#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jha n GLU 3 N 0.00 0.00 -1.63 0.54 -0.58 -1.26 -4.92 120.64 112.78 2jha n GLU 3 Ca 0.00 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.28 2jha n GLU 3 Cb 0.00 -0.65 -0.03 0.00 -0.57 0.00 0.00 31.44 30.19 2jha n GLU 3 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jha n PRO 4 N -2.28 1.68 -4.52 3.49 -0.02 -1.26 -4.67 135.00 127.41 2jha n PRO 4 Ca 0.00 0.60 -0.25 0.00 -2.02 0.00 0.00 63.50 61.83 2jha n PRO 4 Cb 0.29 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.49 2jha n PRO 4 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2jha s HIS 5 N -0.17 2.29 0.21 6.00 -3.43 -1.26 -4.85 115.29 114.07 2jha s HIS 5 Ca 0.69 -0.59 0.05 0.00 -0.80 0.00 0.00 55.06 54.41 2jha s HIS 5 Cb -0.73 -1.36 -0.03 0.00 -1.43 0.00 0.00 32.58 29.03 2jha s HIS 5 CO 0.51 0.47 0.29 0.00 -2.00 0.00 0.00 174.74 174.01 2jha s ALA 6 N -2.75 3.85 -0.35 -1.38 0.00 -1.26 -4.47 121.76 115.38 2jha s ALA 6 Ca 0.32 -1.20 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 2jha s ALA 6 Cb 0.04 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 2jha s ALA 6 CO 0.15 0.36 0.42 0.08 0.00 0.00 0.00 175.76 176.78 2jha s VAL 7 N -1.91 5.10 -1.19 0.00 1.01 0.30 -1.01 120.40 122.70 2jha s VAL 7 Ca 0.34 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 62.27 2jha s VAL 7 Cb -0.10 -3.90 0.15 0.00 0.00 0.00 0.00 36.38 32.54 2jha s VAL 7 CO 0.28 -0.18 1.44 -0.76 0.00 0.00 0.00 175.10 175.88 2jha s LEU 8 N 2.17 4.90 -0.10 3.92 1.43 0.75 0.07 118.68 131.82 2jha s LEU 8 Ca 0.14 -2.84 -0.29 0.00 -1.03 0.00 0.00 54.13 50.11 2jha s LEU 8 Cb -0.16 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 2jha s LEU 8 CO 0.12 -0.83 1.53 -0.47 0.23 0.00 0.00 176.35 176.94 2jha s TYR 9 N 2.00 2.24 0.32 0.29 5.04 0.07 -2.95 117.35 124.37 2jha s TYR 9 Ca 0.43 0.45 0.09 0.00 -2.44 0.00 0.00 57.07 55.60 2jha s TYR 9 Cb -0.02 -3.79 -0.05 0.00 0.35 0.00 0.00 41.96 38.45 2jha s TYR 9 CO 0.00 -3.16 0.07 0.14 -1.34 0.00 0.00 175.55 171.25 2jha s VAL 10 N 3.93 2.99 0.42 3.14 -7.23 -0.81 -0.43 120.40 122.41 2jha s VAL 10 Ca 0.68 -1.83 0.05 0.00 -1.81 0.00 0.00 61.98 59.06 2jha s VAL 10 Cb -0.29 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 33.76 2jha s VAL 10 CO 0.25 -0.23 0.60 0.42 -0.31 0.00 0.00 175.10 175.82 2jha s THR 11 N -2.43 3.51 0.11 5.32 -4.23 -0.72 -4.54 115.64 112.66 2jha s THR 11 Ca 0.35 -0.83 -0.32 0.00 -1.18 0.00 0.00 61.69 59.72 2jha s THR 11 Cb -0.03 -3.24 -0.11 0.00 1.34 0.00 0.00 72.50 70.46 2jha s THR 11 CO 0.21 -0.12 1.58 0.78 -0.54 0.00 0.00 174.62 176.53 2jha h ASN 12 N 0.56 -1.30 -1.36 3.99 -0.26 -1.99 0.87 115.58 116.10 2jha h ASN 12 Ca -0.44 0.14 0.40 0.00 -0.56 0.00 0.00 56.30 55.84 2jha h ASN 12 Cb 1.27 0.48 -0.08 0.00 -1.06 0.00 0.00 38.32 38.93 2jha h ASN 12 CO 0.52 -0.51 0.95 1.05 -1.06 0.00 0.00 177.43 178.37 2jha h GLU 13 N -0.69 0.08 -0.00 0.81 9.09 -2.01 0.19 114.58 122.05 2jha h GLU 13 Ca 0.01 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 2jha h GLU 13 Cb 0.71 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.79 2jha h GLU 13 CO -0.24 0.05 -0.39 -0.11 0.05 0.00 0.00 179.01 178.37 2jha n LEU 14 N -4.31 0.61 0.12 3.06 7.94 0.28 -4.63 117.00 120.07 2jha n LEU 14 Ca 0.32 -0.05 -0.05 0.00 -1.11 0.00 0.00 56.01 55.13 2jha n LEU 14 Cb 1.39 -0.22 -0.02 0.00 0.53 0.00 0.00 43.42 45.09 2jha n LEU 14 CO 0.35 0.13 0.33 -1.28 -1.11 0.00 0.00 177.39 175.81 2jha h SER 15 N 0.34 -0.27 -0.17 1.96 0.87 -0.43 -3.29 113.55 112.56 2jha h SER 15 Ca 0.00 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2jha h SER 15 Cb 0.49 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2jha h SER 15 CO 0.00 -0.13 0.12 0.00 -0.53 0.00 0.00 176.83 176.29 2jha n HIS 16 N -3.23 0.04 -0.03 2.24 1.44 -1.26 -1.43 115.22 112.99 2jha n HIS 16 Ca -0.04 0.04 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 2jha n HIS 16 Cb 0.13 -0.25 -0.07 0.00 0.12 0.00 0.00 29.99 29.92 2jha n HIS 16 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 2jha h ILE 17 N 0.00 0.89 -0.57 0.61 2.04 -1.91 -3.32 117.51 115.25 2jha h ILE 17 Ca 0.10 -1.56 0.11 0.00 1.00 0.00 0.00 64.86 64.50 2jha h ILE 17 Cb 0.34 1.65 -0.10 0.00 -0.74 0.00 0.00 36.82 37.97 2jha h ILE 17 CO -0.03 0.29 -0.16 0.52 0.00 0.00 0.00 178.15 178.77 2jha n VAL 18 N -4.75 -0.25 0.10 1.67 0.31 -0.51 0.19 118.33 115.08 2jha n VAL 18 Ca -0.06 1.31 0.12 0.00 -0.01 0.00 0.00 64.34 65.70 2jha n VAL 18 Cb 0.25 -1.79 0.18 0.00 -0.91 0.00 0.00 33.84 31.57 2jha n VAL 18 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2jha n LYS 19 N -4.90 0.02 -0.05 5.55 4.01 -1.24 -1.78 118.16 119.76 2jha n LYS 19 Ca 0.08 0.97 -0.18 0.00 -0.51 0.00 0.00 58.31 58.68 2jha n LYS 19 Cb 0.27 -2.54 -0.13 0.00 -0.51 0.00 0.00 35.03 32.12 2jha n LYS 19 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 2jha h ASP 20 N 0.00 0.11 -3.74 4.39 3.32 0.18 -3.48 116.42 117.20 2jha h ASP 20 Ca 0.21 -0.85 -0.47 0.00 0.02 0.00 0.00 57.03 55.93 2jha h ASP 20 Cb 2.38 -0.04 0.19 0.00 0.22 0.00 0.00 39.33 42.09 2jha h ASP 20 CO -0.00 1.26 0.12 -0.83 -1.72 0.00 0.00 179.24 178.07 2jha s GLY 21 N -4.50 1.60 -0.06 2.75 0.00 -0.73 -4.94 107.32 101.44 2jha s GLY 21 Ca -0.21 0.11 0.13 0.00 0.00 0.00 0.00 44.72 44.75 2jha s GLY 21 CO 0.69 0.69 1.34 0.69 0.00 0.00 0.00 173.10 176.52 2jha n PHE 22 N -4.51 0.91 -3.76 1.90 3.01 -1.26 -4.86 117.46 108.89 2jha n PHE 22 Ca 0.06 -0.38 -0.29 0.00 1.01 0.00 0.00 57.45 57.86 2jha n PHE 22 Cb 0.54 -0.13 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 2jha n PHE 22 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2jha s LEU 23 N -1.29 4.27 0.55 4.37 1.43 -1.26 -5.09 118.68 121.66 2jha s LEU 23 Ca 0.34 0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 53.63 2jha s LEU 23 Cb 0.21 -3.13 -0.06 0.00 0.03 0.00 0.00 46.19 43.24 2jha s LEU 23 CO 0.18 0.02 1.14 -2.84 0.23 0.00 0.00 176.35 175.08 2jha s PRO 24 N -3.05 3.31 -0.31 1.29 0.02 -1.26 -4.82 135.00 130.18 2jha s PRO 24 Ca 0.38 1.63 0.01 0.00 0.02 0.00 0.00 61.00 63.04 2jha s PRO 24 Cb -0.12 -2.00 0.07 0.00 0.02 0.00 0.00 34.50 32.48 2jha s PRO 24 CO 0.28 -0.89 0.00 0.42 -0.33 0.00 0.00 177.00 176.48 2jha s ILE 25 N -1.76 2.59 0.46 2.83 1.09 -1.26 -2.06 121.20 123.08 2jha s ILE 25 Ca 0.73 -1.79 -0.23 0.00 -1.10 0.00 0.00 60.65 58.26 2jha s ILE 25 Cb -0.24 -2.64 -0.07 0.00 -1.06 0.00 0.00 42.46 38.44 2jha s ILE 25 CO 0.28 -0.28 1.19 0.86 -0.10 0.00 0.00 174.94 176.89 2jha s TRP 26 N 1.10 2.85 -0.04 3.97 -0.00 0.55 -4.98 118.94 122.39 2jha s TRP 26 Ca -0.01 1.52 0.02 0.00 -0.00 0.00 0.00 56.10 57.63 2jha s TRP 26 Cb -0.20 -3.43 0.02 0.00 -0.00 0.00 0.00 33.47 29.85 2jha s TRP 26 CO -0.04 -1.63 -0.07 0.21 -0.00 0.00 0.00 176.95 175.42 2jha s LYS 27 N -2.65 1.03 0.35 5.86 2.20 -1.26 -3.33 119.74 121.94 2jha s LYS 27 Ca 0.63 -0.21 0.05 0.00 -0.36 0.00 0.00 55.97 56.07 2jha s LYS 27 Cb -0.30 -0.95 -0.07 0.00 -1.51 0.00 0.00 37.83 35.00 2jha s LYS 27 CO 0.37 -0.01 0.05 -0.51 -0.36 0.00 0.00 175.35 174.88 2jha s LEU 28 N 0.67 2.37 0.00 5.43 1.43 0.79 -4.97 118.68 124.41 2jha s LEU 28 Ca -0.10 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 2jha s LEU 28 Cb -0.13 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.56 2jha s LEU 28 CO 0.01 -0.57 0.00 1.07 0.23 0.00 0.00 176.35 177.09 2jha n THR 29 N -0.77 0.00 0.00 5.49 5.66 -1.26 -4.15 114.28 119.25 2jha n THR 29 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2jha n THR 29 Cb 0.67 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 2jha n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jha n GLY 30 N -0.01 0.00 0.00 1.09 0.00 -1.20 -3.79 105.19 101.28 2jha n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jha n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jha n ASP 31 N 1.25 0.00 -2.95 1.61 5.75 -1.26 -4.96 116.55 115.99 2jha n ASP 31 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2jha n ASP 31 Cb 0.00 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2jha n ASP 31 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jha n GLU 32 N 0.00 -1.95 -2.55 0.11 1.02 -1.25 -5.15 120.64 110.87 2jha n GLU 32 Ca 0.00 1.82 -0.23 0.00 -0.02 0.00 0.00 57.16 58.74 2jha n GLU 32 Cb 0.00 -3.23 0.04 0.00 -0.02 0.00 0.00 31.44 28.23 2jha n GLU 32 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2jha s SER 33 N -1.30 5.22 0.13 1.62 1.04 -1.26 -4.97 113.70 114.18 2jha s SER 33 Ca -0.00 0.16 -0.32 0.00 0.48 0.00 0.00 55.95 56.26 2jha s SER 33 Cb 0.00 -1.02 -0.11 0.00 0.10 0.00 0.00 66.02 65.00 2jha s SER 33 CO 0.40 -1.21 1.53 0.25 0.98 0.00 0.00 173.24 175.19 2jha h LEU 34 N -0.08 -1.85 0.00 2.42 5.85 -2.01 -1.27 115.31 118.38 2jha h LEU 34 Ca -0.43 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2jha h LEU 34 Cb 1.30 0.76 0.00 0.00 0.37 0.00 0.00 40.66 43.09 2jha h LEU 34 CO 0.55 -0.38 0.00 0.59 -0.34 0.00 0.00 178.44 178.86 2jha n ASN 35 N -5.30 0.00 0.05 1.25 4.13 -1.26 -2.00 115.26 112.13 2jha n ASN 35 Ca -0.03 -0.47 -0.09 0.00 1.68 0.00 0.00 54.58 55.67 2jha n ASN 35 Cb 0.33 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.50 2jha n ASN 35 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 2jha h ASP 36 N 0.00 -0.19 -0.36 6.41 5.19 -1.60 -3.27 116.42 122.60 2jha h ASP 36 Ca 0.00 -0.30 0.11 0.00 -0.62 0.00 0.00 57.03 56.22 2jha h ASP 36 Cb 0.00 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2jha h ASP 36 CO 0.00 0.37 0.29 -0.07 -3.12 0.00 0.00 179.24 176.71 2jha h LEU 37 N -0.94 0.00 -0.03 1.55 3.38 -1.51 0.53 115.31 118.29 2jha h LEU 37 Ca -0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 2jha h LEU 37 Cb 0.48 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.24 2jha h LEU 37 CO 0.04 0.00 -0.68 -0.25 0.09 0.00 0.00 178.44 177.64 2jha h TRP 38 N 0.00 0.74 0.00 1.13 7.01 -1.70 -1.45 115.95 121.68 2jha h TRP 38 Ca 0.17 -0.38 -0.17 0.00 2.11 0.00 0.00 58.89 60.62 2jha h TRP 38 Cb 0.74 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.69 2jha h TRP 38 CO 0.00 1.20 -0.82 1.37 -2.79 0.00 0.00 178.44 177.40 2jha h LEU 39 N 0.07 0.00 0.03 0.65 8.10 -1.08 -1.69 115.31 121.38 2jha h LEU 39 Ca -0.08 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.91 2jha h LEU 39 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.59 2jha h LEU 39 CO 0.14 0.82 -0.01 -0.33 -4.11 0.00 0.00 178.44 174.94 2jha h GLU 40 N 0.00 -0.03 -0.85 0.17 4.39 -0.09 -3.09 114.58 115.08 2jha h GLU 40 Ca -0.01 0.00 0.34 0.00 0.34 0.00 0.00 59.36 60.04 2jha h GLU 40 Cb 1.46 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.98 2jha h GLU 40 CO 0.11 -0.02 0.48 -1.71 -1.16 0.00 0.00 179.01 176.70 2jha n ASN 41 N -2.27 0.26 0.16 1.42 5.15 -0.55 0.23 115.26 119.66 2jha n ASN 41 Ca -0.00 1.28 0.11 0.00 -0.60 0.00 0.00 54.58 55.37 2jha n ASN 41 Cb 0.01 -0.63 0.58 0.00 -0.53 0.00 0.00 39.78 39.22 2jha n ASN 41 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jha n GLY 42 N -1.24 -0.89 0.14 8.20 0.00 -0.63 -2.66 105.19 108.10 2jha n GLY 42 Ca 0.31 0.19 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 2jha n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jha h LYS 43 N 0.00 -0.22 -6.30 1.61 1.57 0.28 -3.36 116.57 110.16 2jha h LYS 43 Ca 0.00 0.01 -0.54 0.00 -1.87 0.00 0.00 60.65 58.25 2jha h LYS 43 Cb 0.03 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2jha h LYS 43 CO 0.00 0.12 1.06 0.71 -0.57 0.00 0.00 179.45 180.78 2jha s TYR 44 N -2.91 2.06 -0.08 -1.35 1.51 -1.09 -4.90 117.35 110.60 2jha s TYR 44 Ca -0.10 0.22 0.14 0.00 -1.01 0.00 0.00 57.07 56.33 2jha s TYR 44 Cb 0.00 -3.92 -0.14 0.00 -0.11 0.00 0.00 41.96 37.79 2jha s TYR 44 CO 0.35 -3.84 0.92 0.00 -1.11 0.00 0.00 175.55 171.87 2jha h ALA 45 N 9.30 0.66 -0.66 3.71 0.00 -1.89 -3.47 119.26 126.91 2jha h ALA 45 Ca -0.40 -0.96 -0.51 0.00 0.00 0.00 0.00 54.91 53.04 2jha h ALA 45 Cb 1.18 0.24 0.02 0.00 0.00 0.00 0.00 17.79 19.23 2jha h ALA 45 CO 0.95 1.09 -0.10 0.95 0.00 0.00 0.00 179.25 182.14 2jha s THR 46 N -2.82 1.96 0.57 0.00 -4.23 -1.26 -4.70 115.64 105.15 2jha s THR 46 Ca -0.02 -1.06 -0.20 0.00 -1.18 0.00 0.00 61.69 59.24 2jha s THR 46 Cb 0.08 -2.02 -0.05 0.00 1.34 0.00 0.00 72.50 71.85 2jha s THR 46 CO 0.81 0.00 1.06 0.47 -0.54 0.00 0.00 174.62 176.42 2jha n ASP 47 N -2.25 1.27 -4.43 3.99 8.00 -1.26 -4.75 116.55 117.13 2jha n ASP 47 Ca 0.15 0.87 -0.21 0.00 0.71 0.00 0.00 54.79 56.31 2jha n ASP 47 Cb 0.62 -1.43 -0.10 0.00 -0.02 0.00 0.00 41.12 40.19 2jha n ASP 47 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2jha s VAL 48 N -1.43 1.63 -0.03 2.53 -7.23 -0.18 -4.38 120.40 111.32 2jha s VAL 48 Ca 0.74 -2.12 -0.01 0.00 -1.81 0.00 0.00 61.98 58.77 2jha s VAL 48 Cb -0.43 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 2jha s VAL 48 CO 0.48 -0.29 0.08 -0.31 -0.31 0.00 0.00 175.10 174.76 2jha s TYR 49 N -3.02 3.31 -0.12 2.82 2.02 -0.88 0.27 117.35 121.75 2jha s TYR 49 Ca 0.30 0.25 -0.10 0.00 -0.37 0.00 0.00 57.07 57.15 2jha s TYR 49 Cb 0.04 -1.77 0.04 0.00 -0.40 0.00 0.00 41.96 39.87 2jha s TYR 49 CO 0.12 0.56 0.32 0.00 -1.57 0.00 0.00 175.55 174.98 2jha s ALA 50 N -1.13 -0.78 0.14 3.71 0.00 -1.15 -0.33 121.76 122.21 2jha s ALA 50 Ca 0.21 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.20 2jha s ALA 50 Cb -0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2jha s ALA 50 CO 0.11 -0.18 -0.02 1.52 0.00 0.00 0.00 175.76 177.19 2jha s TYR 51 N 0.59 1.07 0.00 0.00 -0.85 -1.21 -1.93 117.35 115.02 2jha s TYR 51 Ca -0.03 -0.99 0.00 0.00 -0.52 0.00 0.00 57.07 55.52 2jha s TYR 51 Cb -0.05 -0.61 0.00 0.00 0.38 0.00 0.00 41.96 41.68 2jha s TYR 51 CO -0.04 -0.21 0.00 0.41 -1.52 0.00 0.00 175.55 174.20 2jha n GLY 52 N -0.16 2.89 3.46 5.49 0.00 -1.26 -0.15 105.19 115.47 2jha n GLY 52 Ca -0.08 -1.99 -0.54 0.00 0.00 0.00 0.00 46.02 43.41 2jha n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jha n ASP 53 N 0.00 1.91 -2.38 1.61 2.03 -1.26 -4.77 116.55 113.69 2jha n ASP 53 Ca 0.00 0.62 -0.24 0.00 0.52 0.00 0.00 54.79 55.68 2jha n ASP 53 Cb 0.00 -1.16 0.01 0.00 -0.72 0.00 0.00 41.12 39.25 2jha n ASP 53 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2jha n VAL 54 N 6.47 2.30 0.31 5.18 0.24 -1.26 -3.26 118.33 128.31 2jha n VAL 54 Ca 0.41 -4.58 -0.16 0.00 -2.04 0.00 0.00 64.34 57.97 2jha n VAL 54 Cb 0.15 -1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 31.39 2jha n VAL 54 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2jha h SER 55 N 2.50 -0.65 0.30 -1.34 4.64 -1.89 -3.35 113.55 113.76 2jha h SER 55 Ca 0.28 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2jha h SER 55 Cb 1.11 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2jha h SER 55 CO 0.79 -0.37 0.00 0.29 -0.87 0.00 0.00 176.83 176.67 2jha n LYS 56 N -5.37 0.10 -3.83 4.77 5.02 -1.26 -2.72 118.16 114.87 2jha n LYS 56 Ca -0.12 0.23 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 2jha n LYS 56 Cb 0.34 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 2jha n LYS 56 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2jha s TRP 57 N -2.75 3.50 0.75 2.13 0.52 -1.26 -4.64 118.94 117.19 2jha s TRP 57 Ca 0.09 0.33 -0.13 0.00 0.02 0.00 0.00 56.10 56.41 2jha s TRP 57 Cb 0.08 -1.83 0.18 0.00 -1.15 0.00 0.00 33.47 30.74 2jha s TRP 57 CO 0.19 0.51 0.96 0.25 0.02 0.00 0.00 176.95 178.88 2jha n THR 58 N 0.04 0.00 -0.09 2.01 -2.24 -1.26 -1.01 114.28 111.73 2jha n THR 58 Ca -0.04 -0.67 -0.14 0.00 -2.27 0.00 0.00 64.05 60.93 2jha n THR 58 Cb 0.52 -1.57 -0.08 0.00 -2.10 0.00 0.00 70.33 67.11 2jha n THR 58 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2jha h ILE 59 N -1.70 0.61 -0.92 2.28 6.09 -1.97 -2.82 117.51 119.08 2jha h ILE 59 Ca -0.32 -1.72 0.27 0.00 -1.37 0.00 0.00 64.86 61.73 2jha h ILE 59 Cb 0.88 1.41 -0.15 0.00 0.47 0.00 0.00 36.82 39.43 2jha h ILE 59 CO 0.22 0.21 0.26 0.03 -3.07 0.00 0.00 178.15 175.79 2jha h ARG 60 N -1.00 0.15 -0.81 2.19 3.08 -1.96 2.93 114.38 118.97 2jha h ARG 60 Ca -0.18 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.91 2jha h ARG 60 Cb 0.93 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.90 2jha h ARG 60 CO -0.11 0.10 0.53 1.96 -1.07 0.00 0.00 179.97 181.38 2jha h GLN 61 N 0.16 0.89 0.07 0.04 4.20 -1.93 0.30 115.11 118.84 2jha h GLN 61 Ca 0.61 -0.05 -0.26 0.00 0.06 0.00 0.00 58.65 59.00 2jha h GLN 61 Cb 1.30 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 2jha h GLN 61 CO -0.72 0.59 -1.28 -0.07 -0.67 0.00 0.00 178.83 176.69 2jha h LEU 62 N 0.92 0.23 -0.51 1.46 3.38 0.48 -3.20 115.31 118.07 2jha h LEU 62 Ca 0.34 -0.28 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 2jha h LEU 62 Cb 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2jha h LEU 62 CO -0.11 1.23 -0.70 0.03 0.09 0.00 0.00 178.44 178.97 2jha h ARG 63 N 0.04 0.24 0.00 1.13 2.47 0.22 -1.69 114.38 116.79 2jha h ARG 63 Ca -0.13 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 2jha h ARG 63 Cb 1.92 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 30.28 2jha h ARG 63 CO 0.16 0.85 0.00 0.78 0.56 0.00 0.00 179.97 182.31 2jha h GLY 64 N 1.58 0.00 0.71 0.04 0.00 -0.48 0.29 103.07 105.21 2jha h GLY 64 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2jha h GLY 64 CO 0.11 0.00 -0.88 1.42 0.00 0.00 0.00 176.54 177.19 2jha n HIS 65 N -2.70 0.26 -1.63 5.60 8.25 -0.99 -4.96 115.22 119.04 2jha n HIS 65 Ca -0.01 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2jha n HIS 65 Cb 0.12 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.81 2jha n HIS 65 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jha n GLY 66 N 1.39 0.89 3.76 -1.41 0.00 0.10 -4.53 105.19 105.39 2jha n GLY 66 Ca 0.03 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 2jha n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jha s PHE 67 N -2.62 3.84 -0.08 1.61 0.40 -0.67 0.11 117.98 120.57 2jha s PHE 67 Ca 0.00 1.84 0.04 0.00 -0.60 0.00 0.00 56.93 58.21 2jha s PHE 67 Cb 0.00 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.48 2jha s PHE 67 CO 0.00 0.16 -0.19 0.42 0.70 0.00 0.00 175.22 176.31 2jha s ILE 68 N -1.23 1.64 -0.19 0.64 1.01 0.11 -4.76 121.20 118.42 2jha s ILE 68 Ca 0.43 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 60.16 2jha s ILE 68 Cb -0.27 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 2jha s ILE 68 CO 0.33 0.47 0.29 -0.36 0.00 0.00 0.00 174.94 175.67 2jha s PHE 69 N 0.38 3.40 -0.04 3.97 2.99 -1.26 -0.75 117.98 126.68 2jha s PHE 69 Ca -0.14 0.51 0.01 0.00 0.00 0.00 0.00 56.93 57.31 2jha s PHE 69 Cb -0.16 -2.38 0.02 0.00 0.00 0.00 0.00 43.02 40.51 2jha s PHE 69 CO 0.06 0.13 -0.02 0.42 -0.00 0.00 0.00 175.22 175.80 2jha s ILE 70 N 0.86 0.34 0.28 0.64 1.01 0.43 -0.60 121.20 124.16 2jha s ILE 70 Ca 0.15 -0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 2jha s ILE 70 Cb -0.13 -0.41 0.04 0.00 0.01 0.00 0.00 42.46 41.97 2jha s ILE 70 CO 0.05 0.19 0.60 -0.24 0.00 0.00 0.00 174.94 175.53 2jha n SER 71 N 4.16 -1.67 0.05 3.58 2.88 -1.08 -1.76 113.62 119.78 2jha n SER 71 Ca -0.25 -2.14 0.12 0.00 -1.33 0.00 0.00 58.87 55.27 2jha n SER 71 Cb 0.51 2.78 0.13 0.00 -0.75 0.00 0.00 64.21 66.88 2jha n SER 71 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2jha n THR 72 N -0.40 0.30 -3.98 2.46 -2.24 -1.26 -0.86 114.28 108.30 2jha n THR 72 Ca -0.06 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.15 2jha n THR 72 Cb 0.44 -0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.58 2jha n THR 72 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jha s HIS 73 N -3.18 3.37 -0.46 4.78 3.76 -1.26 -4.84 115.29 117.47 2jha s HIS 73 Ca 0.05 0.16 0.18 0.00 -0.15 0.00 0.00 55.06 55.31 2jha s HIS 73 Cb 0.14 -1.69 0.90 0.00 1.11 0.00 0.00 32.58 33.04 2jha s HIS 73 CO 0.74 0.56 1.56 1.17 -0.85 0.00 0.00 174.74 177.92 2jha n LYS 74 N 0.28 0.12 -3.81 1.40 4.81 -1.26 -4.66 118.16 115.04 2jha n LYS 74 Ca -0.07 0.53 -0.02 0.00 -0.87 0.00 0.00 58.31 57.88 2jha n LYS 74 Cb 0.52 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.74 2jha n LYS 74 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2jha s ASN 75 N -3.85 -0.07 -0.22 3.14 2.20 -1.26 0.18 114.94 115.06 2jha s ASN 75 Ca 0.00 -0.50 -0.12 0.00 -0.94 0.00 0.00 52.86 51.31 2jha s ASN 75 Cb 0.06 0.44 0.07 0.00 -2.00 0.00 0.00 41.25 39.83 2jha s ASN 75 CO 0.23 -0.85 0.52 0.54 -2.94 0.00 0.00 177.10 174.60 2jha s VAL 76 N -2.59 -0.11 0.38 3.54 0.11 -1.12 -4.82 120.40 115.79 2jha s VAL 76 Ca 0.18 0.06 -0.26 0.00 -2.93 0.00 0.00 61.98 59.02 2jha s VAL 76 Cb -0.01 -0.77 -0.11 0.00 -1.53 0.00 0.00 36.38 33.95 2jha s VAL 76 CO 0.03 0.02 1.21 1.67 -3.33 0.00 0.00 175.10 174.70 2jha n GLN 77 N 4.42 1.85 -2.30 1.54 -0.06 -1.26 -2.98 117.38 118.59 2jha n GLN 77 Ca -0.21 0.65 -0.03 0.00 -2.00 0.00 0.00 57.00 55.42 2jha n GLN 77 Cb 0.56 -2.26 -0.01 0.00 -4.06 0.00 0.00 30.24 24.47 2jha n GLN 77 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2jha n LEU 78 N 0.55 0.00 -0.07 1.69 4.32 -1.13 -4.76 117.00 117.59 2jha n LEU 78 Ca 0.07 -0.51 -0.04 0.00 -0.02 0.00 0.00 56.01 55.51 2jha n LEU 78 Cb 0.38 0.30 -0.16 0.00 -1.62 0.00 0.00 43.42 42.31 2jha n LEU 78 CO 0.60 -0.09 -1.00 0.00 -1.22 0.00 0.00 177.39 175.68 2jha n ALA 79 N -2.63 1.89 0.10 -1.18 0.00 -0.18 -4.51 120.51 114.00 2jha n ALA 79 Ca -0.02 -1.07 -0.06 0.00 0.00 0.00 0.00 53.44 52.30 2jha n ALA 79 Cb 0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 2jha n ALA 79 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2jha h ASP 80 N 0.00 -0.29 -0.67 0.00 1.82 -1.90 -3.48 116.42 111.90 2jha h ASP 80 Ca -0.37 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.25 2jha h ASP 80 Cb 1.87 0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.95 2jha h ASP 80 CO 0.02 0.17 0.00 2.30 -1.61 0.00 0.00 179.24 180.12 2jha n ILE 81 N -5.01 0.00 -3.81 2.25 -5.35 -1.26 -5.06 119.36 101.13 2jha n ILE 81 Ca -0.05 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.08 2jha n ILE 81 Cb 0.15 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 37.93 2jha n ILE 81 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2jha s ILE 82 N -2.94 3.22 -0.10 7.28 1.01 -1.26 -2.86 121.20 125.54 2jha s ILE 82 Ca 0.00 -2.49 -0.28 0.00 0.00 0.00 0.00 60.65 57.88 2jha s ILE 82 Cb 0.00 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 2jha s ILE 82 CO 0.00 -0.75 0.93 -0.75 0.00 0.00 0.00 174.94 174.37 2jha s LYS 83 N 0.61 4.41 0.08 2.79 2.47 -1.16 -4.80 119.74 124.14 2jha s LYS 83 Ca 0.12 1.24 -0.31 0.00 -1.56 0.00 0.00 55.97 55.47 2jha s LYS 83 Cb -0.22 -3.53 -0.10 0.00 -1.46 0.00 0.00 37.83 32.52 2jha s LYS 83 CO -0.04 -0.25 1.90 0.99 0.16 0.00 0.00 175.35 178.11 2jha s THR 84 N 1.80 2.75 0.05 3.43 2.01 -1.26 -2.77 115.64 121.65 2jha s THR 84 Ca 0.45 0.03 -0.36 0.00 0.31 0.00 0.00 61.69 62.12 2jha s THR 84 Cb -0.18 -3.02 -0.16 0.00 0.01 0.00 0.00 72.50 69.15 2jha s THR 84 CO 0.18 -0.00 1.46 0.52 -0.69 0.00 0.00 174.62 176.09 2jha n VAL 85 N 5.12 0.06 -0.23 3.82 0.31 0.47 -4.89 118.33 122.99 2jha n VAL 85 Ca 0.19 -0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.43 2jha n VAL 85 Cb 0.39 -1.06 0.04 0.00 -0.91 0.00 0.00 33.84 32.30 2jha n VAL 85 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2jha h ASP 86 N 5.35 0.99 -3.19 4.52 3.45 -1.78 -3.43 116.42 122.34 2jha h ASP 86 Ca -0.47 -0.23 -0.45 0.00 0.43 0.00 0.00 57.03 56.31 2jha h ASP 86 Cb 1.31 -0.26 -0.40 0.00 -0.56 0.00 0.00 39.33 39.43 2jha h ASP 86 CO 0.83 0.97 -0.75 -0.69 -1.57 0.00 0.00 179.24 178.02 2jha s VAL 87 N -5.31 0.09 -0.28 -1.35 1.01 0.23 -4.96 120.40 109.84 2jha s VAL 87 Ca -0.12 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 2jha s VAL 87 Cb 0.14 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2jha s VAL 87 CO 0.83 -0.07 0.16 -0.60 0.00 0.00 0.00 175.10 175.42 2jha s ARG 88 N 2.07 3.81 -0.04 2.72 3.52 -1.26 -2.62 118.95 127.15 2jha s ARG 88 Ca 0.03 -0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 54.92 2jha s ARG 88 Cb -0.15 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 2jha s ARG 88 CO -0.07 -0.21 1.23 0.42 -0.81 0.00 0.00 175.30 175.86 2jha s ILE 89 N 1.71 4.15 0.26 4.11 -1.09 -0.04 -4.99 121.20 125.31 2jha s ILE 89 Ca 0.07 1.49 -0.30 0.00 -2.23 0.00 0.00 60.65 59.68 2jha s ILE 89 Cb -0.16 -3.96 -0.10 0.00 -1.58 0.00 0.00 42.46 36.66 2jha s ILE 89 CO 0.09 0.01 1.49 -2.84 -1.23 0.00 0.00 174.94 172.46 2jha s PRO 90 N 2.14 4.22 0.00 2.79 0.02 -1.26 -4.59 135.00 138.31 2jha s PRO 90 Ca 0.57 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.98 2jha s PRO 90 Cb -0.26 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.17 2jha s PRO 90 CO 0.23 -0.50 0.35 0.54 -0.33 0.00 0.00 177.00 177.29 2jha n ARG 91 N 2.40 0.00 -0.26 5.54 1.74 -1.26 -1.41 116.66 123.41 2jha n ARG 91 Ca 0.08 0.35 0.07 0.00 -0.77 0.00 0.00 57.85 57.57 2jha n ARG 91 Cb 0.39 -0.62 0.20 0.00 -1.02 0.00 0.00 32.46 31.41 2jha n ARG 91 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2jha h GLU 92 N 0.00 0.21 -1.21 5.56 5.08 -1.99 0.22 114.58 122.45 2jha h GLU 92 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jha h GLU 92 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2jha h GLU 92 CO 0.00 0.14 0.00 0.28 -1.00 0.00 0.00 179.01 178.43 2jha n VAL 93 N -5.22 0.30 0.00 3.13 0.31 -0.50 -3.22 118.33 113.13 2jha n VAL 93 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 2jha n VAL 93 Cb 0.51 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 2jha n VAL 93 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jha n ALA 94 N 0.62 0.00 0.00 3.52 0.00 0.79 -4.67 120.51 120.77 2jha n ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jha n ALA 94 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2jha n ALA 94 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jha n ARG 95 N 0.00 0.26 0.00 0.00 0.63 -1.20 -2.71 116.66 113.64 2jha n ARG 95 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jha n ARG 95 Cb 0.00 -0.10 0.00 0.00 0.45 0.00 0.00 32.46 32.81 2jha n ARG 95 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jha n SER 96 N -0.39 0.00 -0.56 6.15 7.64 -1.26 -5.05 113.62 120.14 2jha n SER 96 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jha n SER 96 Cb 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2jha n SER 96 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2jha n HIS 97 N -1.24 0.00 -3.68 1.43 8.25 -1.10 -4.90 115.22 113.98 2jha n HIS 97 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2jha n HIS 97 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 2jha n HIS 97 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2jha s ASP 98 N -0.22 6.22 0.21 0.41 -1.08 -1.10 -4.99 116.67 116.12 2jha s ASP 98 Ca 0.00 0.24 0.03 0.00 -0.52 0.00 0.00 52.55 52.30 2jha s ASP 98 Cb 0.00 -2.11 0.16 0.00 -1.46 0.00 0.00 42.92 39.51 2jha s ASP 98 CO 0.00 0.13 1.50 -0.03 0.52 0.00 0.00 175.17 177.29 2jha h MET 99 N 6.91 0.26 0.05 4.34 1.85 -1.90 -2.98 114.93 123.45 2jha h MET 99 Ca -0.40 -0.21 -0.00 0.00 -0.61 0.00 0.00 59.70 58.48 2jha h MET 99 Cb 1.16 0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.23 2jha h MET 99 CO 0.73 0.85 -0.02 0.87 -0.40 0.00 0.00 176.91 178.94 2jha h LYS 100 N 0.18 -0.06 -0.81 0.39 1.57 -1.99 -1.73 116.57 114.12 2jha h LYS 100 Ca -0.02 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.93 2jha h LYS 100 Cb 1.23 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.40 2jha h LYS 100 CO 0.11 -0.04 -0.19 0.00 -0.57 0.00 0.00 179.45 178.76 2jha n ALA 101 N -2.68 0.21 0.15 3.86 0.00 -1.26 0.21 120.51 121.00 2jha n ALA 101 Ca -0.01 0.89 -0.16 0.00 0.00 0.00 0.00 53.44 54.16 2jha n ALA 101 Cb 0.02 -0.54 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 2jha n ALA 101 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2jha h PHE 102 N 0.00 -1.45 -0.09 0.00 3.57 -1.56 -0.30 116.94 117.12 2jha h PHE 102 Ca 0.40 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.92 2jha h PHE 102 Cb 0.63 0.60 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 2jha h PHE 102 CO -0.61 -0.59 0.03 0.93 -2.23 0.00 0.00 178.31 175.84 2jha h GLU 103 N -0.78 0.13 -0.97 1.11 5.08 0.23 -0.30 114.58 119.08 2jha h GLU 103 Ca -0.02 -0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.55 2jha h GLU 103 Cb 0.76 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.86 2jha h GLU 103 CO -0.23 0.26 0.54 -0.91 -1.00 0.00 0.00 179.01 177.66 2jha h ASN 104 N -0.02 0.58 0.16 1.42 4.21 -0.28 0.29 115.58 121.94 2jha h ASN 104 Ca 0.03 0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 2jha h ASN 104 Cb 0.17 0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 37.43 2jha h ASN 104 CO -0.00 0.08 -0.09 -0.08 -1.29 0.00 0.00 177.43 176.05 2jha h GLU 105 N 0.54 -0.23 -0.59 0.81 4.57 -0.03 -3.12 114.58 116.54 2jha h GLU 105 Ca 0.62 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.93 2jha h GLU 105 Cb 1.16 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 29.70 2jha h GLU 105 CO -0.49 -0.15 0.05 0.82 -1.18 0.00 0.00 179.01 178.06 2jha h ILE 106 N -0.23 0.57 -0.66 2.32 2.04 0.73 -2.92 117.51 119.34 2jha h ILE 106 Ca -0.02 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.79 2jha h ILE 106 Cb 0.19 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2jha h ILE 106 CO 0.03 0.03 0.44 1.23 0.00 0.00 0.00 178.15 179.88 2jha h GLY 107 N 0.17 0.93 0.00 5.37 0.00 -1.33 -1.70 103.07 106.51 2jha h GLY 107 Ca 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2jha h GLY 107 CO -0.46 0.34 0.00 0.54 0.00 0.00 0.00 176.54 176.96 2jha n ARG 108 N -4.63 0.00 -0.33 4.80 1.74 -1.10 -1.48 116.66 115.67 2jha n ARG 108 Ca 0.05 0.43 0.32 0.00 -0.77 0.00 0.00 57.85 57.88 2jha n ARG 108 Cb 0.02 -1.30 0.58 0.00 -1.02 0.00 0.00 32.46 30.74 2jha n ARG 108 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2jha n ARG 109 N -1.60 -0.05 -0.08 5.56 3.00 -1.24 0.11 116.66 122.36 2jha n ARG 109 Ca 0.00 1.30 0.03 0.00 -0.00 0.00 0.00 57.85 59.18 2jha n ARG 109 Cb 0.00 -2.37 0.36 0.00 0.00 0.00 0.00 32.46 30.45 2jha n ARG 109 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2jha h ARG 110 N 0.00 0.70 0.00 -0.14 2.43 -0.31 2.28 114.38 119.34 2jha h ARG 110 Ca 0.82 -0.04 -0.24 0.00 -0.81 0.00 0.00 59.98 59.70 2jha h ARG 110 Cb 2.23 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 31.58 2jha h ARG 110 CO -0.70 0.46 -1.35 0.82 -1.51 0.00 0.00 179.97 177.70 2jha h ILE 111 N 0.72 1.16 -0.61 1.20 2.04 0.19 -2.67 117.51 119.54 2jha h ILE 111 Ca 0.20 -2.91 -0.03 0.00 1.00 0.00 0.00 64.86 63.12 2jha h ILE 111 Cb -0.08 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 2jha h ILE 111 CO -0.04 0.66 0.25 0.03 0.00 0.00 0.00 178.15 179.05 2jha h ARG 112 N 0.00 0.88 -0.65 2.37 2.47 0.19 -2.94 114.38 116.70 2jha h ARG 112 Ca -0.15 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.41 2jha h ARG 112 Cb 1.85 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 29.99 2jha h ARG 112 CO 0.10 0.72 0.31 0.52 0.56 0.00 0.00 179.97 182.18 2jha h MET 113 N 0.87 0.92 -1.32 0.04 2.86 0.40 -3.18 114.93 115.52 2jha h MET 113 Ca 0.21 -0.12 0.43 0.00 -2.06 0.00 0.00 59.70 58.16 2jha h MET 113 Cb 0.15 -0.17 -0.10 0.00 0.06 0.00 0.00 31.60 31.54 2jha h MET 113 CO -0.02 0.71 0.89 0.54 1.06 0.00 0.00 176.91 180.09 2jha n ARG 114 N -4.35 -0.02 0.07 1.72 1.74 -1.03 -0.26 116.66 114.54 2jha n ARG 114 Ca 0.06 1.00 -0.09 0.00 -0.77 0.00 0.00 57.85 58.05 2jha n ARG 114 Cb 0.13 -2.08 0.02 0.00 -1.02 0.00 0.00 32.46 29.51 2jha n ARG 114 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2jha h LYS 115 N 0.00 0.32 -0.58 5.56 3.64 -1.74 -3.28 116.57 120.49 2jha h LYS 115 Ca 0.76 -0.29 0.07 0.00 -1.27 0.00 0.00 60.65 59.91 2jha h LYS 115 Cb 2.64 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 34.48 2jha h LYS 115 CO -0.26 0.95 0.28 0.78 -2.27 0.00 0.00 179.45 178.93 2jha h GLY 116 N 1.46 0.83 0.00 5.01 0.00 -0.85 -0.06 103.07 109.47 2jha h GLY 116 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2jha h GLY 116 CO 0.13 0.07 0.00 0.33 0.00 0.00 0.00 176.54 177.07 2jha n PHE 117 N -4.90 0.00 -0.21 5.60 7.35 -1.24 -1.76 117.46 122.31 2jha n PHE 117 Ca 0.07 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.95 2jha n PHE 117 Cb 0.20 0.00 0.33 0.00 0.35 0.00 0.00 39.48 40.36 2jha n PHE 117 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jha n GLY 118 N -0.61 -0.41 0.31 7.13 0.00 -1.18 -1.00 105.19 109.43 2jha n GLY 118 Ca 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 2jha n GLY 118 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jha h ASP 119 N 0.00 -0.61 -0.75 1.61 5.19 -0.62 -1.02 116.42 120.22 2jha h ASP 119 Ca 0.45 -0.05 0.17 0.00 -0.62 0.00 0.00 57.03 56.98 2jha h ASP 119 Cb 1.33 0.16 -0.13 0.00 0.18 0.00 0.00 39.33 40.87 2jha h ASP 119 CO -0.31 -0.22 0.06 0.00 -3.12 0.00 0.00 179.24 175.64 2jha h ALA 120 N -0.88 0.84 -0.34 3.45 0.00 -0.22 0.38 119.26 122.50 2jha h ALA 120 Ca -0.07 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jha h ALA 120 Cb 0.62 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jha h ALA 120 CO 0.12 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.24 2jha n LEU 121 N -5.30 0.00 -0.19 0.00 4.77 -1.01 -1.36 117.00 113.92 2jha n LEU 121 Ca 0.14 0.94 0.02 0.00 -0.03 0.00 0.00 56.01 57.08 2jha n LEU 121 Cb 0.48 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2jha n LEU 121 CO 0.07 -0.44 0.32 -1.14 -1.33 0.00 0.00 177.39 174.86 2jha n ARG 122 N -1.98 -0.07 0.21 3.23 0.63 -0.40 0.94 116.66 119.21 2jha n ARG 122 Ca 0.00 0.79 0.06 0.00 -0.92 0.00 0.00 57.85 57.77 2jha n ARG 122 Cb 0.00 -1.18 0.52 0.00 0.45 0.00 0.00 32.46 32.25 2jha n ARG 122 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2jha h ASN 123 N 0.00 0.06 -0.55 6.15 4.21 0.48 0.59 115.58 126.53 2jha h ASN 123 Ca 0.22 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.65 2jha h ASN 123 Cb 0.35 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.51 2jha h ASN 123 CO -0.52 0.17 0.08 0.22 -1.29 0.00 0.00 177.43 176.10 2jha h TYR 124 N 0.06 0.97 -0.04 1.19 3.20 0.18 -3.09 116.97 119.45 2jha h TYR 124 Ca 0.01 -0.14 -0.20 0.00 3.14 0.00 0.00 58.73 61.55 2jha h TYR 124 Cb 0.22 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 2jha h TYR 124 CO 0.00 0.86 -0.83 0.00 -1.64 0.00 0.00 178.16 176.56 2jha h ALA 125 N 0.99 0.50 0.00 1.82 0.00 -0.49 0.84 119.26 122.92 2jha h ALA 125 Ca 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jha h ALA 125 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jha h ALA 125 CO 0.01 0.80 0.00 1.19 0.00 0.00 0.00 179.25 181.25 2jha n PHE 126 N -3.78 0.65 1.14 0.00 0.99 -0.73 0.26 117.46 115.98 2jha n PHE 126 Ca -0.05 0.28 0.13 0.00 -0.00 0.00 0.00 57.45 57.80 2jha n PHE 126 Cb 0.77 -0.95 0.32 0.00 -1.00 0.00 0.00 39.48 38.62 2jha n PHE 126 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2jha n LYS 127 N -2.11 0.48 0.02 -1.08 4.76 0.21 -4.72 118.16 115.72 2jha n LYS 127 Ca 0.01 -0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 2jha n LYS 127 Cb 0.16 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2jha n LYS 127 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2jha n MET 128 N -1.01 0.00 -2.70 1.97 2.81 0.16 -5.08 117.12 113.27 2jha n MET 128 Ca 0.09 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.77 2jha n MET 128 Cb 0.34 -0.22 0.07 0.00 -0.71 0.00 0.00 33.22 32.71 2jha n MET 128 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jha s ALA 129 N -2.00 3.99 0.00 3.04 0.00 0.71 -4.97 121.76 122.53 2jha s ALA 129 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.30 2jha s ALA 129 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.20 2jha s ALA 129 CO 0.00 -1.05 0.00 -0.89 0.00 0.00 0.00 175.76 173.82 2jha n ILE 130 N -2.51 0.00 -2.88 0.00 -0.00 -0.66 -4.70 119.36 108.61 2jha n ILE 130 Ca 0.12 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.54 2jha n ILE 130 Cb 0.60 -1.03 -0.07 0.00 -0.00 0.00 0.00 39.64 39.14 2jha n ILE 130 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 2jha s GLU 131 N -1.96 4.23 -0.02 0.38 2.02 -0.52 -0.35 118.70 122.47 2jha s GLU 131 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.05 2jha s GLU 131 Cb 0.00 -2.32 0.03 0.00 0.10 0.00 0.00 34.13 31.94 2jha s GLU 131 CO 0.00 0.05 0.01 -0.06 0.02 0.00 0.00 175.26 175.28 2jha s PHE 132 N -2.06 0.21 -0.07 1.61 0.40 -0.60 -0.89 117.98 116.59 2jha s PHE 132 Ca 0.59 0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.98 2jha s PHE 132 Cb -0.11 -0.33 0.01 0.00 0.51 0.00 0.00 43.02 43.10 2jha s PHE 132 CO 0.15 -0.11 -0.15 -1.01 0.70 0.00 0.00 175.22 174.81 2jha s HIS 133 N 0.95 1.65 -0.19 0.36 3.76 -0.67 -0.26 115.29 120.90 2jha s HIS 133 Ca -0.09 -0.60 -0.00 0.00 -0.15 0.00 0.00 55.06 54.22 2jha s HIS 133 Cb -0.13 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.40 2jha s HIS 133 CO -0.02 -0.28 0.16 0.41 -0.85 0.00 0.00 174.74 174.16 2jha n GLY 134 N 3.65 0.43 3.94 -2.22 0.00 -1.09 -4.04 105.19 105.85 2jha n GLY 134 Ca -0.21 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 2jha n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jha s SER 135 N -3.16 4.62 0.35 1.61 0.01 -0.28 -4.75 113.70 112.10 2jha s SER 135 Ca 0.02 0.36 -0.12 0.00 1.31 0.00 0.00 55.95 57.52 2jha s SER 135 Cb -0.01 -0.93 0.03 0.00 0.21 0.00 0.00 66.02 65.32 2jha s SER 135 CO 0.11 -1.72 0.65 -1.61 0.41 0.00 0.00 173.24 171.08 2jha s GLU 136 N -5.29 2.03 0.46 12.44 2.02 -1.26 -4.74 118.70 124.35 2jha s GLU 136 Ca 0.62 -1.48 0.41 0.00 0.02 0.00 0.00 54.97 54.53 2jha s GLU 136 Cb -0.10 0.55 1.48 0.00 0.10 0.00 0.00 34.13 36.16 2jha s GLU 136 CO 0.45 -0.91 1.37 0.00 0.02 0.00 0.00 175.26 176.20 2jha n ALA 137 N -0.52 1.56 0.19 5.21 0.00 -1.26 -0.71 120.51 124.98 2jha n ALA 137 Ca -0.04 0.63 -0.08 0.00 0.00 0.00 0.00 53.44 53.94 2jha n ALA 137 Cb 0.61 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.03 2jha n ALA 137 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2jha h GLU 138 N 0.00 -0.53 -0.86 0.00 9.09 -1.98 0.40 114.58 120.70 2jha h GLU 138 Ca 0.82 0.04 0.20 0.00 0.05 0.00 0.00 59.36 60.47 2jha h GLU 138 Cb 3.13 0.12 -0.06 0.00 -1.65 0.00 0.00 28.75 30.29 2jha h GLU 138 CO -0.11 -0.35 0.58 1.15 0.05 0.00 0.00 179.01 180.33 2jha h THR 139 N -1.12 0.68 -0.47 -1.06 2.02 -1.32 0.56 112.91 112.20 2jha h THR 139 Ca -0.06 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 2jha h THR 139 Cb 0.42 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2jha h THR 139 CO 0.09 0.06 0.21 -0.07 0.37 0.00 0.00 175.52 176.18 2jha h LEU 140 N 0.32 0.62 -2.51 2.58 3.38 -1.08 -3.12 115.31 115.50 2jha h LEU 140 Ca 0.44 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.28 2jha h LEU 140 Cb 1.21 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2jha h LEU 140 CO -0.13 0.59 0.08 0.78 0.09 0.00 0.00 178.44 179.84 2jha h ASN 141 N 0.61 0.00 0.00 -0.43 2.35 0.24 -1.78 115.58 116.57 2jha h ASN 141 Ca 0.16 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 2jha h ASN 141 Cb 0.14 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.40 2jha h ASN 141 CO -0.02 0.00 -0.59 0.47 -1.65 0.00 0.00 177.43 175.64 2jha n ASP 142 N -3.58 1.46 -4.85 5.81 8.00 -1.15 -5.03 116.55 117.22 2jha n ASP 142 Ca -0.02 -3.11 -0.36 0.00 0.71 0.00 0.00 54.79 52.01 2jha n ASP 142 Cb 0.17 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.78 2jha n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jha s ALA 143 N -2.02 3.70 -0.65 2.24 0.00 -0.67 -5.03 121.76 119.33 2jha s ALA 143 Ca 0.33 -0.28 -0.22 0.00 0.00 0.00 0.00 51.96 51.79 2jha s ALA 143 Cb 0.34 -2.35 0.07 0.00 0.00 0.00 0.00 23.12 21.18 2jha s ALA 143 CO -0.08 0.51 0.94 1.21 0.00 0.00 0.00 175.76 178.35 2jha s ASN 144 N -1.40 6.17 0.47 0.00 2.47 -1.26 -4.90 114.94 116.49 2jha s ASN 144 Ca 0.28 -1.02 0.32 0.00 0.42 0.00 0.00 52.86 52.86 2jha s ASN 144 Cb -0.15 -2.41 1.48 0.00 -1.45 0.00 0.00 41.25 38.72 2jha s ASN 144 CO 0.16 -1.42 1.96 1.55 -3.72 0.00 0.00 177.10 175.63 2jha h PRO 145 N 9.54 0.00 -0.06 0.43 0.13 -1.88 0.54 132.00 140.69 2jha h PRO 145 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2jha h PRO 145 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jha h PRO 145 CO 1.18 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.49 2jha n ARG 146 N -2.76 1.16 0.00 0.86 1.74 -1.26 -4.42 116.66 111.98 2jha n ARG 146 Ca -0.00 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.83 2jha n ARG 146 Cb 0.20 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 2jha n ARG 146 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2jha n LEU 147 N -0.34 0.00 -4.80 0.55 7.94 0.15 -5.11 117.00 115.40 2jha n LEU 147 Ca 0.04 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.63 2jha n LEU 147 Cb 0.07 0.33 0.07 0.00 0.53 0.00 0.00 43.42 44.42 2jha n LEU 147 CO 0.03 -0.50 0.71 -1.00 -1.11 0.00 0.00 177.39 175.52 2jha s HIS 148 N -1.99 2.88 -0.26 1.96 3.76 0.68 -4.94 115.29 117.38 2jha s HIS 148 Ca 0.00 1.48 -0.01 0.00 -0.15 0.00 0.00 55.06 56.38 2jha s HIS 148 Cb 0.00 -2.95 0.08 0.00 1.11 0.00 0.00 32.58 30.81 2jha s HIS 148 CO 0.00 -1.47 0.04 0.15 -0.85 0.00 0.00 174.74 172.61 2jha s LYS 149 N -4.97 0.95 -0.35 1.40 -0.14 0.52 -4.71 119.74 112.44 2jha s LYS 149 Ca 0.59 -0.90 -0.13 0.00 -1.36 0.00 0.00 55.97 54.18 2jha s LYS 149 Cb -0.15 -2.23 -0.01 0.00 -1.68 0.00 0.00 37.83 33.76 2jha s LYS 149 CO 0.55 -0.79 0.23 0.42 -0.76 0.00 0.00 175.35 175.01 2jha s ILE 150 N 1.60 5.13 0.45 2.17 -1.09 -1.26 -1.56 121.20 126.64 2jha s ILE 150 Ca 0.03 -0.36 0.05 0.00 -2.23 0.00 0.00 60.65 58.14 2jha s ILE 150 Cb -0.18 -3.68 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 2jha s ILE 150 CO -0.15 -0.06 0.07 -0.31 -1.23 0.00 0.00 174.94 173.26 2jha s TYR 151 N 1.69 2.28 -5.00 3.97 1.51 0.64 -1.29 117.35 121.15 2jha s TYR 151 Ca 0.05 -0.75 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 2jha s TYR 151 Cb -0.18 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 2jha s TYR 151 CO 0.10 0.27 0.00 0.41 -1.11 0.00 0.00 175.55 175.22 2jha n GLY 152 N -1.16 -2.01 2.77 0.71 0.00 -0.92 -1.12 105.19 103.46 2jha n GLY 152 Ca -0.08 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 2jha n GLY 152 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jha s MET 153 N -1.92 1.88 0.51 1.61 -1.94 -1.25 -1.88 119.30 116.31 2jha s MET 153 Ca 0.00 -2.77 -0.16 0.00 -1.71 0.00 0.00 55.69 51.05 2jha s MET 153 Cb 0.00 -2.82 -0.07 0.00 2.01 0.00 0.00 34.83 33.95 2jha s MET 153 CO 0.00 -1.26 0.97 -1.25 -0.01 0.00 0.00 175.02 173.47 2jha s PRO 154 N -0.69 3.91 0.13 2.03 0.05 -1.26 -5.01 135.00 134.16 2jha s PRO 154 Ca 0.24 0.90 -0.31 0.00 0.05 0.00 0.00 61.00 61.88 2jha s PRO 154 Cb -0.09 -2.15 -0.09 0.00 0.05 0.00 0.00 34.50 32.22 2jha s PRO 154 CO -0.12 -0.27 1.43 -2.00 0.05 0.00 0.00 177.00 176.09 2jha s GLU 155 N -4.14 4.29 -0.01 4.56 2.12 -1.26 -4.95 118.70 119.32 2jha s GLU 155 Ca 0.58 2.15 -0.21 0.00 0.36 0.00 0.00 54.97 57.85 2jha s GLU 155 Cb -0.10 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 2jha s GLU 155 CO 0.33 -0.48 0.63 0.42 -0.54 0.00 0.00 175.26 175.62 2jha s ILE 156 N 1.09 4.90 0.89 -3.70 1.01 -1.26 -4.78 121.20 119.35 2jha s ILE 156 Ca 0.66 1.31 -0.11 0.00 0.00 0.00 0.00 60.65 62.51 2jha s ILE 156 Cb -0.39 -3.96 0.13 0.00 0.01 0.00 0.00 42.46 38.24 2jha s ILE 156 CO 0.31 0.39 1.09 -2.16 0.00 0.00 0.00 174.94 174.57 2jha s PRO 157 N -0.06 1.29 -0.00 2.79 0.04 -1.26 -4.98 135.00 132.81 2jha s PRO 157 Ca 0.33 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 2jha s PRO 157 Cb -0.18 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 2jha s PRO 157 CO 0.18 -2.27 1.85 -1.25 0.04 0.00 0.00 177.00 175.56 2jha s PRO 158 N -4.86 4.13 0.08 0.56 0.04 -1.26 -5.01 135.00 128.68 2jha s PRO 158 Ca 0.64 2.44 0.06 0.00 0.04 0.00 0.00 61.00 64.17 2jha s PRO 158 Cb -0.19 -4.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 2jha s PRO 158 CO 0.57 -0.94 -0.16 -0.51 0.04 0.00 0.00 177.00 176.00 2jha s LEU 159 N 4.38 2.27 -0.05 -3.56 1.43 -1.26 -4.55 118.68 117.33 2jha s LEU 159 Ca 0.83 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2jha s LEU 159 Cb -0.39 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 2jha s LEU 159 CO 0.37 -0.02 0.05 -0.47 0.23 0.00 0.00 176.35 176.51 2jha s TYR 160 N -1.18 3.27 0.00 0.29 5.04 -0.22 -4.67 117.35 119.87 2jha s TYR 160 Ca 0.01 0.24 0.00 0.00 -2.44 0.00 0.00 57.07 54.88 2jha s TYR 160 Cb -0.10 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.43 2jha s TYR 160 CO 0.03 0.54 0.00 0.00 -1.34 0.00 0.00 175.55 174.78 2jha n MET 161 N 1.70 0.00 -0.10 4.97 0.00 -1.26 -2.15 117.12 120.27 2jha n MET 161 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.48 2jha n MET 161 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.76 2jha n MET 161 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2jha h GLU 162 N 0.00 -0.09 0.00 3.17 4.57 -1.93 -3.43 114.58 116.86 2jha h GLU 162 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2jha h GLU 162 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2jha h GLU 162 CO 0.00 -0.06 0.00 0.66 -1.18 0.00 0.00 179.01 178.43 2jha n TYR 163 N -5.35 0.00 0.00 0.92 4.02 -1.26 -4.97 117.16 110.52 2jha n TYR 163 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2jha n TYR 163 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 2jha n TYR 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jha n ALA 164 N 1.38 0.90 0.00 -0.72 0.00 -1.26 -4.73 120.51 116.08 2jha n ALA 164 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jha n ALA 164 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jha n ALA 164 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jha n GLU 165 N -1.98 0.00 -0.20 0.00 2.13 -1.26 -4.78 120.64 114.56 2jha n GLU 165 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 2jha n GLU 165 Cb 0.00 -0.67 0.00 0.00 0.27 0.00 0.00 31.44 31.04 2jha n GLU 165 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2jha n ILE 166 N 0.00 0.00 0.00 6.31 -5.35 -1.26 -4.83 119.36 114.22 2jha n ILE 166 Ca 0.00 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2jha n ILE 166 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2jha n ILE 166 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jha n GLY 167 N 0.40 1.45 3.98 3.28 0.00 -1.26 -5.08 105.19 107.96 2jha n GLY 167 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 2jha n GLY 167 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jha s THR 168 N 0.00 2.68 0.43 2.61 -1.32 -1.26 -4.83 115.64 113.95 2jha s THR 168 Ca 0.00 -0.72 -0.23 0.00 -1.21 0.00 0.00 61.69 59.53 2jha s THR 168 Cb 0.00 -2.96 -0.08 0.00 -1.51 0.00 0.00 72.50 67.95 2jha s THR 168 CO 0.00 0.00 1.13 -0.60 -2.21 0.00 0.00 174.62 172.94 2jha s ARG 169 N -4.72 3.92 0.17 7.08 6.06 -1.26 -5.03 118.95 125.17 2jha s ARG 169 Ca 0.57 1.69 0.02 0.00 -2.50 0.00 0.00 55.73 55.52 2jha s ARG 169 Cb -0.10 -2.47 -0.05 0.00 0.06 0.00 0.00 34.95 32.39 2jha s ARG 169 CO 0.38 -0.39 -0.02 -0.59 -2.50 0.00 0.00 175.30 172.17 2jha s PHE 170 N -1.57 1.24 0.63 5.12 -0.12 -1.26 -5.15 117.98 116.86 2jha s PHE 170 Ca 0.61 -0.95 -0.18 0.00 -0.05 0.00 0.00 56.93 56.36 2jha s PHE 170 Cb -0.26 -0.70 -0.02 0.00 -0.63 0.00 0.00 43.02 41.41 2jha s PHE 170 CO 0.33 -0.13 1.21 -0.51 -0.05 0.00 0.00 175.22 176.06 2jha s ASP 171 N -3.18 4.92 0.35 1.98 1.01 -1.26 -5.04 116.67 115.45 2jha s ASP 171 Ca 0.22 2.37 -0.06 0.00 0.71 0.00 0.00 52.55 55.79 2jha s ASP 171 Cb 0.05 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.41 2jha s ASP 171 CO 0.03 -1.77 0.56 -0.67 0.21 0.00 0.00 175.17 173.53 2jha n ASP 172 N -1.92 -1.60 -3.83 0.27 -0.08 -1.26 -4.89 116.55 103.23 2jha n ASP 172 Ca 0.13 -2.74 -0.12 0.00 -1.51 0.00 0.00 54.79 50.56 2jha n ASP 172 Cb 0.50 2.85 -0.10 0.00 2.34 0.00 0.00 41.12 46.71 2jha n ASP 172 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2jha s GLU 173 N -2.55 0.50 0.38 -0.67 2.02 -1.26 -4.86 118.70 112.26 2jha s GLU 173 Ca 0.24 -0.26 -0.28 0.00 0.02 0.00 0.00 54.97 54.69 2jha s GLU 173 Cb -0.02 0.22 -0.11 0.00 0.10 0.00 0.00 34.13 34.31 2jha s GLU 173 CO 0.17 -0.12 1.48 -0.35 0.02 0.00 0.00 175.26 176.46 2jha n PRO 174 N 1.59 2.64 -4.31 0.39 -0.04 -1.13 0.26 135.00 134.41 2jha n PRO 174 Ca -0.21 0.93 -0.19 0.00 -0.04 0.00 0.00 63.50 63.98 2jha n PRO 174 Cb 0.56 -2.66 -0.08 0.00 -0.04 0.00 0.00 33.50 31.28 2jha n PRO 174 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jha s THR 175 N -1.12 0.11 0.17 0.52 2.01 -1.22 -4.67 115.64 111.42 2jha s THR 175 Ca 0.54 -2.00 -0.24 0.00 0.31 0.00 0.00 61.69 60.30 2jha s THR 175 Cb -0.48 -2.48 -0.14 0.00 0.01 0.00 0.00 72.50 69.41 2jha s THR 175 CO 0.64 0.00 0.44 0.47 -0.69 0.00 0.00 174.62 175.48 2jha n ASP 176 N -1.28 -1.04 -4.32 3.53 9.92 -1.26 -4.75 116.55 117.36 2jha n ASP 176 Ca 0.04 0.95 -0.35 0.00 -0.53 0.00 0.00 54.79 54.90 2jha n ASP 176 Cb 0.63 -0.80 0.08 0.00 -0.64 0.00 0.00 41.12 40.39 2jha n ASP 176 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2jha n GLU 177 N 0.85 -0.00 0.00 -1.24 0.28 -1.26 -4.29 120.64 114.98 2jha n GLU 177 Ca 0.15 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 2jha n GLU 177 Cb 0.21 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.50 2jha n GLU 177 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2jha n LYS 178 N -0.15 0.00 -0.24 3.44 4.81 -1.21 -0.83 118.16 123.98 2jha n LYS 178 Ca 0.06 0.26 0.03 0.00 -0.87 0.00 0.00 58.31 57.79 2jha n LYS 178 Cb 0.52 -0.66 0.13 0.00 0.02 0.00 0.00 35.03 35.04 2jha n LYS 178 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2jha h LEU 179 N 0.00 -0.36 0.16 3.14 3.38 -1.89 0.22 115.31 119.96 2jha h LEU 179 Ca 0.00 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2jha h LEU 179 Cb 0.00 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2jha h LEU 179 CO 0.00 -0.16 -0.18 1.62 0.09 0.00 0.00 178.44 179.81 2jha h VAL 180 N 0.10 0.60 0.00 1.22 3.04 -1.85 -2.11 116.25 117.25 2jha h VAL 180 Ca 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 2jha h VAL 180 Cb 0.63 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2jha h VAL 180 CO -0.62 0.00 0.04 -1.20 -1.01 0.00 0.00 177.57 174.78 2jha n SER 181 N -5.30 0.00 -0.00 3.17 7.64 0.72 -1.10 113.62 118.75 2jha n SER 181 Ca -0.08 0.35 -0.01 0.00 1.01 0.00 0.00 58.87 60.15 2jha n SER 181 Cb 0.22 -0.35 -0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2jha n SER 181 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2jha h MET 182 N 0.00 -0.05 -0.57 1.43 -1.53 -0.94 -3.23 114.93 110.04 2jha h MET 182 Ca 0.00 0.00 0.10 0.00 -3.44 0.00 0.00 59.70 56.36 2jha h MET 182 Cb 0.08 0.01 -0.10 0.00 -0.55 0.00 0.00 31.60 31.04 2jha h MET 182 CO 0.00 -0.03 -0.18 1.28 0.14 0.00 0.00 176.91 178.12 2jha n LEU 183 N -3.20 -0.28 -0.21 3.39 4.77 -0.54 -1.71 117.00 119.22 2jha n LEU 183 Ca -0.01 0.99 0.01 0.00 -0.03 0.00 0.00 56.01 56.98 2jha n LEU 183 Cb 0.02 -0.26 0.11 0.00 -2.33 0.00 0.00 43.42 40.96 2jha n LEU 183 CO 0.01 -0.92 0.85 0.44 -1.33 0.00 0.00 177.39 176.45 2jha h ASP 184 N 0.00 -0.22 0.63 -1.43 3.32 -1.14 -0.73 116.42 116.86 2jha h ASP 184 Ca 0.24 0.15 -0.21 0.00 0.02 0.00 0.00 57.03 57.23 2jha h ASP 184 Cb 0.38 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 2jha h ASP 184 CO -0.58 -0.10 -1.51 0.00 -1.72 0.00 0.00 179.24 175.33 2jha n TYR 185 N -5.25 1.00 -0.04 4.55 0.18 -0.74 -4.23 117.16 112.62 2jha n TYR 185 Ca 0.10 0.34 -0.16 0.00 1.88 0.00 0.00 57.90 60.06 2jha n TYR 185 Cb 0.36 -1.12 -0.07 0.00 -0.38 0.00 0.00 39.34 38.13 2jha n TYR 185 CO 0.00 0.00 0.00 0.97 -2.08 0.00 0.00 176.86 175.75 2jha h ILE 186 N 0.00 1.31 -2.30 -3.48 6.09 -1.02 -3.42 117.51 114.69 2jha h ILE 186 Ca -0.21 -1.81 -0.61 0.00 -1.37 0.00 0.00 64.86 60.87 2jha h ILE 186 Cb 1.73 1.93 -0.12 0.00 0.47 0.00 0.00 36.82 40.83 2jha h ILE 186 CO 0.06 0.57 0.88 -0.69 -3.07 0.00 0.00 178.15 175.90 2jha s VAL 187 N -3.88 4.15 0.00 2.19 1.01 -0.31 -4.66 120.40 118.91 2jha s VAL 187 Ca -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2jha s VAL 187 Cb 0.08 -4.82 0.00 0.00 0.00 0.00 0.00 36.38 31.64 2jha s VAL 187 CO 0.87 -1.65 0.00 0.00 0.00 0.00 0.00 175.10 174.31 2jha n TYR 188 N 8.18 0.00 -0.43 5.22 9.36 -1.26 -4.93 117.16 133.29 2jha n TYR 188 Ca 0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.30 2jha n TYR 188 Cb 0.48 0.05 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 2jha n TYR 188 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 2jha n SER 189 N -2.57 0.12 -4.74 2.98 3.41 -1.26 -4.83 113.62 106.72 2jha n SER 189 Ca 0.00 -0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 57.59 2jha n SER 189 Cb 0.40 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 2jha n SER 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jha s ALA 190 N -0.10 3.61 -0.20 7.33 0.00 -1.26 -4.83 121.76 126.31 2jha s ALA 190 Ca 0.00 1.25 0.20 0.00 0.00 0.00 0.00 51.96 53.41 2jha s ALA 190 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 2jha s ALA 190 CO 0.00 -0.67 1.02 0.93 0.00 0.00 0.00 175.76 177.03 2jha h GLU 191 N 5.50 0.00 -5.13 0.00 5.08 -1.08 -3.44 114.58 115.50 2jha h GLU 191 Ca -0.45 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.49 2jha h GLU 191 Cb 1.21 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.21 2jha h GLU 191 CO 0.80 0.14 -0.79 -2.00 -1.00 0.00 0.00 179.01 176.16 2jha s GLU 192 N -3.16 0.88 -0.15 2.33 2.12 -1.03 -0.12 118.70 119.57 2jha s GLU 192 Ca -0.01 -0.63 -0.04 0.00 0.36 0.00 0.00 54.97 54.65 2jha s GLU 192 Cb 0.09 -0.86 0.07 0.00 0.26 0.00 0.00 34.13 33.68 2jha s GLU 192 CO 0.79 0.22 0.16 0.08 -0.54 0.00 0.00 175.26 175.97 2jha s VAL 193 N -0.69 -0.23 -0.32 3.70 1.01 0.49 -0.71 120.40 123.64 2jha s VAL 193 Ca 0.02 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 2jha s VAL 193 Cb -0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2jha s VAL 193 CO 0.01 -0.09 0.36 -1.00 0.00 0.00 0.00 175.10 174.37 2jha s HIS 194 N 2.26 3.22 -0.29 5.22 3.76 0.21 -0.92 115.29 128.75 2jha s HIS 194 Ca 0.04 0.10 -0.05 0.00 -0.15 0.00 0.00 55.06 55.01 2jha s HIS 194 Cb -0.14 -2.63 0.02 0.00 1.11 0.00 0.00 32.58 30.94 2jha s HIS 194 CO -0.09 -0.36 0.04 -0.47 -0.85 0.00 0.00 174.74 173.00 2jha s TYR 195 N 2.03 3.15 -0.23 1.40 6.14 -0.04 -0.58 117.35 129.22 2jha s TYR 195 Ca 0.12 -1.29 -0.09 0.00 0.64 0.00 0.00 57.07 56.46 2jha s TYR 195 Cb -0.16 -2.19 -0.04 0.00 0.42 0.00 0.00 41.96 39.99 2jha s TYR 195 CO 0.11 -0.66 0.11 0.42 0.64 0.00 0.00 175.55 176.17 2jha s ILE 196 N 1.41 4.86 0.00 3.14 -1.09 0.18 0.13 121.20 129.84 2jha s ILE 196 Ca 0.01 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.43 2jha s ILE 196 Cb -0.18 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 2jha s ILE 196 CO 0.00 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 2jha n GLY 197 N 4.37 -1.34 0.11 6.18 0.00 0.98 -0.50 105.19 114.98 2jha n GLY 197 Ca -0.16 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.71 2jha n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jha n GLY 199 N 0.39 1.65 0.11 0.00 0.00 -1.26 -2.54 105.19 103.54 2jha n GLY 199 Ca 0.02 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.60 2jha n GLY 199 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jha h ASP 200 N 0.00 0.00 0.00 1.61 2.03 -1.98 -3.05 116.42 115.03 2jha h ASP 200 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2jha h ASP 200 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2jha h ASP 200 CO 0.00 0.46 0.00 0.18 -1.03 0.00 0.00 179.24 178.85 2jha n LEU 201 N -2.91 0.00 -0.29 0.15 4.77 -1.05 -4.61 117.00 113.05 2jha n LEU 201 Ca -0.06 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.00 2jha n LEU 201 Cb 0.77 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 42.06 2jha n LEU 201 CO 0.42 0.00 0.81 -0.09 -1.33 0.00 0.00 177.39 177.20 2jha h ARG 202 N 3.37 0.07 0.00 3.23 2.43 -1.94 0.42 114.38 121.96 2jha h ARG 202 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jha h ARG 202 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2jha h ARG 202 CO 0.00 0.05 0.00 2.41 -1.51 0.00 0.00 179.97 180.92 2jha n THR 203 N -5.41 0.00 0.07 0.20 -1.04 -1.26 -0.09 114.28 106.75 2jha n THR 203 Ca 0.17 0.27 0.13 0.00 -2.04 0.00 0.00 64.05 62.58 2jha n THR 203 Cb 0.57 -0.46 0.61 0.00 -1.82 0.00 0.00 70.33 69.23 2jha n THR 203 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2jha h LEU 204 N 0.00 0.11 -0.18 -4.42 5.85 -0.84 -1.81 115.31 114.02 2jha h LEU 204 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 2jha h LEU 204 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2jha h LEU 204 CO 0.00 0.07 -0.50 0.24 -0.34 0.00 0.00 178.44 177.91 2jha h MET 205 N 0.13 0.65 -0.09 1.25 2.86 0.17 -2.83 114.93 117.07 2jha h MET 205 Ca 0.17 -0.47 -0.05 0.00 -2.06 0.00 0.00 59.70 57.29 2jha h MET 205 Cb 0.51 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 2jha h MET 205 CO -0.02 1.09 -0.19 1.96 1.06 0.00 0.00 176.91 180.81 2jha h GLN 206 N 0.34 0.15 -0.73 1.72 1.08 0.34 -0.45 115.11 117.56 2jha h GLN 206 Ca -0.01 -0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.22 2jha h GLN 206 Cb 1.12 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.47 2jha h GLN 206 CO 0.11 0.34 0.42 0.35 -0.95 0.00 0.00 178.83 179.10 2jha h PHE 207 N 0.14 0.76 0.62 2.96 3.57 -1.20 0.17 116.94 123.97 2jha h PHE 207 Ca 0.03 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2jha h PHE 207 Cb 0.42 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.93 2jha h PHE 207 CO 0.00 0.36 -0.30 -0.22 -2.23 0.00 0.00 178.31 175.93 2jha h LYS 208 N 0.75 -0.81 0.00 1.11 3.64 -0.98 0.40 116.57 120.69 2jha h LYS 208 Ca 0.33 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2jha h LYS 208 Cb 0.21 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2jha h LYS 208 CO -0.19 -0.54 0.19 1.17 -2.27 0.00 0.00 179.45 177.81 2jha n LYS 209 N -5.10 0.03 -0.10 1.90 4.81 -0.31 -2.47 118.16 116.93 2jha n LYS 209 Ca -0.10 0.42 -0.14 0.00 -0.87 0.00 0.00 58.31 57.62 2jha n LYS 209 Cb 0.33 -1.79 -0.09 0.00 0.02 0.00 0.00 35.03 33.50 2jha n LYS 209 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2jha n ARG 210 N -1.59 0.47 -3.10 1.64 1.74 0.59 -4.90 116.66 111.52 2jha n ARG 210 Ca -0.00 0.12 -0.18 0.00 -0.77 0.00 0.00 57.85 57.02 2jha n ARG 210 Cb 0.19 -1.36 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 2jha n ARG 210 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2jha n SER 211 N -3.14 -0.02 0.17 0.55 3.41 0.14 -5.05 113.62 109.68 2jha n SER 211 Ca -0.34 -3.05 0.06 0.00 -0.26 0.00 0.00 58.87 55.28 2jha n SER 211 Cb 0.85 -0.11 0.52 0.00 -0.26 0.00 0.00 64.21 65.20 2jha n SER 211 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2jha h PRO 212 N 3.31 0.17 0.90 4.33 0.11 -1.73 -3.18 132.00 135.92 2jha h PRO 212 Ca 0.05 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 2jha h PRO 212 Cb 0.97 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.05 2jha h PRO 212 CO 0.43 0.19 -0.43 0.78 -0.21 0.00 0.00 178.00 178.75 2jha h GLY 213 N 0.36 -1.27 2.00 -0.55 0.00 -1.95 -0.10 103.07 101.56 2jha h GLY 213 Ca 0.04 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2jha h GLY 213 CO 0.00 -0.46 0.00 0.07 0.00 0.00 0.00 176.54 176.15 2jha h ARG 214 N -1.26 0.00 -0.24 4.80 0.11 -1.91 0.18 114.38 116.05 2jha h ARG 214 Ca -0.12 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.89 2jha h ARG 214 Cb 0.93 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.01 2jha h ARG 214 CO 0.20 0.00 -0.10 0.35 0.10 0.00 0.00 179.97 180.52 2jha h PHE 215 N 0.00 0.56 0.02 4.08 3.57 -1.49 -3.36 116.94 120.33 2jha h PHE 215 Ca 0.00 -0.14 -0.21 0.00 3.53 0.00 0.00 57.97 61.15 2jha h PHE 215 Cb 0.35 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2jha h PHE 215 CO 0.00 0.75 -0.95 -0.09 -2.23 0.00 0.00 178.31 175.79 2jha h ARG 216 N 0.22 0.15 -2.43 1.11 2.43 0.12 -3.17 114.38 112.81 2jha h ARG 216 Ca 0.06 -0.19 -0.62 0.00 -0.81 0.00 0.00 59.98 58.42 2jha h ARG 216 Cb 0.60 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 30.09 2jha h ARG 216 CO 0.03 0.99 1.76 0.54 -1.51 0.00 0.00 179.97 181.78 2jha n ARG 217 N -3.57 3.64 -3.68 0.20 1.74 -0.39 -4.84 116.66 109.76 2jha n ARG 217 Ca -0.03 -2.79 -0.14 0.00 -0.77 0.00 0.00 57.85 54.12 2jha n ARG 217 Cb 0.86 -2.46 -0.09 0.00 -1.02 0.00 0.00 32.46 29.76 2jha n ARG 217 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jha s VAL 218 N -0.92 0.00 -0.10 1.55 1.01 -1.20 -4.80 120.40 115.94 2jha s VAL 218 Ca 0.58 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.49 2jha s VAL 218 Cb 0.25 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 2jha s VAL 218 CO -0.12 -0.02 0.06 -0.22 0.00 0.00 0.00 175.10 174.80 2jha s LEU 219 N 0.07 3.94 -0.25 3.92 2.96 0.83 -4.89 118.68 125.26 2jha s LEU 219 Ca -0.02 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2jha s LEU 219 Cb -0.04 -1.93 0.07 0.00 0.50 0.00 0.00 46.19 44.80 2jha s LEU 219 CO 0.02 0.38 0.03 0.26 -1.32 0.00 0.00 176.35 175.72 2jha s TRP 220 N -0.90 1.85 -0.19 5.38 0.52 -0.85 0.18 118.94 124.94 2jha s TRP 220 Ca 0.14 -1.56 -0.12 0.00 0.02 0.00 0.00 56.10 54.58 2jha s TRP 220 Cb -0.12 -1.54 -0.05 0.00 -1.15 0.00 0.00 33.47 30.62 2jha s TRP 220 CO 0.03 -0.77 0.22 -1.01 0.02 0.00 0.00 176.95 175.44 2jha s HIS 221 N 1.57 3.41 -0.24 -1.98 3.76 -0.09 -1.28 115.29 120.44 2jha s HIS 221 Ca 0.02 0.44 0.00 0.00 -0.15 0.00 0.00 55.06 55.37 2jha s HIS 221 Cb -0.18 -2.28 0.06 0.00 1.11 0.00 0.00 32.58 31.30 2jha s HIS 221 CO -0.13 0.21 -0.03 0.14 -0.85 0.00 0.00 174.74 174.09 2jha s VAL 222 N 0.58 1.36 -0.27 -0.90 -7.23 -1.09 -0.86 120.40 111.98 2jha s VAL 222 Ca 0.12 -1.16 -0.13 0.00 -1.81 0.00 0.00 61.98 59.00 2jha s VAL 222 Cb -0.12 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 2jha s VAL 222 CO 0.02 -0.17 0.29 -0.31 -0.31 0.00 0.00 175.10 174.63 2jha s TYR 223 N 1.47 3.25 -0.30 2.82 1.51 0.12 -1.26 117.35 124.96 2jha s TYR 223 Ca -0.04 0.31 -0.17 0.00 -1.01 0.00 0.00 57.07 56.16 2jha s TYR 223 Cb -0.18 -2.48 0.19 0.00 -0.11 0.00 0.00 41.96 39.38 2jha s TYR 223 CO -0.08 -0.17 1.19 0.34 -1.11 0.00 0.00 175.55 175.72 2jha s ASP 224 N 1.59 -0.21 0.28 2.29 -1.08 0.21 -0.01 116.67 119.74 2jha s ASP 224 Ca 0.12 0.31 0.03 0.00 -0.52 0.00 0.00 52.55 52.49 2jha s ASP 224 Cb -0.16 1.17 0.73 0.00 -1.46 0.00 0.00 42.92 43.20 2jha s ASP 224 CO 0.10 -0.05 1.40 -2.65 0.52 0.00 0.00 175.17 174.49 2jha n PRO 225 N 3.97 -0.07 -0.18 4.34 -0.02 -1.14 -2.23 135.00 139.67 2jha n PRO 225 Ca -0.12 1.33 0.11 0.00 -2.02 0.00 0.00 63.50 62.79 2jha n PRO 225 Cb 0.56 -2.14 0.27 0.00 -0.02 0.00 0.00 33.50 32.17 2jha n PRO 225 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2jha n ILE 226 N -5.28 0.46 -2.42 4.25 -5.35 -1.26 -4.93 119.36 104.82 2jha n ILE 226 Ca 0.22 -0.61 -0.41 0.00 -0.27 0.00 0.00 62.75 61.68 2jha n ILE 226 Cb 0.73 0.62 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 2jha n ILE 226 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jha s ALA 227 N -1.54 3.41 1.01 -1.28 0.00 -0.94 -4.54 121.76 117.88 2jha s ALA 227 Ca 0.36 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 53.20 2jha s ALA 227 Cb 0.20 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.94 2jha s ALA 227 CO 0.28 -0.34 0.09 -0.35 0.00 0.00 0.00 175.76 175.44 2jha n PRO 228 N 2.68 -0.91 -2.18 0.00 -0.04 -1.26 -4.94 135.00 128.34 2jha n PRO 228 Ca 0.05 -0.14 -0.28 0.00 -0.04 0.00 0.00 63.50 63.09 2jha n PRO 228 Cb 0.45 -0.12 0.03 0.00 -0.04 0.00 0.00 33.50 33.83 2jha n PRO 228 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2jha s GLU 229 N -3.20 2.97 -0.17 0.54 2.02 -1.26 -4.98 118.70 114.63 2jha s GLU 229 Ca 0.05 0.23 -0.05 0.00 0.02 0.00 0.00 54.97 55.23 2jha s GLU 229 Cb -0.00 -2.17 0.08 0.00 0.10 0.00 0.00 34.13 32.14 2jha s GLU 229 CO 0.04 -0.79 0.29 0.00 0.02 0.00 0.00 175.26 174.82 2jha h SER 231 N 8.26 0.63 -2.31 0.00 4.64 -1.99 -3.43 113.55 119.35 2jha h SER 231 Ca -0.16 0.06 -0.55 0.00 -0.47 0.00 0.00 61.79 60.67 2jha h SER 231 Cb 1.13 -0.05 0.03 0.00 -0.31 0.00 0.00 62.40 63.19 2jha h SER 231 CO 0.18 0.25 1.15 0.47 -0.87 0.00 0.00 176.83 178.01 2jha n ASP 232 N -4.63 3.91 -0.84 4.97 10.43 -1.26 -4.86 116.55 124.27 2jha n ASP 232 Ca 0.21 0.95 0.02 0.00 2.57 0.00 0.00 54.79 58.54 2jha n ASP 232 Cb 0.60 -1.49 0.11 0.00 1.84 0.00 0.00 41.12 42.19 2jha n ASP 232 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 2jha n PRO 233 N 6.57 2.05 -0.45 -0.24 -0.05 -1.26 -2.66 135.00 138.95 2jha n PRO 233 Ca 0.20 -0.89 0.07 0.00 -0.05 0.00 0.00 63.50 62.83 2jha n PRO 233 Cb 0.36 -1.65 0.19 0.00 -0.05 0.00 0.00 33.50 32.36 2jha n PRO 233 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 2jha n ASN 234 N 0.17 1.90 -3.38 3.54 6.94 -1.26 -4.86 115.26 118.32 2jha n ASN 234 Ca 0.08 -3.68 -0.26 0.00 -0.02 0.00 0.00 54.58 50.70 2jha n ASN 234 Cb 0.48 -0.50 -0.09 0.00 -2.36 0.00 0.00 39.78 37.30 2jha n ASN 234 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2jha n VAL 235 N -1.21 -0.91 -2.52 3.53 0.31 -1.09 -2.02 118.33 114.43 2jha n VAL 235 Ca 0.18 -3.65 -0.43 0.00 -0.01 0.00 0.00 64.34 60.43 2jha n VAL 235 Cb 0.68 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.84 2jha n VAL 235 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2jha s ILE 236 N -0.32 4.22 -0.19 2.52 1.01 -0.41 -4.84 121.20 123.19 2jha s ILE 236 Ca 0.33 1.33 -0.17 0.00 0.00 0.00 0.00 60.65 62.14 2jha s ILE 236 Cb 0.06 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2jha s ILE 236 CO -0.18 -0.68 0.46 -0.69 0.00 0.00 0.00 174.94 173.85 2jha s VAL 237 N 4.37 5.16 -0.20 2.92 1.01 -1.26 -2.68 120.40 129.72 2jha s VAL 237 Ca 0.52 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 2jha s VAL 237 Cb -0.12 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 2jha s VAL 237 CO 0.25 0.23 -0.09 -1.00 0.00 0.00 0.00 175.10 174.49 2jha s HIS 238 N 1.33 2.90 -2.65 5.22 3.76 -0.38 -4.95 115.29 120.52 2jha s HIS 238 Ca 0.22 -1.06 0.24 0.00 -0.15 0.00 0.00 55.06 54.31 2jha s HIS 238 Cb -0.15 -2.03 0.55 0.00 1.11 0.00 0.00 32.58 32.06 2jha s HIS 238 CO 0.09 -0.57 1.46 0.09 -0.85 0.00 0.00 174.74 174.96 2jha n ASN 239 N 4.59 2.51 -4.78 1.40 4.13 -1.26 0.64 115.26 122.49 2jha n ASN 239 Ca -0.19 -1.83 -0.35 0.00 1.68 0.00 0.00 54.58 53.90 2jha n ASN 239 Cb 0.51 -0.07 -0.01 0.00 -1.54 0.00 0.00 39.78 38.67 2jha n ASN 239 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2jha s ILE 240 N -1.86 3.40 0.20 2.41 1.09 -1.26 -2.91 121.20 122.27 2jha s ILE 240 Ca 0.34 0.87 0.00 0.00 -1.10 0.00 0.00 60.65 60.76 2jha s ILE 240 Cb 0.20 -3.35 -0.04 0.00 -1.06 0.00 0.00 42.46 38.21 2jha s ILE 240 CO 0.31 -0.19 0.38 -0.32 -0.10 0.00 0.00 174.94 175.02 2jha s MET 241 N -3.26 3.50 -0.24 2.79 1.75 -1.26 -3.51 119.30 119.07 2jha s MET 241 Ca 0.71 -0.40 -0.00 0.00 -1.25 0.00 0.00 55.69 54.74 2jha s MET 241 Cb -0.21 -2.85 0.03 0.00 2.84 0.00 0.00 34.83 34.64 2jha s MET 241 CO 0.24 0.41 -0.10 0.08 -0.65 0.00 0.00 175.02 175.00 2jha s VAL 242 N -1.88 2.55 -0.14 10.11 1.01 -1.26 -4.89 120.40 125.90 2jha s VAL 242 Ca 0.38 -1.15 0.05 0.00 0.00 0.00 0.00 61.98 61.26 2jha s VAL 242 Cb -0.11 -2.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.90 2jha s VAL 242 CO 0.29 0.21 0.18 -0.90 0.00 0.00 0.00 175.10 174.88 2jha n ASP 243 N 4.60 1.79 -3.85 3.32 5.75 -1.26 -5.05 116.55 121.86 2jha n ASP 243 Ca -0.17 -0.35 -0.20 0.00 -0.01 0.00 0.00 54.79 54.06 2jha n ASP 243 Cb 0.46 1.11 -0.09 0.00 -1.03 0.00 0.00 41.12 41.58 2jha n ASP 243 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2jha s SER 244 N -2.01 1.86 0.14 -1.12 0.15 -1.26 -5.03 113.70 106.44 2jha s SER 244 Ca 0.00 -1.64 0.26 0.00 0.70 0.00 0.00 55.95 55.27 2jha s SER 244 Cb 0.04 0.46 0.65 0.00 -1.71 0.00 0.00 66.02 65.46 2jha s SER 244 CO 0.22 -0.95 1.59 2.29 1.20 0.00 0.00 173.24 177.60 2jha n LYS 245 N -0.67 0.23 0.27 5.44 2.85 -1.26 -3.58 118.16 121.44 2jha n LYS 245 Ca 0.01 0.13 0.17 0.00 -1.05 0.00 0.00 58.31 57.57 2jha n LYS 245 Cb 0.64 -1.71 0.69 0.00 -0.65 0.00 0.00 35.03 34.00 2jha n LYS 245 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2jha h LYS 246 N 0.00 0.00 0.00 -1.58 1.57 -1.99 0.31 116.57 114.88 2jha h LYS 246 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jha h LYS 246 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 2jha h LYS 246 CO 0.00 0.00 -0.00 -0.44 -0.57 0.00 0.00 179.45 178.44 2jha h ASP 247 N 0.00 0.00 0.00 0.86 3.32 -1.97 -3.34 116.42 115.29 2jha h ASP 247 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 2jha h ASP 247 Cb 0.48 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 2jha h ASP 247 CO 0.00 0.00 -2.08 -0.38 -1.72 0.00 0.00 179.24 175.06 2jha n ILE 248 N -3.10 1.08 0.12 0.35 5.41 -0.66 -4.71 119.36 117.85 2jha n ILE 248 Ca 0.03 -0.61 -0.13 0.00 1.00 0.00 0.00 62.75 63.04 2jha n ILE 248 Cb 0.46 -0.72 -0.08 0.00 -0.71 0.00 0.00 39.64 38.59 2jha n ILE 248 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jha h LEU 249 N 0.00 -0.20 -0.52 1.39 -0.00 -1.11 -2.67 115.31 112.20 2jha h LEU 249 Ca -0.43 -0.07 0.02 0.00 -0.00 0.00 0.00 57.88 57.41 2jha h LEU 249 Cb 1.90 0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 42.61 2jha h LEU 249 CO 0.00 -0.05 0.87 0.07 -0.00 0.00 0.00 178.44 179.33 2jha h LYS 250 N -0.33 0.00 -2.14 1.13 2.10 -1.83 -2.78 116.57 112.72 2jha h LYS 250 Ca -0.02 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.00 2jha h LYS 250 Cb 0.26 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 31.19 2jha h LYS 250 CO 0.04 0.00 -0.38 0.72 -2.00 0.00 0.00 179.45 177.83 2jha n HIS 251 N -2.66 3.75 -3.76 0.07 8.25 -1.00 -4.98 115.22 114.88 2jha n HIS 251 Ca 0.01 -3.60 -0.13 0.00 -0.26 0.00 0.00 57.72 53.74 2jha n HIS 251 Cb 0.91 -0.53 -0.09 0.00 1.12 0.00 0.00 29.99 31.39 2jha n HIS 251 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2jha s MET 252 N -3.62 0.61 -0.48 -0.41 -1.94 -1.05 -5.07 119.30 107.35 2jha s MET 252 Ca 0.48 -0.09 -0.15 0.00 -1.71 0.00 0.00 55.69 54.21 2jha s MET 252 Cb 0.29 0.27 0.08 0.00 2.01 0.00 0.00 34.83 37.49 2jha s MET 252 CO -0.16 -0.16 0.40 1.21 -0.01 0.00 0.00 175.02 176.31 2jha s ASN 253 N -1.08 6.13 0.32 3.03 2.47 -1.26 -4.94 114.94 119.61 2jha s ASN 253 Ca -0.11 -1.38 0.17 0.00 0.42 0.00 0.00 52.86 51.96 2jha s ASN 253 Cb -0.05 -2.18 0.38 0.00 -1.45 0.00 0.00 41.25 37.95 2jha s ASN 253 CO 0.03 -0.66 1.59 -0.26 -3.72 0.00 0.00 177.10 174.08 2jha h PHE 254 N 8.75 0.00 0.00 0.43 -1.00 -2.00 -3.14 116.94 119.99 2jha h PHE 254 Ca -0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.50 2jha h PHE 254 Cb 1.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.67 2jha h PHE 254 CO 0.64 0.47 0.00 1.28 -1.61 0.00 0.00 178.31 179.09 2jha n LEU 255 N -3.40 0.25 -3.81 1.54 4.77 -1.26 -4.53 117.00 110.56 2jha n LEU 255 Ca 0.01 0.61 -0.19 0.00 -0.03 0.00 0.00 56.01 56.40 2jha n LEU 255 Cb 0.63 -0.64 -0.17 0.00 -2.33 0.00 0.00 43.42 40.91 2jha n LEU 255 CO 0.39 -0.67 -0.38 -0.75 -1.33 0.00 0.00 177.39 174.65 2jha s LYS 256 N -3.23 0.46 -0.37 3.23 2.20 -1.19 -5.11 119.74 115.73 2jha s LYS 256 Ca -0.01 0.06 -0.29 0.00 -0.36 0.00 0.00 55.97 55.38 2jha s LYS 256 Cb 0.03 -0.68 0.00 0.00 -1.51 0.00 0.00 37.83 35.68 2jha s LYS 256 CO 0.10 -0.18 1.42 0.50 -0.36 0.00 0.00 175.35 176.83 2jha s ARG 257 N 1.30 3.66 0.11 4.03 3.52 -1.26 -4.86 118.95 125.44 2jha s ARG 257 Ca -0.06 1.08 0.04 0.00 -0.13 0.00 0.00 55.73 56.66 2jha s ARG 257 Cb -0.13 -4.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.22 2jha s ARG 257 CO -0.02 -1.45 -0.10 0.14 -0.81 0.00 0.00 175.30 173.06 2jha s VAL 258 N 5.22 0.98 -0.25 7.11 -7.23 -1.26 -5.12 120.40 119.85 2jha s VAL 258 Ca 0.61 -1.80 -0.25 0.00 -1.81 0.00 0.00 61.98 58.73 2jha s VAL 258 Cb -0.15 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.24 2jha s VAL 258 CO 0.30 -0.65 0.86 -0.70 -0.31 0.00 0.00 175.10 174.59 2jha s GLU 259 N -3.20 4.15 -0.07 4.82 2.12 -1.26 -4.63 118.70 120.63 2jha s GLU 259 Ca 0.10 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.37 2jha s GLU 259 Cb -0.00 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 2jha s GLU 259 CO -0.00 -0.57 -0.05 1.03 -0.54 0.00 0.00 175.26 175.12 2jha s ARG 260 N 2.93 2.79 -0.07 4.30 0.52 -1.26 -0.47 118.95 127.70 2jha s ARG 260 Ca 0.36 -0.52 0.05 0.00 -0.52 0.00 0.00 55.73 55.10 2jha s ARG 260 Cb -0.15 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.68 2jha s ARG 260 CO 0.08 0.67 -0.24 -1.17 0.02 0.00 0.00 175.30 174.67 2jha s LEU 261 N -0.86 2.13 -0.31 2.53 2.96 0.11 -2.06 118.68 123.17 2jha s LEU 261 Ca 0.13 -0.50 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 2jha s LEU 261 Cb -0.11 -1.40 0.03 0.00 0.50 0.00 0.00 46.19 45.21 2jha s LEU 261 CO 0.02 0.23 0.07 0.12 -1.32 0.00 0.00 176.35 175.46 2jha s PHE 262 N -0.04 3.21 -0.20 5.38 5.36 -0.43 -0.62 117.98 130.64 2jha s PHE 262 Ca -0.07 -1.38 -0.01 0.00 -0.96 0.00 0.00 56.93 54.51 2jha s PHE 262 Cb -0.15 -2.23 0.01 0.00 -0.34 0.00 0.00 43.02 40.32 2jha s PHE 262 CO 0.05 -0.70 -0.13 0.42 -1.46 0.00 0.00 175.22 173.40 2jha s ILE 263 N 1.40 2.61 -0.16 3.12 1.01 0.26 0.12 121.20 129.56 2jha s ILE 263 Ca -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2jha s ILE 263 Cb -0.19 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.14 2jha s ILE 263 CO 0.02 0.46 -0.21 0.86 0.00 0.00 0.00 174.94 176.07 2jha s TRP 264 N 1.36 2.73 -0.41 3.97 -0.11 -1.10 0.50 118.94 125.89 2jha s TRP 264 Ca 0.05 -1.52 0.04 0.00 1.22 0.00 0.00 56.10 55.89 2jha s TRP 264 Cb -0.14 -1.87 0.16 0.00 -1.50 0.00 0.00 33.47 30.12 2jha s TRP 264 CO -0.09 -0.72 0.39 0.34 -4.62 0.00 0.00 176.95 172.25 2jha s ASP 265 N 1.08 1.13 -0.04 5.86 2.15 0.34 -0.41 116.67 126.79 2jha s ASP 265 Ca -0.00 -2.31 0.00 0.00 0.43 0.00 0.00 52.55 50.67 2jha s ASP 265 Cb -0.14 0.22 0.03 0.00 -0.30 0.00 0.00 42.92 42.72 2jha s ASP 265 CO -0.08 -0.20 -0.00 -0.69 -0.17 0.00 0.00 175.17 174.03 2jha s VAL 266 N 0.73 0.22 -0.07 1.11 1.01 -1.26 -4.27 120.40 117.88 2jha s VAL 266 Ca 0.26 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 2jha s VAL 266 Cb -0.06 -0.33 0.04 0.00 0.00 0.00 0.00 36.38 36.03 2jha s VAL 266 CO -0.09 0.17 0.43 -0.94 0.00 0.00 0.00 175.10 174.67 2jha s SER 267 N 1.19 -0.38 0.00 3.32 1.04 -1.26 -4.72 113.70 112.89 2jha s SER 267 Ca -0.07 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2jha s SER 267 Cb -0.13 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2jha s SER 267 CO -0.02 -0.40 0.00 -1.20 0.98 0.00 0.00 173.24 172.60 2jha n SER 268 N 1.62 0.00 -2.68 7.02 7.64 -1.26 -5.18 113.62 120.79 2jha n SER 268 Ca -0.19 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.61 2jha n SER 268 Cb 0.56 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.83 2jha n SER 268 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jha n ASP 269 N 0.00 0.10 -3.37 6.43 8.00 -1.26 -5.21 116.55 121.24 2jha n ASP 269 Ca 0.00 -2.60 -0.18 0.00 0.71 0.00 0.00 54.79 52.72 2jha n ASP 269 Cb 0.00 0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.11 2jha n ASP 269 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2jha s GLU 277 N -1.79 0.59 0.29 -1.24 -6.30 -1.26 -5.25 118.70 103.75 2jha s GLU 277 Ca 0.25 -0.81 0.05 0.00 -2.50 0.00 0.00 54.97 51.96 2jha s GLU 277 Cb 0.44 -0.76 -0.02 0.00 0.00 0.00 0.00 34.13 33.78 2jha s GLU 277 CO -0.01 -1.18 0.19 -2.67 0.02 0.00 0.00 175.26 171.61 2jha n TRP 278 N 4.35 -0.36 -3.37 5.30 -0.00 -1.26 -5.14 117.44 116.96 2jha n TRP 278 Ca 0.10 -2.22 -0.26 0.00 -0.00 0.00 0.00 57.50 55.12 2jha n TRP 278 Cb 0.45 0.15 -0.08 0.00 -0.00 0.00 0.00 31.31 31.82 2jha n TRP 278 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 2jha n GLU 279 N -0.60 1.63 -0.34 -2.67 1.02 -1.26 -4.64 120.64 113.78 2jha n GLU 279 Ca 0.02 -4.01 -0.04 0.00 -0.02 0.00 0.00 57.16 53.12 2jha n GLU 279 Cb 0.49 -1.82 0.09 0.00 -0.02 0.00 0.00 31.44 30.18 2jha n GLU 279 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2jha h THR 280 N 2.93 1.26 -0.22 2.62 1.35 -2.00 -3.26 112.91 115.58 2jha h THR 280 Ca 0.15 -0.61 0.02 0.00 -0.55 0.00 0.00 66.41 65.43 2jha h THR 280 Cb 0.77 0.01 -0.03 0.00 -1.73 0.00 0.00 68.15 67.17 2jha h THR 280 CO 0.65 0.28 -0.13 0.41 -0.25 0.00 0.00 175.52 176.48 2jha n THR 281 N -4.35 -0.15 -0.23 6.82 -1.04 -1.26 0.98 114.28 115.04 2jha n THR 281 Ca 0.10 1.43 0.14 0.00 -2.04 0.00 0.00 64.05 63.68 2jha n THR 281 Cb 0.08 -1.85 0.27 0.00 -1.82 0.00 0.00 70.33 67.01 2jha n THR 281 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2jha n ARG 282 N -3.41 -0.05 0.00 -2.82 1.74 -1.23 -1.98 116.66 108.91 2jha n ARG 282 Ca 0.00 1.01 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 2jha n ARG 282 Cb 0.06 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 2jha n ARG 282 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2jha n PHE 283 N -4.81 0.00 0.00 -1.55 7.35 0.28 -3.03 117.46 115.70 2jha n PHE 283 Ca 0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 2jha n PHE 283 Cb 0.65 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 40.12 2jha n PHE 283 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jha n ALA 284 N -1.61 1.25 -0.07 3.13 0.00 -0.31 0.71 120.51 123.62 2jha n ALA 284 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2jha n ALA 284 Cb 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 2jha n ALA 284 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jha h GLU 285 N 0.00 0.00 -0.36 0.00 5.08 -1.41 -3.27 114.58 114.63 2jha h GLU 285 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2jha h GLU 285 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2jha h GLU 285 CO 0.00 0.24 0.03 -0.44 -1.00 0.00 0.00 179.01 177.83 2jha h ASP 286 N -1.00 -0.09 -0.76 1.42 3.32 0.38 0.13 116.42 119.82 2jha h ASP 286 Ca -0.06 0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.15 2jha h ASP 286 Cb 0.58 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.18 2jha h ASP 286 CO -0.04 -0.01 0.41 0.03 -1.72 0.00 0.00 179.24 177.92 2jha h ARG 287 N 0.13 0.68 0.41 3.56 2.47 -1.46 -0.74 114.38 119.43 2jha h ARG 287 Ca 0.17 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.83 2jha h ARG 287 Cb 0.23 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2jha h ARG 287 CO -0.27 0.45 -0.20 1.25 0.56 0.00 0.00 179.97 181.77 2jha h LEU 288 N 0.70 -0.47 -0.67 3.04 5.85 -1.54 0.62 115.31 122.84 2jha h LEU 288 Ca 0.37 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.09 2jha h LEU 288 Cb 0.35 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.41 2jha h LEU 288 CO -0.25 -0.20 -0.34 0.61 -0.34 0.00 0.00 178.44 177.93 2jha n GLY 289 N -0.83 -1.58 0.45 3.75 0.00 0.43 -0.44 105.19 106.97 2jha n GLY 289 Ca -0.11 0.78 -0.19 0.00 0.00 0.00 0.00 46.02 46.50 2jha n GLY 289 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jha h GLU 290 N 0.00 -1.07 -0.84 1.61 5.08 -0.99 -2.96 114.58 115.41 2jha h GLU 290 Ca 0.16 0.07 0.21 0.00 -1.00 0.00 0.00 59.36 58.81 2jha h GLU 290 Cb 0.33 0.24 -0.14 0.00 0.50 0.00 0.00 28.75 29.68 2jha h GLU 290 CO -0.65 -0.71 0.12 0.93 -1.00 0.00 0.00 179.01 177.70 2jha h GLU 291 N -1.11 0.14 -0.37 2.33 5.08 0.12 0.69 114.58 121.46 2jha h GLU 291 Ca -0.11 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2jha h GLU 291 Cb 0.86 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2jha h GLU 291 CO 0.17 0.10 0.10 0.82 -1.00 0.00 0.00 179.01 179.19 2jha h ILE 292 N 0.15 1.22 0.08 3.13 2.04 -0.76 -0.10 117.51 123.27 2jha h ILE 292 Ca 0.50 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.65 2jha h ILE 292 Cb 0.97 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 2jha h ILE 292 CO -0.69 0.25 -0.31 0.00 0.00 0.00 0.00 178.15 177.41 2jha h ALA 293 N 0.95 -0.49 -0.99 1.87 0.00 -1.13 -2.65 119.26 116.81 2jha h ALA 293 Ca 0.12 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.09 2jha h ALA 293 Cb 0.28 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 2jha h ALA 293 CO -0.00 -0.84 0.63 -0.92 0.00 0.00 0.00 179.25 178.13 2jha h TYR 294 N -0.50 1.15 -0.17 0.00 3.20 0.17 0.96 116.97 121.77 2jha h TYR 294 Ca 0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2jha h TYR 294 Cb 0.55 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2jha h TYR 294 CO -0.29 0.52 0.00 0.93 -1.64 0.00 0.00 178.16 177.68 2jha h GLU 295 N 1.06 0.24 -0.65 1.82 5.08 -0.97 -1.91 114.58 119.25 2jha h GLU 295 Ca 0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2jha h GLU 295 Cb 0.35 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2jha h GLU 295 CO -0.22 0.27 0.00 -1.33 -1.00 0.00 0.00 179.01 176.73 2jha n MET 296 N -4.40 3.51 -1.62 2.33 2.81 0.31 -4.78 117.12 115.28 2jha n MET 296 Ca -0.00 -2.61 -0.43 0.00 -1.81 0.00 0.00 57.70 52.85 2jha n MET 296 Cb 0.17 -1.85 -0.03 0.00 -0.71 0.00 0.00 33.22 30.80 2jha n MET 296 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2jha s GLY 297 N -0.85 0.69 0.00 3.03 0.00 0.20 -1.84 107.32 108.55 2jha s GLY 297 Ca 0.47 0.88 0.00 0.00 0.00 0.00 0.00 44.72 46.07 2jha s GLY 297 CO 0.22 3.74 0.00 0.61 0.00 0.00 0.00 173.10 177.67 2jha n GLY 298 N 5.52 1.10 0.23 0.20 0.00 -0.16 -4.95 105.19 107.14 2jha n GLY 298 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.30 2jha n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jha n ALA 299 N 0.00 2.22 -2.40 4.61 0.00 -0.77 -4.60 120.51 119.57 2jha n ALA 299 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 2jha n ALA 299 Cb 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 2jha n ALA 299 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jha s PHE 300 N -2.01 3.46 -0.16 0.00 0.40 -1.18 -4.00 117.98 114.49 2jha s PHE 300 Ca -0.00 0.91 0.17 0.00 -0.60 0.00 0.00 56.93 57.41 2jha s PHE 300 Cb 0.00 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 2jha s PHE 300 CO 0.01 0.30 1.16 0.66 0.70 0.00 0.00 175.22 178.05 2jha h SER 301 N 2.75 0.00 -5.12 1.36 4.64 -1.61 -3.33 113.55 112.24 2jha h SER 301 Ca -0.47 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.78 2jha h SER 301 Cb 1.17 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.13 2jha h SER 301 CO 0.68 0.46 -0.19 -0.94 -0.87 0.00 0.00 176.83 175.97 2jha s SER 302 N -6.06 -0.09 -0.12 4.97 1.04 -1.25 -0.17 113.70 112.02 2jha s SER 302 Ca 0.01 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 2jha s SER 302 Cb 0.08 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.69 2jha s SER 302 CO 0.77 -0.83 0.22 0.00 0.98 0.00 0.00 173.24 174.38 2jha s ALA 303 N -3.84 -0.37 -0.95 5.32 0.00 0.28 -1.31 121.76 120.88 2jha s ALA 303 Ca 0.05 0.72 -0.03 0.00 0.00 0.00 0.00 51.96 52.70 2jha s ALA 303 Cb 0.03 -0.97 0.24 0.00 0.00 0.00 0.00 23.12 22.42 2jha s ALA 303 CO -0.10 -0.66 0.92 -0.11 0.00 0.00 0.00 175.76 175.80 2jha n LEU 304 N 5.34 4.66 -4.75 0.00 7.94 0.12 -1.00 117.00 129.31 2jha n LEU 304 Ca -0.05 -5.14 -0.40 0.00 -1.11 0.00 0.00 56.01 49.31 2jha n LEU 304 Cb 0.50 -1.17 -0.05 0.00 0.53 0.00 0.00 43.42 43.22 2jha n LEU 304 CO 0.04 1.56 0.49 -0.63 -1.11 0.00 0.00 177.39 177.73 2jha s ILE 305 N -1.55 4.64 0.75 1.96 -1.09 -0.69 -2.70 121.20 122.52 2jha s ILE 305 Ca 0.29 1.69 -0.14 0.00 -2.23 0.00 0.00 60.65 60.26 2jha s ILE 305 Cb -0.05 -4.14 0.05 0.00 -1.58 0.00 0.00 42.46 36.73 2jha s ILE 305 CO -0.09 0.39 1.19 -0.75 -1.23 0.00 0.00 174.94 174.45 2jha s LYS 306 N -0.26 2.06 -0.49 2.79 2.20 0.45 -0.26 119.74 126.23 2jha s LYS 306 Ca 0.39 1.70 0.05 0.00 -0.36 0.00 0.00 55.97 57.74 2jha s LYS 306 Cb -0.21 -1.83 0.20 0.00 -1.51 0.00 0.00 37.83 34.48 2jha s LYS 306 CO 0.24 -1.88 0.81 1.58 -0.36 0.00 0.00 175.35 175.74 2jha n HIS 307 N -2.89 -3.24 -2.16 4.03 -0.00 -0.89 -4.67 115.22 105.40 2jha n HIS 307 Ca 0.13 -1.27 -0.38 0.00 0.46 0.00 0.00 57.72 56.66 2jha n HIS 307 Cb 0.51 1.42 -0.00 0.00 -0.12 0.00 0.00 29.99 31.80 2jha n HIS 307 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2jha s ARG 308 N 0.86 3.80 -0.38 1.57 3.03 -1.26 -2.37 118.95 124.21 2jha s ARG 308 Ca 0.29 1.94 -0.18 0.00 2.03 0.00 0.00 55.73 59.81 2jha s ARG 308 Cb 0.04 -2.54 0.00 0.00 -1.03 0.00 0.00 34.95 31.43 2jha s ARG 308 CO -0.08 -0.56 0.48 0.42 -1.13 0.00 0.00 175.30 174.44 2jha s ILE 309 N -1.41 5.04 0.86 4.99 1.01 -1.07 -4.95 121.20 125.66 2jha s ILE 309 Ca 0.61 0.09 -0.12 0.00 0.00 0.00 0.00 60.65 61.23 2jha s ILE 309 Cb -0.33 -3.99 0.10 0.00 0.01 0.00 0.00 42.46 38.25 2jha s ILE 309 CO 0.41 -0.29 1.06 -0.81 0.00 0.00 0.00 174.94 175.30 2jha n PRO 310 N 5.71 -0.12 -0.08 2.79 -0.04 -1.26 -4.98 135.00 137.02 2jha n PRO 310 Ca -0.06 0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.28 2jha n PRO 310 Cb 0.48 -2.32 -0.12 0.00 -0.04 0.00 0.00 33.50 31.51 2jha n PRO 310 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2jha h ASN 311 N -1.34 0.00 0.18 3.54 4.21 -1.97 -3.41 115.58 116.79 2jha h ASN 311 Ca -0.45 -0.75 0.00 0.00 1.21 0.00 0.00 56.30 56.31 2jha h ASN 311 Cb 1.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 2jha h ASN 311 CO 0.43 1.16 -0.08 -1.20 -1.29 0.00 0.00 177.43 176.44 2jha n SER 312 N -4.55 0.75 -4.35 5.81 7.64 -1.26 -4.80 113.62 112.86 2jha n SER 312 Ca -0.18 -0.95 -0.33 0.00 1.01 0.00 0.00 58.87 58.43 2jha n SER 312 Cb 0.53 -0.01 -0.15 0.00 -1.01 0.00 0.00 64.21 63.57 2jha n SER 312 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jha s LYS 313 N -2.26 3.10 0.02 1.43 1.02 -1.26 -5.03 119.74 116.77 2jha s LYS 313 Ca 0.34 -0.75 0.07 0.00 0.02 0.00 0.00 55.97 55.65 2jha s LYS 313 Cb 0.21 -2.48 -0.23 0.00 -0.52 0.00 0.00 37.83 34.80 2jha s LYS 313 CO 0.42 0.29 0.92 -0.44 -0.92 0.00 0.00 175.35 175.62 2jha h ASP 314 N 6.44 0.09 -3.56 2.83 3.32 -1.94 -3.43 116.42 120.17 2jha h ASP 314 Ca -0.28 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 2jha h ASP 314 Cb 1.21 -0.03 -0.22 0.00 0.22 0.00 0.00 39.33 40.50 2jha h ASP 314 CO 0.52 1.11 -0.04 -1.83 -1.72 0.00 0.00 179.24 177.29 2jha s GLU 315 N -2.64 0.66 0.38 3.56 -1.05 -1.26 -2.23 118.70 116.12 2jha s GLU 315 Ca -0.04 0.95 0.06 0.00 -0.15 0.00 0.00 54.97 55.79 2jha s GLU 315 Cb 0.08 0.23 -0.02 0.00 -0.44 0.00 0.00 34.13 33.98 2jha s GLU 315 CO 0.83 -0.12 0.22 1.52 0.95 0.00 0.00 175.26 178.67 2jha s TYR 316 N 0.89 1.78 0.29 4.83 1.13 -0.16 -4.91 117.35 121.20 2jha s TYR 316 Ca -0.05 -1.53 0.11 0.00 -1.41 0.00 0.00 57.07 54.19 2jha s TYR 316 Cb -0.05 -0.91 -0.05 0.00 -1.10 0.00 0.00 41.96 39.85 2jha s TYR 316 CO -0.08 -0.65 -0.10 -1.01 -2.51 0.00 0.00 175.55 171.21 2jha s HIS 317 N -3.30 2.45 -0.17 -3.49 3.76 -1.26 0.36 115.29 113.64 2jha s HIS 317 Ca 0.32 -0.34 -0.35 0.00 -0.15 0.00 0.00 55.06 54.55 2jha s HIS 317 Cb 0.02 -1.17 0.14 0.00 1.11 0.00 0.00 32.58 32.67 2jha s HIS 317 CO 0.22 0.64 1.24 0.00 -0.85 0.00 0.00 174.74 175.99 2jha s ILE 319 N -2.39 5.33 0.12 0.00 1.01 -1.26 0.12 121.20 124.13 2jha s ILE 319 Ca 0.10 0.46 -0.25 0.00 0.00 0.00 0.00 60.65 60.97 2jha s ILE 319 Cb -0.00 -3.58 0.07 0.00 0.01 0.00 0.00 42.46 38.96 2jha s ILE 319 CO -0.04 0.44 0.64 -0.55 0.00 0.00 0.00 174.94 175.43 2jha s SER 320 N 0.15 -0.56 -0.24 3.58 0.15 0.50 -4.91 113.70 112.38 2jha s SER 320 Ca 0.15 0.08 -0.14 0.00 0.70 0.00 0.00 55.95 56.74 2jha s SER 320 Cb -0.13 0.57 -0.10 0.00 -1.71 0.00 0.00 66.02 64.65 2jha s SER 320 CO 0.03 -0.89 -0.34 0.41 1.20 0.00 0.00 173.24 173.66 2jha n THR 321 N -0.22 1.45 -4.26 6.45 -1.04 0.31 -0.99 114.28 115.98 2jha n THR 321 Ca -0.16 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.05 61.47 2jha n THR 321 Cb 0.64 -1.97 -0.10 0.00 -1.82 0.00 0.00 70.33 67.07 2jha n THR 321 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2jha s TYR 322 N -2.57 1.30 -0.03 -1.42 1.51 0.25 -4.86 117.35 111.53 2jha s TYR 322 Ca -0.34 -1.07 0.02 0.00 -1.01 0.00 0.00 57.07 54.67 2jha s TYR 322 Cb 0.11 -0.75 0.01 0.00 -0.11 0.00 0.00 41.96 41.23 2jha s TYR 322 CO 0.45 -0.25 -0.07 -0.51 -1.11 0.00 0.00 175.55 174.06 2jha s LEU 323 N -3.21 1.62 0.17 -1.29 1.43 -0.92 -0.95 118.68 115.53 2jha s LEU 323 Ca 0.28 -0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 53.02 2jha s LEU 323 Cb 0.07 -0.47 0.06 0.00 0.03 0.00 0.00 46.19 45.87 2jha s LEU 323 CO 0.07 0.01 0.58 0.72 0.23 0.00 0.00 176.35 177.96 2jha s PHE 324 N 0.46 -0.42 0.25 0.29 -0.12 -0.29 -1.06 117.98 117.09 2jha s PHE 324 Ca -0.07 0.16 -0.30 0.00 -0.05 0.00 0.00 56.93 56.68 2jha s PHE 324 Cb -0.10 0.52 -0.09 0.00 -0.63 0.00 0.00 43.02 42.71 2jha s PHE 324 CO 0.00 -0.87 1.11 -2.14 -0.05 0.00 0.00 175.22 173.28 2jha s PRO 325 N -3.78 4.61 -0.15 1.99 0.02 -1.26 -1.64 135.00 134.79 2jha s PRO 325 Ca 0.03 1.80 -0.10 0.00 0.02 0.00 0.00 61.00 62.75 2jha s PRO 325 Cb -0.01 -3.21 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 2jha s PRO 325 CO -0.10 0.14 0.18 -0.65 -0.33 0.00 0.00 177.00 176.24 2jha s GLN 326 N -1.09 3.89 0.43 5.54 -0.21 -1.26 -4.90 119.66 122.06 2jha s GLN 326 Ca 0.46 -0.09 -0.24 0.00 0.02 0.00 0.00 55.36 55.51 2jha s GLN 326 Cb -0.32 -3.32 -0.08 0.00 1.00 0.00 0.00 33.01 30.30 2jha s GLN 326 CO 0.39 0.50 1.20 -2.14 -2.12 0.00 0.00 175.29 173.12 2jha s PRO 327 N -0.26 3.87 -0.12 2.91 0.02 -1.26 -3.40 135.00 136.75 2jha s PRO 327 Ca 0.13 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.03 2jha s PRO 327 Cb -0.12 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.85 2jha s PRO 327 CO 0.02 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 2jha n GLY 328 N 0.57 0.38 3.79 0.52 0.00 -1.19 -4.07 105.19 105.19 2jha n GLY 328 Ca 0.06 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2jha n GLY 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jha s ALA 329 N -1.66 3.47 0.58 4.61 0.00 -1.22 -3.36 121.76 124.19 2jha s ALA 329 Ca 0.00 0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.06 2jha s ALA 329 Cb 0.00 -2.88 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 2jha s ALA 329 CO 0.00 0.32 0.62 -0.25 0.00 0.00 0.00 175.76 176.45 2jha n ASP 330 N 1.51 -0.64 -0.06 0.00 9.92 -1.26 -0.88 116.55 125.14 2jha n ASP 330 Ca -0.06 0.74 -0.10 0.00 -0.53 0.00 0.00 54.79 54.84 2jha n ASP 330 Cb 0.49 -1.22 -0.03 0.00 -0.64 0.00 0.00 41.12 39.72 2jha n ASP 330 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jha h ALA 331 N 0.26 0.28 0.00 2.24 0.00 -1.86 -2.52 119.26 117.66 2jha h ALA 331 Ca -0.46 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2jha h ALA 331 Cb 1.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2jha h ALA 331 CO 0.48 -0.21 -0.30 0.38 0.00 0.00 0.00 179.25 179.60 2jha h ASP 332 N 0.27 0.00 -1.00 0.00 3.04 -1.94 -3.44 116.42 113.34 2jha h ASP 332 Ca 0.08 0.00 -0.68 0.00 -3.24 0.00 0.00 57.03 53.18 2jha h ASP 332 Cb 0.02 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.30 2jha h ASP 332 CO -0.01 0.30 1.38 0.80 -2.04 0.00 0.00 179.24 179.67 2jha n MET 333 N -3.75 0.98 -2.94 4.15 1.56 -0.95 -4.87 117.12 111.30 2jha n MET 333 Ca -0.01 0.27 -0.36 0.00 -0.27 0.00 0.00 57.70 57.33 2jha n MET 333 Cb 0.40 -2.34 -0.01 0.00 2.15 0.00 0.00 33.22 33.41 2jha n MET 333 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2jha n TYR 334 N 9.34 3.11 -3.57 1.12 4.02 -1.26 -4.85 117.16 125.07 2jha n TYR 334 Ca 0.42 -3.19 -0.18 0.00 -0.01 0.00 0.00 57.90 54.94 2jha n TYR 334 Cb 0.20 -0.93 -0.14 0.00 -0.02 0.00 0.00 39.34 38.45 2jha n TYR 334 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2jha s GLU 335 N -3.43 0.13 0.22 -0.72 2.12 -1.26 -2.61 118.70 113.14 2jha s GLU 335 Ca 0.40 0.36 0.02 0.00 0.36 0.00 0.00 54.97 56.10 2jha s GLU 335 Cb 0.17 -0.84 -0.04 0.00 0.26 0.00 0.00 34.13 33.69 2jha s GLU 335 CO -0.05 -0.51 0.37 -0.51 -0.54 0.00 0.00 175.26 174.02 2jha s LEU 336 N 2.32 4.26 0.21 2.70 1.43 -1.00 -4.53 118.68 124.07 2jha s LEU 336 Ca 0.05 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 2jha s LEU 336 Cb -0.14 -3.03 -0.07 0.00 0.03 0.00 0.00 46.19 42.98 2jha s LEU 336 CO -0.10 -0.06 0.56 -0.13 0.23 0.00 0.00 176.35 176.86 2jha s ARG 337 N -3.61 3.86 -0.18 1.70 1.81 -0.65 -2.11 118.95 119.77 2jha s ARG 337 Ca 0.36 0.36 -0.06 0.00 -1.72 0.00 0.00 55.73 54.67 2jha s ARG 337 Cb -0.10 -2.71 -0.03 0.00 -0.45 0.00 0.00 34.95 31.65 2jha s ARG 337 CO 0.30 0.35 0.03 1.21 -0.68 0.00 0.00 175.30 176.51 2jha s ASN 338 N -2.18 5.22 -0.17 0.23 3.04 0.64 -1.14 114.94 120.58 2jha s ASN 338 Ca 0.45 -0.05 -0.06 0.00 0.04 0.00 0.00 52.86 53.24 2jha s ASN 338 Cb -0.12 -1.89 -0.04 0.00 -1.54 0.00 0.00 41.25 37.67 2jha s ASN 338 CO 0.20 0.14 0.02 0.12 -3.04 0.00 0.00 177.10 174.54 2jha s PHE 339 N 0.59 3.16 -0.18 0.43 5.36 -0.13 -1.71 117.98 125.50 2jha s PHE 339 Ca 0.01 -0.09 0.01 0.00 -0.96 0.00 0.00 56.93 55.90 2jha s PHE 339 Cb -0.14 -2.04 0.02 0.00 -0.34 0.00 0.00 43.02 40.53 2jha s PHE 339 CO 0.02 0.06 -0.18 -1.64 -1.46 0.00 0.00 175.22 172.02 2jha s MET 340 N 0.41 2.76 0.37 10.12 -1.94 -0.17 -0.53 119.30 130.32 2jha s MET 340 Ca 0.00 -0.81 -0.14 0.00 -1.71 0.00 0.00 55.69 53.03 2jha s MET 340 Cb -0.13 -2.49 -0.08 0.00 2.01 0.00 0.00 34.83 34.13 2jha s MET 340 CO 0.01 -0.25 0.77 0.50 -0.01 0.00 0.00 175.02 176.04 2jha s ARG 341 N 1.32 3.93 0.12 2.03 3.52 -1.26 -0.56 118.95 128.06 2jha s ARG 341 Ca 0.04 0.63 -0.03 0.00 -0.13 0.00 0.00 55.73 56.24 2jha s ARG 341 Cb -0.14 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.83 2jha s ARG 341 CO -0.12 0.06 0.09 -0.51 -0.81 0.00 0.00 175.30 174.01 2jha s LEU 342 N -3.35 1.71 0.21 -0.88 1.43 0.76 -2.70 118.68 115.86 2jha s LEU 342 Ca 0.54 -1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.26 2jha s LEU 342 Cb -0.10 0.50 -0.09 0.00 0.03 0.00 0.00 46.19 46.53 2jha s LEU 342 CO 0.23 -0.74 1.23 0.00 0.23 0.00 0.00 176.35 177.30 2jha s ARG 343 N -4.00 4.46 0.00 1.70 3.03 -1.26 -4.66 118.95 118.22 2jha s ARG 343 Ca 0.19 1.95 0.00 0.00 2.03 0.00 0.00 55.73 59.90 2jha s ARG 343 Cb 0.07 -3.21 0.00 0.00 -1.03 0.00 0.00 34.95 30.78 2jha s ARG 343 CO -0.01 -0.12 0.00 0.41 -1.13 0.00 0.00 175.30 174.45 2jha n GLY 344 N 2.06 3.91 3.69 3.88 0.00 -1.25 -0.99 105.19 116.49 2jha n GLY 344 Ca 0.04 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.66 2jha n GLY 344 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2jha n TYR 345 N -1.43 2.30 -3.74 1.61 4.19 -1.26 -4.39 117.16 114.45 2jha n TYR 345 Ca 0.00 0.42 -0.13 0.00 3.31 0.00 0.00 57.90 61.50 2jha n TYR 345 Cb 0.00 -2.48 -0.10 0.00 0.49 0.00 0.00 39.34 37.25 2jha n TYR 345 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2jha s SER 346 N 0.22 -0.40 0.43 2.98 0.15 -1.26 -4.19 113.70 111.63 2jha s SER 346 Ca 0.65 0.74 0.23 0.00 0.70 0.00 0.00 55.95 58.27 2jha s SER 346 Cb -0.61 0.76 0.40 0.00 -1.71 0.00 0.00 66.02 64.86 2jha s SER 346 CO 0.52 -0.17 1.62 0.45 1.20 0.00 0.00 173.24 176.87 2jha h HIS 347 N 5.36 0.00 -3.53 3.44 3.86 -1.88 -3.43 115.15 118.98 2jha h HIS 347 Ca -0.27 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.29 2jha h HIS 347 Cb 1.18 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.42 2jha h HIS 347 CO 0.41 0.05 -0.64 0.08 0.86 0.00 0.00 177.93 178.69 2jha s VAL 348 N -3.23 4.12 -0.28 2.45 1.01 -1.26 -4.93 120.40 118.28 2jha s VAL 348 Ca 0.06 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 2jha s VAL 348 Cb 0.06 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 2jha s VAL 348 CO 0.67 0.38 1.53 -0.62 0.00 0.00 0.00 175.10 177.06 2jha s ASP 349 N 1.35 6.39 0.00 3.32 -1.08 -1.26 -4.86 116.67 120.52 2jha s ASP 349 Ca 0.05 1.37 0.11 0.00 -0.52 0.00 0.00 52.55 53.56 2jha s ASP 349 Cb -0.15 -2.53 0.15 0.00 -1.46 0.00 0.00 42.92 38.93 2jha s ASP 349 CO 0.02 -1.29 0.97 0.54 0.52 0.00 0.00 175.17 175.93 2jha n ARG 350 N 7.73 1.20 -0.37 4.34 1.74 -1.26 -4.74 116.66 125.30 2jha n ARG 350 Ca 0.18 -1.42 0.29 0.00 -0.77 0.00 0.00 57.85 56.13 2jha n ARG 350 Cb 0.46 -1.23 0.55 0.00 -1.02 0.00 0.00 32.46 31.22 2jha n ARG 350 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jha h HIS 351 N 2.20 0.76 -0.46 -1.55 3.86 -1.97 0.65 115.15 118.65 2jha h HIS 351 Ca 0.00 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.33 2jha h HIS 351 Cb 0.55 -0.20 -0.08 0.00 1.06 0.00 0.00 27.41 28.74 2jha h HIS 351 CO 0.06 -0.20 -0.08 0.52 0.86 0.00 0.00 177.93 179.09 2jha h MET 352 N 0.21 0.03 -6.28 2.45 2.86 -1.99 -3.37 114.93 108.84 2jha h MET 352 Ca 0.76 -0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.83 2jha h MET 352 Cb 2.02 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.64 2jha h MET 352 CO -0.54 0.02 1.26 -1.01 1.06 0.00 0.00 176.91 177.70 2jha s HIS 353 N -6.21 1.84 0.47 -0.22 4.02 0.23 -4.88 115.29 110.54 2jha s HIS 353 Ca -0.14 0.62 -0.24 0.00 1.02 0.00 0.00 55.06 56.32 2jha s HIS 353 Cb 0.16 -4.14 -0.08 0.00 -1.02 0.00 0.00 32.58 27.50 2jha s HIS 353 CO 0.72 -2.90 1.35 -0.35 1.02 0.00 0.00 174.74 174.58 2jha n PRO 354 N 8.41 1.99 -1.53 8.40 -0.04 -1.26 -4.80 135.00 146.16 2jha n PRO 354 Ca 0.22 0.71 -0.31 0.00 -0.04 0.00 0.00 63.50 64.09 2jha n PRO 354 Cb 0.47 -2.52 -0.09 0.00 -0.04 0.00 0.00 33.50 31.32 2jha n PRO 354 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jha n ASP 355 N -0.24 1.29 -3.16 3.54 -0.08 -1.26 -4.65 116.55 112.00 2jha n ASP 355 Ca 0.07 -0.54 -0.45 0.00 -1.51 0.00 0.00 54.79 52.36 2jha n ASP 355 Cb 0.42 -1.32 -0.08 0.00 2.34 0.00 0.00 41.12 42.48 2jha n ASP 355 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jha n ALA 356 N 14.01 -0.38 -2.47 -1.67 0.00 -1.10 -4.95 120.51 123.95 2jha n ALA 356 Ca 0.50 0.24 -0.24 0.00 0.00 0.00 0.00 53.44 53.93 2jha n ALA 356 Cb 0.35 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.31 2jha n ALA 356 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jha s SER 357 N 3.20 2.54 0.49 0.00 1.04 -0.16 -4.66 113.70 116.16 2jha s SER 357 Ca 0.79 -1.65 -0.23 0.00 0.48 0.00 0.00 55.95 55.34 2jha s SER 357 Cb -1.05 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 65.45 2jha s SER 357 CO 0.52 -0.92 1.24 0.55 0.98 0.00 0.00 173.24 175.61 2jha n VAL 358 N -0.84 3.13 -3.67 5.02 3.14 -1.26 -0.37 118.33 123.49 2jha n VAL 358 Ca -0.04 -0.50 -0.11 0.00 -2.96 0.00 0.00 64.34 60.73 2jha n VAL 358 Cb 0.65 -1.52 -0.12 0.00 -1.06 0.00 0.00 33.84 31.79 2jha n VAL 358 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2jha s THR 359 N -1.28 -0.44 -0.14 1.55 2.01 0.34 -4.86 115.64 112.81 2jha s THR 359 Ca 0.67 0.22 -0.27 0.00 0.31 0.00 0.00 61.69 62.62 2jha s THR 359 Cb -0.47 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 2jha s THR 359 CO 0.53 0.09 0.89 -0.75 -0.69 0.00 0.00 174.62 174.70 2jha s LYS 360 N 2.34 4.36 -0.13 4.92 2.20 -1.26 -2.35 119.74 129.82 2jha s LYS 360 Ca -0.01 1.15 0.02 0.00 -0.36 0.00 0.00 55.97 56.77 2jha s LYS 360 Cb -0.12 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 2jha s LYS 360 CO -0.10 -0.30 -0.20 0.54 -0.36 0.00 0.00 175.35 174.93 2jha s VAL 361 N 2.00 2.33 -0.59 4.02 0.11 0.16 -4.95 120.40 123.48 2jha s VAL 361 Ca 0.42 -0.90 -0.25 0.00 -2.93 0.00 0.00 61.98 58.32 2jha s VAL 361 Cb -0.17 -1.94 0.04 0.00 -1.53 0.00 0.00 36.38 32.78 2jha s VAL 361 CO 0.15 0.54 1.02 -0.69 -3.33 0.00 0.00 175.10 172.79 2jha s VAL 362 N 0.57 4.25 0.31 2.04 1.01 -1.26 -0.99 120.40 126.33 2jha s VAL 362 Ca -0.12 0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.21 2jha s VAL 362 Cb -0.16 -4.63 0.35 0.00 0.00 0.00 0.00 36.38 31.93 2jha s VAL 362 CO 0.04 -1.28 1.62 0.28 0.00 0.00 0.00 175.10 175.75 2jha h SER 363 N 9.46 -0.04 -0.54 3.32 0.02 -1.72 -0.76 113.55 123.29 2jha h SER 363 Ca -0.27 0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 2jha h SER 363 Cb 1.07 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 2jha h SER 363 CO 1.14 -0.26 0.03 -0.09 -1.14 0.00 0.00 176.83 176.51 2jha h ARG 364 N 0.13 0.94 -0.11 3.45 2.43 -1.91 0.43 114.38 119.74 2jha h ARG 364 Ca 0.63 -0.28 0.03 0.00 -0.81 0.00 0.00 59.98 59.55 2jha h ARG 364 Cb 1.38 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2jha h ARG 364 CO -0.75 0.94 0.09 -0.44 -1.51 0.00 0.00 179.97 178.29 2jha h ASP 365 N 0.82 0.00 0.78 -3.80 5.19 -1.54 0.92 116.42 118.79 2jha h ASP 365 Ca 0.16 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.32 2jha h ASP 365 Cb 0.49 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.97 2jha h ASP 365 CO 0.02 0.00 -1.29 0.58 -3.12 0.00 0.00 179.24 175.44 2jha h VAL 366 N 0.00 1.37 0.58 -1.35 2.07 -0.88 -3.03 116.25 115.01 2jha h VAL 366 Ca 0.05 -3.13 -0.03 0.00 0.82 0.00 0.00 66.70 64.41 2jha h VAL 366 Cb 0.22 2.69 0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2jha h VAL 366 CO -0.00 0.79 -0.28 -0.09 0.02 0.00 0.00 177.57 178.02 2jha h ARG 367 N 0.01 -0.75 -0.72 1.57 2.43 0.11 -0.75 114.38 116.28 2jha h ARG 367 Ca -0.12 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.31 2jha h ARG 367 Cb 1.87 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 31.57 2jha h ARG 367 CO 0.12 -0.46 0.53 0.87 -1.51 0.00 0.00 179.97 179.52 2jha h LYS 368 N -0.89 0.00 -0.11 0.20 1.79 -0.99 -2.40 116.57 114.18 2jha h LYS 368 Ca -0.08 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 2jha h LYS 368 Cb 0.63 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2jha h LYS 368 CO 0.13 0.00 -0.05 1.98 -1.08 0.00 0.00 179.45 180.43 2jha h MET 369 N 0.00 0.23 -0.98 3.15 4.05 -1.02 -1.16 114.93 119.20 2jha h MET 369 Ca 0.34 -0.10 0.14 0.00 -0.28 0.00 0.00 59.70 59.81 2jha h MET 369 Cb 1.40 -0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 32.11 2jha h MET 369 CO -0.00 0.57 0.62 0.28 0.23 0.00 0.00 176.91 178.60 2jha h VAL 370 N -0.12 0.85 0.00 -5.77 2.07 -0.99 -3.05 116.25 109.23 2jha h VAL 370 Ca 0.02 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 2jha h VAL 370 Cb 0.50 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2jha h VAL 370 CO 0.02 0.16 -0.23 -0.33 0.02 0.00 0.00 177.57 177.20 2jha h GLU 371 N 0.87 0.00 0.00 1.57 5.08 -0.75 -1.31 114.58 120.04 2jha h GLU 371 Ca 0.51 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.61 2jha h GLU 371 Cb 0.64 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2jha h GLU 371 CO -0.28 0.23 -1.69 1.28 -1.00 0.00 0.00 179.01 177.56 2jha n LEU 372 N -3.87 0.77 -0.00 1.33 4.77 -0.94 -4.70 117.00 114.36 2jha n LEU 372 Ca -0.02 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2jha n LEU 372 Cb 0.32 0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2jha n LEU 372 CO 0.34 0.32 -0.44 -1.22 -1.33 0.00 0.00 177.39 175.06 2jha n TYR 373 N -2.95 0.00 -2.42 -1.77 4.01 -1.12 -4.93 117.16 107.98 2jha n TYR 373 Ca -0.16 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.28 2jha n TYR 373 Cb 0.99 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 40.00 2jha n TYR 373 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2jha s HIS 374 N -1.91 3.54 0.00 -0.72 3.76 -0.51 -4.59 115.29 114.86 2jha s HIS 374 Ca -0.00 1.14 0.00 0.00 -0.15 0.00 0.00 55.06 56.05 2jha s HIS 374 Cb 0.00 -2.56 0.00 0.00 1.11 0.00 0.00 32.58 31.14 2jha s HIS 374 CO 0.02 -0.37 0.00 0.41 -0.85 0.00 0.00 174.74 173.94 2jha n GLY 375 N -2.03 3.77 0.32 -2.22 0.00 -0.06 -4.67 105.19 100.31 2jha n GLY 375 Ca 0.04 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.71 2jha n GLY 375 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jha h ARG 376 N 0.00 0.61 -0.98 1.61 1.12 -1.81 0.23 114.38 115.16 2jha h ARG 376 Ca 0.00 -0.04 -0.11 0.00 -1.11 0.00 0.00 59.98 58.72 2jha h ARG 376 Cb 0.00 -0.14 -0.07 0.00 -0.01 0.00 0.00 29.97 29.76 2jha h ARG 376 CO 0.00 0.40 0.14 -0.40 -3.11 0.00 0.00 179.97 177.01 2jha n ASP 377 N -4.87 3.02 -2.78 -3.80 3.85 -1.26 -4.39 116.55 106.32 2jha n ASP 377 Ca 0.20 -2.40 -0.14 0.00 -0.71 0.00 0.00 54.79 51.73 2jha n ASP 377 Cb 0.52 -0.58 -0.04 0.00 -1.35 0.00 0.00 41.12 39.66 2jha n ASP 377 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2jha n ARG 378 N 0.08 0.65 0.00 0.11 1.74 0.81 -2.85 116.66 117.19 2jha n ARG 378 Ca 0.15 -2.00 0.00 0.00 -0.77 0.00 0.00 57.85 55.22 2jha n ARG 378 Cb 0.76 1.17 0.00 0.00 -1.02 0.00 0.00 32.46 33.37 2jha n ARG 378 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jha n GLY 379 N 0.37 2.60 0.49 -0.13 0.00 -1.00 -3.16 105.19 104.36 2jha n GLY 379 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2jha n GLY 379 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jha h ARG 380 N 1.05 -0.72 -0.22 1.61 2.43 -0.46 0.40 114.38 118.47 2jha h ARG 380 Ca 0.00 0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 2jha h ARG 380 Cb 0.00 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2jha h ARG 380 CO 0.00 -0.48 -0.52 0.74 -1.51 0.00 0.00 179.97 178.21 2jha h PHE 381 N -0.75 0.93 -0.64 2.20 0.05 -1.90 -2.53 116.94 114.30 2jha h PHE 381 Ca -0.00 -0.35 0.06 0.00 3.82 0.00 0.00 57.97 61.49 2jha h PHE 381 Cb 0.76 -0.17 -0.09 0.00 2.00 0.00 0.00 35.95 38.46 2jha h PHE 381 CO -0.47 1.15 -0.46 1.25 -0.18 0.00 0.00 178.31 179.61 2jha h LEU 382 N 0.45 -1.63 -0.67 1.54 5.85 -1.89 -0.61 115.31 118.35 2jha h LEU 382 Ca -0.00 0.24 0.14 0.00 0.84 0.00 0.00 57.88 59.10 2jha h LEU 382 Cb 1.13 0.71 -0.11 0.00 0.37 0.00 0.00 40.66 42.75 2jha h LEU 382 CO 0.11 -0.22 0.01 0.50 -0.34 0.00 0.00 178.44 178.50 2jha h LYS 383 N -0.10 0.12 0.02 1.25 3.64 0.18 -0.53 116.57 121.15 2jha h LYS 383 Ca 0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2jha h LYS 383 Cb 0.37 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2jha h LYS 383 CO -0.66 0.08 -0.14 -0.22 -2.27 0.00 0.00 179.45 176.24 2jha h LYS 384 N 0.12 -0.18 -0.05 1.90 3.64 -0.85 0.14 116.57 121.29 2jha h LYS 384 Ca 0.35 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.76 2jha h LYS 384 Cb 0.59 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2jha h LYS 384 CO -0.57 -0.12 0.07 0.00 -2.27 0.00 0.00 179.45 176.56 2jha h ARG 385 N -0.19 0.00 0.34 1.90 3.08 -0.09 1.39 114.38 120.81 2jha h ARG 385 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2jha h ARG 385 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2jha h ARG 385 CO -0.08 0.00 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.59 2jha h LEU 386 N 0.00 -0.38 0.59 3.04 3.38 -0.72 0.44 115.31 121.66 2jha h LEU 386 Ca 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2jha h LEU 386 Cb 0.17 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2jha h LEU 386 CO -0.00 -0.01 -0.35 0.15 0.09 0.00 0.00 178.44 178.32 2jha h PHE 387 N -0.81 -0.93 -0.70 1.13 3.57 0.13 0.80 116.94 120.13 2jha h PHE 387 Ca -0.05 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.59 2jha h PHE 387 Cb 0.52 0.33 -0.12 0.00 2.79 0.00 0.00 35.95 39.46 2jha h PHE 387 CO 0.02 -0.54 -0.05 0.93 -2.23 0.00 0.00 178.31 176.45 2jha h GLU 388 N -0.89 0.07 -0.11 1.11 5.08 0.16 -2.42 114.58 117.58 2jha h GLU 388 Ca -0.07 -0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 2jha h GLU 388 Cb 0.72 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2jha h GLU 388 CO 0.08 0.05 -0.72 1.25 -1.00 0.00 0.00 179.01 178.67 2jha h HIS 389 N 0.07 0.71 -0.31 4.33 2.76 -0.60 -2.32 115.15 119.79 2jha h HIS 389 Ca 0.37 -0.31 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 2jha h HIS 389 Cb 0.61 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 2jha h HIS 389 CO -0.45 1.08 -0.16 -0.07 -1.30 0.00 0.00 177.93 177.03 2jha h LEU 390 N 0.37 0.54 -0.68 0.26 3.38 -0.38 -3.36 115.31 115.44 2jha h LEU 390 Ca -0.03 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2jha h LEU 390 Cb 1.31 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2jha h LEU 390 CO 0.13 0.72 -0.01 1.41 0.09 0.00 0.00 178.44 180.79 2jha n HIS 391 N -4.17 0.00 -3.49 1.13 8.25 -0.99 -4.96 115.22 111.00 2jha n HIS 391 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2jha n HIS 391 Cb 0.36 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.41 2jha n HIS 391 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2jha s ILE 392 N -0.38 5.00 -0.32 1.59 1.01 -0.88 -4.86 121.20 122.36 2jha s ILE 392 Ca 0.00 0.69 -0.22 0.00 0.00 0.00 0.00 60.65 61.12 2jha s ILE 392 Cb 0.00 -3.70 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 2jha s ILE 392 CO 0.01 0.37 0.73 -0.69 0.00 0.00 0.00 174.94 175.36 2jha s VAL 393 N -1.31 4.83 -0.90 2.92 1.01 -0.41 -4.90 120.40 121.64 2jha s VAL 393 Ca 0.31 0.98 -0.25 0.00 0.00 0.00 0.00 61.98 63.03 2jha s VAL 393 Cb -0.15 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 2jha s VAL 393 CO 0.17 -0.26 1.98 -0.60 0.00 0.00 0.00 175.10 176.39 2jha s ARG 394 N 2.86 2.48 0.02 2.72 3.52 -1.25 -2.17 118.95 127.14 2jha s ARG 394 Ca 0.29 -0.26 -0.02 0.00 -0.13 0.00 0.00 55.73 55.62 2jha s ARG 394 Cb -0.14 -5.05 -0.02 0.00 -1.56 0.00 0.00 34.95 28.18 2jha s ARG 394 CO 0.13 -3.48 0.01 0.21 -0.81 0.00 0.00 175.30 171.36 2jha s LYS 395 N 7.13 0.39 -0.29 5.12 2.47 -0.79 -4.95 119.74 128.83 2jha s LYS 395 Ca 0.72 -0.64 -0.05 0.00 -1.56 0.00 0.00 55.97 54.44 2jha s LYS 395 Cb -0.07 0.14 0.02 0.00 -1.46 0.00 0.00 37.83 36.47 2jha s LYS 395 CO 0.00 -0.07 0.03 1.21 0.16 0.00 0.00 175.35 176.68 2jha s ASN 396 N -1.62 4.90 0.06 1.43 2.47 -1.26 -3.09 114.94 117.83 2jha s ASN 396 Ca -0.13 -0.91 -0.12 0.00 0.42 0.00 0.00 52.86 52.12 2jha s ASN 396 Cb -0.07 -1.79 -0.03 0.00 -1.45 0.00 0.00 41.25 37.90 2jha s ASN 396 CO -0.02 -0.21 1.21 1.23 -3.72 0.00 0.00 177.10 175.60 2jha h GLY 397 N 8.14 -1.89 -0.56 1.21 0.00 -1.92 0.19 103.07 108.23 2jha h GLY 397 Ca -0.29 0.97 0.35 0.00 0.00 0.00 0.00 47.33 48.36 2jha h GLY 397 CO 0.58 -0.59 0.83 1.41 0.00 0.00 0.00 176.54 178.78 2jha h LEU 398 N -0.04 0.21 0.00 3.11 3.38 -1.97 -1.32 115.31 118.68 2jha h LEU 398 Ca 0.05 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 2jha h LEU 398 Cb 0.18 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2jha h LEU 398 CO -0.34 -0.01 -1.76 0.18 0.09 0.00 0.00 178.44 176.60 2jha n LEU 399 N -4.43 0.46 -4.72 1.67 4.77 -0.42 -4.95 117.00 109.37 2jha n LEU 399 Ca 0.29 0.20 -0.41 0.00 -0.03 0.00 0.00 56.01 56.06 2jha n LEU 399 Cb 1.21 0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 42.42 2jha n LEU 399 CO 0.31 0.18 0.69 -2.28 -1.33 0.00 0.00 177.39 174.96 2jha s HIS 400 N -2.97 3.74 -0.34 -1.77 2.46 0.52 -5.05 115.29 111.88 2jha s HIS 400 Ca -0.06 1.74 -0.11 0.00 0.47 0.00 0.00 55.06 57.11 2jha s HIS 400 Cb 0.09 -3.10 0.00 0.00 -0.13 0.00 0.00 32.58 29.44 2jha s HIS 400 CO 0.84 0.04 0.19 -2.00 -2.47 0.00 0.00 174.74 171.34 2jha s GLU 401 N 0.35 3.22 -0.13 2.88 2.12 -1.26 -4.92 118.70 120.96 2jha s GLU 401 Ca 0.49 -0.81 -0.09 0.00 0.36 0.00 0.00 54.97 54.92 2jha s GLU 401 Cb -0.23 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 2jha s GLU 401 CO 0.29 -0.51 0.17 -1.54 -0.54 0.00 0.00 175.26 173.14 2jha s SER 402 N 1.62 6.40 0.04 -1.70 1.04 -1.26 -4.99 113.70 114.85 2jha s SER 402 Ca 0.04 0.47 0.25 0.00 0.48 0.00 0.00 55.95 57.20 2jha s SER 402 Cb -0.18 -2.10 0.58 0.00 0.10 0.00 0.00 66.02 64.43 2jha s SER 402 CO 0.07 0.34 1.48 0.47 0.98 0.00 0.00 173.24 176.58 2jha n ASP 403 N 2.37 0.48 -4.40 7.02 8.00 -1.26 -4.93 116.55 123.82 2jha n ASP 403 Ca -0.18 -0.02 -0.28 0.00 0.71 0.00 0.00 54.79 55.02 2jha n ASP 403 Cb 0.54 0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.64 2jha n ASP 403 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jha s GLU 404 N -3.05 2.01 0.36 -1.24 0.41 -1.26 -5.13 118.70 110.81 2jha s GLU 404 Ca 0.10 -2.24 -0.18 0.00 -0.41 0.00 0.00 54.97 52.25 2jha s GLU 404 Cb 0.17 -1.02 -0.10 0.00 -1.78 0.00 0.00 34.13 31.40 2jha s GLU 404 CO 0.68 -0.39 0.83 -1.25 -0.49 0.00 0.00 175.26 174.63 2jha s PRO 405 N -3.78 4.12 0.10 0.39 0.04 -1.26 -4.89 135.00 129.71 2jha s PRO 405 Ca 0.19 0.88 0.03 0.00 0.04 0.00 0.00 61.00 62.13 2jha s PRO 405 Cb 0.03 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 2jha s PRO 405 CO 0.11 0.09 -0.09 -0.98 0.04 0.00 0.00 177.00 176.17 2jha s ARG 406 N -3.00 0.86 -0.02 4.56 1.70 -1.26 -1.44 118.95 120.34 2jha s ARG 406 Ca 0.57 -1.25 0.05 0.00 -0.47 0.00 0.00 55.73 54.62 2jha s ARG 406 Cb -0.10 -0.40 -0.01 0.00 -0.57 0.00 0.00 34.95 33.87 2jha s ARG 406 CO 0.16 0.04 -0.17 0.00 -1.08 0.00 0.00 175.30 174.25 2jha s ALA 407 N -3.00 1.42 -0.51 7.88 0.00 -0.06 -2.02 121.76 125.46 2jha s ALA 407 Ca 0.09 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.41 2jha s ALA 407 Cb 0.01 -0.40 0.21 0.00 0.00 0.00 0.00 23.12 22.94 2jha s ALA 407 CO -0.02 0.32 0.52 -0.25 0.00 0.00 0.00 175.76 176.33 2jha n ASP 408 N 2.83 1.36 -4.56 0.00 8.00 0.92 -1.67 116.55 123.43 2jha n ASP 408 Ca -0.16 -2.88 -0.34 0.00 0.71 0.00 0.00 54.79 52.12 2jha n ASP 408 Cb 0.54 -0.65 -0.11 0.00 -0.02 0.00 0.00 41.12 40.88 2jha n ASP 408 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jha s LEU 409 N -1.20 3.39 -1.52 0.64 1.43 -1.26 -2.09 118.68 118.07 2jha s LEU 409 Ca 0.34 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 2jha s LEU 409 Cb 0.09 -1.81 0.08 0.00 0.03 0.00 0.00 46.19 44.58 2jha s LEU 409 CO -0.12 0.23 0.86 0.49 0.23 0.00 0.00 176.35 178.03 2jha n PHE 410 N 3.16 -2.10 0.00 0.29 0.99 -1.26 -4.66 117.46 113.88 2jha n PHE 410 Ca -0.18 0.87 0.00 0.00 -0.00 0.00 0.00 57.45 58.14 2jha n PHE 410 Cb 0.53 -3.85 0.00 0.00 -1.00 0.00 0.00 39.48 35.15 2jha n PHE 410 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.76 179.24 2jha n TYR 411 N -4.55 0.00 -0.09 1.38 0.18 -1.26 -4.96 117.16 107.86 2jha n TYR 411 Ca -0.03 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.64 2jha n TYR 411 Cb 0.56 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.48 2jha n TYR 411 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 2jha h LEU 412 N 0.00 0.43 -2.97 -3.48 4.07 -1.83 -3.07 115.31 108.45 2jha h LEU 412 Ca 0.00 -0.27 -0.11 0.00 0.08 0.00 0.00 57.88 57.58 2jha h LEU 412 Cb 0.00 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 41.56 2jha h LEU 412 CO 0.00 0.59 0.14 0.35 -1.08 0.00 0.00 178.44 178.44 2jha n THR 413 N -4.66 2.12 -2.05 0.22 -2.24 -1.26 -4.78 114.28 101.62 2jha n THR 413 Ca -0.03 -1.09 -0.34 0.00 -2.27 0.00 0.00 64.05 60.32 2jha n THR 413 Cb 0.21 -0.44 0.02 0.00 -2.10 0.00 0.00 70.33 68.02 2jha n THR 413 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2jha s ASN 414 N -0.56 5.51 0.31 3.42 0.02 -1.16 -1.99 114.94 120.50 2jha s ASN 414 Ca 0.39 2.06 0.25 0.00 -1.02 0.00 0.00 52.86 54.53 2jha s ASN 414 Cb 0.30 -2.56 1.12 0.00 0.02 0.00 0.00 41.25 40.13 2jha s ASN 414 CO 0.10 -1.36 1.74 -0.09 0.02 0.00 0.00 177.10 177.52 2jha h ARG 415 N 0.68 0.00 -0.03 -0.60 2.43 -1.90 -1.34 114.38 113.62 2jha h ARG 415 Ca -0.48 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.58 2jha h ARG 415 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2jha h ARG 415 CO 0.56 0.00 -0.48 0.00 -1.51 0.00 0.00 179.97 178.54 2jha n ASN 417 N -3.96 1.62 -4.76 0.00 3.02 -0.50 -4.98 115.26 105.69 2jha n ASN 417 Ca -0.02 -2.10 -0.41 0.00 -0.03 0.00 0.00 54.58 52.02 2jha n ASN 417 Cb 0.51 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 2jha n ASN 417 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2jha s MET 418 N -1.64 4.14 0.00 3.52 1.75 -1.21 -2.39 119.30 123.47 2jha s MET 418 Ca 0.15 2.53 0.00 0.00 -1.25 0.00 0.00 55.69 57.12 2jha s MET 418 Cb 0.09 -3.01 0.00 0.00 2.84 0.00 0.00 34.83 34.76 2jha s MET 418 CO 0.08 -0.54 0.00 0.41 -0.65 0.00 0.00 175.02 174.32 2jha n GLY 419 N 1.29 1.96 1.87 2.11 0.00 -1.26 -4.86 105.19 106.31 2jha n GLY 419 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 2jha n GLY 419 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jha n LEU 420 N 0.00 6.31 -0.24 0.99 4.77 -1.01 -4.70 117.00 123.12 2jha n LEU 420 Ca 0.00 -3.24 -0.10 0.00 -0.03 0.00 0.00 56.01 52.64 2jha n LEU 420 Cb 0.00 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.03 2jha n LEU 420 CO 0.00 1.18 0.53 -0.33 -1.33 0.00 0.00 177.39 177.44 2jha h GLU 421 N 1.36 -0.20 -0.73 3.23 3.07 -1.89 -2.99 114.58 116.44 2jha h GLU 421 Ca 0.31 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.25 2jha h GLU 421 Cb 1.05 0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 28.91 2jha h GLU 421 CO 0.76 -0.14 -0.42 -2.30 -1.40 0.00 0.00 179.01 175.52 2jha n PRO 422 N -5.37 -0.31 -0.08 2.33 -0.02 -1.26 0.16 135.00 130.45 2jha n PRO 422 Ca 0.01 1.10 -0.07 0.00 -2.02 0.00 0.00 63.50 62.52 2jha n PRO 422 Cb 0.33 -1.61 -0.00 0.00 -0.02 0.00 0.00 33.50 32.20 2jha n PRO 422 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jha h SER 423 N 0.00 -0.54 -0.76 2.55 4.64 -1.91 -2.30 113.55 115.24 2jha h SER 423 Ca 0.12 0.12 0.13 0.00 -0.47 0.00 0.00 61.79 61.70 2jha h SER 423 Cb 0.31 0.29 -0.14 0.00 -0.31 0.00 0.00 62.40 62.55 2jha h SER 423 CO -0.68 -0.20 -0.31 0.40 -0.87 0.00 0.00 176.83 175.17 2jha h ILE 424 N -0.12 0.13 -0.89 0.95 2.04 -0.28 0.21 117.51 119.56 2jha h ILE 424 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 2jha h ILE 424 Cb 0.36 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 2jha h ILE 424 CO -0.38 0.00 0.57 1.88 0.00 0.00 0.00 178.15 180.21 2jha h TYR 425 N -0.07 1.14 -0.75 1.37 -1.99 -0.89 -1.71 116.97 114.06 2jha h TYR 425 Ca 0.31 0.01 0.02 0.00 2.00 0.00 0.00 58.73 61.07 2jha h TYR 425 Cb 0.57 -0.38 -0.04 0.00 2.00 0.00 0.00 36.73 38.88 2jha h TYR 425 CO -0.70 0.74 0.50 1.49 -0.00 0.00 0.00 178.16 180.19 2jha h GLU 426 N 1.21 0.93 0.28 4.88 4.57 -0.34 0.43 114.58 126.54 2jha h GLU 426 Ca 0.32 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 2jha h GLU 426 Cb -0.10 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.28 2jha h GLU 426 CO -0.07 0.62 -0.13 0.28 -1.18 0.00 0.00 179.01 178.52 2jha h VAL 427 N 0.96 0.00 -0.02 0.32 2.07 -0.03 -2.93 116.25 116.61 2jha h VAL 427 Ca 0.29 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.81 2jha h VAL 427 Cb -0.01 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.75 2jha h VAL 427 CO -0.08 0.00 0.48 0.24 0.02 0.00 0.00 177.57 178.24 2jha h MET 428 N -0.38 0.00 0.00 1.57 2.86 -0.39 0.65 114.93 119.25 2jha h MET 428 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2jha h MET 428 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2jha h MET 428 CO 0.06 0.00 0.00 -0.22 1.06 0.00 0.00 176.91 177.81 2jha h LYS 429 N 0.00 0.00 0.00 1.72 3.64 0.00 -3.34 116.57 118.59 2jha h LYS 429 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2jha h LYS 429 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2jha h LYS 429 CO -0.00 0.00 -0.17 0.36 -2.27 0.00 0.00 179.45 177.37 2jha n LYS 430 N -2.30 0.00 -3.38 1.90 -0.00 0.22 -4.88 118.16 109.72 2jha n LYS 430 Ca 0.02 -0.42 -0.37 0.00 -0.00 0.00 0.00 58.31 57.54 2jha n LYS 430 Cb 0.25 -0.25 -0.06 0.00 -0.00 0.00 0.00 35.03 34.97 2jha n LYS 430 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2jha s SER 431 N -0.34 6.91 0.05 -5.58 0.15 -0.69 -4.79 113.70 109.40 2jha s SER 431 Ca 0.00 1.10 -0.14 0.00 0.70 0.00 0.00 55.95 57.61 2jha s SER 431 Cb 0.00 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.96 2jha s SER 431 CO 0.00 0.25 1.23 0.58 1.20 0.00 0.00 173.24 176.50 2jha h VAL 432 N 3.38 0.00 -3.16 4.45 2.07 -1.76 -3.33 116.25 117.90 2jha h VAL 432 Ca -0.50 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 66.73 2jha h VAL 432 Cb 1.21 0.00 -0.35 0.00 -1.52 0.00 0.00 31.29 30.63 2jha h VAL 432 CO 0.63 0.00 -0.65 -0.51 0.02 0.00 0.00 177.57 177.07 2jha s ILE 433 N -4.13 -0.20 0.23 4.57 2.07 -1.25 -0.66 121.20 121.83 2jha s ILE 433 Ca -0.06 0.33 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 2jha s ILE 433 Cb 0.03 -0.26 -0.04 0.00 0.13 0.00 0.00 42.46 42.32 2jha s ILE 433 CO 0.26 0.14 0.12 0.00 -1.91 0.00 0.00 174.94 173.55 2jha s ALA 434 N 2.05 1.48 -0.14 1.50 0.00 -1.14 -0.05 121.76 125.46 2jha s ALA 434 Ca 0.01 -1.79 -0.12 0.00 0.00 0.00 0.00 51.96 50.06 2jha s ALA 434 Cb -0.12 1.22 0.04 0.00 0.00 0.00 0.00 23.12 24.26 2jha s ALA 434 CO -0.05 -0.53 0.37 0.95 0.00 0.00 0.00 175.76 176.50 2jha s THR 435 N -3.93 -0.01 -0.03 0.00 -4.23 -0.89 -1.87 115.64 104.69 2jha s THR 435 Ca 0.38 0.02 0.06 0.00 -1.18 0.00 0.00 61.69 60.97 2jha s THR 435 Cb 0.07 -0.53 -0.01 0.00 1.34 0.00 0.00 72.50 73.37 2jha s THR 435 CO 0.13 0.01 -0.20 0.00 -0.54 0.00 0.00 174.62 174.02 2jha s ALA 436 N 0.44 1.72 0.31 3.99 0.00 0.98 -4.15 121.76 125.05 2jha s ALA 436 Ca -0.02 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 2jha s ALA 436 Cb -0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 23.12 22.51 2jha s ALA 436 CO -0.02 0.39 1.31 -0.46 0.00 0.00 0.00 175.76 176.98 2jha s TRP 437 N -0.35 3.09 0.00 0.00 -0.11 -1.26 0.17 118.94 120.49 2jha s TRP 437 Ca 0.05 1.37 0.00 0.00 1.22 0.00 0.00 56.10 58.74 2jha s TRP 437 Cb -0.09 -3.66 0.00 0.00 -1.50 0.00 0.00 33.47 28.21 2jha s TRP 437 CO 0.00 -1.87 0.00 1.33 -4.62 0.00 0.00 176.95 171.80 2jha n VAL 438 N 1.14 0.00 -2.07 5.86 0.24 0.19 -2.19 118.33 121.51 2jha n VAL 438 Ca 0.01 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.34 61.77 2jha n VAL 438 Cb 0.42 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.55 2jha n VAL 438 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2jha s GLY 439 N -0.43 2.26 -0.40 7.63 0.00 -1.15 -4.62 107.32 110.61 2jha s GLY 439 Ca 0.00 1.26 0.06 0.00 0.00 0.00 0.00 44.72 46.04 2jha s GLY 439 CO 0.00 2.26 1.87 0.54 0.00 0.00 0.00 173.10 177.77 2jha n ARG 440 N 2.68 2.81 -3.24 2.90 1.74 -1.26 -4.71 116.66 117.57 2jha n ARG 440 Ca 0.08 -3.05 -0.21 0.00 -0.77 0.00 0.00 57.85 53.90 2jha n ARG 440 Cb 0.41 -2.19 0.03 0.00 -1.02 0.00 0.00 32.46 29.70 2jha n ARG 440 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jha s ALA 441 N -3.18 4.58 -0.65 7.54 0.00 -1.26 -4.78 121.76 124.01 2jha s ALA 441 Ca 0.56 -1.89 0.11 0.00 0.00 0.00 0.00 51.96 50.74 2jha s ALA 441 Cb 0.46 -1.31 0.56 0.00 0.00 0.00 0.00 23.12 22.83 2jha s ALA 441 CO 0.12 -0.64 1.33 -0.35 0.00 0.00 0.00 175.76 176.21 2jha n PRO 442 N -2.04 0.07 -3.80 0.00 -0.04 -1.26 -4.88 135.00 123.05 2jha n PRO 442 Ca 0.10 0.54 -0.30 0.00 -0.04 0.00 0.00 63.50 63.81 2jha n PRO 442 Cb 0.62 -1.71 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 2jha n PRO 442 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jha s LEU 443 N -3.68 3.26 0.00 1.53 0.20 -1.26 -5.07 118.68 113.64 2jha s LEU 443 Ca -0.00 -2.65 0.00 0.00 0.69 0.00 0.00 54.13 52.17 2jha s LEU 443 Cb 0.03 -1.24 0.00 0.00 -0.43 0.00 0.00 46.19 44.56 2jha s LEU 443 CO 0.11 -0.27 0.00 0.00 -0.29 0.00 0.00 176.35 175.90 2jha n TYR 444 N 3.54 0.00 0.00 5.38 -0.00 -1.26 -3.01 117.16 121.81 2jha n TYR 444 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.96 2jha n TYR 444 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.69 2jha n TYR 444 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 2jha n ASP 445 N 0.00 0.00 -4.43 9.48 9.92 -1.26 -4.90 116.55 125.35 2jha n ASP 445 Ca 0.00 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.93 2jha n ASP 445 Cb 0.00 -0.16 -0.13 0.00 -0.64 0.00 0.00 41.12 40.18 2jha n ASP 445 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2jha s TYR 446 N -0.08 2.84 -1.56 1.24 5.04 -1.17 -5.03 117.35 118.63 2jha s TYR 446 Ca 0.00 -0.42 0.16 0.00 -2.44 0.00 0.00 57.07 54.37 2jha s TYR 446 Cb 0.00 -1.80 0.38 0.00 0.35 0.00 0.00 41.96 40.88 2jha s TYR 446 CO 0.00 -0.04 1.29 -3.47 -1.34 0.00 0.00 175.55 171.99 2jha n ASP 447 N 3.14 3.14 -3.88 4.32 2.03 -1.26 -4.69 116.55 119.34 2jha n ASP 447 Ca -0.18 -1.92 -0.29 0.00 0.52 0.00 0.00 54.79 52.92 2jha n ASP 447 Cb 0.53 -0.26 0.20 0.00 -0.72 0.00 0.00 41.12 40.87 2jha n ASP 447 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2jha n ASP 448 N 1.00 0.07 -3.29 1.67 10.43 -1.26 -4.01 116.55 121.16 2jha n ASP 448 Ca 0.15 -1.47 -0.14 0.00 2.57 0.00 0.00 54.79 55.90 2jha n ASP 448 Cb 0.49 -1.01 -0.02 0.00 1.84 0.00 0.00 41.12 42.42 2jha n ASP 448 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 2jha n PHE 449 N -3.84 -0.08 -4.20 1.24 1.16 -0.84 -4.87 117.46 106.02 2jha n PHE 449 Ca 0.17 -1.15 -0.13 0.00 -1.87 0.00 0.00 57.45 54.47 2jha n PHE 449 Cb 0.57 -0.18 -0.10 0.00 -1.61 0.00 0.00 39.48 38.16 2jha n PHE 449 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2jha s ALA 450 N -2.40 1.19 -0.06 1.98 0.00 -1.26 -4.39 121.76 116.82 2jha s ALA 450 Ca 0.06 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.64 2jha s ALA 450 Cb -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2jha s ALA 450 CO 0.04 -0.11 0.14 -0.51 0.00 0.00 0.00 175.76 175.32 2jha s LEU 451 N -2.86 4.28 0.24 0.00 1.43 -0.93 -4.95 118.68 115.89 2jha s LEU 451 Ca 0.11 0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 53.26 2jha s LEU 451 Cb 0.01 -2.29 -0.13 0.00 0.03 0.00 0.00 46.19 43.81 2jha s LEU 451 CO -0.01 0.33 1.45 -2.65 0.23 0.00 0.00 176.35 175.70 2jha n PRO 452 N 1.49 2.13 0.18 1.29 -0.02 -1.26 -4.78 135.00 134.02 2jha n PRO 452 Ca -0.16 0.76 -0.13 0.00 -2.02 0.00 0.00 63.50 61.96 2jha n PRO 452 Cb 0.54 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 2jha n PRO 452 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jha h ARG 453 N 4.45 -0.47 -0.23 -0.52 3.08 -1.89 0.15 114.38 118.96 2jha h ARG 453 Ca -0.45 0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.65 2jha h ARG 453 Cb 1.27 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.39 2jha h ARG 453 CO 0.77 -0.15 -0.14 -1.13 -1.07 0.00 0.00 179.97 178.26 2jha n SER 454 N -5.15 -0.25 -0.26 7.04 3.41 -1.26 0.12 113.62 117.27 2jha n SER 454 Ca -0.09 0.56 -0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2jha n SER 454 Cb 0.28 -0.13 0.12 0.00 -0.26 0.00 0.00 64.21 64.22 2jha n SER 454 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2jha h THR 455 N 0.00 0.98 0.82 6.66 2.02 -1.85 -0.70 112.91 120.84 2jha h THR 455 Ca 0.04 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 2jha h THR 455 Cb 0.10 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2jha h THR 455 CO -0.22 0.14 -0.41 0.58 0.37 0.00 0.00 175.52 175.99 2jha h VAL 456 N 0.78 0.17 -1.16 3.16 2.07 0.14 -1.92 116.25 119.49 2jha h VAL 456 Ca 0.33 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.19 2jha h VAL 456 Cb 0.20 0.17 -0.11 0.00 -1.52 0.00 0.00 31.29 30.03 2jha h VAL 456 CO -0.19 0.00 0.75 -0.03 0.02 0.00 0.00 177.57 178.12 2jha h MET 457 N -1.12 0.24 0.15 1.57 4.05 0.20 0.35 114.93 120.37 2jha h MET 457 Ca -0.11 -0.01 -0.32 0.00 -0.28 0.00 0.00 59.70 58.97 2jha h MET 457 Cb 0.86 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 2jha h MET 457 CO 0.18 0.16 -1.63 -0.07 0.23 0.00 0.00 176.91 175.77 2jha h LEU 458 N 0.25 0.50 -0.23 3.39 3.38 -1.08 -3.28 115.31 118.24 2jha h LEU 458 Ca 0.70 -0.91 -0.21 0.00 0.09 0.00 0.00 57.88 57.56 2jha h LEU 458 Cb 1.99 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 2jha h LEU 458 CO -0.36 1.73 -0.91 0.78 0.09 0.00 0.00 178.44 179.77 2jha h ASN 459 N -0.07 0.28 0.05 -0.43 2.35 -0.85 -3.39 115.58 113.52 2jha h ASN 459 Ca -0.34 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.18 2jha h ASN 459 Cb 1.95 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 40.24 2jha h ASN 459 CO 0.12 1.05 -0.02 1.23 -1.65 0.00 0.00 177.43 178.16 2jha h GLY 460 N 1.83 -0.07 -5.44 2.83 0.00 -1.10 -3.44 103.07 97.67 2jha h GLY 460 Ca -0.05 0.03 -0.53 0.00 0.00 0.00 0.00 47.33 46.77 2jha h GLY 460 CO 0.14 -0.03 1.25 -0.45 0.00 0.00 0.00 176.54 177.46 2jha s SER 461 N -5.82 6.39 0.43 0.19 0.15 -1.24 -4.81 113.70 108.99 2jha s SER 461 Ca -0.14 2.64 0.04 0.00 0.70 0.00 0.00 55.95 59.18 2jha s SER 461 Cb -0.01 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2jha s SER 461 CO 0.53 -1.11 0.13 -0.31 1.20 0.00 0.00 173.24 173.68 2jha s TYR 462 N 4.68 1.78 0.10 3.44 1.51 -0.35 -4.90 117.35 123.60 2jha s TYR 462 Ca 0.89 -1.31 -0.27 0.00 -1.01 0.00 0.00 57.07 55.37 2jha s TYR 462 Cb -0.42 -1.17 -0.11 0.00 -0.11 0.00 0.00 41.96 40.14 2jha s TYR 462 CO 0.41 -0.31 1.66 -0.09 -1.11 0.00 0.00 175.55 176.11 2jha h ARG 463 N 1.70 -0.43 0.00 -0.62 2.43 -1.97 -3.07 114.38 112.42 2jha h ARG 463 Ca -0.35 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.81 2jha h ARG 463 Cb 1.28 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2jha h ARG 463 CO 0.56 -0.29 -0.41 -0.44 -1.51 0.00 0.00 179.97 177.88 2jha h ASP 464 N -0.45 0.00 -3.62 -3.80 5.19 -1.95 -3.39 116.42 108.41 2jha h ASP 464 Ca 0.01 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.73 2jha h ASP 464 Cb 0.43 0.00 -0.28 0.00 0.18 0.00 0.00 39.33 39.66 2jha h ASP 464 CO -0.07 0.18 -0.63 -0.63 -3.12 0.00 0.00 179.24 174.97 2jha s ILE 465 N -3.14 3.75 0.03 0.35 -1.09 -1.16 0.15 121.20 120.08 2jha s ILE 465 Ca 0.04 -0.89 -0.22 0.00 -2.23 0.00 0.00 60.65 57.35 2jha s ILE 465 Cb 0.07 -2.99 -0.06 0.00 -1.58 0.00 0.00 42.46 37.90 2jha s ILE 465 CO 0.72 0.01 0.66 -0.60 -1.23 0.00 0.00 174.94 174.50 2jha s ARG 466 N 1.44 4.38 -0.58 2.79 6.06 0.68 -1.22 118.95 132.50 2jha s ARG 466 Ca 0.01 0.87 0.06 0.00 -2.50 0.00 0.00 55.73 54.16 2jha s ARG 466 Cb -0.18 -3.33 0.30 0.00 0.06 0.00 0.00 34.95 31.81 2jha s ARG 466 CO 0.02 0.39 0.84 1.51 -2.50 0.00 0.00 175.30 175.56 2jha n ILE 467 N 2.54 2.41 -3.25 4.11 0.13 -1.26 -0.64 119.36 123.39 2jha n ILE 467 Ca -0.06 -5.31 -0.23 0.00 -1.10 0.00 0.00 62.75 56.06 2jha n ILE 467 Cb 0.51 -1.60 -0.00 0.00 -0.84 0.00 0.00 39.64 37.70 2jha n ILE 467 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2jha s LEU 468 N -2.93 3.86 0.82 9.51 1.43 0.49 -3.80 118.68 128.07 2jha s LEU 468 Ca 0.44 0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 2jha s LEU 468 Cb 0.23 -3.15 0.08 0.00 0.03 0.00 0.00 46.19 43.39 2jha s LEU 468 CO -0.09 -0.48 1.09 1.51 0.23 0.00 0.00 176.35 178.61 2jha s ASP 469 N -4.13 4.17 0.17 2.29 1.47 -0.28 0.84 116.67 121.20 2jha s ASP 469 Ca 0.44 1.52 -0.15 0.00 1.18 0.00 0.00 52.55 55.54 2jha s ASP 469 Cb -0.10 -2.24 0.12 0.00 -0.34 0.00 0.00 42.92 40.36 2jha s ASP 469 CO 0.36 -2.20 1.70 1.23 0.68 0.00 0.00 175.17 176.93 2jha h GLY 470 N -1.25 0.42 0.93 2.12 0.00 -0.42 0.40 103.07 105.27 2jha h GLY 470 Ca -0.47 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2jha h GLY 470 CO 0.55 -0.10 0.06 -0.57 0.00 0.00 0.00 176.54 176.48 2jha h ASN 471 N 0.11 0.14 -0.56 0.19 -0.00 -1.82 0.16 115.58 113.79 2jha h ASN 471 Ca 0.21 -0.09 0.11 0.00 -0.00 0.00 0.00 56.30 56.53 2jha h ASN 471 Cb 0.29 -0.03 -0.11 0.00 -0.00 0.00 0.00 38.32 38.47 2jha h ASN 471 CO -0.34 0.18 -0.18 1.23 -0.00 0.00 0.00 177.43 178.32 2jha h GLY 472 N 0.08 0.31 0.92 1.57 0.00 -1.50 0.79 103.07 105.24 2jha h GLY 472 Ca 0.04 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2jha h GLY 472 CO -0.01 -0.22 -0.09 0.00 0.00 0.00 0.00 176.54 176.22 2jha h ALA 473 N 1.45 -0.20 -0.31 3.60 0.00 -0.43 0.65 119.26 124.03 2jha h ALA 473 Ca 0.26 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2jha h ALA 473 Cb 0.45 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 2jha h ALA 473 CO -0.59 -0.62 -0.23 0.82 0.00 0.00 0.00 179.25 178.63 2jha h ILE 474 N -0.22 0.40 -0.21 0.00 1.08 0.18 0.37 117.51 119.11 2jha h ILE 474 Ca -0.00 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.52 2jha h ILE 474 Cb 0.20 0.40 -0.07 0.00 -3.07 0.00 0.00 36.82 34.28 2jha h ILE 474 CO -0.01 0.00 -0.27 -0.07 -0.69 0.00 0.00 178.15 177.11 2jha h LEU 475 N -0.20 -0.85 -0.32 1.44 -0.00 -0.67 0.17 115.31 114.88 2jha h LEU 475 Ca 0.16 0.14 0.07 0.00 -0.00 0.00 0.00 57.88 58.25 2jha h LEU 475 Cb 0.45 0.38 -0.07 0.00 -0.00 0.00 0.00 40.66 41.43 2jha h LEU 475 CO -0.43 -0.30 -0.11 0.15 -0.00 0.00 0.00 178.44 177.75 2jha h PHE 476 N -0.30 -0.26 0.00 1.13 3.57 0.55 -1.61 116.94 120.02 2jha h PHE 476 Ca 0.12 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2jha h PHE 476 Cb 0.49 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2jha h PHE 476 CO -0.40 -0.18 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.26 2jha h LEU 477 N -0.05 0.00 -0.68 0.59 3.38 0.43 0.21 115.31 119.18 2jha h LEU 477 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 2jha h LEU 477 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2jha h LEU 477 CO -0.36 0.17 -0.11 0.24 0.09 0.00 0.00 178.44 178.48 2jha h MET 478 N 0.00 0.91 0.04 1.13 2.86 -0.06 0.09 114.93 119.89 2jha h MET 478 Ca -0.00 -0.32 -0.26 0.00 -2.06 0.00 0.00 59.70 57.06 2jha h MET 478 Cb 0.40 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 2jha h MET 478 CO 0.02 0.97 -1.34 2.35 1.06 0.00 0.00 176.91 179.97 2jha h TRP 479 N 0.81 0.15 0.01 -0.22 7.01 -0.35 -3.01 115.95 120.36 2jha h TRP 479 Ca 0.13 -0.11 -0.40 0.00 2.11 0.00 0.00 58.89 60.62 2jha h TRP 479 Cb 0.64 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.63 2jha h TRP 479 CO 0.04 1.12 -2.21 -2.13 -2.79 0.00 0.00 178.44 172.47 2jha n ARG 480 N -3.31 0.60 -2.96 2.65 3.00 0.54 -4.66 116.66 112.53 2jha n ARG 480 Ca -0.09 0.32 -0.33 0.00 -0.00 0.00 0.00 57.85 57.75 2jha n ARG 480 Cb 1.00 -1.57 -0.02 0.00 0.00 0.00 0.00 32.46 31.87 2jha n ARG 480 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2jha n TYR 481 N -4.13 3.39 0.33 -0.14 4.02 0.02 -4.94 117.16 115.71 2jha n TYR 481 Ca -0.47 -3.44 0.11 0.00 -0.01 0.00 0.00 57.90 54.09 2jha n TYR 481 Cb 0.86 -0.80 0.58 0.00 -0.02 0.00 0.00 39.34 39.96 2jha n TYR 481 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2jha h PRO 482 N 3.87 0.00 -0.15 -0.72 0.11 -1.59 0.15 132.00 133.68 2jha h PRO 482 Ca 0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.28 2jha h PRO 482 Cb 0.49 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.53 2jha h PRO 482 CO 0.99 0.00 -0.48 -0.25 -0.21 0.00 0.00 178.00 178.05 2jha n ASP 483 N -2.79 2.26 -0.12 -2.05 10.43 -1.26 -3.65 116.55 119.37 2jha n ASP 483 Ca -0.01 -3.88 -0.16 0.00 2.57 0.00 0.00 54.79 53.31 2jha n ASP 483 Cb 0.57 -0.52 -0.13 0.00 1.84 0.00 0.00 41.12 42.88 2jha n ASP 483 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 2jha n ILE 484 N -1.07 1.47 -3.89 0.53 5.41 0.49 -4.90 119.36 117.41 2jha n ILE 484 Ca 0.24 -0.64 -0.30 0.00 1.00 0.00 0.00 62.75 63.05 2jha n ILE 484 Cb 0.77 -1.18 -0.15 0.00 -0.71 0.00 0.00 39.64 38.37 2jha n ILE 484 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2jha s VAL 485 N -2.51 1.71 0.67 1.39 1.01 -1.03 -4.89 120.40 116.75 2jha s VAL 485 Ca -0.29 -2.04 -0.16 0.00 0.00 0.00 0.00 61.98 59.49 2jha s VAL 485 Cb 0.08 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.21 2jha s VAL 485 CO 0.66 -0.66 1.16 -0.54 0.00 0.00 0.00 175.10 175.72 2jha s LYS 486 N 1.09 2.58 0.40 2.72 1.02 -1.24 -4.42 119.74 121.89 2jha s LYS 486 Ca 0.11 1.60 0.10 0.00 0.02 0.00 0.00 55.97 57.80 2jha s LYS 486 Cb -0.19 -1.90 0.85 0.00 -0.52 0.00 0.00 37.83 36.06 2jha s LYS 486 CO -0.14 -1.46 1.97 0.87 -0.92 0.00 0.00 175.35 175.67 2jha h LYS 487 N 0.06 0.27 -0.00 1.68 1.57 -1.92 -3.20 116.57 115.03 2jha h LYS 487 Ca -0.48 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.04 2jha h LYS 487 Cb 1.27 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 2jha h LYS 487 CO 0.53 0.34 -0.92 0.22 -0.57 0.00 0.00 179.45 179.04 2jha h ASP 488 N 0.27 0.46 0.00 0.86 3.58 -1.98 -3.47 116.42 116.14 2jha h ASP 488 Ca 0.06 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2jha h ASP 488 Cb 0.25 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2jha h ASP 488 CO 0.01 1.16 0.00 -0.11 -2.88 0.00 0.00 179.24 177.42 2jha n LEU 489 N -3.72 0.00 -4.69 2.28 7.94 -1.21 -4.74 117.00 112.85 2jha n LEU 489 Ca -0.06 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.42 2jha n LEU 489 Cb 0.82 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.75 2jha n LEU 489 CO 0.50 0.00 0.80 -0.89 -1.11 0.00 0.00 177.39 176.69 2jha s THR 490 N 0.00 4.68 0.15 1.96 2.01 -1.26 -5.04 115.64 118.14 2jha s THR 490 Ca 0.00 1.95 -0.11 0.00 0.31 0.00 0.00 61.69 63.84 2jha s THR 490 Cb 0.00 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.26 2jha s THR 490 CO 0.00 0.03 0.32 -0.72 -0.69 0.00 0.00 174.62 173.56 2jha s TYR 491 N 1.86 0.18 -0.51 4.92 -0.85 -1.26 -4.54 117.35 117.15 2jha s TYR 491 Ca 0.50 -0.55 -0.13 0.00 -0.52 0.00 0.00 57.07 56.38 2jha s TYR 491 Cb -0.20 0.06 0.13 0.00 0.38 0.00 0.00 41.96 42.33 2jha s TYR 491 CO 0.20 -0.72 0.43 0.34 -1.52 0.00 0.00 175.55 174.29 2jha s ASP 492 N -2.91 5.96 0.51 -0.18 2.15 -1.26 -4.96 116.67 115.98 2jha s ASP 492 Ca 0.12 -1.87 0.22 0.00 0.43 0.00 0.00 52.55 51.44 2jha s ASP 492 Cb 0.03 -2.11 1.31 0.00 -0.30 0.00 0.00 42.92 41.85 2jha s ASP 492 CO -0.04 -0.77 2.02 -0.65 -0.17 0.00 0.00 175.17 175.56 2jha h PRO 493 N 8.65 0.06 0.04 4.34 0.11 -1.90 0.79 132.00 144.10 2jha h PRO 493 Ca -0.25 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 2jha h PRO 493 Cb 1.09 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jha h PRO 493 CO 0.95 0.04 -0.06 0.00 -0.21 0.00 0.00 178.00 178.72 2jha h ALA 494 N 1.78 -0.72 -0.82 -0.75 0.00 -1.88 -1.66 119.26 115.21 2jha h ALA 494 Ca 0.21 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2jha h ALA 494 Cb 0.74 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 2jha h ALA 494 CO -0.02 -0.73 0.45 2.35 0.00 0.00 0.00 179.25 181.30 2jha h TRP 495 N -0.11 0.80 -0.30 0.00 2.91 -1.79 0.54 115.95 117.99 2jha h TRP 495 Ca -0.00 0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.13 2jha h TRP 495 Cb 0.10 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.51 2jha h TRP 495 CO -0.19 0.27 0.35 0.00 -1.03 0.00 0.00 178.44 177.85 2jha h ALA 496 N 1.49 1.94 -0.27 2.65 0.00 -0.46 0.34 119.26 124.95 2jha h ALA 496 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2jha h ALA 496 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jha h ALA 496 CO -0.29 -0.51 0.00 -1.33 0.00 0.00 0.00 179.25 177.12 2jha n MET 497 N -3.67 1.85 0.00 0.00 2.81 0.18 -1.91 117.12 116.38 2jha n MET 497 Ca 0.05 -1.29 0.14 0.00 -1.81 0.00 0.00 57.70 54.78 2jha n MET 497 Cb 0.50 -1.37 0.49 0.00 -0.71 0.00 0.00 33.22 32.13 2jha n MET 497 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2jha n ASN 498 N 0.52 0.83 -4.67 7.83 3.02 0.12 -4.72 115.26 118.19 2jha n ASN 498 Ca 0.15 -0.82 -0.33 0.00 -0.03 0.00 0.00 54.58 53.55 2jha n ASN 498 Cb 0.35 0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.47 2jha n ASN 498 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jha s PHE 499 N -2.44 3.08 -0.22 3.10 0.40 -1.10 0.57 117.98 121.36 2jha s PHE 499 Ca 0.28 0.10 -0.09 0.00 -0.60 0.00 0.00 56.93 56.62 2jha s PHE 499 Cb 0.20 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 2jha s PHE 499 CO 0.48 0.45 0.11 0.00 0.70 0.00 0.00 175.22 176.96 2jha s ALA 500 N -1.01 3.44 -0.10 5.36 0.00 0.46 -1.13 121.76 128.78 2jha s ALA 500 Ca 0.17 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.25 2jha s ALA 500 Cb -0.11 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 2jha s ALA 500 CO 0.07 -0.15 -0.17 0.08 0.00 0.00 0.00 175.76 175.59 2jha s VAL 501 N 0.99 2.70 -0.05 0.00 1.01 0.25 -0.01 120.40 125.28 2jha s VAL 501 Ca 0.06 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2jha s VAL 501 Cb -0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2jha s VAL 501 CO 0.03 0.55 -0.13 -0.94 0.00 0.00 0.00 175.10 174.62 2jha s SER 502 N 0.06 4.17 -0.02 3.32 1.04 -0.78 -0.38 113.70 121.10 2jha s SER 502 Ca -0.07 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2jha s SER 502 Cb -0.15 -0.91 0.03 0.00 0.10 0.00 0.00 66.02 65.09 2jha s SER 502 CO 0.05 0.34 0.02 -0.76 0.98 0.00 0.00 173.24 173.87 2jha s LEU 503 N -0.80 1.17 -0.57 2.42 1.43 0.18 -2.87 118.68 119.64 2jha s LEU 503 Ca 0.12 0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.97 2jha s LEU 503 Cb -0.11 -0.11 -0.01 0.00 0.03 0.00 0.00 46.19 45.98 2jha s LEU 503 CO 0.01 -0.11 1.77 -0.75 0.23 0.00 0.00 176.35 177.50 2jha s LYS 504 N 0.97 2.82 -0.29 1.70 2.20 0.16 -0.23 119.74 127.07 2jha s LYS 504 Ca -0.09 0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 56.17 2jha s LYS 504 Cb -0.12 -4.32 0.19 0.00 -1.51 0.00 0.00 37.83 32.07 2jha s LYS 504 CO -0.02 -2.50 0.76 -1.21 -0.36 0.00 0.00 175.35 172.01 2jha s GLU 505 N 6.62 0.41 0.08 4.03 0.41 0.12 -4.99 118.70 125.39 2jha s GLU 505 Ca 0.66 0.48 -0.32 0.00 -0.41 0.00 0.00 54.97 55.38 2jha s GLU 505 Cb -0.13 0.24 -0.17 0.00 -1.78 0.00 0.00 34.13 32.28 2jha s GLU 505 CO 0.23 -0.70 0.77 -2.30 -0.49 0.00 0.00 175.26 172.76 2jha n PRO 506 N 5.34 0.00 -1.92 0.39 -0.01 -1.26 -4.28 135.00 133.26 2jha n PRO 506 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 63.50 63.12 2jha n PRO 506 Cb 0.55 -1.18 -0.02 0.00 -0.01 0.00 0.00 33.50 32.84 2jha n PRO 506 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 2jha s ILE 507 N -0.38 2.45 0.27 4.25 1.01 -1.26 -4.95 121.20 122.58 2jha s ILE 507 Ca 0.73 0.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.45 2jha s ILE 507 Cb -1.03 -3.24 -0.14 0.00 0.01 0.00 0.00 42.46 38.07 2jha s ILE 507 CO 0.52 0.06 1.18 -2.65 0.00 0.00 0.00 174.94 174.04 2jha n PRO 508 N 2.49 1.62 -3.84 2.79 -0.02 -1.26 -4.96 135.00 131.82 2jha n PRO 508 Ca 0.08 0.57 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 2jha n PRO 508 Cb 0.39 -2.07 -0.13 0.00 -0.02 0.00 0.00 33.50 31.67 2jha n PRO 508 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jha s ASP 509 N -0.22 4.98 0.31 2.55 3.68 -1.26 -1.83 116.67 124.88 2jha s ASP 509 Ca 0.63 -1.07 -0.13 0.00 2.13 0.00 0.00 52.55 54.10 2jha s ASP 509 Cb -0.69 -1.78 -0.08 0.00 -1.45 0.00 0.00 42.92 38.91 2jha s ASP 509 CO 0.57 -0.25 0.69 -2.16 0.13 0.00 0.00 175.17 174.14 2jha s PRO 510 N 1.35 3.92 0.00 4.34 0.05 -1.26 -5.03 135.00 138.37 2jha s PRO 510 Ca -0.02 0.53 0.00 0.00 0.05 0.00 0.00 61.00 61.56 2jha s PRO 510 Cb -0.19 -2.48 0.00 0.00 0.05 0.00 0.00 34.50 31.88 2jha s PRO 510 CO 0.00 0.18 0.44 -0.35 0.05 0.00 0.00 177.00 177.32 2jha n PRO 511 N -0.43 0.39 -0.89 0.56 -0.04 -0.76 -4.90 135.00 128.93 2jha n PRO 511 Ca 0.03 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.13 2jha n PRO 511 Cb 0.53 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.64 2jha n PRO 511 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2jha n VAL 512 N 0.96 0.00 -1.17 0.52 3.14 -1.26 -4.47 118.33 116.05 2jha n VAL 512 Ca 0.00 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.08 2jha n VAL 512 Cb 0.19 -0.03 -0.07 0.00 -1.06 0.00 0.00 33.84 32.87 2jha n VAL 512 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2jha n PRO 513 N 1.05 3.08 -1.78 1.45 -0.04 -1.26 -4.95 135.00 132.55 2jha n PRO 513 Ca 0.12 -1.79 -0.40 0.00 -0.04 0.00 0.00 63.50 61.39 2jha n PRO 513 Cb 0.04 -2.54 0.02 0.00 -0.04 0.00 0.00 33.50 30.97 2jha n PRO 513 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jha s ASP 514 N 2.22 5.90 0.24 3.54 2.15 -1.26 -4.34 116.67 125.11 2jha s ASP 514 Ca 0.66 2.96 0.03 0.00 0.43 0.00 0.00 52.55 56.64 2jha s ASP 514 Cb 0.21 -2.66 0.63 0.00 -0.30 0.00 0.00 42.92 40.80 2jha s ASP 514 CO -0.04 -1.17 1.17 -0.38 -0.17 0.00 0.00 175.17 174.58 2jha n ILE 515 N -0.14 -0.31 -0.33 4.11 5.41 0.34 0.15 119.36 128.59 2jha n ILE 515 Ca 0.05 1.62 0.36 0.00 1.00 0.00 0.00 62.75 65.78 2jha n ILE 515 Cb 0.41 -2.40 0.75 0.00 -0.71 0.00 0.00 39.64 37.69 2jha n ILE 515 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2jha h SER 516 N 0.00 0.00 0.00 4.38 4.64 -1.83 -1.91 113.55 118.83 2jha h SER 516 Ca 0.48 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 61.36 2jha h SER 516 Cb 1.04 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.06 2jha h SER 516 CO -0.68 0.00 -2.51 -0.11 -0.87 0.00 0.00 176.83 172.66 2jha n LEU 517 N -4.17 2.19 -4.19 5.97 7.94 0.39 -4.50 117.00 120.63 2jha n LEU 517 Ca 0.26 0.21 -0.40 0.00 -1.11 0.00 0.00 56.01 54.97 2jha n LEU 517 Cb 1.27 -0.83 -0.05 0.00 0.53 0.00 0.00 43.42 44.34 2jha n LEU 517 CO 0.41 0.66 0.37 0.00 -1.11 0.00 0.00 177.39 177.72 2jha n ARG 519 N 3.02 0.27 -3.73 0.00 1.74 -1.25 -4.39 116.66 112.32 2jha n ARG 519 Ca 0.17 0.11 -0.25 0.00 -0.77 0.00 0.00 57.85 57.11 2jha n ARG 519 Cb 0.40 -0.94 0.01 0.00 -1.02 0.00 0.00 32.46 30.90 2jha n ARG 519 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2jha n PHE 520 N -3.83 -2.07 -2.97 -1.55 3.01 -1.26 -4.91 117.46 103.87 2jha n PHE 520 Ca -0.07 0.75 -0.41 0.00 1.01 0.00 0.00 57.45 58.73 2jha n PHE 520 Cb 0.26 -2.99 -0.05 0.00 -0.01 0.00 0.00 39.48 36.69 2jha n PHE 520 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2jha s ILE 521 N -3.09 4.93 -0.39 4.37 -1.09 -1.26 -3.83 121.20 120.83 2jha s ILE 521 Ca 0.10 1.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.98 2jha s ILE 521 Cb -0.05 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 2jha s ILE 521 CO 0.89 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 175.25 2jha n GLY 522 N 3.62 0.46 0.29 6.18 0.00 -1.26 -4.91 105.19 109.58 2jha n GLY 522 Ca 0.02 -0.81 0.16 0.00 0.00 0.00 0.00 46.02 45.40 2jha n GLY 522 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jha h LEU 523 N 0.00 0.00 -0.04 0.99 5.85 -1.84 0.49 115.31 120.75 2jha h LEU 523 Ca -0.09 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 2jha h LEU 523 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2jha h LEU 523 CO 0.12 0.04 -0.24 0.03 -0.34 0.00 0.00 178.44 178.05 2jha h ARG 524 N 0.00 0.24 -0.83 1.25 3.08 -1.90 0.88 114.38 117.10 2jha h ARG 524 Ca -0.00 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 2jha h ARG 524 Cb 0.15 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 2jha h ARG 524 CO 0.01 0.86 0.51 0.28 -1.07 0.00 0.00 179.97 180.56 2jha h VAL 525 N -0.32 1.23 -0.98 2.04 2.07 -1.53 -1.89 116.25 116.87 2jha h VAL 525 Ca -0.02 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.09 2jha h VAL 525 Cb 0.91 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 2jha h VAL 525 CO 0.05 0.23 0.64 -0.33 0.02 0.00 0.00 177.57 178.18 2jha h GLU 526 N 1.14 1.13 -0.09 1.57 4.39 -0.01 -2.99 114.58 119.72 2jha h GLU 526 Ca 0.30 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.85 2jha h GLU 526 Cb -0.07 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.33 2jha h GLU 526 CO -0.06 0.75 -0.26 0.66 -1.16 0.00 0.00 179.01 178.94 2jha h SER 527 N 1.17 0.37 0.57 1.42 4.64 -0.03 -3.20 113.55 118.49 2jha h SER 527 Ca 0.41 -0.61 -0.17 0.00 -0.47 0.00 0.00 61.79 60.95 2jha h SER 527 Cb 0.13 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2jha h SER 527 CO -0.15 0.91 -0.77 0.28 -0.87 0.00 0.00 176.83 176.23 2jha h SER 528 N -0.15 0.19 -0.71 4.97 0.02 -1.44 -1.49 113.55 114.95 2jha h SER 528 Ca -0.01 -0.14 0.10 0.00 -0.84 0.00 0.00 61.79 60.90 2jha h SER 528 Cb 0.88 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.29 2jha h SER 528 CO 0.06 0.89 0.35 0.58 -1.14 0.00 0.00 176.83 177.56 2jha h VAL 529 N 0.10 0.83 -0.10 2.27 2.07 -1.65 -2.58 116.25 117.19 2jha h VAL 529 Ca -0.03 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2jha h VAL 529 Cb 1.36 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2jha h VAL 529 CO 0.11 0.11 -0.33 0.25 0.02 0.00 0.00 177.57 177.73 2jha h LEU 530 N 0.59 -1.06 -2.29 2.57 5.85 -1.27 -2.55 115.31 117.15 2jha h LEU 530 Ca 0.35 0.13 0.03 0.00 0.84 0.00 0.00 57.88 59.23 2jha h LEU 530 Cb 0.38 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 2jha h LEU 530 CO -0.28 -0.29 0.13 -0.09 -0.34 0.00 0.00 178.44 177.57 2jha h ARG 531 N -0.34 0.00 0.00 1.25 2.43 -1.23 0.89 114.38 117.38 2jha h ARG 531 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2jha h ARG 531 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2jha h ARG 531 CO -0.28 0.00 -0.80 1.33 -1.51 0.00 0.00 179.97 178.72 2jha n VAL 532 N -3.87 0.11 -0.05 0.20 0.24 -1.00 -3.84 118.33 110.13 2jha n VAL 532 Ca -0.00 -0.13 -0.08 0.00 -2.04 0.00 0.00 64.34 62.09 2jha n VAL 532 Cb 0.24 0.29 -0.04 0.00 -1.47 0.00 0.00 33.84 32.86 2jha n VAL 532 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2jha n ARG 533 N -1.76 0.23 -3.33 7.34 1.74 -0.43 -4.90 116.66 115.55 2jha n ARG 533 Ca 0.04 0.07 -0.22 0.00 -0.77 0.00 0.00 57.85 56.97 2jha n ARG 533 Cb 0.39 -1.06 -0.09 0.00 -1.02 0.00 0.00 32.46 30.68 2jha n ARG 533 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jha s ASN 534 N -5.32 1.39 0.00 0.55 2.47 0.18 -5.11 114.94 109.10 2jha s ASN 534 Ca -0.13 -2.27 0.00 0.00 0.42 0.00 0.00 52.86 50.87 2jha s ASN 534 Cb 0.04 0.13 0.00 0.00 -1.45 0.00 0.00 41.25 39.97 2jha s ASN 534 CO 0.20 -0.22 0.00 -0.81 -3.72 0.00 0.00 177.10 172.56 2jha n PRO 535 N 3.56 3.11 0.00 0.43 -0.04 -1.24 -4.43 135.00 136.38 2jha n PRO 535 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2jha n PRO 535 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 2jha n PRO 535 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2jha n THR 536 N 0.00 0.00 0.10 0.52 5.66 -1.26 -5.00 114.28 114.30 2jha n THR 536 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 2jha n THR 536 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 2jha n THR 536 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2jha n ASP 550 N 0.00 2.39 -0.44 1.09 2.03 -1.26 -5.27 116.55 115.09 2jha n ASP 550 Ca 0.00 -0.22 0.36 0.00 0.52 0.00 0.00 54.79 55.45 2jha n ASP 550 Cb 0.00 1.21 0.58 0.00 -0.72 0.00 0.00 41.12 42.19 2jha n ASP 550 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2jha n LEU 551 N -1.54 0.12 0.30 -2.67 0.00 -1.26 0.54 117.00 112.49 2jha n LEU 551 Ca -0.00 1.04 -0.12 0.00 0.00 0.00 0.00 56.01 56.93 2jha n LEU 551 Cb 0.15 -0.51 -0.06 0.00 0.00 0.00 0.00 43.42 43.00 2jha n LEU 551 CO 0.14 -1.11 0.47 0.77 0.00 0.00 0.00 177.39 177.66 2jha h SER 552 N 0.00 -0.65 -0.41 1.96 4.64 -1.95 -3.24 113.55 113.90 2jha h SER 552 Ca 0.73 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 62.05 2jha h SER 552 Cb 2.52 0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 64.76 2jha h SER 552 CO -0.28 -0.43 0.20 1.23 -0.87 0.00 0.00 176.83 176.68 2jha h GLY 553 N -0.83 0.68 -0.52 -0.77 0.00 -1.01 -2.95 103.07 97.66 2jha h GLY 553 Ca -0.08 -0.31 0.34 0.00 0.00 0.00 0.00 47.33 47.28 2jha h GLY 553 CO 0.13 0.30 0.76 0.84 0.00 0.00 0.00 176.54 178.57 2jha h HIS 554 N 0.63 0.54 0.09 5.60 6.17 0.04 0.15 115.15 128.37 2jha h HIS 554 Ca 0.16 0.02 -0.29 0.00 0.71 0.00 0.00 60.37 60.97 2jha h HIS 554 Cb 0.09 -0.15 0.03 0.00 2.52 0.00 0.00 27.41 29.90 2jha h HIS 554 CO 0.01 -0.04 -1.20 1.25 0.71 0.00 0.00 177.93 178.66 2jha h LEU 555 N 0.24 0.87 -1.30 0.26 5.85 -1.54 -3.25 115.31 116.45 2jha h LEU 555 Ca 0.68 -0.78 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2jha h LEU 555 Cb 1.98 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.71 2jha h LEU 555 CO -0.31 1.59 0.14 0.22 -0.34 0.00 0.00 178.44 179.73 2jha h TYR 556 N 0.30 0.62 0.29 1.25 3.20 -0.81 -3.19 116.97 118.63 2jha h TYR 556 Ca -0.17 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.65 2jha h TYR 556 Cb 1.87 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.95 2jha h TYR 556 CO 0.11 0.51 -0.14 0.28 -1.64 0.00 0.00 178.16 177.28 2jha h VAL 557 N 0.61 0.00 -0.32 1.81 2.07 -1.44 0.70 116.25 119.68 2jha h VAL 557 Ca 0.15 -0.17 0.11 0.00 0.82 0.00 0.00 66.70 67.61 2jha h VAL 557 Cb 0.18 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 2jha h VAL 557 CO -0.01 0.00 0.20 0.35 0.02 0.00 0.00 177.57 178.13 2jha n THR 558 N -3.53 -0.07 -0.11 2.57 -2.24 -1.21 0.78 114.28 110.48 2jha n THR 558 Ca -0.05 0.46 -0.20 0.00 -2.27 0.00 0.00 64.05 62.00 2jha n THR 558 Cb 0.15 -0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 67.55 2jha n THR 558 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2jha n LEU 559 N -3.24 1.89 -0.33 3.22 4.77 -1.11 -3.53 117.00 118.67 2jha n LEU 559 Ca 0.10 0.43 0.09 0.00 -0.03 0.00 0.00 56.01 56.60 2jha n LEU 559 Cb 0.37 -0.89 0.26 0.00 -2.33 0.00 0.00 43.42 40.84 2jha n LEU 559 CO 0.03 0.17 1.17 -0.03 -1.33 0.00 0.00 177.39 177.40 2jha h MET 560 N -1.00 0.75 -0.18 3.23 4.05 0.17 -2.73 114.93 119.21 2jha h MET 560 Ca -0.35 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 58.91 2jha h MET 560 Cb 1.22 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 2jha h MET 560 CO -0.21 0.49 -0.38 0.66 0.23 0.00 0.00 176.91 177.70 2jha h SER 561 N 0.77 0.41 -7.16 1.39 4.64 0.21 -3.46 113.55 110.35 2jha h SER 561 Ca 0.52 -0.17 -0.63 0.00 -0.47 0.00 0.00 61.79 61.04 2jha h SER 561 Cb 0.71 -0.11 -0.31 0.00 -0.31 0.00 0.00 62.40 62.37 2jha h SER 561 CO -0.35 0.75 -0.94 0.61 -0.87 0.00 0.00 176.83 176.04 2jha n GLY 562 N -0.17 -0.28 0.06 -0.77 0.00 -1.03 -4.77 105.19 98.24 2jha n GLY 562 Ca -0.01 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.16 2jha n GLY 562 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jha n ALA 563 N -4.29 2.28 -2.45 4.61 0.00 -1.26 -4.71 120.51 114.69 2jha n ALA 563 Ca -0.08 -0.66 -0.26 0.00 0.00 0.00 0.00 53.44 52.44 2jha n ALA 563 Cb 0.56 -0.73 -0.15 0.00 0.00 0.00 0.00 19.45 19.13 2jha n ALA 563 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2jha s TYR 564 N -3.14 1.82 -0.33 0.00 1.51 -1.26 -4.86 117.35 111.10 2jha s TYR 564 Ca -0.06 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 2jha s TYR 564 Cb 0.10 -1.14 0.10 0.00 -0.11 0.00 0.00 41.96 40.92 2jha s TYR 564 CO 0.85 0.02 0.10 0.08 -1.11 0.00 0.00 175.55 175.50 2jha s VAL 565 N -0.61 1.16 0.30 0.71 1.01 -1.26 -4.47 120.40 117.24 2jha s VAL 565 Ca 0.08 -1.68 0.06 0.00 0.00 0.00 0.00 61.98 60.44 2jha s VAL 565 Cb -0.08 -1.87 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 2jha s VAL 565 CO 0.00 -0.69 -0.02 0.28 0.00 0.00 0.00 175.10 174.67 2jha s THR 566 N 1.37 1.55 -0.91 3.92 -1.32 -1.25 -1.12 115.64 117.87 2jha s THR 566 Ca 0.11 -2.08 -0.22 0.00 -1.21 0.00 0.00 61.69 58.29 2jha s THR 566 Cb -0.18 -2.59 0.08 0.00 -1.51 0.00 0.00 72.50 68.30 2jha s THR 566 CO -0.20 -0.20 1.25 -0.62 -2.21 0.00 0.00 174.62 172.65 2jha s ASP 567 N -3.48 6.47 0.00 8.08 2.15 -1.25 -4.78 116.67 123.87 2jha s ASP 567 Ca 0.32 -1.50 0.00 0.00 0.43 0.00 0.00 52.55 51.80 2jha s ASP 567 Cb 0.06 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2jha s ASP 567 CO 0.13 -1.37 0.66 0.18 -0.17 0.00 0.00 175.17 174.61 2jha n LEU 568 N 7.93 0.00 -0.08 -1.34 4.77 -1.26 -1.31 117.00 125.71 2jha n LEU 568 Ca 0.22 0.66 -0.02 0.00 -0.03 0.00 0.00 56.01 56.84 2jha n LEU 568 Cb 0.49 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2jha n LEU 568 CO 0.61 -0.26 0.27 0.33 -1.33 0.00 0.00 177.39 177.00 2jha n PHE 569 N -2.15 -0.08 0.20 -1.77 -0.00 -1.26 0.12 117.46 112.52 2jha n PHE 569 Ca 0.00 0.22 -0.15 0.00 -0.00 0.00 0.00 57.45 57.53 2jha n PHE 569 Cb 0.00 -0.36 -0.07 0.00 -0.00 0.00 0.00 39.48 39.05 2jha n PHE 569 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.76 179.11 2jha h TRP 570 N 0.00 -0.70 -0.44 -5.13 7.01 -1.86 0.34 115.95 115.17 2jha h TRP 570 Ca 0.03 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.10 2jha h TRP 570 Cb 0.07 0.26 -0.09 0.00 -2.10 0.00 0.00 29.16 27.31 2jha h TRP 570 CO -0.53 -0.39 -0.46 2.35 -2.79 0.00 0.00 178.44 176.62 2jha h TRP 571 N -0.59 -1.35 0.00 2.65 7.01 -0.47 0.41 115.95 123.61 2jha h TRP 571 Ca -0.02 0.07 0.00 0.00 2.11 0.00 0.00 58.89 61.05 2jha h TRP 571 Cb 0.52 0.65 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 2jha h TRP 571 CO -0.15 -0.45 0.00 1.19 -2.79 0.00 0.00 178.44 176.25 2jha n PHE 572 N -5.41 0.00 0.15 2.65 3.72 0.31 -1.08 117.46 117.81 2jha n PHE 572 Ca -0.01 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.58 2jha n PHE 572 Cb 0.35 -0.48 0.73 0.00 -0.94 0.00 0.00 39.48 39.14 2jha n PHE 572 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2jha h LYS 573 N 0.00 0.00 -0.05 -1.08 3.64 0.10 0.70 116.57 119.88 2jha h LYS 573 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 2jha h LYS 573 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2jha h LYS 573 CO 0.00 0.00 -0.84 0.00 -2.27 0.00 0.00 179.45 176.34 2jha h MET 574 N 0.00 0.49 0.00 1.90 -0.00 0.14 -3.09 114.93 114.37 2jha h MET 574 Ca 0.15 -0.45 0.00 0.00 -0.00 0.00 0.00 59.70 59.40 2jha h MET 574 Cb 1.08 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 2jha h MET 574 CO -0.00 1.09 0.00 -0.89 -0.00 0.00 0.00 176.91 177.11 2jha n ILE 575 N -3.82 0.00 -0.08 -0.10 2.08 0.24 -1.71 119.36 115.98 2jha n ILE 575 Ca -0.06 1.36 -0.14 0.00 0.56 0.00 0.00 62.75 64.47 2jha n ILE 575 Cb 0.78 -2.35 -0.05 0.00 -0.75 0.00 0.00 39.64 37.27 2jha n ILE 575 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2jha h LEU 576 N 0.00 0.79 -0.30 1.39 3.38 -1.68 0.24 115.31 119.12 2jha h LEU 576 Ca 0.00 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.35 2jha h LEU 576 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2jha h LEU 576 CO 0.00 1.15 -0.50 0.44 0.09 0.00 0.00 178.44 179.62 2jha h ASP 577 N 0.45 0.00 0.00 -0.43 3.45 -1.72 -3.42 116.42 114.74 2jha h ASP 577 Ca 0.02 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.34 2jha h ASP 577 Cb 0.98 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.72 2jha h ASP 577 CO 0.09 0.50 -1.55 1.87 -1.57 0.00 0.00 179.24 178.58 2jha n TRP 578 N -3.33 0.00 -3.63 4.55 -0.00 -0.69 -4.82 117.44 109.51 2jha n TRP 578 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.24 2jha n TRP 578 Cb 0.68 -0.36 -0.16 0.00 -0.00 0.00 0.00 31.31 31.46 2jha n TRP 578 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 2jha s SER 579 N -5.17 2.81 0.78 5.87 1.04 0.82 -3.96 113.70 115.89 2jha s SER 579 Ca -0.13 -0.85 -0.03 0.00 0.48 0.00 0.00 55.95 55.41 2jha s SER 579 Cb 0.04 -0.38 0.15 0.00 0.10 0.00 0.00 66.02 65.93 2jha s SER 579 CO 0.21 -0.36 1.01 0.00 0.98 0.00 0.00 173.24 175.08 2jha n ALA 580 N 5.20 -0.14 -0.96 5.32 0.00 -1.26 -4.65 120.51 124.02 2jha n ALA 580 Ca -0.07 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.55 2jha n ALA 580 Cb 0.47 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.15 2jha n ALA 580 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jha n GLN 581 N -2.94 0.00 -3.89 0.00 6.02 -1.25 -4.83 117.38 110.48 2jha n GLN 581 Ca 0.16 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.98 2jha n GLN 581 Cb 0.56 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.66 2jha n GLN 581 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2jha s ASN 582 N -4.00 0.44 0.26 1.08 0.01 -1.26 -5.02 114.94 106.44 2jha s ASN 582 Ca 0.00 -0.02 -0.07 0.00 -0.71 0.00 0.00 52.86 52.07 2jha s ASN 582 Cb 0.00 -0.20 0.46 0.00 0.41 0.00 0.00 41.25 41.91 2jha s ASN 582 CO 0.00 -0.11 1.61 -0.09 -1.51 0.00 0.00 177.10 177.00 2jha h ARG 583 N 7.33 0.05 0.42 -0.60 2.43 -1.98 0.18 114.38 122.22 2jha h ARG 583 Ca -0.41 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 2jha h ARG 583 Cb 1.13 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2jha h ARG 583 CO 0.46 0.03 -0.20 0.93 -1.51 0.00 0.00 179.97 179.67 2jha h GLU 584 N 0.05 -0.55 0.00 0.20 4.39 -2.02 -3.33 114.58 113.33 2jha h GLU 584 Ca 0.44 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.17 2jha h GLU 584 Cb 0.76 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2jha h GLU 584 CO -0.78 -0.36 0.00 1.04 -1.16 0.00 0.00 179.01 177.74 2jha n GLN 585 N -3.69 0.14 -2.48 2.33 3.00 -1.08 -3.92 117.38 111.69 2jha n GLN 585 Ca -0.07 0.18 -0.29 0.00 -0.01 0.00 0.00 57.00 56.81 2jha n GLN 585 Cb 0.22 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 28.96 2jha n GLN 585 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 2jha n LYS 586 N -1.36 3.37 0.00 -1.09 2.85 0.62 -4.03 118.16 118.52 2jha n LYS 586 Ca 0.06 -4.45 0.00 0.00 -1.05 0.00 0.00 58.31 52.87 2jha n LYS 586 Cb 0.14 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.27 2jha n LYS 586 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2jha n LEU 587 N -0.45 0.00 0.00 -5.58 -0.00 -1.25 -4.46 117.00 105.26 2jha n LEU 587 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.41 2jha n LEU 587 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 2jha n LEU 587 CO 0.36 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.61 2jha n ARG 588 N 0.00 0.00 0.00 1.47 0.63 -1.26 -4.02 116.66 113.48 2jha n ARG 588 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jha n ARG 588 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 2jha n ARG 588 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2jha n ASP 589 N 1.88 0.00 -0.03 6.15 3.85 -1.26 0.17 116.55 127.31 2jha n ASP 589 Ca 0.00 -0.37 -0.02 0.00 -0.71 0.00 0.00 54.79 53.70 2jha n ASP 589 Cb 0.00 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 39.76 2jha n ASP 589 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 2jha h LEU 590 N 0.00 0.00 0.00 -2.12 4.07 -1.80 -3.36 115.31 112.11 2jha h LEU 590 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jha h LEU 590 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2jha h LEU 590 CO 0.00 0.35 0.00 1.17 -1.08 0.00 0.00 178.44 178.88 2jha n LYS 591 N -3.43 0.00 0.00 1.13 3.00 0.13 0.31 118.16 119.29 2jha n LYS 591 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 2jha n LYS 591 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.13 2jha n LYS 591 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2jha n ARG 592 N 0.00 0.00 -0.14 1.64 3.00 -1.26 -2.82 116.66 117.08 2jha n ARG 592 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 2jha n ARG 592 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 32.46 32.58 2jha n ARG 592 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2jha n SER 593 N 1.33 1.51 -2.38 6.15 7.64 0.91 -4.91 113.62 123.86 2jha n SER 593 Ca 0.00 -2.00 -0.05 0.00 1.01 0.00 0.00 58.87 57.83 2jha n SER 593 Cb 0.00 -0.19 -0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2jha n SER 593 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jha n ALA 594 N 0.32 -0.86 -1.65 -0.43 0.00 -0.67 -4.91 120.51 112.32 2jha n ALA 594 Ca 0.09 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 2jha n ALA 594 Cb 0.24 -0.87 0.18 0.00 0.00 0.00 0.00 19.45 19.01 2jha n ALA 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jha s ALA 595 N -2.18 1.78 0.02 0.00 0.00 -1.21 -5.05 121.76 115.13 2jha s ALA 595 Ca 0.00 -1.00 -0.28 0.00 0.00 0.00 0.00 51.96 50.68 2jha s ALA 595 Cb 0.00 -2.86 0.10 0.00 0.00 0.00 0.00 23.12 20.36 2jha s ALA 595 CO 0.00 -2.66 0.90 -1.83 0.00 0.00 0.00 175.76 172.17 2jha s GLU 596 N -5.65 0.88 0.35 0.00 -1.05 -1.26 -4.86 118.70 107.10 2jha s GLU 596 Ca 0.71 -0.36 0.03 0.00 -0.15 0.00 0.00 54.97 55.20 2jha s GLU 596 Cb -0.07 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 2jha s GLU 596 CO 0.53 -0.39 0.11 0.54 0.95 0.00 0.00 175.26 177.00 2jha s VAL 597 N -3.15 0.74 0.00 1.83 0.11 -1.26 0.13 120.40 118.79 2jha s VAL 597 Ca 0.06 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.11 2jha s VAL 597 Cb -0.01 -2.55 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 2jha s VAL 597 CO -0.07 0.00 0.00 -0.38 -3.33 0.00 0.00 175.10 171.32 2jha n ILE 598 N -0.74 0.00 -3.50 7.04 5.41 -1.26 -4.87 119.36 121.44 2jha n ILE 598 Ca -0.03 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.35 2jha n ILE 598 Cb 0.66 -0.14 -0.08 0.00 -0.71 0.00 0.00 39.64 39.37 2jha n ILE 598 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2jha s GLU 599 N -1.10 4.17 -0.35 0.38 -1.05 -1.26 -4.47 118.70 115.02 2jha s GLU 599 Ca 0.00 0.05 0.01 0.00 -0.15 0.00 0.00 54.97 54.88 2jha s GLU 599 Cb 0.00 -3.50 0.11 0.00 -0.44 0.00 0.00 34.13 30.30 2jha s GLU 599 CO 0.00 0.07 0.13 -0.46 0.95 0.00 0.00 175.26 175.95 2jha s TRP 600 N 1.00 2.12 0.00 4.83 -0.00 -1.26 -5.13 118.94 120.51 2jha s TRP 600 Ca 0.15 -2.14 0.00 0.00 -0.00 0.00 0.00 56.10 54.11 2jha s TRP 600 Cb -0.14 -1.97 0.00 0.00 -0.00 0.00 0.00 33.47 31.36 2jha s TRP 600 CO 0.06 -0.86 0.00 0.28 -0.00 0.00 0.00 176.95 176.43 2jha n VAL 611 N 4.38 0.00 -0.00 5.86 0.31 -1.26 -5.15 118.33 122.47 2jha n VAL 611 Ca 0.02 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.37 2jha n VAL 611 Cb 0.40 0.00 0.35 0.00 -0.91 0.00 0.00 33.84 33.68 2jha n VAL 611 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2jha h ARG 612 N 0.00 0.54 0.00 5.55 3.08 -2.01 -2.56 114.38 118.98 2jha h ARG 612 Ca 0.00 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2jha h ARG 612 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2jha h ARG 612 CO 0.00 0.47 -0.22 -2.95 -1.07 0.00 0.00 179.97 176.19 2jha h ASN 613 N 0.53 0.00 0.48 7.04 7.08 -2.01 -3.00 115.58 125.70 2jha h ASN 613 Ca 0.13 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.33 2jha h ASN 613 Cb 0.15 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.39 2jha h ASN 613 CO -0.01 0.22 -0.23 0.44 -2.08 0.00 0.00 177.43 175.77 2jha h ASP 614 N 0.00 -0.54 -0.62 6.14 5.19 -1.89 -3.31 116.42 121.39 2jha h ASP 614 Ca -0.00 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2jha h ASP 614 Cb 0.51 0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.12 2jha h ASP 614 CO 0.03 -0.15 0.40 -0.07 -3.12 0.00 0.00 179.24 176.34 2jha h LEU 615 N -1.12 0.69 -2.45 1.55 3.38 -1.56 -1.61 115.31 114.19 2jha h LEU 615 Ca -0.07 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2jha h LEU 615 Cb 0.49 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2jha h LEU 615 CO 0.11 0.50 0.06 0.16 0.09 0.00 0.00 178.44 179.35 2jha h ILE 616 N 0.82 0.46 -0.05 1.22 -0.00 -1.67 0.18 117.51 118.46 2jha h ILE 616 Ca 0.23 0.00 -0.13 0.00 -0.00 0.00 0.00 64.86 64.96 2jha h ILE 616 Cb -0.07 0.95 0.01 0.00 -0.00 0.00 0.00 36.82 37.71 2jha h ILE 616 CO -0.06 0.00 -0.49 0.00 -0.00 0.00 0.00 178.15 177.61 2jha h ALA 617 N 1.93 0.13 -0.69 0.16 0.00 -1.39 -2.45 119.26 116.94 2jha h ALA 617 Ca 0.02 -0.51 0.11 0.00 0.00 0.00 0.00 54.91 54.53 2jha h ALA 617 Cb 0.13 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.81 2jha h ALA 617 CO -0.00 0.31 -0.38 0.00 0.00 0.00 0.00 179.25 179.18 2jha h ALA 618 N 0.39 -0.08 0.33 0.00 0.00 -0.42 0.29 119.26 119.78 2jha h ALA 618 Ca -0.05 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2jha h ALA 618 Cb 1.16 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 2jha h ALA 618 CO 0.10 -0.71 -0.24 -0.07 0.00 0.00 0.00 179.25 178.33 2jha h LEU 619 N -0.14 -0.60 -0.37 0.00 -0.00 -1.40 0.11 115.31 112.91 2jha h LEU 619 Ca 0.24 0.04 0.07 0.00 -0.00 0.00 0.00 57.88 58.24 2jha h LEU 619 Cb 0.56 0.19 -0.09 0.00 -0.00 0.00 0.00 40.66 41.32 2jha h LEU 619 CO -0.76 -0.36 -0.36 0.03 -0.00 0.00 0.00 178.44 176.98 2jha h ARG 620 N -0.56 -0.29 -0.76 1.13 3.08 -0.71 -0.39 114.38 115.88 2jha h ARG 620 Ca -0.03 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.07 2jha h ARG 620 Cb 0.48 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 2jha h ARG 620 CO 0.01 -0.19 0.48 1.49 -1.07 0.00 0.00 179.97 180.69 2jha h GLU 621 N -0.30 0.92 0.26 0.04 4.57 -0.14 0.30 114.58 120.22 2jha h GLU 621 Ca 0.15 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2jha h GLU 621 Cb 0.56 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2jha h GLU 621 CO -0.53 0.61 -0.12 -0.92 -1.18 0.00 0.00 179.01 176.86 2jha h TYR 622 N 0.94 -0.32 0.00 0.92 3.20 0.82 -1.27 116.97 121.27 2jha h TYR 622 Ca 0.31 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.17 2jha h TYR 622 Cb 0.01 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2jha h TYR 622 CO -0.03 -0.16 0.00 0.36 -1.64 0.00 0.00 178.16 176.69 2jha n LYS 623 N -5.21 0.17 -0.25 1.82 2.85 -0.51 -1.32 118.16 115.70 2jha n LYS 623 Ca -0.10 0.27 -0.07 0.00 -1.05 0.00 0.00 58.31 57.36 2jha n LYS 623 Cb 0.18 -1.75 0.04 0.00 -0.65 0.00 0.00 35.03 32.85 2jha n LYS 623 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2jha h ARG 624 N 0.00 1.11 -0.00 -1.58 1.12 0.46 -2.52 114.38 112.97 2jha h ARG 624 Ca 0.00 -0.26 0.00 0.00 -1.11 0.00 0.00 59.98 58.61 2jha h ARG 624 Cb 0.50 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 2jha h ARG 624 CO 0.00 0.98 -0.02 1.63 -3.11 0.00 0.00 179.97 179.44 2jha n LYS 625 N -4.26 0.92 -2.94 0.20 5.02 -0.44 -4.48 118.16 112.18 2jha n LYS 625 Ca 0.05 -0.17 -0.04 0.00 -2.02 0.00 0.00 58.31 56.12 2jha n LYS 625 Cb 0.25 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.76 2jha n LYS 625 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jha s MET 626 N -2.20 0.98 1.02 1.97 0.23 -0.96 -5.09 119.30 115.25 2jha s MET 626 Ca 0.39 -0.91 -0.12 0.00 -1.03 0.00 0.00 55.69 54.02 2jha s MET 626 Cb 0.21 -0.11 0.20 0.00 -1.53 0.00 0.00 34.83 33.60 2jha s MET 626 CO 0.40 -1.29 1.08 0.20 -2.03 0.00 0.00 175.02 173.38 2jha s GLY 627 N 1.10 1.57 0.00 3.16 0.00 -1.12 -4.50 107.32 107.54 2jha s GLY 627 Ca 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.71 2jha s GLY 627 CO -0.06 0.34 0.00 1.03 0.00 0.00 0.00 173.10 174.41 2jha n MET 628 N -4.29 0.00 -0.11 2.90 2.81 -1.26 -4.19 117.12 112.98 2jha n MET 628 Ca 0.05 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.94 2jha n MET 628 Cb 0.56 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.07 2jha n MET 628 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2jha n ARG 629 N 0.00 0.21 0.00 0.03 0.63 -1.26 -4.51 116.66 111.76 2jha n ARG 629 Ca 0.00 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2jha n ARG 629 Cb 0.00 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.49 2jha n ARG 629 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2jha n GLU 630 N 2.00 -0.07 -2.71 -0.14 1.02 -1.26 -5.04 120.64 114.44 2jha n GLU 630 Ca 0.01 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 2jha n GLU 630 Cb 0.10 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.63 2jha n GLU 630 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jha n GLY 631 N -1.98 0.85 0.45 0.62 0.00 -1.26 -4.81 105.19 99.07 2jha n GLY 631 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2jha n GLY 631 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jha n ALA 632 N -0.20 0.00 0.00 4.61 0.00 -1.26 -2.47 120.51 121.19 2jha n ALA 632 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2jha n ALA 632 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.23 2jha n ALA 632 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jha n SER 633 N 0.00 0.00 0.00 0.00 2.88 -1.26 -2.78 113.62 112.46 2jha n SER 633 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jha n SER 633 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jha n SER 633 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2jha n ILE 634 N 0.00 0.00 -0.36 2.46 5.41 -1.03 -4.56 119.36 121.28 2jha n ILE 634 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 2jha n ILE 634 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 38.94 2jha n ILE 634 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2jha n ASP 635 N 5.49 -0.68 -0.25 4.38 9.92 -1.12 0.30 116.55 134.59 2jha n ASP 635 Ca 0.00 1.59 0.04 0.00 -0.53 0.00 0.00 54.79 55.89 2jha n ASP 635 Cb 0.00 -0.32 0.17 0.00 -0.64 0.00 0.00 41.12 40.33 2jha n ASP 635 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2jha h SER 636 N 0.00 0.32 -0.03 -2.24 0.87 -1.83 -1.96 113.55 108.68 2jha h SER 636 Ca 0.27 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.92 2jha h SER 636 Cb 0.50 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2jha h SER 636 CO -0.89 0.14 -0.04 -0.50 -0.53 0.00 0.00 176.83 175.02 2jha h TRP 637 N 0.48 0.08 -0.30 2.24 4.06 0.42 -3.13 115.95 119.81 2jha h TRP 637 Ca 0.40 -0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.35 2jha h TRP 637 Cb 0.56 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 28.64 2jha h TRP 637 CO -0.15 0.58 -0.43 -0.07 -3.56 0.00 0.00 178.44 174.81 2jha h LEU 638 N -0.44 -1.43 -0.94 -4.49 3.38 0.49 -2.05 115.31 109.83 2jha h LEU 638 Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2jha h LEU 638 Cb 0.57 0.58 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2jha h LEU 638 CO 0.01 -0.31 0.00 -0.62 0.09 0.00 0.00 178.44 177.61 2jha n GLU 639 N -4.75 0.45 0.00 1.13 1.02 -0.74 0.42 120.64 118.17 2jha n GLU 639 Ca -0.03 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.12 2jha n GLU 639 Cb 0.26 -1.21 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 2jha n GLU 639 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2jha n LEU 640 N 0.23 0.10 -0.07 -4.62 0.00 -0.77 -4.36 117.00 107.50 2jha n LEU 640 Ca 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 56.01 55.45 2jha n LEU 640 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.51 2jha n LEU 640 CO 0.00 0.02 -0.38 0.18 0.00 0.00 0.00 177.39 177.21 2jha n LEU 641 N -1.02 1.66 -2.13 -1.96 7.99 0.17 -1.38 117.00 120.34 2jha n LEU 641 Ca 0.00 0.53 -0.00 0.00 -0.01 0.00 0.00 56.01 56.53 2jha n LEU 641 Cb 0.03 -0.81 -0.00 0.00 -0.11 0.00 0.00 43.42 42.52 2jha n LEU 641 CO 0.03 -0.44 0.22 -2.11 -1.51 0.00 0.00 177.39 173.59 2jha n ARG 642 N -4.36 0.08 0.07 3.23 1.85 -1.02 -1.26 116.66 115.24 2jha n ARG 642 Ca -0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 2jha n ARG 642 Cb 0.29 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.21 2jha n ARG 642 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2jha n HIS 643 N 2.28 -2.54 -0.25 2.89 -0.00 -1.26 -4.89 115.22 111.45 2jha n HIS 643 Ca 0.01 0.45 0.00 0.00 0.46 0.00 0.00 57.72 58.64 2jha n HIS 643 Cb 0.04 1.37 0.00 0.00 -0.12 0.00 0.00 29.99 31.27 2jha n HIS 643 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69