#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vjx n ASP 29 N 0.00 -0.80 0.00 0.53 5.68 -1.26 -4.62 116.55 116.08 2vjx n ASP 29 Ca 0.00 -2.14 0.14 0.00 -0.50 0.00 0.00 54.79 52.29 2vjx n ASP 29 Cb 0.00 1.50 0.78 0.00 -1.14 0.00 0.00 41.12 42.26 2vjx n ASP 29 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2vjx n THR 30 N -0.35 0.05 -1.57 2.12 -2.24 0.29 -4.88 114.28 107.70 2vjx n THR 30 Ca 0.01 0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.48 2vjx n THR 30 Cb 0.35 -0.57 0.06 0.00 -2.10 0.00 0.00 70.33 68.08 2vjx n THR 30 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2vjx s SER 31 N -2.23 4.91 -0.12 3.42 1.04 -1.26 -4.88 113.70 114.58 2vjx s SER 31 Ca 0.36 1.91 0.02 0.00 0.48 0.00 0.00 55.95 58.72 2vjx s SER 31 Cb 0.19 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.77 2vjx s SER 31 CO 0.36 -1.77 -0.19 -0.70 0.98 0.00 0.00 173.24 171.93 2vjx s GLU 32 N -4.44 3.21 -0.14 4.02 2.12 -0.04 -4.99 118.70 118.44 2vjx s GLU 32 Ca 0.64 -0.79 -0.03 0.00 0.36 0.00 0.00 54.97 55.16 2vjx s GLU 32 Cb -0.19 -2.47 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 2vjx s GLU 32 CO 0.47 0.18 -0.06 0.08 -0.54 0.00 0.00 175.26 175.40 2vjx s VAL 33 N 0.38 3.74 -0.27 3.70 1.01 -1.26 -0.47 120.40 127.23 2vjx s VAL 33 Ca -0.14 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 2vjx s VAL 33 Cb -0.17 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.60 2vjx s VAL 33 CO 0.07 0.51 0.04 -0.32 0.00 0.00 0.00 175.10 175.39 2vjx s MET 34 N 0.25 3.18 -0.17 2.72 1.75 0.12 -4.97 119.30 122.19 2vjx s MET 34 Ca -0.04 -0.78 -0.29 0.00 -1.25 0.00 0.00 55.69 53.33 2vjx s MET 34 Cb -0.14 -3.24 -0.00 0.00 2.84 0.00 0.00 34.83 34.28 2vjx s MET 34 CO 0.03 -0.36 1.01 -0.51 -0.65 0.00 0.00 175.02 174.54 2vjx s LEU 35 N 1.49 4.17 -1.18 4.11 1.02 -1.26 -0.52 118.68 126.50 2vjx s LEU 35 Ca 0.03 1.42 -0.09 0.00 0.02 0.00 0.00 54.13 55.52 2vjx s LEU 35 Cb -0.16 -3.52 0.23 0.00 0.02 0.00 0.00 46.19 42.76 2vjx s LEU 35 CO 0.01 -0.55 1.52 0.18 0.02 0.00 0.00 176.35 177.53 2vjx n LEU 36 N 5.66 6.08 -0.07 1.79 4.77 -0.14 -4.65 117.00 130.44 2vjx n LEU 36 Ca 0.10 -4.86 0.03 0.00 -0.03 0.00 0.00 56.01 51.26 2vjx n LEU 36 Cb 0.47 -1.45 0.04 0.00 -2.33 0.00 0.00 43.42 40.16 2vjx n LEU 36 CO 0.52 1.34 0.46 -0.90 -1.33 0.00 0.00 177.39 177.47 2vjx n ASP 37 N 3.23 1.63 -4.06 -1.43 5.75 -1.26 -4.57 116.55 115.84 2vjx n ASP 37 Ca 0.32 -2.21 -0.09 0.00 -0.01 0.00 0.00 54.79 52.80 2vjx n ASP 37 Cb 0.37 -0.16 -0.09 0.00 -1.03 0.00 0.00 41.12 40.21 2vjx n ASP 37 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2vjx s THR 38 N -1.36 0.14 -0.04 2.12 -4.23 -1.26 -4.57 115.64 106.43 2vjx s THR 38 Ca 0.10 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2vjx s THR 38 Cb 0.09 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 72.17 2vjx s THR 38 CO 0.01 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 2vjx n GLY 39 N -0.05 0.46 3.84 3.99 0.00 -1.26 -4.89 105.19 107.27 2vjx n GLY 39 Ca -0.10 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 2vjx n GLY 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2vjx s TRP 40 N -2.00 3.39 0.11 1.61 0.52 -1.26 -4.45 118.94 116.85 2vjx s TRP 40 Ca 0.00 1.34 0.04 0.00 0.02 0.00 0.00 56.10 57.50 2vjx s TRP 40 Cb 0.00 -2.63 -0.04 0.00 -1.15 0.00 0.00 33.47 29.66 2vjx s TRP 40 CO 0.00 0.07 -0.11 -1.21 0.02 0.00 0.00 176.95 175.72 2vjx s GLU 41 N -2.91 0.90 0.17 4.98 2.02 0.12 -0.99 118.70 122.98 2vjx s GLU 41 Ca 0.55 -1.20 0.03 0.00 0.02 0.00 0.00 54.97 54.36 2vjx s GLU 41 Cb -0.11 -0.60 -0.05 0.00 0.10 0.00 0.00 34.13 33.47 2vjx s GLU 41 CO 0.17 0.10 -0.03 -0.59 0.02 0.00 0.00 175.26 174.92 2vjx s PHE 42 N -2.49 1.25 -0.16 1.61 -0.12 0.35 -0.91 117.98 117.51 2vjx s PHE 42 Ca 0.07 -0.93 -0.11 0.00 -0.05 0.00 0.00 56.93 55.91 2vjx s PHE 42 Cb -0.03 -0.70 0.05 0.00 -0.63 0.00 0.00 43.02 41.71 2vjx s PHE 42 CO 0.01 -0.10 0.41 0.45 -0.05 0.00 0.00 175.22 175.93 2vjx s SER 43 N -3.18 -0.48 0.00 1.98 0.15 0.04 -1.30 113.70 110.91 2vjx s SER 43 Ca 0.22 0.87 -0.30 0.00 0.70 0.00 0.00 55.95 57.43 2vjx s SER 43 Cb 0.05 0.80 -0.07 0.00 -1.71 0.00 0.00 66.02 65.09 2vjx s SER 43 CO 0.03 -0.17 1.80 -1.58 1.20 0.00 0.00 173.24 174.52 2vjx s GLN 44 N 0.89 4.16 0.30 5.44 0.74 -1.26 -0.80 119.66 129.13 2vjx s GLN 44 Ca -0.05 2.40 -0.30 0.00 0.05 0.00 0.00 55.36 57.46 2vjx s GLN 44 Cb -0.06 -4.02 -0.13 0.00 1.10 0.00 0.00 33.01 29.91 2vjx s GLN 44 CO -0.07 -0.88 1.39 0.43 -0.55 0.00 0.00 175.29 175.60 2vjx n SER 45 N 7.13 2.95 0.00 6.67 7.64 0.24 -2.02 113.62 136.24 2vjx n SER 45 Ca 0.18 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.24 2vjx n SER 45 Cb 0.42 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 2vjx n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vjx n GLY 46 N 1.49 1.08 0.09 0.23 0.00 -1.26 -4.83 105.19 101.98 2vjx n GLY 46 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.16 2vjx n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vjx n THR 47 N -2.00 0.78 -1.00 2.61 -2.24 -0.86 -4.95 114.28 106.62 2vjx n THR 47 Ca 0.00 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2vjx n THR 47 Cb 0.00 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 2vjx n THR 47 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2vjx n GLU 48 N -2.69 -1.70 -3.68 -0.78 -0.58 -1.26 -4.96 120.64 104.98 2vjx n GLU 48 Ca -0.06 0.42 -0.37 0.00 -0.42 0.00 0.00 57.16 56.73 2vjx n GLU 48 Cb 0.70 -4.70 -0.11 0.00 -0.57 0.00 0.00 31.44 26.76 2vjx n GLU 48 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2vjx s LYS 49 N -1.70 3.92 0.01 3.49 2.20 -1.26 -5.08 119.74 121.32 2vjx s LYS 49 Ca 0.00 -0.34 0.05 0.00 -0.36 0.00 0.00 55.97 55.31 2vjx s LYS 49 Cb 0.00 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 2vjx s LYS 49 CO 0.00 -0.07 -0.11 -1.58 -0.36 0.00 0.00 175.35 173.23 2vjx s TRP 50 N 1.41 2.76 0.05 4.03 0.52 -1.26 -4.35 118.94 122.10 2vjx s TRP 50 Ca 0.07 -0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.07 2vjx s TRP 50 Cb -0.15 -1.56 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 2vjx s TRP 50 CO 0.07 0.32 -0.05 -1.64 0.02 0.00 0.00 176.95 175.67 2vjx s MET 51 N -1.38 0.58 0.32 4.98 -1.94 -0.42 -4.94 119.30 116.50 2vjx s MET 51 Ca 0.16 -1.02 -0.28 0.00 -1.71 0.00 0.00 55.69 52.84 2vjx s MET 51 Cb -0.11 -0.02 -0.13 0.00 2.01 0.00 0.00 34.83 36.58 2vjx s MET 51 CO 0.06 -0.04 1.23 -2.30 -0.01 0.00 0.00 175.02 173.96 2vjx n PRO 52 N 0.69 1.91 -4.47 2.03 -0.02 -1.26 -0.50 135.00 133.38 2vjx n PRO 52 Ca -0.18 0.67 -0.23 0.00 -2.02 0.00 0.00 63.50 61.75 2vjx n PRO 52 Cb 0.58 -2.20 -0.11 0.00 -0.02 0.00 0.00 33.50 31.75 2vjx n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vjx s ALA 53 N -0.98 2.52 -0.15 3.55 0.00 -0.16 -4.69 121.76 121.84 2vjx s ALA 53 Ca 0.58 -2.01 0.02 0.00 0.00 0.00 0.00 51.96 50.54 2vjx s ALA 53 Cb -0.61 0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2vjx s ALA 53 CO 0.60 -0.12 -0.21 0.99 0.00 0.00 0.00 175.76 177.02 2vjx s THR 54 N -3.00 2.07 -0.05 0.00 2.01 -1.26 -4.41 115.64 111.00 2vjx s THR 54 Ca 0.32 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.38 2vjx s THR 54 Cb 0.06 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.74 2vjx s THR 54 CO 0.14 0.55 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.82 2vjx s VAL 55 N 0.99 0.96 0.70 3.82 1.01 -1.26 -3.12 120.40 123.49 2vjx s VAL 55 Ca -0.03 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 2vjx s VAL 55 Cb -0.15 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.37 2vjx s VAL 55 CO -0.06 0.31 1.27 -2.84 0.00 0.00 0.00 175.10 173.77 2vjx s PRO 56 N 0.52 2.27 0.00 2.72 0.02 -1.26 -4.60 135.00 134.68 2vjx s PRO 56 Ca -0.10 1.97 0.00 0.00 0.02 0.00 0.00 61.00 62.89 2vjx s PRO 56 Cb -0.13 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.56 2vjx s PRO 56 CO 0.02 -1.79 0.00 0.41 -0.33 0.00 0.00 177.00 175.31 2vjx n GLY 57 N 0.77 -0.68 3.03 0.52 0.00 -0.25 -4.99 105.19 103.59 2vjx n GLY 57 Ca 0.15 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 2vjx n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vjx s THR 58 N -3.00 0.14 0.21 2.61 -4.23 -1.26 -3.80 115.64 106.30 2vjx s THR 58 Ca 0.00 -1.13 -0.10 0.00 -1.18 0.00 0.00 61.69 59.28 2vjx s THR 58 Cb 0.00 -0.63 0.15 0.00 1.34 0.00 0.00 72.50 73.36 2vjx s THR 58 CO 0.00 -0.62 1.71 0.58 -0.54 0.00 0.00 174.62 175.75 2vjx h VAL 59 N 4.17 0.66 -0.41 2.29 2.07 -1.59 -1.74 116.25 121.70 2vjx h VAL 59 Ca -0.32 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2vjx h VAL 59 Cb 1.19 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2vjx h VAL 59 CO 0.48 0.05 0.13 0.45 0.02 0.00 0.00 177.57 178.70 2vjx h HIS 60 N 0.26 0.65 -0.63 1.57 3.86 -1.97 -1.25 115.15 117.64 2vjx h HIS 60 Ca 0.30 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 2vjx h HIS 60 Cb 0.44 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 2vjx h HIS 60 CO -0.24 0.60 0.31 0.37 0.86 0.00 0.00 177.93 179.83 2vjx h GLN 61 N 0.51 0.90 -0.76 2.45 5.75 -1.92 0.53 115.11 122.58 2vjx h GLN 61 Ca 0.13 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 2vjx h GLN 61 Cb 0.25 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 2vjx h GLN 61 CO -0.01 0.71 0.46 -0.44 -2.65 0.00 0.00 178.83 176.91 2vjx h ASP 62 N 0.86 0.74 -0.07 -0.69 3.32 -1.01 0.14 116.42 119.71 2vjx h ASP 62 Ca 0.22 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 2vjx h ASP 62 Cb 0.10 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2vjx h ASP 62 CO -0.03 0.49 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.91 2vjx h LEU 63 N 0.87 0.13 -0.72 1.55 3.38 -0.94 -2.98 115.31 116.60 2vjx h LEU 63 Ca 0.32 -0.31 0.13 0.00 0.09 0.00 0.00 57.88 58.10 2vjx h LEU 63 Cb 0.11 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 2vjx h LEU 63 CO -0.15 0.41 0.28 0.40 0.09 0.00 0.00 178.44 179.47 2vjx h ILE 64 N -0.16 0.69 0.00 1.22 2.04 -0.44 -0.09 117.51 120.77 2vjx h ILE 64 Ca 0.02 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2vjx h ILE 64 Cb 0.35 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2vjx h ILE 64 CO 0.00 0.08 -0.00 0.77 0.00 0.00 0.00 178.15 179.00 2vjx h SER 65 N 0.44 0.00 -0.46 1.72 4.64 -0.66 -1.78 113.55 117.45 2vjx h SER 65 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2vjx h SER 65 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2vjx h SER 65 CO -0.38 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.00 2vjx n HIS 66 N -3.15 0.85 -2.41 4.77 8.25 -0.21 -4.95 115.22 118.37 2vjx n HIS 66 Ca -0.03 -0.59 -0.18 0.00 -0.26 0.00 0.00 57.72 56.67 2vjx n HIS 66 Cb 0.10 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 2vjx n HIS 66 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2vjx n GLU 67 N 0.66 -1.85 0.00 -0.41 1.02 -0.67 -4.86 120.64 114.53 2vjx n GLU 67 Ca 0.18 0.89 0.13 0.00 -0.02 0.00 0.00 57.16 58.34 2vjx n GLU 67 Cb 0.64 -5.53 0.25 0.00 -0.02 0.00 0.00 31.44 26.77 2vjx n GLU 67 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2vjx n LEU 68 N -2.95 2.01 -3.99 -4.62 4.77 -0.27 -4.85 117.00 107.10 2vjx n LEU 68 Ca -0.22 -0.67 -0.10 0.00 -0.03 0.00 0.00 56.01 54.99 2vjx n LEU 68 Cb 0.66 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.62 2vjx n LEU 68 CO 0.25 0.35 -0.37 -0.76 -1.33 0.00 0.00 177.39 175.53 2vjx s LEU 69 N -2.19 2.24 0.84 2.23 1.43 -1.23 -4.88 118.68 117.12 2vjx s LEU 69 Ca 0.28 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 2vjx s LEU 69 Cb 0.20 0.05 0.10 0.00 0.03 0.00 0.00 46.19 46.57 2vjx s LEU 69 CO 0.41 -0.28 1.10 -2.16 0.23 0.00 0.00 176.35 175.65 2vjx s PRO 70 N -1.45 1.69 -0.19 1.29 0.04 -1.26 -4.56 135.00 130.56 2vjx s PRO 70 Ca -0.15 0.60 -0.28 0.00 0.04 0.00 0.00 61.00 61.21 2vjx s PRO 70 Cb -0.10 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 2vjx s PRO 70 CO -0.01 -1.89 2.13 1.21 0.04 0.00 0.00 177.00 178.49 2vjx s ASN 71 N -3.82 5.66 0.57 6.66 3.84 -1.26 -4.82 114.94 121.77 2vjx s ASN 71 Ca 0.62 1.95 0.32 0.00 0.21 0.00 0.00 52.86 55.96 2vjx s ASN 71 Cb -0.15 -2.52 1.75 0.00 -0.55 0.00 0.00 41.25 39.79 2vjx s ASN 71 CO 0.55 -1.79 2.18 1.55 -2.79 0.00 0.00 177.10 176.79 2vjx h PRO 72 N 14.13 0.00 -0.00 0.43 0.13 -1.91 -1.99 132.00 142.79 2vjx h PRO 72 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2vjx h PRO 72 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2vjx h PRO 72 CO 0.96 0.05 -0.32 1.19 -0.23 0.00 0.00 178.00 179.66 2vjx n PHE 73 N -3.54 0.00 -3.08 1.56 3.72 -1.26 -3.99 117.46 110.87 2vjx n PHE 73 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.98 2vjx n PHE 73 Cb 0.16 -0.20 -0.05 0.00 -0.94 0.00 0.00 39.48 38.45 2vjx n PHE 73 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2vjx s TYR 74 N -2.72 3.70 0.00 1.38 5.04 -0.75 -4.72 117.35 119.27 2vjx s TYR 74 Ca 0.19 1.33 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 2vjx s TYR 74 Cb 0.19 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.77 2vjx s TYR 74 CO 0.58 0.29 0.00 0.41 -1.34 0.00 0.00 175.55 175.49 2vjx n GLY 75 N 2.49 3.66 1.78 8.97 0.00 0.37 -1.75 105.19 120.71 2vjx n GLY 75 Ca -0.04 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.11 2vjx n GLY 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2vjx n MET 76 N 14.00 4.50 0.11 1.61 2.81 -1.26 -4.69 117.12 134.20 2vjx n MET 76 Ca 0.00 -3.00 0.12 0.00 -1.81 0.00 0.00 57.70 53.01 2vjx n MET 76 Cb 0.00 -2.15 0.46 0.00 -0.71 0.00 0.00 33.22 30.82 2vjx n MET 76 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2vjx n ASN 77 N 0.75 0.62 -0.13 7.83 3.02 -0.72 -3.54 115.26 123.09 2vjx n ASN 77 Ca 0.27 0.62 -0.04 0.00 -0.03 0.00 0.00 54.58 55.40 2vjx n ASN 77 Cb 1.09 -0.77 0.04 0.00 -0.61 0.00 0.00 39.78 39.54 2vjx n ASN 77 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2vjx h GLU 78 N 0.00 0.14 -0.08 3.52 4.81 -1.82 -0.94 114.58 120.21 2vjx h GLU 78 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2vjx h GLU 78 Cb 0.45 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2vjx h GLU 78 CO 0.00 0.09 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.05 2vjx h LYS 79 N 0.15 0.11 0.00 1.92 3.64 -1.95 -2.95 116.57 117.49 2vjx h LYS 79 Ca 0.22 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2vjx h LYS 79 Cb 0.30 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2vjx h LYS 79 CO -0.33 0.22 0.00 1.63 -2.27 0.00 0.00 179.45 178.70 2vjx n LYS 80 N -4.36 0.04 0.00 1.90 5.02 -0.38 -3.18 118.16 117.20 2vjx n LYS 80 Ca -0.02 0.11 0.03 0.00 -2.02 0.00 0.00 58.31 56.42 2vjx n LYS 80 Cb 0.21 -1.55 0.02 0.00 -0.02 0.00 0.00 35.03 33.69 2vjx n LYS 80 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2vjx n ILE 81 N -1.63 0.00 0.29 -0.18 -5.35 -1.09 -4.66 119.36 106.74 2vjx n ILE 81 Ca 0.06 -0.49 0.15 0.00 -0.27 0.00 0.00 62.75 62.20 2vjx n ILE 81 Cb 0.30 1.14 0.87 0.00 -1.74 0.00 0.00 39.64 40.21 2vjx n ILE 81 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2vjx h GLN 82 N 1.27 0.00 -0.43 6.28 1.08 -1.56 -3.09 115.11 118.66 2vjx h GLN 82 Ca 0.00 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 2vjx h GLN 82 Cb 0.28 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 2vjx h GLN 82 CO 0.00 0.05 0.30 0.11 -0.95 0.00 0.00 178.83 178.34 2vjx h TRP 83 N 0.00 0.18 -0.71 2.96 5.08 -1.83 -2.90 115.95 118.73 2vjx h TRP 83 Ca -0.00 0.00 0.13 0.00 1.08 0.00 0.00 58.89 60.10 2vjx h TRP 83 Cb 0.15 -0.06 -0.09 0.00 -3.00 0.00 0.00 29.16 26.16 2vjx h TRP 83 CO 0.00 0.09 0.26 0.28 -1.28 0.00 0.00 178.44 177.79 2vjx h VAL 84 N 0.17 0.67 0.00 0.12 2.07 -1.92 -1.85 116.25 115.52 2vjx h VAL 84 Ca 0.20 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2vjx h VAL 84 Cb 0.57 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2vjx h VAL 84 CO -0.03 0.08 0.00 1.05 0.02 0.00 0.00 177.57 178.69 2vjx h GLU 85 N 0.41 0.00 -0.00 1.57 4.11 -1.72 -2.01 114.58 116.94 2vjx h GLU 85 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 2vjx h GLU 85 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2vjx h GLU 85 CO -0.39 0.00 -0.72 0.09 0.07 0.00 0.00 179.01 178.06 2vjx n ASN 86 N -2.46 0.77 -4.93 3.06 5.03 -0.69 -4.29 115.26 111.75 2vjx n ASN 86 Ca -0.01 -0.63 -0.26 0.00 0.87 0.00 0.00 54.58 54.55 2vjx n ASN 86 Cb 0.10 0.59 -0.02 0.00 -1.02 0.00 0.00 39.78 39.42 2vjx n ASN 86 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2vjx s GLU 87 N -2.97 3.51 0.26 3.52 0.41 -0.76 -4.87 118.70 117.80 2vjx s GLU 87 Ca 0.10 -0.35 -0.03 0.00 -0.41 0.00 0.00 54.97 54.28 2vjx s GLU 87 Cb 0.17 -2.77 -0.05 0.00 -1.78 0.00 0.00 34.13 29.70 2vjx s GLU 87 CO 0.77 0.30 0.49 -0.51 -0.49 0.00 0.00 175.26 175.82 2vjx s ASP 88 N -3.53 6.41 -0.03 -0.19 1.01 -1.26 -3.92 116.67 115.17 2vjx s ASP 88 Ca 0.39 0.57 0.01 0.00 0.71 0.00 0.00 52.55 54.23 2vjx s ASP 88 Cb -0.10 -2.08 0.02 0.00 1.01 0.00 0.00 42.92 41.76 2vjx s ASP 88 CO 0.31 -0.14 -0.03 0.26 0.21 0.00 0.00 175.17 175.78 2vjx s TRP 89 N -2.02 0.50 -0.02 4.23 0.52 -0.62 -0.59 118.94 120.94 2vjx s TRP 89 Ca 0.41 -0.09 0.05 0.00 0.02 0.00 0.00 56.10 56.49 2vjx s TRP 89 Cb -0.11 -0.45 -0.03 0.00 -1.15 0.00 0.00 33.47 31.74 2vjx s TRP 89 CO 0.30 -0.11 -0.15 -1.21 0.02 0.00 0.00 176.95 175.80 2vjx s GLU 90 N 0.59 2.38 0.04 4.98 2.02 0.02 -0.05 118.70 128.69 2vjx s GLU 90 Ca -0.07 -0.78 0.08 0.00 0.02 0.00 0.00 54.97 54.22 2vjx s GLU 90 Cb -0.10 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 2vjx s GLU 90 CO -0.01 0.60 -0.22 0.71 0.02 0.00 0.00 175.26 176.36 2vjx s TYR 91 N -0.80 1.97 -0.01 1.61 2.02 0.13 -0.78 117.35 121.49 2vjx s TYR 91 Ca 0.13 -0.38 -0.08 0.00 -0.37 0.00 0.00 57.07 56.36 2vjx s TYR 91 Cb -0.11 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.28 2vjx s TYR 91 CO 0.02 0.09 0.17 -0.98 -1.57 0.00 0.00 175.55 173.29 2vjx s ARG 92 N -1.14 0.46 0.12 -0.62 1.70 -0.09 -0.03 118.95 119.36 2vjx s ARG 92 Ca 0.09 -0.25 -0.10 0.00 -0.47 0.00 0.00 55.73 54.99 2vjx s ARG 92 Cb -0.09 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.49 2vjx s ARG 92 CO 0.02 -0.11 0.26 -0.08 -1.08 0.00 0.00 175.30 174.31 2vjx s THR 93 N -1.11 0.10 -0.00 4.99 -1.32 -0.28 -0.71 115.64 117.30 2vjx s THR 93 Ca -0.12 -1.16 0.02 0.00 -1.21 0.00 0.00 61.69 59.22 2vjx s THR 93 Cb -0.06 -1.51 -0.01 0.00 -1.51 0.00 0.00 72.50 69.42 2vjx s THR 93 CO 0.02 -0.46 -0.08 -0.94 -2.21 0.00 0.00 174.62 170.94 2vjx s SER 94 N -2.89 0.95 0.08 8.08 1.04 -1.26 -0.63 113.70 119.06 2vjx s SER 94 Ca 0.09 -0.17 -0.06 0.00 0.48 0.00 0.00 55.95 56.30 2vjx s SER 94 Cb 0.04 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 2vjx s SER 94 CO -0.07 0.08 0.11 0.72 0.98 0.00 0.00 173.24 175.06 2vjx s PHE 95 N -0.25 0.32 -0.13 5.02 -0.12 -0.85 -4.95 117.98 117.02 2vjx s PHE 95 Ca 0.03 -0.79 -0.06 0.00 -0.05 0.00 0.00 56.93 56.05 2vjx s PHE 95 Cb -0.03 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 2vjx s PHE 95 CO -0.00 -0.49 0.09 0.42 -0.05 0.00 0.00 175.22 175.19 2vjx s ILE 96 N -3.89 5.08 -0.05 -4.49 -1.09 -1.26 -0.73 121.20 114.77 2vjx s ILE 96 Ca 0.07 0.05 0.06 0.00 -2.23 0.00 0.00 60.65 58.60 2vjx s ILE 96 Cb 0.06 -3.22 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 2vjx s ILE 96 CO -0.10 0.57 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.27 2vjx s VAL 97 N -0.63 1.87 0.53 2.92 1.01 -0.00 -4.96 120.40 121.14 2vjx s VAL 97 Ca 0.12 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2vjx s VAL 97 Cb -0.12 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.68 2vjx s VAL 97 CO 0.02 0.52 0.80 -0.94 0.00 0.00 0.00 175.10 175.51 2vjx s SER 98 N -0.12 5.64 0.32 3.32 1.04 -1.26 0.05 113.70 122.69 2vjx s SER 98 Ca -0.03 0.47 0.03 0.00 0.48 0.00 0.00 55.95 56.90 2vjx s SER 98 Cb -0.13 -1.55 0.62 0.00 0.10 0.00 0.00 66.02 65.06 2vjx s SER 98 CO 0.03 -0.94 1.89 -0.08 0.98 0.00 0.00 173.24 175.13 2vjx h GLU 99 N 0.07 0.89 -0.28 4.02 4.81 -1.97 -1.37 114.58 120.75 2vjx h GLU 99 Ca -0.45 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.62 2vjx h GLU 99 Cb 1.26 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2vjx h GLU 99 CO 0.59 0.59 -0.22 0.93 -0.73 0.00 0.00 179.01 180.17 2vjx h GLU 100 N 0.92 0.64 -0.43 1.92 3.07 -1.98 -2.44 114.58 116.28 2vjx h GLU 100 Ca 0.42 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 58.92 2vjx h GLU 100 Cb 0.38 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 2vjx h GLU 100 CO -0.18 0.91 0.10 1.96 -1.40 0.00 0.00 179.01 180.40 2vjx h GLN 101 N 0.38 0.70 0.00 2.33 4.20 -1.89 -2.43 115.11 118.39 2vjx h GLN 101 Ca 0.05 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2vjx h GLN 101 Cb 0.77 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2vjx h GLN 101 CO 0.06 0.71 0.00 1.25 -0.67 0.00 0.00 178.83 180.18 2vjx h LEU 102 N 0.57 0.00 -0.96 1.46 5.85 -1.18 -0.88 115.31 120.16 2vjx h LEU 102 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2vjx h LEU 102 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2vjx h LEU 102 CO 0.00 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 178.69 2vjx n ASN 103 N -2.88 1.49 -4.76 1.25 3.02 -0.92 -4.90 115.26 107.56 2vjx n ASN 103 Ca -0.02 -1.51 -0.32 0.00 -0.03 0.00 0.00 54.58 52.70 2vjx n ASN 103 Cb 0.10 -0.01 0.08 0.00 -0.61 0.00 0.00 39.78 39.34 2vjx n ASN 103 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2vjx s ARG 104 N -1.98 2.39 0.31 3.52 1.81 -0.34 -4.93 118.95 119.72 2vjx s ARG 104 Ca 0.38 1.28 0.02 0.00 -1.72 0.00 0.00 55.73 55.69 2vjx s ARG 104 Cb 0.21 -1.91 0.49 0.00 -0.45 0.00 0.00 34.95 33.29 2vjx s ARG 104 CO 0.33 -1.56 1.83 -0.44 -0.68 0.00 0.00 175.30 174.78 2vjx h ASP 105 N -0.73 0.61 -5.01 0.23 3.32 -1.71 -3.45 116.42 109.68 2vjx h ASP 105 Ca -0.45 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 56.36 2vjx h ASP 105 Cb 1.24 -0.16 -0.19 0.00 0.22 0.00 0.00 39.33 40.44 2vjx h ASP 105 CO 0.52 0.67 -0.32 -0.83 -1.72 0.00 0.00 179.24 177.56 2vjx s GLY 106 N -3.78 -0.10 -0.09 2.75 0.00 -0.78 -4.85 107.32 100.46 2vjx s GLY 106 Ca -0.08 0.14 -0.04 0.00 0.00 0.00 0.00 44.72 44.73 2vjx s GLY 106 CO 0.78 -0.06 0.19 -0.42 0.00 0.00 0.00 173.10 173.60 2vjx s ILE 107 N -1.66 -0.21 -0.06 0.90 1.01 -1.26 -1.06 121.20 118.86 2vjx s ILE 107 Ca -0.12 0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.86 2vjx s ILE 107 Cb -0.04 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.09 2vjx s ILE 107 CO 0.02 0.11 -0.25 -1.10 0.00 0.00 0.00 174.94 173.72 2vjx s GLN 108 N 1.88 2.62 -0.21 2.79 -0.21 -0.33 -0.24 119.66 125.95 2vjx s GLN 108 Ca -0.02 -0.90 -0.10 0.00 0.02 0.00 0.00 55.36 54.35 2vjx s GLN 108 Cb -0.12 -2.19 -0.05 0.00 1.00 0.00 0.00 33.01 31.66 2vjx s GLN 108 CO -0.07 0.36 0.15 -1.17 -2.12 0.00 0.00 175.29 172.44 2vjx s LEU 109 N -0.11 4.18 -0.13 2.90 2.96 0.52 -0.55 118.68 128.45 2vjx s LEU 109 Ca -0.05 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 2vjx s LEU 109 Cb -0.14 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.45 2vjx s LEU 109 CO 0.04 0.13 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.41 2vjx s ILE 110 N 0.64 1.65 -0.32 6.68 1.01 0.40 -0.38 121.20 130.88 2vjx s ILE 110 Ca 0.08 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 2vjx s ILE 110 Cb -0.12 -1.51 0.03 0.00 0.01 0.00 0.00 42.46 40.87 2vjx s ILE 110 CO 0.01 0.47 0.08 -0.36 0.00 0.00 0.00 174.94 175.14 2vjx s PHE 111 N 1.13 3.21 -0.73 3.97 0.08 -0.17 -1.47 117.98 124.01 2vjx s PHE 111 Ca -0.02 -1.31 0.23 0.00 0.12 0.00 0.00 56.93 55.95 2vjx s PHE 111 Cb -0.14 -2.25 0.90 0.00 -0.57 0.00 0.00 43.02 40.95 2vjx s PHE 111 CO -0.05 -0.69 1.70 0.39 -0.10 0.00 0.00 175.22 176.48 2vjx n GLU 112 N 4.81 0.14 -3.41 0.44 1.02 -0.62 -0.61 120.64 122.41 2vjx n GLU 112 Ca -0.13 0.28 0.02 0.00 -0.02 0.00 0.00 57.16 57.31 2vjx n GLU 112 Cb 0.46 -1.72 -0.05 0.00 -0.02 0.00 0.00 31.44 30.11 2vjx n GLU 112 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2vjx s GLY 113 N -3.36 0.33 -0.11 0.62 0.00 -1.26 -4.31 107.32 99.23 2vjx s GLY 113 Ca 0.08 3.61 0.01 0.00 0.00 0.00 0.00 44.72 48.42 2vjx s GLY 113 CO 0.43 3.08 -0.11 1.08 0.00 0.00 0.00 173.10 177.58 2vjx s LEU 114 N 1.68 1.48 -0.50 0.66 1.43 -1.26 -2.08 118.68 120.08 2vjx s LEU 114 Ca -0.04 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 2vjx s LEU 114 Cb -0.02 -0.97 0.13 0.00 0.03 0.00 0.00 46.19 45.35 2vjx s LEU 114 CO -0.14 -0.06 0.37 -0.62 0.23 0.00 0.00 176.35 176.13 2vjx s ASP 115 N 1.36 5.68 0.07 2.29 -1.08 -0.05 -3.77 116.67 121.17 2vjx s ASP 115 Ca -0.00 -2.08 0.00 0.00 -0.52 0.00 0.00 52.55 49.95 2vjx s ASP 115 Cb -0.14 -1.99 0.00 0.00 -1.46 0.00 0.00 42.92 39.34 2vjx s ASP 115 CO -0.06 -0.64 0.00 0.41 0.52 0.00 0.00 175.17 175.40 2vjx n THR 116 N 4.66 0.00 -3.04 1.71 -1.04 -1.26 -0.56 114.28 114.76 2vjx n THR 116 Ca -0.04 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.52 2vjx n THR 116 Cb 0.41 -0.52 -0.03 0.00 -1.82 0.00 0.00 70.33 68.37 2vjx n THR 116 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2vjx s TYR 117 N -2.00 3.14 -0.12 -1.42 2.02 -1.26 -3.24 117.35 114.47 2vjx s TYR 117 Ca 0.00 -1.27 0.02 0.00 -0.37 0.00 0.00 57.07 55.45 2vjx s TYR 117 Cb 0.00 -4.13 0.01 0.00 -0.40 0.00 0.00 41.96 37.45 2vjx s TYR 117 CO 0.00 -1.37 -0.16 0.00 -1.57 0.00 0.00 175.55 172.45 2vjx s ALA 118 N 2.43 1.79 -0.25 3.71 0.00 -1.03 -1.05 121.76 127.36 2vjx s ALA 118 Ca 0.23 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 2vjx s ALA 118 Cb -0.13 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 2vjx s ALA 118 CO -0.02 -0.11 0.26 -0.51 0.00 0.00 0.00 175.76 175.37 2vjx s ASP 119 N 1.02 6.17 -0.23 0.00 1.01 -0.33 0.10 116.67 124.41 2vjx s ASP 119 Ca -0.05 0.17 -0.07 0.00 0.71 0.00 0.00 52.55 53.32 2vjx s ASP 119 Cb -0.15 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 2vjx s ASP 119 CO -0.03 -0.05 0.05 -0.69 0.21 0.00 0.00 175.17 174.66 2vjx s VAL 120 N 1.56 4.30 -0.08 -1.27 1.01 0.05 -0.97 120.40 124.99 2vjx s VAL 120 Ca 0.11 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2vjx s VAL 120 Cb -0.15 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 2vjx s VAL 120 CO 0.08 0.38 -0.20 -0.31 0.00 0.00 0.00 175.10 175.05 2vjx s TYR 121 N 1.25 2.59 -0.09 5.22 2.02 0.46 0.41 117.35 129.22 2vjx s TYR 121 Ca 0.04 -0.66 -0.01 0.00 -0.37 0.00 0.00 57.07 56.07 2vjx s TYR 121 Cb -0.15 -1.68 0.03 0.00 -0.40 0.00 0.00 41.96 39.76 2vjx s TYR 121 CO 0.03 -0.18 -0.02 -1.17 -1.57 0.00 0.00 175.55 172.63 2vjx s LEU 122 N -0.05 0.82 -1.40 -1.29 2.96 0.13 -0.80 118.68 119.04 2vjx s LEU 122 Ca -0.05 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.59 2vjx s LEU 122 Cb -0.14 -0.59 0.04 0.00 0.50 0.00 0.00 46.19 46.00 2vjx s LEU 122 CO 0.05 -0.17 0.99 0.59 -1.32 0.00 0.00 176.35 176.49 2vjx n ASN 123 N 5.07 -4.27 0.00 3.68 3.02 -0.73 -1.23 115.26 120.81 2vjx n ASN 123 Ca -0.09 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 2vjx n ASN 123 Cb 0.50 -4.39 0.00 0.00 -0.61 0.00 0.00 39.78 35.28 2vjx n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vjx n GLY 124 N -1.70 0.70 3.64 7.41 0.00 -1.26 -5.04 105.19 108.94 2vjx n GLY 124 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2vjx n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2vjx s SER 125 N -2.55 5.30 -0.42 1.61 0.15 -0.36 -5.07 113.70 112.35 2vjx s SER 125 Ca 0.00 0.09 -0.28 0.00 0.70 0.00 0.00 55.95 56.46 2vjx s SER 125 Cb 0.00 -1.68 0.02 0.00 -1.71 0.00 0.00 66.02 62.65 2vjx s SER 125 CO 0.00 0.29 1.09 -0.22 1.20 0.00 0.00 173.24 175.60 2vjx s LEU 126 N -0.34 3.77 0.03 3.45 2.96 -1.26 -0.69 118.68 126.60 2vjx s LEU 126 Ca 0.07 0.61 0.05 0.00 -0.22 0.00 0.00 54.13 54.65 2vjx s LEU 126 Cb -0.12 -3.50 -0.24 0.00 0.50 0.00 0.00 46.19 42.83 2vjx s LEU 126 CO 0.02 -1.10 0.95 -0.07 -1.32 0.00 0.00 176.35 174.83 2vjx h LEU 127 N 10.77 0.14 -7.00 -0.68 3.38 -0.41 -3.49 115.31 118.02 2vjx h LEU 127 Ca -0.22 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.59 2vjx h LEU 127 Cb 1.06 -0.05 -0.25 0.00 0.09 0.00 0.00 40.66 41.52 2vjx h LEU 127 CO 1.08 1.16 0.39 -0.22 0.09 0.00 0.00 178.44 180.95 2vjx s LEU 128 N -6.63 -0.51 -0.51 1.67 2.96 -1.21 -5.00 118.68 109.45 2vjx s LEU 128 Ca -0.04 0.97 -0.02 0.00 -0.22 0.00 0.00 54.13 54.82 2vjx s LEU 128 Cb 0.08 2.00 0.13 0.00 0.50 0.00 0.00 46.19 48.91 2vjx s LEU 128 CO 0.83 -0.18 0.31 -0.54 -1.32 0.00 0.00 176.35 175.45 2vjx s LYS 129 N 0.22 2.22 0.43 1.98 1.02 -1.26 -0.77 119.74 123.57 2vjx s LYS 129 Ca 0.02 -2.21 -0.22 0.00 0.02 0.00 0.00 55.97 53.59 2vjx s LYS 129 Cb -0.05 -3.61 -0.10 0.00 -0.52 0.00 0.00 37.83 33.56 2vjx s LYS 129 CO -0.05 -1.11 0.99 0.00 -0.92 0.00 0.00 175.35 174.26 2vjx s ALA 130 N 0.47 3.03 0.00 5.17 0.00 0.12 -4.91 121.76 125.63 2vjx s ALA 130 Ca 0.13 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.65 2vjx s ALA 130 Cb -0.22 -3.20 0.08 0.00 0.00 0.00 0.00 23.12 19.78 2vjx s ALA 130 CO -0.04 -0.03 0.86 -0.40 0.00 0.00 0.00 175.76 176.16 2vjx n ASP 131 N -0.48 -0.12 -3.35 0.00 5.75 -1.20 -2.45 116.55 114.70 2vjx n ASP 131 Ca 0.07 -1.67 -0.06 0.00 -0.01 0.00 0.00 54.79 53.12 2vjx n ASP 131 Cb 0.52 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.55 2vjx n ASP 131 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2vjx s ASN 132 N -0.84 -0.26 0.51 -1.12 3.84 -1.25 -4.52 114.94 111.29 2vjx s ASN 132 Ca 0.06 0.52 0.22 0.00 0.21 0.00 0.00 52.86 53.88 2vjx s ASN 132 Cb 0.07 1.44 1.31 0.00 -0.55 0.00 0.00 41.25 43.52 2vjx s ASN 132 CO -0.03 -0.28 2.01 -0.03 -2.79 0.00 0.00 177.10 175.98 2vjx h MET 133 N 8.13 0.08 -0.31 0.43 1.85 -1.26 -2.83 114.93 121.01 2vjx h MET 133 Ca -0.20 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.89 2vjx h MET 133 Cb 1.15 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.16 2vjx h MET 133 CO 0.25 0.05 0.00 1.19 -0.40 0.00 0.00 176.91 178.00 2vjx n PHE 134 N -4.41 0.42 -5.12 1.39 3.72 -1.26 -4.38 117.46 107.80 2vjx n PHE 134 Ca 0.09 -0.21 -0.32 0.00 -0.05 0.00 0.00 57.45 56.96 2vjx n PHE 134 Cb 0.52 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.90 2vjx n PHE 134 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2vjx s VAL 135 N -1.58 2.41 -0.00 -4.37 1.01 -1.07 -4.72 120.40 112.08 2vjx s VAL 135 Ca 0.21 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 2vjx s VAL 135 Cb 0.11 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 2vjx s VAL 135 CO 0.15 0.57 0.31 -0.83 0.00 0.00 0.00 175.10 175.30 2vjx s GLY 136 N -0.29 2.32 -0.06 4.51 0.00 -1.26 -4.43 107.32 108.11 2vjx s GLY 136 Ca 0.01 -0.44 0.04 0.00 0.00 0.00 0.00 44.72 44.33 2vjx s GLY 136 CO 0.03 -0.18 -0.18 -0.19 0.00 0.00 0.00 173.10 172.57 2vjx s TYR 137 N -1.21 2.61 -0.16 1.90 2.02 0.22 -4.99 117.35 117.74 2vjx s TYR 137 Ca 0.25 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.52 2vjx s TYR 137 Cb -0.14 -1.65 0.02 0.00 -0.40 0.00 0.00 41.96 39.79 2vjx s TYR 137 CO 0.13 -0.03 -0.19 0.99 -1.57 0.00 0.00 175.55 174.88 2vjx s THR 138 N -0.35 1.94 -0.15 -0.71 2.01 -1.26 -1.00 115.64 116.12 2vjx s THR 138 Ca 0.03 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.16 2vjx s THR 138 Cb -0.12 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.66 2vjx s THR 138 CO 0.02 0.52 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.56 2vjx s LEU 139 N 1.17 1.78 0.00 4.42 1.43 0.49 -4.98 118.68 122.99 2vjx s LEU 139 Ca 0.01 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 2vjx s LEU 139 Cb -0.14 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 2vjx s LEU 139 CO -0.09 -0.04 1.38 -2.16 0.23 0.00 0.00 176.35 175.67 2vjx s PRO 140 N 1.41 4.29 0.00 1.29 0.04 -1.26 -0.35 135.00 140.42 2vjx s PRO 140 Ca 0.04 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2vjx s PRO 140 Cb -0.13 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2vjx s PRO 140 CO -0.10 -0.55 0.40 1.33 0.04 0.00 0.00 177.00 178.12 2vjx n VAL 141 N 4.60 0.15 -0.33 -0.36 0.24 0.66 -4.85 118.33 118.45 2vjx n VAL 141 Ca 0.13 -0.31 0.09 0.00 -2.04 0.00 0.00 64.34 62.21 2vjx n VAL 141 Cb 0.44 1.28 0.25 0.00 -1.47 0.00 0.00 33.84 34.34 2vjx n VAL 141 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2vjx h LYS 142 N 0.00 0.77 0.00 7.34 3.64 -1.87 -1.19 116.57 125.26 2vjx h LYS 142 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2vjx h LYS 142 Cb 0.44 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2vjx h LYS 142 CO 0.00 0.51 0.00 0.66 -2.27 0.00 0.00 179.45 178.35 2vjx h SER 143 N 0.79 0.00 0.05 4.20 4.64 -1.92 -2.84 113.55 118.48 2vjx h SER 143 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 2vjx h SER 143 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2vjx h SER 143 CO -0.33 0.00 -1.90 0.52 -0.87 0.00 0.00 176.83 174.25 2vjx n VAL 144 N -2.41 0.03 -1.79 0.95 0.31 -0.50 -4.99 118.33 109.94 2vjx n VAL 144 Ca 0.02 -0.48 -0.32 0.00 -0.01 0.00 0.00 64.34 63.55 2vjx n VAL 144 Cb 0.27 0.03 0.04 0.00 -0.91 0.00 0.00 33.84 33.27 2vjx n VAL 144 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2vjx s LEU 145 N -4.48 3.35 0.13 7.52 1.43 -0.87 -4.80 118.68 120.95 2vjx s LEU 145 Ca -0.07 1.84 0.08 0.00 -1.03 0.00 0.00 54.13 54.95 2vjx s LEU 145 Cb 0.14 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 2vjx s LEU 145 CO 0.90 -1.46 -0.19 -0.13 0.23 0.00 0.00 176.35 175.70 2vjx s ARG 146 N -4.34 1.17 0.21 1.70 0.52 -1.26 -5.04 118.95 111.91 2vjx s ARG 146 Ca 0.63 -1.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.29 2vjx s ARG 146 Cb -0.17 -1.32 -0.09 0.00 0.52 0.00 0.00 34.95 33.89 2vjx s ARG 146 CO 0.43 0.29 1.36 0.21 0.02 0.00 0.00 175.30 177.62 2vjx s LYS 147 N -2.29 4.34 1.86 3.54 2.20 -1.26 -4.41 119.74 123.72 2vjx s LYS 147 Ca 0.10 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 2vjx s LYS 147 Cb -0.08 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 2vjx s LYS 147 CO 0.05 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 2vjx n GLY 148 N 2.41 0.77 3.76 5.54 0.00 0.11 -4.92 105.19 112.85 2vjx n GLY 148 Ca 0.07 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 2vjx n GLY 148 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vjx s GLU 149 N 0.00 4.54 0.01 1.61 2.02 -1.26 -0.82 118.70 124.79 2vjx s GLU 149 Ca 0.00 1.80 0.01 0.00 0.02 0.00 0.00 54.97 56.80 2vjx s GLU 149 Cb 0.00 -3.08 -0.01 0.00 0.10 0.00 0.00 34.13 31.14 2vjx s GLU 149 CO 0.00 0.12 -0.05 -0.80 0.02 0.00 0.00 175.26 174.55 2vjx s ASN 150 N -0.94 0.58 -0.14 -0.19 0.01 0.10 -4.75 114.94 109.61 2vjx s ASN 150 Ca 0.47 -0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.45 2vjx s ASN 150 Cb -0.31 -0.04 0.02 0.00 0.41 0.00 0.00 41.25 41.33 2vjx s ASN 150 CO 0.40 -0.00 -0.16 -1.00 -1.51 0.00 0.00 177.10 174.82 2vjx s HIS 151 N -0.39 2.24 -0.20 2.20 3.76 -1.26 -2.00 115.29 119.64 2vjx s HIS 151 Ca -0.01 -1.18 -0.03 0.00 -0.15 0.00 0.00 55.06 53.69 2vjx s HIS 151 Cb -0.04 -1.60 -0.01 0.00 1.11 0.00 0.00 32.58 32.04 2vjx s HIS 151 CO -0.00 -0.61 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.06 2vjx s LEU 152 N 1.18 2.93 -0.04 0.89 2.96 0.20 -1.77 118.68 125.03 2vjx s LEU 152 Ca -0.01 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 2vjx s LEU 152 Cb -0.14 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 2vjx s LEU 152 CO -0.06 0.04 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.49 2vjx s TYR 153 N 1.14 2.01 -0.09 5.38 1.51 0.02 -1.13 117.35 126.18 2vjx s TYR 153 Ca 0.02 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.55 2vjx s TYR 153 Cb -0.15 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 2vjx s TYR 153 CO -0.01 -0.16 -0.14 0.42 -1.11 0.00 0.00 175.55 174.55 2vjx s ILE 154 N -0.14 1.39 -0.26 2.71 1.01 0.95 -0.40 121.20 126.46 2vjx s ILE 154 Ca -0.01 -0.60 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 2vjx s ILE 154 Cb -0.12 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 2vjx s ILE 154 CO 0.02 0.42 0.10 -0.47 0.00 0.00 0.00 174.94 175.01 2vjx s TYR 155 N 0.86 3.12 -0.40 3.97 5.04 -0.14 -0.69 117.35 129.10 2vjx s TYR 155 Ca -0.10 -0.30 -0.13 0.00 -2.44 0.00 0.00 57.07 54.10 2vjx s TYR 155 Cb -0.15 -2.27 0.03 0.00 0.35 0.00 0.00 41.96 39.92 2vjx s TYR 155 CO 0.01 -0.32 0.26 -0.06 -1.34 0.00 0.00 175.55 174.10 2vjx s PHE 156 N 1.65 3.25 0.23 4.97 0.08 0.93 -1.19 117.98 127.90 2vjx s PHE 156 Ca 0.06 -0.89 -0.30 0.00 0.12 0.00 0.00 56.93 55.92 2vjx s PHE 156 Cb -0.15 -2.60 -0.09 0.00 -0.57 0.00 0.00 43.02 39.60 2vjx s PHE 156 CO 0.05 -0.66 1.32 -1.01 -0.10 0.00 0.00 175.22 174.82 2vjx s HIS 157 N 1.59 3.20 -0.06 0.36 3.76 -0.21 -1.59 115.29 122.34 2vjx s HIS 157 Ca 0.03 1.24 -0.37 0.00 -0.15 0.00 0.00 55.06 55.81 2vjx s HIS 157 Cb -0.20 -3.63 -0.15 0.00 1.11 0.00 0.00 32.58 29.71 2vjx s HIS 157 CO 0.07 -1.93 1.60 0.45 -0.85 0.00 0.00 174.74 174.08 2vjx n SER 158 N 2.24 2.38 0.11 1.40 2.88 -1.25 -4.50 113.62 116.88 2vjx n SER 158 Ca 0.05 1.08 0.11 0.00 -1.33 0.00 0.00 58.87 58.78 2vjx n SER 158 Cb 0.42 -1.23 0.46 0.00 -0.75 0.00 0.00 64.21 63.11 2vjx n SER 158 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2vjx n PRO 159 N 4.31 0.16 0.00 -1.46 -0.04 -1.26 -0.56 135.00 136.16 2vjx n PRO 159 Ca 0.22 0.38 -0.04 0.00 -0.04 0.00 0.00 63.50 64.01 2vjx n PRO 159 Cb 0.20 -1.80 -0.03 0.00 -0.04 0.00 0.00 33.50 31.82 2vjx n PRO 159 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2vjx h ILE 160 N 0.00 0.30 -0.55 0.52 1.08 -1.89 -3.22 117.51 113.76 2vjx h ILE 160 Ca 0.00 -1.10 0.06 0.00 -0.39 0.00 0.00 64.86 63.43 2vjx h ILE 160 Cb 0.37 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 2vjx h ILE 160 CO 0.00 0.10 0.37 0.03 -0.69 0.00 0.00 178.15 177.95 2vjx h ARG 161 N -1.01 0.50 0.00 2.37 2.47 -1.79 -1.39 114.38 115.52 2vjx h ARG 161 Ca -0.01 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 2vjx h ARG 161 Cb 0.25 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 2vjx h ARG 161 CO 0.02 0.33 -0.17 0.37 0.56 0.00 0.00 179.97 181.08 2vjx h GLN 162 N 0.51 0.00 -0.02 0.04 5.75 -0.94 -3.14 115.11 117.31 2vjx h GLN 162 Ca 0.24 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 2vjx h GLN 162 Cb 0.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.84 2vjx h GLN 162 CO -0.07 0.17 0.00 0.25 -2.65 0.00 0.00 178.83 176.54 2vjx n THR 163 N -3.91 0.07 -0.05 2.39 -2.24 -0.60 -4.60 114.28 105.34 2vjx n THR 163 Ca -0.02 -0.54 -0.08 0.00 -2.27 0.00 0.00 64.05 61.14 2vjx n THR 163 Cb 0.26 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.57 2vjx n THR 163 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2vjx h LEU 164 N 1.30 -0.07 -1.40 3.22 3.38 -1.31 0.07 115.31 120.50 2vjx h LEU 164 Ca 0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2vjx h LEU 164 Cb 0.30 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2vjx h LEU 164 CO 0.00 -0.00 0.26 -0.65 0.09 0.00 0.00 178.44 178.14 2vjx h PRO 165 N 0.09 0.67 -0.30 1.13 0.11 -1.81 -1.10 132.00 130.78 2vjx h PRO 165 Ca 0.11 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 2vjx h PRO 165 Cb 0.13 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2vjx h PRO 165 CO -0.18 0.50 -0.01 0.37 -0.21 0.00 0.00 178.00 178.47 2vjx h GLN 166 N 0.68 0.54 -0.66 1.05 4.15 -1.70 -1.13 115.11 118.04 2vjx h GLN 166 Ca 0.17 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2vjx h GLN 166 Cb 0.02 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 2vjx h GLN 166 CO -0.03 0.69 0.37 -0.92 -1.93 0.00 0.00 178.83 177.01 2vjx h TYR 167 N 0.32 0.89 -0.83 3.99 3.20 -0.72 -2.60 116.97 121.23 2vjx h TYR 167 Ca 0.08 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2vjx h TYR 167 Cb 0.45 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 2vjx h TYR 167 CO 0.04 0.63 0.42 0.00 -1.64 0.00 0.00 178.16 177.61 2vjx h ALA 168 N 1.18 1.18 0.00 1.82 0.00 -0.93 -1.50 119.26 121.02 2vjx h ALA 168 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2vjx h ALA 168 Cb 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2vjx h ALA 168 CO -0.04 0.64 0.00 0.66 0.00 0.00 0.00 179.25 180.51 2vjx h SER 169 N 1.17 0.00 0.76 0.00 4.64 -1.04 -3.32 113.55 115.76 2vjx h SER 169 Ca 0.29 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.40 2vjx h SER 169 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2vjx h SER 169 CO -0.04 0.00 -0.95 -1.13 -0.87 0.00 0.00 176.83 173.84 2vjx h ASN 170 N 0.00 0.15 0.00 4.97 -1.24 -0.88 -3.47 115.58 115.11 2vjx h ASN 170 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.87 2vjx h ASN 170 Cb 0.50 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.50 2vjx h ASN 170 CO 0.00 1.02 0.00 0.61 -1.29 0.00 0.00 177.43 177.77 2vjx n GLY 171 N 1.10 0.72 3.59 1.57 0.00 -1.24 -4.96 105.19 105.97 2vjx n GLY 171 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2vjx n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vjx s PHE 172 N -3.03 -0.06 -0.21 1.61 -0.12 -1.26 -5.15 117.98 109.76 2vjx s PHE 172 Ca 0.00 -0.30 -0.04 0.00 -0.05 0.00 0.00 56.93 56.54 2vjx s PHE 172 Cb 0.00 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.80 2vjx s PHE 172 CO 0.00 -0.99 -0.04 1.21 -0.05 0.00 0.00 175.22 175.35 2vjx s ASN 173 N -2.90 4.35 0.50 1.98 2.47 -1.26 -5.02 114.94 115.06 2vjx s ASN 173 Ca 0.12 -0.36 -0.23 0.00 0.42 0.00 0.00 52.86 52.80 2vjx s ASN 173 Cb -0.02 -1.74 -0.06 0.00 -1.45 0.00 0.00 41.25 37.98 2vjx s ASN 173 CO 0.01 0.00 1.38 -0.31 -3.72 0.00 0.00 177.10 174.46 2vjx s TYR 174 N 1.35 2.38 -0.75 0.43 2.02 -1.26 -4.86 117.35 116.65 2vjx s TYR 174 Ca 0.04 1.34 -0.07 0.00 -0.37 0.00 0.00 57.07 58.01 2vjx s TYR 174 Cb -0.14 -3.83 -0.11 0.00 -0.40 0.00 0.00 41.96 37.48 2vjx s TYR 174 CO -0.02 -2.87 3.11 -0.35 -1.57 0.00 0.00 175.55 173.86 2vjx n PRO 175 N -0.67 2.94 -3.10 -1.71 -0.04 -1.26 -4.72 135.00 126.44 2vjx n PRO 175 Ca 0.08 -1.93 -0.44 0.00 -0.04 0.00 0.00 63.50 61.17 2vjx n PRO 175 Cb 0.44 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2vjx n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vjx n ALA 176 N 2.44 4.09 0.26 0.55 0.00 -1.26 -4.71 120.51 121.88 2vjx n ALA 176 Ca 0.57 -4.43 0.15 0.00 0.00 0.00 0.00 53.44 49.73 2vjx n ALA 176 Cb 0.56 -2.79 0.86 0.00 0.00 0.00 0.00 19.45 18.08 2vjx n ALA 176 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2vjx h ASP 177 N 6.85 0.00 0.86 0.00 3.32 -1.87 -1.42 116.42 124.16 2vjx h ASP 177 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2vjx h ASP 177 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2vjx h ASP 177 CO 1.16 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 179.27 2vjx n ASN 178 N -3.90 0.01 -4.51 6.45 3.02 -1.26 -4.52 115.26 110.55 2vjx n ASN 178 Ca -0.01 0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 54.61 2vjx n ASN 178 Cb 0.17 -0.51 -0.04 0.00 -0.61 0.00 0.00 39.78 38.79 2vjx n ASN 178 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2vjx s ASP 179 N -3.03 6.26 -1.41 6.41 -1.08 -0.54 -3.54 116.67 119.74 2vjx s ASP 179 Ca 0.12 -0.53 -0.14 0.00 -0.52 0.00 0.00 52.55 51.48 2vjx s ASP 179 Cb 0.16 -2.47 0.06 0.00 -1.46 0.00 0.00 42.92 39.21 2vjx s ASP 179 CO 0.45 -1.47 2.10 1.41 0.52 0.00 0.00 175.17 178.19 2vjx n HIS 180 N 8.09 3.66 -3.47 -5.34 8.25 -0.44 -4.80 115.22 121.17 2vjx n HIS 180 Ca 0.01 -2.95 -0.14 0.00 -0.26 0.00 0.00 57.72 54.39 2vjx n HIS 180 Cb 0.47 -2.49 -0.04 0.00 1.12 0.00 0.00 29.99 29.06 2vjx n HIS 180 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2vjx s HIS 181 N 2.97 -0.56 0.28 4.41 5.04 -1.26 -4.99 115.29 121.17 2vjx s HIS 181 Ca 0.47 0.62 -0.02 0.00 -1.54 0.00 0.00 55.06 54.59 2vjx s HIS 181 Cb 0.12 0.50 0.43 0.00 0.04 0.00 0.00 32.58 33.67 2vjx s HIS 181 CO -0.05 -0.72 1.90 1.49 -2.34 0.00 0.00 174.74 175.02 2vjx h GLU 182 N 2.38 1.12 -5.13 2.88 4.81 -2.02 -3.40 114.58 115.22 2vjx h GLU 182 Ca -0.30 -0.07 -0.63 0.00 -0.13 0.00 0.00 59.36 58.24 2vjx h GLU 182 Cb 1.24 -0.25 -0.17 0.00 0.63 0.00 0.00 28.75 30.20 2vjx h GLU 182 CO 0.38 0.74 -0.55 0.15 -0.73 0.00 0.00 179.01 178.99 2vjx s LYS 183 N -6.00 3.94 -1.23 1.92 1.02 -1.26 -5.01 119.74 113.12 2vjx s LYS 183 Ca -0.12 -0.34 -0.11 0.00 0.02 0.00 0.00 55.97 55.41 2vjx s LYS 183 Cb 0.20 -3.37 0.18 0.00 -0.52 0.00 0.00 37.83 34.32 2vjx s LYS 183 CO 0.81 0.08 1.61 0.72 -0.92 0.00 0.00 175.35 177.65 2vjx n HIS 184 N 4.15 3.97 0.24 3.18 8.25 -1.26 -4.76 115.22 128.99 2vjx n HIS 184 Ca -0.16 -3.10 0.14 0.00 -0.26 0.00 0.00 57.72 54.34 2vjx n HIS 184 Cb 0.52 -2.01 0.39 0.00 1.12 0.00 0.00 29.99 30.01 2vjx n HIS 184 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2vjx h LEU 185 N 8.51 0.00 -0.90 2.41 3.38 -1.94 -3.33 115.31 123.44 2vjx h LEU 185 Ca 0.34 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.48 2vjx h LEU 185 Cb 0.75 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 2vjx h LEU 185 CO 1.40 0.03 0.48 0.77 0.09 0.00 0.00 178.44 181.21 2vjx h SER 186 N 0.00 0.58 0.34 -0.43 4.64 -1.93 -2.14 113.55 114.61 2vjx h SER 186 Ca -0.00 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 2vjx h SER 186 Cb 0.81 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2vjx h SER 186 CO 0.00 0.21 -0.03 -0.37 -0.87 0.00 0.00 176.83 175.77 2vjx h VAL 187 N 0.64 0.20 0.00 0.95 -1.51 -1.96 -1.86 116.25 112.71 2vjx h VAL 187 Ca 0.51 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.71 2vjx h VAL 187 Cb 0.78 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2vjx h VAL 187 CO -0.39 0.03 -0.17 -0.26 -1.23 0.00 0.00 177.57 175.55 2vjx h PHE 188 N 0.00 0.00 -3.74 5.19 0.04 -1.66 -3.41 116.94 113.37 2vjx h PHE 188 Ca -0.00 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.09 2vjx h PHE 188 Cb 0.21 0.00 -0.25 0.00 2.20 0.00 0.00 35.95 38.11 2vjx h PHE 188 CO 0.00 0.00 -0.78 -1.12 -0.60 0.00 0.00 178.31 175.81 2vjx s SER 189 N -5.07 3.95 -1.24 2.17 0.01 -0.70 -5.03 113.70 107.78 2vjx s SER 189 Ca 0.08 -0.27 -0.17 0.00 1.31 0.00 0.00 55.95 56.90 2vjx s SER 189 Cb 0.10 -1.16 0.10 0.00 0.21 0.00 0.00 66.02 65.27 2vjx s SER 189 CO 0.65 0.26 1.61 -0.13 0.41 0.00 0.00 173.24 176.04 2vjx s ARG 190 N -0.25 3.98 -0.03 12.44 1.81 -1.26 -4.86 118.95 130.78 2vjx s ARG 190 Ca 0.01 -2.12 -0.11 0.00 -1.72 0.00 0.00 55.73 51.79 2vjx s ARG 190 Cb -0.13 -5.36 0.02 0.00 -0.45 0.00 0.00 34.95 29.03 2vjx s ARG 190 CO 0.03 -2.09 0.24 0.21 -0.68 0.00 0.00 175.30 173.02 2vjx s LYS 191 N 3.40 0.51 -0.17 3.54 2.20 -1.26 -1.24 119.74 126.71 2vjx s LYS 191 Ca 0.49 -0.09 -0.37 0.00 -0.36 0.00 0.00 55.97 55.65 2vjx s LYS 191 Cb 0.01 0.22 -0.13 0.00 -1.51 0.00 0.00 37.83 36.42 2vjx s LYS 191 CO 0.04 -0.12 1.84 0.00 -0.36 0.00 0.00 175.35 176.75 2vjx n ALA 192 N 1.83 0.46 -0.32 3.13 0.00 -1.26 -4.84 120.51 119.51 2vjx n ALA 192 Ca -0.19 0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.62 2vjx n ALA 192 Cb 0.56 -2.39 0.21 0.00 0.00 0.00 0.00 19.45 17.83 2vjx n ALA 192 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2vjx h PRO 193 N 8.50 0.81 0.00 0.00 0.11 -1.71 -2.27 132.00 137.43 2vjx h PRO 193 Ca -0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2vjx h PRO 193 Cb 1.29 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2vjx h PRO 193 CO 0.96 0.54 -0.05 0.10 -0.21 0.00 0.00 178.00 179.34 2vjx h TYR 194 N 0.83 0.00 -0.14 0.65 -0.00 -1.32 -2.49 116.97 114.50 2vjx h TYR 194 Ca 0.45 0.00 0.04 0.00 0.00 0.00 0.00 58.73 59.22 2vjx h TYR 194 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.20 2vjx h TYR 194 CO -0.04 0.05 0.13 0.66 -0.00 0.00 0.00 178.16 178.95 2vjx h SER 195 N 0.00 0.00 -0.01 0.10 4.64 -1.69 -0.67 113.55 115.92 2vjx h SER 195 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vjx h SER 195 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2vjx h SER 195 CO 0.01 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 2vjx n TYR 196 N -4.11 0.01 0.00 4.77 4.01 -0.94 -1.12 117.16 119.79 2vjx n TYR 196 Ca 0.01 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2vjx n TYR 196 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 2vjx n TYR 196 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2vjx n GLY 197 N 0.96 3.10 3.42 2.72 0.00 -0.26 -1.33 105.19 113.79 2vjx n GLY 197 Ca 0.20 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 2vjx n GLY 197 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2vjx n TRP 198 N -0.51 -2.04 1.93 1.61 -0.00 -1.19 -4.50 117.44 112.74 2vjx n TRP 198 Ca 0.00 -1.87 0.10 0.00 -0.00 0.00 0.00 57.50 55.73 2vjx n TRP 198 Cb 0.00 0.77 0.59 0.00 -0.00 0.00 0.00 31.31 32.67 2vjx n TRP 198 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2vjx n ASP 199 N -1.54 0.15 -0.18 5.87 5.68 -1.26 -1.83 116.55 123.45 2vjx n ASP 199 Ca -0.06 -1.39 0.02 0.00 -0.50 0.00 0.00 54.79 52.86 2vjx n ASP 199 Cb 0.55 -0.01 0.03 0.00 -1.14 0.00 0.00 41.12 40.55 2vjx n ASP 199 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 2vjx n TRP 200 N -0.71 0.00 -4.34 2.11 4.27 -1.26 -3.37 117.44 114.13 2vjx n TRP 200 Ca 0.15 -0.28 -0.22 0.00 -3.89 0.00 0.00 57.50 53.27 2vjx n TRP 200 Cb 0.09 -0.05 -0.13 0.00 -1.36 0.00 0.00 31.31 29.86 2vjx n TRP 200 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 2vjx s GLY 201 N -1.06 0.99 0.30 -1.67 0.00 -0.76 -4.80 107.32 100.33 2vjx s GLY 201 Ca 0.06 -1.03 -0.24 0.00 0.00 0.00 0.00 44.72 43.51 2vjx s GLY 201 CO 0.01 -1.01 0.88 -1.50 0.00 0.00 0.00 173.10 171.47 2vjx s ILE 202 N -1.03 4.32 -0.39 0.90 2.07 -1.26 -3.15 121.20 122.66 2vjx s ILE 202 Ca 0.03 1.65 -0.29 0.00 -1.41 0.00 0.00 60.65 60.63 2vjx s ILE 202 Cb -0.09 -3.95 0.02 0.00 0.13 0.00 0.00 42.46 38.58 2vjx s ILE 202 CO 0.02 0.14 1.09 -0.60 -1.91 0.00 0.00 174.94 173.68 2vjx s ARG 203 N -2.09 3.90 -0.41 3.50 3.52 -1.26 -4.00 118.95 122.10 2vjx s ARG 203 Ca 0.49 0.81 0.04 0.00 -0.13 0.00 0.00 55.73 56.93 2vjx s ARG 203 Cb -0.18 -3.82 0.17 0.00 -1.56 0.00 0.00 34.95 29.56 2vjx s ARG 203 CO 0.22 -1.12 0.36 -1.64 -0.81 0.00 0.00 175.30 172.31 2vjx s MET 204 N 4.00 0.84 -1.10 5.12 -1.94 -0.28 -4.89 119.30 121.05 2vjx s MET 204 Ca 0.46 -1.78 -0.21 0.00 -1.71 0.00 0.00 55.69 52.45 2vjx s MET 204 Cb -0.10 -1.20 0.06 0.00 2.01 0.00 0.00 34.83 35.60 2vjx s MET 204 CO 0.23 -1.34 1.53 0.08 -0.01 0.00 0.00 175.02 175.51 2vjx s VAL 205 N 0.42 4.01 0.61 -6.03 1.01 -1.17 -4.76 120.40 114.47 2vjx s VAL 205 Ca 0.29 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2vjx s VAL 205 Cb -0.02 -5.09 0.07 0.00 0.00 0.00 0.00 36.38 31.34 2vjx s VAL 205 CO -0.14 -1.95 0.84 0.28 0.00 0.00 0.00 175.10 174.13 2vjx s THR 206 N 4.68 2.42 0.13 3.92 -1.32 -1.26 -4.44 115.64 119.76 2vjx s THR 206 Ca 0.48 -0.72 -0.05 0.00 -1.21 0.00 0.00 61.69 60.19 2vjx s THR 206 Cb 0.01 -2.70 -0.02 0.00 -1.51 0.00 0.00 72.50 68.28 2vjx s THR 206 CO -0.05 0.00 0.15 -0.44 -2.21 0.00 0.00 174.62 172.07 2vjx s SER 207 N -4.57 0.21 0.00 8.08 0.01 -1.26 -4.80 113.70 111.37 2vjx s SER 207 Ca 0.61 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2vjx s SER 207 Cb -0.08 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2vjx s SER 207 CO 0.40 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2vjx n GLY 208 N -0.11 0.07 3.51 3.44 0.00 0.28 -1.31 105.19 111.07 2vjx n GLY 208 Ca -0.08 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 2vjx n GLY 208 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vjx s VAL 209 N -1.35 4.12 -0.77 1.61 1.01 -1.25 -0.87 120.40 122.90 2vjx s VAL 209 Ca 0.00 -0.44 0.23 0.00 0.00 0.00 0.00 61.98 61.77 2vjx s VAL 209 Cb 0.00 -4.86 -0.08 0.00 0.00 0.00 0.00 36.38 31.44 2vjx s VAL 209 CO 0.00 -1.70 1.14 -2.67 0.00 0.00 0.00 175.10 171.87 2vjx n TRP 210 N 8.28 0.19 -4.29 5.22 4.27 -0.88 -1.09 117.44 129.14 2vjx n TRP 210 Ca 0.12 0.05 -0.15 0.00 -3.89 0.00 0.00 57.50 53.63 2vjx n TRP 210 Cb 0.48 -0.35 -0.10 0.00 -1.36 0.00 0.00 31.31 29.98 2vjx n TRP 210 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 2vjx s ARG 211 N -3.12 1.31 0.74 -2.67 0.52 -1.23 -4.52 118.95 109.99 2vjx s ARG 211 Ca 0.06 -1.69 -0.14 0.00 -0.52 0.00 0.00 55.73 53.44 2vjx s ARG 211 Cb 0.15 -0.22 0.05 0.00 0.52 0.00 0.00 34.95 35.45 2vjx s ARG 211 CO 0.78 -0.26 1.20 -2.14 0.02 0.00 0.00 175.30 174.90 2vjx s PRO 212 N -4.01 2.06 -0.10 3.54 0.02 -1.26 -4.34 135.00 130.92 2vjx s PRO 212 Ca 0.34 1.72 0.04 0.00 0.02 0.00 0.00 61.00 63.12 2vjx s PRO 212 Cb 0.07 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.76 2vjx s PRO 212 CO 0.11 -1.89 -0.23 0.08 -0.33 0.00 0.00 177.00 174.74 2vjx s VAL 213 N -2.06 2.12 0.03 3.83 1.01 -1.26 -1.59 120.40 122.48 2vjx s VAL 213 Ca 0.73 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2vjx s VAL 213 Cb -0.28 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2vjx s VAL 213 CO 0.46 0.56 -0.07 0.42 0.00 0.00 0.00 175.10 176.48 2vjx s THR 214 N 0.29 0.47 -0.14 3.92 -4.23 -0.54 -0.96 115.64 114.45 2vjx s THR 214 Ca -0.17 -0.85 -0.02 0.00 -1.18 0.00 0.00 61.69 59.47 2vjx s THR 214 Cb -0.17 -0.51 -0.02 0.00 1.34 0.00 0.00 72.50 73.13 2vjx s THR 214 CO 0.08 -0.27 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.04 2vjx s LEU 215 N -1.21 2.91 -0.18 4.79 1.43 0.32 -0.45 118.68 126.29 2vjx s LEU 215 Ca -0.07 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2vjx s LEU 215 Cb -0.08 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2vjx s LEU 215 CO 0.00 0.16 -0.14 -0.60 0.23 0.00 0.00 176.35 176.00 2vjx s ARG 216 N 0.39 3.18 -0.23 1.70 3.52 0.29 0.13 118.95 127.92 2vjx s ARG 216 Ca -0.08 -0.75 -0.08 0.00 -0.13 0.00 0.00 55.73 54.69 2vjx s ARG 216 Cb -0.15 -2.70 -0.04 0.00 -1.56 0.00 0.00 34.95 30.50 2vjx s ARG 216 CO 0.04 -0.12 0.09 -0.06 -0.81 0.00 0.00 175.30 174.45 2vjx s PHE 217 N 1.15 3.17 0.23 5.12 0.08 0.38 -1.19 117.98 126.92 2vjx s PHE 217 Ca 0.01 -0.13 -0.10 0.00 0.12 0.00 0.00 56.93 56.83 2vjx s PHE 217 Cb -0.14 -2.21 -0.01 0.00 -0.57 0.00 0.00 43.02 40.08 2vjx s PHE 217 CO -0.05 -0.14 0.40 1.52 -0.10 0.00 0.00 175.22 176.85 2vjx s TYR 218 N 1.21 0.50 -0.02 0.36 -0.85 -0.23 -0.86 117.35 117.47 2vjx s TYR 218 Ca 0.05 -0.84 0.06 0.00 -0.52 0.00 0.00 57.07 55.82 2vjx s TYR 218 Cb -0.14 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.21 2vjx s TYR 218 CO 0.04 -0.91 -0.19 -0.51 -1.52 0.00 0.00 175.55 172.46 2vjx s ASP 219 N -3.04 3.66 0.00 -0.18 1.01 -1.26 -1.87 116.67 114.99 2vjx s ASP 219 Ca 0.25 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.17 2vjx s ASP 219 Cb 0.01 -0.62 0.00 0.00 1.01 0.00 0.00 42.92 43.31 2vjx s ASP 219 CO 0.09 0.32 0.00 -0.38 0.21 0.00 0.00 175.17 175.40 2vjx n ILE 220 N 2.16 0.00 -3.60 0.77 2.08 -1.26 -4.78 119.36 114.73 2vjx n ILE 220 Ca -0.17 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.06 2vjx n ILE 220 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.39 2vjx n ILE 220 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2vjx s ALA 221 N 0.00 -1.58 0.16 -1.39 0.00 -1.26 -0.97 121.76 116.72 2vjx s ALA 221 Ca 0.00 0.37 0.10 0.00 0.00 0.00 0.00 51.96 52.43 2vjx s ALA 221 Cb 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 2vjx s ALA 221 CO 0.00 -0.86 -0.23 0.95 0.00 0.00 0.00 175.76 175.63 2vjx s THR 222 N -3.56 2.09 -0.53 0.00 -4.23 -0.73 -4.59 115.64 104.09 2vjx s THR 222 Ca 0.06 -1.86 -0.26 0.00 -1.18 0.00 0.00 61.69 58.44 2vjx s THR 222 Cb -0.02 -1.93 0.03 0.00 1.34 0.00 0.00 72.50 71.92 2vjx s THR 222 CO -0.05 -0.12 1.04 -0.63 -0.54 0.00 0.00 174.62 174.33 2vjx s ILE 223 N -1.56 4.27 -0.31 2.99 1.01 -1.26 -0.92 121.20 125.42 2vjx s ILE 223 Ca 0.16 0.73 0.20 0.00 0.00 0.00 0.00 60.65 61.74 2vjx s ILE 223 Cb -0.08 -4.58 0.18 0.00 0.01 0.00 0.00 42.46 37.99 2vjx s ILE 223 CO 0.07 -1.10 1.43 0.77 0.00 0.00 0.00 174.94 176.12 2vjx h SER 224 N 9.31 0.00 -3.86 3.58 4.64 -0.69 -3.46 113.55 123.07 2vjx h SER 224 Ca -0.25 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 2vjx h SER 224 Cb 1.07 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.94 2vjx h SER 224 CO 1.11 0.18 0.06 -0.62 -0.87 0.00 0.00 176.83 176.69 2vjx s ASP 225 N -6.13 -0.73 -0.16 4.97 2.15 -1.07 -4.99 116.67 110.71 2vjx s ASP 225 Ca 0.04 1.37 -0.01 0.00 0.43 0.00 0.00 52.55 54.39 2vjx s ASP 225 Cb 0.07 1.37 0.04 0.00 -0.30 0.00 0.00 42.92 44.09 2vjx s ASP 225 CO 0.72 -0.23 -0.05 -0.47 -0.17 0.00 0.00 175.17 174.96 2vjx s TYR 226 N 0.52 1.65 -0.17 -5.34 5.04 -1.26 -1.00 117.35 116.80 2vjx s TYR 226 Ca -0.01 -1.02 0.00 0.00 -2.44 0.00 0.00 57.07 53.60 2vjx s TYR 226 Cb -0.05 -1.29 0.01 0.00 0.35 0.00 0.00 41.96 40.97 2vjx s TYR 226 CO -0.02 -0.60 -0.16 -0.47 -1.34 0.00 0.00 175.55 172.96 2vjx s TYR 227 N 1.65 2.78 -0.59 4.97 5.04 0.53 -4.96 117.35 126.78 2vjx s TYR 227 Ca 0.01 -1.24 -0.18 0.00 -2.44 0.00 0.00 57.07 53.22 2vjx s TYR 227 Cb -0.15 -1.91 0.11 0.00 0.35 0.00 0.00 41.96 40.37 2vjx s TYR 227 CO -0.08 -0.59 0.66 0.08 -1.34 0.00 0.00 175.55 174.28 2vjx s VAL 228 N 1.01 4.91 -0.26 3.14 1.01 -1.26 0.12 120.40 129.07 2vjx s VAL 228 Ca -0.02 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 60.67 2vjx s VAL 228 Cb -0.15 -4.46 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 2vjx s VAL 228 CO -0.04 -1.08 0.41 -0.60 0.00 0.00 0.00 175.10 173.80 2vjx s ARG 229 N 2.42 4.05 -0.35 2.72 3.52 -0.02 -4.92 118.95 126.37 2vjx s ARG 229 Ca 0.10 0.13 -0.28 0.00 -0.13 0.00 0.00 55.73 55.55 2vjx s ARG 229 Cb -0.25 -3.64 0.02 0.00 -1.56 0.00 0.00 34.95 29.52 2vjx s ARG 229 CO 0.05 -0.27 1.06 -1.14 -0.81 0.00 0.00 175.30 174.19 2vjx s GLN 230 N 2.05 3.99 -0.02 5.12 0.74 -1.26 0.19 119.66 130.48 2vjx s GLN 230 Ca 0.17 0.93 -0.15 0.00 0.05 0.00 0.00 55.36 56.36 2vjx s GLN 230 Cb -0.16 -3.77 -0.33 0.00 1.10 0.00 0.00 33.01 29.86 2vjx s GLN 230 CO 0.09 -0.97 0.85 -0.07 -0.55 0.00 0.00 175.29 174.65 2vjx h LEU 231 N 10.22 0.69 -7.02 3.68 3.38 -0.95 -3.48 115.31 121.83 2vjx h LEU 231 Ca -0.21 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 56.80 2vjx h LEU 231 Cb 1.06 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.45 2vjx h LEU 231 CO 1.04 1.68 0.19 -0.94 0.09 0.00 0.00 178.44 180.50 2vjx s SER 232 N -7.37 -0.57 -0.13 -0.43 1.04 -1.10 -4.99 113.70 100.14 2vjx s SER 232 Ca -0.13 0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.39 2vjx s SER 232 Cb 0.04 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.80 2vjx s SER 232 CO 0.89 -0.89 0.27 -0.22 0.98 0.00 0.00 173.24 174.27 2vjx s LEU 233 N -2.41 -0.23 0.29 2.42 2.96 -1.26 -1.32 118.68 119.12 2vjx s LEU 233 Ca -0.02 0.61 0.05 0.00 -0.22 0.00 0.00 54.13 54.55 2vjx s LEU 233 Cb -0.01 0.75 -0.06 0.00 0.50 0.00 0.00 46.19 47.38 2vjx s LEU 233 CO -0.08 -0.23 0.01 0.42 -1.32 0.00 0.00 176.35 175.15 2vjx s THR 234 N 2.27 1.28 0.52 3.68 -4.23 -0.05 -5.00 115.64 114.11 2vjx s THR 234 Ca -0.00 -2.04 0.30 0.00 -1.18 0.00 0.00 61.69 58.76 2vjx s THR 234 Cb -0.12 -2.58 0.47 0.00 1.34 0.00 0.00 72.50 71.61 2vjx s THR 234 CO -0.09 -0.17 1.88 0.44 -0.54 0.00 0.00 174.62 176.14 2vjx h ASP 235 N 2.25 0.06 0.61 3.99 3.32 -2.01 -2.66 116.42 121.99 2vjx h ASP 235 Ca -0.40 0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.39 2vjx h ASP 235 Cb 1.24 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 2vjx h ASP 235 CO 0.68 0.02 -1.54 -0.33 -1.72 0.00 0.00 179.24 176.35 2vjx h GLU 236 N 0.06 0.00 -2.22 3.56 3.07 -1.95 -3.35 114.58 113.76 2vjx h GLU 236 Ca 0.44 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.24 2vjx h GLU 236 Cb 1.65 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 29.34 2vjx h GLU 236 CO -0.04 0.57 0.01 1.21 -1.40 0.00 0.00 179.01 179.37 2vjx s ASN 237 N -6.19 -0.67 -0.21 1.42 2.47 -1.00 -0.54 114.94 110.21 2vjx s ASN 237 Ca -0.03 1.27 -0.05 0.00 0.42 0.00 0.00 52.86 54.47 2vjx s ASN 237 Cb 0.08 1.28 -0.02 0.00 -1.45 0.00 0.00 41.25 41.14 2vjx s ASN 237 CO 0.82 -0.22 -0.01 0.00 -3.72 0.00 0.00 177.10 173.97 2vjx s ALA 238 N 0.42 2.94 -0.24 1.71 0.00 0.09 -0.87 121.76 125.81 2vjx s ALA 238 Ca -0.01 -1.09 -0.09 0.00 0.00 0.00 0.00 51.96 50.78 2vjx s ALA 238 Cb -0.04 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 2vjx s ALA 238 CO -0.01 -0.31 0.12 1.03 0.00 0.00 0.00 175.76 176.60 2vjx s ARG 239 N 1.28 3.89 0.11 0.00 0.52 -0.44 -1.08 118.95 123.24 2vjx s ARG 239 Ca 0.04 -0.36 0.09 0.00 -0.52 0.00 0.00 55.73 54.98 2vjx s ARG 239 Cb -0.15 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 2vjx s ARG 239 CO 0.00 -0.03 -0.20 -0.51 0.02 0.00 0.00 175.30 174.58 2vjx s LEU 240 N 1.25 2.61 -0.27 2.53 2.01 0.42 -0.23 118.68 127.00 2vjx s LEU 240 Ca 0.06 -0.58 -0.00 0.00 0.01 0.00 0.00 54.13 53.61 2vjx s LEU 240 Cb -0.14 -1.48 0.05 0.00 0.01 0.00 0.00 46.19 44.63 2vjx s LEU 240 CO 0.05 0.19 -0.06 -0.55 1.01 0.00 0.00 176.35 176.99 2vjx s SER 241 N -2.05 4.53 -0.51 2.29 0.15 0.13 -1.35 113.70 116.89 2vjx s SER 241 Ca 0.17 -1.18 -0.26 0.00 0.70 0.00 0.00 55.95 55.38 2vjx s SER 241 Cb -0.10 -1.64 0.03 0.00 -1.71 0.00 0.00 66.02 62.60 2vjx s SER 241 CO 0.09 -0.19 1.01 0.20 1.20 0.00 0.00 173.24 175.54 2vjx s ASN 242 N 1.23 6.46 -0.26 5.45 -0.87 0.34 -0.84 114.94 126.44 2vjx s ASN 242 Ca -0.04 0.02 -0.07 0.00 -1.57 0.00 0.00 52.86 51.20 2vjx s ASN 242 Cb -0.19 -2.48 -0.02 0.00 -0.02 0.00 0.00 41.25 38.55 2vjx s ASN 242 CO -0.04 -1.21 0.07 -1.61 -2.57 0.00 0.00 177.10 171.74 2vjx s GLU 243 N 4.12 3.46 -0.05 -0.60 2.02 0.12 -0.64 118.70 127.13 2vjx s GLU 243 Ca 0.38 -0.60 0.04 0.00 0.02 0.00 0.00 54.97 54.80 2vjx s GLU 243 Cb -0.10 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 2vjx s GLU 243 CO 0.25 -0.27 -0.16 -0.51 0.02 0.00 0.00 175.26 174.59 2vjx s LEU 244 N 1.57 2.65 -0.23 1.80 1.02 0.24 -0.35 118.68 125.38 2vjx s LEU 244 Ca 0.05 -0.24 -0.02 0.00 0.02 0.00 0.00 54.13 53.94 2vjx s LEU 244 Cb -0.16 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.53 2vjx s LEU 244 CO 0.03 0.33 -0.06 -0.63 0.02 0.00 0.00 176.35 176.03 2vjx s ILE 245 N -0.61 3.02 -0.16 -0.59 1.01 -0.17 -1.12 121.20 122.59 2vjx s ILE 245 Ca 0.09 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2vjx s ILE 245 Cb -0.11 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.92 2vjx s ILE 245 CO 0.01 0.33 -0.17 -0.69 0.00 0.00 0.00 174.94 174.42 2vjx s VAL 246 N 1.39 2.48 -0.38 2.92 1.01 -0.04 0.11 120.40 127.89 2vjx s VAL 246 Ca 0.03 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2vjx s VAL 246 Cb -0.15 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.22 2vjx s VAL 246 CO -0.05 0.52 0.22 0.21 0.00 0.00 0.00 175.10 176.00 2vjx s ASN 247 N 0.96 5.77 -0.20 3.32 2.47 -0.09 0.01 114.94 127.17 2vjx s ASN 247 Ca -0.03 -1.04 -0.15 0.00 0.42 0.00 0.00 52.86 52.05 2vjx s ASN 247 Cb -0.15 -2.04 -0.04 0.00 -1.45 0.00 0.00 41.25 37.58 2vjx s ASN 247 CO -0.03 -0.41 0.38 -1.58 -3.72 0.00 0.00 177.10 171.74 2vjx s GLN 248 N 1.55 4.18 0.00 0.43 -0.44 -0.22 -1.77 119.66 123.39 2vjx s GLN 248 Ca 0.02 0.17 0.23 0.00 -2.50 0.00 0.00 55.36 53.28 2vjx s GLN 248 Cb -0.20 -3.53 0.09 0.00 -1.64 0.00 0.00 33.01 27.73 2vjx s GLN 248 CO 0.07 -0.01 1.13 1.51 0.50 0.00 0.00 175.29 178.48 2vjx n ILE 249 N 4.28 0.00 -3.96 -2.34 0.13 -0.15 -1.00 119.36 116.32 2vjx n ILE 249 Ca -0.09 -0.06 -0.26 0.00 -1.10 0.00 0.00 62.75 61.24 2vjx n ILE 249 Cb 0.51 0.81 -0.03 0.00 -0.84 0.00 0.00 39.64 40.09 2vjx n ILE 249 CO 0.00 0.00 0.00 0.68 2.80 0.00 0.00 176.55 180.03 2vjx s VAL 250 N -2.84 5.24 -0.61 9.51 -7.23 -1.25 -4.97 120.40 118.25 2vjx s VAL 250 Ca 0.12 -0.75 0.25 0.00 -1.81 0.00 0.00 61.98 59.79 2vjx s VAL 250 Cb 0.17 -3.71 0.17 0.00 0.56 0.00 0.00 36.38 33.57 2vjx s VAL 250 CO 0.73 -0.11 1.50 1.55 -0.31 0.00 0.00 175.10 178.46 2vjx h PRO 251 N 2.08 0.00 -7.28 4.82 0.13 -1.98 -3.39 132.00 126.39 2vjx h PRO 251 Ca -0.49 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.15 2vjx h PRO 251 Cb 1.20 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.39 2vjx h PRO 251 CO 0.67 0.00 0.32 -0.65 -0.23 0.00 0.00 178.00 178.12 2vjx s GLN 252 N -3.17 3.29 0.04 0.86 1.11 -1.26 -4.77 119.66 115.76 2vjx s GLN 252 Ca 0.07 0.46 -0.28 0.00 0.01 0.00 0.00 55.36 55.62 2vjx s GLN 252 Cb 0.11 -2.15 -0.05 0.00 -1.01 0.00 0.00 33.01 29.92 2vjx s GLN 252 CO 0.68 -0.65 0.89 0.15 0.01 0.00 0.00 175.29 176.37 2vjx s LYS 253 N -5.12 4.58 -0.23 2.91 1.02 -1.26 -4.42 119.74 117.21 2vjx s LYS 253 Ca 0.54 1.28 0.02 0.00 0.02 0.00 0.00 55.97 57.83 2vjx s LYS 253 Cb -0.11 -3.41 0.05 0.00 -0.52 0.00 0.00 37.83 33.85 2vjx s LYS 253 CO 0.50 0.13 -0.11 0.42 -0.92 0.00 0.00 175.35 175.37 2vjx s ILE 254 N 0.38 1.97 0.38 2.17 -1.09 -0.45 -4.94 121.20 119.62 2vjx s ILE 254 Ca 0.45 -1.37 -0.27 0.00 -2.23 0.00 0.00 60.65 57.22 2vjx s ILE 254 Cb -0.21 -2.06 -0.10 0.00 -1.58 0.00 0.00 42.46 38.51 2vjx s ILE 254 CO 0.26 0.07 1.39 -2.84 -1.23 0.00 0.00 174.94 172.60 2vjx s PRO 255 N 1.22 4.08 0.12 2.79 0.02 -1.26 0.11 135.00 142.08 2vjx s PRO 255 Ca -0.05 2.37 -0.14 0.00 0.02 0.00 0.00 61.00 63.20 2vjx s PRO 255 Cb -0.18 -2.91 0.02 0.00 0.02 0.00 0.00 34.50 31.45 2vjx s PRO 255 CO -0.07 -0.48 0.35 0.00 -0.33 0.00 0.00 177.00 176.47 2vjx s ALA 256 N -1.17 -0.72 -0.13 -1.55 0.00 -0.12 -4.68 121.76 113.39 2vjx s ALA 256 Ca 0.54 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.30 2vjx s ALA 256 Cb -0.43 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.36 2vjx s ALA 256 CO 0.57 -0.62 -0.21 -2.00 0.00 0.00 0.00 175.76 173.50 2vjx s GLU 257 N -3.83 2.87 -0.15 0.00 2.12 0.15 -1.23 118.70 118.63 2vjx s GLU 257 Ca 0.04 -0.80 -0.18 0.00 0.36 0.00 0.00 54.97 54.39 2vjx s GLU 257 Cb 0.03 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 32.06 2vjx s GLU 257 CO -0.11 -0.01 0.48 0.08 -0.54 0.00 0.00 175.26 175.15 2vjx s VAL 258 N 0.82 5.17 -0.04 3.70 1.01 0.01 -0.90 120.40 130.16 2vjx s VAL 258 Ca -0.08 0.92 0.05 0.00 0.00 0.00 0.00 61.98 62.87 2vjx s VAL 258 Cb -0.16 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2vjx s VAL 258 CO -0.01 0.28 -0.18 -0.13 0.00 0.00 0.00 175.10 175.05 2vjx s ARG 259 N 0.96 1.89 -0.18 2.72 0.52 -0.05 -0.82 118.95 124.00 2vjx s ARG 259 Ca 0.24 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 2vjx s ARG 259 Cb -0.15 -1.64 0.01 0.00 0.52 0.00 0.00 34.95 33.69 2vjx s ARG 259 CO 0.10 0.27 -0.17 0.08 0.02 0.00 0.00 175.30 175.60 2vjx s VAL 260 N -0.02 2.38 -0.16 3.52 1.01 -0.40 -0.11 120.40 126.62 2vjx s VAL 260 Ca -0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 2vjx s VAL 260 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2vjx s VAL 260 CO 0.02 0.52 -0.04 0.21 0.00 0.00 0.00 175.10 175.81 2vjx s ASN 261 N 1.16 4.75 -0.20 3.32 3.84 0.09 -1.00 114.94 126.91 2vjx s ASN 261 Ca 0.01 -0.15 -0.03 0.00 0.21 0.00 0.00 52.86 52.90 2vjx s ASN 261 Cb -0.14 -1.78 -0.01 0.00 -0.55 0.00 0.00 41.25 38.77 2vjx s ASN 261 CO -0.07 0.16 -0.05 -0.69 -2.79 0.00 0.00 177.10 173.65 2vjx s VAL 262 N 0.44 3.44 0.13 -5.21 1.01 0.01 -0.67 120.40 119.55 2vjx s VAL 262 Ca -0.04 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.51 2vjx s VAL 262 Cb -0.14 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2vjx s VAL 262 CO 0.03 0.45 -0.12 -0.44 0.00 0.00 0.00 175.10 175.02 2vjx s SER 263 N 1.11 1.87 -0.07 3.32 0.01 0.08 0.40 113.70 120.41 2vjx s SER 263 Ca 0.01 -0.89 -0.01 0.00 1.31 0.00 0.00 55.95 56.37 2vjx s SER 263 Cb -0.15 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.07 2vjx s SER 263 CO -0.00 -0.23 -0.02 -0.22 0.41 0.00 0.00 173.24 173.17 2vjx s LEU 264 N -2.75 0.88 -1.40 2.44 2.96 -0.05 -0.32 118.68 120.44 2vjx s LEU 264 Ca 0.12 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 2vjx s LEU 264 Cb -0.02 -0.51 0.03 0.00 0.50 0.00 0.00 46.19 46.20 2vjx s LEU 264 CO 0.02 -0.14 0.47 -3.20 -1.32 0.00 0.00 176.35 172.18 2vjx n ASN 265 N 4.82 -4.87 0.00 3.68 4.05 -1.26 -1.13 115.26 120.54 2vjx n ASN 265 Ca -0.13 -0.27 0.00 0.00 0.45 0.00 0.00 54.58 54.64 2vjx n ASN 265 Cb 0.50 -3.99 0.00 0.00 1.23 0.00 0.00 39.78 37.52 2vjx n ASN 265 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2vjx n GLY 266 N -1.28 0.79 3.34 8.20 0.00 -1.26 -5.03 105.19 109.95 2vjx n GLY 266 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2vjx n GLY 266 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vjx s THR 267 N -2.99 3.20 0.24 2.61 2.01 -0.28 -5.09 115.64 115.34 2vjx s THR 267 Ca 0.00 -0.58 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 2vjx s THR 267 Cb 0.00 -2.39 -0.13 0.00 0.01 0.00 0.00 72.50 69.99 2vjx s THR 267 CO 0.00 0.48 1.50 0.41 -0.69 0.00 0.00 174.62 176.33 2vjx n THR 268 N 4.07 0.76 -0.09 -0.82 -1.04 -1.26 -0.87 114.28 115.03 2vjx n THR 268 Ca -0.18 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.05 61.48 2vjx n THR 268 Cb 0.52 -1.64 -0.08 0.00 -1.82 0.00 0.00 70.33 67.31 2vjx n THR 268 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2vjx n VAL 269 N 2.33 1.04 -3.49 12.58 0.31 0.16 -4.88 118.33 126.39 2vjx n VAL 269 Ca 0.12 -0.35 -0.15 0.00 -0.01 0.00 0.00 64.34 63.95 2vjx n VAL 269 Cb 0.33 -1.39 -0.04 0.00 -0.91 0.00 0.00 33.84 31.82 2vjx n VAL 269 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2vjx s THR 270 N -2.36 0.00 -0.04 2.52 -1.32 -0.98 -5.01 115.64 108.45 2vjx s THR 270 Ca -0.25 -0.04 -0.02 0.00 -1.21 0.00 0.00 61.69 60.16 2vjx s THR 270 Cb 0.08 -0.99 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 2vjx s THR 270 CO 0.39 -0.02 0.09 -0.70 -2.21 0.00 0.00 174.62 172.17 2vjx s GLU 271 N -2.36 0.07 0.07 7.08 2.12 -1.26 -0.81 118.70 123.62 2vjx s GLU 271 Ca -0.06 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.49 2vjx s GLU 271 Cb -0.00 -0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 2vjx s GLU 271 CO -0.01 -0.08 -0.06 0.14 -0.54 0.00 0.00 175.26 174.71 2vjx s VAL 272 N 0.55 0.51 0.15 3.70 -7.23 -0.17 -5.01 120.40 112.89 2vjx s VAL 272 Ca -0.04 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 58.43 2vjx s VAL 272 Cb -0.06 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.64 2vjx s VAL 272 CO -0.02 -0.74 0.30 -1.59 -0.31 0.00 0.00 175.10 172.74 2vjx s LYS 273 N -3.05 1.10 -0.19 4.82 -2.85 -1.26 -1.28 119.74 117.03 2vjx s LYS 273 Ca 0.03 -1.03 -0.12 0.00 -1.00 0.00 0.00 55.97 53.85 2vjx s LYS 273 Cb 0.00 0.40 0.06 0.00 -2.06 0.00 0.00 37.83 36.23 2vjx s LYS 273 CO -0.04 -0.40 0.47 -1.14 0.10 0.00 0.00 175.35 174.33 2vjx s GLN 274 N -3.91 0.48 0.02 1.78 0.74 0.00 -4.98 119.66 113.79 2vjx s GLN 274 Ca 0.12 0.84 -0.22 0.00 0.05 0.00 0.00 55.36 56.15 2vjx s GLN 274 Cb 0.03 0.06 -0.06 0.00 1.10 0.00 0.00 33.01 34.14 2vjx s GLN 274 CO -0.04 -0.14 0.66 -0.65 -0.55 0.00 0.00 175.29 174.56 2vjx s GLN 275 N 1.23 4.38 0.14 1.67 -1.52 -1.26 -0.81 119.66 123.49 2vjx s GLN 275 Ca -0.08 0.86 -0.02 0.00 -1.95 0.00 0.00 55.36 54.17 2vjx s GLN 275 Cb -0.07 -3.34 -0.04 0.00 -0.22 0.00 0.00 33.01 29.35 2vjx s GLN 275 CO -0.12 0.37 0.08 0.14 -0.25 0.00 0.00 175.29 175.52 2vjx s VAL 276 N -0.25 0.09 -0.24 1.09 -7.23 -0.37 -4.99 120.40 108.51 2vjx s VAL 276 Ca 0.34 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2vjx s VAL 276 Cb -0.19 -2.04 0.05 0.00 0.56 0.00 0.00 36.38 34.76 2vjx s VAL 276 CO 0.20 -0.43 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.55 2vjx s THR 277 N -4.04 2.12 0.03 5.32 2.01 -1.26 -0.95 115.64 118.87 2vjx s THR 277 Ca 0.24 -1.50 -0.30 0.00 0.31 0.00 0.00 61.69 60.44 2vjx s THR 277 Cb 0.07 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 2vjx s THR 277 CO 0.02 0.07 1.21 -0.76 -0.69 0.00 0.00 174.62 174.47 2vjx s LEU 278 N 1.15 4.35 0.23 4.42 1.43 0.12 -4.80 118.68 125.57 2vjx s LEU 278 Ca -0.06 1.98 -0.09 0.00 -1.03 0.00 0.00 54.13 54.93 2vjx s LEU 278 Cb -0.19 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.39 2vjx s LEU 278 CO -0.06 -0.51 0.54 -1.10 0.23 0.00 0.00 176.35 175.45 2vjx s GLN 279 N 1.38 3.77 0.40 1.70 -1.52 -1.26 -1.35 119.66 122.79 2vjx s GLN 279 Ca 0.58 0.23 -0.24 0.00 -1.95 0.00 0.00 55.36 53.98 2vjx s GLN 279 Cb -0.29 -2.66 -0.12 0.00 -0.22 0.00 0.00 33.01 29.73 2vjx s GLN 279 CO 0.28 0.31 0.80 -2.30 -0.25 0.00 0.00 175.29 174.13 2vjx n PRO 280 N -0.20 0.97 0.00 2.91 -0.02 -1.26 -4.49 135.00 132.90 2vjx n PRO 280 Ca 0.00 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2vjx n PRO 280 Cb 0.52 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 2vjx n PRO 280 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vjx n GLY 281 N 1.47 -0.48 3.73 -1.23 0.00 -0.17 -4.90 105.19 103.60 2vjx n GLY 281 Ca 0.11 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 2vjx n GLY 281 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vjx s ILE 282 N 0.00 3.93 -0.06 -0.61 -1.09 -1.26 -1.06 121.20 121.05 2vjx s ILE 282 Ca 0.00 1.54 0.05 0.00 -2.23 0.00 0.00 60.65 60.01 2vjx s ILE 282 Cb 0.00 -3.99 -0.00 0.00 -1.58 0.00 0.00 42.46 36.89 2vjx s ILE 282 CO 0.00 0.21 -0.22 0.20 -1.23 0.00 0.00 174.94 173.90 2vjx s ASN 283 N 0.37 2.74 -0.22 3.58 0.01 0.10 -4.92 114.94 116.60 2vjx s ASN 283 Ca 0.53 -0.47 -0.07 0.00 -0.71 0.00 0.00 52.86 52.15 2vjx s ASN 283 Cb -0.29 -0.92 -0.03 0.00 0.41 0.00 0.00 41.25 40.42 2vjx s ASN 283 CO 0.33 0.18 0.05 -1.00 -1.51 0.00 0.00 177.10 175.15 2vjx s HIS 284 N 0.08 3.11 -0.06 2.20 3.76 -1.26 -0.86 115.29 122.25 2vjx s HIS 284 Ca -0.08 -0.31 0.03 0.00 -0.15 0.00 0.00 55.06 54.55 2vjx s HIS 284 Cb -0.14 -2.15 0.01 0.00 1.11 0.00 0.00 32.58 31.40 2vjx s HIS 284 CO 0.05 -0.20 -0.15 0.42 -0.85 0.00 0.00 174.74 174.01 2vjx s ILE 285 N 1.13 1.32 -0.13 0.60 1.01 -0.27 -5.01 121.20 119.85 2vjx s ILE 285 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2vjx s ILE 285 Cb -0.14 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.17 2vjx s ILE 285 CO 0.03 0.39 -0.13 -0.89 0.00 0.00 0.00 174.94 174.34 2vjx s THR 286 N 0.43 1.41 -0.19 2.92 2.01 -1.26 -0.59 115.64 120.38 2vjx s THR 286 Ca -0.12 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.35 2vjx s THR 286 Cb -0.15 -1.34 0.03 0.00 0.01 0.00 0.00 72.50 71.06 2vjx s THR 286 CO 0.04 0.43 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.50 2vjx s LEU 287 N 1.43 2.20 0.49 4.42 1.02 0.19 -4.95 118.68 123.48 2vjx s LEU 287 Ca 0.02 -0.77 -0.21 0.00 0.02 0.00 0.00 54.13 53.19 2vjx s LEU 287 Cb -0.13 -1.31 -0.08 0.00 0.02 0.00 0.00 46.19 44.69 2vjx s LEU 287 CO -0.08 -0.09 1.07 -2.16 0.02 0.00 0.00 176.35 175.11 2vjx s PRO 288 N 1.36 3.73 0.02 1.29 0.04 -1.26 -0.51 135.00 139.67 2vjx s PRO 288 Ca 0.01 1.46 -0.07 0.00 0.04 0.00 0.00 61.00 62.44 2vjx s PRO 288 Cb -0.15 -2.14 -0.00 0.00 0.04 0.00 0.00 34.50 32.25 2vjx s PRO 288 CO -0.10 -0.51 0.13 0.00 0.04 0.00 0.00 177.00 176.56 2vjx s ALA 289 N -1.87 -0.25 0.04 8.56 0.00 -0.46 -4.91 121.76 122.87 2vjx s ALA 289 Ca 0.67 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.42 2vjx s ALA 289 Cb -0.19 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2vjx s ALA 289 CO 0.23 -0.25 -0.15 -1.21 0.00 0.00 0.00 175.76 174.39 2vjx s GLU 290 N -1.80 0.99 -0.26 0.00 2.02 -1.26 -0.43 118.70 117.96 2vjx s GLU 290 Ca -0.12 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.14 2vjx s GLU 290 Cb -0.06 -1.00 0.05 0.00 0.10 0.00 0.00 34.13 33.23 2vjx s GLU 290 CO -0.00 0.25 -0.10 0.08 0.02 0.00 0.00 175.26 175.50 2vjx s VAL 291 N -0.80 2.28 0.46 2.63 1.01 -0.24 -4.84 120.40 120.91 2vjx s VAL 291 Ca 0.02 -1.52 -0.20 0.00 0.00 0.00 0.00 61.98 60.28 2vjx s VAL 291 Cb -0.08 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 2vjx s VAL 291 CO 0.01 0.03 1.00 0.42 0.00 0.00 0.00 175.10 176.56 2vjx s THR 292 N 1.15 4.07 -1.22 3.92 -4.23 -1.26 -0.74 115.64 117.33 2vjx s THR 292 Ca -0.07 1.28 -0.32 0.00 -1.18 0.00 0.00 61.69 61.40 2vjx s THR 292 Cb -0.19 -3.52 0.04 0.00 1.34 0.00 0.00 72.50 70.17 2vjx s THR 292 CO -0.05 -0.29 0.68 0.59 -0.54 0.00 0.00 174.62 175.01 2vjx n ASN 293 N -0.86 -4.15 -4.77 3.99 4.13 0.29 -4.83 115.26 109.07 2vjx n ASN 293 Ca 0.08 -1.26 -0.37 0.00 1.68 0.00 0.00 54.58 54.71 2vjx n ASN 293 Cb 0.53 -1.91 0.00 0.00 -1.54 0.00 0.00 39.78 36.86 2vjx n ASN 293 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2vjx s PRO 294 N -7.24 3.63 -0.36 3.52 0.04 -1.25 -4.97 135.00 128.36 2vjx s PRO 294 Ca 0.48 1.87 -0.19 0.00 0.04 0.00 0.00 61.00 63.20 2vjx s PRO 294 Cb -0.25 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2vjx s PRO 294 CO 0.96 -0.69 0.55 0.08 0.04 0.00 0.00 177.00 177.94 2vjx s VAL 295 N -1.49 4.98 0.43 -0.36 1.01 -1.26 -4.99 120.40 118.71 2vjx s VAL 295 Ca 0.65 0.36 -0.23 0.00 0.00 0.00 0.00 61.98 62.76 2vjx s VAL 295 Cb -0.31 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 2vjx s VAL 295 CO 0.37 -0.27 1.09 -0.13 0.00 0.00 0.00 175.10 176.17 2vjx s ARG 296 N 2.48 4.00 -0.04 2.72 0.52 -1.26 -4.61 118.95 122.76 2vjx s ARG 296 Ca 0.20 1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 56.70 2vjx s ARG 296 Cb -0.15 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.82 2vjx s ARG 296 CO 0.14 -0.30 1.18 -0.46 0.02 0.00 0.00 175.30 175.88 2vjx s TRP 297 N -1.64 3.25 0.06 -0.53 -0.00 -0.13 -4.23 118.94 115.73 2vjx s TRP 297 Ca 0.60 1.27 0.08 0.00 -0.00 0.00 0.00 56.10 58.05 2vjx s TRP 297 Cb -0.24 -3.40 -0.03 0.00 -0.00 0.00 0.00 33.47 29.80 2vjx s TRP 297 CO 0.30 -1.19 -0.21 -1.64 -0.00 0.00 0.00 176.95 174.20 2vjx s MET 298 N 2.03 1.90 0.76 5.86 -1.94 -0.27 -4.69 119.30 122.94 2vjx s MET 298 Ca 0.56 -1.08 -0.11 0.00 -1.71 0.00 0.00 55.69 53.35 2vjx s MET 298 Cb -0.25 -2.10 0.05 0.00 2.01 0.00 0.00 34.83 34.54 2vjx s MET 298 CO 0.23 0.52 1.08 -1.25 -0.01 0.00 0.00 175.02 175.59 2vjx s PRO 299 N -1.55 2.39 0.03 2.03 0.04 -1.26 -3.59 135.00 133.08 2vjx s PRO 299 Ca 0.14 1.11 -0.36 0.00 0.04 0.00 0.00 61.00 61.94 2vjx s PRO 299 Cb -0.10 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 2vjx s PRO 299 CO 0.05 -1.54 1.60 -1.71 0.04 0.00 0.00 177.00 175.45 2vjx n ASN 300 N -3.44 2.70 0.00 6.66 5.15 0.12 -1.03 115.26 125.41 2vjx n ASN 300 Ca 0.09 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.13 2vjx n ASN 300 Cb 0.53 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.47 2vjx n ASN 300 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vjx n GLY 301 N 3.50 2.97 0.23 8.20 0.00 -1.26 -4.72 105.19 114.11 2vjx n GLY 301 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 2vjx n GLY 301 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2vjx n TRP 302 N -1.08 0.15 -0.13 1.61 7.02 -0.20 -4.85 117.44 119.97 2vjx n TRP 302 Ca 0.00 -0.43 0.00 0.00 -1.02 0.00 0.00 57.50 56.05 2vjx n TRP 302 Cb 0.00 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 28.85 2vjx n TRP 302 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2vjx n GLY 303 N -0.07 0.70 3.80 6.99 0.00 -1.24 -4.85 105.19 110.53 2vjx n GLY 303 Ca 0.04 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 2vjx n GLY 303 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vjx s THR 304 N -3.65 5.07 -1.42 2.61 2.01 -1.26 -4.73 115.64 114.28 2vjx s THR 304 Ca 0.00 0.85 -0.09 0.00 0.31 0.00 0.00 61.69 62.76 2vjx s THR 304 Cb 0.00 -3.73 0.06 0.00 0.01 0.00 0.00 72.50 68.84 2vjx s THR 304 CO 0.00 0.51 2.36 -0.81 -0.69 0.00 0.00 174.62 176.00 2vjx n PRO 305 N 2.33 3.75 -1.77 4.92 -0.04 -1.24 -1.12 135.00 141.84 2vjx n PRO 305 Ca -0.12 -2.98 -0.42 0.00 -0.04 0.00 0.00 63.50 59.94 2vjx n PRO 305 Cb 0.52 -2.89 -0.03 0.00 -0.04 0.00 0.00 33.50 31.06 2vjx n PRO 305 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2vjx s THR 306 N 1.00 2.11 -0.12 0.52 2.01 -1.26 -4.77 115.64 115.13 2vjx s THR 306 Ca 0.53 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.62 2vjx s THR 306 Cb 0.15 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.63 2vjx s THR 306 CO -0.06 0.01 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.99 2vjx s LEU 307 N 0.78 1.58 0.61 4.42 1.43 -1.26 -4.18 118.68 122.05 2vjx s LEU 307 Ca 0.71 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 2vjx s LEU 307 Cb -0.48 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2vjx s LEU 307 CO 0.36 -0.04 1.03 -0.31 0.23 0.00 0.00 176.35 177.61 2vjx s TYR 308 N 1.31 3.52 -0.28 0.29 2.02 0.24 -4.75 117.35 119.71 2vjx s TYR 308 Ca -0.00 1.34 -0.07 0.00 -0.37 0.00 0.00 57.07 57.97 2vjx s TYR 308 Cb -0.14 -2.76 -0.01 0.00 -0.40 0.00 0.00 41.96 38.66 2vjx s TYR 308 CO -0.06 -0.70 0.09 -0.51 -1.57 0.00 0.00 175.55 172.80 2vjx s ASP 309 N -3.89 5.17 -0.27 2.29 1.01 0.57 -0.73 116.67 120.82 2vjx s ASP 309 Ca 0.56 -0.47 -0.08 0.00 0.71 0.00 0.00 52.55 53.27 2vjx s ASP 309 Cb -0.11 -1.91 -0.03 0.00 1.01 0.00 0.00 42.92 41.88 2vjx s ASP 309 CO 0.49 -0.13 0.11 -0.36 0.21 0.00 0.00 175.17 175.49 2vjx s PHE 310 N 1.56 3.13 -0.14 4.23 0.40 -0.24 -0.74 117.98 126.18 2vjx s PHE 310 Ca 0.05 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2vjx s PHE 310 Cb -0.16 -2.29 0.01 0.00 0.51 0.00 0.00 43.02 41.09 2vjx s PHE 310 CO 0.03 -0.34 -0.22 0.45 0.70 0.00 0.00 175.22 175.84 2vjx s SER 311 N 1.64 3.12 -0.17 1.36 0.15 0.15 -1.16 113.70 118.80 2vjx s SER 311 Ca 0.06 -0.61 -0.05 0.00 0.70 0.00 0.00 55.95 56.05 2vjx s SER 311 Cb -0.16 -1.45 -0.03 0.00 -1.71 0.00 0.00 66.02 62.67 2vjx s SER 311 CO 0.05 0.07 0.00 0.00 1.20 0.00 0.00 173.24 174.57 2vjx s ALA 312 N 0.86 3.16 0.07 5.45 0.00 -0.03 -0.73 121.76 130.54 2vjx s ALA 312 Ca -0.06 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.18 2vjx s ALA 312 Cb -0.15 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2vjx s ALA 312 CO -0.03 0.20 -0.18 -0.65 0.00 0.00 0.00 175.76 175.10 2vjx s GLN 313 N 0.37 1.06 -0.26 0.00 -0.21 0.85 -1.47 119.66 119.99 2vjx s GLN 313 Ca -0.01 -1.00 -0.06 0.00 0.02 0.00 0.00 55.36 54.31 2vjx s GLN 313 Cb -0.13 -1.19 -0.01 0.00 1.00 0.00 0.00 33.01 32.68 2vjx s GLN 313 CO 0.02 0.28 0.05 0.42 -2.12 0.00 0.00 175.29 173.94 2vjx s ILE 314 N -1.06 4.00 -0.16 1.08 -1.09 -0.04 -0.87 121.20 123.05 2vjx s ILE 314 Ca 0.04 -0.42 -0.01 0.00 -2.23 0.00 0.00 60.65 58.02 2vjx s ILE 314 Cb -0.09 -2.93 -0.01 0.00 -1.58 0.00 0.00 42.46 37.85 2vjx s ILE 314 CO 0.03 0.26 -0.10 0.00 -1.23 0.00 0.00 174.94 173.90 2vjx s ALA 315 N 1.55 2.67 -0.30 9.38 0.00 -0.08 -1.43 121.76 133.55 2vjx s ALA 315 Ca 0.05 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2vjx s ALA 315 Cb -0.16 -1.38 0.08 0.00 0.00 0.00 0.00 23.12 21.67 2vjx s ALA 315 CO 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 175.76 175.76 2vjx n GLY 317 N 4.40 0.00 0.00 0.00 0.00 -1.26 -4.78 105.19 103.54 2vjx n GLY 317 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2vjx n GLY 317 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2vjx n ARG 319 N -0.51 0.00 -2.98 1.61 1.85 -1.26 -5.14 116.66 110.23 2vjx n ARG 319 Ca 0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.41 2vjx n ARG 319 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 2vjx n ARG 319 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2vjx s ILE 320 N -2.53 4.56 -0.01 8.89 -1.09 -1.26 -4.36 121.20 125.41 2vjx s ILE 320 Ca 0.00 -0.60 0.15 0.00 -2.23 0.00 0.00 60.65 57.97 2vjx s ILE 320 Cb 0.00 -4.58 0.04 0.00 -1.58 0.00 0.00 42.46 36.34 2vjx s ILE 320 CO 0.00 -1.27 1.50 -0.37 -1.23 0.00 0.00 174.94 173.57 2vjx h VAL 321 N 5.95 1.02 -2.74 2.92 -1.51 -1.57 0.84 116.25 121.15 2vjx h VAL 321 Ca -0.29 -2.22 -0.12 0.00 -1.23 0.00 0.00 66.70 62.84 2vjx h VAL 321 Cb 1.08 2.35 -0.24 0.00 -2.13 0.00 0.00 31.29 32.34 2vjx h VAL 321 CO 1.13 0.54 -0.24 0.00 -1.23 0.00 0.00 177.57 177.77 2vjx s ALA 322 N -3.12 -1.01 -0.02 5.19 0.00 -1.22 -4.31 121.76 117.27 2vjx s ALA 322 Ca 0.02 1.17 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 2vjx s ALA 322 Cb 0.09 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.53 2vjx s ALA 322 CO 0.74 -0.20 0.13 -2.00 0.00 0.00 0.00 175.76 174.44 2vjx s GLU 323 N 0.28 0.34 -0.12 0.00 -6.30 -1.26 -0.86 118.70 110.78 2vjx s GLU 323 Ca -0.01 -0.14 -0.10 0.00 -2.50 0.00 0.00 54.97 52.23 2vjx s GLU 323 Cb -0.03 0.14 0.03 0.00 0.00 0.00 0.00 34.13 34.28 2vjx s GLU 323 CO -0.00 -0.07 0.31 -1.14 0.02 0.00 0.00 175.26 174.38 2vjx s GLN 324 N -0.73 0.34 0.16 4.30 2.00 -0.54 -4.91 119.66 120.28 2vjx s GLN 324 Ca -0.08 0.46 0.09 0.00 -2.00 0.00 0.00 55.36 53.82 2vjx s GLN 324 Cb -0.05 0.13 -0.04 0.00 0.80 0.00 0.00 33.01 33.85 2vjx s GLN 324 CO 0.01 -0.06 -0.20 -1.12 -0.50 0.00 0.00 175.29 173.42 2vjx s SER 325 N 0.35 2.76 0.04 6.67 0.01 -1.26 -0.85 113.70 121.41 2vjx s SER 325 Ca -0.02 -0.83 0.02 0.00 1.31 0.00 0.00 55.95 56.44 2vjx s SER 325 Cb -0.03 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 2vjx s SER 325 CO -0.01 0.01 -0.08 -1.00 0.41 0.00 0.00 173.24 172.57 2vjx s HIS 326 N -1.81 0.65 0.07 2.43 3.76 -0.30 -5.00 115.29 115.09 2vjx s HIS 326 Ca 0.14 -0.44 -0.27 0.00 -0.15 0.00 0.00 55.06 54.34 2vjx s HIS 326 Cb -0.07 -0.39 -0.06 0.00 1.11 0.00 0.00 32.58 33.17 2vjx s HIS 326 CO 0.07 -0.07 0.85 1.03 -0.85 0.00 0.00 174.74 175.76 2vjx s ARG 327 N -1.38 4.58 -0.08 1.40 0.52 -1.26 -1.08 118.95 121.65 2vjx s ARG 327 Ca -0.08 1.23 0.03 0.00 -0.52 0.00 0.00 55.73 56.38 2vjx s ARG 327 Cb -0.09 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 32.02 2vjx s ARG 327 CO 0.00 0.26 -0.15 0.42 0.02 0.00 0.00 175.30 175.85 2vjx s ILE 328 N -0.05 1.39 -0.16 1.52 -1.09 0.09 -4.72 121.20 118.18 2vjx s ILE 328 Ca 0.42 -0.62 -0.06 0.00 -2.23 0.00 0.00 60.65 58.15 2vjx s ILE 328 Cb -0.22 -1.25 -0.04 0.00 -1.58 0.00 0.00 42.46 39.38 2vjx s ILE 328 CO 0.26 0.41 0.06 -0.83 -1.23 0.00 0.00 174.94 173.61 2vjx s GLY 329 N 0.61 1.92 -0.48 6.18 0.00 -1.26 -0.59 107.32 113.70 2vjx s GLY 329 Ca -0.15 -0.75 -0.17 0.00 0.00 0.00 0.00 44.72 43.66 2vjx s GLY 329 CO 0.05 -0.10 0.48 1.08 0.00 0.00 0.00 173.10 174.61 2vjx s LEU 330 N 0.01 5.32 0.21 0.66 1.43 -1.26 -4.77 118.68 120.28 2vjx s LEU 330 Ca 0.06 -1.12 -0.22 0.00 -1.03 0.00 0.00 54.13 51.82 2vjx s LEU 330 Cb -0.12 -2.29 0.05 0.00 0.03 0.00 0.00 46.19 43.85 2vjx s LEU 330 CO 0.01 -0.73 0.64 0.00 0.23 0.00 0.00 176.35 176.50 2vjx s ARG 331 N 2.04 1.50 -0.08 1.70 3.03 -1.26 -0.96 118.95 124.93 2vjx s ARG 331 Ca 0.09 -0.72 0.00 0.00 2.03 0.00 0.00 55.73 57.13 2vjx s ARG 331 Cb -0.22 0.59 -0.03 0.00 -1.03 0.00 0.00 34.95 34.27 2vjx s ARG 331 CO 0.09 -0.67 -0.06 0.95 -1.13 0.00 0.00 175.30 174.48 2vjx s THR 332 N -3.83 3.78 -0.12 4.99 -4.23 -1.26 -4.98 115.64 109.99 2vjx s THR 332 Ca 0.06 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 2vjx s THR 332 Cb -0.03 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.27 2vjx s THR 332 CO -0.04 0.59 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.90 2vjx s ILE 333 N -0.72 1.26 -0.09 2.99 1.01 -1.26 -0.67 121.20 123.72 2vjx s ILE 333 Ca 0.11 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.35 2vjx s ILE 333 Cb -0.11 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.14 2vjx s ILE 333 CO 0.02 0.40 -0.21 -0.60 0.00 0.00 0.00 174.94 174.56 2vjx s ARG 334 N 1.52 2.60 -0.25 2.79 3.52 -0.15 -4.93 118.95 124.05 2vjx s ARG 334 Ca 0.03 -0.74 -0.17 0.00 -0.13 0.00 0.00 55.73 54.72 2vjx s ARG 334 Cb -0.13 -2.01 -0.03 0.00 -1.56 0.00 0.00 34.95 31.21 2vjx s ARG 334 CO -0.08 0.15 0.45 0.08 -0.81 0.00 0.00 175.30 175.09 2vjx s VAL 335 N 0.39 5.13 -0.36 7.11 1.01 -1.26 -0.08 120.40 132.33 2vjx s VAL 335 Ca -0.16 0.76 -0.13 0.00 0.00 0.00 0.00 61.98 62.44 2vjx s VAL 335 Cb -0.17 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2vjx s VAL 335 CO 0.07 0.14 0.26 -0.69 0.00 0.00 0.00 175.10 174.88 2vjx s VAL 336 N 2.03 5.28 -0.42 2.92 1.01 0.30 -4.95 120.40 126.57 2vjx s VAL 336 Ca 0.19 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2vjx s VAL 336 Cb -0.16 -3.78 0.14 0.00 0.00 0.00 0.00 36.38 32.59 2vjx s VAL 336 CO 0.09 -0.10 0.24 0.21 0.00 0.00 0.00 175.10 175.55 2vjx s ASN 337 N 1.71 3.33 0.01 3.32 3.04 -1.26 -1.76 114.94 123.33 2vjx s ASN 337 Ca 0.06 -2.55 0.02 0.00 0.04 0.00 0.00 52.86 50.42 2vjx s ASN 337 Cb -0.18 -0.82 -0.01 0.00 -1.54 0.00 0.00 41.25 38.70 2vjx s ASN 337 CO 0.10 -0.27 -0.06 -1.61 -3.04 0.00 0.00 177.10 172.23 2vjx s GLU 338 N 0.50 0.45 0.33 0.43 2.02 -1.24 -4.91 118.70 116.29 2vjx s GLU 338 Ca 0.19 -0.37 -0.29 0.00 0.02 0.00 0.00 54.97 54.51 2vjx s GLU 338 Cb -0.21 -0.35 -0.11 0.00 0.10 0.00 0.00 34.13 33.55 2vjx s GLU 338 CO -0.01 0.09 1.55 0.15 0.02 0.00 0.00 175.26 177.06 2vjx s LYS 339 N -0.61 4.11 0.37 1.61 1.02 -1.26 -1.10 119.74 123.87 2vjx s LYS 339 Ca -0.02 2.59 -0.05 0.00 0.02 0.00 0.00 55.97 58.51 2vjx s LYS 339 Cb -0.05 -2.99 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 2vjx s LYS 339 CO -0.00 -0.60 0.57 -0.40 -0.92 0.00 0.00 175.35 174.00 2vjx n ASP 340 N 1.36 -1.63 0.28 2.83 5.68 -0.39 -4.88 116.55 119.80 2vjx n ASP 340 Ca 0.05 -2.83 0.13 0.00 -0.50 0.00 0.00 54.79 51.64 2vjx n ASP 340 Cb 0.38 2.91 0.83 0.00 -1.14 0.00 0.00 41.12 44.10 2vjx n ASP 340 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2vjx h LYS 341 N 0.00 0.00 -0.01 0.11 2.10 -2.00 -1.76 116.57 115.01 2vjx h LYS 341 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2vjx h LYS 341 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2vjx h LYS 341 CO 0.39 0.02 -0.38 -0.25 -2.00 0.00 0.00 179.45 177.22 2vjx n ASP 342 N -3.98 1.34 0.00 7.07 8.00 -1.26 -5.04 116.55 122.68 2vjx n ASP 342 Ca -0.03 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2vjx n ASP 342 Cb 0.11 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 2vjx n ASP 342 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vjx n GLY 343 N 1.38 0.90 2.74 0.44 0.00 -0.66 -4.50 105.19 105.50 2vjx n GLY 343 Ca 0.10 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 2vjx n GLY 343 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vjx s GLU 344 N 0.00 0.06 0.92 1.61 2.02 -0.20 -1.27 118.70 121.84 2vjx s GLU 344 Ca 0.00 0.30 -0.11 0.00 0.02 0.00 0.00 54.97 55.19 2vjx s GLU 344 Cb 0.00 -0.90 0.15 0.00 0.10 0.00 0.00 34.13 33.48 2vjx s GLU 344 CO 0.00 -0.48 1.11 -1.54 0.02 0.00 0.00 175.26 174.37 2vjx s SER 345 N 2.25 3.00 -0.33 -0.19 1.04 -0.26 -1.00 113.70 118.22 2vjx s SER 345 Ca 0.04 1.96 0.05 0.00 0.48 0.00 0.00 55.95 58.48 2vjx s SER 345 Cb -0.14 -2.49 0.18 0.00 0.10 0.00 0.00 66.02 63.67 2vjx s SER 345 CO -0.08 -3.01 0.50 0.12 0.98 0.00 0.00 173.24 171.76 2vjx s PHE 346 N -2.70 -1.32 0.19 5.02 5.36 -1.21 -3.59 117.98 119.73 2vjx s PHE 346 Ca 0.66 0.39 -0.12 0.00 -0.96 0.00 0.00 56.93 56.89 2vjx s PHE 346 Cb -0.22 0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 2vjx s PHE 346 CO 0.58 -1.06 0.40 1.52 -1.46 0.00 0.00 175.22 175.21 2vjx s TYR 347 N 2.34 0.25 -0.15 10.12 -0.85 -0.72 -4.57 117.35 123.76 2vjx s TYR 347 Ca 0.12 -0.61 -0.04 0.00 -0.52 0.00 0.00 57.07 56.02 2vjx s TYR 347 Cb -0.10 0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.33 2vjx s TYR 347 CO -0.21 -0.84 -0.02 -0.06 -1.52 0.00 0.00 175.55 172.90 2vjx s PHE 348 N -3.96 3.07 -0.25 -3.49 0.08 -1.26 -0.54 117.98 111.63 2vjx s PHE 348 Ca 0.17 -0.20 -0.07 0.00 0.12 0.00 0.00 56.93 56.95 2vjx s PHE 348 Cb 0.01 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 2vjx s PHE 348 CO 0.02 0.03 0.05 -2.00 -0.10 0.00 0.00 175.22 173.22 2vjx s GLU 349 N 0.27 3.49 -0.17 0.44 2.12 0.88 -0.69 118.70 125.04 2vjx s GLU 349 Ca -0.02 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.74 2vjx s GLU 349 Cb -0.14 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 30.99 2vjx s GLU 349 CO 0.02 -0.24 -0.17 0.08 -0.54 0.00 0.00 175.26 174.42 2vjx s VAL 350 N 1.57 2.45 -1.45 3.70 1.01 0.69 -0.98 120.40 127.39 2vjx s VAL 350 Ca 0.06 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 2vjx s VAL 350 Cb -0.15 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.24 2vjx s VAL 350 CO 0.02 0.52 0.72 0.59 0.00 0.00 0.00 175.10 176.95 2vjx n ASN 351 N 4.35 -4.95 0.00 3.32 3.02 0.15 -1.65 115.26 119.50 2vjx n ASN 351 Ca -0.20 -0.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 2vjx n ASN 351 Cb 0.51 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 2vjx n ASN 351 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vjx n GLY 352 N -1.49 0.91 3.25 7.41 0.00 -1.26 -4.99 105.19 109.02 2vjx n GLY 352 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2vjx n GLY 352 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vjx s ILE 353 N -3.64 2.30 0.19 -0.61 1.01 -0.66 -5.07 121.20 114.72 2vjx s ILE 353 Ca 0.00 -0.93 -0.32 0.00 0.00 0.00 0.00 60.65 59.40 2vjx s ILE 353 Cb 0.00 -1.91 -0.11 0.00 0.01 0.00 0.00 42.46 40.45 2vjx s ILE 353 CO 0.00 0.55 1.73 -2.84 0.00 0.00 0.00 174.94 174.38 2vjx s PRO 354 N 0.39 4.14 -0.20 2.79 0.02 -1.26 -0.22 135.00 140.65 2vjx s PRO 354 Ca -0.16 2.58 -0.01 0.00 0.02 0.00 0.00 61.00 63.43 2vjx s PRO 354 Cb -0.17 -3.19 0.01 0.00 0.02 0.00 0.00 34.50 31.17 2vjx s PRO 354 CO 0.07 -0.76 -0.13 1.41 -0.33 0.00 0.00 177.00 177.27 2vjx s MET 355 N 1.50 3.06 -0.09 5.54 1.75 0.13 -4.89 119.30 126.30 2vjx s MET 355 Ca 0.76 -0.80 -0.30 0.00 -1.25 0.00 0.00 55.69 54.10 2vjx s MET 355 Cb -0.48 -2.77 -0.04 0.00 2.84 0.00 0.00 34.83 34.37 2vjx s MET 355 CO 0.33 -0.24 1.57 0.12 -0.65 0.00 0.00 175.02 176.14 2vjx s PHE 356 N 1.35 2.17 0.14 4.11 5.36 -1.26 -4.30 117.98 125.55 2vjx s PHE 356 Ca 0.04 0.39 -0.30 0.00 -0.96 0.00 0.00 56.93 56.10 2vjx s PHE 356 Cb -0.14 -3.83 -0.07 0.00 -0.34 0.00 0.00 43.02 38.64 2vjx s PHE 356 CO -0.09 -3.33 1.04 0.00 -1.46 0.00 0.00 175.22 171.39 2vjx s ALA 357 N 4.01 3.31 -0.18 11.12 0.00 -0.89 -4.95 121.76 134.18 2vjx s ALA 357 Ca 0.69 0.70 -0.03 0.00 0.00 0.00 0.00 51.96 53.32 2vjx s ALA 357 Cb -0.30 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.56 2vjx s ALA 357 CO 0.26 -0.13 0.05 0.15 0.00 0.00 0.00 175.76 176.09 2vjx s LYS 358 N -0.14 0.51 0.00 0.00 1.02 -1.26 -0.94 119.74 118.94 2vjx s LYS 358 Ca 0.49 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.15 2vjx s LYS 358 Cb -0.27 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 2vjx s LYS 358 CO 0.32 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 2vjx n GLY 359 N 5.11 1.57 3.38 -3.33 0.00 -0.37 -0.44 105.19 111.10 2vjx n GLY 359 Ca -0.08 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2vjx n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vjx s ALA 360 N -1.00 -0.73 -0.07 4.61 0.00 -1.20 -1.88 121.76 121.50 2vjx s ALA 360 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 51.96 51.43 2vjx s ALA 360 Cb 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 2vjx s ALA 360 CO 0.00 -0.69 0.74 -0.80 0.00 0.00 0.00 175.76 175.02 2vjx s ASN 361 N -2.86 7.03 -0.13 0.00 0.01 0.21 -1.40 114.94 117.81 2vjx s ASN 361 Ca 0.07 1.24 -0.04 0.00 -0.71 0.00 0.00 52.86 53.43 2vjx s ASN 361 Cb 0.01 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.21 2vjx s ASN 361 CO -0.07 -0.15 0.01 -0.47 -1.51 0.00 0.00 177.10 174.91 2vjx s TYR 362 N 0.92 3.16 0.44 2.20 5.04 0.90 -0.08 117.35 129.93 2vjx s TYR 362 Ca 0.39 0.06 0.06 0.00 -2.44 0.00 0.00 57.07 55.14 2vjx s TYR 362 Cb -0.18 -1.90 -0.05 0.00 0.35 0.00 0.00 41.96 40.19 2vjx s TYR 362 CO 0.19 0.28 0.11 0.96 -1.34 0.00 0.00 175.55 175.75 2vjx s ILE 363 N -0.30 1.92 0.49 3.14 -4.36 -1.26 -2.35 121.20 118.48 2vjx s ILE 363 Ca 0.07 -1.84 -0.24 0.00 -0.26 0.00 0.00 60.65 58.38 2vjx s ILE 363 Cb -0.12 -2.76 -0.07 0.00 1.25 0.00 0.00 42.46 40.76 2vjx s ILE 363 CO 0.02 0.00 1.39 -2.65 0.24 0.00 0.00 174.94 173.94 2vjx n PRO 364 N -1.20 1.99 0.00 0.37 -0.02 -1.26 -4.89 135.00 129.99 2vjx n PRO 364 Ca -0.06 0.72 0.14 0.00 -2.02 0.00 0.00 63.50 62.28 2vjx n PRO 364 Cb 0.66 -2.58 0.70 0.00 -0.02 0.00 0.00 33.50 32.25 2vjx n PRO 364 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2vjx n GLN 365 N -0.51 0.32 -3.55 -0.52 6.02 -1.26 -3.69 117.38 114.18 2vjx n GLN 365 Ca 0.07 0.01 -0.17 0.00 -0.01 0.00 0.00 57.00 56.91 2vjx n GLN 365 Cb 0.43 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.12 2vjx n GLN 365 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2vjx s ASP 366 N -2.66 -0.69 0.53 1.08 -1.08 -1.25 -4.40 116.67 108.20 2vjx s ASP 366 Ca 0.24 0.94 0.23 0.00 -0.52 0.00 0.00 52.55 53.45 2vjx s ASP 366 Cb 0.19 0.83 1.39 0.00 -1.46 0.00 0.00 42.92 43.86 2vjx s ASP 366 CO 0.46 -0.50 2.06 0.00 0.52 0.00 0.00 175.17 177.70 2vjx h ALA 367 N 3.62 2.27 -3.61 3.66 0.00 -1.76 -3.35 119.26 120.09 2vjx h ALA 367 Ca -0.28 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 53.96 2vjx h ALA 367 Cb 1.15 0.02 -0.39 0.00 0.00 0.00 0.00 17.79 18.57 2vjx h ALA 367 CO 0.28 -0.41 -0.69 -0.51 0.00 0.00 0.00 179.25 177.92 2vjx s LEU 368 N -8.72 4.82 0.24 0.00 1.43 -1.26 -4.95 118.68 110.24 2vjx s LEU 368 Ca -0.05 -2.17 -0.05 0.00 -1.03 0.00 0.00 54.13 50.83 2vjx s LEU 368 Cb 0.18 -1.66 0.35 0.00 0.03 0.00 0.00 46.19 45.10 2vjx s LEU 368 CO 0.69 -0.40 1.84 -0.07 0.23 0.00 0.00 176.35 178.64 2vjx h LEU 369 N 7.63 0.77 -0.12 1.79 3.38 -1.97 -0.88 115.31 125.92 2vjx h LEU 369 Ca -0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2vjx h LEU 369 Cb 1.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2vjx h LEU 369 CO 0.55 0.48 0.00 -2.65 0.09 0.00 0.00 178.44 176.91 2vjx n PRO 370 N -4.67 0.03 0.10 1.13 -0.02 -1.26 -1.65 135.00 128.66 2vjx n PRO 370 Ca 0.13 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 2vjx n PRO 370 Cb 0.21 -1.55 0.45 0.00 -0.02 0.00 0.00 33.50 32.59 2vjx n PRO 370 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2vjx n ASN 371 N -1.60 0.63 -4.63 2.55 3.02 -0.34 -4.70 115.26 110.19 2vjx n ASN 371 Ca 0.03 0.60 -0.43 0.00 -0.03 0.00 0.00 54.58 54.75 2vjx n ASN 371 Cb 0.14 -0.76 -0.02 0.00 -0.61 0.00 0.00 39.78 38.53 2vjx n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2vjx s VAL 372 N -3.18 4.37 0.44 2.41 1.01 -0.66 -5.00 120.40 119.79 2vjx s VAL 372 Ca 0.08 1.56 -0.03 0.00 0.00 0.00 0.00 61.98 63.58 2vjx s VAL 372 Cb 0.11 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2vjx s VAL 372 CO 0.48 -0.54 0.71 0.42 0.00 0.00 0.00 175.10 176.17 2vjx s THR 373 N 3.93 4.97 0.28 3.92 -4.23 -1.26 -4.94 115.64 118.32 2vjx s THR 373 Ca 0.49 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 2vjx s THR 373 Cb -0.13 -3.86 0.28 0.00 1.34 0.00 0.00 72.50 70.13 2vjx s THR 373 CO 0.19 -0.76 1.69 0.74 -0.54 0.00 0.00 174.62 175.94 2vjx h THR 374 N 0.38 0.47 -0.23 3.99 2.02 -1.98 -1.69 112.91 115.87 2vjx h THR 374 Ca -0.48 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 2vjx h THR 374 Cb 1.21 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2vjx h THR 374 CO 0.62 0.07 -0.28 -0.08 0.37 0.00 0.00 175.52 176.22 2vjx h GLU 375 N 0.37 0.46 -0.30 6.66 4.81 -1.99 -0.42 114.58 124.18 2vjx h GLU 375 Ca 0.54 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.53 2vjx h GLU 375 Cb 1.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2vjx h GLU 375 CO -0.53 0.69 -0.04 0.00 -0.73 0.00 0.00 179.01 178.40 2vjx h ARG 376 N 0.40 0.55 -0.52 1.92 3.08 -1.70 -0.47 114.38 117.63 2vjx h ARG 376 Ca 0.06 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 59.96 2vjx h ARG 376 Cb 0.69 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 2vjx h ARG 376 CO 0.05 0.72 0.27 1.88 -1.07 0.00 0.00 179.97 181.82 2vjx h TYR 377 N 0.32 0.50 -0.83 3.04 0.05 -1.17 -1.30 116.97 117.59 2vjx h TYR 377 Ca 0.08 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 2vjx h TYR 377 Cb 0.50 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.05 2vjx h TYR 377 CO 0.04 0.25 0.48 1.96 -1.05 0.00 0.00 178.16 179.84 2vjx h GLN 378 N 0.53 1.14 -0.29 4.88 4.20 -0.89 -2.37 115.11 122.31 2vjx h GLN 378 Ca 0.23 -0.12 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 2vjx h GLN 378 Cb 0.12 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2vjx h GLN 378 CO -0.15 0.82 -0.38 1.15 -0.67 0.00 0.00 178.83 179.60 2vjx h THR 379 N 1.14 1.29 -0.65 -0.54 2.02 -0.84 -1.58 112.91 113.75 2vjx h THR 379 Ca 0.29 -1.55 -0.06 0.00 0.77 0.00 0.00 66.41 65.86 2vjx h THR 379 Cb -0.00 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2vjx h THR 379 CO -0.05 0.50 0.16 0.25 0.37 0.00 0.00 175.52 176.75 2vjx h LEU 380 N 0.56 0.97 -0.62 2.58 5.85 -0.94 -0.08 115.31 123.63 2vjx h LEU 380 Ca 0.05 -0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.43 2vjx h LEU 380 Cb 0.91 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2vjx h LEU 380 CO 0.08 0.94 -0.47 -0.26 -0.34 0.00 0.00 178.44 178.39 2vjx h PHE 381 N 0.98 0.65 -0.98 1.25 -1.00 -1.23 -1.68 116.94 114.92 2vjx h PHE 381 Ca 0.21 -0.21 0.06 0.00 2.81 0.00 0.00 57.97 60.84 2vjx h PHE 381 Cb 0.35 -0.13 -0.07 0.00 3.61 0.00 0.00 35.95 39.71 2vjx h PHE 381 CO 0.02 0.91 0.63 -0.09 -1.61 0.00 0.00 178.31 178.17 2vjx h ARG 382 N 0.43 1.12 -0.54 1.51 2.43 -0.86 0.71 114.38 119.17 2vjx h ARG 382 Ca 0.02 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2vjx h ARG 382 Cb 0.98 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 2vjx h ARG 382 CO 0.09 0.74 0.07 -0.44 -1.51 0.00 0.00 179.97 178.92 2vjx h ASP 383 N 1.16 0.83 -0.06 -3.80 3.32 -0.57 0.37 116.42 117.67 2vjx h ASP 383 Ca 0.42 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 2vjx h ASP 383 Cb 0.15 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2vjx h ASP 383 CO -0.17 0.86 -0.13 0.24 -1.72 0.00 0.00 179.24 178.32 2vjx h MET 384 N 0.83 0.19 -0.63 3.56 2.86 -0.92 -2.63 114.93 118.19 2vjx h MET 384 Ca 0.17 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2vjx h MET 384 Cb 0.40 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 2vjx h MET 384 CO 0.01 0.73 0.39 -0.22 1.06 0.00 0.00 176.91 178.88 2vjx h LYS 385 N -0.32 0.84 0.00 1.72 3.64 -0.78 -2.27 116.57 119.40 2vjx h LYS 385 Ca -0.00 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2vjx h LYS 385 Cb 0.73 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2vjx h LYS 385 CO 0.03 0.59 -0.12 0.93 -2.27 0.00 0.00 179.45 178.61 2vjx h GLU 386 N 0.85 0.00 -0.58 1.90 5.08 -0.96 -1.59 114.58 119.27 2vjx h GLU 386 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2vjx h GLU 386 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2vjx h GLU 386 CO -0.04 0.12 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 2vjx n ALA 387 N -2.21 2.84 -2.01 3.43 0.00 -0.90 -4.89 120.51 116.77 2vjx n ALA 387 Ca -0.01 -0.89 -0.15 0.00 0.00 0.00 0.00 53.44 52.39 2vjx n ALA 387 Cb 0.29 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 2vjx n ALA 387 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2vjx n ASN 388 N 0.54 -4.58 -4.82 0.00 3.02 -0.60 -3.89 115.26 104.93 2vjx n ASN 388 Ca 0.15 0.11 -0.33 0.00 -0.03 0.00 0.00 54.58 54.47 2vjx n ASN 388 Cb 0.56 -3.61 -0.05 0.00 -0.61 0.00 0.00 39.78 36.06 2vjx n ASN 388 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2vjx s MET 389 N -4.27 4.03 0.00 3.52 -1.94 -0.91 -4.89 119.30 114.84 2vjx s MET 389 Ca 0.00 1.10 0.00 0.00 -1.71 0.00 0.00 55.69 55.08 2vjx s MET 389 Cb 0.00 -2.15 0.00 0.00 2.01 0.00 0.00 34.83 34.69 2vjx s MET 389 CO 0.00 -0.21 0.49 0.27 -0.01 0.00 0.00 175.02 175.57 2vjx n ASN 390 N -1.07 0.73 -3.67 3.03 0.23 0.41 -4.71 115.26 110.22 2vjx n ASN 390 Ca 0.07 -1.24 -0.15 0.00 -0.53 0.00 0.00 54.58 52.73 2vjx n ASN 390 Cb 0.54 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.16 2vjx n ASN 390 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2vjx s MET 391 N -0.24 0.77 -0.02 -3.83 0.00 -1.11 -0.61 119.30 114.25 2vjx s MET 391 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 55.69 55.96 2vjx s MET 391 Cb 0.00 0.36 0.01 0.00 0.00 0.00 0.00 34.83 35.20 2vjx s MET 391 CO 0.00 -0.19 -0.05 0.54 0.00 0.00 0.00 175.02 175.32 2vjx s VAL 392 N -0.75 0.48 -0.26 10.11 0.11 0.13 -3.21 120.40 127.01 2vjx s VAL 392 Ca -0.08 -0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 58.66 2vjx s VAL 392 Cb -0.03 -0.45 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 2vjx s VAL 392 CO 0.05 0.17 0.26 -0.60 -3.33 0.00 0.00 175.10 171.65 2vjx s ARG 393 N 0.35 4.01 -0.73 1.54 3.52 -0.49 -1.45 118.95 125.70 2vjx s ARG 393 Ca -0.04 -0.15 -0.21 0.00 -0.13 0.00 0.00 55.73 55.19 2vjx s ARG 393 Cb -0.08 -3.63 0.09 0.00 -1.56 0.00 0.00 34.95 29.77 2vjx s ARG 393 CO -0.00 -0.16 0.98 0.42 -0.81 0.00 0.00 175.30 175.74 2vjx s ILE 394 N 1.69 4.49 0.41 4.11 1.01 0.14 -0.07 121.20 132.97 2vjx s ILE 394 Ca 0.11 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 2vjx s ILE 394 Cb -0.15 -4.69 -0.09 0.00 0.01 0.00 0.00 42.46 37.54 2vjx s ILE 394 CO 0.09 -1.44 1.29 0.86 0.00 0.00 0.00 174.94 175.75 2vjx s TRP 395 N 3.54 2.84 -2.00 3.97 -0.00 -0.99 -1.90 118.94 124.39 2vjx s TRP 395 Ca 0.24 1.42 0.11 0.00 -0.00 0.00 0.00 56.10 57.87 2vjx s TRP 395 Cb -0.14 -3.65 0.65 0.00 -0.00 0.00 0.00 33.47 30.33 2vjx s TRP 395 CO 0.04 -2.03 1.08 0.41 -0.00 0.00 0.00 176.95 176.46 2vjx n GLY 396 N 0.67 -0.36 1.15 5.86 0.00 -1.26 -2.68 105.19 108.57 2vjx n GLY 396 Ca 0.04 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.10 2vjx n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vjx n GLY 397 N -0.28 1.82 0.00 -0.02 0.00 -1.26 -1.76 105.19 103.69 2vjx n GLY 397 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2vjx n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vjx n GLY 398 N 1.51 0.84 3.40 -0.02 0.00 -1.09 -1.05 105.19 108.78 2vjx n GLY 398 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 2vjx n GLY 398 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vjx s THR 399 N 3.72 1.63 -0.03 2.61 -4.23 -1.26 -4.19 115.64 113.88 2vjx s THR 399 Ca 0.00 -2.14 -0.30 0.00 -1.18 0.00 0.00 61.69 58.07 2vjx s THR 399 Cb 0.00 -2.33 -0.05 0.00 1.34 0.00 0.00 72.50 71.45 2vjx s THR 399 CO 0.00 -0.38 1.50 -0.31 -0.54 0.00 0.00 174.62 174.89 2vjx s TYR 400 N -3.03 2.50 1.01 3.99 2.02 -1.26 -4.95 117.35 117.62 2vjx s TYR 400 Ca 0.28 0.57 -0.15 0.00 -0.37 0.00 0.00 57.07 57.40 2vjx s TYR 400 Cb 0.03 -3.76 0.20 0.00 -0.40 0.00 0.00 41.96 38.02 2vjx s TYR 400 CO 0.10 -3.00 1.15 -1.21 -1.57 0.00 0.00 175.55 171.03 2vjx s GLU 401 N 3.14 0.32 0.78 -0.62 0.41 -1.26 -4.99 118.70 116.49 2vjx s GLU 401 Ca 0.67 0.11 -0.15 0.00 -0.41 0.00 0.00 54.97 55.19 2vjx s GLU 401 Cb -0.32 -1.76 0.02 0.00 -1.78 0.00 0.00 34.13 30.29 2vjx s GLU 401 CO 0.27 -2.72 0.82 -1.71 -0.49 0.00 0.00 175.26 171.43 2vjx n ASN 402 N -4.09 -0.26 -0.29 -0.19 2.85 -1.26 -4.91 115.26 107.11 2vjx n ASN 402 Ca 0.09 0.57 0.05 0.00 -0.11 0.00 0.00 54.58 55.18 2vjx n ASN 402 Cb 0.59 -1.35 0.26 0.00 1.24 0.00 0.00 39.78 40.52 2vjx n ASN 402 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 2vjx h ASN 403 N -0.69 0.86 -0.46 1.20 2.35 -1.98 -2.90 115.58 113.96 2vjx h ASN 403 Ca -0.46 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.37 2vjx h ASN 403 Cb 1.32 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 39.46 2vjx h ASN 403 CO 0.43 0.54 0.14 0.25 -1.65 0.00 0.00 177.43 177.14 2vjx h LEU 404 N 0.97 0.11 -0.46 1.61 5.85 -1.99 -0.42 115.31 120.98 2vjx h LEU 404 Ca 0.39 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.27 2vjx h LEU 404 Cb 0.27 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.27 2vjx h LEU 404 CO -0.15 0.10 -0.16 0.15 -0.34 0.00 0.00 178.44 178.03 2vjx h PHE 405 N 0.30 -0.38 -0.17 1.25 3.57 -1.86 -0.15 116.94 119.50 2vjx h PHE 405 Ca 0.22 0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.59 2vjx h PHE 405 Cb 0.25 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 2vjx h PHE 405 CO -0.18 -0.25 -0.64 1.88 -2.23 0.00 0.00 178.31 176.90 2vjx h TYR 406 N -0.06 0.78 -0.94 0.41 0.05 -1.48 -1.05 116.97 114.69 2vjx h TYR 406 Ca 0.22 -0.31 0.09 0.00 0.05 0.00 0.00 58.73 58.78 2vjx h TYR 406 Cb 0.40 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 37.93 2vjx h TYR 406 CO -0.44 1.08 0.59 -0.44 -1.05 0.00 0.00 178.16 177.90 2vjx h ASP 407 N 0.44 0.90 -0.35 3.88 3.32 -0.61 0.10 116.42 124.10 2vjx h ASP 407 Ca -0.01 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 2vjx h ASP 407 Cb 1.22 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2vjx h ASP 407 CO 0.12 0.54 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.70 2vjx h LEU 408 N 1.01 0.97 -0.61 1.55 3.38 -0.81 -1.84 115.31 118.96 2vjx h LEU 408 Ca 0.43 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2vjx h LEU 408 Cb 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2vjx h LEU 408 CO -0.21 1.25 0.40 0.00 0.09 0.00 0.00 178.44 179.97 2vjx h ALA 409 N 0.79 0.77 -0.19 1.53 0.00 -0.77 -0.84 119.26 120.56 2vjx h ALA 409 Ca 0.05 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2vjx h ALA 409 Cb 1.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2vjx h ALA 409 CO 0.10 0.20 -0.01 -0.44 0.00 0.00 0.00 179.25 179.10 2vjx h ASP 410 N 0.82 -0.09 0.89 0.00 3.32 -0.71 -1.43 116.42 119.21 2vjx h ASP 410 Ca 0.22 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2vjx h ASP 410 Cb -0.09 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2vjx h ASP 410 CO -0.05 -0.02 -0.15 -1.84 -1.72 0.00 0.00 179.24 175.46 2vjx n GLU 411 N -5.14 0.02 0.00 3.56 0.28 -0.72 -2.98 120.64 115.66 2vjx n GLU 411 Ca -0.03 0.01 0.10 0.00 -0.16 0.00 0.00 57.16 57.09 2vjx n GLU 411 Cb 0.11 -1.52 0.08 0.00 1.43 0.00 0.00 31.44 31.53 2vjx n GLU 411 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2vjx n ASN 412 N -1.55 2.62 -2.09 -1.84 3.02 -0.35 -4.80 115.26 110.28 2vjx n ASN 412 Ca 0.06 -1.81 -0.14 0.00 -0.03 0.00 0.00 54.58 52.66 2vjx n ASN 412 Cb 0.35 0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.56 2vjx n ASN 412 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vjx n GLY 413 N 1.12 -0.05 3.41 7.41 0.00 -0.62 -4.29 105.19 112.17 2vjx n GLY 413 Ca 0.11 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 2vjx n GLY 413 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vjx s ILE 414 N -3.00 4.25 0.43 -0.61 -1.09 -0.71 0.14 121.20 120.60 2vjx s ILE 414 Ca 0.24 -0.37 -0.25 0.00 -2.23 0.00 0.00 60.65 58.04 2vjx s ILE 414 Cb -0.10 -3.08 -0.08 0.00 -1.58 0.00 0.00 42.46 37.62 2vjx s ILE 414 CO 0.29 0.22 1.30 -0.76 -1.23 0.00 0.00 174.94 174.76 2vjx s LEU 415 N 1.58 4.15 -0.19 2.97 1.02 0.22 -4.63 118.68 123.80 2vjx s LEU 415 Ca 0.05 2.64 -0.01 0.00 0.02 0.00 0.00 54.13 56.83 2vjx s LEU 415 Cb -0.16 -3.98 0.00 0.00 0.02 0.00 0.00 46.19 42.07 2vjx s LEU 415 CO 0.04 -0.95 -0.12 -0.69 0.02 0.00 0.00 176.35 174.64 2vjx s VAL 416 N -1.30 2.74 -0.41 -1.59 1.01 0.13 -0.69 120.40 120.30 2vjx s VAL 416 Ca 0.59 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 2vjx s VAL 416 Cb -0.37 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 33.82 2vjx s VAL 416 CO 0.47 0.49 0.43 0.86 0.00 0.00 0.00 175.10 177.36 2vjx s TRP 417 N 1.25 3.17 -0.38 5.22 -0.11 -0.53 -0.41 118.94 127.15 2vjx s TRP 417 Ca 0.03 -0.33 -0.13 0.00 1.22 0.00 0.00 56.10 56.89 2vjx s TRP 417 Cb -0.14 -2.88 0.02 0.00 -1.50 0.00 0.00 33.47 28.97 2vjx s TRP 417 CO -0.06 -0.68 0.25 -1.14 -4.62 0.00 0.00 176.95 170.70 2vjx s GLN 418 N 2.14 2.95 0.50 5.86 2.00 -0.22 -0.69 119.66 132.20 2vjx s GLN 418 Ca 0.12 -1.01 -0.21 0.00 -2.00 0.00 0.00 55.36 52.26 2vjx s GLN 418 Cb -0.17 -3.83 -0.07 0.00 0.80 0.00 0.00 33.01 29.74 2vjx s GLN 418 CO 0.13 -0.69 1.14 -0.51 -0.50 0.00 0.00 175.29 174.86 2vjx s ASP 419 N 1.62 5.99 0.73 6.67 1.11 -0.80 -1.11 116.67 130.88 2vjx s ASP 419 Ca 0.04 2.22 -0.11 0.00 0.18 0.00 0.00 52.55 54.88 2vjx s ASP 419 Cb -0.19 -2.59 0.03 0.00 1.07 0.00 0.00 42.92 41.24 2vjx s ASP 419 CO 0.08 -1.04 1.07 -0.36 1.18 0.00 0.00 175.17 176.11 2vjx s PHE 420 N -1.67 2.91 -1.48 4.23 0.08 0.79 -4.76 117.98 118.09 2vjx s PHE 420 Ca 0.68 1.45 -0.10 0.00 0.12 0.00 0.00 56.93 59.08 2vjx s PHE 420 Cb -0.26 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.26 2vjx s PHE 420 CO 0.30 -1.46 2.53 -1.33 -0.10 0.00 0.00 175.22 175.15 2vjx n MET 421 N -3.29 3.70 -4.27 0.44 2.81 -1.26 -4.38 117.12 110.88 2vjx n MET 421 Ca 0.08 -2.75 -0.20 0.00 -1.81 0.00 0.00 57.70 53.02 2vjx n MET 421 Cb 0.54 -2.89 -0.16 0.00 -0.71 0.00 0.00 33.22 29.99 2vjx n MET 421 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2vjx s PHE 422 N 1.43 0.86 -0.15 2.03 0.08 -0.72 -4.86 117.98 116.65 2vjx s PHE 422 Ca 0.57 -0.25 -0.07 0.00 0.12 0.00 0.00 56.93 57.30 2vjx s PHE 422 Cb 0.16 -0.70 0.06 0.00 -0.57 0.00 0.00 43.02 41.97 2vjx s PHE 422 CO -0.07 -0.18 0.35 0.00 -0.10 0.00 0.00 175.22 175.23 2vjx s ALA 423 N 0.71 -0.88 0.00 5.36 0.00 -1.26 -1.52 121.76 124.18 2vjx s ALA 423 Ca -0.10 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2vjx s ALA 423 Cb -0.13 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2vjx s ALA 423 CO 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 175.76 175.36 2vjx s THR 425 N -1.47 0.06 0.79 0.00 -1.32 -1.26 -4.79 115.64 107.65 2vjx s THR 425 Ca 0.00 -0.51 -0.12 0.00 -1.21 0.00 0.00 61.69 59.85 2vjx s THR 425 Cb 0.00 -0.55 0.07 0.00 -1.51 0.00 0.00 72.50 70.51 2vjx s THR 425 CO 0.00 -0.28 1.13 -2.16 -2.21 0.00 0.00 174.62 171.10 2vjx s PRO 426 N -1.26 1.96 0.30 7.08 0.04 -1.26 -4.87 135.00 137.00 2vjx s PRO 426 Ca -0.13 1.44 0.10 0.00 0.04 0.00 0.00 61.00 62.44 2vjx s PRO 426 Cb -0.06 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 2vjx s PRO 426 CO 0.03 -1.90 -0.13 0.71 0.04 0.00 0.00 177.00 175.75 2vjx s TYR 427 N -2.55 2.24 1.09 0.56 2.02 -1.26 -4.83 117.35 114.62 2vjx s TYR 427 Ca 0.66 -0.48 -0.13 0.00 -0.37 0.00 0.00 57.07 56.75 2vjx s TYR 427 Cb -0.22 -1.16 0.20 0.00 -0.40 0.00 0.00 41.96 40.38 2vjx s TYR 427 CO 0.52 0.56 0.79 -2.30 -1.57 0.00 0.00 175.55 173.55 2vjx n PRO 428 N -0.67 -1.68 -0.85 -1.71 -0.02 -1.26 -4.82 135.00 123.99 2vjx n PRO 428 Ca -0.05 -0.45 0.01 0.00 -2.02 0.00 0.00 63.50 60.98 2vjx n PRO 428 Cb 0.62 -2.09 -0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2vjx n PRO 428 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2vjx n SER 429 N -3.84 0.20 -4.81 2.55 3.41 -1.26 -4.92 113.62 104.96 2vjx n SER 429 Ca 0.05 -1.85 -0.32 0.00 -0.26 0.00 0.00 58.87 56.49 2vjx n SER 429 Cb 0.55 -0.15 0.04 0.00 -0.26 0.00 0.00 64.21 64.39 2vjx n SER 429 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2vjx s ASP 430 N -1.15 5.42 0.26 4.04 -4.77 -1.26 -4.74 116.67 114.46 2vjx s ASP 430 Ca 0.10 1.73 -0.03 0.00 -3.30 0.00 0.00 52.55 51.05 2vjx s ASP 430 Cb 0.12 -2.51 0.53 0.00 -1.09 0.00 0.00 42.92 39.96 2vjx s ASP 430 CO -0.05 -1.42 1.68 -0.65 0.70 0.00 0.00 175.17 175.43 2vjx h PRO 431 N -0.32 0.27 -0.43 2.11 0.11 -1.99 -0.10 132.00 131.65 2vjx h PRO 431 Ca -0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 2vjx h PRO 431 Cb 1.22 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2vjx h PRO 431 CO 0.56 0.18 0.12 1.15 -0.21 0.00 0.00 178.00 179.80 2vjx h THR 432 N 0.28 1.23 -0.41 -1.15 2.02 -1.99 0.09 112.91 112.97 2vjx h THR 432 Ca 0.45 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 2vjx h THR 432 Cb 0.81 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 2vjx h THR 432 CO -0.54 0.27 0.25 0.15 0.37 0.00 0.00 175.52 176.02 2vjx h PHE 433 N 0.55 0.54 -0.03 3.16 3.57 -1.70 -1.97 116.94 121.06 2vjx h PHE 433 Ca 0.14 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 2vjx h PHE 433 Cb 0.29 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2vjx h PHE 433 CO 0.02 0.38 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.01 2vjx h LEU 434 N 0.54 0.06 -0.52 0.59 3.38 -0.76 -1.68 115.31 116.92 2vjx h LEU 434 Ca 0.15 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2vjx h LEU 434 Cb -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2vjx h LEU 434 CO -0.03 0.45 0.17 0.11 0.09 0.00 0.00 178.44 179.23 2vjx h LYS 435 N 0.05 0.81 -0.38 1.13 1.57 -0.59 0.16 116.57 119.32 2vjx h LYS 435 Ca 0.00 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.65 2vjx h LYS 435 Cb 0.71 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 2vjx h LYS 435 CO 0.05 0.75 0.14 0.00 -0.57 0.00 0.00 179.45 179.81 2vjx h ARG 436 N 0.72 0.29 -0.46 3.15 3.08 -0.94 -1.73 114.38 118.48 2vjx h ARG 436 Ca 0.17 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 2vjx h ARG 436 Cb 0.27 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2vjx h ARG 436 CO -0.01 0.19 0.14 0.28 -1.07 0.00 0.00 179.97 179.50 2vjx h VAL 437 N 0.29 1.23 -0.75 2.04 2.07 -1.10 -2.05 116.25 117.98 2vjx h VAL 437 Ca 0.17 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.98 2vjx h VAL 437 Cb 0.15 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2vjx h VAL 437 CO -0.17 0.27 0.46 -0.08 0.02 0.00 0.00 177.57 178.07 2vjx h GLU 438 N 0.61 0.85 -0.16 1.57 4.81 -0.52 0.20 114.58 121.93 2vjx h GLU 438 Ca 0.15 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2vjx h GLU 438 Cb 0.27 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2vjx h GLU 438 CO -0.00 0.56 -0.08 0.00 -0.73 0.00 0.00 179.01 178.76 2vjx h ALA 439 N 1.34 0.05 -0.41 2.92 0.00 -1.01 -0.32 119.26 121.83 2vjx h ALA 439 Ca 0.31 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 2vjx h ALA 439 Cb 0.08 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2vjx h ALA 439 CO -0.14 -0.52 -0.10 1.05 0.00 0.00 0.00 179.25 179.54 2vjx h GLU 440 N -0.07 0.72 0.13 0.00 4.11 -1.03 -1.43 114.58 117.00 2vjx h GLU 440 Ca 0.09 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 2vjx h GLU 440 Cb 0.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2vjx h GLU 440 CO -0.20 0.80 -0.06 0.00 0.07 0.00 0.00 179.01 179.62 2vjx h ALA 441 N 1.23 -0.17 -0.38 1.06 0.00 -0.54 -0.78 119.26 119.68 2vjx h ALA 441 Ca 0.12 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2vjx h ALA 441 Cb 0.56 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2vjx h ALA 441 CO 0.03 -0.48 0.17 0.28 0.00 0.00 0.00 179.25 179.25 2vjx h VAL 442 N -0.41 0.94 0.28 0.00 2.07 -1.06 0.29 116.25 118.36 2vjx h VAL 442 Ca -0.02 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2vjx h VAL 442 Cb 0.33 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2vjx h VAL 442 CO 0.03 0.06 -0.13 0.22 0.02 0.00 0.00 177.57 177.77 2vjx h TYR 443 N 0.35 -0.34 0.00 1.57 3.20 -1.17 -1.55 116.97 119.03 2vjx h TYR 443 Ca 0.17 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.85 2vjx h TYR 443 Cb 0.10 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 2vjx h TYR 443 CO -0.12 -0.21 -0.83 -0.91 -1.64 0.00 0.00 178.16 174.46 2vjx h ASN 444 N -0.37 0.08 -0.10 -2.11 2.35 -1.02 -0.31 115.58 114.10 2vjx h ASN 444 Ca -0.04 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2vjx h ASN 444 Cb 0.29 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 2vjx h ASN 444 CO 0.06 0.87 0.05 0.40 -1.65 0.00 0.00 177.43 177.16 2vjx h ILE 445 N 0.03 1.10 -0.64 2.81 2.04 -0.86 -0.93 117.51 121.06 2vjx h ILE 445 Ca -0.02 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 2vjx h ILE 445 Cb 1.45 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 2vjx h ILE 445 CO 0.11 0.09 0.17 0.03 0.00 0.00 0.00 178.15 178.56 2vjx h ARG 446 N 0.05 0.99 -0.99 2.37 3.08 -1.19 -0.45 114.38 118.24 2vjx h ARG 446 Ca 0.03 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 59.91 2vjx h ARG 446 Cb 0.10 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 2vjx h ARG 446 CO -0.00 0.87 0.65 -0.09 -1.07 0.00 0.00 179.97 180.33 2vjx h ARG 447 N 0.95 1.21 0.00 0.04 2.43 -0.83 -3.34 114.38 114.85 2vjx h ARG 447 Ca 0.21 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2vjx h ARG 447 Cb 0.31 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2vjx h ARG 447 CO -0.00 0.80 -1.32 1.28 -1.51 0.00 0.00 179.97 179.22 2vjx n LEU 448 N -4.44 0.32 0.02 3.80 4.77 -0.37 -4.63 117.00 116.46 2vjx n LEU 448 Ca 0.14 -0.21 0.07 0.00 -0.03 0.00 0.00 56.01 55.97 2vjx n LEU 448 Cb 0.10 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.49 2vjx n LEU 448 CO 0.34 0.08 0.72 -2.11 -1.33 0.00 0.00 177.39 175.09 2vjx n ARG 449 N -1.77 0.03 0.00 3.23 1.85 -0.22 -1.76 116.66 118.02 2vjx n ARG 449 Ca -0.00 0.31 0.14 0.00 -1.00 0.00 0.00 57.85 57.30 2vjx n ARG 449 Cb 0.35 -1.55 0.55 0.00 -1.05 0.00 0.00 32.46 30.76 2vjx n ARG 449 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2vjx n ASN 450 N -1.60 1.14 -4.70 2.89 3.02 -1.26 -4.92 115.26 109.83 2vjx n ASN 450 Ca 0.03 -1.24 -0.41 0.00 -0.03 0.00 0.00 54.58 52.92 2vjx n ASN 450 Cb 0.15 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 2vjx n ASN 450 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2vjx s HIS 451 N -2.14 3.56 0.33 3.10 3.76 -0.72 -4.70 115.29 118.49 2vjx s HIS 451 Ca 0.36 1.49 0.06 0.00 -0.15 0.00 0.00 55.06 56.82 2vjx s HIS 451 Cb 0.21 -3.05 0.73 0.00 1.11 0.00 0.00 32.58 31.58 2vjx s HIS 451 CO 0.39 -0.08 1.87 0.00 -0.85 0.00 0.00 174.74 176.07 2vjx h ALA 452 N 6.96 1.72 0.00 -1.40 0.00 -1.86 -2.11 119.26 122.57 2vjx h ALA 452 Ca -0.36 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2vjx h ALA 452 Cb 1.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2vjx h ALA 452 CO 0.79 0.05 -0.27 0.66 0.00 0.00 0.00 179.25 180.48 2vjx h SER 453 N 0.80 0.00 -2.61 0.00 4.64 -1.87 -3.44 113.55 111.07 2vjx h SER 453 Ca 0.44 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.21 2vjx h SER 453 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2vjx h SER 453 CO -0.21 0.27 1.10 -0.22 -0.87 0.00 0.00 176.83 176.91 2vjx s LEU 454 N -8.38 4.26 -0.11 5.97 2.96 -0.80 0.23 118.68 122.80 2vjx s LEU 454 Ca -0.03 2.17 0.09 0.00 -0.22 0.00 0.00 54.13 56.13 2vjx s LEU 454 Cb 0.15 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 43.18 2vjx s LEU 454 CO 0.71 -0.99 0.02 0.00 -1.32 0.00 0.00 176.35 174.77 2vjx n ALA 455 N 7.40 1.73 -3.59 5.97 0.00 0.45 -4.85 120.51 127.61 2vjx n ALA 455 Ca 0.18 -0.69 -0.05 0.00 0.00 0.00 0.00 53.44 52.87 2vjx n ALA 455 Cb 0.43 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 2vjx n ALA 455 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vjx s MET 456 N -2.26 0.72 0.06 0.00 0.00 -1.20 -4.37 119.30 112.26 2vjx s MET 456 Ca -0.07 -0.32 0.07 0.00 0.00 0.00 0.00 55.69 55.37 2vjx s MET 456 Cb 0.03 0.29 -0.04 0.00 0.00 0.00 0.00 34.83 35.12 2vjx s MET 456 CO 0.43 -0.32 -0.15 -1.58 0.00 0.00 0.00 175.02 173.39 2vjx s TRP 457 N -2.89 2.63 -0.05 3.16 0.52 0.25 -1.06 118.94 121.49 2vjx s TRP 457 Ca 0.09 -0.21 0.00 0.00 0.02 0.00 0.00 56.10 56.00 2vjx s TRP 457 Cb -0.00 -1.45 0.02 0.00 -1.15 0.00 0.00 33.47 30.89 2vjx s TRP 457 CO -0.05 0.32 -0.04 0.00 0.02 0.00 0.00 176.95 177.21 2vjx h GLY 459 N 7.49 1.15 -2.41 0.00 0.00 -0.88 0.23 103.07 108.64 2vjx h GLY 459 Ca -0.33 -0.37 0.20 0.00 0.00 0.00 0.00 47.33 46.83 2vjx h GLY 459 CO 0.42 0.28 0.53 0.54 0.00 0.00 0.00 176.54 178.31 2vjx s ASN 460 N -6.12 -0.16 -0.32 0.19 2.20 -1.17 -4.07 114.94 105.48 2vjx s ASN 460 Ca -0.11 -0.36 -0.15 0.00 -0.94 0.00 0.00 52.86 51.30 2vjx s ASN 460 Cb 0.19 0.44 -0.02 0.00 -2.00 0.00 0.00 41.25 39.87 2vjx s ASN 460 CO 0.79 -0.82 0.36 0.21 -2.94 0.00 0.00 177.10 174.70 2vjx s ASN 461 N -2.94 6.19 -0.09 3.54 2.47 -0.57 -1.89 114.94 121.64 2vjx s ASN 461 Ca 0.12 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.31 2vjx s ASN 461 Cb -0.01 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.60 2vjx s ASN 461 CO 0.01 -0.29 0.00 -0.62 -3.72 0.00 0.00 177.10 172.48 2vjx n GLU 462 N 5.36 -1.46 -0.10 0.43 1.02 0.18 -0.60 120.64 125.47 2vjx n GLU 462 Ca -0.09 0.41 -0.14 0.00 -0.02 0.00 0.00 57.16 57.32 2vjx n GLU 462 Cb 0.50 -4.52 -0.04 0.00 -0.02 0.00 0.00 31.44 27.36 2vjx n GLU 462 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2vjx h ILE 463 N 0.00 1.29 -0.37 -3.67 2.04 -1.85 0.43 117.51 115.39 2vjx h ILE 463 Ca -0.02 -1.55 -0.15 0.00 1.00 0.00 0.00 64.86 64.15 2vjx h ILE 463 Cb 0.75 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2vjx h ILE 463 CO 0.02 0.50 -0.34 0.25 0.00 0.00 0.00 178.15 178.59 2vjx h LEU 464 N 0.57 0.94 -0.56 1.44 5.85 -1.89 0.13 115.31 121.79 2vjx h LEU 464 Ca 0.04 -0.46 0.08 0.00 0.84 0.00 0.00 57.88 58.39 2vjx h LEU 464 Cb 0.96 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 2vjx h LEU 464 CO 0.09 1.20 0.20 -0.08 -0.34 0.00 0.00 178.44 179.51 2vjx h GLU 465 N 0.69 0.37 -0.11 1.25 4.81 -1.80 -0.46 114.58 119.34 2vjx h GLU 465 Ca 0.06 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2vjx h GLU 465 Cb 0.92 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 2vjx h GLU 465 CO 0.09 0.25 -0.03 0.00 -0.73 0.00 0.00 179.01 178.58 2vjx h ALA 466 N 1.38 0.07 -0.38 2.92 0.00 -0.62 0.60 119.26 123.24 2vjx h ALA 466 Ca 0.27 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2vjx h ALA 466 Cb 0.32 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2vjx h ALA 466 CO -0.28 -0.49 0.13 -0.07 0.00 0.00 0.00 179.25 178.55 2vjx h LEU 467 N -0.01 0.48 0.19 0.00 3.38 -0.42 -2.27 115.31 116.66 2vjx h LEU 467 Ca 0.06 -0.05 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2vjx h LEU 467 Cb 0.09 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.73 2vjx h LEU 467 CO -0.12 0.45 -1.65 0.11 0.09 0.00 0.00 178.44 177.32 2vjx h LYS 468 N 0.53 0.40 0.00 1.13 1.57 -0.86 -3.44 116.57 115.90 2vjx h LYS 468 Ca 0.13 -0.69 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2vjx h LYS 468 Cb 0.13 0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2vjx h LYS 468 CO -0.01 1.31 0.00 0.66 -0.57 0.00 0.00 179.45 180.84 2vjx n TYR 469 N -3.60 0.00 -0.47 -1.35 4.01 0.18 -4.73 117.16 111.21 2vjx n TYR 469 Ca -0.21 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.64 2vjx n TYR 469 Cb 1.08 0.00 0.34 0.00 -0.31 0.00 0.00 39.34 40.45 2vjx n TYR 469 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2vjx n TRP 470 N -0.43 1.21 -1.58 -0.72 8.01 -0.86 -4.95 117.44 118.11 2vjx n TRP 470 Ca 0.00 -0.54 -0.03 0.00 -1.31 0.00 0.00 57.50 55.62 2vjx n TRP 470 Cb 0.03 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.31 29.22 2vjx n TRP 470 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2vjx n GLY 471 N 1.49 0.43 0.23 6.99 0.00 -1.26 -4.95 105.19 108.12 2vjx n GLY 471 Ca 0.25 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.50 2vjx n GLY 471 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2vjx h PHE 472 N 0.00 0.00 0.00 1.61 0.04 -1.85 -2.93 116.94 113.81 2vjx h PHE 472 Ca -0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2vjx h PHE 472 Cb 0.64 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 2vjx h PHE 472 CO 0.09 0.15 -0.07 1.49 -0.60 0.00 0.00 178.31 179.37 2vjx h GLU 473 N 0.00 0.00 0.00 1.51 4.81 -1.89 0.21 114.58 119.22 2vjx h GLU 473 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2vjx h GLU 473 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2vjx h GLU 473 CO 0.02 0.07 0.00 1.63 -0.73 0.00 0.00 179.01 180.00 2vjx n LYS 474 N -3.89 0.22 -0.00 1.92 4.01 -1.11 -3.96 118.16 115.36 2vjx n LYS 474 Ca -0.02 0.28 0.10 0.00 -0.51 0.00 0.00 58.31 58.15 2vjx n LYS 474 Cb 0.16 -1.81 -0.13 0.00 -0.51 0.00 0.00 35.03 32.74 2vjx n LYS 474 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2vjx n LYS 475 N -2.20 0.43 -4.15 1.97 5.02 0.71 -4.98 118.16 114.96 2vjx n LYS 475 Ca 0.04 -0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.15 2vjx n LYS 475 Cb 0.35 -1.46 -0.11 0.00 -0.02 0.00 0.00 35.03 33.79 2vjx n LYS 475 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2vjx s PHE 476 N -3.06 0.92 0.83 2.13 0.08 -1.09 -5.06 117.98 112.73 2vjx s PHE 476 Ca 0.03 -0.68 -0.13 0.00 0.12 0.00 0.00 56.93 56.28 2vjx s PHE 476 Cb 0.15 -0.52 0.09 0.00 -0.57 0.00 0.00 43.02 42.17 2vjx s PHE 476 CO 0.84 -0.06 1.19 0.95 -0.10 0.00 0.00 175.22 178.04 2vjx s THR 477 N -2.45 2.09 0.39 0.64 -4.23 -1.26 -4.74 115.64 106.08 2vjx s THR 477 Ca 0.03 0.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.65 2vjx s THR 477 Cb -0.03 -2.36 0.29 0.00 1.34 0.00 0.00 72.50 71.74 2vjx s THR 477 CO -0.01 -0.03 1.99 -0.65 -0.54 0.00 0.00 174.62 175.39 2vjx h PRO 478 N -1.10 0.61 -0.23 3.99 0.11 -1.99 0.22 132.00 133.61 2vjx h PRO 478 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2vjx h PRO 478 Cb 1.29 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2vjx h PRO 478 CO 0.45 0.40 -0.01 0.93 -0.21 0.00 0.00 178.00 179.56 2vjx h GLU 479 N 0.63 0.42 -0.45 1.05 3.07 -1.99 0.23 114.58 117.54 2vjx h GLU 479 Ca 0.25 -0.14 -0.05 0.00 -0.50 0.00 0.00 59.36 58.93 2vjx h GLU 479 Cb 0.21 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 2vjx h GLU 479 CO -0.07 0.61 0.10 0.28 -1.40 0.00 0.00 179.01 178.53 2vjx h VAL 480 N 0.18 1.24 -0.69 3.13 2.07 -1.85 -1.76 116.25 118.58 2vjx h VAL 480 Ca 0.06 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.77 2vjx h VAL 480 Cb 0.43 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2vjx h VAL 480 CO 0.01 0.29 0.45 0.22 0.02 0.00 0.00 177.57 178.56 2vjx h TYR 481 N 0.60 0.84 -0.99 1.57 3.20 -0.84 -0.80 116.97 120.56 2vjx h TYR 481 Ca 0.14 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.06 2vjx h TYR 481 Cb 0.33 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 2vjx h TYR 481 CO 0.02 0.51 0.65 1.96 -1.64 0.00 0.00 178.16 179.66 2vjx h GLN 482 N 0.90 1.22 -0.87 1.82 1.08 -0.84 -1.18 115.11 117.25 2vjx h GLN 482 Ca 0.26 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2vjx h GLN 482 Cb -0.05 -0.28 -0.04 0.00 -0.05 0.00 0.00 27.48 27.06 2vjx h GLN 482 CO -0.08 0.81 0.54 0.78 -0.95 0.00 0.00 178.83 179.93 2vjx h GLY 483 N 1.26 1.25 0.97 3.46 0.00 -0.69 -0.66 103.07 108.66 2vjx h GLY 483 Ca 0.39 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 2vjx h GLY 483 CO -0.12 0.49 0.07 1.41 0.00 0.00 0.00 176.54 178.40 2vjx h LEU 484 N 1.19 0.73 -0.40 3.11 3.38 -0.52 -0.71 115.31 122.08 2vjx h LEU 484 Ca 0.31 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2vjx h LEU 484 Cb -0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2vjx h LEU 484 CO -0.06 0.80 0.17 0.24 0.09 0.00 0.00 178.44 179.68 2vjx h MET 485 N 0.62 0.60 -0.50 1.13 2.86 -0.96 -0.43 114.93 118.25 2vjx h MET 485 Ca 0.14 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2vjx h MET 485 Cb 0.38 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2vjx h MET 485 CO 0.01 0.55 -0.00 0.45 1.06 0.00 0.00 176.91 178.97 2vjx h HIS 486 N 0.51 0.89 -0.23 -0.22 3.86 -1.09 -2.85 115.15 116.02 2vjx h HIS 486 Ca 0.14 -0.13 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 2vjx h HIS 486 Cb 0.17 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2vjx h HIS 486 CO -0.00 0.82 -0.20 0.78 0.86 0.00 0.00 177.93 180.18 2vjx h GLY 487 N 0.98 0.45 0.90 2.45 0.00 -0.84 -2.28 103.07 104.73 2vjx h GLY 487 Ca 0.15 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.15 2vjx h GLY 487 CO 0.02 0.31 -0.02 -1.82 0.00 0.00 0.00 176.54 175.03 2vjx h TYR 488 N 0.38 -0.04 -0.52 5.60 3.20 -0.86 -2.66 116.97 122.07 2vjx h TYR 488 Ca 0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2vjx h TYR 488 Cb 0.57 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2vjx h TYR 488 CO 0.02 -0.03 0.30 -0.44 -1.64 0.00 0.00 178.16 176.36 2vjx h ASP 489 N -0.01 0.64 -0.95 -2.11 3.32 -1.25 1.00 116.42 117.06 2vjx h ASP 489 Ca 0.02 -0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.09 2vjx h ASP 489 Cb 0.05 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.36 2vjx h ASP 489 CO -0.05 0.53 0.61 0.11 -1.72 0.00 0.00 179.24 178.72 2vjx h LYS 490 N 0.69 0.95 0.00 3.56 1.57 -1.27 -0.41 116.57 121.67 2vjx h LYS 490 Ca 0.18 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.74 2vjx h LYS 490 Cb 0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2vjx h LYS 490 CO -0.03 0.63 -1.02 1.25 -0.57 0.00 0.00 179.45 179.71 2vjx h LEU 491 N 0.98 0.00 0.00 2.94 5.85 -1.19 -1.53 115.31 122.36 2vjx h LEU 491 Ca 0.44 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2vjx h LEU 491 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2vjx h LEU 491 CO -0.20 1.29 -1.34 0.49 -0.34 0.00 0.00 178.44 178.34 2vjx n PHE 492 N -4.49 0.40 0.37 1.25 3.72 0.32 -1.56 117.46 117.47 2vjx n PHE 492 Ca -0.25 0.12 0.04 0.00 -0.05 0.00 0.00 57.45 57.31 2vjx n PHE 492 Cb 0.57 -0.62 0.02 0.00 -0.94 0.00 0.00 39.48 38.51 2vjx n PHE 492 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2vjx n ARG 493 N -2.28 0.92 0.00 -1.08 1.74 -0.23 -4.45 116.66 111.28 2vjx n ARG 493 Ca -0.01 -0.85 0.00 0.00 -0.77 0.00 0.00 57.85 56.22 2vjx n ARG 493 Cb 0.51 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 2vjx n ARG 493 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2vjx n GLU 494 N 0.22 0.00 0.34 5.56 1.02 -0.78 -4.82 120.64 122.17 2vjx n GLU 494 Ca 0.05 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.00 2vjx n GLU 494 Cb 0.20 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.53 2vjx n GLU 494 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2vjx h LEU 495 N 0.00 -1.26 -0.05 -4.62 5.85 -1.30 -1.56 115.31 112.36 2vjx h LEU 495 Ca 0.00 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2vjx h LEU 495 Cb 0.00 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2vjx h LEU 495 CO 0.00 -0.67 0.02 -0.07 -0.34 0.00 0.00 178.44 177.38 2vjx h LEU 496 N -1.04 0.06 -1.22 2.25 3.38 -1.55 -1.73 115.31 115.47 2vjx h LEU 496 Ca -0.07 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.79 2vjx h LEU 496 Cb 0.87 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 2vjx h LEU 496 CO 0.00 0.19 0.54 1.55 0.09 0.00 0.00 178.44 180.81 2vjx h PRO 497 N -0.06 0.99 -0.47 1.13 0.13 -1.77 -1.58 132.00 130.37 2vjx h PRO 497 Ca 0.02 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 2vjx h PRO 497 Cb 0.14 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.03 2vjx h PRO 497 CO -0.00 0.66 -0.08 0.66 -0.23 0.00 0.00 178.00 179.01 2vjx h SER 498 N 1.02 0.82 -0.45 1.44 4.64 -1.04 -0.03 113.55 119.96 2vjx h SER 498 Ca 0.32 -0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 2vjx h SER 498 Cb 0.02 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 2vjx h SER 498 CO -0.09 0.93 0.15 0.74 -0.87 0.00 0.00 176.83 177.69 2vjx h THR 499 N 0.76 1.22 -0.85 2.95 2.02 -0.77 -1.22 112.91 117.01 2vjx h THR 499 Ca 0.13 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 2vjx h THR 499 Cb 0.57 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 2vjx h THR 499 CO 0.03 0.26 0.44 0.58 0.37 0.00 0.00 175.52 177.20 2vjx h VAL 500 N 0.58 1.26 -0.44 3.16 2.07 -1.14 -0.60 116.25 121.14 2vjx h VAL 500 Ca 0.15 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 2vjx h VAL 500 Cb 0.25 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2vjx h VAL 500 CO -0.01 0.29 0.02 0.50 0.02 0.00 0.00 177.57 178.40 2vjx h LYS 501 N 1.20 0.70 0.13 1.57 3.64 -0.65 0.79 116.57 123.95 2vjx h LYS 501 Ca 0.30 -0.17 -0.30 0.00 -1.27 0.00 0.00 60.65 59.21 2vjx h LYS 501 Cb 0.07 -0.09 0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2vjx h LYS 501 CO -0.04 0.70 -1.27 1.49 -2.27 0.00 0.00 179.45 178.06 2vjx h GLU 502 N 0.66 0.63 0.00 1.90 4.81 -0.90 -3.33 114.58 118.35 2vjx h GLU 502 Ca 0.14 -0.85 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 2vjx h GLU 502 Cb 0.38 0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2vjx h GLU 502 CO 0.01 1.39 -0.97 1.19 -0.73 0.00 0.00 179.01 179.90 2vjx n PHE 503 N -3.79 0.00 -2.99 0.92 3.72 -0.26 -4.70 117.46 110.37 2vjx n PHE 503 Ca -0.14 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.12 2vjx n PHE 503 Cb 1.00 -0.12 0.02 0.00 -0.94 0.00 0.00 39.48 39.44 2vjx n PHE 503 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2vjx n ASP 504 N -1.54 -0.29 0.17 4.37 -0.08 0.26 -4.86 116.55 114.57 2vjx n ASP 504 Ca 0.00 -3.20 0.13 0.00 -1.51 0.00 0.00 54.79 50.21 2vjx n ASP 504 Cb 0.22 0.30 0.57 0.00 2.34 0.00 0.00 41.12 44.55 2vjx n ASP 504 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2vjx h SER 505 N 2.96 0.00 -0.49 1.67 4.64 -1.65 -0.51 113.55 120.17 2vjx h SER 505 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2vjx h SER 505 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2vjx h SER 505 CO 0.36 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.79 2vjx n ASP 506 N -2.46 3.82 -4.71 4.97 8.00 -1.26 -4.93 116.55 119.98 2vjx n ASP 506 Ca 0.01 -2.31 -0.35 0.00 0.71 0.00 0.00 54.79 52.85 2vjx n ASP 506 Cb 0.22 -0.43 -0.09 0.00 -0.02 0.00 0.00 41.12 40.80 2vjx n ASP 506 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2vjx s ARG 507 N -1.56 3.06 0.36 -1.24 0.52 -0.20 -5.00 118.95 114.88 2vjx s ARG 507 Ca 0.39 -0.36 -0.28 0.00 -0.52 0.00 0.00 55.73 54.96 2vjx s ARG 507 Cb 0.24 -2.86 -0.11 0.00 0.52 0.00 0.00 34.95 32.75 2vjx s ARG 507 CO 0.20 0.71 1.44 0.12 0.02 0.00 0.00 175.30 177.79 2vjx s PHE 508 N -0.90 2.74 -0.00 -0.53 5.36 -1.26 -4.89 117.98 118.49 2vjx s PHE 508 Ca 0.14 1.22 0.05 0.00 -0.96 0.00 0.00 56.93 57.38 2vjx s PHE 508 Cb -0.11 -3.92 -0.01 0.00 -0.34 0.00 0.00 43.02 38.63 2vjx s PHE 508 CO 0.03 -2.68 -0.17 -0.47 -1.46 0.00 0.00 175.22 170.46 2vjx s TYR 509 N -1.04 1.52 0.03 10.12 5.04 -1.26 -0.58 117.35 131.18 2vjx s TYR 509 Ca 0.52 -0.30 0.04 0.00 -2.44 0.00 0.00 57.07 54.90 2vjx s TYR 509 Cb -0.44 -0.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.88 2vjx s TYR 509 CO 0.59 -0.01 -0.13 0.54 -1.34 0.00 0.00 175.55 175.20 2vjx s VAL 510 N -0.48 1.04 0.00 3.14 0.11 -0.92 -5.00 120.40 118.29 2vjx s VAL 510 Ca 0.06 -0.92 0.24 0.00 -2.93 0.00 0.00 61.98 58.43 2vjx s VAL 510 Cb -0.07 -0.94 0.25 0.00 -1.53 0.00 0.00 36.38 34.10 2vjx s VAL 510 CO -0.00 0.02 1.77 1.12 -3.33 0.00 0.00 175.10 174.67 2vjx h HIS 511 N 5.05 0.00 -2.58 1.54 2.07 -1.90 0.44 115.15 119.77 2vjx h HIS 511 Ca -0.37 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.20 2vjx h HIS 511 Cb 1.18 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 31.02 2vjx h HIS 511 CO 0.52 0.19 0.36 0.45 -3.07 0.00 0.00 177.93 176.39 2vjx s SER 512 N -6.14 -0.46 -0.11 3.10 0.15 -1.26 -3.06 113.70 105.91 2vjx s SER 512 Ca 0.02 0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.70 2vjx s SER 512 Cb 0.09 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.90 2vjx s SER 512 CO 0.64 -0.77 -0.12 -0.55 1.20 0.00 0.00 173.24 173.64 2vjx s SER 513 N -2.55 2.32 0.30 5.45 0.15 -0.79 -2.56 113.70 116.01 2vjx s SER 513 Ca 0.03 -0.38 -0.27 0.00 0.70 0.00 0.00 55.95 56.02 2vjx s SER 513 Cb -0.01 -0.99 -0.10 0.00 -1.71 0.00 0.00 66.02 63.21 2vjx s SER 513 CO -0.10 -0.05 0.95 -2.16 1.20 0.00 0.00 173.24 173.08 2vjx s PRO 514 N 1.31 4.67 0.34 5.44 0.04 -1.26 -0.65 135.00 144.89 2vjx s PRO 514 Ca -0.01 1.41 0.17 0.00 0.04 0.00 0.00 61.00 62.61 2vjx s PRO 514 Cb -0.14 -2.97 0.50 0.00 0.04 0.00 0.00 34.50 31.93 2vjx s PRO 514 CO -0.05 0.35 1.65 0.10 0.04 0.00 0.00 177.00 179.08 2vjx h TYR 515 N 3.51 0.00 0.00 0.56 -0.00 -1.69 -3.43 116.97 115.92 2vjx h TYR 515 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 2vjx h TYR 515 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.93 2vjx h TYR 515 CO 0.61 0.43 0.00 -0.11 -0.00 0.00 0.00 178.16 179.10 2vjx n LEU 516 N -3.46 0.00 -4.78 0.10 -0.00 -1.26 -4.94 117.00 102.66 2vjx n LEU 516 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 2vjx n LEU 516 Cb 0.58 0.03 -0.00 0.00 -0.00 0.00 0.00 43.42 44.02 2vjx n LEU 516 CO 0.38 -0.14 1.09 0.00 -0.00 0.00 0.00 177.39 178.73 2vjx s ALA 517 N -1.27 3.53 -0.02 1.96 0.00 -1.24 -5.01 121.76 119.71 2vjx s ALA 517 Ca 0.00 1.49 0.03 0.00 0.00 0.00 0.00 51.96 53.49 2vjx s ALA 517 Cb 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2vjx s ALA 517 CO 0.00 -0.97 -0.12 1.21 0.00 0.00 0.00 175.76 175.89 2vjx s ASN 518 N -0.26 1.40 0.50 0.00 3.84 -1.26 -4.74 114.94 114.42 2vjx s ASN 518 Ca 0.52 -0.22 0.25 0.00 0.21 0.00 0.00 52.86 53.63 2vjx s ASN 518 Cb -0.45 -0.22 1.34 0.00 -0.55 0.00 0.00 41.25 41.37 2vjx s ASN 518 CO 0.60 0.13 2.04 4.11 -2.79 0.00 0.00 177.10 181.19 2vjx h TRP 519 N 6.00 0.00 -0.10 0.43 5.08 -1.96 -1.89 115.95 123.51 2vjx h TRP 519 Ca -0.33 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.64 2vjx h TRP 519 Cb 1.17 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 2vjx h TRP 519 CO 0.41 0.14 0.00 0.41 -1.28 0.00 0.00 178.44 178.12 2vjx n GLY 520 N -0.69 0.15 2.75 11.11 0.00 -1.26 -4.66 105.19 112.59 2vjx n GLY 520 Ca -0.02 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 2vjx n GLY 520 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vjx s ARG 521 N -1.88 1.81 0.49 1.61 0.52 -0.71 -5.00 118.95 115.79 2vjx s ARG 521 Ca 0.35 -2.70 0.28 0.00 -0.52 0.00 0.00 55.73 53.14 2vjx s ARG 521 Cb 0.19 -2.73 1.36 0.00 0.52 0.00 0.00 34.95 34.29 2vjx s ARG 521 CO 0.29 -1.26 1.81 -1.35 0.02 0.00 0.00 175.30 174.81 2vjx h PRO 522 N 5.86 0.15 0.00 3.54 0.11 -1.83 -0.08 132.00 139.75 2vjx h PRO 522 Ca 0.11 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 2vjx h PRO 522 Cb 0.84 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 2vjx h PRO 522 CO 0.59 0.10 -0.05 1.05 -0.21 0.00 0.00 178.00 179.47 2vjx h GLU 523 N 0.16 0.00 0.00 1.05 9.09 -1.94 -2.73 114.58 120.21 2vjx h GLU 523 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.96 2vjx h GLU 523 Cb 1.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.95 2vjx h GLU 523 CO -0.12 0.05 -0.56 -1.13 0.05 0.00 0.00 179.01 177.30 2vjx n SER 524 N -3.44 0.55 0.22 3.06 3.41 -0.04 -4.53 113.62 112.85 2vjx n SER 524 Ca -0.02 -0.30 0.08 0.00 -0.26 0.00 0.00 58.87 58.37 2vjx n SER 524 Cb 0.18 0.33 0.51 0.00 -0.26 0.00 0.00 64.21 64.97 2vjx n SER 524 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2vjx h TRP 525 N 0.00 0.00 -0.01 7.33 6.55 -1.58 -1.82 115.95 126.42 2vjx h TRP 525 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2vjx h TRP 525 Cb 0.51 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.81 2vjx h TRP 525 CO 0.00 0.25 0.00 0.41 -1.05 0.00 0.00 178.44 178.05 2vjx n GLY 526 N -0.27 -0.94 3.12 1.49 0.00 -1.26 -3.50 105.19 103.83 2vjx n GLY 526 Ca -0.01 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 2vjx n GLY 526 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vjx s THR 527 N -1.99 3.45 0.00 2.61 2.01 -0.68 -1.03 115.64 120.00 2vjx s THR 527 Ca 0.25 -2.21 0.00 0.00 0.31 0.00 0.00 61.69 60.03 2vjx s THR 527 Cb 0.11 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.29 2vjx s THR 527 CO 0.19 -0.74 0.00 0.61 -0.69 0.00 0.00 174.62 174.00 2vjx n GLY 528 N 4.40 0.23 3.86 4.40 0.00 -0.17 -3.70 105.19 114.21 2vjx n GLY 528 Ca -0.01 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 2vjx n GLY 528 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2vjx s ASP 529 N -4.00 6.67 0.01 1.61 -4.77 -1.26 -3.68 116.67 111.25 2vjx s ASP 529 Ca 0.00 1.22 0.08 0.00 -3.30 0.00 0.00 52.55 50.55 2vjx s ASP 529 Cb 0.00 -2.35 -0.03 0.00 -1.09 0.00 0.00 42.92 39.45 2vjx s ASP 529 CO 0.00 -0.28 -0.23 -0.44 0.70 0.00 0.00 175.17 174.92 2vjx s SER 530 N -2.62 3.35 -0.75 2.11 0.01 -0.14 -4.22 113.70 111.43 2vjx s SER 530 Ca 0.53 -0.48 -0.11 0.00 1.31 0.00 0.00 55.95 57.20 2vjx s SER 530 Cb -0.10 -0.43 0.20 0.00 0.21 0.00 0.00 66.02 65.90 2vjx s SER 530 CO 0.23 0.29 0.66 -1.00 0.41 0.00 0.00 173.24 173.83 2vjx s HIS 531 N -0.76 3.64 -0.99 2.43 3.76 -1.26 -0.87 115.29 121.25 2vjx s HIS 531 Ca 0.12 -2.14 -0.23 0.00 -0.15 0.00 0.00 55.06 52.66 2vjx s HIS 531 Cb -0.10 -3.66 0.06 0.00 1.11 0.00 0.00 32.58 29.99 2vjx s HIS 531 CO 0.01 -0.95 1.40 1.21 -0.85 0.00 0.00 174.74 175.56 2vjx s ASN 532 N 1.88 6.49 -0.19 1.40 2.47 -0.41 -4.45 114.94 122.12 2vjx s ASN 532 Ca 0.17 -1.44 0.10 0.00 0.42 0.00 0.00 52.86 52.10 2vjx s ASN 532 Cb -0.14 -2.55 0.62 0.00 -1.45 0.00 0.00 41.25 37.72 2vjx s ASN 532 CO -0.07 -1.49 1.45 0.79 -3.72 0.00 0.00 177.10 174.07 2vjx n TRP 533 N 8.68 1.61 -0.22 0.43 7.02 -1.26 -4.13 117.44 129.57 2vjx n TRP 533 Ca 0.30 -0.59 -0.08 0.00 -1.02 0.00 0.00 57.50 56.12 2vjx n TRP 533 Cb 0.51 -0.43 0.03 0.00 -2.42 0.00 0.00 31.31 29.00 2vjx n TRP 533 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 2vjx h GLY 534 N 4.17 1.02 -3.48 6.99 0.00 -1.87 -0.44 103.07 109.46 2vjx h GLY 534 Ca 0.02 -0.60 -0.49 0.00 0.00 0.00 0.00 47.33 46.26 2vjx h GLY 534 CO 0.39 0.56 0.37 0.14 0.00 0.00 0.00 176.54 178.01 2vjx s VAL 535 N -5.41 3.99 0.00 4.60 1.01 -1.26 -1.02 120.40 122.31 2vjx s VAL 535 Ca -0.13 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.72 2vjx s VAL 535 Cb 0.13 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2vjx s VAL 535 CO 0.81 0.34 0.00 1.87 0.00 0.00 0.00 175.10 178.12 2vjx n TRP 536 N 1.07 0.00 -0.32 5.22 -0.00 -1.26 -4.41 117.44 117.73 2vjx n TRP 536 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.46 2vjx n TRP 536 Cb 0.48 0.00 0.08 0.00 -0.00 0.00 0.00 31.31 31.87 2vjx n TRP 536 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 177.69 179.57 2vjx h TYR 537 N 0.00 1.19 -0.01 5.87 0.05 -1.67 -1.95 116.97 120.45 2vjx h TYR 537 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2vjx h TYR 537 Cb 0.00 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 37.36 2vjx h TYR 537 CO 0.00 0.82 0.00 0.41 -1.05 0.00 0.00 178.16 178.34 2vjx n GLY 538 N -1.14 -0.78 2.68 3.88 0.00 -0.21 -4.93 105.19 104.70 2vjx n GLY 538 Ca 0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 2vjx n GLY 538 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vjx n LYS 539 N -0.72 -1.77 -2.10 1.61 5.02 -0.73 -4.89 118.16 114.58 2vjx n LYS 539 Ca 0.22 0.68 -0.40 0.00 -2.02 0.00 0.00 58.31 56.78 2vjx n LYS 539 Cb 0.16 -4.94 -0.02 0.00 -0.02 0.00 0.00 35.03 30.20 2vjx n LYS 539 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2vjx s LYS 540 N -2.42 4.28 0.83 1.97 1.02 -0.19 -4.90 119.74 120.34 2vjx s LYS 540 Ca 0.00 2.21 -0.13 0.00 0.02 0.00 0.00 55.97 58.06 2vjx s LYS 540 Cb 0.00 -3.01 0.06 0.00 -0.52 0.00 0.00 37.83 34.36 2vjx s LYS 540 CO 0.00 -0.25 0.91 -2.30 -0.92 0.00 0.00 175.35 172.79 2vjx n PRO 541 N 0.66 0.04 0.27 -1.68 -0.02 -1.26 -4.49 135.00 128.53 2vjx n PRO 541 Ca 0.01 0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.68 2vjx n PRO 541 Cb 0.42 -2.20 0.73 0.00 -0.02 0.00 0.00 33.50 32.43 2vjx n PRO 541 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2vjx h PHE 542 N -1.04 0.00 0.00 6.00 0.04 -1.93 -1.07 116.94 118.94 2vjx h PHE 542 Ca -0.45 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.31 2vjx h PHE 542 Cb 1.30 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.45 2vjx h PHE 542 CO 0.43 0.06 -0.02 0.93 -0.60 0.00 0.00 178.31 179.11 2vjx h GLU 543 N 0.00 0.00 0.00 1.51 3.07 -1.94 -1.62 114.58 115.60 2vjx h GLU 543 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2vjx h GLU 543 Cb 0.12 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2vjx h GLU 543 CO 0.01 0.02 -0.01 0.66 -1.40 0.00 0.00 179.01 178.29 2vjx h SER 544 N 0.00 0.00 0.91 1.42 4.64 -1.53 -1.50 113.55 117.49 2vjx h SER 544 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vjx h SER 544 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2vjx h SER 544 CO 0.00 0.01 0.00 -0.07 -0.87 0.00 0.00 176.83 175.90 2vjx h LEU 545 N 0.00 0.00 -0.26 5.97 3.38 -1.47 0.11 115.31 123.04 2vjx h LEU 545 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2vjx h LEU 545 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2vjx h LEU 545 CO 0.00 0.00 -0.61 0.44 0.09 0.00 0.00 178.44 178.36 2vjx h ASP 546 N 0.00 0.00 0.00 -0.43 3.32 -1.46 -3.37 116.42 114.48 2vjx h ASP 546 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 2vjx h ASP 546 Cb 0.46 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 2vjx h ASP 546 CO 0.00 0.61 -2.08 0.35 -1.72 0.00 0.00 179.24 176.40 2vjx n THR 547 N -3.37 0.93 -3.46 0.35 -2.24 -0.82 -4.82 114.28 100.84 2vjx n THR 547 Ca 0.01 -0.65 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 2vjx n THR 547 Cb 0.73 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 2vjx n THR 547 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2vjx s ASP 548 N -4.87 6.65 -0.04 3.42 1.01 0.34 -5.04 116.67 118.14 2vjx s ASP 548 Ca -0.08 -3.45 -0.09 0.00 0.71 0.00 0.00 52.55 49.64 2vjx s ASP 548 Cb 0.06 -2.08 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 2vjx s ASP 548 CO 0.70 -0.30 0.26 -0.76 0.21 0.00 0.00 175.17 175.28 2vjx s LEU 549 N -0.99 4.41 0.49 1.23 1.43 -1.26 -4.80 118.68 119.19 2vjx s LEU 549 Ca 0.27 0.65 0.09 0.00 -1.03 0.00 0.00 54.13 54.11 2vjx s LEU 549 Cb -0.10 -2.41 0.04 0.00 0.03 0.00 0.00 46.19 43.75 2vjx s LEU 549 CO -0.09 0.34 0.65 -2.16 0.23 0.00 0.00 176.35 175.31 2vjx s PRO 550 N -1.26 2.55 0.35 1.29 0.04 -1.26 -4.69 135.00 132.02 2vjx s PRO 550 Ca 0.21 -1.47 0.19 0.00 0.04 0.00 0.00 61.00 59.97 2vjx s PRO 550 Cb -0.14 -2.65 0.26 0.00 0.04 0.00 0.00 34.50 32.01 2vjx s PRO 550 CO 0.10 -0.54 1.54 0.00 0.04 0.00 0.00 177.00 178.15 2vjx h ARG 551 N 0.47 0.00 -1.36 4.56 2.47 -1.63 -3.33 114.38 115.55 2vjx h ARG 551 Ca -0.35 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 58.50 2vjx h ARG 551 Cb 1.28 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.36 2vjx h ARG 551 CO 0.45 0.31 0.21 0.12 0.56 0.00 0.00 179.97 181.61 2vjx s PHE 552 N -3.12 -0.77 -0.60 3.04 5.36 -1.25 -1.21 117.98 119.43 2vjx s PHE 552 Ca 0.04 1.40 -0.22 0.00 -0.96 0.00 0.00 56.93 57.19 2vjx s PHE 552 Cb 0.07 0.46 0.06 0.00 -0.34 0.00 0.00 43.02 43.28 2vjx s PHE 552 CO 0.71 -0.38 0.88 1.41 -1.46 0.00 0.00 175.22 176.37 2vjx s MET 553 N 2.15 3.17 0.11 10.12 -2.45 -0.08 -0.97 119.30 131.36 2vjx s MET 553 Ca -0.05 -0.72 0.24 0.00 -1.25 0.00 0.00 55.69 53.91 2vjx s MET 553 Cb -0.06 -4.16 0.33 0.00 1.25 0.00 0.00 34.83 32.19 2vjx s MET 553 CO -0.17 -1.60 1.30 -1.13 1.05 0.00 0.00 175.02 174.47 2vjx n SER 554 N 7.26 0.69 -3.67 1.11 3.41 -0.05 -0.34 113.62 122.04 2vjx n SER 554 Ca -0.03 0.10 -0.14 0.00 -0.26 0.00 0.00 58.87 58.54 2vjx n SER 554 Cb 0.46 0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.52 2vjx n SER 554 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2vjx s GLU 555 N -3.17 0.68 0.04 4.33 2.02 -1.07 -4.64 118.70 116.90 2vjx s GLU 555 Ca 0.06 0.75 -0.27 0.00 0.02 0.00 0.00 54.97 55.53 2vjx s GLU 555 Cb 0.13 0.33 0.08 0.00 0.10 0.00 0.00 34.13 34.78 2vjx s GLU 555 CO 0.73 -0.09 0.72 -0.59 0.02 0.00 0.00 175.26 176.05 2vjx s PHE 556 N 0.20 -0.51 0.08 1.61 -0.12 -1.25 -1.29 117.98 116.70 2vjx s PHE 556 Ca -0.01 0.51 -0.26 0.00 -0.05 0.00 0.00 56.93 57.12 2vjx s PHE 556 Cb -0.04 0.51 0.09 0.00 -0.63 0.00 0.00 43.02 42.95 2vjx s PHE 556 CO 0.01 -0.68 1.15 0.20 -0.05 0.00 0.00 175.22 175.86 2vjx s GLY 557 N -2.18 -0.15 -0.26 1.99 0.00 -1.26 -0.25 107.32 105.21 2vjx s GLY 557 Ca -0.01 0.12 -0.21 0.00 0.00 0.00 0.00 44.72 44.62 2vjx s GLY 557 CO -0.06 2.12 0.68 -0.12 0.00 0.00 0.00 173.10 175.73 2vjx s PHE 558 N -2.40 -0.84 0.53 1.90 5.36 -1.26 -4.47 117.98 116.80 2vjx s PHE 558 Ca 0.20 1.92 -0.16 0.00 -0.96 0.00 0.00 56.93 57.93 2vjx s PHE 558 Cb 0.00 0.37 -0.07 0.00 -0.34 0.00 0.00 43.02 42.98 2vjx s PHE 558 CO 0.01 -0.41 0.99 -0.65 -1.46 0.00 0.00 175.22 173.70 2vjx s GLN 559 N 0.77 3.91 -0.01 10.12 -0.21 -1.26 -4.35 119.66 128.62 2vjx s GLN 559 Ca -0.03 0.93 -0.08 0.00 0.02 0.00 0.00 55.36 56.20 2vjx s GLN 559 Cb -0.05 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.84 2vjx s GLN 559 CO -0.06 -0.31 0.15 -1.54 -2.12 0.00 0.00 175.29 171.42 2vjx s SER 560 N -3.20 -0.01 0.33 5.90 1.04 0.20 -4.76 113.70 113.20 2vjx s SER 560 Ca 0.58 -0.12 -0.29 0.00 0.48 0.00 0.00 55.95 56.61 2vjx s SER 560 Cb -0.10 0.23 -0.11 0.00 0.10 0.00 0.00 66.02 66.15 2vjx s SER 560 CO 0.34 -0.34 1.42 -0.36 0.98 0.00 0.00 173.24 175.28 2vjx s PHE 561 N -1.20 2.85 0.85 5.02 0.08 -1.26 -2.76 117.98 121.57 2vjx s PHE 561 Ca -0.13 1.22 -0.12 0.00 0.12 0.00 0.00 56.93 58.02 2vjx s PHE 561 Cb -0.07 -3.86 0.10 0.00 -0.57 0.00 0.00 43.02 38.63 2vjx s PHE 561 CO 0.02 -2.53 1.10 -1.25 -0.10 0.00 0.00 175.22 172.45 2vjx s PRO 562 N -1.59 1.61 0.94 0.24 0.04 -1.26 -4.66 135.00 130.32 2vjx s PRO 562 Ca 0.53 0.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 2vjx s PRO 562 Cb -0.43 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.40 2vjx s PRO 562 CO 0.55 -1.95 1.09 -1.83 0.04 0.00 0.00 177.00 174.89 2vjx s GLU 563 N -5.09 0.86 0.34 4.56 -1.05 -1.26 -4.61 118.70 112.44 2vjx s GLU 563 Ca 0.62 0.79 0.05 0.00 -0.15 0.00 0.00 54.97 56.28 2vjx s GLU 563 Cb -0.16 -1.77 0.70 0.00 -0.44 0.00 0.00 34.13 32.46 2vjx s GLU 563 CO 0.55 -2.51 1.91 0.52 0.95 0.00 0.00 175.26 176.68 2vjx h MET 564 N -1.74 0.80 0.00 -4.83 2.86 -1.95 -1.30 114.93 108.76 2vjx h MET 564 Ca -0.51 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.05 2vjx h MET 564 Cb 1.30 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 2vjx h MET 564 CO 0.54 0.53 -0.14 1.57 1.06 0.00 0.00 176.91 180.47 2vjx h LYS 565 N 0.82 0.00 -0.02 1.72 2.10 -1.91 0.16 116.57 119.45 2vjx h LYS 565 Ca 0.39 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.92 2vjx h LYS 565 Cb 0.41 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.75 2vjx h LYS 565 CO -0.16 0.14 -0.44 1.15 -2.00 0.00 0.00 179.45 178.14 2vjx h THR 566 N 0.00 1.46 -0.87 0.07 2.02 -1.59 -2.86 112.91 111.14 2vjx h THR 566 Ca -0.00 -1.96 0.11 0.00 0.77 0.00 0.00 66.41 65.32 2vjx h THR 566 Cb 0.26 2.58 -0.08 0.00 -1.74 0.00 0.00 68.15 69.17 2vjx h THR 566 CO 0.02 0.56 0.51 0.40 0.37 0.00 0.00 175.52 177.38 2vjx h ILE 567 N -0.22 0.89 0.00 3.11 2.04 -0.98 -1.47 117.51 120.87 2vjx h ILE 567 Ca -0.05 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2vjx h ILE 567 Cb 1.15 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2vjx h ILE 567 CO 0.09 0.15 -0.11 0.00 0.00 0.00 0.00 178.15 178.28 2vjx h ALA 568 N 1.49 1.32 0.00 1.87 0.00 -0.71 -0.15 119.26 123.09 2vjx h ALA 568 Ca 0.43 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 2vjx h ALA 568 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2vjx h ALA 568 CO -0.27 0.13 -0.28 0.00 0.00 0.00 0.00 179.25 178.83 2vjx h ALA 569 N 1.89 1.28 -0.00 0.00 0.00 -1.02 -3.30 119.26 118.12 2vjx h ALA 569 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2vjx h ALA 569 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2vjx h ALA 569 CO 0.01 0.35 -0.08 1.97 0.00 0.00 0.00 179.25 181.50 2vjx n PHE 570 N -3.83 0.00 -4.11 0.00 1.16 -0.63 -4.83 117.46 105.22 2vjx n PHE 570 Ca -0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.41 2vjx n PHE 570 Cb 0.37 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.09 2vjx n PHE 570 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2vjx s ALA 571 N -0.86 0.36 0.63 1.98 0.00 -0.16 -0.48 121.76 123.22 2vjx s ALA 571 Ca 0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 2vjx s ALA 571 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2vjx s ALA 571 CO 0.09 0.09 1.02 0.00 0.00 0.00 0.00 175.76 176.96 2vjx s ALA 572 N -0.10 3.09 0.54 0.00 0.00 -1.26 -4.41 121.76 119.61 2vjx s ALA 572 Ca 0.02 -0.18 0.21 0.00 0.00 0.00 0.00 51.96 52.01 2vjx s ALA 572 Cb -0.02 -3.03 1.40 0.00 0.00 0.00 0.00 23.12 21.47 2vjx s ALA 572 CO -0.00 -0.75 2.12 -1.35 0.00 0.00 0.00 175.76 175.78 2vjx h PRO 573 N -0.34 0.00 0.00 0.00 0.11 -1.98 0.20 132.00 129.99 2vjx h PRO 573 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2vjx h PRO 573 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2vjx h PRO 573 CO 0.62 0.00 -0.04 0.93 -0.21 0.00 0.00 178.00 179.30 2vjx h GLU 574 N 0.00 0.00 -0.11 1.05 3.07 -2.05 -2.32 114.58 114.21 2vjx h GLU 574 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2vjx h GLU 574 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2vjx h GLU 574 CO -0.00 0.04 0.00 -0.25 -1.40 0.00 0.00 179.01 177.40 2vjx n ASP 575 N -3.70 1.87 -3.64 1.42 8.00 0.71 -4.73 116.55 116.48 2vjx n ASP 575 Ca -0.03 -1.68 -0.41 0.00 0.71 0.00 0.00 54.79 53.39 2vjx n ASP 575 Cb 0.14 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 2vjx n ASP 575 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2vjx n TYR 576 N 0.46 3.10 -3.96 1.24 4.01 -0.87 -4.50 117.16 116.64 2vjx n TYR 576 Ca 0.17 -2.82 -0.10 0.00 -0.16 0.00 0.00 57.90 54.99 2vjx n TYR 576 Cb 0.39 -2.41 -0.12 0.00 -0.31 0.00 0.00 39.34 36.88 2vjx n TYR 576 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2vjx s GLN 577 N 3.29 0.23 0.28 -0.72 -1.52 -1.26 -4.79 119.66 115.17 2vjx s GLN 577 Ca 0.51 -0.42 0.02 0.00 -1.95 0.00 0.00 55.36 53.52 2vjx s GLN 577 Cb 0.15 0.04 0.63 0.00 -0.22 0.00 0.00 33.01 33.61 2vjx s GLN 577 CO -0.06 -0.03 1.76 0.82 -0.25 0.00 0.00 175.29 177.54 2vjx h ILE 578 N 4.80 0.69 -0.26 1.08 2.04 -1.97 -3.06 117.51 120.83 2vjx h ILE 578 Ca -0.30 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 2vjx h ILE 578 Cb 1.21 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2vjx h ILE 578 CO 0.44 0.12 -0.00 -0.62 0.00 0.00 0.00 178.15 178.09 2vjx n GLU 579 N -4.85 2.68 -1.30 2.37 -0.58 -1.26 -4.44 120.64 113.26 2vjx n GLU 579 Ca 0.20 -2.88 -0.33 0.00 -0.42 0.00 0.00 57.16 53.73 2vjx n GLU 579 Cb 0.51 -1.83 0.10 0.00 -0.57 0.00 0.00 31.44 29.66 2vjx n GLU 579 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2vjx s SER 580 N -2.06 4.11 0.26 1.62 1.04 -1.16 -4.81 113.70 112.70 2vjx s SER 580 Ca 0.42 2.19 -0.05 0.00 0.48 0.00 0.00 55.95 58.99 2vjx s SER 580 Cb 0.35 -2.57 0.31 0.00 0.10 0.00 0.00 66.02 64.21 2vjx s SER 580 CO 0.07 -2.31 1.94 -0.08 0.98 0.00 0.00 173.24 173.84 2vjx h GLU 581 N -0.70 1.27 -0.31 4.02 4.81 -1.93 0.33 114.58 122.09 2vjx h GLU 581 Ca -0.46 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 58.64 2vjx h GLU 581 Cb 1.27 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2vjx h GLU 581 CO 0.49 0.84 -0.03 0.28 -0.73 0.00 0.00 179.01 179.86 2vjx h VAL 582 N 1.31 1.27 -0.70 0.32 2.07 -1.90 -1.84 116.25 116.78 2vjx h VAL 582 Ca 0.36 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 2vjx h VAL 582 Cb -0.13 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2vjx h VAL 582 CO -0.08 0.33 0.36 -0.03 0.02 0.00 0.00 177.57 178.16 2vjx h MET 583 N 0.34 0.99 -0.23 1.57 1.85 -1.66 -2.91 114.93 114.89 2vjx h MET 583 Ca 0.08 -0.12 -0.16 0.00 -0.61 0.00 0.00 59.70 58.89 2vjx h MET 583 Cb 0.49 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.32 2vjx h MET 583 CO 0.02 0.74 -0.52 -0.91 -0.40 0.00 0.00 176.91 175.84 2vjx h ASN 584 N 0.99 0.71 -0.41 1.39 2.35 -0.70 -0.94 115.58 118.97 2vjx h ASN 584 Ca 0.25 -0.37 0.16 0.00 -0.55 0.00 0.00 56.30 55.79 2vjx h ASN 584 Cb 0.06 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.17 2vjx h ASN 584 CO -0.04 1.10 0.24 0.00 -1.65 0.00 0.00 177.43 177.09 2vjx n ALA 585 N -2.53 0.42 -1.22 -0.83 0.00 -0.71 -2.35 120.51 113.28 2vjx n ALA 585 Ca -0.03 0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.81 2vjx n ALA 585 Cb 0.60 -0.38 0.21 0.00 0.00 0.00 0.00 19.45 19.88 2vjx n ALA 585 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2vjx n HIS 586 N -3.67 0.64 -3.71 0.00 8.25 -0.39 -4.82 115.22 111.51 2vjx n HIS 586 Ca 0.14 -1.20 -0.29 0.00 -0.26 0.00 0.00 57.72 56.11 2vjx n HIS 586 Cb 0.50 -0.32 -0.16 0.00 1.12 0.00 0.00 29.99 31.14 2vjx n HIS 586 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2vjx s GLN 587 N -3.02 0.62 0.00 -0.41 2.00 -0.99 -0.61 119.66 117.26 2vjx s GLN 587 Ca 0.40 -0.72 0.24 0.00 -2.00 0.00 0.00 55.36 53.28 2vjx s GLN 587 Cb 0.35 -1.92 0.33 0.00 0.80 0.00 0.00 33.01 32.56 2vjx s GLN 587 CO 0.03 -0.84 1.34 1.63 -0.50 0.00 0.00 175.29 176.95 2vjx n LYS 588 N 4.99 2.42 -3.51 1.67 4.76 -1.26 -4.72 118.16 122.51 2vjx n LYS 588 Ca -0.06 -2.10 -0.41 0.00 -2.87 0.00 0.00 58.31 52.87 2vjx n LYS 588 Cb 0.44 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 32.04 2vjx n LYS 588 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2vjx s SER 589 N -1.74 6.05 0.43 4.39 0.15 -1.22 -4.63 113.70 117.13 2vjx s SER 589 Ca 0.34 -0.64 0.29 0.00 0.70 0.00 0.00 55.95 56.64 2vjx s SER 589 Cb 0.22 -2.14 1.19 0.00 -1.71 0.00 0.00 66.02 63.57 2vjx s SER 589 CO 0.31 -0.33 1.87 0.77 1.20 0.00 0.00 173.24 177.06 2vjx h SER 590 N 8.54 0.00 -0.02 5.45 4.64 -1.94 -2.26 113.55 127.97 2vjx h SER 590 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2vjx h SER 590 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2vjx h SER 590 CO 0.67 0.00 -0.20 2.30 -0.87 0.00 0.00 176.83 178.73 2vjx n ILE 591 N -2.75 0.00 -0.09 0.95 -5.35 -1.26 -4.74 119.36 106.12 2vjx n ILE 591 Ca 0.01 -0.40 -0.08 0.00 -0.27 0.00 0.00 62.75 62.01 2vjx n ILE 591 Cb 0.28 1.30 -0.00 0.00 -1.74 0.00 0.00 39.64 39.48 2vjx n ILE 591 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2vjx h GLY 592 N 3.80 0.43 1.05 3.28 0.00 -1.82 -1.66 103.07 108.14 2vjx h GLY 592 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 2vjx h GLY 592 CO 0.00 0.10 0.04 3.43 0.00 0.00 0.00 176.54 180.11 2vjx h ASN 593 N 0.34 0.97 -0.35 0.19 2.35 -1.85 -0.37 115.58 116.86 2vjx h ASN 593 Ca 0.13 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 2vjx h ASN 593 Cb 0.03 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2vjx h ASN 593 CO -0.08 1.02 0.11 -1.28 -1.65 0.00 0.00 177.43 175.55 2vjx h SER 594 N 0.89 0.51 -0.63 5.81 0.87 -1.87 -2.38 113.55 116.75 2vjx h SER 594 Ca 0.17 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2vjx h SER 594 Cb 0.49 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 2vjx h SER 594 CO 0.02 0.58 0.39 -0.07 -0.53 0.00 0.00 176.83 177.23 2vjx h LEU 595 N 0.41 0.75 0.21 2.23 3.38 -0.93 -1.12 115.31 120.25 2vjx h LEU 595 Ca 0.11 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2vjx h LEU 595 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2vjx h LEU 595 CO -0.00 0.57 -0.14 0.40 0.09 0.00 0.00 178.44 179.36 2vjx h ILE 596 N 0.86 0.70 -0.63 1.22 2.04 -0.87 -0.85 117.51 119.97 2vjx h ILE 596 Ca 0.23 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.14 2vjx h ILE 596 Cb -0.05 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 2vjx h ILE 596 CO -0.05 0.00 0.35 0.03 0.00 0.00 0.00 178.15 178.48 2vjx h ARG 597 N -0.35 0.64 -0.19 2.37 3.08 -1.37 0.17 114.38 118.73 2vjx h ARG 597 Ca -0.02 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.02 2vjx h ARG 597 Cb 0.30 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2vjx h ARG 597 CO 0.01 0.42 0.01 1.15 -1.07 0.00 0.00 179.97 180.49 2vjx h THR 598 N 0.66 0.88 -0.46 2.04 2.02 -0.85 -1.23 112.91 115.97 2vjx h THR 598 Ca 0.28 -0.03 -0.13 0.00 0.77 0.00 0.00 66.41 67.30 2vjx h THR 598 Cb 0.15 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2vjx h THR 598 CO -0.16 0.01 -0.24 1.88 0.37 0.00 0.00 175.52 177.38 2vjx h TYR 599 N 0.08 1.12 -0.68 3.16 -1.99 -0.94 -3.09 116.97 114.63 2vjx h TYR 599 Ca 0.09 -0.28 0.04 0.00 2.00 0.00 0.00 58.73 60.58 2vjx h TYR 599 Cb 0.10 -0.26 -0.05 0.00 2.00 0.00 0.00 36.73 38.52 2vjx h TYR 599 CO -0.16 1.10 0.40 1.98 -0.00 0.00 0.00 178.16 181.48 2vjx h MET 600 N 0.83 0.74 0.00 4.88 4.05 -0.30 -2.50 114.93 122.63 2vjx h MET 600 Ca 0.10 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 2vjx h MET 600 Cb 0.81 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.44 2vjx h MET 600 CO 0.07 0.49 -0.16 1.49 0.23 0.00 0.00 176.91 179.03 2vjx h GLU 601 N 0.77 0.00 -0.10 0.39 4.22 -1.15 0.13 114.58 118.84 2vjx h GLU 601 Ca 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.71 2vjx h GLU 601 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2vjx h GLU 601 CO -0.14 0.16 -0.03 0.00 -2.18 0.00 0.00 179.01 176.82 2vjx h ARG 602 N 0.00 0.14 0.00 1.92 3.08 -1.41 -3.37 114.38 114.75 2vjx h ARG 602 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2vjx h ARG 602 Cb 0.29 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2vjx h ARG 602 CO 0.02 0.19 -0.68 -0.25 -1.07 0.00 0.00 179.97 178.18 2vjx n ASP 603 N -4.42 3.38 -4.12 7.04 8.00 -0.81 -4.98 116.55 120.65 2vjx n ASP 603 Ca -0.01 -0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.34 2vjx n ASP 603 Cb 0.16 0.71 -0.11 0.00 -0.02 0.00 0.00 41.12 41.86 2vjx n ASP 603 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2vjx s TYR 604 N -1.39 0.83 -0.03 1.24 2.02 0.40 -1.14 117.35 119.29 2vjx s TYR 604 Ca 0.00 -0.66 -0.30 0.00 -0.37 0.00 0.00 57.07 55.74 2vjx s TYR 604 Cb 0.00 -0.48 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 2vjx s TYR 604 CO 0.00 -0.08 1.33 0.42 -1.57 0.00 0.00 175.55 175.65 2vjx s ILE 605 N -2.29 3.94 -0.13 2.71 1.01 -1.26 -4.22 121.20 120.96 2vjx s ILE 605 Ca 0.00 1.28 -0.29 0.00 0.00 0.00 0.00 60.65 61.64 2vjx s ILE 605 Cb -0.04 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2vjx s ILE 605 CO -0.01 -0.01 1.53 -0.63 0.00 0.00 0.00 174.94 175.81 2vjx s ILE 606 N 2.48 3.82 0.60 2.92 1.01 -1.26 -4.99 121.20 125.77 2vjx s ILE 606 Ca 0.61 0.97 -0.18 0.00 0.00 0.00 0.00 60.65 62.05 2vjx s ILE 606 Cb -0.28 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 2vjx s ILE 606 CO 0.24 -0.14 1.14 -2.84 0.00 0.00 0.00 174.94 173.34 2vjx s PRO 607 N 4.02 3.06 0.17 2.79 0.02 -1.26 -4.97 135.00 138.83 2vjx s PRO 607 Ca 0.67 1.58 0.05 0.00 0.02 0.00 0.00 61.00 63.33 2vjx s PRO 607 Cb -0.28 -1.97 -0.01 0.00 0.02 0.00 0.00 34.50 32.26 2vjx s PRO 607 CO 0.25 -1.08 1.38 0.93 -0.33 0.00 0.00 177.00 178.15 2vjx h GLU 608 N 0.71 0.09 -6.41 5.54 5.08 -1.95 -3.43 114.58 114.22 2vjx h GLU 608 Ca -0.49 -0.11 -0.54 0.00 -1.00 0.00 0.00 59.36 57.22 2vjx h GLU 608 Cb 1.26 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 2vjx h GLU 608 CO 0.55 0.91 -0.08 -1.54 -1.00 0.00 0.00 179.01 177.86 2vjx s SER 609 N -6.85 6.75 0.16 1.42 1.04 -1.26 -4.98 113.70 109.98 2vjx s SER 609 Ca -0.01 1.04 -0.15 0.00 0.48 0.00 0.00 55.95 57.31 2vjx s SER 609 Cb 0.10 -2.27 0.03 0.00 0.10 0.00 0.00 66.02 63.98 2vjx s SER 609 CO 0.81 0.01 1.79 0.15 0.98 0.00 0.00 173.24 176.99 2vjx h PHE 610 N 3.05 0.61 -0.90 5.02 3.57 -1.89 -0.53 116.94 125.87 2vjx h PHE 610 Ca -0.48 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 2vjx h PHE 610 Cb 1.18 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 2vjx h PHE 610 CO 0.63 0.42 0.51 0.93 -2.23 0.00 0.00 178.31 178.57 2vjx h GLU 611 N 0.62 1.24 -0.25 1.11 3.07 -1.94 -0.42 114.58 118.00 2vjx h GLU 611 Ca 0.17 -0.13 -0.15 0.00 -0.50 0.00 0.00 59.36 58.74 2vjx h GLU 611 Cb -0.01 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.64 2vjx h GLU 611 CO -0.03 0.89 -0.46 -0.44 -1.40 0.00 0.00 179.01 177.57 2vjx h ASP 612 N 1.25 0.70 -0.25 1.42 3.32 -1.87 -2.21 116.42 118.77 2vjx h ASP 612 Ca 0.32 -0.34 0.02 0.00 0.02 0.00 0.00 57.03 57.05 2vjx h ASP 612 Cb 0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2vjx h ASP 612 CO -0.05 1.05 0.10 0.15 -1.72 0.00 0.00 179.24 178.78 2vjx h PHE 613 N 0.52 0.19 -0.27 4.55 3.57 -0.61 -0.09 116.94 124.81 2vjx h PHE 613 Ca 0.03 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.60 2vjx h PHE 613 Cb 1.00 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 2vjx h PHE 613 CO 0.05 0.10 -0.10 0.28 -2.23 0.00 0.00 178.31 176.40 2vjx h VAL 614 N 0.23 0.65 -0.11 1.41 2.07 -0.97 0.13 116.25 119.66 2vjx h VAL 614 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 2vjx h VAL 614 Cb 0.06 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2vjx h VAL 614 CO -0.10 0.00 -0.07 0.22 0.02 0.00 0.00 177.57 177.65 2vjx h TYR 615 N -0.06 -0.16 -0.37 1.57 3.20 -1.08 -1.34 116.97 118.73 2vjx h TYR 615 Ca 0.14 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 2vjx h TYR 615 Cb 0.26 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 2vjx h TYR 615 CO -0.30 -0.11 -0.05 0.28 -1.64 0.00 0.00 178.16 176.35 2vjx h VAL 616 N -0.07 1.23 -0.65 1.81 2.07 -0.82 -2.06 116.25 117.75 2vjx h VAL 616 Ca 0.07 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.67 2vjx h VAL 616 Cb 0.17 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 2vjx h VAL 616 CO -0.16 0.33 0.43 1.23 0.02 0.00 0.00 177.57 179.42 2vjx h GLY 617 N 0.92 0.86 0.62 2.17 0.00 -0.40 0.12 103.07 107.37 2vjx h GLY 617 Ca 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2vjx h GLY 617 CO 0.02 0.24 -0.02 1.41 0.00 0.00 0.00 176.54 178.19 2vjx h LEU 618 N 0.73 0.08 -0.57 3.11 3.38 -0.63 -1.99 115.31 119.43 2vjx h LEU 618 Ca 0.27 -0.42 0.11 0.00 0.09 0.00 0.00 57.88 57.93 2vjx h LEU 618 Cb 0.14 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 2vjx h LEU 618 CO -0.08 0.48 0.07 0.58 0.09 0.00 0.00 178.44 179.58 2vjx h VAL 619 N -0.32 0.61 0.21 1.22 2.07 -1.00 -1.76 116.25 117.28 2vjx h VAL 619 Ca 0.01 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2vjx h VAL 619 Cb 0.45 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2vjx h VAL 619 CO 0.01 0.04 -0.10 0.25 0.02 0.00 0.00 177.57 177.78 2vjx h LEU 620 N 0.19 -0.24 -0.71 2.57 5.85 -0.72 0.26 115.31 122.51 2vjx h LEU 620 Ca 0.30 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.03 2vjx h LEU 620 Cb 0.45 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2vjx h LEU 620 CO -0.42 -0.16 0.45 -0.61 -0.34 0.00 0.00 178.44 177.37 2vjx h GLN 621 N -0.31 0.87 0.09 1.25 4.15 -1.20 -0.95 115.11 119.01 2vjx h GLN 621 Ca -0.03 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 2vjx h GLN 621 Cb 0.23 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2vjx h GLN 621 CO 0.05 0.58 -0.04 0.78 -1.93 0.00 0.00 178.83 178.26 2vjx h GLY 622 N 0.90 -0.13 0.97 2.39 0.00 -1.00 -1.99 103.07 104.21 2vjx h GLY 622 Ca 0.28 0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.56 2vjx h GLY 622 CO -0.09 -0.05 -0.15 1.46 0.00 0.00 0.00 176.54 177.71 2vjx h GLN 623 N -0.23 0.73 -0.08 4.80 1.08 -0.68 -1.50 115.11 119.22 2vjx h GLN 623 Ca -0.01 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 56.86 2vjx h GLN 623 Cb 0.19 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2vjx h GLN 623 CO 0.02 0.91 -0.01 0.78 -0.95 0.00 0.00 178.83 179.58 2vjx h GLY 624 N 0.51 0.17 0.96 3.46 0.00 -1.23 -2.34 103.07 104.61 2vjx h GLY 624 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2vjx h GLY 624 CO 0.05 0.13 0.16 -0.33 0.00 0.00 0.00 176.54 176.55 2vjx h MET 625 N -0.16 0.71 0.00 4.80 2.86 -1.40 -2.59 114.93 119.14 2vjx h MET 625 Ca 0.02 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 2vjx h MET 625 Cb 0.40 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2vjx h MET 625 CO 0.01 0.66 -0.17 0.07 1.06 0.00 0.00 176.91 178.54 2vjx h ARG 626 N 0.61 0.00 -0.85 1.72 -0.00 -1.28 -0.57 114.38 114.01 2vjx h ARG 626 Ca 0.15 0.00 0.04 0.00 -0.00 0.00 0.00 59.98 60.17 2vjx h ARG 626 Cb 0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.16 2vjx h ARG 626 CO -0.01 0.17 0.56 1.25 -0.00 0.00 0.00 179.97 181.94 2vjx h HIS 627 N 0.00 1.01 -0.17 4.08 2.76 -1.03 -1.28 115.15 120.52 2vjx h HIS 627 Ca -0.00 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 2vjx h HIS 627 Cb 0.31 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 2vjx h HIS 627 CO 0.00 0.59 -0.12 0.78 -1.30 0.00 0.00 177.93 177.88 2vjx h GLY 628 N 1.04 0.41 0.66 5.26 0.00 -0.96 -1.79 103.07 107.69 2vjx h GLY 628 Ca 0.34 -0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.35 2vjx h GLY 628 CO -0.10 0.35 0.50 1.41 0.00 0.00 0.00 176.54 178.70 2vjx h LEU 629 N 0.04 0.76 -0.46 3.11 3.38 -0.92 -1.16 115.31 120.05 2vjx h LEU 629 Ca 0.03 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2vjx h LEU 629 Cb 0.62 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2vjx h LEU 629 CO 0.03 0.47 0.11 -0.33 0.09 0.00 0.00 178.44 178.81 2vjx h GLU 630 N 0.88 0.74 -0.83 1.13 5.08 -1.25 -2.20 114.58 118.13 2vjx h GLU 630 Ca 0.37 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2vjx h GLU 630 Cb 0.23 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2vjx h GLU 630 CO -0.19 0.74 0.55 0.00 -1.00 0.00 0.00 179.01 179.10 2vjx h ALA 631 N 0.97 1.41 -0.12 3.43 0.00 -0.57 0.05 119.26 124.42 2vjx h ALA 631 Ca 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2vjx h ALA 631 Cb 0.33 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2vjx h ALA 631 CO 0.00 0.55 -0.07 0.45 0.00 0.00 0.00 179.25 180.18 2vjx h HIS 632 N 1.12 0.31 -0.79 0.00 3.86 -0.94 -2.04 115.15 116.66 2vjx h HIS 632 Ca 0.30 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 2vjx h HIS 632 Cb -0.13 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.23 2vjx h HIS 632 CO -0.00 0.62 0.46 0.00 0.86 0.00 0.00 177.93 179.87 2vjx h ARG 633 N -0.09 1.09 -0.31 2.45 3.08 -1.33 -2.90 114.38 116.37 2vjx h ARG 633 Ca 0.03 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2vjx h ARG 633 Cb 0.54 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2vjx h ARG 633 CO 0.02 0.78 0.04 -0.09 -1.07 0.00 0.00 179.97 179.65 2vjx h ARG 634 N 1.09 0.46 -0.78 0.04 2.43 -0.88 -2.79 114.38 113.94 2vjx h ARG 634 Ca 0.28 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2vjx h ARG 634 Cb -0.01 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 2vjx h ARG 634 CO -0.05 0.45 0.08 0.09 -1.51 0.00 0.00 179.97 179.03 2vjx n ASN 635 N -4.34 3.94 -4.77 -3.80 3.02 -0.78 -4.79 115.26 103.75 2vjx n ASN 635 Ca 0.01 -2.68 -0.39 0.00 -0.03 0.00 0.00 54.58 51.49 2vjx n ASN 635 Cb 0.20 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 2vjx n ASN 635 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2vjx s ARG 636 N -2.13 4.28 0.00 3.52 3.52 -1.06 -1.36 118.95 125.73 2vjx s ARG 636 Ca 0.35 1.87 0.27 0.00 -0.13 0.00 0.00 55.73 58.09 2vjx s ARG 636 Cb 0.27 -2.88 0.85 0.00 -1.56 0.00 0.00 34.95 31.63 2vjx s ARG 636 CO 0.10 -0.13 1.62 -0.35 -0.81 0.00 0.00 175.30 175.72 2vjx n PRO 637 N 0.50 1.18 -0.09 5.12 -0.04 -1.26 -4.60 135.00 135.82 2vjx n PRO 637 Ca 0.02 -0.70 -0.06 0.00 -0.04 0.00 0.00 63.50 62.71 2vjx n PRO 637 Cb 0.45 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2vjx n PRO 637 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2vjx h TYR 638 N 1.72 -0.22 -3.04 0.54 3.20 -1.73 -3.37 116.97 114.06 2vjx h TYR 638 Ca 0.00 0.03 -0.62 0.00 3.14 0.00 0.00 58.73 61.28 2vjx h TYR 638 Cb 0.52 0.15 -0.10 0.00 1.54 0.00 0.00 36.73 38.84 2vjx h TYR 638 CO 0.00 -0.16 -0.46 0.00 -1.64 0.00 0.00 178.16 175.90 2vjx n MET 640 N 2.93 1.75 0.00 0.00 2.81 -0.35 -3.65 117.12 120.61 2vjx n MET 640 Ca -0.17 -1.90 0.00 0.00 -1.81 0.00 0.00 57.70 53.82 2vjx n MET 640 Cb 0.53 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 2vjx n MET 640 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2vjx n GLY 641 N -0.87 0.56 3.11 3.03 0.00 -1.26 -2.10 105.19 107.67 2vjx n GLY 641 Ca 0.08 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 2vjx n GLY 641 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2vjx s THR 642 N -2.00 -0.29 -0.29 2.61 -1.32 -0.12 -0.90 115.64 113.33 2vjx s THR 642 Ca 0.00 0.19 0.01 0.00 -1.21 0.00 0.00 61.69 60.69 2vjx s THR 642 Cb 0.00 -0.50 0.09 0.00 -1.51 0.00 0.00 72.50 70.58 2vjx s THR 642 CO 0.00 0.08 0.03 -0.76 -2.21 0.00 0.00 174.62 171.76 2vjx s LEU 643 N 1.98 3.17 0.60 9.08 1.43 0.54 -1.24 118.68 134.25 2vjx s LEU 643 Ca -0.04 -1.66 -0.15 0.00 -1.03 0.00 0.00 54.13 51.25 2vjx s LEU 643 Cb -0.11 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 2vjx s LEU 643 CO -0.10 -0.35 1.05 -0.72 0.23 0.00 0.00 176.35 176.47 2vjx s TYR 644 N 1.31 3.02 -0.36 0.29 1.13 -0.79 -3.24 117.35 118.71 2vjx s TYR 644 Ca 0.05 1.50 -0.13 0.00 -1.41 0.00 0.00 57.07 57.08 2vjx s TYR 644 Cb -0.18 -2.98 -0.00 0.00 -1.10 0.00 0.00 41.96 37.69 2vjx s TYR 644 CO -0.13 -1.10 0.26 -0.46 -2.51 0.00 0.00 175.55 171.61 2vjx s TRP 645 N -2.53 3.23 0.15 -3.49 -0.11 0.66 -0.62 118.94 116.23 2vjx s TRP 645 Ca 0.63 -0.37 -0.02 0.00 1.22 0.00 0.00 56.10 57.56 2vjx s TRP 645 Cb -0.16 -2.51 -0.04 0.00 -1.50 0.00 0.00 33.47 29.27 2vjx s TRP 645 CO 0.39 -0.45 0.09 1.14 -4.62 0.00 0.00 176.95 173.50 2vjx s GLN 646 N 1.70 1.00 0.01 5.86 -2.07 -0.86 -4.10 119.66 121.19 2vjx s GLN 646 Ca 0.06 -1.44 -0.22 0.00 -1.82 0.00 0.00 55.36 51.94 2vjx s GLN 646 Cb -0.18 0.26 -0.18 0.00 -1.09 0.00 0.00 33.01 31.82 2vjx s GLN 646 CO 0.10 -0.30 1.23 1.25 -1.32 0.00 0.00 175.29 176.25 2vjx h LEU 647 N 2.79 0.33 -8.57 2.60 5.85 -0.70 -2.37 115.31 115.24 2vjx h LEU 647 Ca -0.35 -0.59 -0.28 0.00 0.84 0.00 0.00 57.88 57.51 2vjx h LEU 647 Cb 1.21 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 42.04 2vjx h LEU 647 CO 0.57 0.86 -0.31 0.54 -0.34 0.00 0.00 178.44 179.75 2vjx s ASN 648 N -6.21 0.79 0.10 1.25 4.22 -1.26 -1.70 114.94 112.13 2vjx s ASN 648 Ca -0.15 -1.44 0.07 0.00 -2.14 0.00 0.00 52.86 49.20 2vjx s ASN 648 Cb 0.04 0.58 -0.03 0.00 1.28 0.00 0.00 41.25 43.11 2vjx s ASN 648 CO 0.75 -1.15 -0.16 -1.81 -2.04 0.00 0.00 177.10 172.69 2vjx s ASP 649 N -3.22 2.10 0.02 3.54 1.01 -1.23 -4.70 116.67 114.20 2vjx s ASP 649 Ca 0.33 -0.71 0.23 0.00 0.71 0.00 0.00 52.55 53.11 2vjx s ASP 649 Cb 0.01 -0.09 0.16 0.00 1.01 0.00 0.00 42.92 44.02 2vjx s ASP 649 CO 0.19 -0.05 1.16 -1.54 0.21 0.00 0.00 175.17 175.13 2vjx n SER 650 N 0.92 0.67 -3.70 0.27 3.41 -1.24 -4.53 113.62 109.42 2vjx n SER 650 Ca -0.18 -0.44 -0.02 0.00 -0.26 0.00 0.00 58.87 57.97 2vjx n SER 650 Cb 0.55 0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 65.11 2vjx n SER 650 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2vjx s TRP 651 N -3.06 -0.10 -0.19 7.33 1.48 -1.26 -2.14 118.94 121.00 2vjx s TRP 651 Ca 0.08 -0.13 -0.29 0.00 -1.06 0.00 0.00 56.10 54.70 2vjx s TRP 651 Cb 0.16 0.60 -0.04 0.00 -1.16 0.00 0.00 33.47 33.04 2vjx s TRP 651 CO 0.78 -0.62 1.76 -2.14 -4.06 0.00 0.00 176.95 172.67 2vjx s PRO 652 N -2.97 3.73 0.11 3.25 0.02 -1.26 -4.48 135.00 133.41 2vjx s PRO 652 Ca 0.13 1.85 -0.25 0.00 0.02 0.00 0.00 61.00 62.75 2vjx s PRO 652 Cb 0.01 -4.11 0.08 0.00 0.02 0.00 0.00 34.50 30.50 2vjx s PRO 652 CO -0.00 -1.38 0.70 0.54 -0.33 0.00 0.00 177.00 176.52 2vjx s VAL 653 N 5.61 0.00 -0.06 3.83 0.11 -1.26 -4.91 120.40 123.71 2vjx s VAL 653 Ca 0.78 -0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 59.50 2vjx s VAL 653 Cb -0.29 -1.04 -0.02 0.00 -1.53 0.00 0.00 36.38 33.50 2vjx s VAL 653 CO 0.32 0.00 1.09 -0.69 -3.33 0.00 0.00 175.10 172.49 2vjx s VAL 654 N -3.55 4.55 0.29 2.04 1.01 0.22 -4.43 120.40 120.53 2vjx s VAL 654 Ca 0.03 1.84 -0.09 0.00 0.00 0.00 0.00 61.98 63.75 2vjx s VAL 654 Cb -0.01 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.22 2vjx s VAL 654 CO -0.11 0.03 0.55 -1.54 0.00 0.00 0.00 175.10 174.03 2vjx n SER 655 N 4.86 -1.59 -0.12 3.32 3.41 -1.11 -4.61 113.62 117.79 2vjx n SER 655 Ca 0.09 -2.26 0.09 0.00 -0.26 0.00 0.00 58.87 56.53 2vjx n SER 655 Cb 0.48 2.69 0.48 0.00 -0.26 0.00 0.00 64.21 67.60 2vjx n SER 655 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2vjx n TRP 656 N -0.41 0.05 -1.67 7.33 8.01 -1.26 -0.63 117.44 128.86 2vjx n TRP 656 Ca -0.05 -0.02 -0.34 0.00 -1.31 0.00 0.00 57.50 55.78 2vjx n TRP 656 Cb 0.45 0.00 0.06 0.00 -2.01 0.00 0.00 31.31 29.81 2vjx n TRP 656 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 2vjx s SER 657 N -1.53 4.74 0.03 -0.99 1.04 -1.25 -2.03 113.70 113.71 2vjx s SER 657 Ca 0.27 2.20 0.22 0.00 0.48 0.00 0.00 55.95 59.13 2vjx s SER 657 Cb 0.13 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.57 2vjx s SER 657 CO 0.21 -1.88 0.86 -1.54 0.98 0.00 0.00 173.24 171.87 2vjx n SER 658 N -2.41 0.54 -3.93 7.02 3.41 -0.88 -4.82 113.62 112.54 2vjx n SER 658 Ca 0.12 -0.27 -0.25 0.00 -0.26 0.00 0.00 58.87 58.21 2vjx n SER 658 Cb 0.51 1.13 -0.17 0.00 -0.26 0.00 0.00 64.21 65.42 2vjx n SER 658 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2vjx s ILE 659 N -3.25 0.98 1.02 -1.33 1.01 -0.69 -0.89 121.20 118.05 2vjx s ILE 659 Ca 0.01 -0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.20 2vjx s ILE 659 Cb 0.14 -0.97 0.20 0.00 0.01 0.00 0.00 42.46 41.85 2vjx s ILE 659 CO 0.84 0.34 1.18 1.51 0.00 0.00 0.00 174.94 178.82 2vjx s ASP 660 N 1.35 2.55 0.44 3.58 1.47 -0.66 -3.48 116.67 121.92 2vjx s ASP 660 Ca -0.02 0.65 0.16 0.00 1.18 0.00 0.00 52.55 54.52 2vjx s ASP 660 Cb -0.14 -0.96 1.09 0.00 -0.34 0.00 0.00 42.92 42.57 2vjx s ASP 660 CO -0.04 -3.12 1.96 0.22 0.68 0.00 0.00 175.17 174.87 2vjx h TYR 661 N -1.89 0.39 -0.14 2.11 3.20 -1.80 -0.61 116.97 118.23 2vjx h TYR 661 Ca -0.47 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.41 2vjx h TYR 661 Cb 1.29 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2vjx h TYR 661 CO -0.91 0.17 0.00 0.66 -1.64 0.00 0.00 178.16 176.43 2vjx n TYR 662 N -4.46 0.18 -0.68 -3.82 4.01 -1.26 -4.90 117.16 106.23 2vjx n TYR 662 Ca 0.12 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2vjx n TYR 662 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 2vjx n TYR 662 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2vjx n GLY 663 N 0.99 0.70 3.69 2.72 0.00 -0.24 -3.89 105.19 109.17 2vjx n GLY 663 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2vjx n GLY 663 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vjx s ASN 664 N -2.24 6.94 -0.01 1.61 0.01 -1.26 -4.81 114.94 115.18 2vjx s ASN 664 Ca 0.00 1.97 -0.30 0.00 -0.71 0.00 0.00 52.86 53.82 2vjx s ASN 664 Cb 0.00 -2.56 -0.06 0.00 0.41 0.00 0.00 41.25 39.04 2vjx s ASN 664 CO 0.00 -0.66 1.52 0.26 -1.51 0.00 0.00 177.10 176.72 2vjx s TRP 665 N 2.34 2.49 0.94 2.20 0.52 -1.26 -1.65 118.94 124.52 2vjx s TRP 665 Ca 0.60 0.53 -0.13 0.00 0.02 0.00 0.00 56.10 57.12 2vjx s TRP 665 Cb -0.28 -3.80 0.15 0.00 -1.15 0.00 0.00 33.47 28.40 2vjx s TRP 665 CO 0.24 -3.14 1.14 0.15 0.02 0.00 0.00 176.95 175.36 2vjx s LYS 666 N 3.03 0.92 0.31 4.98 1.02 -0.06 -4.92 119.74 125.01 2vjx s LYS 666 Ca 0.68 0.26 0.05 0.00 0.02 0.00 0.00 55.97 56.99 2vjx s LYS 666 Cb -0.33 -1.82 0.71 0.00 -0.52 0.00 0.00 37.83 35.87 2vjx s LYS 666 CO 0.28 -2.34 1.81 0.00 -0.92 0.00 0.00 175.35 174.18 2vjx h ALA 667 N -1.60 1.68 -0.85 5.17 0.00 -1.85 -1.73 119.26 120.07 2vjx h ALA 667 Ca -0.50 0.05 0.15 0.00 0.00 0.00 0.00 54.91 54.61 2vjx h ALA 667 Cb 1.33 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2vjx h ALA 667 CO 0.59 0.01 0.56 1.25 0.00 0.00 0.00 179.25 181.66 2vjx h LEU 668 N 0.81 0.54 -0.33 0.00 5.85 -1.84 -0.07 115.31 120.28 2vjx h LEU 668 Ca 0.53 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 59.10 2vjx h LEU 668 Cb 0.76 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 2vjx h LEU 668 CO -0.31 0.27 -0.54 -0.74 -0.34 0.00 0.00 178.44 176.78 2vjx h HIS 669 N 0.57 1.05 -0.65 1.25 2.76 -1.42 0.21 115.15 118.91 2vjx h HIS 669 Ca 0.43 -0.37 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 2vjx h HIS 669 Cb 0.83 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.56 2vjx h HIS 669 CO -0.00 1.19 0.21 1.88 -1.30 0.00 0.00 177.93 179.91 2vjx h TYR 670 N 0.65 1.05 -0.47 5.26 0.05 -1.42 -1.24 116.97 120.85 2vjx h TYR 670 Ca 0.02 -0.10 -0.09 0.00 0.05 0.00 0.00 58.73 58.61 2vjx h TYR 670 Cb 1.14 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.56 2vjx h TYR 670 CO 0.07 0.85 -0.06 1.96 -1.05 0.00 0.00 178.16 179.93 2vjx h GLN 671 N 0.94 0.82 0.13 4.88 1.08 -0.81 -1.95 115.11 120.19 2vjx h GLN 671 Ca 0.21 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2vjx h GLN 671 Cb 0.29 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2vjx h GLN 671 CO -0.01 0.86 -0.06 0.00 -0.95 0.00 0.00 178.83 178.67 2vjx h ALA 672 N 1.18 -0.17 -0.71 3.87 0.00 -0.43 0.73 119.26 123.73 2vjx h ALA 672 Ca 0.13 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2vjx h ALA 672 Cb 0.54 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 2vjx h ALA 672 CO 0.03 -0.55 -0.41 -0.22 0.00 0.00 0.00 179.25 178.10 2vjx h LYS 673 N -0.26 -0.13 -0.41 0.00 3.64 -1.04 0.89 116.57 119.25 2vjx h LYS 673 Ca -0.02 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2vjx h LYS 673 Cb 0.21 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2vjx h LYS 673 CO 0.03 -0.09 0.23 0.00 -2.27 0.00 0.00 179.45 177.35 2vjx h ARG 674 N -0.14 0.58 0.00 1.90 3.08 -1.22 -2.18 114.38 116.39 2vjx h ARG 674 Ca 0.23 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2vjx h ARG 674 Cb 0.56 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2vjx h ARG 674 CO -0.78 0.46 0.00 0.00 -1.07 0.00 0.00 179.97 178.58 2vjx h ALA 675 N 1.08 1.00 -0.36 0.04 0.00 -0.32 -2.66 119.26 118.03 2vjx h ALA 675 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2vjx h ALA 675 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2vjx h ALA 675 CO -0.02 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.42 2vjx n PHE 676 N -3.03 0.46 -1.64 0.00 3.72 0.26 -4.79 117.46 112.45 2vjx n PHE 676 Ca 0.01 -0.24 -0.46 0.00 -0.05 0.00 0.00 57.45 56.71 2vjx n PHE 676 Cb 0.31 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 2vjx n PHE 676 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2vjx n ALA 677 N 1.47 0.44 -0.28 4.37 0.00 -0.86 -4.82 120.51 120.83 2vjx n ALA 677 Ca 0.19 0.43 0.09 0.00 0.00 0.00 0.00 53.44 54.14 2vjx n ALA 677 Cb 0.60 -2.18 0.22 0.00 0.00 0.00 0.00 19.45 18.09 2vjx n ALA 677 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2vjx h PRO 678 N 3.80 0.17 -5.23 0.00 0.11 -1.92 -3.35 132.00 125.59 2vjx h PRO 678 Ca -0.44 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.00 2vjx h PRO 678 Cb 1.30 -0.04 -0.28 0.00 0.11 0.00 0.00 31.00 32.09 2vjx h PRO 678 CO 0.73 0.11 -0.77 0.08 -0.21 0.00 0.00 178.00 177.94 2vjx s VAL 679 N -6.03 2.98 -0.03 3.15 1.01 -1.26 -0.71 120.40 119.50 2vjx s VAL 679 Ca -0.13 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2vjx s VAL 679 Cb 0.24 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 34.36 2vjx s VAL 679 CO 0.76 0.51 -0.08 -0.22 0.00 0.00 0.00 175.10 176.07 2vjx s LEU 680 N 0.67 1.68 -0.32 3.92 2.96 0.26 -4.89 118.68 122.96 2vjx s LEU 680 Ca -0.06 -0.17 -0.18 0.00 -0.22 0.00 0.00 54.13 53.49 2vjx s LEU 680 Cb -0.15 -0.52 -0.01 0.00 0.50 0.00 0.00 46.19 46.00 2vjx s LEU 680 CO 0.02 0.03 0.53 -0.63 -1.32 0.00 0.00 176.35 174.99 2vjx s ILE 681 N 0.39 5.02 -0.47 6.68 1.01 -1.26 -1.02 121.20 131.54 2vjx s ILE 681 Ca -0.06 0.59 -0.00 0.00 0.00 0.00 0.00 60.65 61.18 2vjx s ILE 681 Cb -0.10 -3.92 0.12 0.00 0.01 0.00 0.00 42.46 38.57 2vjx s ILE 681 CO 0.01 -0.11 0.24 0.21 0.00 0.00 0.00 174.94 175.28 2vjx s ASN 682 N 1.68 4.97 0.16 3.58 3.04 0.52 -4.78 114.94 124.11 2vjx s ASN 682 Ca 0.20 -2.44 -0.30 0.00 0.04 0.00 0.00 52.86 50.37 2vjx s ASN 682 Cb -0.15 -1.76 -0.07 0.00 -1.54 0.00 0.00 41.25 37.73 2vjx s ASN 682 CO 0.12 -0.41 1.08 -2.16 -3.04 0.00 0.00 177.10 172.69 2vjx s PRO 683 N 0.53 4.60 -0.06 0.43 0.04 -1.26 -0.65 135.00 138.64 2vjx s PRO 683 Ca 0.13 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 2vjx s PRO 683 Cb -0.22 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.05 2vjx s PRO 683 CO -0.04 0.08 0.01 -1.50 0.04 0.00 0.00 177.00 175.59 2vjx s ILE 684 N -0.13 0.25 -0.19 0.56 1.10 0.45 -4.98 121.20 118.26 2vjx s ILE 684 Ca 0.49 0.17 -0.03 0.00 -0.51 0.00 0.00 60.65 60.78 2vjx s ILE 684 Cb -0.28 -0.41 -0.01 0.00 0.15 0.00 0.00 42.46 41.90 2vjx s ILE 684 CO 0.34 0.22 -0.07 -1.58 -2.11 0.00 0.00 174.94 171.74 2vjx s GLN 685 N 1.81 3.37 0.01 3.50 0.74 -1.26 -0.98 119.66 126.85 2vjx s GLN 685 Ca 0.02 -0.65 -0.04 0.00 0.05 0.00 0.00 55.36 54.74 2vjx s GLN 685 Cb -0.12 -2.88 -0.01 0.00 1.10 0.00 0.00 33.01 31.09 2vjx s GLN 685 CO -0.04 -0.08 0.08 -0.65 -0.55 0.00 0.00 175.29 174.05 2vjx s GLN 686 N 1.14 0.40 -1.56 1.67 -0.21 -0.32 -4.93 119.66 115.85 2vjx s GLN 686 Ca 0.01 -0.43 -0.14 0.00 0.02 0.00 0.00 55.36 54.82 2vjx s GLN 686 Cb -0.14 0.16 0.10 0.00 1.00 0.00 0.00 33.01 34.12 2vjx s GLN 686 CO -0.02 -0.09 0.92 0.09 -2.12 0.00 0.00 175.29 174.07 2vjx n ASN 687 N 1.62 -4.21 -1.90 5.90 3.02 -1.26 -0.76 115.26 117.66 2vjx n ASN 687 Ca -0.22 -0.84 -0.18 0.00 -0.03 0.00 0.00 54.58 53.30 2vjx n ASN 687 Cb 0.56 -3.62 -0.03 0.00 -0.61 0.00 0.00 39.78 36.08 2vjx n ASN 687 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2vjx n ASP 688 N -2.81 -5.30 -4.00 6.41 2.03 -1.26 -4.98 116.55 106.64 2vjx n ASP 688 Ca 0.03 0.11 -0.11 0.00 0.52 0.00 0.00 54.79 55.35 2vjx n ASP 688 Cb 0.53 -4.38 -0.11 0.00 -0.72 0.00 0.00 41.12 36.44 2vjx n ASP 688 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2vjx s SER 689 N -2.35 0.41 -0.15 1.67 0.15 0.06 -1.72 113.70 111.77 2vjx s SER 689 Ca 0.00 -0.47 -0.03 0.00 0.70 0.00 0.00 55.95 56.15 2vjx s SER 689 Cb 0.00 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.36 2vjx s SER 689 CO 0.00 -0.24 -0.05 -0.22 1.20 0.00 0.00 173.24 173.93 2vjx s LEU 690 N -1.37 3.16 0.16 3.45 2.96 -0.41 -1.17 118.68 125.47 2vjx s LEU 690 Ca -0.13 -0.17 0.09 0.00 -0.22 0.00 0.00 54.13 53.70 2vjx s LEU 690 Cb -0.09 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2vjx s LEU 690 CO -0.01 0.16 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.63 2vjx s SER 691 N 0.40 4.18 -0.12 3.68 0.01 -0.15 -1.43 113.70 120.27 2vjx s SER 691 Ca -0.05 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.67 2vjx s SER 691 Cb -0.14 -0.69 0.01 0.00 0.21 0.00 0.00 66.02 65.41 2vjx s SER 691 CO 0.03 0.12 -0.19 -0.69 0.41 0.00 0.00 173.24 172.92 2vjx s VAL 692 N -1.58 1.82 0.01 3.43 1.01 0.06 -0.41 120.40 124.74 2vjx s VAL 692 Ca 0.23 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2vjx s VAL 692 Cb -0.09 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2vjx s VAL 692 CO 0.14 0.50 0.03 -0.31 0.00 0.00 0.00 175.10 175.46 2vjx s TYR 693 N 0.79 3.14 -0.20 5.22 2.02 0.18 -1.42 117.35 127.08 2vjx s TYR 693 Ca -0.09 0.11 -0.06 0.00 -0.37 0.00 0.00 57.07 56.66 2vjx s TYR 693 Cb -0.16 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 2vjx s TYR 693 CO 0.00 0.49 0.02 -0.51 -1.57 0.00 0.00 175.55 173.98 2vjx s LEU 694 N -1.69 3.40 -0.12 -1.29 1.43 0.62 -0.35 118.68 120.68 2vjx s LEU 694 Ca 0.21 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2vjx s LEU 694 Cb -0.12 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.25 2vjx s LEU 694 CO 0.12 0.09 -0.17 -0.63 0.23 0.00 0.00 176.35 175.99 2vjx s ILE 695 N 0.86 1.66 -0.05 -0.59 1.01 -0.19 -1.37 121.20 122.53 2vjx s ILE 695 Ca 0.01 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.93 2vjx s ILE 695 Cb -0.14 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.85 2vjx s ILE 695 CO 0.02 0.47 -0.06 -0.55 0.00 0.00 0.00 174.94 174.82 2vjx s SER 696 N 0.90 1.18 -0.15 3.58 0.15 0.25 -0.58 113.70 119.03 2vjx s SER 696 Ca -0.08 -0.17 0.16 0.00 0.70 0.00 0.00 55.95 56.57 2vjx s SER 696 Cb -0.15 -0.54 0.69 0.00 -1.71 0.00 0.00 66.02 64.31 2vjx s SER 696 CO -0.01 -0.04 1.61 0.47 1.20 0.00 0.00 173.24 176.47 2vjx n ASP 697 N 4.05 4.78 -4.79 5.45 8.00 0.11 -1.86 116.55 132.30 2vjx n ASP 697 Ca -0.24 -2.65 -0.34 0.00 0.71 0.00 0.00 54.79 52.28 2vjx n ASP 697 Cb 0.51 -0.58 -0.01 0.00 -0.02 0.00 0.00 41.12 41.02 2vjx n ASP 697 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2vjx s ARG 698 N -2.21 3.49 0.07 -1.24 0.52 -1.26 -4.71 118.95 113.62 2vjx s ARG 698 Ca 0.49 1.42 0.27 0.00 -0.52 0.00 0.00 55.73 57.39 2vjx s ARG 698 Cb 0.34 -2.04 0.88 0.00 0.52 0.00 0.00 34.95 34.65 2vjx s ARG 698 CO 0.19 -0.70 1.72 1.28 0.02 0.00 0.00 175.30 177.81 2vjx n LEU 699 N -1.38 0.40 -4.60 2.53 4.77 -1.26 -2.08 117.00 115.38 2vjx n LEU 699 Ca 0.10 0.40 -0.30 0.00 -0.03 0.00 0.00 56.01 56.19 2vjx n LEU 699 Cb 0.52 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 2vjx n LEU 699 CO 0.42 -0.04 -0.41 1.51 -1.33 0.00 0.00 177.39 177.55 2vjx s ASP 700 N -3.58 4.51 0.12 -1.43 -4.77 -1.26 -4.79 116.67 105.46 2vjx s ASP 700 Ca 0.12 -0.35 -0.26 0.00 -3.30 0.00 0.00 52.55 48.76 2vjx s ASP 700 Cb 0.16 -0.90 -0.07 0.00 -1.09 0.00 0.00 42.92 41.02 2vjx s ASP 700 CO 0.60 0.18 0.79 -0.89 0.70 0.00 0.00 175.17 176.55 2vjx s THR 701 N -1.24 4.51 -0.12 2.11 2.01 -1.26 -3.90 115.64 117.75 2vjx s THR 701 Ca 0.22 1.72 -0.11 0.00 0.31 0.00 0.00 61.69 63.83 2vjx s THR 701 Cb -0.11 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 2vjx s THR 701 CO 0.15 0.44 0.24 -0.04 -0.69 0.00 0.00 174.62 174.72 2vjx s MET 702 N -0.63 3.89 0.27 4.92 -1.94 0.16 -4.93 119.30 121.04 2vjx s MET 702 Ca 0.38 0.03 0.12 0.00 -1.71 0.00 0.00 55.69 54.51 2vjx s MET 702 Cb -0.22 -3.30 -0.05 0.00 2.01 0.00 0.00 34.83 33.27 2vjx s MET 702 CO 0.26 0.53 -0.20 -1.21 -0.01 0.00 0.00 175.02 174.39 2vjx s GLU 703 N -0.39 1.64 -1.44 2.03 2.02 -1.26 -0.33 118.70 120.97 2vjx s GLU 703 Ca 0.16 -1.74 -0.08 0.00 0.02 0.00 0.00 54.97 53.34 2vjx s GLU 703 Cb -0.13 -1.73 0.05 0.00 0.10 0.00 0.00 34.13 32.41 2vjx s GLU 703 CO 0.05 0.33 0.83 1.04 0.02 0.00 0.00 175.26 177.53 2vjx n GLN 704 N -0.53 -5.11 -3.37 1.61 6.02 -1.05 -4.59 117.38 110.36 2vjx n GLN 704 Ca -0.06 0.59 -0.31 0.00 -0.01 0.00 0.00 57.00 57.22 2vjx n GLN 704 Cb 0.60 -5.30 -0.04 0.00 1.02 0.00 0.00 30.24 26.52 2vjx n GLN 704 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2vjx s MET 705 N -6.37 3.72 -0.13 -1.09 -1.94 0.02 -2.67 119.30 110.84 2vjx s MET 705 Ca 0.36 0.16 0.03 0.00 -1.71 0.00 0.00 55.69 54.53 2vjx s MET 705 Cb -0.18 -2.64 0.01 0.00 2.01 0.00 0.00 34.83 34.02 2vjx s MET 705 CO 0.83 0.27 -0.21 0.99 -0.01 0.00 0.00 175.02 176.88 2vjx s THR 706 N -1.94 2.16 -0.26 2.05 2.01 0.46 -0.84 115.64 119.28 2vjx s THR 706 Ca 0.46 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 61.35 2vjx s THR 706 Cb -0.11 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 2vjx s THR 706 CO 0.25 0.55 0.39 -0.22 -0.69 0.00 0.00 174.62 174.90 2vjx s LEU 707 N 0.69 4.06 -0.10 4.42 2.96 -0.17 -0.78 118.68 129.75 2vjx s LEU 707 Ca -0.10 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 2vjx s LEU 707 Cb -0.16 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 2vjx s LEU 707 CO 0.01 -0.18 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.01 2vjx s GLU 708 N 1.98 3.04 0.05 1.98 2.12 0.20 -0.13 118.70 127.93 2vjx s GLU 708 Ca 0.16 -0.72 0.04 0.00 0.36 0.00 0.00 54.97 54.81 2vjx s GLU 708 Cb -0.16 -2.49 -0.02 0.00 0.26 0.00 0.00 34.13 31.72 2vjx s GLU 708 CO 0.09 0.34 -0.12 -1.64 -0.54 0.00 0.00 175.26 173.39 2vjx s MET 709 N 0.00 0.76 -0.09 4.30 -1.94 0.12 -0.71 119.30 121.75 2vjx s MET 709 Ca -0.05 -0.78 -0.22 0.00 -1.71 0.00 0.00 55.69 52.94 2vjx s MET 709 Cb -0.14 -0.71 0.05 0.00 2.01 0.00 0.00 34.83 36.03 2vjx s MET 709 CO 0.04 0.16 0.52 -1.59 -0.01 0.00 0.00 175.02 174.14 2vjx s LYS 710 N -1.36 0.79 -0.13 2.03 -2.85 -0.59 -0.17 119.74 117.46 2vjx s LYS 710 Ca -0.02 0.29 -0.24 0.00 -1.00 0.00 0.00 55.97 55.00 2vjx s LYS 710 Cb -0.09 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.03 2vjx s LYS 710 CO 0.01 -0.19 0.75 0.08 0.10 0.00 0.00 175.35 176.10 2vjx s VAL 711 N -0.71 4.97 -0.05 1.79 1.01 -1.26 -1.37 120.40 124.78 2vjx s VAL 711 Ca -0.08 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.44 2vjx s VAL 711 Cb -0.03 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2vjx s VAL 711 CO 0.05 0.13 -0.15 -0.69 0.00 0.00 0.00 175.10 174.44 2vjx s VAL 712 N 1.53 1.32 0.97 2.92 1.01 -0.38 0.05 120.40 127.83 2vjx s VAL 712 Ca 0.37 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 2vjx s VAL 712 Cb -0.17 -1.16 0.18 0.00 0.00 0.00 0.00 36.38 35.23 2vjx s VAL 712 CO 0.15 0.39 1.22 1.51 0.00 0.00 0.00 175.10 178.36 2vjx s ASP 713 N 0.28 2.99 0.06 3.32 1.47 -0.10 -1.21 116.67 123.48 2vjx s ASP 713 Ca -0.08 0.58 0.18 0.00 1.18 0.00 0.00 52.55 54.40 2vjx s ASP 713 Cb -0.13 -0.86 0.74 0.00 -0.34 0.00 0.00 42.92 42.33 2vjx s ASP 713 CO 0.03 -2.84 1.55 0.49 0.68 0.00 0.00 175.17 175.09 2vjx n PHE 714 N -3.89 0.19 1.11 2.11 3.72 -0.89 -1.53 117.46 118.27 2vjx n PHE 714 Ca 0.12 0.07 0.12 0.00 -0.05 0.00 0.00 57.45 57.71 2vjx n PHE 714 Cb 0.60 -0.62 0.23 0.00 -0.94 0.00 0.00 39.48 38.74 2vjx n PHE 714 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2vjx n ASP 715 N -1.67 1.05 0.00 4.37 8.00 -1.26 -1.00 116.55 126.03 2vjx n ASP 715 Ca 0.03 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.70 2vjx n ASP 715 Cb 0.20 0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2vjx n ASP 715 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vjx n GLY 716 N 1.41 0.50 3.68 0.44 0.00 -0.58 -4.82 105.19 105.83 2vjx n GLY 716 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2vjx n GLY 716 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vjx s LYS 717 N -0.94 4.33 0.24 1.61 2.20 -1.26 -4.77 119.74 121.15 2vjx s LYS 717 Ca 0.00 0.92 -0.30 0.00 -0.36 0.00 0.00 55.97 56.23 2vjx s LYS 717 Cb 0.00 -3.54 -0.10 0.00 -1.51 0.00 0.00 37.83 32.69 2vjx s LYS 717 CO 0.00 -0.19 1.43 0.99 -0.36 0.00 0.00 175.35 177.22 2vjx s THR 718 N 1.69 2.73 -0.20 3.43 2.01 -1.26 -0.92 115.64 123.11 2vjx s THR 718 Ca 0.37 0.61 -0.07 0.00 0.31 0.00 0.00 61.69 62.90 2vjx s THR 718 Cb -0.17 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2vjx s THR 718 CO 0.14 0.09 0.06 -0.76 -0.69 0.00 0.00 174.62 173.46 2vjx s LEU 719 N -0.28 3.64 0.00 4.42 1.43 0.11 -4.91 118.68 123.09 2vjx s LEU 719 Ca 0.59 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 2vjx s LEU 719 Cb -0.41 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 43.87 2vjx s LEU 719 CO 0.42 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.71 2vjx n GLY 720 N 4.04 2.21 3.48 -3.19 0.00 -1.26 -4.25 105.19 106.21 2vjx n GLY 720 Ca -0.16 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 2vjx n GLY 720 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vjx s LYS 721 N 0.00 1.66 0.28 1.61 2.20 -1.26 -5.03 119.74 119.21 2vjx s LYS 721 Ca 0.00 -1.86 -0.30 0.00 -0.36 0.00 0.00 55.97 53.45 2vjx s LYS 721 Cb 0.00 -1.36 -0.11 0.00 -1.51 0.00 0.00 37.83 34.85 2vjx s LYS 721 CO 0.00 0.06 1.61 0.15 -0.36 0.00 0.00 175.35 176.81 2vjx s LYS 722 N -3.69 4.12 -0.20 4.03 1.02 -1.26 -4.74 119.74 119.02 2vjx s LYS 722 Ca 0.31 2.58 -0.09 0.00 0.02 0.00 0.00 55.97 58.79 2vjx s LYS 722 Cb 0.04 -3.03 -0.05 0.00 -0.52 0.00 0.00 37.83 34.27 2vjx s LYS 722 CO 0.14 -0.65 0.12 0.42 -0.92 0.00 0.00 175.35 174.46 2vjx s ILE 723 N 0.17 5.28 -0.08 2.17 1.01 0.76 -4.97 121.20 125.54 2vjx s ILE 723 Ca 0.65 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.47 2vjx s ILE 723 Cb -0.48 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.59 2vjx s ILE 723 CO 0.46 0.44 -0.17 -1.10 0.00 0.00 0.00 174.94 174.57 2vjx s GLN 724 N 0.38 2.22 -0.30 2.79 -0.21 -1.26 -0.70 119.66 122.59 2vjx s GLN 724 Ca 0.07 -0.61 0.02 0.00 0.02 0.00 0.00 55.36 54.86 2vjx s GLN 724 Cb -0.11 -1.76 0.07 0.00 1.00 0.00 0.00 33.01 32.21 2vjx s GLN 724 CO -0.01 0.11 -0.03 0.08 -2.12 0.00 0.00 175.29 173.31 2vjx s VAL 725 N 0.47 2.36 0.54 1.09 1.01 0.81 -5.00 120.40 121.68 2vjx s VAL 725 Ca -0.15 -1.83 0.04 0.00 0.00 0.00 0.00 61.98 60.04 2vjx s VAL 725 Cb -0.16 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.77 2vjx s VAL 725 CO 0.06 -0.24 0.75 -1.00 0.00 0.00 0.00 175.10 174.67 2vjx s HIS 726 N 1.06 2.40 -1.55 5.22 3.76 -1.26 -1.00 115.29 123.92 2vjx s HIS 726 Ca -0.02 -0.29 -0.05 0.00 -0.15 0.00 0.00 55.06 54.55 2vjx s HIS 726 Cb -0.20 -2.59 0.01 0.00 1.11 0.00 0.00 32.58 30.91 2vjx s HIS 726 CO -0.05 -0.92 0.60 0.43 -0.85 0.00 0.00 174.74 173.94 2vjx n SER 727 N -2.26 -5.97 -4.80 1.40 7.64 -1.01 -4.93 113.62 103.69 2vjx n SER 727 Ca 0.10 -0.29 -0.38 0.00 1.01 0.00 0.00 58.87 59.31 2vjx n SER 727 Cb 0.60 -4.83 -0.06 0.00 -1.01 0.00 0.00 64.21 58.91 2vjx n SER 727 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2vjx s LEU 728 N -6.67 4.49 0.02 -3.43 1.43 -0.02 -4.77 118.68 109.73 2vjx s LEU 728 Ca 0.31 1.41 0.06 0.00 -1.03 0.00 0.00 54.13 54.88 2vjx s LEU 728 Cb -0.14 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 2vjx s LEU 728 CO 0.38 0.19 -0.15 -1.83 0.23 0.00 0.00 176.35 175.17 2vjx s GLU 729 N -1.38 2.24 -0.49 1.70 -1.05 -1.26 -0.80 118.70 117.66 2vjx s GLU 729 Ca 0.35 -0.89 0.04 0.00 -0.15 0.00 0.00 54.97 54.32 2vjx s GLU 729 Cb -0.20 -2.29 0.13 0.00 -0.44 0.00 0.00 34.13 31.34 2vjx s GLU 729 CO 0.22 0.56 0.24 0.08 0.95 0.00 0.00 175.26 177.31 2vjx s VAL 730 N -0.93 2.32 0.59 1.83 1.01 0.56 -4.97 120.40 120.81 2vjx s VAL 730 Ca 0.15 -3.08 -0.19 0.00 0.00 0.00 0.00 61.98 58.86 2vjx s VAL 730 Cb -0.11 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2vjx s VAL 730 CO 0.05 -0.80 1.19 -2.84 0.00 0.00 0.00 175.10 172.71 2vjx s PRO 731 N -0.06 2.98 0.21 2.72 0.02 -1.26 -0.67 135.00 138.94 2vjx s PRO 731 Ca 0.17 1.77 -0.32 0.00 0.02 0.00 0.00 61.00 62.64 2vjx s PRO 731 Cb -0.25 -1.94 -0.15 0.00 0.02 0.00 0.00 34.50 32.19 2vjx s PRO 731 CO -0.01 -1.18 1.21 0.00 -0.33 0.00 0.00 177.00 176.69 2vjx n ALA 732 N -1.63 -0.12 -3.60 -1.55 0.00 -1.25 -3.33 120.51 109.02 2vjx n ALA 732 Ca 0.13 0.44 -0.23 0.00 0.00 0.00 0.00 53.44 53.78 2vjx n ALA 732 Cb 0.50 -2.10 0.07 0.00 0.00 0.00 0.00 19.45 17.92 2vjx n ALA 732 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2vjx n ASN 733 N 1.92 -4.57 -4.05 0.00 3.02 -0.83 -4.98 115.26 105.79 2vjx n ASN 733 Ca 0.13 -0.62 -0.08 0.00 -0.03 0.00 0.00 54.58 53.99 2vjx n ASN 733 Cb 0.28 -4.83 -0.10 0.00 -0.61 0.00 0.00 39.78 34.52 2vjx n ASN 733 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2vjx s THR 734 N -3.36 0.18 -0.13 3.41 -4.23 -0.78 -4.99 115.64 105.75 2vjx s THR 734 Ca 0.39 -1.47 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 2vjx s THR 734 Cb -0.18 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.60 2vjx s THR 734 CO 0.75 -0.81 -0.21 -0.55 -0.54 0.00 0.00 174.62 173.26 2vjx s SER 735 N -2.39 3.22 -0.00 3.99 0.15 -1.26 -0.59 113.70 116.83 2vjx s SER 735 Ca -0.01 -0.56 -0.00 0.00 0.70 0.00 0.00 55.95 56.07 2vjx s SER 735 Cb 0.01 -1.46 -0.00 0.00 -1.71 0.00 0.00 66.02 62.86 2vjx s SER 735 CO -0.07 0.11 0.01 -0.54 1.20 0.00 0.00 173.24 173.95 2vjx s LYS 736 N 0.65 0.05 -0.10 5.44 1.02 -0.47 -4.98 119.74 121.35 2vjx s LYS 736 Ca -0.11 -0.05 -0.27 0.00 0.02 0.00 0.00 55.97 55.56 2vjx s LYS 736 Cb -0.16 0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.15 2vjx s LYS 736 CO 0.02 -0.01 0.90 0.00 -0.92 0.00 0.00 175.35 175.34 2vjx n VAL 738 N 4.36 0.00 -3.64 0.00 0.24 -0.51 -4.97 118.33 113.82 2vjx n VAL 738 Ca 0.05 -0.47 -0.08 0.00 -2.04 0.00 0.00 64.34 61.80 2vjx n VAL 738 Cb 0.50 1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 33.85 2vjx n VAL 738 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2vjx s TYR 739 N -0.72 -0.84 -0.00 6.34 5.04 -1.21 -4.99 117.35 120.97 2vjx s TYR 739 Ca 0.03 1.80 -0.00 0.00 -2.44 0.00 0.00 57.07 56.46 2vjx s TYR 739 Cb 0.03 0.45 0.01 0.00 0.35 0.00 0.00 41.96 42.80 2vjx s TYR 739 CO 0.09 -0.41 0.01 0.50 -1.34 0.00 0.00 175.55 174.39 2vjx s ARG 740 N 1.07 -0.01 -0.20 4.97 3.52 -1.26 -0.76 118.95 126.28 2vjx s ARG 740 Ca -0.05 0.03 -0.12 0.00 -0.13 0.00 0.00 55.73 55.46 2vjx s ARG 740 Cb -0.05 -0.04 0.06 0.00 -1.56 0.00 0.00 34.95 33.36 2vjx s ARG 740 CO -0.12 -0.03 0.49 0.00 -0.81 0.00 0.00 175.30 174.83 2vjx s ALA 741 N 0.18 -1.26 0.54 6.12 0.00 -0.52 -5.02 121.76 121.81 2vjx s ALA 741 Ca -0.02 1.70 -0.21 0.00 0.00 0.00 0.00 51.96 53.43 2vjx s ALA 741 Cb -0.02 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 2vjx s ALA 741 CO -0.01 -0.28 1.26 0.15 0.00 0.00 0.00 175.76 176.88 2vjx s LYS 742 N 1.23 3.22 0.06 0.00 3.01 -1.26 -1.28 119.74 124.72 2vjx s LYS 742 Ca -0.08 1.98 -0.13 0.00 -1.01 0.00 0.00 55.97 56.74 2vjx s LYS 742 Cb -0.07 -2.17 -0.27 0.00 -1.01 0.00 0.00 37.83 34.31 2vjx s LYS 742 CO -0.12 -1.05 1.13 -0.07 0.51 0.00 0.00 175.35 175.75 2vjx h LEU 743 N 1.39 0.82 -9.45 3.17 3.38 -1.70 -3.41 115.31 109.51 2vjx h LEU 743 Ca -0.50 -0.75 -0.53 0.00 0.09 0.00 0.00 57.88 56.19 2vjx h LEU 743 Cb 1.29 -0.26 0.03 0.00 0.09 0.00 0.00 40.66 41.81 2vjx h LEU 743 CO 0.57 1.56 1.09 -0.62 0.09 0.00 0.00 178.44 181.13 2vjx s ASP 744 N -7.38 6.50 0.00 -0.43 2.15 -1.26 -0.63 116.67 115.63 2vjx s ASP 744 Ca -0.09 2.62 0.00 0.00 0.43 0.00 0.00 52.55 55.51 2vjx s ASP 744 Cb 0.06 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2vjx s ASP 744 CO 0.92 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 2vjx n GLY 745 N 4.20 1.10 0.61 2.66 0.00 -1.26 -4.86 105.19 107.64 2vjx n GLY 745 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 2vjx n GLY 745 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2vjx n TRP 746 N -2.00 0.00 -4.70 1.61 -0.00 0.20 -5.05 117.44 107.50 2vjx n TRP 746 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.27 2vjx n TRP 746 Cb 0.00 -0.39 -0.15 0.00 -0.00 0.00 0.00 31.31 30.77 2vjx n TRP 746 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2vjx s LEU 747 N -6.88 1.99 0.55 5.87 1.02 -0.28 -5.10 118.68 115.85 2vjx s LEU 747 Ca -0.16 -0.28 -0.14 0.00 0.02 0.00 0.00 54.13 53.56 2vjx s LEU 747 Cb 0.05 -0.79 -0.07 0.00 0.02 0.00 0.00 46.19 45.41 2vjx s LEU 747 CO 0.21 0.17 0.99 0.42 0.02 0.00 0.00 176.35 178.17 2vjx s THR 748 N -0.25 4.60 0.48 5.49 -4.23 -1.26 -4.58 115.64 115.89 2vjx s THR 748 Ca 0.04 1.09 0.18 0.00 -1.18 0.00 0.00 61.69 61.81 2vjx s THR 748 Cb -0.07 -3.77 0.34 0.00 1.34 0.00 0.00 72.50 70.34 2vjx s THR 748 CO -0.00 -0.84 2.01 -0.65 -0.54 0.00 0.00 174.62 174.60 2vjx h PRO 749 N 0.51 0.20 -0.38 3.99 0.11 -1.99 0.46 132.00 134.90 2vjx h PRO 749 Ca -0.46 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2vjx h PRO 749 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2vjx h PRO 749 CO 0.62 0.13 0.03 0.93 -0.21 0.00 0.00 178.00 179.50 2vjx h GLU 750 N 0.21 0.66 -0.95 1.05 3.07 -2.00 -2.92 114.58 113.70 2vjx h GLU 750 Ca 0.23 -0.20 0.12 0.00 -0.50 0.00 0.00 59.36 59.01 2vjx h GLU 750 Cb 0.62 -0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 28.39 2vjx h GLU 750 CO -0.04 0.74 0.61 -0.44 -1.40 0.00 0.00 179.01 178.47 2vjx h ASP 751 N 0.49 0.84 0.45 1.42 3.32 -1.32 -2.48 116.42 119.14 2vjx h ASP 751 Ca 0.11 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 2vjx h ASP 751 Cb 0.42 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2vjx h ASP 751 CO 0.01 0.46 -0.26 0.00 -1.72 0.00 0.00 179.24 177.73 2vjx n ARG 753 N -3.85 0.50 0.00 0.00 1.74 -0.95 -4.05 116.66 110.05 2vjx n ARG 753 Ca -0.02 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 2vjx n ARG 753 Cb 0.35 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 2vjx n ARG 753 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2vjx n ARG 754 N -0.96 0.52 -4.19 5.56 1.74 -0.89 -0.86 116.66 117.57 2vjx n ARG 754 Ca 0.09 -0.70 -0.13 0.00 -0.77 0.00 0.00 57.85 56.34 2vjx n ARG 754 Cb 0.35 -0.83 -0.09 0.00 -1.02 0.00 0.00 32.46 30.87 2vjx n ARG 754 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2vjx s SER 755 N -0.29 0.30 0.12 0.55 1.04 -0.77 -2.10 113.70 112.54 2vjx s SER 755 Ca 0.00 -1.38 0.02 0.00 0.48 0.00 0.00 55.95 55.06 2vjx s SER 755 Cb 0.00 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 2vjx s SER 755 CO 0.00 -0.91 -0.04 0.72 0.98 0.00 0.00 173.24 173.99 2vjx s PHE 756 N -4.04 0.97 -0.23 5.02 -0.71 -0.35 -4.57 117.98 114.06 2vjx s PHE 756 Ca 0.37 -0.95 -0.10 0.00 -1.04 0.00 0.00 56.93 55.21 2vjx s PHE 756 Cb 0.06 -0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 41.26 2vjx s PHE 756 CO 0.14 -0.18 0.14 -1.17 -1.34 0.00 0.00 175.22 172.80 2vjx s LEU 757 N -3.07 3.99 -0.14 -1.99 2.96 0.21 -1.25 118.68 119.38 2vjx s LEU 757 Ca 0.15 0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 54.03 2vjx s LEU 757 Cb 0.06 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 2vjx s LEU 757 CO -0.02 0.07 0.19 -0.75 -1.32 0.00 0.00 176.35 174.51 2vjx s LYS 758 N 1.03 3.82 -0.05 1.98 2.47 -0.47 -0.59 119.74 127.94 2vjx s LYS 758 Ca 0.07 -0.06 0.03 0.00 -1.56 0.00 0.00 55.97 54.44 2vjx s LYS 758 Cb -0.14 -3.29 0.01 0.00 -1.46 0.00 0.00 37.83 32.95 2vjx s LYS 758 CO 0.04 0.55 -0.12 -0.51 0.16 0.00 0.00 175.35 175.47 2vjx s LEU 759 N -0.42 1.75 0.00 5.43 1.02 -0.04 -1.55 118.68 124.87 2vjx s LEU 759 Ca 0.14 -0.27 0.03 0.00 0.02 0.00 0.00 54.13 54.05 2vjx s LEU 759 Cb -0.12 -0.76 -0.01 0.00 0.02 0.00 0.00 46.19 45.31 2vjx s LEU 759 CO 0.03 0.07 -0.09 -0.63 0.02 0.00 0.00 176.35 175.76 2vjx s ILE 760 N 0.36 0.67 -0.13 -0.59 1.01 0.12 -0.64 121.20 121.99 2vjx s ILE 760 Ca -0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 2vjx s ILE 760 Cb -0.12 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 2vjx s ILE 760 CO 0.02 0.12 -0.09 -0.22 0.00 0.00 0.00 174.94 174.77 2vjx s LEU 761 N -0.39 2.95 0.06 2.97 2.96 0.39 -0.63 118.68 126.98 2vjx s LEU 761 Ca 0.02 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 2vjx s LEU 761 Cb -0.04 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2vjx s LEU 761 CO -0.00 0.18 -0.11 -1.59 -1.32 0.00 0.00 176.35 173.51 2vjx s LYS 762 N 0.27 0.67 1.17 1.98 -2.85 0.04 -0.24 119.74 120.78 2vjx s LYS 762 Ca -0.07 -0.86 -0.19 0.00 -1.00 0.00 0.00 55.97 53.85 2vjx s LYS 762 Cb -0.15 -0.54 0.28 0.00 -2.06 0.00 0.00 37.83 35.36 2vjx s LYS 762 CO 0.04 0.11 1.16 0.16 0.10 0.00 0.00 175.35 176.92 2vjx s ASP 763 N -1.69 1.19 0.45 0.03 1.47 -0.67 -0.41 116.67 117.05 2vjx s ASP 763 Ca -0.06 0.50 0.16 0.00 1.18 0.00 0.00 52.55 54.33 2vjx s ASP 763 Cb -0.10 -0.65 1.09 0.00 -0.34 0.00 0.00 42.92 42.93 2vjx s ASP 763 CO 0.01 -3.94 1.96 0.50 0.68 0.00 0.00 175.17 174.38 2vjx h LYS 764 N -2.46 0.34 -0.49 2.11 1.63 -1.76 -1.57 116.57 114.37 2vjx h LYS 764 Ca -0.44 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2vjx h LYS 764 Cb 1.28 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2vjx h LYS 764 CO 0.32 0.22 0.00 -1.13 -3.45 0.00 0.00 179.45 175.42 2vjx n SER 765 N -4.46 2.81 0.00 4.20 3.41 -1.26 -4.95 113.62 113.38 2vjx n SER 765 Ca 0.11 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 2vjx n SER 765 Cb 0.46 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2vjx n SER 765 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vjx n GLY 766 N 1.35 0.76 3.72 5.00 0.00 -0.59 -5.07 105.19 110.37 2vjx n GLY 766 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2vjx n GLY 766 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vjx s HIS 767 N -2.28 3.72 0.09 1.61 3.76 -1.26 -4.83 115.29 116.10 2vjx s HIS 767 Ca 0.00 1.72 -0.31 0.00 -0.15 0.00 0.00 55.06 56.32 2vjx s HIS 767 Cb 0.00 -3.07 -0.07 0.00 1.11 0.00 0.00 32.58 30.55 2vjx s HIS 767 CO 0.00 0.09 1.32 -1.14 -0.85 0.00 0.00 174.74 174.15 2vjx s GLN 768 N 0.57 4.36 -0.01 1.40 0.74 -1.26 -1.67 119.66 123.80 2vjx s GLN 768 Ca 0.49 1.95 0.06 0.00 0.05 0.00 0.00 55.36 57.91 2vjx s GLN 768 Cb -0.22 -3.30 -0.08 0.00 1.10 0.00 0.00 33.01 30.51 2vjx s GLN 768 CO 0.28 -0.38 0.16 1.33 -0.55 0.00 0.00 175.29 176.13 2vjx n VAL 769 N 3.98 0.00 -3.51 1.34 0.24 0.67 -4.95 118.33 116.10 2vjx n VAL 769 Ca 0.11 -0.21 -0.17 0.00 -2.04 0.00 0.00 64.34 62.03 2vjx n VAL 769 Cb 0.44 0.59 -0.05 0.00 -1.47 0.00 0.00 33.84 33.34 2vjx n VAL 769 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vjx s ALA 770 N -2.09 -1.76 0.03 2.33 0.00 -1.17 -4.94 121.76 114.16 2vjx s ALA 770 Ca -0.01 1.23 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 2vjx s ALA 770 Cb 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 2vjx s ALA 770 CO 0.23 -0.42 0.04 -1.83 0.00 0.00 0.00 175.76 173.78 2vjx s GLU 771 N -1.52 0.49 0.06 0.00 -1.05 -1.26 -0.46 118.70 114.96 2vjx s GLU 771 Ca -0.09 -0.75 -0.08 0.00 -0.15 0.00 0.00 54.97 53.90 2vjx s GLU 771 Cb -0.00 0.19 -0.00 0.00 -0.44 0.00 0.00 34.13 33.87 2vjx s GLU 771 CO 0.07 -0.11 0.17 0.45 0.95 0.00 0.00 175.26 176.79 2vjx s SER 772 N -1.97 0.11 0.04 0.83 0.15 0.19 -4.81 113.70 108.26 2vjx s SER 772 Ca -0.08 -0.56 0.08 0.00 0.70 0.00 0.00 55.95 56.10 2vjx s SER 772 Cb -0.03 0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 2vjx s SER 772 CO -0.04 -0.64 -0.23 -0.69 1.20 0.00 0.00 173.24 172.84 2vjx s VAL 773 N -3.29 1.86 -0.04 4.45 1.01 -1.26 -0.86 120.40 122.28 2vjx s VAL 773 Ca 0.01 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 60.74 2vjx s VAL 773 Cb 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.80 2vjx s VAL 773 CO -0.08 0.27 -0.11 -2.28 0.00 0.00 0.00 175.10 172.91 2vjx s HIS 774 N -0.80 1.19 -0.05 5.22 2.46 0.25 -4.99 115.29 118.57 2vjx s HIS 774 Ca 0.09 -0.34 -0.01 0.00 0.47 0.00 0.00 55.06 55.27 2vjx s HIS 774 Cb -0.09 -0.85 -0.03 0.00 -0.13 0.00 0.00 32.58 31.47 2vjx s HIS 774 CO 0.02 -0.15 0.02 -0.06 -2.47 0.00 0.00 174.74 172.10 2vjx s PHE 775 N 0.28 3.17 -1.82 3.88 0.08 -1.26 -0.62 117.98 121.69 2vjx s PHE 775 Ca -0.06 0.18 0.25 0.00 0.12 0.00 0.00 56.93 57.42 2vjx s PHE 775 Cb -0.11 -1.75 0.50 0.00 -0.57 0.00 0.00 43.02 41.09 2vjx s PHE 775 CO 0.01 0.49 1.41 1.19 -0.10 0.00 0.00 175.22 178.22 2vjx n PHE 776 N 1.79 0.00 -4.07 0.36 3.72 -1.26 -4.91 117.46 113.08 2vjx n PHE 776 Ca -0.17 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.16 2vjx n PHE 776 Cb 0.53 -0.08 -0.10 0.00 -0.94 0.00 0.00 39.48 38.89 2vjx n PHE 776 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2vjx s ARG 777 N -2.51 0.60 0.54 -1.08 1.81 -1.26 -4.99 118.95 112.06 2vjx s ARG 777 Ca 0.22 -1.16 -0.22 0.00 -1.72 0.00 0.00 55.73 52.85 2vjx s ARG 777 Cb 0.19 0.21 -0.05 0.00 -0.45 0.00 0.00 34.95 34.85 2vjx s ARG 777 CO 0.54 -0.11 1.34 0.15 -0.68 0.00 0.00 175.30 176.54 2vjx s LYS 778 N -3.74 3.18 0.26 3.54 1.02 -1.26 -4.84 119.74 117.90 2vjx s LYS 778 Ca 0.05 2.18 -0.02 0.00 0.02 0.00 0.00 55.97 58.21 2vjx s LYS 778 Cb 0.07 -2.25 0.51 0.00 -0.52 0.00 0.00 37.83 35.64 2vjx s LYS 778 CO -0.09 -1.14 1.77 1.15 -0.92 0.00 0.00 175.35 176.11 2vjx h THR 779 N 1.45 0.75 0.00 2.17 2.02 -1.93 0.99 112.91 118.35 2vjx h THR 779 Ca -0.51 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 2vjx h THR 779 Cb 1.30 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2vjx h THR 779 CO 0.57 0.12 -0.02 0.07 0.37 0.00 0.00 175.52 176.63 2vjx h LYS 780 N 0.64 0.00 -0.01 6.66 2.10 -1.46 -1.70 116.57 122.81 2vjx h LYS 780 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 2vjx h LYS 780 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 2vjx h LYS 780 CO -0.35 0.02 -0.50 -0.25 -2.00 0.00 0.00 179.45 176.37 2vjx n ASP 781 N -3.30 1.09 -4.76 7.07 8.00 0.31 -4.87 116.55 120.10 2vjx n ASP 781 Ca -0.02 -0.87 -0.41 0.00 0.71 0.00 0.00 54.79 54.20 2vjx n ASP 781 Cb 0.14 0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 2vjx n ASP 781 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2vjx s LEU 782 N -2.72 4.49 -1.23 0.64 1.43 -0.64 -4.80 118.68 115.85 2vjx s LEU 782 Ca 0.17 2.44 -0.09 0.00 -1.03 0.00 0.00 54.13 55.62 2vjx s LEU 782 Cb 0.18 -3.63 0.20 0.00 0.03 0.00 0.00 46.19 42.96 2vjx s LEU 782 CO 0.64 -0.33 1.72 0.00 0.23 0.00 0.00 176.35 178.61 2vjx n GLN 783 N 1.19 3.73 -2.25 1.70 6.02 -0.04 -5.00 117.38 122.73 2vjx n GLN 783 Ca -0.00 -3.78 -0.42 0.00 -0.01 0.00 0.00 57.00 52.79 2vjx n GLN 783 Cb 0.43 -2.86 -0.03 0.00 1.02 0.00 0.00 30.24 28.81 2vjx n GLN 783 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2vjx s LEU 784 N -0.39 4.39 0.26 1.08 1.43 -1.26 -4.87 118.68 119.32 2vjx s LEU 784 Ca 0.38 2.28 -0.29 0.00 -1.03 0.00 0.00 54.13 55.47 2vjx s LEU 784 Cb 0.06 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.60 2vjx s LEU 784 CO 0.02 -0.56 0.94 -2.16 0.23 0.00 0.00 176.35 174.82 2vjx s PRO 785 N 0.64 4.79 0.29 1.29 0.04 -1.26 -5.02 135.00 135.77 2vjx s PRO 785 Ca 0.60 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 2vjx s PRO 785 Cb -0.35 -3.17 -0.12 0.00 0.04 0.00 0.00 34.50 30.90 2vjx s PRO 785 CO 0.33 0.46 1.51 -2.30 0.04 0.00 0.00 177.00 177.03 2vjx n PRO 786 N 1.28 2.47 -3.48 0.56 -0.02 -1.26 -4.95 135.00 129.60 2vjx n PRO 786 Ca -0.01 0.88 -0.15 0.00 -2.02 0.00 0.00 63.50 62.20 2vjx n PRO 786 Cb 0.48 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 2vjx n PRO 786 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2vjx s THR 787 N -0.25 0.00 -0.16 3.45 -1.32 -1.26 -5.01 115.64 111.09 2vjx s THR 787 Ca 0.63 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.09 2vjx s THR 787 Cb -0.54 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.43 2vjx s THR 787 CO 0.52 0.00 -0.07 -0.55 -2.21 0.00 0.00 174.62 172.31 2vjx s SER 788 N -1.93 4.42 -0.41 8.08 0.15 -1.26 -4.97 113.70 117.77 2vjx s SER 788 Ca -0.05 -0.25 -0.19 0.00 0.70 0.00 0.00 55.95 56.16 2vjx s SER 788 Cb -0.00 -1.71 0.02 0.00 -1.71 0.00 0.00 66.02 62.61 2vjx s SER 788 CO -0.01 0.13 0.55 -0.69 1.20 0.00 0.00 173.24 174.42 2vjx s VAL 789 N 0.56 4.95 0.25 4.45 1.01 -1.26 -4.49 120.40 125.88 2vjx s VAL 789 Ca -0.05 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 2vjx s VAL 789 Cb -0.15 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 2vjx s VAL 789 CO 0.03 -0.45 0.52 -0.94 0.00 0.00 0.00 175.10 174.26 2vjx s SER 790 N 1.88 6.49 0.03 3.32 1.04 -0.17 -4.91 113.70 121.38 2vjx s SER 790 Ca 0.18 0.72 -0.03 0.00 0.48 0.00 0.00 55.95 57.31 2vjx s SER 790 Cb -0.15 -2.15 -0.02 0.00 0.10 0.00 0.00 66.02 63.80 2vjx s SER 790 CO 0.16 -0.12 0.03 -0.72 0.98 0.00 0.00 173.24 173.57 2vjx s TYR 791 N -1.95 0.25 0.05 5.02 -0.85 -1.26 -0.77 117.35 117.84 2vjx s TYR 791 Ca 0.44 -0.54 0.04 0.00 -0.52 0.00 0.00 57.07 56.49 2vjx s TYR 791 Cb -0.11 -0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.01 2vjx s TYR 791 CO 0.27 -0.29 -0.04 -0.65 -1.52 0.00 0.00 175.55 173.33 2vjx s GLN 792 N -2.16 2.53 -0.01 -3.49 -0.21 -0.08 -4.95 119.66 111.29 2vjx s GLN 792 Ca -0.09 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 54.52 2vjx s GLN 792 Cb -0.04 -2.52 0.00 0.00 1.00 0.00 0.00 33.01 31.45 2vjx s GLN 792 CO -0.03 0.57 -0.06 1.41 -2.12 0.00 0.00 175.29 175.07 2vjx s MET 793 N -1.85 0.54 -0.25 2.91 1.75 -1.26 -0.78 119.30 120.36 2vjx s MET 793 Ca 0.21 -0.19 0.02 0.00 -1.25 0.00 0.00 55.69 54.48 2vjx s MET 793 Cb -0.11 -0.53 0.06 0.00 2.84 0.00 0.00 34.83 37.08 2vjx s MET 793 CO 0.12 0.09 -0.10 -1.59 -0.65 0.00 0.00 175.02 172.90 2vjx s LYS 794 N 0.07 2.08 -0.12 4.11 0.00 0.21 -4.98 119.74 121.10 2vjx s LYS 794 Ca -0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 55.97 54.74 2vjx s LYS 794 Cb -0.05 -2.77 -0.03 0.00 0.00 0.00 0.00 37.83 34.99 2vjx s LYS 794 CO -0.00 -0.56 -0.07 -1.14 0.00 0.00 0.00 175.35 173.58 2vjx s GLN 795 N 1.21 3.35 0.30 1.78 0.74 -1.26 -1.36 119.66 124.41 2vjx s GLN 795 Ca -0.07 -0.56 0.03 0.00 0.05 0.00 0.00 55.36 54.81 2vjx s GLN 795 Cb -0.19 -2.76 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 2vjx s GLN 795 CO -0.06 0.36 0.16 0.95 -0.55 0.00 0.00 175.29 176.15 2vjx s THR 796 N 0.01 0.34 0.15 -0.34 -4.23 0.09 -4.75 115.64 106.91 2vjx s THR 796 Ca -0.01 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.18 2vjx s THR 796 Cb -0.14 -2.52 -0.12 0.00 1.34 0.00 0.00 72.50 71.06 2vjx s THR 796 CO 0.03 0.00 1.71 0.47 -0.54 0.00 0.00 174.62 176.30 2vjx n ASP 797 N -0.90 3.65 0.00 3.99 8.00 -1.26 -2.14 116.55 127.89 2vjx n ASP 797 Ca 0.01 1.04 0.00 0.00 0.71 0.00 0.00 54.79 56.55 2vjx n ASP 797 Cb 0.65 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 2vjx n ASP 797 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vjx n GLY 798 N 3.88 1.58 3.42 0.44 0.00 0.18 -4.93 105.19 109.75 2vjx n GLY 798 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 2vjx n GLY 798 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vjx s LYS 799 N -0.11 0.60 -0.15 1.61 2.20 -0.91 -2.36 119.74 120.62 2vjx s LYS 799 Ca 0.00 0.75 -0.03 0.00 -0.36 0.00 0.00 55.97 56.33 2vjx s LYS 799 Cb 0.00 0.26 0.05 0.00 -1.51 0.00 0.00 37.83 36.63 2vjx s LYS 799 CO 0.00 -0.08 0.04 0.00 -0.36 0.00 0.00 175.35 174.95 2vjx s GLU 801 N 1.98 3.96 -0.01 0.00 2.02 -0.46 -0.57 118.70 125.62 2vjx s GLU 801 Ca 0.02 -0.29 0.03 0.00 0.02 0.00 0.00 54.97 54.74 2vjx s GLU 801 Cb -0.15 -3.66 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 2vjx s GLU 801 CO -0.07 -0.18 -0.06 -0.51 0.02 0.00 0.00 175.26 174.46 2vjx s LEU 802 N 1.77 3.21 -0.19 1.80 1.02 0.69 -0.62 118.68 126.35 2vjx s LEU 802 Ca 0.08 -0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.12 2vjx s LEU 802 Cb -0.16 -1.82 0.02 0.00 0.02 0.00 0.00 46.19 44.26 2vjx s LEU 802 CO 0.11 0.29 -0.19 -0.89 0.02 0.00 0.00 176.35 175.69 2vjx s THR 803 N -0.98 2.09 0.06 5.49 2.01 0.04 -0.96 115.64 123.40 2vjx s THR 803 Ca 0.17 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.20 2vjx s THR 803 Cb -0.11 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 2vjx s THR 803 CO 0.07 0.50 0.12 -0.76 -0.69 0.00 0.00 174.62 173.86 2vjx s LEU 804 N 1.28 3.99 -0.14 4.42 1.02 0.16 -0.90 118.68 128.51 2vjx s LEU 804 Ca 0.04 0.09 -0.11 0.00 0.02 0.00 0.00 54.13 54.18 2vjx s LEU 804 Cb -0.13 -2.61 0.04 0.00 0.02 0.00 0.00 46.19 43.51 2vjx s LEU 804 CO -0.12 0.18 0.35 0.12 0.02 0.00 0.00 176.35 176.90 2vjx s PHE 805 N -1.41 -0.43 -0.07 0.29 5.36 0.05 -2.17 117.98 119.61 2vjx s PHE 805 Ca 0.30 1.01 -0.03 0.00 -0.96 0.00 0.00 56.93 57.25 2vjx s PHE 805 Cb -0.12 0.15 0.04 0.00 -0.34 0.00 0.00 43.02 42.75 2vjx s PHE 805 CO 0.23 -0.23 0.15 0.45 -1.46 0.00 0.00 175.22 174.36 2vjx s SER 806 N 0.62 -0.04 0.55 6.13 0.15 -1.26 -1.00 113.70 118.86 2vjx s SER 806 Ca -0.04 0.31 0.32 0.00 0.70 0.00 0.00 55.95 57.25 2vjx s SER 806 Cb -0.05 0.20 1.61 0.00 -1.71 0.00 0.00 66.02 66.07 2vjx s SER 806 CO -0.04 -0.16 2.10 0.77 1.20 0.00 0.00 173.24 177.12 2vjx h SER 807 N 7.35 0.00 -2.21 5.45 4.64 -1.91 0.79 113.55 127.66 2vjx h SER 807 Ca -0.40 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.32 2vjx h SER 807 Cb 1.14 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.10 2vjx h SER 807 CO 0.40 0.07 -0.73 -0.04 -0.87 0.00 0.00 176.83 175.66 2vjx s MET 808 N -4.05 1.83 0.08 4.77 -1.94 -1.26 -3.53 119.30 115.21 2vjx s MET 808 Ca -0.02 -1.68 -0.36 0.00 -1.71 0.00 0.00 55.69 51.91 2vjx s MET 808 Cb 0.12 -1.87 -0.16 0.00 2.01 0.00 0.00 34.83 34.94 2vjx s MET 808 CO 0.54 0.34 1.46 -0.11 -0.01 0.00 0.00 175.02 177.24 2vjx n LEU 809 N -0.69 2.22 -4.27 -0.03 7.94 -0.17 -4.31 117.00 117.68 2vjx n LEU 809 Ca -0.05 1.10 -0.34 0.00 -1.11 0.00 0.00 56.01 55.60 2vjx n LEU 809 Cb 0.60 -1.27 -0.15 0.00 0.53 0.00 0.00 43.42 43.13 2vjx n LEU 809 CO 0.39 -0.73 -0.44 0.00 -1.11 0.00 0.00 177.39 175.50 2vjx s ALA 810 N 0.96 2.65 -0.06 1.96 0.00 -0.63 -4.74 121.76 121.90 2vjx s ALA 810 Ca 0.84 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 51.45 2vjx s ALA 810 Cb -0.87 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 2vjx s ALA 810 CO 0.45 -0.30 0.62 0.21 0.00 0.00 0.00 175.76 176.74 2vjx s LYS 811 N 1.25 4.38 -1.23 0.00 2.47 -1.26 -0.98 119.74 124.37 2vjx s LYS 811 Ca 0.03 0.73 -0.13 0.00 -1.56 0.00 0.00 55.97 55.04 2vjx s LYS 811 Cb -0.14 -3.41 -0.00 0.00 -1.46 0.00 0.00 37.83 32.81 2vjx s LYS 811 CO -0.04 0.18 0.67 -0.25 0.16 0.00 0.00 175.35 176.07 2vjx n ASP 812 N 3.42 -3.47 -4.77 1.43 8.00 -1.23 -2.35 116.55 117.58 2vjx n ASP 812 Ca -0.04 -1.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.06 2vjx n ASP 812 Cb 0.51 -3.30 -0.04 0.00 -0.02 0.00 0.00 41.12 38.27 2vjx n ASP 812 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2vjx s ILE 813 N -3.63 3.43 -0.21 0.53 -4.36 0.69 -4.60 121.20 113.04 2vjx s ILE 813 Ca 0.30 1.32 0.00 0.00 -0.26 0.00 0.00 60.65 62.01 2vjx s ILE 813 Cb -0.11 -3.79 0.02 0.00 1.25 0.00 0.00 42.46 39.83 2vjx s ILE 813 CO 0.87 0.23 -0.14 0.12 0.24 0.00 0.00 174.94 176.26 2vjx s PHE 814 N -1.31 2.93 -0.53 1.37 5.36 0.03 -0.97 117.98 124.86 2vjx s PHE 814 Ca 0.50 -1.62 -0.20 0.00 -0.96 0.00 0.00 56.93 54.64 2vjx s PHE 814 Cb -0.30 -1.98 0.06 0.00 -0.34 0.00 0.00 43.02 40.46 2vjx s PHE 814 CO 0.39 -0.77 0.71 0.42 -1.46 0.00 0.00 175.22 174.51 2vjx s ILE 815 N 1.30 4.75 -0.21 3.12 1.01 -1.26 -0.45 121.20 129.45 2vjx s ILE 815 Ca 0.02 -0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 2vjx s ILE 815 Cb -0.15 -4.38 -0.05 0.00 0.01 0.00 0.00 42.46 37.89 2vjx s ILE 815 CO -0.09 -0.93 0.12 -0.70 0.00 0.00 0.00 174.94 173.34 2vjx s GLU 816 N 2.96 4.07 0.14 2.79 2.12 0.43 -4.95 118.70 126.26 2vjx s GLU 816 Ca 0.18 -0.28 0.07 0.00 0.36 0.00 0.00 54.97 55.30 2vjx s GLU 816 Cb -0.18 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 2vjx s GLU 816 CO 0.13 0.19 -0.17 0.95 -0.54 0.00 0.00 175.26 175.82 2vjx s THR 817 N 0.65 1.58 -1.27 -1.70 -4.23 -1.26 -1.08 115.64 108.33 2vjx s THR 817 Ca 0.06 -1.78 0.28 0.00 -1.18 0.00 0.00 61.69 59.07 2vjx s THR 817 Cb -0.12 -1.67 0.30 0.00 1.34 0.00 0.00 72.50 72.35 2vjx s THR 817 CO 0.01 -0.34 1.82 -0.81 -0.54 0.00 0.00 174.62 174.77 2vjx n PRO 818 N 0.49 0.28 -2.55 3.99 -0.04 -1.26 -4.83 135.00 131.08 2vjx n PRO 818 Ca -0.15 -0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 62.80 2vjx n PRO 818 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 2vjx n PRO 818 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2vjx s LEU 819 N -2.77 4.01 0.26 1.53 1.43 -1.26 -4.98 118.68 116.91 2vjx s LEU 819 Ca 0.20 1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 54.30 2vjx s LEU 819 Cb 0.19 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.76 2vjx s LEU 819 CO 0.54 -0.85 1.55 -1.10 0.23 0.00 0.00 176.35 176.72 2vjx s GLN 820 N 3.62 4.17 -1.03 1.70 -1.52 -1.26 -2.77 119.66 122.56 2vjx s GLN 820 Ca 0.49 2.48 0.00 0.00 -1.95 0.00 0.00 55.36 56.38 2vjx s GLN 820 Cb -0.16 -3.06 0.00 0.00 -0.22 0.00 0.00 33.01 29.57 2vjx s GLN 820 CO 0.14 -0.57 0.00 0.41 -0.25 0.00 0.00 175.29 175.02 2vjx n GLY 821 N 2.41 1.05 3.75 3.09 0.00 -1.25 -4.99 105.19 109.24 2vjx n GLY 821 Ca 0.09 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2vjx n GLY 821 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vjx n ALA 822 N 1.18 2.02 -2.70 4.61 0.00 -1.12 -4.91 120.51 119.59 2vjx n ALA 822 Ca -0.10 0.35 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 2vjx n ALA 822 Cb 0.44 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 17.44 2vjx n ALA 822 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2vjx s ARG 823 N -1.94 2.84 0.04 0.00 0.52 -0.17 -4.83 118.95 115.40 2vjx s ARG 823 Ca 0.55 -0.58 0.08 0.00 -0.52 0.00 0.00 55.73 55.26 2vjx s ARG 823 Cb -0.51 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.23 2vjx s ARG 823 CO 0.63 0.63 -0.23 0.71 0.02 0.00 0.00 175.30 177.06 2vjx s TYR 824 N -1.09 1.99 0.30 -0.53 2.02 -1.26 -0.48 117.35 118.30 2vjx s TYR 824 Ca 0.20 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2vjx s TYR 824 Cb -0.12 -1.20 0.48 0.00 -0.40 0.00 0.00 41.96 40.73 2vjx s TYR 824 CO 0.10 0.09 1.80 0.66 -1.57 0.00 0.00 175.55 176.63 2vjx h SER 825 N 4.92 0.54 -5.01 2.29 4.64 -1.59 -3.45 113.55 115.88 2vjx h SER 825 Ca -0.43 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 60.72 2vjx h SER 825 Cb 1.15 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 62.96 2vjx h SER 825 CO 0.44 0.67 0.16 -0.62 -0.87 0.00 0.00 176.83 176.61 2vjx s ASP 826 N -6.75 -0.54 0.15 4.97 -1.08 -1.26 -5.02 116.67 107.15 2vjx s ASP 826 Ca -0.08 0.11 -0.25 0.00 -0.52 0.00 0.00 52.55 51.82 2vjx s ASP 826 Cb 0.15 0.56 0.06 0.00 -1.46 0.00 0.00 42.92 42.23 2vjx s ASP 826 CO 0.78 -0.87 0.84 0.21 0.52 0.00 0.00 175.17 176.65 2vjx s ASN 827 N -2.39 -0.29 -1.22 -0.34 3.84 -1.26 -4.93 114.94 108.34 2vjx s ASN 827 Ca -0.02 -0.31 -0.11 0.00 0.21 0.00 0.00 52.86 52.64 2vjx s ASN 827 Cb -0.01 0.54 -0.01 0.00 -0.55 0.00 0.00 41.25 41.22 2vjx s ASN 827 CO -0.08 -0.95 0.72 0.49 -2.79 0.00 0.00 177.10 174.49 2vjx n PHE 828 N -0.41 -1.91 -4.37 0.43 3.72 -0.14 -4.93 117.46 109.85 2vjx n PHE 828 Ca -0.08 0.63 -0.19 0.00 -0.05 0.00 0.00 57.45 57.77 2vjx n PHE 828 Cb 0.61 -3.79 -0.10 0.00 -0.94 0.00 0.00 39.48 35.26 2vjx n PHE 828 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 2vjx s PHE 829 N -3.60 1.73 -0.05 1.38 -0.12 -1.14 -4.77 117.98 111.41 2vjx s PHE 829 Ca 0.27 -0.76 -0.24 0.00 -0.05 0.00 0.00 56.93 56.16 2vjx s PHE 829 Cb -0.09 -0.96 -0.04 0.00 -0.63 0.00 0.00 43.02 41.31 2vjx s PHE 829 CO 0.84 0.17 0.73 -0.51 -0.05 0.00 0.00 175.22 176.41 2vjx s ASP 830 N -3.36 7.04 -0.37 1.98 1.01 -1.26 -0.22 116.67 121.49 2vjx s ASP 830 Ca 0.27 1.25 -0.21 0.00 0.71 0.00 0.00 52.55 54.58 2vjx s ASP 830 Cb 0.04 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.54 2vjx s ASP 830 CO 0.09 -0.12 0.66 -0.22 0.21 0.00 0.00 175.17 175.79 2vjx s LEU 831 N 0.74 4.28 0.39 1.23 2.96 -0.15 -4.95 118.68 123.17 2vjx s LEU 831 Ca 0.39 0.09 -0.23 0.00 -0.22 0.00 0.00 54.13 54.16 2vjx s LEU 831 Cb -0.18 -2.81 -0.11 0.00 0.50 0.00 0.00 46.19 43.60 2vjx s LEU 831 CO 0.19 -0.65 0.94 -0.76 -1.32 0.00 0.00 176.35 174.76 2vjx s LEU 832 N 2.79 4.09 0.15 -0.68 1.43 -1.26 -1.60 118.68 123.59 2vjx s LEU 832 Ca 0.25 1.72 -0.32 0.00 -1.03 0.00 0.00 54.13 54.76 2vjx s LEU 832 Cb -0.14 -4.33 -0.11 0.00 0.03 0.00 0.00 46.19 41.64 2vjx s LEU 832 CO 0.16 -0.25 1.79 -0.81 0.23 0.00 0.00 176.35 177.47 2vjx n PRO 833 N -0.19 2.72 -1.03 1.29 -0.04 -1.26 -1.80 135.00 134.69 2vjx n PRO 833 Ca 0.05 0.99 -0.01 0.00 -0.04 0.00 0.00 63.50 64.49 2vjx n PRO 833 Cb 0.53 -2.86 -0.00 0.00 -0.04 0.00 0.00 33.50 31.13 2vjx n PRO 833 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2vjx n GLY 834 N 4.09 0.32 3.20 0.55 0.00 0.27 -4.73 105.19 108.89 2vjx n GLY 834 Ca 0.17 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2vjx n GLY 834 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vjx s GLU 835 N -1.24 2.38 0.55 1.61 2.02 -0.74 -5.02 118.70 118.26 2vjx s GLU 835 Ca 0.00 -1.55 -0.21 0.00 0.02 0.00 0.00 54.97 53.23 2vjx s GLU 835 Cb 0.00 -3.62 -0.05 0.00 0.10 0.00 0.00 34.13 30.56 2vjx s GLU 835 CO 0.00 -0.94 1.32 -0.98 0.02 0.00 0.00 175.26 174.68 2vjx s ARG 836 N 1.30 3.13 -0.05 1.61 1.04 -1.26 -4.52 118.95 120.20 2vjx s ARG 836 Ca 0.03 2.15 -0.00 0.00 -1.04 0.00 0.00 55.73 56.86 2vjx s ARG 836 Cb -0.22 -2.21 0.03 0.00 -2.04 0.00 0.00 34.95 30.50 2vjx s ARG 836 CO -0.01 -1.17 -0.01 0.21 -0.04 0.00 0.00 175.30 174.29 2vjx s LYS 837 N -2.96 0.55 -0.01 3.89 2.47 -0.92 -4.97 119.74 117.78 2vjx s LYS 837 Ca 0.72 0.07 -0.19 0.00 -1.56 0.00 0.00 55.97 55.00 2vjx s LYS 837 Cb -0.38 -0.80 -0.05 0.00 -1.46 0.00 0.00 37.83 35.14 2vjx s LYS 837 CO 0.45 -0.21 0.55 0.21 0.16 0.00 0.00 175.35 176.51 2vjx s LYS 838 N 1.50 4.26 -0.04 4.03 2.20 -1.26 -0.66 119.74 129.77 2vjx s LYS 838 Ca -0.02 0.66 -0.00 0.00 -0.36 0.00 0.00 55.97 56.24 2vjx s LYS 838 Cb -0.13 -3.33 0.03 0.00 -1.51 0.00 0.00 37.83 32.89 2vjx s LYS 838 CO -0.03 0.41 -0.00 0.08 -0.36 0.00 0.00 175.35 175.45 2vjx s VAL 839 N -0.29 0.26 -0.16 4.02 1.01 -0.13 -4.91 120.40 120.20 2vjx s VAL 839 Ca 0.29 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 2vjx s VAL 839 Cb -0.18 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2vjx s VAL 839 CO 0.16 0.20 0.09 -0.63 0.00 0.00 0.00 175.10 174.91 2vjx s ILE 840 N 1.40 5.02 -0.08 2.22 1.01 -1.26 -0.23 121.20 129.28 2vjx s ILE 840 Ca -0.04 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.68 2vjx s ILE 840 Cb -0.13 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 2vjx s ILE 840 CO -0.03 0.51 -0.19 -0.63 0.00 0.00 0.00 174.94 174.61 2vjx s ILE 841 N -0.09 2.59 0.07 2.92 1.01 0.26 -1.37 121.20 126.59 2vjx s ILE 841 Ca 0.08 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.94 2vjx s ILE 841 Cb -0.12 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 2vjx s ILE 841 CO 0.01 0.56 -0.20 0.42 0.00 0.00 0.00 174.94 175.73 2vjx s THR 842 N -0.06 1.60 -0.28 2.92 -4.23 0.37 -0.77 115.64 115.18 2vjx s THR 842 Ca -0.05 -1.32 -0.25 0.00 -1.18 0.00 0.00 61.69 58.89 2vjx s THR 842 Cb -0.14 -1.43 0.14 0.00 1.34 0.00 0.00 72.50 72.41 2vjx s THR 842 CO 0.04 0.06 1.13 -0.55 -0.54 0.00 0.00 174.62 174.76 2vjx s SER 843 N -1.49 -0.36 0.47 3.99 0.15 -0.99 -1.00 113.70 114.46 2vjx s SER 843 Ca 0.06 0.69 0.32 0.00 0.70 0.00 0.00 55.95 57.71 2vjx s SER 843 Cb -0.09 0.70 1.66 0.00 -1.71 0.00 0.00 66.02 66.58 2vjx s SER 843 CO 0.03 -0.12 1.97 -0.65 1.20 0.00 0.00 173.24 175.66 2vjx h PRO 844 N 3.94 0.00 -0.01 5.44 0.11 -1.97 -1.96 132.00 137.56 2vjx h PRO 844 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2vjx h PRO 844 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2vjx h PRO 844 CO 0.12 0.00 -0.14 0.54 -0.21 0.00 0.00 178.00 178.32 2vjx n ARG 845 N -2.63 1.10 -2.39 1.05 3.00 -1.26 -4.72 116.66 110.81 2vjx n ARG 845 Ca -0.02 -0.60 -0.43 0.00 -0.01 0.00 0.00 57.85 56.80 2vjx n ARG 845 Cb 0.08 -1.49 -0.02 0.00 0.00 0.00 0.00 32.46 31.03 2vjx n ARG 845 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2vjx s ILE 846 N -2.31 4.22 -0.12 0.55 1.01 -0.74 -4.95 121.20 118.86 2vjx s ILE 846 Ca 0.30 1.48 0.01 0.00 0.00 0.00 0.00 60.65 62.44 2vjx s ILE 846 Cb 0.20 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2vjx s ILE 846 CO 0.45 -0.12 -0.14 -0.54 0.00 0.00 0.00 174.94 174.58 2vjx s LYS 847 N 3.45 3.23 0.21 2.79 3.01 -1.26 0.47 119.74 131.64 2vjx s LYS 847 Ca 0.56 -0.70 -0.32 0.00 -1.01 0.00 0.00 55.97 54.50 2vjx s LYS 847 Cb -0.23 -2.57 -0.13 0.00 -1.01 0.00 0.00 37.83 33.89 2vjx s LYS 847 CO 0.16 0.27 1.63 1.17 0.51 0.00 0.00 175.35 179.10 2vjx n LYS 848 N 3.34 2.52 -0.62 1.68 4.81 -1.26 -1.77 118.16 126.86 2vjx n LYS 848 Ca -0.18 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2vjx n LYS 848 Cb 0.53 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.87 2vjx n LYS 848 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vjx n GLY 849 N 3.36 0.75 2.77 3.14 0.00 -1.26 -4.94 105.19 109.02 2vjx n GLY 849 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2vjx n GLY 849 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vjx s GLU 850 N -0.38 1.86 -0.14 1.61 2.02 -0.73 -5.11 118.70 117.83 2vjx s GLU 850 Ca 0.00 -2.75 -0.40 0.00 0.02 0.00 0.00 54.97 51.84 2vjx s GLU 850 Cb 0.00 -2.80 -0.18 0.00 0.10 0.00 0.00 34.13 31.26 2vjx s GLU 850 CO 0.00 -1.26 1.46 -1.91 0.02 0.00 0.00 175.26 173.57 2vjx n GLU 851 N 2.60 0.73 -2.09 1.61 2.13 -1.26 -4.58 120.64 119.78 2vjx n GLU 851 Ca 0.18 0.26 -0.42 0.00 0.66 0.00 0.00 57.16 57.84 2vjx n GLU 851 Cb 0.37 -1.87 -0.03 0.00 0.27 0.00 0.00 31.44 30.19 2vjx n GLU 851 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2vjx s LEU 852 N 1.77 4.30 0.20 4.31 2.96 -1.26 -4.97 118.68 125.99 2vjx s LEU 852 Ca 0.94 2.14 -0.31 0.00 -0.22 0.00 0.00 54.13 56.67 2vjx s LEU 852 Cb -1.15 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 41.90 2vjx s LEU 852 CO 0.61 -0.89 1.59 -2.84 -1.32 0.00 0.00 176.35 173.49 2vjx s PRO 853 N 3.90 4.19 -0.05 0.98 0.02 -1.26 -5.00 135.00 137.78 2vjx s PRO 853 Ca 0.70 2.42 0.01 0.00 0.02 0.00 0.00 61.00 64.16 2vjx s PRO 853 Cb -0.31 -3.12 0.02 0.00 0.02 0.00 0.00 34.50 31.11 2vjx s PRO 853 CO 0.27 -0.62 -0.06 0.08 -0.33 0.00 0.00 177.00 176.34 2vjx s VAL 854 N 0.90 0.65 -0.16 3.83 1.01 -1.26 -4.30 120.40 121.08 2vjx s VAL 854 Ca 0.69 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2vjx s VAL 854 Cb -0.45 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.31 2vjx s VAL 854 CO 0.34 0.25 -0.09 0.21 0.00 0.00 0.00 175.10 175.81 2vjx s ASN 855 N 0.83 2.81 -0.27 3.32 2.47 -0.24 -4.99 114.94 118.87 2vjx s ASN 855 Ca -0.12 -0.61 -0.10 0.00 0.42 0.00 0.00 52.86 52.45 2vjx s ASN 855 Cb -0.15 -1.03 -0.04 0.00 -1.45 0.00 0.00 41.25 38.57 2vjx s ASN 855 CO 0.01 -0.13 0.15 -0.63 -3.72 0.00 0.00 177.10 172.78 2vjx s ILE 856 N 1.56 5.06 0.15 -5.21 1.01 -1.26 -0.42 121.20 122.08 2vjx s ILE 856 Ca 0.02 0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.82 2vjx s ILE 856 Cb -0.14 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 2vjx s ILE 856 CO -0.09 0.29 0.00 -0.54 0.00 0.00 0.00 174.94 174.60 2vjx s LYS 857 N 1.62 2.45 0.17 2.79 1.02 0.40 -4.95 119.74 123.25 2vjx s LYS 857 Ca 0.07 -1.02 -0.18 0.00 0.02 0.00 0.00 55.97 54.85 2vjx s LYS 857 Cb -0.15 -2.42 0.04 0.00 -0.52 0.00 0.00 37.83 34.78 2vjx s LYS 857 CO 0.08 0.48 0.51 -3.38 -0.92 0.00 0.00 175.35 172.12 2vjx s HIS 858 N -1.60 -0.25 0.20 3.18 -3.43 -1.26 -0.79 115.29 111.34 2vjx s HIS 858 Ca 0.27 -0.06 -0.11 0.00 -0.80 0.00 0.00 55.06 54.36 2vjx s HIS 858 Cb -0.10 0.40 0.13 0.00 -1.43 0.00 0.00 32.58 31.58 2vjx s HIS 858 CO 0.18 -0.84 1.86 0.82 -2.00 0.00 0.00 174.74 174.76 2vjx h ILE 859 N 2.19 1.19 0.00 -5.38 1.08 -1.72 -2.10 117.51 112.77 2vjx h ILE 859 Ca -0.31 -0.38 -0.05 0.00 -0.39 0.00 0.00 64.86 63.73 2vjx h ILE 859 Cb 1.27 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 2vjx h ILE 859 CO 0.40 0.19 -0.22 -0.09 -0.69 0.00 0.00 178.15 177.74 2vjx h ARG 860 N 0.96 0.00 0.00 2.37 9.65 -1.93 -0.64 114.38 124.79 2vjx h ARG 860 Ca 0.26 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.14 2vjx h ARG 860 Cb -0.07 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.51 2vjx h ARG 860 CO -0.05 0.22 -0.00 0.93 2.80 0.00 0.00 179.97 183.86 2vjx h GLU 861 N 0.00 0.00 -0.00 0.20 5.08 -1.75 -3.18 114.58 114.93 2vjx h GLU 861 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2vjx h GLU 861 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2vjx h GLU 861 CO 0.03 0.00 -0.03 0.25 -1.00 0.00 0.00 179.01 178.26 2vjx n THR 862 N -3.09 0.00 -3.93 1.13 -2.24 -0.25 -4.85 114.28 101.05 2vjx n THR 862 Ca -0.02 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 2vjx n THR 862 Cb 0.16 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 2vjx n THR 862 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2vjx s TYR 863 N -2.50 0.32 -2.73 4.78 1.13 -1.20 -4.38 117.35 112.77 2vjx s TYR 863 Ca 0.30 -0.68 0.26 0.00 -1.41 0.00 0.00 57.07 55.55 2vjx s TYR 863 Cb 0.20 0.03 0.65 0.00 -1.10 0.00 0.00 41.96 41.74 2vjx s TYR 863 CO 0.46 -0.77 1.52 1.63 -2.51 0.00 0.00 175.55 175.88