -0.07 0.00 0.04 0.00 0.00 34.50 28.89 1sgx s PRO 356 CO 0.27 -2.70 -0.23 1.04 0.04 0.00 0.00 177.00 175.42 1sgx n GLN 357 N 8.81 0.37 -4.58 4.56 6.02 -1.26 -5.04 117.38 126.26 1sgx n GLN 357 Ca 0.37 0.16 -0.23 0.00 -0.01 0.00 0.00 57.00 57.29 1sgx n GLN 357 Cb 0.49 -1.12 -0.16 0.00 1.02 0.00 0.00 30.24 30.47 1sgx n GLN 357 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1sgx s GLU 358 N -2.39 1.28 0.54 -1.09 2.56 -1.26 -5.13 118.70 113.20 1sgx s GLU 358 Ca -0.23 -0.44 -0.20 0.00 0.00 0.00 0.00 54.97 54.10 1sgx s GLU 358 Cb 0.08 -1.16 -0.06 0.00 2.00 0.00 0.00 34.13 34.99 1sgx s GLU 358 CO 0.30 0.18 1.13 1.03 -0.56 0.00 0.00 175.26 177.34 1sgx s ARG 359 N 0.08 3.39 -0.12 4.30 0.52 -1.26 -4.33 118.95 121.54 1sgx s ARG 359 Ca -0.03 1.61 -0.04 0.00 -0.52 0.00 0.00 55.73 56.76 1sgx s ARG 359 Cb -0.09 -2.03 0.06 0.00 0.52 0.00 0.00 34.95 33.40 1sgx s ARG 359 CO 0.01 -0.82 0.15 0.45 0.02 0.00 0.00 175.30 175.11 1sgx s SER 360 N -1.76 1.18 -1.40 0.23 0.15 0.17 -4.83 113.70 107.44 1sgx s SER 360 Ca 0.72 0.04 -0.09 0.00 0.70 0.00 0.00 55.95 57.32 1sgx s SER 360 Cb -0.24 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.25 1sgx s SER 360 CO 0.27 -0.28 1.10 0.00 1.20 0.00 0.00 173.24 175.53 1sgx n GLN 361 N 5.31 -7.35 0.00 5.44 6.02 -1.26 -2.59 117.38 122.94 1sgx n GLN 361 Ca -0.05 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 1sgx n GLN 361 Cb 0.50 -5.82 0.00 0.00 1.02 0.00 0.00 30.24 25.93 1sgx n GLN 361 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sgx n GLY 362 N -1.92 2.92 3.49 1.08 0.00 -1.26 -5.03 105.19 104.47 1sgx n GLY 362 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1sgx n GLY 362 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sgx s VAL 363 N -2.12 1.57 -0.84 1.61 -7.23 -1.07 -4.99 120.40 107.33 1sgx s VAL 363 Ca 0.00 -2.04 -0.24 0.00 -1.81 0.00 0.00 61.98 57.88 1sgx s VAL 363 Cb 0.00 -2.75 0.05 0.00 0.56 0.00 0.00 36.38 34.24 1sgx s VAL 363 CO 0.00 -0.09 1.28 -0.36 -0.31 0.00 0.00 175.10 175.62 1sgx s PHE 364 N -3.03 2.50 0.10 2.82 0.40 -1.26 0.42 117.98 119.92 1sgx s PHE 364 Ca 0.34 -0.52 -0.11 0.00 -0.60 0.00 0.00 56.93 56.04 1sgx s PHE 364 Cb 0.07 -4.58 0.01 0.00 0.51 0.00 0.00 43.02 39.04 1sgx s PHE 364 CO 0.15 -1.92 0.27 1.14 0.70 0.00 0.00 175.22 175.56 1sgx s GLN 365 N 4.96 0.94 -0.27 0.44 -2.07 -1.26 -4.23 119.66 118.17 1sgx s GLN 365 Ca 0.37 -0.89 -0.12 0.00 -1.82 0.00 0.00 55.36 52.90 1sgx s GLN 365 Cb -0.06 0.39 0.10 0.00 -1.09 0.00 0.00 33.01 32.35 1sgx s GLN 365 CO 0.03 -0.33 0.63 0.00 -1.32 0.00 0.00 175.29 174.31 1sgx n GLY 367 N 4.89 -0.08 3.75 0.00 0.00 -1.26 -2.36 105.19 110.13 1sgx n GLY 367 Ca -0.16 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 1sgx n GLY 367 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sgx s PRO 368 N -1.13 4.53 -0.16 1.61 0.04 -1.25 -4.55 135.00 134.09 1sgx s PRO 368 Ca 0.00 1.91 0.01 0.00 0.04 0.00 0.00 61.00 62.96 1sgx s PRO 368 Cb 0.00 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.38 1sgx s PRO 368 CO 0.00 0.02 -0.16 0.00 0.04 0.00 0.00 177.00 176.90 1sgx s ALA 369 N -0.73 2.01 0.08 8.56 0.00 -0.92 -0.48 121.76 130.28 1sgx s ALA 369 Ca 0.49 -1.00 -0.31 0.00 0.00 0.00 0.00 51.96 51.13 1sgx s ALA 369 Cb -0.34 -1.09 -0.11 0.00 0.00 0.00 0.00 23.12 21.59 1sgx s ALA 369 CO 0.42 -0.36 1.86 0.45 0.00 0.00 0.00 175.76 178.13 1sgx n SER 370 N 4.71 3.95 -0.21 0.00 2.88 -1.26 -0.41 113.62 123.28 1sgx n SER 370 Ca -0.18 0.97 -0.07 0.00 -1.33 0.00 0.00 58.87 58.25 1sgx n SER 370 Cb 0.50 -1.51 0.03 0.00 -0.75 0.00 0.00 64.21 62.48 1sgx n SER 370 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1sgx h VAL 371 N 4.95 1.22 -0.47 2.46 2.07 -1.76 -1.37 116.25 123.34 1sgx h VAL 371 Ca -0.47 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.44 1sgx h VAL 371 Cb 1.23 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1sgx h VAL 371 CO 0.94 0.26 0.25 0.40 0.02 0.00 0.00 177.57 179.44 1sgx h ILE 372 N 0.81 0.99 -0.33 4.57 2.04 -1.81 -1.49 117.51 122.29 1sgx h ILE 372 Ca 0.20 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1sgx h ILE 372 Cb 0.15 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1sgx h ILE 372 CO -0.02 0.09 0.17 1.23 0.00 0.00 0.00 178.15 179.62 1sgx h GLY 373 N 0.50 0.48 1.04 5.37 0.00 -1.77 -2.48 103.07 106.21 1sgx h GLY 373 Ca 0.20 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1sgx h GLY 373 CO -0.13 0.19 -0.27 -2.08 0.00 0.00 0.00 176.54 174.25 1sgx h VAL 374 N 0.45 1.28 -0.16 4.60 2.07 -0.29 -1.38 116.25 122.83 1sgx h VAL 374 Ca 0.12 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 1sgx h VAL 374 Cb 0.04 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1sgx h VAL 374 CO -0.02 0.47 -0.01 -0.09 0.02 0.00 0.00 177.57 177.94 1sgx h ARG 375 N 0.62 0.23 -0.01 1.57 2.43 -0.90 -2.30 114.38 116.02 1sgx h ARG 375 Ca 0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1sgx h ARG 375 Cb 0.85 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1sgx h ARG 375 CO 0.07 0.27 -0.13 0.39 -1.51 0.00 0.00 179.97 179.07 1sgx n GLU 376 N -4.39 1.38 -1.53 0.20 -0.58 -1.00 -4.54 120.64 110.19 1sgx n GLU 376 Ca -0.01 -0.87 -0.08 0.00 -0.42 0.00 0.00 57.16 55.78 1sgx n GLU 376 Cb 0.18 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 1sgx n GLU 376 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sgx n GLY 377 N 1.27 0.71 2.35 0.62 0.00 -0.87 -4.89 105.19 104.39 1sgx n GLY 377 Ca 0.15 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1sgx n GLY 377 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sgx n ASP 378 N 0.57 8.26 0.00 1.61 8.00 -0.57 -4.12 116.55 130.30 1sgx n ASP 378 Ca -0.09 -2.78 0.04 0.00 0.71 0.00 0.00 54.79 52.67 1sgx n ASP 378 Cb 0.37 -1.47 0.23 0.00 -0.02 0.00 0.00 41.12 40.22 1sgx n ASP 378 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1sgx n VAL 379 N 2.80 0.00 0.55 2.53 0.24 -1.26 -2.61 118.33 120.58 1sgx n VAL 379 Ca 0.70 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 63.13 1sgx n VAL 379 Cb 0.29 -0.50 0.21 0.00 -1.47 0.00 0.00 33.84 32.38 1sgx n VAL 379 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 1sgx h GLN 380 N 0.00 0.00 -7.04 7.34 -0.00 -1.93 -3.37 115.11 110.11 1sgx h GLN 380 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 58.65 58.20 1sgx h GLN 380 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.46 1sgx h GLN 380 CO 0.00 0.00 0.34 -0.51 -0.00 0.00 0.00 178.83 178.66 1sgx s LEU 381 N -4.40 3.99 0.43 0.06 1.43 -1.07 -5.05 118.68 114.06 1sgx s LEU 381 Ca 0.07 1.72 -0.23 0.00 -1.03 0.00 0.00 54.13 54.66 1sgx s LEU 381 Cb 0.13 -4.47 -0.09 0.00 0.03 0.00 0.00 46.19 41.79 1sgx s LEU 381 CO 0.70 -0.35 1.07 0.20 0.23 0.00 0.00 176.35 178.20 1sgx s ASN 382 N -2.10 6.56 0.09 2.29 0.02 -1.26 -4.24 114.94 116.31 1sgx s ASN 382 Ca 0.61 2.08 0.09 0.00 -1.02 0.00 0.00 52.86 54.61 1sgx s ASN 382 Cb -0.11 -2.58 -0.03 0.00 0.02 0.00 0.00 41.25 38.54 1sgx s ASN 382 CO 0.15 -0.63 -0.22 -0.36 0.02 0.00 0.00 177.10 176.06 1sgx s PHE 383 N -1.69 1.91 -1.62 2.20 0.40 0.37 -4.65 117.98 114.90 1sgx s PHE 383 Ca 0.61 -0.40 -0.15 0.00 -0.60 0.00 0.00 56.93 56.39 1sgx s PHE 383 Cb -0.22 -1.06 0.12 0.00 0.51 0.00 0.00 43.02 42.36 1sgx s PHE 383 CO 0.28 0.21 0.76 -0.25 0.70 0.00 0.00 175.22 176.92 1sgx n ASP 384 N 1.22 -3.09 0.01 1.36 8.00 -1.26 -4.12 116.55 118.67 1sgx n ASP 384 Ca -0.19 -0.97 -0.13 0.00 0.71 0.00 0.00 54.79 54.22 1sgx n ASP 384 Cb 0.53 -3.02 -0.09 0.00 -0.02 0.00 0.00 41.12 38.53 1sgx n ASP 384 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1sgx h MET 385 N -1.67 0.01 -0.64 -1.24 2.86 -1.81 -2.74 114.93 109.70 1sgx h MET 385 Ca -0.60 -0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.18 1sgx h MET 385 Cb 1.38 -0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.94 1sgx h MET 385 CO 0.74 0.29 0.08 -1.35 1.06 0.00 0.00 176.91 177.73 1sgx h PRO 386 N -0.27 0.19 0.05 -0.22 0.11 -1.91 0.33 132.00 130.27 1sgx h PRO 386 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1sgx h PRO 386 Cb 0.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1sgx h PRO 386 CO 0.00 0.13 -0.02 0.35 -0.21 0.00 0.00 178.00 178.24 1sgx h PHE 387 N 0.20 -0.06 -0.73 0.65 3.57 -1.93 -1.73 116.94 116.91 1sgx h PHE 387 Ca 0.35 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 1sgx h PHE 387 Cb 0.56 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1sgx h PHE 387 CO -0.30 0.09 0.25 0.82 -2.23 0.00 0.00 178.31 176.94 1sgx h ILE 388 N -0.20 1.26 -0.64 1.41 2.04 -1.10 -1.25 117.51 119.02 1sgx h ILE 388 Ca -0.01 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.02 1sgx h ILE 388 Cb 0.17 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 1sgx h ILE 388 CO 0.01 0.34 0.38 0.15 0.00 0.00 0.00 178.15 179.04 1sgx h PHE 389 N 1.07 0.71 -0.29 1.37 3.57 -0.26 -2.20 116.94 120.92 1sgx h PHE 389 Ca 0.24 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 1sgx h PHE 389 Cb 0.28 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1sgx h PHE 389 CO 0.02 0.39 -0.14 0.00 -2.23 0.00 0.00 178.31 176.35 1sgx h ALA 390 N 1.30 1.23 -0.86 2.41 0.00 -0.80 0.83 119.26 123.37 1sgx h ALA 390 Ca 0.27 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1sgx h ALA 390 Cb 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1sgx h ALA 390 CO -0.13 0.50 0.57 0.93 0.00 0.00 0.00 179.25 181.12 1sgx h GLU 391 N 0.45 1.11 0.00 0.00 5.08 -0.61 -1.59 114.58 119.03 1sgx h GLU 391 Ca 0.08 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1sgx h GLU 391 Cb 0.51 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1sgx h GLU 391 CO 0.03 0.73 -1.27 1.33 -1.00 0.00 0.00 179.01 178.84 1sgx n VAL 392 N -4.50 0.11 -2.18 3.13 0.24 -1.09 -2.05 118.33 111.98 1sgx n VAL 392 Ca 0.10 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1sgx n VAL 392 Cb 0.04 0.30 -0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1sgx n VAL 392 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1sgx n ASN 393 N -1.97 0.22 -4.79 -1.34 5.15 0.27 -3.58 115.26 109.22 1sgx n ASN 393 Ca 0.01 -1.86 -0.34 0.00 -0.60 0.00 0.00 54.58 51.79 1sgx n ASN 393 Cb 0.45 -0.13 -0.01 0.00 -0.53 0.00 0.00 39.78 39.56 1sgx n ASN 393 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sgx s ALA 394 N 0.00 2.77 0.36 5.20 0.00 -0.60 -4.89 121.76 124.60 1sgx s ALA 394 Ca 0.12 0.66 -0.16 0.00 0.00 0.00 0.00 51.96 52.58 1sgx s ALA 394 Cb 0.14 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 1sgx s ALA 394 CO -0.06 -0.59 0.80 -0.51 0.00 0.00 0.00 175.76 175.40 1sgx s ASP 395 N -2.04 6.80 -0.21 0.00 1.01 -0.49 -4.49 116.67 117.25 1sgx s ASP 395 Ca 0.69 1.38 -0.03 0.00 0.71 0.00 0.00 52.55 55.30 1sgx s ASP 395 Cb -0.19 -2.42 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 1sgx s ASP 395 CO 0.26 -0.27 -0.07 -0.60 0.21 0.00 0.00 175.17 174.70 1sgx s ARG 396 N -3.12 3.32 -0.20 8.23 3.52 0.27 -1.47 118.95 129.50 1sgx s ARG 396 Ca 0.56 -0.66 -0.08 0.00 -0.13 0.00 0.00 55.73 55.42 1sgx s ARG 396 Cb -0.10 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 1sgx s ARG 396 CO 0.17 -0.18 0.09 0.42 -0.81 0.00 0.00 175.30 174.99 1sgx s ILE 397 N 1.41 4.98 -0.20 4.11 1.01 -0.13 -0.52 121.20 131.86 1sgx s ILE 397 Ca 0.05 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.66 1sgx s ILE 397 Cb -0.14 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1sgx s ILE 397 CO -0.04 0.43 0.08 -0.89 0.00 0.00 0.00 174.94 174.51 1sgx s THR 398 N 0.57 4.82 0.26 2.92 2.01 -0.24 -0.60 115.64 125.38 1sgx s THR 398 Ca 0.05 -0.02 0.12 0.00 0.31 0.00 0.00 61.69 62.15 1sgx s THR 398 Cb -0.12 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1sgx s THR 398 CO 0.01 0.42 -0.20 0.26 -0.69 0.00 0.00 174.62 174.42 1sgx s TRP 399 N 0.69 2.32 -0.06 4.92 0.52 0.14 -0.53 118.94 126.94 1sgx s TRP 399 Ca 0.04 -0.33 0.02 0.00 0.02 0.00 0.00 56.10 55.86 1sgx s TRP 399 Cb -0.13 -1.04 -0.03 0.00 -1.15 0.00 0.00 33.47 31.12 1sgx s TRP 399 CO 0.02 0.66 -0.11 -0.51 0.02 0.00 0.00 176.95 177.02 1sgx s LEU 400 N -3.32 2.90 -0.09 2.99 2.01 -0.23 -1.72 118.68 121.22 1sgx s LEU 400 Ca 0.28 -0.13 -0.04 0.00 0.01 0.00 0.00 54.13 54.25 1sgx s LEU 400 Cb -0.06 -1.61 0.05 0.00 0.01 0.00 0.00 46.19 44.58 1sgx s LEU 400 CO 0.14 0.35 0.18 -0.47 1.01 0.00 0.00 176.35 177.56 1sgx s TYR 401 N -0.72 -0.24 -0.42 0.29 6.14 0.07 -0.83 117.35 121.64 1sgx s TYR 401 Ca 0.11 0.66 -0.07 0.00 0.64 0.00 0.00 57.07 58.41 1sgx s TYR 401 Cb -0.11 -0.14 0.10 0.00 0.42 0.00 0.00 41.96 42.23 1sgx s TYR 401 CO 0.01 -0.25 0.25 0.34 0.64 0.00 0.00 175.55 176.54 1sgx s ASP 402 N 1.88 5.49 0.49 4.32 -1.08 -0.47 -4.23 116.67 123.07 1sgx s ASP 402 Ca -0.02 -1.77 0.15 0.00 -0.52 0.00 0.00 52.55 50.40 1sgx s ASP 402 Cb -0.12 -1.93 1.19 0.00 -1.46 0.00 0.00 42.92 40.61 1sgx s ASP 402 CO -0.07 -0.57 2.10 -1.13 0.52 0.00 0.00 175.17 176.03 1sgx h ASN 403 N 8.28 0.11 -0.84 -0.34 -0.00 -1.93 0.59 115.58 121.46 1sgx h ASN 403 Ca -0.19 -0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.08 1sgx h ASN 403 Cb 1.07 -0.03 -0.04 0.00 -0.00 0.00 0.00 38.32 39.32 1sgx h ASN 403 CO 0.75 0.08 0.42 0.71 -0.00 0.00 0.00 177.43 179.39 1sgx h THR 404 N 0.13 1.26 0.00 -3.57 1.35 -1.96 -2.83 112.91 107.28 1sgx h THR 404 Ca 0.08 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1sgx h THR 404 Cb 0.16 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 1sgx h THR 404 CO -0.01 0.30 -1.08 0.35 -0.25 0.00 0.00 175.52 174.83 1sgx n THR 405 N -4.31 0.01 -0.97 6.82 -2.24 -0.82 -4.95 114.28 107.81 1sgx n THR 405 Ca 0.08 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1sgx n THR 405 Cb 0.13 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1sgx n THR 405 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgx n GLY 406 N 1.47 0.28 3.77 3.38 0.00 0.20 -4.97 105.19 109.32 1sgx n GLY 406 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1sgx n GLY 406 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgx s LYS 407 N -0.93 4.46 -0.07 1.61 1.02 -1.12 -4.91 119.74 119.79 1sgx s LYS 407 Ca 0.00 1.02 0.03 0.00 0.02 0.00 0.00 55.97 57.03 1sgx s LYS 407 Cb 0.00 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.03 1sgx s LYS 407 CO 0.00 0.49 -0.15 -1.14 -0.92 0.00 0.00 175.35 173.63 1sgx s GLN 408 N -0.77 2.04 -0.01 1.68 0.74 -1.26 -1.37 119.66 120.70 1sgx s GLN 408 Ca 0.35 -0.53 -0.00 0.00 0.05 0.00 0.00 55.36 55.23 1sgx s GLN 408 Cb -0.21 -1.63 0.02 0.00 1.10 0.00 0.00 33.01 32.29 1sgx s GLN 408 CO 0.23 0.06 0.02 1.67 -0.55 0.00 0.00 175.29 176.73 1sgx s TRP 409 N 0.58 0.02 0.09 1.67 -2.14 -0.01 -4.98 118.94 114.17 1sgx s TRP 409 Ca -0.16 0.09 -0.31 0.00 2.66 0.00 0.00 56.10 58.38 1sgx s TRP 409 Cb -0.16 -0.15 -0.09 0.00 -3.10 0.00 0.00 33.47 29.97 1sgx s TRP 409 CO 0.05 -0.06 1.74 0.21 -2.66 0.00 0.00 176.95 176.23 1sgx s LYS 410 N 0.68 4.17 -0.26 3.25 2.20 -1.26 -1.07 119.74 127.45 1sgx s LYS 410 Ca -0.06 2.46 -0.08 0.00 -0.36 0.00 0.00 55.97 57.93 1sgx s LYS 410 Cb -0.08 -3.61 -0.13 0.00 -1.51 0.00 0.00 37.83 32.50 1sgx s LYS 410 CO -0.02 -0.79 -0.30 -1.71 -0.36 0.00 0.00 175.35 172.17 1sgx n ASN 411 N 5.68 1.95 -3.74 1.43 2.85 0.31 -4.92 115.26 118.82 1sgx n ASN 411 Ca 0.17 0.16 -0.06 0.00 -0.11 0.00 0.00 54.58 54.75 1sgx n ASN 411 Cb 0.39 -0.65 -0.02 0.00 1.24 0.00 0.00 39.78 40.74 1sgx n ASN 411 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1sgx s SER 412 N -7.08 -0.25 -0.05 1.20 1.04 -1.09 -5.00 113.70 102.48 1sgx s SER 412 Ca -0.36 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 55.69 1sgx s SER 412 Cb 0.12 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.81 1sgx s SER 412 CO 0.51 -1.01 -0.08 -0.69 0.98 0.00 0.00 173.24 172.96 1sgx s VAL 413 N -3.48 0.78 -0.19 5.02 1.01 -1.26 -1.08 120.40 121.20 1sgx s VAL 413 Ca 0.10 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1sgx s VAL 413 Cb -0.03 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.65 1sgx s VAL 413 CO 0.01 0.27 -0.13 0.21 0.00 0.00 0.00 175.10 175.47 1sgx s ASN 414 N 0.66 3.33 -0.03 3.32 3.84 0.33 -4.98 114.94 121.41 1sgx s ASN 414 Ca -0.11 -0.83 0.19 0.00 0.21 0.00 0.00 52.86 52.33 1sgx s ASN 414 Cb -0.14 -1.29 0.60 0.00 -0.55 0.00 0.00 41.25 39.87 1sgx s ASN 414 CO 0.01 -0.11 1.50 -1.54 -2.79 0.00 0.00 177.10 174.18 1sgx n SER 415 N 4.67 3.94 0.00 -4.21 3.41 -1.26 -0.57 113.62 119.60 1sgx n SER 415 Ca -0.16 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 1sgx n SER 415 Cb 0.47 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1sgx n SER 415 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sgx n HIS 416 N 1.26 0.00 0.08 7.33 1.44 -1.26 -4.81 115.22 119.26 1sgx n HIS 416 Ca 0.22 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.90 1sgx n HIS 416 Cb 0.65 0.00 0.18 0.00 0.12 0.00 0.00 29.99 30.94 1sgx n HIS 416 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sgx h THR 417 N 0.00 1.33 -3.68 0.61 1.03 -1.92 -3.45 112.91 106.83 1sgx h THR 417 Ca 0.00 -1.67 -0.50 0.00 -0.01 0.00 0.00 66.41 64.23 1sgx h THR 417 Cb 0.00 1.78 -0.02 0.00 -1.07 0.00 0.00 68.15 68.84 1sgx h THR 417 CO 0.00 0.50 0.36 -0.63 -0.01 0.00 0.00 175.52 175.74 1sgx s ILE 418 N -4.03 4.18 -0.21 0.00 1.01 -1.26 -4.50 121.20 116.39 1sgx s ILE 418 Ca -0.05 2.04 -0.05 0.00 0.00 0.00 0.00 60.65 62.60 1sgx s ILE 418 Cb 0.13 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.30 1sgx s ILE 418 CO 0.78 0.42 0.26 0.61 0.00 0.00 0.00 174.94 177.02 1sgx n GLY 419 N 1.75 -0.88 3.27 6.18 0.00 -0.21 -4.52 105.19 110.78 1sgx n GLY 419 Ca -0.00 0.36 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 1sgx n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sgx s ARG 420 N -2.02 1.08 -1.50 1.61 0.52 -0.51 -4.83 118.95 113.30 1sgx s ARG 420 Ca 0.08 -1.20 -0.01 0.00 -0.52 0.00 0.00 55.73 54.08 1sgx s ARG 420 Cb -0.02 -1.16 0.01 0.00 0.52 0.00 0.00 34.95 34.30 1sgx s ARG 420 CO 0.32 0.25 0.20 0.66 0.02 0.00 0.00 175.30 176.75 1sgx n TYR 421 N 0.81 -1.43 -1.82 -0.53 4.02 -1.26 -2.31 117.16 114.64 1sgx n TYR 421 Ca -0.17 0.67 -0.42 0.00 -0.01 0.00 0.00 57.90 57.97 1sgx n TYR 421 Cb 0.55 -3.17 -0.03 0.00 -0.02 0.00 0.00 39.34 36.67 1sgx n TYR 421 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1sgx s ILE 422 N -4.17 3.27 0.17 -0.72 1.01 -1.26 -4.56 121.20 114.95 1sgx s ILE 422 Ca 0.03 0.33 0.07 0.00 0.00 0.00 0.00 60.65 61.08 1sgx s ILE 422 Cb -0.02 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1sgx s ILE 422 CO 0.95 -0.04 -0.14 -0.44 0.00 0.00 0.00 174.94 175.27 1sgx s SER 423 N 4.17 2.34 0.05 3.58 0.01 0.37 0.32 113.70 124.54 1sgx s SER 423 Ca 0.82 -0.96 -0.16 0.00 1.31 0.00 0.00 55.95 56.96 1sgx s SER 423 Cb -0.38 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 65.78 1sgx s SER 423 CO 0.36 -0.18 0.36 0.28 0.41 0.00 0.00 173.24 174.48 1sgx s THR 424 N -2.76 0.07 0.33 1.44 -1.32 -0.45 -0.38 115.64 112.58 1sgx s THR 424 Ca 0.18 -0.56 -0.29 0.00 -1.21 0.00 0.00 61.69 59.81 1sgx s THR 424 Cb -0.02 -0.97 -0.11 0.00 -1.51 0.00 0.00 72.50 69.90 1sgx s THR 424 CO 0.05 -0.31 1.46 -0.75 -2.21 0.00 0.00 174.62 172.86 1sgx s LYS 425 N -2.61 4.18 0.66 7.08 2.20 -1.26 -1.00 119.74 128.99 1sgx s LYS 425 Ca -0.04 2.47 -0.15 0.00 -0.36 0.00 0.00 55.97 57.88 1sgx s LYS 425 Cb -0.01 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 1sgx s LYS 425 CO -0.03 -0.47 1.13 0.00 -0.36 0.00 0.00 175.35 175.62 1sgx s ALA 426 N -0.76 2.42 -0.03 3.13 0.00 -0.03 -4.75 121.76 121.73 1sgx s ALA 426 Ca 0.55 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 1sgx s ALA 426 Cb -0.45 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 1sgx s ALA 426 CO 0.56 -1.35 1.40 0.08 0.00 0.00 0.00 175.76 176.44 1sgx s VAL 427 N -2.22 3.80 0.00 0.00 1.01 -1.26 -3.19 120.40 118.55 1sgx s VAL 427 Ca 0.69 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1sgx s VAL 427 Cb -0.23 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1sgx s VAL 427 CO 0.41 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1sgx n GLY 428 N 3.68 0.87 3.61 4.51 0.00 -1.26 -4.98 105.19 111.62 1sgx n GLY 428 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1sgx n GLY 428 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgx s SER 429 N -2.86 0.49 0.00 1.61 1.04 -1.19 -5.04 113.70 107.76 1sgx s SER 429 Ca 0.00 -1.30 0.20 0.00 0.48 0.00 0.00 55.95 55.33 1sgx s SER 429 Cb 0.00 0.71 0.56 0.00 0.10 0.00 0.00 66.02 67.39 1sgx s SER 429 CO 0.00 -1.40 1.45 0.59 0.98 0.00 0.00 173.24 174.86 1sgx n ASN 430 N -1.26 2.48 -4.70 7.02 5.03 -1.26 -3.79 115.26 118.78 1sgx n ASN 430 Ca -0.02 -1.88 -0.34 0.00 0.87 0.00 0.00 54.58 53.21 1sgx n ASN 430 Cb 0.61 -0.21 0.12 0.00 -1.02 0.00 0.00 39.78 39.28 1sgx n ASN 430 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sgx s ALA 431 N -1.58 1.91 -0.26 5.41 0.00 -1.26 -4.73 121.76 121.26 1sgx s ALA 431 Ca 0.34 0.87 -0.18 0.00 0.00 0.00 0.00 51.96 52.99 1sgx s ALA 431 Cb 0.19 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1sgx s ALA 431 CO 0.27 -2.19 0.51 0.50 0.00 0.00 0.00 175.76 174.84 1sgx s ARG 432 N -4.07 4.07 -0.26 0.00 3.52 -1.26 -0.85 118.95 120.09 1sgx s ARG 432 Ca 0.74 0.32 -0.09 0.00 -0.13 0.00 0.00 55.73 56.57 1sgx s ARG 432 Cb -0.29 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.42 1sgx s ARG 432 CO 0.49 -0.34 0.12 1.41 -0.81 0.00 0.00 175.30 176.17 1sgx s MET 433 N 2.27 3.73 -0.17 5.12 -2.45 -0.17 -4.89 119.30 122.74 1sgx s MET 433 Ca 0.21 -0.45 -0.24 0.00 -1.25 0.00 0.00 55.69 53.97 1sgx s MET 433 Cb -0.16 -3.46 -0.02 0.00 1.25 0.00 0.00 34.83 32.45 1sgx s MET 433 CO 0.09 -0.21 0.76 0.34 1.05 0.00 0.00 175.02 177.06 1sgx s ASP 434 N 1.66 6.88 -0.19 1.11 -1.08 -1.26 -1.33 116.67 122.46 1sgx s ASP 434 Ca 0.06 1.07 0.14 0.00 -0.52 0.00 0.00 52.55 53.31 1sgx s ASP 434 Cb -0.16 -2.42 0.39 0.00 -1.46 0.00 0.00 42.92 39.28 1sgx s ASP 434 CO 0.06 -0.34 1.24 1.33 0.52 0.00 0.00 175.17 177.98 1sgx n VAL 435 N 4.65 2.14 -0.29 1.11 0.24 0.15 -4.74 118.33 121.58 1sgx n VAL 435 Ca 0.02 -2.70 0.00 0.00 -2.04 0.00 0.00 64.34 59.63 1sgx n VAL 435 Cb 0.49 -0.25 0.13 0.00 -1.47 0.00 0.00 33.84 32.74 1sgx n VAL 435 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1sgx h THR 436 N 0.68 1.03 0.00 3.34 2.02 -1.92 -1.40 112.91 116.66 1sgx h THR 436 Ca 0.03 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1sgx h THR 436 Cb 1.12 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1sgx h THR 436 CO 0.07 0.17 0.00 -2.24 0.37 0.00 0.00 175.52 173.88 1sgx h ASP 437 N 0.90 0.00 1.10 4.18 2.03 -1.85 -1.32 116.42 121.46 1sgx h ASP 437 Ca 0.36 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.51 1sgx h ASP 437 Cb 0.17 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.65 1sgx h ASP 437 CO -0.17 0.00 -0.96 0.11 -1.03 0.00 0.00 179.24 177.19 1sgx h LYS 438 N 0.00 0.00 0.00 4.15 1.79 -1.62 -3.34 116.57 117.55 1sgx h LYS 438 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1sgx h LYS 438 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1sgx h LYS 438 CO 0.00 0.44 -1.19 0.66 -1.08 0.00 0.00 179.45 178.28 1sgx n TYR 439 N -3.08 0.41 -3.46 -1.35 4.02 -0.55 -4.46 117.16 108.69 1sgx n TYR 439 Ca -0.03 0.12 -0.11 0.00 -0.01 0.00 0.00 57.90 57.87 1sgx n TYR 439 Cb 0.80 -0.59 -0.02 0.00 -0.02 0.00 0.00 39.34 39.51 1sgx n TYR 439 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1sgx s LYS 440 N -3.30 1.06 0.68 -0.72 -2.85 -0.88 -3.61 119.74 110.13 1sgx s LYS 440 Ca 0.00 -0.37 -0.11 0.00 -1.00 0.00 0.00 55.97 54.49 1sgx s LYS 440 Cb 0.13 0.49 -0.00 0.00 -2.06 0.00 0.00 37.83 36.39 1sgx s LYS 440 CO 0.82 -0.46 1.05 0.71 0.10 0.00 0.00 175.35 177.57 1sgx s TYR 441 N -3.38 3.20 0.19 1.78 1.51 -1.26 -4.37 117.35 115.02 1sgx s TYR 441 Ca 0.02 1.40 -0.33 0.00 -1.01 0.00 0.00 57.07 57.16 1sgx s TYR 441 Cb -0.01 -2.86 -0.15 0.00 -0.11 0.00 0.00 41.96 38.84 1sgx s TYR 441 CO -0.11 -1.14 1.33 -2.30 -1.11 0.00 0.00 175.55 172.22 1sgx n PRO 442 N -3.04 1.65 -1.93 -1.71 -0.02 -1.26 -4.74 135.00 123.95 1sgx n PRO 442 Ca 0.07 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1sgx n PRO 442 Cb 0.54 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1sgx n PRO 442 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1sgx s GLU 443 N -0.18 4.20 0.00 -0.52 0.41 -1.26 -1.63 118.70 119.71 1sgx s GLU 443 Ca 0.73 2.33 0.00 0.00 -0.41 0.00 0.00 54.97 57.62 1sgx s GLU 443 Cb -0.75 -3.61 0.00 0.00 -1.78 0.00 0.00 34.13 27.99 1sgx s GLU 443 CO 0.49 -0.74 0.00 0.41 -0.49 0.00 0.00 175.26 174.93 1sgx n GLY 444 N 4.00 1.99 3.90 -1.39 0.00 -1.26 -5.09 105.19 107.33 1sgx n GLY 444 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1sgx n GLY 444 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgx s SER 445 N -1.67 5.84 0.16 1.61 1.04 -0.65 -4.98 113.70 115.05 1sgx s SER 445 Ca 0.00 1.02 -0.06 0.00 0.48 0.00 0.00 55.95 57.38 1sgx s SER 445 Cb 0.00 -2.05 0.01 0.00 0.10 0.00 0.00 66.02 64.08 1sgx s SER 445 CO 0.00 -0.98 1.43 0.44 0.98 0.00 0.00 173.24 175.11 1sgx h ASP 446 N -0.24 0.73 -0.81 7.02 3.32 -1.98 -3.12 116.42 121.34 1sgx h ASP 446 Ca -0.45 -0.43 0.09 0.00 0.02 0.00 0.00 57.03 56.26 1sgx h ASP 446 Cb 1.23 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.50 1sgx h ASP 446 CO 0.62 1.18 0.46 1.56 -1.72 0.00 0.00 179.24 181.34 1sgx h GLN 447 N 0.47 0.75 -0.78 3.56 7.50 -1.93 0.79 115.11 125.46 1sgx h GLN 447 Ca -0.01 -0.05 0.03 0.00 0.50 0.00 0.00 58.65 59.12 1sgx h GLN 447 Cb 1.22 -0.17 -0.05 0.00 0.05 0.00 0.00 27.48 28.53 1sgx h GLN 447 CO 0.12 0.50 0.50 1.49 -1.50 0.00 0.00 178.83 179.94 1sgx h GLU 448 N 0.77 0.96 0.00 1.46 4.22 -1.76 0.76 114.58 120.99 1sgx h GLU 448 Ca 0.39 -0.06 -0.17 0.00 0.08 0.00 0.00 59.36 59.60 1sgx h GLU 448 Cb 0.35 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1sgx h GLU 448 CO -0.25 0.63 -0.80 0.00 -2.18 0.00 0.00 179.01 176.41 1sgx h ARG 449 N 0.98 0.00 0.16 1.92 2.47 -1.35 -2.31 114.38 116.25 1sgx h ARG 449 Ca 0.31 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.02 1sgx h ARG 449 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1sgx h ARG 449 CO -0.11 0.80 -0.08 1.96 0.56 0.00 0.00 179.97 183.11 1sgx h GLN 450 N 0.00 -0.20 -0.51 0.04 4.20 -0.26 -1.33 115.11 117.04 1sgx h GLN 450 Ca -0.01 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1sgx h GLN 450 Cb 1.49 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.29 1sgx h GLN 450 CO 0.10 0.13 0.34 0.28 -0.67 0.00 0.00 178.83 179.01 1sgx h VAL 451 N -0.55 1.07 -0.28 -0.54 2.07 -0.93 0.12 116.25 117.20 1sgx h VAL 451 Ca -0.02 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1sgx h VAL 451 Cb 0.42 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1sgx h VAL 451 CO 0.04 0.11 0.09 0.15 0.02 0.00 0.00 177.57 177.97 1sgx h PHE 452 N 0.60 0.45 -0.26 1.57 3.57 -1.20 0.38 116.94 122.05 1sgx h PHE 452 Ca 0.20 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1sgx h PHE 452 Cb 0.07 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1sgx h PHE 452 CO -0.00 0.48 -0.24 1.96 -2.23 0.00 0.00 178.31 178.29 1sgx h GLN 453 N 0.29 0.50 0.25 1.11 1.08 -0.39 -0.31 115.11 117.64 1sgx h GLN 453 Ca 0.09 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1sgx h GLN 453 Cb 0.24 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1sgx h GLN 453 CO -0.00 0.70 -0.12 -0.22 -0.95 0.00 0.00 178.83 178.24 1sgx h LYS 454 N 0.44 -0.32 -0.18 1.46 3.64 -0.47 0.58 116.57 121.72 1sgx h LYS 454 Ca 0.07 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1sgx h LYS 454 Cb 0.65 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1sgx h LYS 454 CO 0.05 -0.15 0.11 0.00 -2.27 0.00 0.00 179.45 177.19 1sgx h ALA 455 N 0.31 0.23 -0.99 5.00 0.00 -0.79 -2.38 119.26 120.62 1sgx h ALA 455 Ca -0.03 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1sgx h ALA 455 Cb 0.32 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1sgx h ALA 455 CO 0.06 -0.27 0.64 1.25 0.00 0.00 0.00 179.25 180.93 1sgx h LEU 456 N 0.22 1.01 -1.53 0.00 5.85 -0.97 -1.22 115.31 118.68 1sgx h LEU 456 Ca 0.06 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1sgx h LEU 456 Cb 0.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1sgx h LEU 456 CO -0.01 0.63 0.03 1.23 -0.34 0.00 0.00 178.44 179.98 1sgx h GLY 457 N 1.14 0.36 2.00 3.75 0.00 -0.39 -1.80 103.07 108.13 1sgx h GLY 457 Ca 0.44 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1sgx h GLY 457 CO -0.18 0.17 0.00 0.28 0.00 0.00 0.00 176.54 176.81 1sgx n LYS 458 N -4.38 0.11 0.00 4.80 5.02 -0.47 -5.10 118.16 118.14 1sgx n LYS 458 Ca 0.00 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1sgx n LYS 458 Cb 0.17 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1sgx n LYS 458 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sgx n LEU 459 N -1.84 0.26 -4.56 -0.35 4.77 -0.68 -4.97 117.00 109.63 1sgx n LEU 459 Ca 0.05 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.73 1sgx n LEU 459 Cb 0.31 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 1sgx n LEU 459 CO 0.24 0.00 -0.42 -0.22 -1.33 0.00 0.00 177.39 175.66 1sgx s LEU 473 N -0.17 3.00 0.13 2.23 1.98 -1.26 -5.04 118.68 119.56 1sgx s LEU 473 Ca 0.00 -0.33 0.06 0.00 -2.89 0.00 0.00 54.13 50.97 1sgx s LEU 473 Cb 0.00 -1.78 -0.04 0.00 0.66 0.00 0.00 46.19 45.03 1sgx s LEU 473 CO 0.00 0.22 -0.14 -1.61 -1.89 0.00 0.00 176.35 172.93 1sgx s GLU 474 N -1.88 1.04 -0.22 1.98 2.02 -1.26 -5.14 118.70 115.25 1sgx s GLU 474 Ca 0.19 -1.28 -0.02 0.00 0.02 0.00 0.00 54.97 53.89 1sgx s GLU 474 Cb -0.11 -0.88 0.01 0.00 0.10 0.00 0.00 34.13 33.25 1sgx s GLU 474 CO 0.11 0.16 -0.09 0.99 0.02 0.00 0.00 175.26 176.45 1sgx s THR 475 N -2.30 2.87 -0.34 3.63 2.01 -1.26 -5.08 115.64 115.18 1sgx s THR 475 Ca 0.10 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 1sgx s THR 475 Cb -0.04 -2.35 0.01 0.00 0.01 0.00 0.00 72.50 70.14 1sgx s THR 475 CO 0.03 0.36 1.14 -1.61 -0.69 0.00 0.00 174.62 173.85 1sgx s GLU 476 N 1.37 3.98 0.63 4.92 2.02 -1.26 -5.02 118.70 125.34 1sgx s GLU 476 Ca 0.03 1.05 -0.11 0.00 0.02 0.00 0.00 54.97 55.96 1sgx s GLU 476 Cb -0.15 -3.80 -0.03 0.00 0.10 0.00 0.00 34.13 30.25 1sgx s GLU 476 CO -0.06 -1.02 1.02 -1.21 0.02 0.00 0.00 175.26 174.01 1sgx s GLU 477 N 3.90 3.46 0.99 1.61 2.02 -1.26 -5.04 118.70 124.37 1sgx s GLU 477 Ca 0.49 0.66 -0.11 0.00 0.02 0.00 0.00 54.97 56.02 1sgx s GLU 477 Cb -0.13 -2.09 0.18 0.00 0.10 0.00 0.00 34.13 32.20 1sgx s GLU 477 CO 0.20 -0.63 1.09 1.14 0.02 0.00 0.00 175.26 177.08 1sgx s GLN 478 N -5.18 0.48 0.05 1.61 -2.07 -1.26 -4.83 119.66 108.46 1sgx s GLN 478 Ca 0.55 1.10 -0.37 0.00 -1.82 0.00 0.00 55.36 54.82 1sgx s GLN 478 Cb -0.11 -1.70 -0.19 0.00 -1.09 0.00 0.00 33.01 29.92 1sgx s GLN 478 CO 0.53 -2.86 0.97 0.39 -1.32 0.00 0.00 175.29 173.01 1sgx n GLU 479 N -4.34 0.08 -1.74 9.60 -0.58 -1.26 -4.79 120.64 117.61 1sgx n GLU 479 Ca 0.07 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.42 1sgx n GLU 479 Cb 0.54 -1.43 -0.01 0.00 -0.57 0.00 0.00 31.44 29.96 1sgx n GLU 479 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1sgx n PRO 480 N 1.45 2.63 -0.03 3.49 -0.02 -1.26 -4.87 135.00 136.38 1sgx n PRO 480 Ca 0.19 0.93 0.01 0.00 -2.02 0.00 0.00 63.50 62.62 1sgx n PRO 480 Cb 0.12 -2.70 0.33 0.00 -0.02 0.00 0.00 33.50 31.24 1sgx n PRO 480 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sgx h SER 481 N 4.53 0.54 -3.55 2.55 0.87 -1.95 -3.43 113.55 113.11 1sgx h SER 481 Ca -0.47 -0.06 -0.67 0.00 -1.23 0.00 0.00 61.79 59.36 1sgx h SER 481 Cb 1.23 -0.14 -0.20 0.00 -0.44 0.00 0.00 62.40 62.85 1sgx h SER 481 CO 0.77 0.50 -0.69 -0.63 -0.53 0.00 0.00 176.83 176.25 1sgx s ILE 482 N -5.26 3.69 -0.02 2.23 -1.09 -1.26 -0.18 121.20 119.30 1sgx s ILE 482 Ca -0.08 -0.47 0.04 0.00 -2.23 0.00 0.00 60.65 57.91 1sgx s ILE 482 Cb 0.16 -2.54 -0.01 0.00 -1.58 0.00 0.00 42.46 38.50 1sgx s ILE 482 CO 0.76 0.57 -0.15 0.27 -1.23 0.00 0.00 174.94 175.16 1sgx s ILE 483 N -0.43 1.17 0.08 2.92 -4.36 -0.98 -4.95 121.20 114.65 1sgx s ILE 483 Ca 0.06 -0.61 -0.01 0.00 -0.26 0.00 0.00 60.65 59.83 1sgx s ILE 483 Cb -0.12 -0.99 -0.04 0.00 1.25 0.00 0.00 42.46 42.56 1sgx s ILE 483 CO 0.02 0.34 -0.01 -0.83 0.24 0.00 0.00 174.94 174.70 1sgx s GLY 484 N -0.19 0.66 -0.09 6.27 0.00 -1.26 -1.93 107.32 110.79 1sgx s GLY 484 Ca 0.02 -1.31 -0.19 0.00 0.00 0.00 0.00 44.72 43.25 1sgx s GLY 484 CO 0.00 -1.35 0.45 1.25 0.00 0.00 0.00 173.10 173.45 1sgx s LYS 485 N -3.95 0.70 -0.17 2.90 2.20 -0.36 -4.91 119.74 116.15 1sgx s LYS 485 Ca 0.13 0.24 -0.06 0.00 -0.36 0.00 0.00 55.97 55.91 1sgx s LYS 485 Cb 0.08 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 1sgx s LYS 485 CO -0.06 -0.16 0.03 -0.51 -0.36 0.00 0.00 175.35 174.29 1sgx s LEU 486 N -0.66 3.66 0.05 5.43 1.43 -1.26 -0.19 118.68 127.14 1sgx s LEU 486 Ca -0.08 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.13 1sgx s LEU 486 Cb -0.03 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1sgx s LEU 486 CO 0.04 0.18 -0.22 -0.54 0.23 0.00 0.00 176.35 176.03 1sgx s LYS 487 N 0.35 1.46 -0.03 1.70 1.02 -0.23 -4.96 119.74 119.06 1sgx s LYS 487 Ca 0.01 -1.03 -0.25 0.00 0.02 0.00 0.00 55.97 54.72 1sgx s LYS 487 Cb -0.13 -1.63 -0.04 0.00 -0.52 0.00 0.00 37.83 35.51 1sgx s LYS 487 CO 0.01 0.41 0.79 0.08 -0.92 0.00 0.00 175.35 175.72 1sgx s VAL 488 N -0.85 4.93 -0.24 3.17 1.01 -1.26 -0.81 120.40 126.35 1sgx s VAL 488 Ca 0.09 1.65 -0.06 0.00 0.00 0.00 0.00 61.98 63.66 1sgx s VAL 488 Cb -0.09 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1sgx s VAL 488 CO 0.02 0.25 0.02 0.00 0.00 0.00 0.00 175.10 175.39 1sgx s ALA 489 N 0.68 2.98 0.00 5.51 0.00 0.12 -4.94 121.76 126.12 1sgx s ALA 489 Ca 0.42 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1sgx s ALA 489 Cb -0.19 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1sgx s ALA 489 CO 0.22 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1sgx n GLY 490 N 4.85 -1.82 3.92 0.00 0.00 -1.26 -4.26 105.19 106.62 1sgx n GLY 490 Ca -0.17 -1.35 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 1sgx n GLY 490 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1sgx s MET 491 N 0.00 3.56 -0.23 1.61 0.23 -1.26 -5.01 119.30 118.20 1sgx s MET 491 Ca 0.00 -0.11 0.01 0.00 -1.03 0.00 0.00 55.69 54.56 1sgx s MET 491 Cb 0.00 -2.61 0.03 0.00 -1.53 0.00 0.00 34.83 30.72 1sgx s MET 491 CO 0.00 0.12 -0.13 -0.51 -2.03 0.00 0.00 175.02 172.48 1sgx s LEU 492 N -4.05 2.85 -0.11 0.18 1.43 -1.26 -4.81 118.68 112.90 1sgx s LEU 492 Ca 0.43 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1sgx s LEU 492 Cb -0.10 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.58 1sgx s LEU 492 CO 0.35 -0.09 0.32 0.00 0.23 0.00 0.00 176.35 177.16 1sgx s ALA 493 N 1.26 -0.80 -0.08 4.21 0.00 -1.26 -0.63 121.76 124.46 1sgx s ALA 493 Ca -0.00 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 1sgx s ALA 493 Cb -0.16 -0.49 -0.07 0.00 0.00 0.00 0.00 23.12 22.40 1sgx s ALA 493 CO -0.08 -0.16 2.09 0.28 0.00 0.00 0.00 175.76 177.89 1sgx n VAL 494 N 2.79 0.58 0.00 0.00 0.31 -0.31 -0.71 118.33 120.99 1sgx n VAL 494 Ca -0.14 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1sgx n VAL 494 Cb 0.58 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.09 1sgx n VAL 494 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sgx n GLY 495 N 5.10 0.77 3.96 2.92 0.00 -1.26 -4.70 105.19 111.98 1sgx n GLY 495 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 1sgx n GLY 495 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgx s LYS 496 N 0.00 3.45 0.61 1.61 1.02 0.11 -4.79 119.74 121.75 1sgx s LYS 496 Ca 0.00 -0.67 -0.14 0.00 0.02 0.00 0.00 55.97 55.18 1sgx s LYS 496 Cb 0.00 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1sgx s LYS 496 CO 0.00 0.38 1.04 -1.83 -0.92 0.00 0.00 175.35 174.01 1sgx s GLU 497 N -4.03 3.39 -0.20 1.68 -1.05 -1.26 -4.41 118.70 112.82 1sgx s GLU 497 Ca 0.35 1.00 -0.11 0.00 -0.15 0.00 0.00 54.97 56.06 1sgx s GLU 497 Cb -0.09 -2.05 -0.05 0.00 -0.44 0.00 0.00 34.13 31.50 1sgx s GLU 497 CO 0.30 -0.74 0.16 0.08 0.95 0.00 0.00 175.26 176.02 1sgx s VAL 498 N -2.80 5.39 -0.17 1.83 1.01 0.11 -4.82 120.40 120.96 1sgx s VAL 498 Ca 0.59 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 1sgx s VAL 498 Cb -0.13 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.79 1sgx s VAL 498 CO 0.44 0.42 -0.08 0.20 0.00 0.00 0.00 175.10 176.09 1sgx s ASN 499 N 0.44 2.94 0.42 3.32 0.01 -1.26 -0.90 114.94 119.91 1sgx s ASN 499 Ca 0.09 -0.69 0.04 0.00 -0.71 0.00 0.00 52.86 51.59 1sgx s ASN 499 Cb -0.11 -1.02 -0.04 0.00 0.41 0.00 0.00 41.25 40.48 1sgx s ASN 499 CO -0.01 -0.16 0.05 -0.76 -1.51 0.00 0.00 177.10 174.72 1sgx s LEU 500 N 1.56 2.30 -0.10 0.60 2.01 0.54 0.16 118.68 125.75 1sgx s LEU 500 Ca 0.01 -1.54 -0.04 0.00 0.01 0.00 0.00 54.13 52.56 1sgx s LEU 500 Cb -0.15 -0.52 0.05 0.00 0.01 0.00 0.00 46.19 45.58 1sgx s LEU 500 CO -0.08 -0.74 0.22 -0.69 1.01 0.00 0.00 176.35 176.06 1sgx s VAL 501 N -3.03 -0.18 -0.31 -1.59 1.01 0.01 -0.73 120.40 115.59 1sgx s VAL 501 Ca 0.23 0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 1sgx s VAL 501 Cb 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 1sgx s VAL 501 CO 0.12 0.09 0.57 -0.22 0.00 0.00 0.00 175.10 175.66 1sgx s LEU 502 N 1.72 4.17 -0.23 3.92 2.96 -0.66 -1.06 118.68 129.49 1sgx s LEU 502 Ca -0.04 0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 54.08 1sgx s LEU 502 Cb -0.11 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.81 1sgx s LEU 502 CO -0.08 -0.43 0.18 -0.76 -1.32 0.00 0.00 176.35 173.94 1sgx s LEU 503 N 2.48 4.12 0.20 -0.68 1.43 0.73 -1.03 118.68 125.93 1sgx s LEU 503 Ca 0.22 0.15 0.11 0.00 -1.03 0.00 0.00 54.13 53.58 1sgx s LEU 503 Cb -0.15 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1sgx s LEU 503 CO 0.12 0.06 -0.21 -0.76 0.23 0.00 0.00 176.35 175.78 1sgx s LEU 504 N 1.05 2.47 -0.21 1.79 1.43 0.52 -1.22 118.68 124.51 1sgx s LEU 504 Ca 0.08 -0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 52.15 1sgx s LEU 504 Cb -0.13 -1.05 0.06 0.00 0.03 0.00 0.00 46.19 45.10 1sgx s LEU 504 CO 0.04 0.05 0.52 -0.75 0.23 0.00 0.00 176.35 176.45 1sgx s LYS 505 N -2.90 0.54 -0.31 1.70 2.20 -0.81 -1.61 119.74 118.54 1sgx s LYS 505 Ca 0.21 0.93 -0.16 0.00 -0.36 0.00 0.00 55.97 56.59 1sgx s LYS 505 Cb -0.06 0.08 -0.02 0.00 -1.51 0.00 0.00 37.83 36.32 1sgx s LYS 505 CO 0.10 -0.14 0.42 1.21 -0.36 0.00 0.00 175.35 176.57 1sgx s ASN 506 N 1.30 6.26 0.00 1.43 2.47 -0.71 -2.33 114.94 123.36 1sgx s ASN 506 Ca -0.08 0.08 0.24 0.00 0.42 0.00 0.00 52.86 53.52 1sgx s ASN 506 Cb -0.07 -2.23 0.27 0.00 -1.45 0.00 0.00 41.25 37.78 1sgx s ASN 506 CO -0.13 -0.31 1.31 0.18 -3.72 0.00 0.00 177.10 174.43 1sgx n LEU 507 N 5.47 2.93 -4.93 3.21 4.77 0.74 0.12 117.00 129.32 1sgx n LEU 507 Ca -0.07 -1.01 -0.27 0.00 -0.03 0.00 0.00 56.01 54.63 1sgx n LEU 507 Cb 0.50 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1sgx n LEU 507 CO 0.40 0.50 0.67 -0.94 -1.33 0.00 0.00 177.39 176.70 1sgx s SER 508 N -1.95 4.59 0.00 -1.43 1.04 -1.25 -4.79 113.70 109.91 1sgx s SER 508 Ca 0.30 0.47 0.20 0.00 0.48 0.00 0.00 55.95 57.40 1sgx s SER 508 Cb 0.20 -1.02 0.63 0.00 0.10 0.00 0.00 66.02 65.93 1sgx s SER 508 CO 0.30 -1.77 1.49 0.54 0.98 0.00 0.00 173.24 174.78 1sgx n ARG 509 N -3.07 1.92 -4.38 4.02 5.12 -1.26 -4.05 116.66 114.96 1sgx n ARG 509 Ca 0.09 -1.39 -0.24 0.00 -1.93 0.00 0.00 57.85 54.38 1sgx n ARG 509 Cb 0.60 -1.41 -0.11 0.00 -1.16 0.00 0.00 32.46 30.38 1sgx n ARG 509 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1sgx s ASP 510 N -1.49 3.07 0.23 0.55 -0.00 -1.26 -4.81 116.67 112.96 1sgx s ASP 510 Ca 0.33 -0.89 -0.30 0.00 -0.00 0.00 0.00 52.55 51.69 1sgx s ASP 510 Cb 0.18 -0.21 -0.09 0.00 -0.00 0.00 0.00 42.92 42.80 1sgx s ASP 510 CO 0.27 0.03 1.33 -0.89 -0.00 0.00 0.00 175.17 175.91 1sgx s THR 511 N -1.99 3.02 -0.02 -1.27 2.01 -1.26 -4.12 115.64 112.02 1sgx s THR 511 Ca 0.20 0.87 0.06 0.00 0.31 0.00 0.00 61.69 63.12 1sgx s THR 511 Cb -0.06 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1sgx s THR 511 CO 0.09 0.15 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.44 1sgx s LYS 512 N -0.47 1.50 -0.25 4.92 -0.14 0.50 -4.98 119.74 120.83 1sgx s LYS 512 Ca 0.56 -0.65 -0.10 0.00 -1.36 0.00 0.00 55.97 54.42 1sgx s LYS 512 Cb -0.38 -1.44 -0.05 0.00 -1.68 0.00 0.00 37.83 34.28 1sgx s LYS 512 CO 0.42 0.38 0.16 0.99 -0.76 0.00 0.00 175.35 176.53 1sgx s THR 513 N -0.39 5.23 -0.14 2.17 2.01 -1.26 0.24 115.64 123.50 1sgx s THR 513 Ca 0.06 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.20 1sgx s THR 513 Cb -0.07 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 1sgx s THR 513 CO -0.00 0.32 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.42 1sgx s VAL 514 N 1.30 2.92 -0.24 3.82 1.01 0.09 -4.32 120.40 124.98 1sgx s VAL 514 Ca 0.07 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 1sgx s VAL 514 Cb -0.14 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1sgx s VAL 514 CO 0.06 0.52 0.26 -0.89 0.00 0.00 0.00 175.10 175.05 1sgx s THR 515 N 0.57 5.29 -0.12 3.92 2.01 -0.42 -1.44 115.64 125.44 1sgx s THR 515 Ca -0.08 0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.32 1sgx s THR 515 Cb -0.16 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1sgx s THR 515 CO 0.03 0.29 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.36 1sgx s VAL 516 N 1.33 1.88 -0.11 3.82 1.01 0.15 -1.37 120.40 127.10 1sgx s VAL 516 Ca 0.12 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1sgx s VAL 516 Cb -0.14 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 1sgx s VAL 516 CO 0.07 0.52 -0.20 0.20 0.00 0.00 0.00 175.10 175.68 1sgx s ASN 517 N 0.79 3.42 0.14 3.32 0.01 -0.74 -0.21 114.94 121.67 1sgx s ASN 517 Ca -0.09 -0.48 0.06 0.00 -0.71 0.00 0.00 52.86 51.64 1sgx s ASN 517 Cb -0.16 -1.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.98 1sgx s ASN 517 CO -0.00 0.16 -0.14 -0.04 -1.51 0.00 0.00 177.10 175.57 1sgx s MET 518 N 0.38 1.10 0.11 -0.60 -1.94 0.78 -0.99 119.30 118.14 1sgx s MET 518 Ca -0.15 -1.35 -0.14 0.00 -1.71 0.00 0.00 55.69 52.34 1sgx s MET 518 Cb -0.17 -0.93 0.02 0.00 2.01 0.00 0.00 34.83 35.77 1sgx s MET 518 CO 0.07 0.17 0.34 0.95 -0.01 0.00 0.00 175.02 176.54 1sgx s THR 519 N -2.47 0.09 -0.05 2.05 -4.23 -0.86 -1.66 115.64 108.51 1sgx s THR 519 Ca 0.13 -0.73 -0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1sgx s THR 519 Cb -0.03 -1.19 0.03 0.00 1.34 0.00 0.00 72.50 72.65 1sgx s THR 519 CO 0.03 -0.40 0.01 0.00 -0.54 0.00 0.00 174.62 173.73 1sgx s ALA 520 N -3.70 0.47 -0.05 3.99 0.00 0.37 -1.77 121.76 121.07 1sgx s ALA 520 Ca 0.03 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.08 1sgx s ALA 520 Cb 0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1sgx s ALA 520 CO -0.11 -0.33 -0.20 -1.58 0.00 0.00 0.00 175.76 173.54 1sgx s TRP 521 N 1.70 1.94 0.41 0.00 0.52 -0.40 -0.39 118.94 122.71 1sgx s TRP 521 Ca -0.00 -0.56 -0.23 0.00 0.02 0.00 0.00 56.10 55.34 1sgx s TRP 521 Cb -0.13 -1.29 -0.10 0.00 -1.15 0.00 0.00 33.47 30.80 1sgx s TRP 521 CO -0.03 -0.18 0.99 0.95 0.02 0.00 0.00 176.95 178.70 1sgx s THR 522 N -0.05 4.09 0.22 2.01 -4.23 0.04 0.83 115.64 118.56 1sgx s THR 522 Ca -0.03 1.46 -0.05 0.00 -1.18 0.00 0.00 61.69 61.89 1sgx s THR 522 Cb -0.12 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 1sgx s THR 522 CO 0.03 -0.13 0.26 0.27 -0.54 0.00 0.00 174.62 174.50 1sgx s ILE 523 N -1.90 0.00 0.17 2.99 -4.36 -1.03 -1.26 121.20 115.81 1sgx s ILE 523 Ca 0.59 -1.79 -0.04 0.00 -0.26 0.00 0.00 60.65 59.15 1sgx s ILE 523 Cb -0.15 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.10 1sgx s ILE 523 CO 0.20 0.00 0.41 -0.63 0.24 0.00 0.00 174.94 175.15 1sgx s ILE 524 N -4.09 5.14 0.59 8.37 -1.09 -0.22 -4.29 121.20 125.62 1sgx s ILE 524 Ca 0.33 0.00 0.29 0.00 -2.23 0.00 0.00 60.65 59.04 1sgx s ILE 524 Cb 0.04 -3.65 0.38 0.00 -1.58 0.00 0.00 42.46 37.65 1sgx s ILE 524 CO 0.11 -0.04 1.92 0.10 -1.23 0.00 0.00 174.94 175.81 1sgx h TYR 525 N 2.57 0.00 -0.00 3.97 -0.00 -1.93 0.19 116.97 121.77 1sgx h TYR 525 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 1sgx h TYR 525 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 1sgx h TYR 525 CO 0.60 0.00 -0.03 0.27 -0.00 0.00 0.00 178.16 179.00 1sgx n ASN 526 N -3.71 0.10 0.00 0.10 2.04 -1.26 -0.64 115.26 111.89 1sgx n ASN 526 Ca 0.07 -0.20 0.00 0.00 -0.44 0.00 0.00 54.58 54.01 1sgx n ASN 526 Cb 0.63 -0.24 0.00 0.00 -2.53 0.00 0.00 39.78 37.63 1sgx n ASN 526 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1sgx n GLY 527 N 1.30 0.70 3.68 4.83 0.00 0.67 -4.07 105.19 112.30 1sgx n GLY 527 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 1sgx n GLY 527 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sgx n THR 528 N -1.08 0.31 -2.67 2.61 -1.04 -1.23 -3.97 114.28 107.20 1sgx n THR 528 Ca 0.00 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 1sgx n THR 528 Cb 0.00 -1.87 -0.03 0.00 -1.82 0.00 0.00 70.33 66.61 1sgx n THR 528 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sgx s LEU 529 N 2.51 4.38 -0.07 -4.42 1.43 -1.26 -1.05 118.68 120.21 1sgx s LEU 529 Ca 0.84 1.73 -0.07 0.00 -1.03 0.00 0.00 54.13 55.60 1sgx s LEU 529 Cb -0.60 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.02 1sgx s LEU 529 CO 0.41 -0.27 -0.13 0.52 0.23 0.00 0.00 176.35 177.11 1sgx n VAL 530 N 3.78 0.59 -3.57 -1.59 0.31 -0.39 -4.94 118.33 112.51 1sgx n VAL 530 Ca 0.06 0.35 -0.17 0.00 -0.01 0.00 0.00 64.34 64.57 1sgx n VAL 530 Cb 0.50 -1.81 -0.07 0.00 -0.91 0.00 0.00 33.84 31.55 1sgx n VAL 530 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1sgx s HIS 531 N -1.74 -0.58 0.03 3.52 2.46 -1.19 -4.97 115.29 112.82 1sgx s HIS 531 Ca -0.11 1.02 -0.30 0.00 0.47 0.00 0.00 55.06 56.14 1sgx s HIS 531 Cb 0.02 0.34 -0.04 0.00 -0.13 0.00 0.00 32.58 32.76 1sgx s HIS 531 CO 0.16 -0.55 1.10 -2.00 -2.47 0.00 0.00 174.74 170.98 1sgx s GLU 532 N -1.10 4.48 -0.00 2.88 2.12 -1.26 -0.78 118.70 125.04 1sgx s GLU 532 Ca -0.11 1.61 0.01 0.00 0.36 0.00 0.00 54.97 56.85 1sgx s GLU 532 Cb -0.01 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 1sgx s GLU 532 CO 0.08 -0.17 0.05 1.33 -0.54 0.00 0.00 175.26 176.01 1sgx n VAL 533 N 3.94 0.00 -3.53 3.70 0.24 0.47 -4.94 118.33 118.22 1sgx n VAL 533 Ca 0.08 -0.44 -0.16 0.00 -2.04 0.00 0.00 64.34 61.78 1sgx n VAL 533 Cb 0.48 0.96 -0.05 0.00 -1.47 0.00 0.00 33.84 33.76 1sgx n VAL 533 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1sgx s TRP 534 N -1.18 -0.58 0.00 6.34 -0.00 -1.13 -4.69 118.94 117.70 1sgx s TRP 534 Ca 0.00 0.94 -0.29 0.00 -0.00 0.00 0.00 56.10 56.76 1sgx s TRP 534 Cb 0.01 0.43 0.08 0.00 -0.00 0.00 0.00 33.47 33.99 1sgx s TRP 534 CO 0.05 -0.56 0.69 -1.59 -0.00 0.00 0.00 176.95 175.54 1sgx s LYS 535 N -1.37 1.07 0.13 5.86 -2.85 -1.26 -0.48 119.74 120.83 1sgx s LYS 535 Ca -0.08 0.02 -0.26 0.00 -1.00 0.00 0.00 55.97 54.66 1sgx s LYS 535 Cb -0.00 0.50 0.08 0.00 -2.06 0.00 0.00 37.83 36.35 1sgx s LYS 535 CO 0.06 -0.38 1.04 0.34 0.10 0.00 0.00 175.35 176.51 1sgx s ASP 536 N -1.67 -0.12 0.02 0.03 2.15 -0.67 -4.97 116.67 111.45 1sgx s ASP 536 Ca -0.06 -0.40 -0.17 0.00 0.43 0.00 0.00 52.55 52.35 1sgx s ASP 536 Cb -0.00 0.43 0.03 0.00 -0.30 0.00 0.00 42.92 43.07 1sgx s ASP 536 CO 0.02 -0.80 0.38 -0.94 -0.17 0.00 0.00 175.17 173.66 1sgx s SER 537 N -3.03 -0.25 -0.07 -0.34 1.04 -1.26 -0.16 113.70 109.64 1sgx s SER 537 Ca 0.14 0.02 -0.24 0.00 0.48 0.00 0.00 55.95 56.35 1sgx s SER 537 Cb -0.00 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.56 1sgx s SER 537 CO 0.02 -0.60 0.54 0.00 0.98 0.00 0.00 173.24 174.18 1sgx s ALA 538 N -2.14 -1.38 -0.04 5.32 0.00 0.70 -5.00 121.76 119.22 1sgx s ALA 538 Ca -0.08 1.04 0.07 0.00 0.00 0.00 0.00 51.96 52.99 1sgx s ALA 538 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1sgx s ALA 538 CO -0.00 -0.32 -0.23 0.99 0.00 0.00 0.00 175.76 176.20 1sgx s THR 539 N -0.97 2.25 0.15 0.00 2.01 -1.26 0.31 115.64 118.13 1sgx s THR 539 Ca -0.10 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 60.87 1sgx s THR 539 Cb -0.02 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1sgx s THR 539 CO 0.06 0.58 0.08 -0.04 -0.69 0.00 0.00 174.62 174.61 1sgx s MET 540 N -0.50 0.99 -0.17 4.92 -1.94 -0.52 -4.99 119.30 117.09 1sgx s MET 540 Ca 0.06 -1.48 0.00 0.00 -1.71 0.00 0.00 55.69 52.56 1sgx s MET 540 Cb -0.11 0.25 0.04 0.00 2.01 0.00 0.00 34.83 37.02 1sgx s MET 540 CO 0.01 -0.29 -0.08 0.45 -0.01 0.00 0.00 175.02 175.09 1sgx s SER 541 N -3.07 2.91 -0.15 3.03 0.15 -1.26 -0.73 113.70 114.57 1sgx s SER 541 Ca 0.27 -0.67 -0.00 0.00 0.70 0.00 0.00 55.95 56.25 1sgx s SER 541 Cb 0.07 -1.04 -0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1sgx s SER 541 CO 0.04 -0.15 -0.14 -0.76 1.20 0.00 0.00 173.24 173.43 1sgx s LEU 542 N 1.55 2.53 0.68 3.45 1.43 0.14 -4.97 118.68 123.49 1sgx s LEU 542 Ca 0.01 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 1sgx s LEU 542 Cb -0.15 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1sgx s LEU 542 CO -0.08 0.09 1.06 -1.81 0.23 0.00 0.00 176.35 175.83 1sgx s ASP 543 N 0.79 5.55 0.02 2.29 1.01 -1.26 -0.37 116.67 124.70 1sgx s ASP 543 Ca -0.05 1.08 -0.38 0.00 0.71 0.00 0.00 52.55 53.91 1sgx s ASP 543 Cb -0.15 -1.94 -0.18 0.00 1.01 0.00 0.00 42.92 41.66 1sgx s ASP 543 CO 0.00 -1.25 1.31 -2.65 0.21 0.00 0.00 175.17 172.80 1sgx n PRO 544 N -2.91 0.83 -0.57 8.23 -0.02 -1.26 -0.34 135.00 138.96 1sgx n PRO 544 Ca 0.06 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1sgx n PRO 544 Cb 0.57 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1sgx n PRO 544 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1sgx n GLU 545 N 2.50 0.00 -2.26 -0.52 4.07 0.32 -4.97 120.64 119.79 1sgx n GLU 545 Ca 0.20 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.92 1sgx n GLU 545 Cb 0.15 -3.48 -0.02 0.00 -0.06 0.00 0.00 31.44 28.04 1sgx n GLU 545 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1sgx s GLU 546 N -0.45 3.96 0.11 5.31 2.12 0.53 -4.70 118.70 125.59 1sgx s GLU 546 Ca 0.00 1.86 0.08 0.00 0.36 0.00 0.00 54.97 57.26 1sgx s GLU 546 Cb 0.00 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 1sgx s GLU 546 CO 0.00 -0.40 -0.14 -1.21 -0.54 0.00 0.00 175.26 172.97 1sgx s GLU 547 N -2.40 1.97 0.01 4.30 2.02 -1.26 -1.74 118.70 121.59 1sgx s GLU 547 Ca 0.59 -1.10 -0.17 0.00 0.02 0.00 0.00 54.97 54.31 1sgx s GLU 547 Cb -0.31 -2.22 0.03 0.00 0.10 0.00 0.00 34.13 31.74 1sgx s GLU 547 CO 0.39 0.49 0.38 0.00 0.02 0.00 0.00 175.26 176.54 1sgx s ALA 548 N -1.19 -0.94 -0.03 5.21 0.00 -0.63 -5.00 121.76 119.18 1sgx s ALA 548 Ca 0.20 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1sgx s ALA 548 Cb -0.11 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1sgx s ALA 548 CO 0.12 -0.35 -0.04 -1.83 0.00 0.00 0.00 175.76 173.66 1sgx s GLU 549 N -1.83 0.64 -0.37 0.00 -1.05 -1.26 -0.35 118.70 114.47 1sgx s GLU 549 Ca -0.10 -0.08 -0.07 0.00 -0.15 0.00 0.00 54.97 54.57 1sgx s GLU 549 Cb -0.03 -0.68 0.06 0.00 -0.44 0.00 0.00 34.13 33.04 1sgx s GLU 549 CO 0.02 -0.06 0.17 -1.58 0.95 0.00 0.00 175.26 174.76 1sgx s HIS 550 N 0.74 3.30 0.34 4.83 2.46 -0.20 -4.91 115.29 121.86 1sgx s HIS 550 Ca -0.09 -1.49 -0.29 0.00 0.47 0.00 0.00 55.06 53.66 1sgx s HIS 550 Cb -0.12 -2.58 -0.11 0.00 -0.13 0.00 0.00 32.58 29.64 1sgx s HIS 550 CO -0.00 -0.78 1.41 -2.14 -2.47 0.00 0.00 174.74 170.76 1sgx s PRO 551 N 1.40 4.23 -0.19 2.88 0.02 -1.26 -1.66 135.00 140.42 1sgx s PRO 551 Ca 0.01 2.40 0.01 0.00 0.02 0.00 0.00 61.00 63.44 1sgx s PRO 551 Cb -0.21 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.32 1sgx s PRO 551 CO 0.02 -0.38 -0.15 0.42 -0.33 0.00 0.00 177.00 176.58 1sgx s ILE 552 N -0.95 1.90 -0.10 2.83 1.01 0.09 -4.94 121.20 121.04 1sgx s ILE 552 Ca 0.52 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1sgx s ILE 552 Cb -0.43 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1sgx s ILE 552 CO 0.56 0.34 -0.17 -0.75 0.00 0.00 0.00 174.94 174.92 1sgx s LYS 553 N 1.32 2.40 -0.13 2.79 2.20 -1.26 -0.34 119.74 126.73 1sgx s LYS 553 Ca 0.01 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 1sgx s LYS 553 Cb -0.15 -1.95 0.02 0.00 -1.51 0.00 0.00 37.83 34.24 1sgx s LYS 553 CO -0.10 0.02 -0.12 0.42 -0.36 0.00 0.00 175.35 175.21 1sgx s ILE 554 N 0.75 1.35 0.61 5.43 1.01 -0.08 -4.98 121.20 125.30 1sgx s ILE 554 Ca -0.11 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 1sgx s ILE 554 Cb -0.16 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1sgx s ILE 554 CO 0.02 0.42 1.03 -0.94 0.00 0.00 0.00 174.94 175.47 1sgx s SER 555 N 1.44 6.09 0.24 3.58 1.04 -1.26 0.08 113.70 124.91 1sgx s SER 555 Ca 0.02 1.52 -0.05 0.00 0.48 0.00 0.00 55.95 57.92 1sgx s SER 555 Cb -0.13 -2.49 0.38 0.00 0.10 0.00 0.00 66.02 63.88 1sgx s SER 555 CO -0.08 -0.96 1.80 0.22 0.98 0.00 0.00 173.24 175.21 1sgx h TYR 556 N -0.10 0.79 -0.91 5.02 3.20 -1.87 -0.40 116.97 122.70 1sgx h TYR 556 Ca -0.45 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.54 1sgx h TYR 556 Cb 1.20 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.16 1sgx h TYR 556 CO 0.64 0.31 0.55 0.00 -1.64 0.00 0.00 178.16 178.03 1sgx h ALA 557 N 1.44 1.30 -0.08 1.82 0.00 -1.95 0.25 119.26 122.04 1sgx h ALA 557 Ca 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1sgx h ALA 557 Cb 0.36 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1sgx h ALA 557 CO -0.25 0.22 -0.04 1.96 0.00 0.00 0.00 179.25 181.14 1sgx h GLN 558 N 0.94 0.18 0.01 0.00 4.20 -1.44 -3.37 115.11 115.63 1sgx h GLN 558 Ca 0.42 -0.08 -0.29 0.00 0.06 0.00 0.00 58.65 58.77 1sgx h GLN 558 Cb 0.32 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1sgx h GLN 558 CO -0.22 0.55 -1.64 0.10 -0.67 0.00 0.00 178.83 176.94 1sgx h TYR 559 N -0.20 0.03 -0.98 2.96 -0.00 -1.22 -3.39 116.97 114.16 1sgx h TYR 559 Ca 0.02 -0.02 0.19 0.00 0.00 0.00 0.00 58.73 58.92 1sgx h TYR 559 Cb 0.50 -0.00 -0.09 0.00 0.00 0.00 0.00 36.73 37.13 1sgx h TYR 559 CO 0.07 1.04 0.61 1.05 -0.00 0.00 0.00 178.16 180.93 1sgx h GLU 560 N 0.00 0.64 0.00 0.10 -0.00 -0.67 -0.76 114.58 113.89 1sgx h GLU 560 Ca -0.26 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.36 59.03 1sgx h GLU 560 Cb 1.99 -0.14 -0.00 0.00 -0.00 0.00 0.00 28.75 30.59 1sgx h GLU 560 CO 0.09 0.42 -0.16 -0.09 -0.00 0.00 0.00 179.01 179.27 1sgx h ARG 561 N 0.66 0.00 0.00 1.06 2.43 -1.76 -3.18 114.38 113.58 1sgx h ARG 561 Ca 0.55 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1sgx h ARG 561 Cb 0.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1sgx h ARG 561 CO -0.31 0.16 0.00 0.66 -1.51 0.00 0.00 179.97 178.97 1sgx n TYR 562 N -3.95 0.00 -2.59 2.20 4.02 -0.65 -5.01 117.16 111.18 1sgx n TYR 562 Ca -0.02 -0.32 -0.42 0.00 -0.01 0.00 0.00 57.90 57.13 1sgx n TYR 562 Cb 0.25 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.51 1sgx n TYR 562 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1sgx s LEU 563 N -0.64 4.35 0.00 7.72 2.96 -0.38 -4.73 118.68 127.96 1sgx s LEU 563 Ca 0.00 1.79 0.07 0.00 -0.22 0.00 0.00 54.13 55.76 1sgx s LEU 563 Cb 0.00 -3.57 0.11 0.00 0.50 0.00 0.00 46.19 43.23 1sgx s LEU 563 CO 0.00 -0.38 0.83 0.29 -1.32 0.00 0.00 176.35 175.77 1sgx n LYS 564 N 4.12 0.43 0.33 1.98 4.76 -1.26 -4.94 118.16 123.57 1sgx n LYS 564 Ca 0.08 -2.94 0.20 0.00 -2.87 0.00 0.00 58.31 52.78 1sgx n LYS 564 Cb 0.49 -0.34 1.09 0.00 -1.84 0.00 0.00 35.03 34.42 1sgx n LYS 564 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1sgx h SER 565 N -0.08 0.00 0.12 4.39 4.64 -1.89 0.34 113.55 121.07 1sgx h SER 565 Ca -0.28 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 1sgx h SER 565 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1sgx h SER 565 CO 0.37 0.00 -0.20 0.44 -0.87 0.00 0.00 176.83 176.57 1sgx h ASP 566 N 0.00 0.14 -2.60 4.97 3.32 -1.93 -3.46 116.42 116.86 1sgx h ASP 566 Ca 0.00 -0.03 -0.35 0.00 0.02 0.00 0.00 57.03 56.67 1sgx h ASP 566 Cb 0.19 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1sgx h ASP 566 CO 0.00 0.35 -0.45 0.59 -1.72 0.00 0.00 179.24 178.01 1sgx n ASN 567 N -4.24 -5.11 -4.84 6.45 3.02 0.11 -4.82 115.26 105.82 1sgx n ASN 567 Ca -0.01 -0.04 -0.31 0.00 -0.03 0.00 0.00 54.58 54.19 1sgx n ASN 567 Cb 0.30 -4.18 -0.05 0.00 -0.61 0.00 0.00 39.78 35.24 1sgx n ASN 567 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1sgx s MET 568 N -4.92 3.15 -0.07 3.52 -1.94 -1.26 -1.47 119.30 116.30 1sgx s MET 568 Ca 0.02 -0.56 -0.03 0.00 -1.71 0.00 0.00 55.69 53.41 1sgx s MET 568 Cb -0.01 -2.88 0.04 0.00 2.01 0.00 0.00 34.83 33.99 1sgx s MET 568 CO 0.03 0.59 0.17 0.42 -0.01 0.00 0.00 175.02 176.22 1sgx s ILE 569 N -1.43 -0.05 -0.31 2.53 1.01 -0.81 -2.48 121.20 119.65 1sgx s ILE 569 Ca 0.32 0.18 -0.12 0.00 0.00 0.00 0.00 60.65 61.02 1sgx s ILE 569 Cb -0.13 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 1sgx s ILE 569 CO 0.24 0.07 0.23 -0.60 0.00 0.00 0.00 174.94 174.89 1sgx s ARG 570 N 1.23 3.74 -0.18 2.79 3.52 0.24 -1.02 118.95 129.27 1sgx s ARG 570 Ca -0.09 -0.44 -0.07 0.00 -0.13 0.00 0.00 55.73 55.00 1sgx s ARG 570 Cb -0.11 -3.73 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 1sgx s ARG 570 CO -0.07 -0.32 0.07 0.42 -0.81 0.00 0.00 175.30 174.59 1sgx s ILE 571 N 1.78 4.86 0.02 4.11 -1.09 0.21 -1.27 121.20 129.82 1sgx s ILE 571 Ca 0.07 -0.01 0.02 0.00 -2.23 0.00 0.00 60.65 58.51 1sgx s ILE 571 Cb -0.17 -3.18 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 1sgx s ILE 571 CO 0.11 0.47 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.32 1sgx s THR 572 N 0.25 0.57 -0.13 2.92 2.01 -0.73 -1.55 115.64 118.97 1sgx s THR 572 Ca 0.04 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 1sgx s THR 572 Cb -0.12 -0.56 0.05 0.00 0.01 0.00 0.00 72.50 71.88 1sgx s THR 572 CO 0.00 -0.12 0.07 0.00 -0.69 0.00 0.00 174.62 173.88 1sgx s ALA 573 N -0.79 0.44 -0.38 7.40 0.00 0.15 -2.04 121.76 126.55 1sgx s ALA 573 Ca -0.03 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 1sgx s ALA 573 Cb -0.06 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.14 1sgx s ALA 573 CO 0.00 -0.95 0.26 0.08 0.00 0.00 0.00 175.76 175.16 1sgx s VAL 574 N 2.11 5.16 -0.02 0.00 1.01 -0.16 -0.80 120.40 127.70 1sgx s VAL 574 Ca 0.03 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1sgx s VAL 574 Cb -0.15 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1sgx s VAL 574 CO -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 175.10 174.81 1sgx s LYS 576 N -1.28 0.37 0.02 0.00 2.20 -0.47 0.69 119.74 121.27 1sgx s LYS 576 Ca 0.16 0.31 0.05 0.00 -0.36 0.00 0.00 55.97 56.14 1sgx s LYS 576 Cb -0.11 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1sgx s LYS 576 CO 0.06 -0.06 -0.14 0.08 -0.36 0.00 0.00 175.35 174.94 1sgx s VAL 577 N -0.05 3.12 0.36 4.02 1.01 -1.26 -1.30 120.40 126.31 1sgx s VAL 577 Ca -0.02 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 1sgx s VAL 577 Cb -0.03 -2.33 -0.11 0.00 0.00 0.00 0.00 36.38 33.91 1sgx s VAL 577 CO 0.01 0.37 1.44 -2.65 0.00 0.00 0.00 175.10 174.28 1sgx n PRO 578 N 1.60 2.53 -1.07 2.72 -0.02 -1.26 -2.10 135.00 137.39 1sgx n PRO 578 Ca -0.16 0.89 -0.03 0.00 -2.02 0.00 0.00 63.50 62.18 1sgx n PRO 578 Cb 0.52 -2.58 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 1sgx n PRO 578 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sgx n ASP 579 N 0.68 -3.96 -4.00 2.55 10.43 -1.26 -5.00 116.55 115.98 1sgx n ASP 579 Ca 0.03 0.06 -0.10 0.00 2.57 0.00 0.00 54.79 57.35 1sgx n ASP 579 Cb 0.38 -1.69 -0.11 0.00 1.84 0.00 0.00 41.12 41.54 1sgx n ASP 579 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1sgx s GLU 580 N -1.37 0.37 0.69 -1.24 2.02 -0.89 -5.15 118.70 113.13 1sgx s GLU 580 Ca 0.00 -0.66 -0.14 0.00 0.02 0.00 0.00 54.97 54.19 1sgx s GLU 580 Cb 0.00 0.03 0.02 0.00 0.10 0.00 0.00 34.13 34.28 1sgx s GLU 580 CO 0.00 -0.03 1.12 -1.12 0.02 0.00 0.00 175.26 175.25 1sgx s SER 581 N -1.54 4.82 0.84 -0.19 0.01 -1.26 -4.39 113.70 111.99 1sgx s SER 581 Ca -0.14 2.03 -0.12 0.00 1.31 0.00 0.00 55.95 59.03 1sgx s SER 581 Cb -0.09 -2.55 0.11 0.00 0.21 0.00 0.00 66.02 63.69 1sgx s SER 581 CO -0.01 -1.83 1.17 -1.61 0.41 0.00 0.00 173.24 171.37 1sgx s GLU 582 N -4.22 1.45 -0.21 12.44 8.01 -1.26 -4.66 118.70 130.26 1sgx s GLU 582 Ca 0.67 1.62 0.02 0.00 0.01 0.00 0.00 54.97 57.28 1sgx s GLU 582 Cb -0.21 -1.77 0.04 0.00 -4.31 0.00 0.00 34.13 27.88 1sgx s GLU 582 CO 0.45 -2.32 -0.15 0.08 0.01 0.00 0.00 175.26 173.32 1sgx s VAL 583 N -2.42 2.01 -0.19 2.63 1.01 0.22 -4.96 120.40 118.69 1sgx s VAL 583 Ca 0.69 -1.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1sgx s VAL 583 Cb -0.25 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1sgx s VAL 583 CO 0.54 0.30 0.37 -0.69 0.00 0.00 0.00 175.10 175.61 1sgx s VAL 584 N 1.26 5.23 -0.20 2.92 1.01 -1.26 -0.99 120.40 128.36 1sgx s VAL 584 Ca -0.00 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 1sgx s VAL 584 Cb -0.16 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1sgx s VAL 584 CO -0.10 0.29 -0.13 -0.69 0.00 0.00 0.00 175.10 174.47 1sgx s VAL 585 N 1.10 2.61 0.10 2.92 1.01 0.02 -4.99 120.40 123.16 1sgx s VAL 585 Ca 0.18 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1sgx s VAL 585 Cb -0.14 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1sgx s VAL 585 CO 0.07 0.49 -0.17 -1.83 0.00 0.00 0.00 175.10 173.66 1sgx s GLU 586 N 1.37 0.99 -0.29 2.72 -1.05 -1.26 -0.68 118.70 120.50 1sgx s GLU 586 Ca 0.05 -1.11 -0.15 0.00 -0.15 0.00 0.00 54.97 53.61 1sgx s GLU 586 Cb -0.14 -1.08 0.14 0.00 -0.44 0.00 0.00 34.13 32.62 1sgx s GLU 586 CO -0.09 0.24 0.91 0.50 0.95 0.00 0.00 175.26 177.77 1sgx s ARG 587 N -2.03 0.42 -0.19 -4.83 3.52 -0.60 -4.82 118.95 110.42 1sgx s ARG 587 Ca 0.04 0.82 -0.11 0.00 -0.13 0.00 0.00 55.73 56.35 1sgx s ARG 587 Cb -0.09 0.23 -0.05 0.00 -1.56 0.00 0.00 34.95 33.48 1sgx s ARG 587 CO 0.03 -0.10 0.16 -0.51 -0.81 0.00 0.00 175.30 174.07 1sgx s ASP 588 N 1.75 6.26 0.19 -2.12 1.01 -1.26 -0.62 116.67 121.88 1sgx s ASP 588 Ca -0.08 0.29 0.09 0.00 0.71 0.00 0.00 52.55 53.57 1sgx s ASP 588 Cb -0.05 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 1sgx s ASP 588 CO -0.17 0.17 -0.12 0.27 0.21 0.00 0.00 175.17 175.54 1sgx s ILE 589 N 0.33 3.03 -0.09 0.77 -4.36 -0.19 -4.93 121.20 115.76 1sgx s ILE 589 Ca 0.10 -1.75 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 1sgx s ILE 589 Cb -0.11 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.11 1sgx s ILE 589 CO -0.01 -0.13 -0.16 -0.51 0.24 0.00 0.00 174.94 174.38 1sgx s ILE 590 N -1.74 1.45 -0.10 8.37 2.07 -1.26 -1.93 121.20 128.06 1sgx s ILE 590 Ca 0.24 -0.65 -0.15 0.00 -1.41 0.00 0.00 60.65 58.69 1sgx s ILE 590 Cb -0.08 -1.31 -0.05 0.00 0.13 0.00 0.00 42.46 41.15 1sgx s ILE 590 CO 0.14 0.43 0.37 -0.76 -1.91 0.00 0.00 174.94 173.21 1sgx s LEU 591 N 0.72 4.32 0.41 8.50 1.02 -0.54 -4.84 118.68 128.27 1sgx s LEU 591 Ca -0.13 0.72 -0.24 0.00 0.02 0.00 0.00 54.13 54.50 1sgx s LEU 591 Cb -0.16 -2.52 -0.08 0.00 0.02 0.00 0.00 46.19 43.45 1sgx s LEU 591 CO 0.03 0.14 1.12 -1.81 0.02 0.00 0.00 176.35 175.86 1sgx s ASP 592 N 0.03 6.56 0.67 2.29 1.01 0.20 -4.61 116.67 122.81 1sgx s ASP 592 Ca 0.21 2.22 -0.11 0.00 0.71 0.00 0.00 52.55 55.59 1sgx s ASP 592 Cb -0.15 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.17 1sgx s ASP 592 CO 0.08 -0.64 1.06 0.20 0.21 0.00 0.00 175.17 176.08 1sgx s ASN 593 N -1.33 5.73 0.73 0.27 0.01 -1.26 -1.16 114.94 117.94 1sgx s ASN 593 Ca 0.58 1.38 -0.14 0.00 -0.71 0.00 0.00 52.86 53.98 1sgx s ASN 593 Cb -0.27 -2.31 0.04 0.00 0.41 0.00 0.00 41.25 39.11 1sgx s ASN 593 CO 0.34 -1.19 1.14 -2.84 -1.51 0.00 0.00 177.10 173.04 1sgx s PRO 594 N -5.19 2.33 0.29 -0.60 0.02 -1.26 -4.88 135.00 125.71 1sgx s PRO 594 Ca 0.57 1.47 -0.29 0.00 0.02 0.00 0.00 61.00 62.76 1sgx s PRO 594 Cb -0.12 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 1sgx s PRO 594 CO 0.54 -1.63 1.18 0.99 -0.33 0.00 0.00 177.00 177.75 1sgx s THR 595 N -2.38 3.22 -0.14 0.99 2.01 -1.26 -4.92 115.64 113.17 1sgx s THR 595 Ca 0.68 1.22 0.03 0.00 0.31 0.00 0.00 61.69 63.92 1sgx s THR 595 Cb -0.22 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1sgx s THR 595 CO 0.47 0.29 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.24 1sgx s LEU 596 N -1.48 2.13 0.00 4.42 2.96 -1.26 -4.42 118.68 121.03 1sgx s LEU 596 Ca 0.47 -0.59 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 1sgx s LEU 596 Cb -0.35 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 1sgx s LEU 596 CO 0.45 0.09 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.43 1sgx s THR 597 N 0.75 2.01 -0.03 3.68 2.01 -0.56 -4.66 115.64 118.84 1sgx s THR 597 Ca -0.09 -1.17 0.06 0.00 0.31 0.00 0.00 61.69 60.80 1sgx s THR 597 Cb -0.16 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 1sgx s THR 597 CO -0.00 0.49 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.47 1sgx s LEU 598 N -0.80 2.46 -0.06 4.42 1.43 -1.26 -0.81 118.68 124.06 1sgx s LEU 598 Ca 0.10 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1sgx s LEU 598 Cb -0.10 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.69 1sgx s LEU 598 CO -0.00 0.33 0.14 -1.61 0.23 0.00 0.00 176.35 175.44 1sgx s GLU 599 N -0.74 0.11 -0.04 1.70 2.02 0.70 -4.98 118.70 117.48 1sgx s GLU 599 Ca 0.11 0.31 -0.17 0.00 0.02 0.00 0.00 54.97 55.24 1sgx s GLU 599 Cb -0.10 -0.11 -0.05 0.00 0.10 0.00 0.00 34.13 33.97 1sgx s GLU 599 CO 0.00 -0.12 0.46 0.08 0.02 0.00 0.00 175.26 175.70 1sgx s VAL 600 N 0.85 5.05 -0.82 2.63 1.01 -1.26 0.07 120.40 127.92 1sgx s VAL 600 Ca -0.06 0.95 0.16 0.00 0.00 0.00 0.00 61.98 63.03 1sgx s VAL 600 Cb -0.08 -3.79 0.60 0.00 0.00 0.00 0.00 36.38 33.11 1sgx s VAL 600 CO -0.04 0.47 1.51 0.18 0.00 0.00 0.00 175.10 177.22 1sgx n LEU 601 N 2.59 4.24 -3.78 3.92 4.77 0.35 -4.97 117.00 124.13 1sgx n LEU 601 Ca -0.10 -2.52 -0.03 0.00 -0.03 0.00 0.00 56.01 53.33 1sgx n LEU 601 Cb 0.52 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1sgx n LEU 601 CO 0.40 0.76 0.74 0.54 -1.33 0.00 0.00 177.39 178.50 1sgx s ASN 602 N -1.17 -0.14 -0.12 -1.43 4.22 -1.26 -4.93 114.94 110.12 1sgx s ASN 602 Ca 0.44 -0.47 -0.30 0.00 -2.14 0.00 0.00 52.86 50.39 1sgx s ASN 602 Cb 0.29 0.50 -0.02 0.00 1.28 0.00 0.00 41.25 43.30 1sgx s ASN 602 CO 0.19 -0.93 1.27 -0.70 -2.04 0.00 0.00 177.10 174.88 1sgx s GLU 603 N -3.05 4.27 -0.12 3.55 2.12 -1.26 -4.89 118.70 119.32 1sgx s GLU 603 Ca 0.14 1.71 -0.29 0.00 0.36 0.00 0.00 54.97 56.88 1sgx s GLU 603 Cb -0.02 -3.70 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 1sgx s GLU 603 CO 0.03 -0.62 1.03 0.00 -0.54 0.00 0.00 175.26 175.16 1sgx s ALA 604 N 3.04 3.45 0.03 6.30 0.00 -1.26 -4.99 121.76 128.34 1sgx s ALA 604 Ca 0.56 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1sgx s ALA 604 Cb -0.24 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 1sgx s ALA 604 CO 0.18 -0.68 -0.10 1.03 0.00 0.00 0.00 175.76 176.19 1sgx s ARG 605 N 2.21 0.69 0.49 0.00 0.52 -1.26 -0.73 118.95 120.87 1sgx s ARG 605 Ca 0.48 -0.67 -0.23 0.00 -0.52 0.00 0.00 55.73 54.80 1sgx s ARG 605 Cb -0.18 -0.61 -0.07 0.00 0.52 0.00 0.00 34.95 34.60 1sgx s ARG 605 CO 0.17 0.14 1.28 1.33 0.02 0.00 0.00 175.30 178.24 1sgx n VAL 606 N 1.90 3.15 -1.19 3.52 0.24 0.40 -2.24 118.33 124.12 1sgx n VAL 606 Ca -0.19 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.34 61.54 1sgx n VAL 606 Cb 0.55 -1.57 -0.03 0.00 -1.47 0.00 0.00 33.84 31.32 1sgx n VAL 606 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1sgx n ARG 607 N -0.46 -1.82 -5.15 7.34 1.74 1.00 -4.95 116.66 114.36 1sgx n ARG 607 Ca 0.09 0.73 -0.29 0.00 -0.77 0.00 0.00 57.85 57.61 1sgx n ARG 607 Cb 0.42 -5.17 -0.16 0.00 -1.02 0.00 0.00 32.46 26.53 1sgx n ARG 607 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1sgx s LYS 608 N -2.56 2.05 0.22 5.56 -0.14 -0.95 -4.97 119.74 118.95 1sgx s LYS 608 Ca 0.00 -0.82 -0.32 0.00 -1.36 0.00 0.00 55.97 53.47 1sgx s LYS 608 Cb 0.00 -1.88 -0.13 0.00 -1.68 0.00 0.00 37.83 34.14 1sgx s LYS 608 CO 0.00 0.44 1.53 -2.30 -0.76 0.00 0.00 175.35 174.25 1sgx n PRO 609 N 2.70 2.26 -3.92 -1.68 -0.02 -1.26 -4.23 135.00 128.85 1sgx n PRO 609 Ca -0.16 0.81 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 1sgx n PRO 609 Cb 0.52 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 1sgx n PRO 609 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sgx s VAL 610 N 0.38 3.25 -0.16 -1.45 1.01 0.12 -4.90 120.40 118.65 1sgx s VAL 610 Ca 0.72 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 1sgx s VAL 610 Cb -0.62 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1sgx s VAL 610 CO 0.44 0.36 1.12 0.20 0.00 0.00 0.00 175.10 177.22 1sgx s ASN 611 N 1.44 7.08 0.28 3.32 -0.87 -1.26 -1.55 114.94 123.37 1sgx s ASN 611 Ca 0.04 1.58 0.12 0.00 -1.57 0.00 0.00 52.86 53.03 1sgx s ASN 611 Cb -0.15 -2.55 -0.05 0.00 -0.02 0.00 0.00 41.25 38.49 1sgx s ASN 611 CO -0.04 -0.64 -0.20 -0.69 -2.57 0.00 0.00 177.10 172.97 1sgx s VAL 612 N 2.87 2.50 -0.07 1.60 1.01 -0.03 -0.50 120.40 127.78 1sgx s VAL 612 Ca 0.50 -2.38 -0.03 0.00 0.00 0.00 0.00 61.98 60.06 1sgx s VAL 612 Cb -0.19 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 33.92 1sgx s VAL 612 CO 0.14 -0.39 0.15 -1.58 0.00 0.00 0.00 175.10 173.42 1sgx s GLN 613 N -3.48 0.11 -0.13 2.72 0.74 0.11 -2.18 119.66 117.53 1sgx s GLN 613 Ca 0.30 0.35 -0.04 0.00 0.05 0.00 0.00 55.36 56.02 1sgx s GLN 613 Cb -0.05 -0.14 -0.03 0.00 1.10 0.00 0.00 33.01 33.88 1sgx s GLN 613 CO 0.15 -0.14 0.00 1.41 -0.55 0.00 0.00 175.29 176.16 1sgx s MET 614 N 1.02 3.48 -0.04 1.67 -2.45 0.07 -0.21 119.30 122.84 1sgx s MET 614 Ca -0.08 -0.43 0.03 0.00 -1.25 0.00 0.00 55.69 53.95 1sgx s MET 614 Cb -0.10 -2.94 0.01 0.00 1.25 0.00 0.00 34.83 33.05 1sgx s MET 614 CO -0.05 0.43 -0.10 -0.51 1.05 0.00 0.00 175.02 175.83 1sgx s LEU 615 N -0.12 1.73 -0.11 4.11 1.43 0.01 -1.45 118.68 124.28 1sgx s LEU 615 Ca 0.04 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1sgx s LEU 615 Cb -0.13 -0.66 0.05 0.00 0.03 0.00 0.00 46.19 45.48 1sgx s LEU 615 CO 0.02 0.06 0.24 0.12 0.23 0.00 0.00 176.35 177.02 1sgx s PHE 616 N 0.33 -0.33 -0.17 0.29 5.36 -0.75 -1.50 117.98 121.21 1sgx s PHE 616 Ca -0.06 0.79 -0.04 0.00 -0.96 0.00 0.00 56.93 56.66 1sgx s PHE 616 Cb -0.11 0.02 -0.02 0.00 -0.34 0.00 0.00 43.02 42.57 1sgx s PHE 616 CO 0.01 -0.25 -0.04 -1.12 -1.46 0.00 0.00 175.22 172.37 1sgx s SER 617 N 1.44 4.68 -0.49 6.13 0.01 -1.26 0.77 113.70 124.98 1sgx s SER 617 Ca -0.08 -0.19 -0.27 0.00 1.31 0.00 0.00 55.95 56.72 1sgx s SER 617 Cb -0.11 -1.77 0.03 0.00 0.21 0.00 0.00 66.02 64.38 1sgx s SER 617 CO -0.08 0.12 1.03 0.21 0.41 0.00 0.00 173.24 174.93 1sgx s ASN 618 N 0.63 6.53 0.20 2.44 2.47 -0.10 -4.84 114.94 122.26 1sgx s ASN 618 Ca -0.02 0.21 0.24 0.00 0.42 0.00 0.00 52.86 53.71 1sgx s ASN 618 Cb -0.14 -2.50 0.91 0.00 -1.45 0.00 0.00 41.25 38.07 1sgx s ASN 618 CO 0.02 -1.18 1.73 -0.81 -3.72 0.00 0.00 177.10 173.14 1sgx n PRO 619 N 7.57 0.19 -1.66 0.43 -0.04 -1.26 -0.90 135.00 139.33 1sgx n PRO 619 Ca 0.08 0.30 -0.30 0.00 -0.04 0.00 0.00 63.50 63.54 1sgx n PRO 619 Cb 0.49 -1.79 0.07 0.00 -0.04 0.00 0.00 33.50 32.23 1sgx n PRO 619 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sgx s LEU 620 N -4.26 2.79 0.00 1.53 1.43 -1.26 -4.76 118.68 114.14 1sgx s LEU 620 Ca 0.08 1.31 0.28 0.00 -1.03 0.00 0.00 54.13 54.76 1sgx s LEU 620 Cb 0.11 -4.03 1.13 0.00 0.03 0.00 0.00 46.19 43.43 1sgx s LEU 620 CO 0.47 -1.67 1.81 0.47 0.23 0.00 0.00 176.35 177.65 1sgx n ASP 621 N -3.24 0.44 -4.55 2.29 8.00 -1.26 -3.16 116.55 115.08 1sgx n ASP 621 Ca 0.07 -0.42 -0.25 0.00 0.71 0.00 0.00 54.79 54.89 1sgx n ASP 621 Cb 0.56 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.48 1sgx n ASP 621 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1sgx s GLU 622 N -2.60 1.84 0.61 -1.24 -1.05 -1.26 -4.71 118.70 110.29 1sgx s GLU 622 Ca 0.25 -1.88 -0.13 0.00 -0.15 0.00 0.00 54.97 53.06 1sgx s GLU 622 Cb 0.20 -1.75 -0.04 0.00 -0.44 0.00 0.00 34.13 32.10 1sgx s GLU 622 CO 0.51 0.17 1.03 -2.14 0.95 0.00 0.00 175.26 175.78 1sgx s PRO 623 N -3.61 3.54 -0.10 -4.83 0.02 -1.26 -3.92 135.00 124.84 1sgx s PRO 623 Ca 0.32 0.87 0.00 0.00 0.02 0.00 0.00 61.00 62.21 1sgx s PRO 623 Cb 0.01 -2.07 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 1sgx s PRO 623 CO 0.17 -0.62 -0.09 0.14 -0.33 0.00 0.00 177.00 176.27 1sgx s VAL 624 N -2.98 3.45 0.47 3.83 -7.23 -0.52 -4.93 120.40 112.49 1sgx s VAL 624 Ca 0.57 -0.55 0.03 0.00 -1.81 0.00 0.00 61.98 60.22 1sgx s VAL 624 Cb -0.12 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1sgx s VAL 624 CO 0.48 0.56 0.01 -0.13 -0.31 0.00 0.00 175.10 175.71 1sgx s ARG 625 N -0.26 2.10 -1.49 4.82 0.52 -1.26 -2.17 118.95 121.20 1sgx s ARG 625 Ca 0.03 -2.30 -0.09 0.00 -0.52 0.00 0.00 55.73 52.85 1sgx s ARG 625 Cb -0.13 -1.50 0.07 0.00 0.52 0.00 0.00 34.95 33.91 1sgx s ARG 625 CO 0.03 -0.27 0.79 -0.25 0.02 0.00 0.00 175.30 175.61 1sgx n ASP 626 N -1.17 -2.95 -4.71 0.23 8.00 -1.26 -1.02 116.55 113.68 1sgx n ASP 626 Ca -0.14 -0.87 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 1sgx n ASP 626 Cb 0.67 -3.58 -0.03 0.00 -0.02 0.00 0.00 41.12 38.16 1sgx n ASP 626 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sgx s VAL 628 N 1.31 0.42 -0.17 0.00 1.01 0.28 -1.15 120.40 122.10 1sgx s VAL 628 Ca 0.57 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 1sgx s VAL 628 Cb -0.27 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1sgx s VAL 628 CO 0.27 0.17 -0.07 -0.22 0.00 0.00 0.00 175.10 175.25 1sgx s LEU 629 N 0.50 2.97 -0.17 3.92 0.20 0.01 -1.39 118.68 124.73 1sgx s LEU 629 Ca -0.06 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.49 1sgx s LEU 629 Cb -0.09 -1.71 0.00 0.00 -0.43 0.00 0.00 46.19 43.96 1sgx s LEU 629 CO -0.00 0.11 -0.16 -0.04 -0.29 0.00 0.00 176.35 175.97 1sgx s MET 630 N 0.71 3.17 0.00 1.98 -1.94 0.44 -1.09 119.30 122.57 1sgx s MET 630 Ca -0.03 -0.76 0.04 0.00 -1.71 0.00 0.00 55.69 53.23 1sgx s MET 630 Cb -0.15 -2.64 -0.01 0.00 2.01 0.00 0.00 34.83 34.04 1sgx s MET 630 CO 0.02 -0.06 -0.14 0.08 -0.01 0.00 0.00 175.02 174.92 1sgx s VAL 631 N 0.99 1.07 0.30 -6.03 1.01 0.01 -0.19 120.40 117.55 1sgx s VAL 631 Ca -0.02 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 1sgx s VAL 631 Cb -0.15 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.35 1sgx s VAL 631 CO -0.03 0.21 0.75 -1.83 0.00 0.00 0.00 175.10 174.20 1sgx s GLU 632 N -0.55 1.86 0.00 2.72 -1.05 -0.77 0.36 118.70 121.27 1sgx s GLU 632 Ca 0.04 -1.08 0.00 0.00 -0.15 0.00 0.00 54.97 53.78 1sgx s GLU 632 Cb -0.06 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 1sgx s GLU 632 CO -0.00 -0.86 0.00 0.41 0.95 0.00 0.00 175.26 175.76 1sgx n GLY 633 N -0.48 1.53 3.67 -3.83 0.00 -1.26 -1.09 105.19 103.73 1sgx n GLY 633 Ca -0.05 0.43 -0.46 0.00 0.00 0.00 0.00 46.02 45.94 1sgx n GLY 633 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sgx n SER 634 N 0.00 2.99 0.00 1.61 7.64 -1.26 -0.94 113.62 123.66 1sgx n SER 634 Ca 0.00 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1sgx n SER 634 Cb 0.00 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.77 1sgx n SER 634 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgx n GLY 635 N 2.97 2.59 0.13 0.23 0.00 -1.26 -4.66 105.19 105.19 1sgx n GLY 635 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1sgx n GLY 635 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sgx n LEU 636 N 0.00 1.94 -3.90 0.99 4.77 -0.11 -0.74 117.00 119.94 1sgx n LEU 636 Ca 0.00 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.25 1sgx n LEU 636 Cb 0.00 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.16 1sgx n LEU 636 CO 0.00 0.49 -0.15 -1.48 -1.33 0.00 0.00 177.39 174.92 1sgx s LEU 637 N -7.60 1.64 -0.26 2.23 0.05 -1.00 -2.69 118.68 111.06 1sgx s LEU 637 Ca -0.36 -0.70 -0.24 0.00 0.05 0.00 0.00 54.13 52.88 1sgx s LEU 637 Cb 0.13 0.85 -0.01 0.00 -2.05 0.00 0.00 46.19 45.12 1sgx s LEU 637 CO 0.51 -0.69 0.80 -0.76 -0.55 0.00 0.00 176.35 175.66 1sgx s LEU 638 N -2.80 4.08 0.00 1.48 1.43 -1.26 -4.56 118.68 117.04 1sgx s LEU 638 Ca 0.04 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1sgx s LEU 638 Cb 0.05 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1sgx s LEU 638 CO -0.10 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 176.57 1sgx n GLY 639 N 3.88 0.28 3.60 -3.19 0.00 -1.26 -4.79 105.19 103.71 1sgx n GLY 639 Ca 0.05 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1sgx n GLY 639 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sgx s ASN 640 N -4.00 5.14 -0.26 1.61 2.47 -1.26 -4.48 114.94 114.16 1sgx s ASN 640 Ca 0.00 0.03 -0.12 0.00 0.42 0.00 0.00 52.86 53.19 1sgx s ASN 640 Cb 0.00 -1.69 -0.05 0.00 -1.45 0.00 0.00 41.25 38.07 1sgx s ASN 640 CO 0.00 0.26 0.21 -0.22 -3.72 0.00 0.00 177.10 173.63 1sgx s LEU 641 N -0.16 4.07 -0.19 3.21 0.20 0.16 -4.93 118.68 121.03 1sgx s LEU 641 Ca 0.05 0.10 -0.03 0.00 0.69 0.00 0.00 54.13 54.94 1sgx s LEU 641 Cb -0.13 -2.17 -0.01 0.00 -0.43 0.00 0.00 46.19 43.45 1sgx s LEU 641 CO 0.02 -0.02 -0.06 -0.75 -0.29 0.00 0.00 176.35 175.25 1sgx s LYS 642 N 1.48 3.41 -0.09 1.98 2.20 -1.26 -0.81 119.74 126.65 1sgx s LYS 642 Ca 0.09 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 1sgx s LYS 642 Cb -0.15 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1sgx s LYS 642 CO 0.08 -0.07 -0.12 0.42 -0.36 0.00 0.00 175.35 175.31 1sgx s ILE 643 N 1.13 1.23 -0.03 5.43 1.01 -0.25 -4.99 121.20 124.72 1sgx s ILE 643 Ca 0.01 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 59.92 1sgx s ILE 643 Cb -0.15 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1sgx s ILE 643 CO -0.01 0.39 0.83 -1.81 0.00 0.00 0.00 174.94 174.34 1sgx s ASP 644 N 1.05 7.17 -0.13 3.58 -0.00 -1.26 -0.81 116.67 126.28 1sgx s ASP 644 Ca -0.07 1.41 -0.01 0.00 -0.00 0.00 0.00 52.55 53.88 1sgx s ASP 644 Cb -0.15 -2.49 -0.02 0.00 -0.00 0.00 0.00 42.92 40.26 1sgx s ASP 644 CO -0.01 -0.18 -0.08 -0.69 -0.00 0.00 0.00 175.17 174.21 1sgx s VAL 645 N 0.87 3.57 0.92 -1.27 1.01 -0.30 -4.97 120.40 120.23 1sgx s VAL 645 Ca 0.44 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1sgx s VAL 645 Cb -0.19 -2.52 0.15 0.00 0.00 0.00 0.00 36.38 33.82 1sgx s VAL 645 CO 0.23 0.53 1.12 -2.16 0.00 0.00 0.00 175.10 174.81 1sgx s PRO 646 N 0.09 0.98 0.27 2.72 0.04 -1.26 -3.78 135.00 134.06 1sgx s PRO 646 Ca -0.03 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 1sgx s PRO 646 Cb -0.14 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.52 1sgx s PRO 646 CO 0.03 -2.58 1.21 2.41 0.04 0.00 0.00 177.00 178.12 1sgx n THR 647 N -4.18 1.54 -3.95 1.26 -1.04 -1.26 -4.83 114.28 101.82 1sgx n THR 647 Ca 0.10 -0.38 -0.35 0.00 -2.04 0.00 0.00 64.05 61.38 1sgx n THR 647 Cb 0.53 -1.25 -0.14 0.00 -1.82 0.00 0.00 70.33 67.64 1sgx n THR 647 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1sgx s LEU 648 N 0.01 2.92 1.17 -4.42 2.96 -0.92 -4.99 118.68 115.42 1sgx s LEU 648 Ca 0.63 -0.62 -0.16 0.00 -0.22 0.00 0.00 54.13 53.75 1sgx s LEU 648 Cb -0.68 -1.68 0.27 0.00 0.50 0.00 0.00 46.19 44.61 1sgx s LEU 648 CO 0.56 -0.06 1.06 -0.83 -1.32 0.00 0.00 176.35 175.76 1sgx s GLY 649 N 1.39 1.54 0.31 7.98 0.00 -1.26 -1.44 107.32 115.84 1sgx s GLY 649 Ca 0.03 -0.61 -0.30 0.00 0.00 0.00 0.00 44.72 43.85 1sgx s GLY 649 CO -0.05 0.19 1.56 -4.14 0.00 0.00 0.00 173.10 170.66 1sgx s PRO 650 N -5.04 4.13 -0.13 2.90 0.02 -1.25 -2.01 135.00 133.62 1sgx s PRO 650 Ca 0.68 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.26 1sgx s PRO 650 Cb -0.16 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1sgx s PRO 650 CO 0.58 -0.60 0.00 1.63 -0.33 0.00 0.00 177.00 178.29 1sgx n LYS 651 N 1.86 -1.87 -2.34 5.54 4.01 -0.07 -4.96 118.16 120.33 1sgx n LYS 651 Ca 0.07 0.52 -0.24 0.00 -0.51 0.00 0.00 58.31 58.14 1sgx n LYS 651 Cb 0.38 -4.94 0.06 0.00 -0.51 0.00 0.00 35.03 30.01 1sgx n LYS 651 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1sgx s GLU 652 N -2.01 2.33 -0.02 1.97 0.41 -0.85 -4.78 118.70 115.75 1sgx s GLU 652 Ca 0.00 -0.39 0.05 0.00 -0.41 0.00 0.00 54.97 54.22 1sgx s GLU 652 Cb 0.00 -2.27 -0.01 0.00 -1.78 0.00 0.00 34.13 30.07 1sgx s GLU 652 CO 0.00 -1.06 -0.16 0.50 -0.49 0.00 0.00 175.26 174.05 1sgx s ARG 653 N -5.10 1.32 -0.22 1.61 3.52 -1.26 -0.93 118.95 117.90 1sgx s ARG 653 Ca 0.59 -0.56 -0.10 0.00 -0.13 0.00 0.00 55.73 55.53 1sgx s ARG 653 Cb -0.11 -1.26 -0.05 0.00 -1.56 0.00 0.00 34.95 31.98 1sgx s ARG 653 CO 0.43 0.32 0.14 0.45 -0.81 0.00 0.00 175.30 175.83 1sgx s SER 654 N -0.31 6.08 -0.26 -2.12 0.15 0.23 -4.95 113.70 112.52 1sgx s SER 654 Ca 0.05 0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.86 1sgx s SER 654 Cb -0.07 -2.08 0.06 0.00 -1.71 0.00 0.00 66.02 62.22 1sgx s SER 654 CO -0.00 0.11 -0.08 -0.60 1.20 0.00 0.00 173.24 173.86 1sgx s ARG 655 N 0.78 2.03 -0.13 5.44 3.00 -1.26 -1.81 118.95 127.00 1sgx s ARG 655 Ca 0.07 -1.31 0.03 0.00 -1.00 0.00 0.00 55.73 53.53 1sgx s ARG 655 Cb -0.13 -2.84 0.01 0.00 0.00 0.00 0.00 34.95 31.99 1sgx s ARG 655 CO 0.02 -0.61 -0.23 0.08 0.00 0.00 0.00 175.30 174.56 1sgx s VAL 656 N 1.16 2.06 -0.02 7.11 1.01 -0.53 -4.99 120.40 126.20 1sgx s VAL 656 Ca -0.07 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1sgx s VAL 656 Cb -0.20 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1sgx s VAL 656 CO -0.06 0.55 -0.03 -0.13 0.00 0.00 0.00 175.10 175.44 1sgx s ARG 657 N 0.65 2.74 -0.04 2.72 0.52 -1.26 -0.75 118.95 123.53 1sgx s ARG 657 Ca -0.11 -0.60 -0.28 0.00 -0.52 0.00 0.00 55.73 54.21 1sgx s ARG 657 Cb -0.16 -2.63 0.06 0.00 0.52 0.00 0.00 34.95 32.74 1sgx s ARG 657 CO 0.02 0.63 0.62 -0.59 0.02 0.00 0.00 175.30 176.00 1sgx s PHE 658 N -1.00 -0.58 0.12 -0.53 -0.12 -0.93 -5.03 117.98 109.92 1sgx s PHE 658 Ca 0.17 0.99 0.05 0.00 -0.05 0.00 0.00 56.93 58.08 1sgx s PHE 658 Cb -0.11 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 1sgx s PHE 658 CO 0.07 -0.57 0.08 -0.51 -0.05 0.00 0.00 175.22 174.24 1sgx s ASP 659 N -1.21 5.35 0.10 1.98 -0.00 -1.26 -0.85 116.67 120.78 1sgx s ASP 659 Ca -0.11 -0.13 0.05 0.00 -0.00 0.00 0.00 52.55 52.36 1sgx s ASP 659 Cb -0.01 -1.36 -0.03 0.00 -0.00 0.00 0.00 42.92 41.51 1sgx s ASP 659 CO 0.09 0.12 -0.14 0.27 -0.00 0.00 0.00 175.17 175.52 1sgx s ILE 660 N -1.55 1.19 -0.48 0.77 -4.36 -0.60 -4.93 121.20 111.24 1sgx s ILE 660 Ca 0.29 -1.54 0.04 0.00 -0.26 0.00 0.00 60.65 59.18 1sgx s ILE 660 Cb -0.11 -1.32 0.13 0.00 1.25 0.00 0.00 42.46 42.40 1sgx s ILE 660 CO 0.21 -0.36 0.22 -0.22 0.24 0.00 0.00 174.94 175.04 1sgx s LEU 661 N -2.16 4.07 0.17 0.37 2.96 -1.17 0.11 118.68 123.03 1sgx s LEU 661 Ca 0.04 -2.81 -0.34 0.00 -0.22 0.00 0.00 54.13 50.80 1sgx s LEU 661 Cb -0.07 -1.53 -0.15 0.00 0.50 0.00 0.00 46.19 44.95 1sgx s LEU 661 CO 0.02 -0.26 1.42 -2.65 -1.32 0.00 0.00 176.35 173.57 1sgx n PRO 662 N 3.36 1.77 -0.01 0.98 -0.02 -1.09 -4.57 135.00 135.42 1sgx n PRO 662 Ca 0.05 0.63 0.09 0.00 -2.02 0.00 0.00 63.50 62.26 1sgx n PRO 662 Cb 0.34 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 1sgx n PRO 662 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sgx n SER 663 N 2.69 0.70 -4.06 2.55 3.41 0.08 -0.00 113.62 118.99 1sgx n SER 663 Ca 0.16 -0.37 -0.14 0.00 -0.26 0.00 0.00 58.87 58.26 1sgx n SER 663 Cb 0.27 1.54 -0.12 0.00 -0.26 0.00 0.00 64.21 65.64 1sgx n SER 663 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1sgx s ARG 664 N -3.12 0.56 0.46 4.33 3.52 -1.17 -4.84 118.95 118.70 1sgx s ARG 664 Ca -0.02 -0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 54.87 1sgx s ARG 664 Cb 0.13 -0.38 -0.01 0.00 -1.56 0.00 0.00 34.95 33.13 1sgx s ARG 664 CO 0.79 0.08 0.70 -1.54 -0.81 0.00 0.00 175.30 174.51 1sgx s SER 665 N -1.40 5.90 0.00 -2.12 1.04 -1.26 -4.82 113.70 111.04 1sgx s SER 665 Ca -0.07 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1sgx s SER 665 Cb -0.09 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1sgx s SER 665 CO 0.01 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1sgx n GLY 666 N -2.13 -0.20 3.58 7.32 0.00 0.34 -4.92 105.19 109.18 1sgx n GLY 666 Ca 0.01 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 1sgx n GLY 666 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgx s THR 667 N -0.65 4.37 0.37 2.61 2.01 -1.26 -0.12 115.64 122.98 1sgx s THR 667 Ca 0.00 0.98 0.08 0.00 0.31 0.00 0.00 61.69 63.06 1sgx s THR 667 Cb 0.00 -4.50 -0.02 0.00 0.01 0.00 0.00 72.50 67.99 1sgx s THR 667 CO 0.00 -0.88 0.35 -0.54 -0.69 0.00 0.00 174.62 172.86 1sgx s LYS 668 N 4.01 2.67 -0.21 4.92 -0.14 0.92 -4.92 119.74 127.00 1sgx s LYS 668 Ca 0.42 -1.38 0.01 0.00 -1.36 0.00 0.00 55.97 53.66 1sgx s LYS 668 Cb -0.09 -2.47 0.04 0.00 -1.68 0.00 0.00 37.83 33.63 1sgx s LYS 668 CO 0.28 -0.04 -0.14 -1.14 -0.76 0.00 0.00 175.35 173.55 1sgx s GLN 669 N -4.07 2.42 -0.16 1.68 0.74 -1.26 -0.53 119.66 118.47 1sgx s GLN 669 Ca 0.45 -0.96 -0.13 0.00 0.05 0.00 0.00 55.36 54.76 1sgx s GLN 669 Cb -0.05 -2.58 -0.05 0.00 1.10 0.00 0.00 33.01 31.43 1sgx s GLN 669 CO 0.28 -0.38 0.28 -1.17 -0.55 0.00 0.00 175.29 173.74 1sgx s LEU 670 N 1.29 4.25 0.12 3.68 2.96 0.03 -4.41 118.68 126.60 1sgx s LEU 670 Ca -0.01 0.50 0.10 0.00 -0.22 0.00 0.00 54.13 54.51 1sgx s LEU 670 Cb -0.16 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1sgx s LEU 670 CO -0.09 0.12 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.04 1sgx s LEU 671 N 0.36 2.31 -0.04 -0.68 1.43 -0.25 -0.34 118.68 121.47 1sgx s LEU 671 Ca 0.16 -0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 1sgx s LEU 671 Cb -0.13 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 44.94 1sgx s LEU 671 CO 0.04 0.16 0.16 0.00 0.23 0.00 0.00 176.35 176.94 1sgx s ALA 672 N -1.06 -0.39 -0.09 4.21 0.00 -0.42 -1.85 121.76 122.16 1sgx s ALA 672 Ca 0.13 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.34 1sgx s ALA 672 Cb -0.10 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1sgx s ALA 672 CO 0.05 -0.14 -0.19 0.34 0.00 0.00 0.00 175.76 175.83 1sgx s ASP 673 N -0.55 2.56 -0.21 0.00 2.15 0.73 -1.45 116.67 119.89 1sgx s ASP 673 Ca -0.06 -0.46 0.02 0.00 0.43 0.00 0.00 52.55 52.48 1sgx s ASP 673 Cb -0.04 -1.17 0.04 0.00 -0.30 0.00 0.00 42.92 41.44 1sgx s ASP 673 CO 0.01 0.10 -0.16 0.12 -0.17 0.00 0.00 175.17 175.07 1sgx s PHE 674 N 0.52 2.98 -0.01 -5.34 5.36 0.66 -0.42 117.98 121.72 1sgx s PHE 674 Ca -0.16 -1.93 0.08 0.00 -0.96 0.00 0.00 56.93 53.95 1sgx s PHE 674 Cb -0.17 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.57 1sgx s PHE 674 CO 0.06 -0.84 -0.25 -1.12 -1.46 0.00 0.00 175.22 171.61 1sgx s SER 675 N 1.21 2.91 0.30 6.13 0.01 -0.48 -0.54 113.70 123.23 1sgx s SER 675 Ca -0.01 -0.46 -0.08 0.00 1.31 0.00 0.00 55.95 56.71 1sgx s SER 675 Cb -0.16 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.75 1sgx s SER 675 CO -0.10 0.30 0.48 0.00 0.41 0.00 0.00 173.24 174.34 1sgx h ASN 677 N 2.19 0.94 0.45 0.00 -1.07 -1.30 -2.84 115.58 113.96 1sgx h ASN 677 Ca -0.28 0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.12 1sgx h ASN 677 Cb 1.25 -0.17 0.00 0.00 -2.07 0.00 0.00 38.32 37.33 1sgx h ASN 677 CO 0.38 0.56 -0.89 0.29 0.07 0.00 0.00 177.43 177.84 1sgx n LYS 678 N -4.58 0.21 -3.51 4.14 4.76 -1.26 -4.68 118.16 113.24 1sgx n LYS 678 Ca 0.16 0.01 -0.28 0.00 -2.87 0.00 0.00 58.31 55.33 1sgx n LYS 678 Cb 0.26 -1.58 -0.11 0.00 -1.84 0.00 0.00 35.03 31.76 1sgx n LYS 678 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1sgx s PHE 679 N -3.14 1.31 0.32 2.13 0.40 -1.07 -5.09 117.98 112.83 1sgx s PHE 679 Ca 0.06 -2.20 -0.27 0.00 -0.60 0.00 0.00 56.93 53.92 1sgx s PHE 679 Cb 0.15 -1.21 -0.09 0.00 0.51 0.00 0.00 43.02 42.37 1sgx s PHE 679 CO 0.78 -0.80 1.01 -1.25 0.70 0.00 0.00 175.22 175.66 1sgx s PRO 680 N 0.31 4.52 -1.18 0.24 0.04 -1.23 -2.19 135.00 135.51 1sgx s PRO 680 Ca 0.25 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 1sgx s PRO 680 Cb -0.10 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 1sgx s PRO 680 CO -0.10 0.18 0.75 0.00 0.04 0.00 0.00 177.00 177.87 1sgx n ALA 681 N 0.68 -2.46 -2.11 8.56 0.00 -1.24 -4.87 120.51 119.07 1sgx n ALA 681 Ca 0.01 -0.23 -0.40 0.00 0.00 0.00 0.00 53.44 52.82 1sgx n ALA 681 Cb 0.48 -3.75 -0.05 0.00 0.00 0.00 0.00 19.45 16.13 1sgx n ALA 681 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sgx s ILE 682 N -3.53 4.42 0.19 0.00 1.01 0.29 -4.85 121.20 118.73 1sgx s ILE 682 Ca 0.39 1.89 0.08 0.00 0.00 0.00 0.00 60.65 63.01 1sgx s ILE 682 Cb -0.14 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 1sgx s ILE 682 CO 0.86 0.42 -0.01 -0.54 0.00 0.00 0.00 174.94 175.67 1sgx s LYS 683 N -0.57 2.37 -0.00 2.79 -0.14 -1.26 -0.25 119.74 122.68 1sgx s LYS 683 Ca 0.41 -1.16 -0.13 0.00 -1.36 0.00 0.00 55.97 53.73 1sgx s LYS 683 Cb -0.23 -2.32 0.02 0.00 -1.68 0.00 0.00 37.83 33.61 1sgx s LYS 683 CO 0.28 0.44 0.26 0.00 -0.76 0.00 0.00 175.35 175.57 1sgx s ALA 684 N -1.81 -0.64 -0.08 5.17 0.00 -0.53 -4.49 121.76 119.39 1sgx s ALA 684 Ca 0.28 0.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 1sgx s ALA 684 Cb -0.09 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1sgx s ALA 684 CO 0.19 -0.27 0.22 1.41 0.00 0.00 0.00 175.76 177.31 1sgx s MET 685 N -1.52 0.28 -0.09 0.00 1.75 -1.26 -1.30 119.30 117.15 1sgx s MET 685 Ca -0.13 0.29 -0.03 0.00 -1.25 0.00 0.00 55.69 54.57 1sgx s MET 685 Cb -0.05 0.13 0.05 0.00 2.84 0.00 0.00 34.83 37.80 1sgx s MET 685 CO 0.02 -0.04 0.17 -1.17 -0.65 0.00 0.00 175.02 173.36 1sgx s LEU 686 N 0.06 -0.01 0.07 4.11 2.96 0.53 -4.87 118.68 121.54 1sgx s LEU 686 Ca -0.01 0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 53.96 1sgx s LEU 686 Cb -0.02 0.33 -0.05 0.00 0.50 0.00 0.00 46.19 46.95 1sgx s LEU 686 CO 0.00 -0.23 1.01 -0.55 -1.32 0.00 0.00 176.35 175.26 1sgx s SER 687 N 2.17 7.39 -0.11 3.68 0.15 -1.26 -0.79 113.70 124.94 1sgx s SER 687 Ca 0.01 1.80 0.00 0.00 0.70 0.00 0.00 55.95 58.47 1sgx s SER 687 Cb -0.12 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.63 1sgx s SER 687 CO -0.06 -0.19 -0.10 -0.63 1.20 0.00 0.00 173.24 173.46 1sgx s ILE 688 N 0.44 1.13 -0.41 6.45 1.01 0.31 -4.96 121.20 125.16 1sgx s ILE 688 Ca 0.50 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.54 1sgx s ILE 688 Cb -0.24 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.15 1sgx s ILE 688 CO 0.30 0.38 0.77 -1.81 0.00 0.00 0.00 174.94 174.57 1sgx s ASP 689 N 1.44 6.46 -0.28 3.58 1.01 -1.26 -0.05 116.67 127.57 1sgx s ASP 689 Ca 0.01 0.06 -0.17 0.00 0.71 0.00 0.00 52.55 53.16 1sgx s ASP 689 Cb -0.13 -2.38 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1sgx s ASP 689 CO -0.06 -0.83 0.47 -0.69 0.21 0.00 0.00 175.17 174.27 1sgx s VAL 690 N 3.17 5.10 0.71 -1.27 1.01 0.83 -4.54 120.40 125.40 1sgx s VAL 690 Ca 0.30 0.70 -0.08 0.00 0.00 0.00 0.00 61.98 62.89 1sgx s VAL 690 Cb -0.13 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.50 1sgx s VAL 690 CO 0.20 0.07 1.05 0.00 0.00 0.00 0.00 175.10 176.41 1sgx s ALA 691 N 2.24 3.02 -2.01 5.51 0.00 0.09 -0.50 121.76 130.12 1sgx s ALA 691 Ca 0.19 -0.75 0.32 0.00 0.00 0.00 0.00 51.96 51.72 1sgx s ALA 691 Cb -0.16 -2.74 1.89 0.00 0.00 0.00 0.00 23.12 22.12 1sgx s ALA 691 CO 0.10 -1.29 2.22 -1.91 0.00 0.00 0.00 175.76 174.88