#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ajx s VAL 2 N 0.00 4.41 -0.06 2.62 1.01 -1.26 -4.05 120.40 123.08 2ajx s VAL 2 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2ajx s VAL 2 Cb 0.00 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.51 2ajx s VAL 2 CO 0.00 0.56 0.14 -0.54 0.00 0.00 0.00 175.10 175.26 2ajx s LYS 3 N -0.43 0.13 0.04 2.72 1.02 -0.55 -4.91 119.74 117.75 2ajx s LYS 3 Ca 0.08 0.27 0.09 0.00 0.02 0.00 0.00 55.97 56.42 2ajx s LYS 3 Cb -0.12 -0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.13 2ajx s LYS 3 CO 0.02 -0.08 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.61 2ajx s LEU 4 N 0.56 2.15 -0.09 3.17 1.02 -1.26 -1.42 118.68 122.81 2ajx s LEU 4 Ca -0.04 -0.55 -0.04 0.00 0.02 0.00 0.00 54.13 53.52 2ajx s LEU 4 Cb -0.06 -1.21 0.05 0.00 0.02 0.00 0.00 46.19 44.99 2ajx s LEU 4 CO -0.03 0.24 0.19 -0.55 0.02 0.00 0.00 176.35 176.23 2ajx s SER 5 N -1.13 0.09 0.29 2.29 0.15 -0.87 -4.23 113.70 110.29 2ajx s SER 5 Ca 0.10 0.41 -0.05 0.00 0.70 0.00 0.00 55.95 57.11 2ajx s SER 5 Cb -0.10 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 64.49 2ajx s SER 5 CO 0.02 -0.19 0.57 -1.61 1.20 0.00 0.00 173.24 173.22 2ajx s GLU 6 N 1.60 3.65 0.03 5.44 8.01 -1.26 -0.59 118.70 135.59 2ajx s GLU 6 Ca -0.05 0.04 -0.28 0.00 0.01 0.00 0.00 54.97 54.70 2ajx s GLU 6 Cb -0.11 -2.63 0.07 0.00 -4.31 0.00 0.00 34.13 27.15 2ajx s GLU 6 CO -0.07 0.20 0.66 -1.54 0.01 0.00 0.00 175.26 174.53 2ajx s SER 7 N -3.13 -0.61 0.00 -0.19 1.04 -0.17 -4.87 113.70 105.78 2ajx s SER 7 Ca 0.44 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.28 2ajx s SER 7 Cb -0.11 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2ajx s SER 7 CO 0.30 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2ajx n GLY 8 N 0.35 2.31 3.70 7.32 0.00 -1.26 -0.97 105.19 116.64 2ajx n GLY 8 Ca -0.18 -1.53 -0.44 0.00 0.00 0.00 0.00 46.02 43.88 2ajx n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ajx n PRO 9 N -1.61 2.24 -0.04 1.61 -0.02 -1.26 -4.91 135.00 131.01 2ajx n PRO 9 Ca 0.00 0.80 0.12 0.00 -2.02 0.00 0.00 63.50 62.40 2ajx n PRO 9 Cb 0.00 -2.48 0.34 0.00 -0.02 0.00 0.00 33.50 31.34 2ajx n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ajx n GLY 10 N 1.93 0.55 2.77 -1.23 0.00 -1.26 -4.77 105.19 103.18 2ajx n GLY 10 Ca 0.10 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 2ajx n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ajx s LEU 11 N -1.85 0.84 -0.03 0.99 2.96 -1.26 -0.87 118.68 119.45 2ajx s LEU 11 Ca 0.34 0.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 2ajx s LEU 11 Cb 0.20 -0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.70 2ajx s LEU 11 CO 0.31 -0.15 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.44 2ajx s VAL 12 N 1.42 0.58 0.42 1.68 1.01 -0.35 -4.95 120.40 120.21 2ajx s VAL 12 Ca -0.04 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 2ajx s VAL 12 Cb -0.13 -0.55 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 2ajx s VAL 12 CO -0.03 0.20 1.05 -0.54 0.00 0.00 0.00 175.10 175.78 2ajx s LYS 13 N 0.43 4.09 0.39 2.72 1.02 -1.26 -1.76 119.74 125.37 2ajx s LYS 13 Ca -0.06 1.48 -0.27 0.00 0.02 0.00 0.00 55.97 57.15 2ajx s LYS 13 Cb -0.10 -2.45 -0.11 0.00 -0.52 0.00 0.00 37.83 34.66 2ajx s LYS 13 CO 0.00 -0.20 1.40 -0.35 -0.92 0.00 0.00 175.35 175.28 2ajx n PRO 14 N -0.25 2.35 0.00 -1.68 -0.04 -1.26 -1.94 135.00 132.17 2ajx n PRO 14 Ca 0.06 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 2ajx n PRO 14 Cb 0.50 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 2ajx n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ajx n SER 15 N 0.37 0.00 -2.63 3.54 3.41 0.19 -4.93 113.62 113.57 2ajx n SER 15 Ca 0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.55 2ajx n SER 15 Cb 0.39 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.40 2ajx n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ajx n GLN 16 N -1.62 -0.51 -4.52 4.33 6.02 -0.82 -3.67 117.38 116.59 2ajx n GLN 16 Ca 0.00 -0.66 -0.34 0.00 -0.01 0.00 0.00 57.00 55.99 2ajx n GLN 16 Cb 0.00 -0.45 -0.11 0.00 1.02 0.00 0.00 30.24 30.70 2ajx n GLN 16 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ajx s SER 17 N -2.57 4.77 -0.06 1.08 0.15 -1.26 -1.51 113.70 114.30 2ajx s SER 17 Ca 0.24 -0.04 -0.14 0.00 0.70 0.00 0.00 55.95 56.72 2ajx s SER 17 Cb -0.01 -1.43 -0.05 0.00 -1.71 0.00 0.00 66.02 62.82 2ajx s SER 17 CO 0.17 0.30 0.35 -0.22 1.20 0.00 0.00 173.24 175.04 2ajx s LEU 18 N -0.42 4.40 -0.03 3.45 2.96 0.64 -4.94 118.68 124.74 2ajx s LEU 18 Ca 0.06 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.77 2ajx s LEU 18 Cb -0.12 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.12 2ajx s LEU 18 CO 0.02 0.26 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.85 2ajx s SER 19 N -0.61 0.67 0.08 3.68 0.01 -1.26 -0.72 113.70 115.54 2ajx s SER 19 Ca 0.21 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.42 2ajx s SER 19 Cb -0.15 -0.32 -0.03 0.00 0.21 0.00 0.00 66.02 65.73 2ajx s SER 19 CO 0.10 -0.06 -0.09 -0.76 0.41 0.00 0.00 173.24 172.84 2ajx s LEU 20 N 0.87 2.36 -0.02 2.44 1.43 -0.33 -4.33 118.68 121.11 2ajx s LEU 20 Ca -0.10 -0.75 0.06 0.00 -1.03 0.00 0.00 54.13 52.31 2ajx s LEU 20 Cb -0.13 -0.22 -0.01 0.00 0.03 0.00 0.00 46.19 45.85 2ajx s LEU 20 CO -0.01 -0.27 -0.20 -0.89 0.23 0.00 0.00 176.35 175.21 2ajx s THR 21 N -2.23 1.59 -0.21 5.49 2.01 -0.15 -1.09 115.64 121.06 2ajx s THR 21 Ca 0.01 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.15 2ajx s THR 21 Cb -0.04 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 71.17 2ajx s THR 21 CO -0.01 0.45 -0.14 0.00 -0.69 0.00 0.00 174.62 174.23 2ajx s THR 23 N 1.28 5.24 -0.16 0.00 2.01 0.24 -1.52 115.64 122.74 2ajx s THR 23 Ca 0.02 0.28 -0.07 0.00 0.31 0.00 0.00 61.69 62.22 2ajx s THR 23 Cb -0.15 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2ajx s THR 23 CO -0.09 0.15 0.09 -0.69 -0.69 0.00 0.00 174.62 173.39 2ajx s VAL 24 N 1.91 5.09 -0.00 3.82 1.01 -0.92 -2.06 120.40 129.25 2ajx s VAL 24 Ca 0.11 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2ajx s VAL 24 Cb -0.16 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 2ajx s VAL 24 CO 0.11 0.52 -0.12 0.42 0.00 0.00 0.00 175.10 176.03 2ajx s THR 25 N -0.18 0.91 0.00 3.92 -4.23 -0.51 -4.79 115.64 110.76 2ajx s THR 25 Ca 0.09 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 2ajx s THR 25 Cb -0.12 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 72.95 2ajx s THR 25 CO 0.01 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 2ajx n GLY 26 N 2.66 0.66 3.63 3.99 0.00 -1.26 -1.48 105.19 113.40 2ajx n GLY 26 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2ajx n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ajx s TYR 27 N -2.63 -0.61 0.20 1.61 5.04 -1.26 -4.54 117.35 115.15 2ajx s TYR 27 Ca 0.00 1.50 -0.30 0.00 -2.44 0.00 0.00 57.07 55.83 2ajx s TYR 27 Cb 0.00 0.32 -0.08 0.00 0.35 0.00 0.00 41.96 42.55 2ajx s TYR 27 CO 0.00 -0.29 1.00 0.45 -1.34 0.00 0.00 175.55 175.37 2ajx s SER 28 N 0.30 7.48 0.00 4.32 0.15 -1.26 -4.95 113.70 119.74 2ajx s SER 28 Ca 0.02 1.98 0.28 0.00 0.70 0.00 0.00 55.95 58.93 2ajx s SER 28 Cb -0.05 -2.61 1.06 0.00 -1.71 0.00 0.00 66.02 62.72 2ajx s SER 28 CO -0.03 -0.02 1.78 2.30 1.20 0.00 0.00 173.24 178.47 2ajx n ILE 29 N 1.96 0.00 1.43 6.45 -5.35 -1.26 -3.44 119.36 119.15 2ajx n ILE 29 Ca 0.00 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 2ajx n ILE 29 Cb 0.47 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 2ajx n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2ajx n THR 30 N -1.26 0.00 -2.61 7.28 -2.24 -1.26 -4.40 114.28 109.78 2ajx n THR 30 Ca 0.10 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.65 2ajx n THR 30 Cb 0.31 -0.18 0.04 0.00 -2.10 0.00 0.00 70.33 68.40 2ajx n THR 30 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2ajx s THR 31 N -1.73 3.02 -1.00 4.28 -4.23 -1.22 -4.59 115.64 110.17 2ajx s THR 31 Ca 0.00 -0.48 -0.07 0.00 -1.18 0.00 0.00 61.69 59.96 2ajx s THR 31 Cb 0.00 -3.16 -0.07 0.00 1.34 0.00 0.00 72.50 70.61 2ajx s THR 31 CO 0.00 -0.13 2.97 -3.20 -0.54 0.00 0.00 174.62 173.72 2ajx n ASN 32 N -2.41 7.43 -4.36 3.99 5.15 -1.26 -1.97 115.26 121.82 2ajx n ASN 32 Ca 0.06 -2.77 -0.25 0.00 -0.60 0.00 0.00 54.58 51.02 2ajx n ASN 32 Cb 0.59 -1.43 -0.12 0.00 -0.53 0.00 0.00 39.78 38.29 2ajx n ASN 32 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2ajx s TYR 33 N 0.58 2.06 -0.67 1.20 2.02 -1.26 -4.80 117.35 116.49 2ajx s TYR 33 Ca 0.64 -0.40 -0.25 0.00 -0.37 0.00 0.00 57.07 56.69 2ajx s TYR 33 Cb 0.24 -1.07 0.05 0.00 -0.40 0.00 0.00 41.96 40.79 2ajx s TYR 33 CO -0.08 0.36 1.09 0.00 -1.57 0.00 0.00 175.55 175.35 2ajx s ALA 34 N -1.53 2.98 -0.64 3.71 0.00 0.11 -4.28 121.76 122.12 2ajx s ALA 34 Ca 0.15 -1.53 -0.27 0.00 0.00 0.00 0.00 51.96 50.31 2ajx s ALA 34 Cb -0.08 -3.99 0.03 0.00 0.00 0.00 0.00 23.12 19.08 2ajx s ALA 34 CO 0.07 -2.90 1.18 -1.58 0.00 0.00 0.00 175.76 172.53 2ajx s TRP 35 N 4.69 2.51 0.24 0.00 0.52 -0.19 -1.31 118.94 125.41 2ajx s TRP 35 Ca 0.29 0.11 0.10 0.00 0.02 0.00 0.00 56.10 56.63 2ajx s TRP 35 Cb -0.13 -4.49 -0.04 0.00 -1.15 0.00 0.00 33.47 27.66 2ajx s TRP 35 CO 0.14 -1.75 -0.11 -0.08 0.02 0.00 0.00 176.95 175.17 2ajx s THR 35 N 5.05 2.97 -0.12 2.01 -1.32 -0.04 -1.60 115.64 122.59 2ajx s THR 35 Ca 0.37 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.83 2ajx s THR 35 Cb -0.09 -2.53 -0.03 0.00 -1.51 0.00 0.00 72.50 68.34 2ajx s THR 35 CO 0.20 -0.28 -0.06 0.26 -2.21 0.00 0.00 174.62 172.53 2ajx s TRP 36 N -2.14 2.98 0.03 9.09 0.52 -0.50 -0.99 118.94 127.93 2ajx s TRP 36 Ca 0.28 -0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.22 2ajx s TRP 36 Cb -0.07 -1.85 -0.02 0.00 -1.15 0.00 0.00 33.47 30.38 2ajx s TRP 36 CO 0.16 0.10 -0.08 0.42 0.02 0.00 0.00 176.95 177.56 2ajx s ILE 37 N -0.11 0.61 0.08 2.03 1.01 0.45 -1.52 121.20 123.75 2ajx s ILE 37 Ca 0.02 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.80 2ajx s ILE 37 Cb -0.13 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 2ajx s ILE 37 CO 0.03 -0.22 -0.11 0.00 0.00 0.00 0.00 174.94 174.64 2ajx s ARG 38 N -1.23 0.77 -0.17 2.79 1.70 -0.68 0.26 118.95 122.39 2ajx s ARG 38 Ca -0.06 -1.02 0.00 0.00 -0.47 0.00 0.00 55.73 54.19 2ajx s ARG 38 Cb -0.08 -0.57 0.04 0.00 -0.57 0.00 0.00 34.95 33.77 2ajx s ARG 38 CO 0.00 0.10 -0.09 -1.14 -1.08 0.00 0.00 175.30 173.09 2ajx s GLN 39 N -2.25 1.88 0.81 3.89 0.74 0.63 -1.06 119.66 124.30 2ajx s GLN 39 Ca 0.00 -0.65 -0.12 0.00 0.05 0.00 0.00 55.36 54.64 2ajx s GLN 39 Cb -0.06 -2.18 0.07 0.00 1.10 0.00 0.00 33.01 31.94 2ajx s GLN 39 CO 0.01 -0.38 1.12 -0.06 -0.55 0.00 0.00 175.29 175.43 2ajx s PHE 40 N 1.50 2.88 0.20 1.67 0.08 -0.64 -0.90 117.98 122.78 2ajx s PHE 40 Ca 0.01 1.00 -0.31 0.00 0.12 0.00 0.00 56.93 57.75 2ajx s PHE 40 Cb -0.15 -3.23 -0.10 0.00 -0.57 0.00 0.00 43.02 38.97 2ajx s PHE 40 CO -0.09 -1.78 1.49 -2.14 -0.10 0.00 0.00 175.22 172.61 2ajx s PRO 41 N -5.29 4.24 0.00 0.24 0.02 -1.26 -0.71 135.00 132.24 2ajx s PRO 41 Ca 0.61 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.95 2ajx s PRO 41 Cb -0.13 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.25 2ajx s PRO 41 CO 0.53 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 177.10 2ajx n GLY 42 N 2.95 2.18 2.13 0.52 0.00 -1.26 -4.67 105.19 107.04 2ajx n GLY 42 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2ajx n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ajx n ASN 43 N 0.00 -1.35 -4.75 1.61 3.02 0.12 -5.04 115.26 108.86 2ajx n ASN 43 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 2ajx n ASN 43 Cb 0.00 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 38.92 2ajx n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ajx s LYS 44 N -0.14 4.24 -0.04 3.52 2.20 -1.25 -4.75 119.74 123.52 2ajx s LYS 44 Ca 0.00 2.35 -0.02 0.00 -0.36 0.00 0.00 55.97 57.94 2ajx s LYS 44 Cb 0.00 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 2ajx s LYS 44 CO 0.00 -0.43 0.10 -0.51 -0.36 0.00 0.00 175.35 174.15 2ajx s LEU 45 N -0.71 4.04 -0.02 5.43 1.43 -1.26 -1.62 118.68 125.97 2ajx s LEU 45 Ca 0.58 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 2ajx s LEU 45 Cb -0.43 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 43.57 2ajx s LEU 45 CO 0.47 0.31 0.00 -0.70 0.23 0.00 0.00 176.35 176.66 2ajx s GLU 46 N -1.53 0.13 -0.21 1.70 2.12 -0.22 -5.00 118.70 115.69 2ajx s GLU 46 Ca 0.21 0.06 -0.25 0.00 0.36 0.00 0.00 54.97 55.35 2ajx s GLU 46 Cb -0.12 -0.27 -0.01 0.00 0.26 0.00 0.00 34.13 33.99 2ajx s GLU 46 CO 0.11 -0.08 0.84 -0.46 -0.54 0.00 0.00 175.26 175.14 2ajx s TRP 47 N 0.62 3.36 -0.12 5.30 -0.00 -1.26 -1.69 118.94 125.14 2ajx s TRP 47 Ca -0.06 1.21 0.02 0.00 -0.00 0.00 0.00 56.10 57.27 2ajx s TRP 47 Cb -0.08 -3.04 -0.24 0.00 -0.00 0.00 0.00 33.47 30.10 2ajx s TRP 47 CO -0.01 -0.33 0.35 -1.33 -0.00 0.00 0.00 176.95 175.62 2ajx n MET 48 N 5.66 0.70 -1.81 5.86 2.81 -0.58 -4.53 117.12 125.24 2ajx n MET 48 Ca 0.05 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 2ajx n MET 48 Cb 0.48 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 2ajx n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ajx n GLY 49 N 1.89 -0.59 3.56 3.03 0.00 -1.20 -1.08 105.19 110.80 2ajx n GLY 49 Ca -0.30 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 2ajx n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ajx s TYR 50 N -1.73 0.14 -0.01 1.61 -0.85 0.29 -1.41 117.35 115.39 2ajx s TYR 50 Ca 0.00 -0.51 0.06 0.00 -0.52 0.00 0.00 57.07 56.10 2ajx s TYR 50 Cb 0.00 0.28 -0.02 0.00 0.38 0.00 0.00 41.96 42.60 2ajx s TYR 50 CO 0.00 -0.95 -0.20 -1.50 -1.52 0.00 0.00 175.55 171.38 2ajx s ILE 51 N -3.95 1.54 -0.08 -3.49 2.07 -0.63 -1.72 121.20 114.94 2ajx s ILE 51 Ca 0.16 -0.88 -0.07 0.00 -1.41 0.00 0.00 60.65 58.45 2ajx s ILE 51 Cb -0.01 -1.29 0.02 0.00 0.13 0.00 0.00 42.46 41.31 2ajx s ILE 51 CO 0.03 0.40 0.22 -0.60 -1.91 0.00 0.00 174.94 173.08 2ajx s ARG 52 N -0.56 0.24 -1.51 3.50 3.52 0.25 -1.03 118.95 123.37 2ajx s ARG 52 Ca 0.07 0.33 -0.13 0.00 -0.13 0.00 0.00 55.73 55.87 2ajx s ARG 52 Cb -0.08 0.09 0.08 0.00 -1.56 0.00 0.00 34.95 33.48 2ajx s ARG 52 CO -0.00 -0.05 0.92 0.45 -0.81 0.00 0.00 175.30 175.81 2ajx n SER 53 N 3.12 -4.91 0.00 -2.12 2.88 -0.83 -1.22 113.62 110.54 2ajx n SER 53 Ca -0.14 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.70 2ajx n SER 53 Cb 0.58 -3.93 0.00 0.00 -0.75 0.00 0.00 64.21 60.11 2ajx n SER 53 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ajx n SER 54 N -2.77 0.00 -0.39 -3.46 7.64 -1.26 -4.38 113.62 109.00 2ajx n SER 54 Ca 0.03 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.95 2ajx n SER 54 Cb 0.53 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.80 2ajx n SER 54 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2ajx n VAL 55 N 0.00 0.44 -4.05 0.44 0.24 -1.19 -4.95 118.33 109.27 2ajx n VAL 55 Ca 0.00 -0.72 -0.35 0.00 -2.04 0.00 0.00 64.34 61.23 2ajx n VAL 55 Cb 0.00 0.88 -0.13 0.00 -1.47 0.00 0.00 33.84 33.11 2ajx n VAL 55 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2ajx s ILE 56 N -0.82 3.56 0.08 1.34 1.01 -0.36 -4.98 121.20 121.03 2ajx s ILE 56 Ca 0.13 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.41 2ajx s ILE 56 Cb 0.08 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 2ajx s ILE 56 CO 0.11 0.43 -0.18 0.42 0.00 0.00 0.00 174.94 175.72 2ajx s THR 57 N 1.21 1.46 -0.04 2.92 -4.23 -1.26 0.85 115.64 116.56 2ajx s THR 57 Ca 0.03 -1.37 -0.02 0.00 -1.18 0.00 0.00 61.69 59.16 2ajx s THR 57 Cb -0.14 -1.33 0.02 0.00 1.34 0.00 0.00 72.50 72.38 2ajx s THR 57 CO -0.00 -0.07 0.08 -0.13 -0.54 0.00 0.00 174.62 173.96 2ajx s ARG 58 N -1.67 0.04 0.22 3.99 1.81 -0.70 -4.98 118.95 117.65 2ajx s ARG 58 Ca 0.03 0.21 0.08 0.00 -1.72 0.00 0.00 55.73 54.34 2ajx s ARG 58 Cb -0.10 -0.12 -0.05 0.00 -0.45 0.00 0.00 34.95 34.23 2ajx s ARG 58 CO 0.03 -0.11 -0.15 0.71 -0.68 0.00 0.00 175.30 175.10 2ajx s TYR 59 N 0.73 1.81 0.01 -0.53 2.02 -1.26 -0.55 117.35 119.57 2ajx s TYR 59 Ca -0.06 -0.53 -0.30 0.00 -0.37 0.00 0.00 57.07 55.81 2ajx s TYR 59 Cb -0.08 -0.83 -0.05 0.00 -0.40 0.00 0.00 41.96 40.60 2ajx s TYR 59 CO -0.03 0.42 1.36 1.21 -1.57 0.00 0.00 175.55 176.94 2ajx s ASN 60 N -3.34 6.89 0.45 2.29 3.84 -0.24 -4.90 114.94 119.93 2ajx s ASN 60 Ca 0.24 2.08 0.15 0.00 0.21 0.00 0.00 52.86 55.54 2ajx s ASN 60 Cb -0.02 -2.56 1.09 0.00 -0.55 0.00 0.00 41.25 39.21 2ajx s ASN 60 CO 0.08 -0.68 1.99 -0.65 -2.79 0.00 0.00 177.10 175.06 2ajx h PRO 61 N 7.62 0.32 0.00 0.43 0.11 -1.93 -1.71 132.00 136.84 2ajx h PRO 61 Ca -0.38 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 2ajx h PRO 61 Cb 1.18 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2ajx h PRO 61 CO 0.89 0.21 -0.02 0.66 -0.21 0.00 0.00 178.00 179.53 2ajx h SER 62 N 0.33 0.00 0.46 -2.05 4.64 -1.98 -1.23 113.55 113.72 2ajx h SER 62 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2ajx h SER 62 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2ajx h SER 62 CO -0.06 0.02 -0.01 0.18 -0.87 0.00 0.00 176.83 176.09 2ajx n LEU 63 N -3.27 0.06 0.00 5.97 4.77 -0.64 -4.98 117.00 118.90 2ajx n LEU 63 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2ajx n LEU 63 Cb 0.15 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2ajx n LEU 63 CO 0.24 0.01 0.00 0.29 -1.33 0.00 0.00 177.39 176.60 2ajx n LYS 64 N -1.20 0.00 -0.76 3.23 5.02 -0.47 -2.16 118.16 121.83 2ajx n LYS 64 Ca 0.16 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.52 2ajx n LYS 64 Cb 0.23 0.00 0.37 0.00 -0.02 0.00 0.00 35.03 35.60 2ajx n LYS 64 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2ajx n SER 65 N 0.77 5.14 0.01 4.39 3.41 -1.26 -4.32 113.62 121.76 2ajx n SER 65 Ca 0.00 -2.71 0.12 0.00 -0.26 0.00 0.00 58.87 56.01 2ajx n SER 65 Cb 0.00 -0.64 0.19 0.00 -0.26 0.00 0.00 64.21 63.50 2ajx n SER 65 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2ajx n ARG 66 N 0.76 0.09 -3.85 4.33 1.85 -0.92 -4.88 116.66 114.05 2ajx n ARG 66 Ca 0.26 0.02 -0.35 0.00 -1.00 0.00 0.00 57.85 56.77 2ajx n ARG 66 Cb 1.04 -1.55 -0.05 0.00 -1.05 0.00 0.00 32.46 30.85 2ajx n ARG 66 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2ajx s ILE 67 N -3.06 5.40 -0.08 8.89 2.07 -1.26 -0.64 121.20 132.52 2ajx s ILE 67 Ca 0.09 0.05 -0.06 0.00 -1.41 0.00 0.00 60.65 59.33 2ajx s ILE 67 Cb 0.16 -3.52 0.03 0.00 0.13 0.00 0.00 42.46 39.27 2ajx s ILE 67 CO 0.72 0.41 0.21 -0.55 -1.91 0.00 0.00 174.94 173.83 2ajx s SER 68 N -1.63 -0.21 -0.11 4.50 0.15 -0.22 -5.01 113.70 111.17 2ajx s SER 68 Ca 0.24 0.43 0.01 0.00 0.70 0.00 0.00 55.95 57.33 2ajx s SER 68 Cb -0.13 0.37 0.02 0.00 -1.71 0.00 0.00 66.02 64.57 2ajx s SER 68 CO 0.14 -0.12 -0.13 -0.63 1.20 0.00 0.00 173.24 173.71 2ajx s ILE 69 N 0.69 1.35 0.37 6.45 1.01 -1.26 -1.02 121.20 128.79 2ajx s ILE 69 Ca -0.05 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.14 2ajx s ILE 69 Cb -0.06 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 2ajx s ILE 69 CO -0.04 0.42 0.24 0.42 0.00 0.00 0.00 174.94 175.98 2ajx s THR 70 N 1.27 0.16 0.23 2.92 -4.23 -1.05 -4.90 115.64 110.04 2ajx s THR 70 Ca -0.02 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.39 2ajx s THR 70 Cb -0.14 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 2ajx s THR 70 CO -0.05 0.00 0.40 0.00 -0.54 0.00 0.00 174.62 174.43 2ajx s GLN 71 N -3.48 1.45 -0.30 3.99 -2.07 -1.26 0.11 119.66 118.10 2ajx s GLN 71 Ca 0.35 -1.30 -0.02 0.00 -1.82 0.00 0.00 55.36 52.57 2ajx s GLN 71 Cb 0.02 0.43 0.10 0.00 -1.09 0.00 0.00 33.01 32.47 2ajx s GLN 71 CO 0.24 -0.58 0.11 0.34 -1.32 0.00 0.00 175.29 174.08 2ajx s ASP 72 N -3.03 3.80 0.24 12.60 -1.08 -0.31 -4.99 116.67 123.90 2ajx s ASP 72 Ca 0.24 -1.48 -0.05 0.00 -0.52 0.00 0.00 52.55 50.74 2ajx s ASP 72 Cb 0.01 -0.67 0.33 0.00 -1.46 0.00 0.00 42.92 41.13 2ajx s ASP 72 CO 0.08 -0.42 1.85 0.74 0.52 0.00 0.00 175.17 177.95 2ajx h THR 73 N 6.46 1.05 0.00 1.71 2.02 -1.97 -0.26 112.91 121.92 2ajx h THR 73 Ca -0.16 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 2ajx h THR 73 Cb 1.02 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2ajx h THR 73 CO 0.45 0.18 -0.02 0.77 0.37 0.00 0.00 175.52 177.27 2ajx h SER 74 N 0.99 0.00 -0.01 4.18 4.64 -1.96 -1.94 113.55 119.45 2ajx h SER 74 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2ajx h SER 74 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2ajx h SER 74 CO -0.17 0.02 -0.26 0.29 -0.87 0.00 0.00 176.83 175.85 2ajx n LYS 75 N -3.74 1.89 -3.70 4.77 5.02 -0.85 -5.00 118.16 116.55 2ajx n LYS 75 Ca -0.03 -0.70 -0.22 0.00 -2.02 0.00 0.00 58.31 55.34 2ajx n LYS 75 Cb 0.11 -1.16 0.03 0.00 -0.02 0.00 0.00 35.03 33.99 2ajx n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2ajx n ASN 76 N -0.19 -1.58 -4.11 4.39 4.05 -0.17 -4.79 115.26 112.87 2ajx n ASN 76 Ca 0.05 -0.84 -0.17 0.00 0.45 0.00 0.00 54.58 54.07 2ajx n ASN 76 Cb 0.26 -3.98 -0.12 0.00 1.23 0.00 0.00 39.78 37.18 2ajx n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2ajx s GLN 77 N -5.96 0.71 0.18 1.20 -0.21 -1.07 -2.16 119.66 112.35 2ajx s GLN 77 Ca 0.05 -0.77 0.09 0.00 0.02 0.00 0.00 55.36 54.75 2ajx s GLN 77 Cb -0.01 -0.63 -0.04 0.00 1.00 0.00 0.00 33.01 33.32 2ajx s GLN 77 CO 0.82 0.14 -0.19 -0.59 -2.12 0.00 0.00 175.29 173.35 2ajx s PHE 78 N -1.11 1.94 0.19 0.91 -0.71 -0.58 -1.16 117.98 117.46 2ajx s PHE 78 Ca -0.04 -0.44 0.07 0.00 -1.04 0.00 0.00 56.93 55.48 2ajx s PHE 78 Cb -0.09 -0.95 -0.04 0.00 -1.21 0.00 0.00 43.02 40.73 2ajx s PHE 78 CO 0.01 0.40 -0.15 -0.06 -1.34 0.00 0.00 175.22 174.08 2ajx s PHE 79 N -2.09 1.66 -0.08 3.49 0.08 0.12 -0.52 117.98 120.65 2ajx s PHE 79 Ca 0.18 -0.57 0.04 0.00 0.12 0.00 0.00 56.93 56.71 2ajx s PHE 79 Cb -0.06 -0.79 -0.00 0.00 -0.57 0.00 0.00 43.02 41.60 2ajx s PHE 79 CO 0.08 0.32 -0.22 -1.17 -0.10 0.00 0.00 175.22 174.13 2ajx s LEU 80 N -3.14 1.99 -0.09 -0.37 2.96 -0.25 -2.53 118.68 117.25 2ajx s LEU 80 Ca 0.20 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 2ajx s LEU 80 Cb -0.02 -1.25 0.02 0.00 0.50 0.00 0.00 46.19 45.45 2ajx s LEU 80 CO 0.06 0.16 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.60 2ajx s GLN 81 N 0.22 1.35 -0.22 1.98 0.74 -0.19 -1.18 119.66 122.36 2ajx s GLN 81 Ca -0.12 -0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.08 2ajx s GLN 81 Cb -0.16 -1.38 0.05 0.00 1.10 0.00 0.00 33.01 32.62 2ajx s GLN 81 CO 0.06 -0.20 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.36 2ajx s LEU 82 N 1.47 2.49 0.66 3.68 2.96 0.10 -1.05 118.68 128.99 2ajx s LEU 82 Ca -0.00 -1.07 -0.07 0.00 -0.22 0.00 0.00 54.13 52.76 2ajx s LEU 82 Cb -0.13 -1.21 0.03 0.00 0.50 0.00 0.00 46.19 45.38 2ajx s LEU 82 CO -0.05 -0.20 0.99 0.20 -1.32 0.00 0.00 176.35 175.97 2ajx s ASN 82 N 1.38 5.22 -1.30 3.68 0.01 0.18 -0.26 114.94 123.85 2ajx s ASN 82 Ca -0.04 0.69 -0.25 0.00 -0.71 0.00 0.00 52.86 52.55 2ajx s ASN 82 Cb -0.18 -1.49 0.03 0.00 0.41 0.00 0.00 41.25 40.02 2ajx s ASN 82 CO -0.07 -1.35 0.51 -1.20 -1.51 0.00 0.00 177.10 173.48 2ajx n SER 82 N -2.82 -2.80 -4.79 -1.22 7.64 -0.99 -4.90 113.62 103.74 2ajx n SER 82 Ca 0.06 -1.28 -0.33 0.00 1.01 0.00 0.00 58.87 58.33 2ajx n SER 82 Cb 0.59 -1.76 0.02 0.00 -1.01 0.00 0.00 64.21 62.05 2ajx n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2ajx s VAL 82 N -3.75 3.51 0.35 0.44 -7.23 -0.57 -4.63 120.40 108.52 2ajx s VAL 82 Ca 0.36 0.76 0.03 0.00 -1.81 0.00 0.00 61.98 61.32 2ajx s VAL 82 Cb -0.19 -3.27 -0.04 0.00 0.56 0.00 0.00 36.38 33.43 2ajx s VAL 82 CO 0.97 -0.38 0.10 0.42 -0.31 0.00 0.00 175.10 175.90 2ajx s THR 83 N -2.28 0.81 0.47 5.32 -4.23 -1.26 0.54 115.64 115.02 2ajx s THR 83 Ca 0.66 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.55 2ajx s THR 83 Cb -0.19 -2.56 0.38 0.00 1.34 0.00 0.00 72.50 71.47 2ajx s THR 83 CO 0.36 0.00 2.16 0.71 -0.54 0.00 0.00 174.62 177.30 2ajx h THR 84 N 2.00 0.00 0.00 3.99 1.35 -1.98 0.39 112.91 118.66 2ajx h THR 84 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2ajx h THR 84 Cb 1.26 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2ajx h THR 84 CO 0.62 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.27 2ajx n GLU 85 N -2.86 0.14 -0.01 4.72 -0.58 -1.26 -2.09 120.64 118.69 2ajx n GLU 85 Ca -0.03 0.41 0.13 0.00 -0.42 0.00 0.00 57.16 57.25 2ajx n GLU 85 Cb 0.10 -1.78 0.33 0.00 -0.57 0.00 0.00 31.44 29.51 2ajx n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2ajx n ASP 86 N -2.05 2.22 -4.69 1.62 8.00 0.13 -4.88 116.55 116.89 2ajx n ASP 86 Ca 0.02 -1.74 -0.42 0.00 0.71 0.00 0.00 54.79 53.36 2ajx n ASP 86 Cb 0.19 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 2ajx n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ajx s THR 87 N -1.97 3.07 -0.04 -3.53 2.01 -0.89 -4.83 115.64 109.46 2ajx s THR 87 Ca 0.33 0.57 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 2ajx s THR 87 Cb 0.20 -3.37 0.11 0.00 0.01 0.00 0.00 72.50 69.46 2ajx s THR 87 CO 0.32 0.01 1.32 0.00 -0.69 0.00 0.00 174.62 175.57 2ajx s ALA 88 N 2.36 -2.48 -0.22 7.40 0.00 -0.71 -4.45 121.76 123.66 2ajx s ALA 88 Ca 0.72 0.29 -0.10 0.00 0.00 0.00 0.00 51.96 52.87 2ajx s ALA 88 Cb -0.39 0.73 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 2ajx s ALA 88 CO 0.31 -1.13 0.13 0.99 0.00 0.00 0.00 175.76 176.07 2ajx s THR 89 N -2.09 5.20 -0.17 0.00 2.01 -0.08 -1.34 115.64 119.16 2ajx s THR 89 Ca 0.25 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 62.30 2ajx s THR 89 Cb 0.02 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 2ajx s THR 89 CO -0.02 0.38 0.08 -0.31 -0.69 0.00 0.00 174.62 174.06 2ajx s TYR 90 N 0.88 3.33 0.05 4.92 1.51 0.36 -0.27 117.35 128.12 2ajx s TYR 90 Ca 0.07 0.21 0.08 0.00 -1.01 0.00 0.00 57.07 56.41 2ajx s TYR 90 Cb -0.13 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 2ajx s TYR 90 CO 0.03 0.29 -0.23 0.71 -1.11 0.00 0.00 175.55 175.23 2ajx s TYR 91 N 0.10 2.04 0.13 2.71 2.02 0.14 -0.79 117.35 123.70 2ajx s TYR 91 Ca 0.07 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.44 2ajx s TYR 91 Cb -0.12 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 2ajx s TYR 91 CO 0.00 0.11 -0.05 0.00 -1.57 0.00 0.00 175.55 174.04 2ajx s ALA 93 N -1.43 -1.55 -0.29 0.00 0.00 -0.17 -0.93 121.76 117.39 2ajx s ALA 93 Ca 0.24 0.57 -0.07 0.00 0.00 0.00 0.00 51.96 52.70 2ajx s ALA 93 Cb -0.10 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 2ajx s ALA 93 CO 0.16 -0.68 0.09 0.50 0.00 0.00 0.00 175.76 175.83 2ajx s ARG 94 N -3.30 3.25 -0.08 0.00 3.52 -0.75 -0.87 118.95 120.72 2ajx s ARG 94 Ca -0.01 -0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 54.83 2ajx s ARG 94 Cb -0.01 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 2ajx s ARG 94 CO -0.09 -0.39 -0.02 0.71 -0.81 0.00 0.00 175.30 174.70 2ajx s TYR 95 N 1.54 3.08 0.53 5.12 1.51 -0.42 -4.22 117.35 124.49 2ajx s TYR 95 Ca 0.04 0.13 0.08 0.00 -1.01 0.00 0.00 57.07 56.31 2ajx s TYR 95 Cb -0.17 -1.77 0.05 0.00 -0.11 0.00 0.00 41.96 39.97 2ajx s TYR 95 CO 0.03 0.41 0.63 0.16 -1.11 0.00 0.00 175.55 175.67 2ajx s ASP 96 N -0.83 5.07 0.39 2.29 1.47 -0.75 0.09 116.67 124.39 2ajx s ASP 96 Ca 0.13 -0.87 0.17 0.00 1.18 0.00 0.00 52.55 53.15 2ajx s ASP 96 Cb -0.11 0.10 1.05 0.00 -0.34 0.00 0.00 42.92 43.62 2ajx s ASP 96 CO 0.02 -1.13 1.78 0.22 0.68 0.00 0.00 175.17 176.74 2ajx h TYR 97 N 0.47 0.71 -0.23 2.11 3.20 -1.90 -0.98 116.97 120.35 2ajx h TYR 97 Ca -0.34 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.55 2ajx h TYR 97 Cb 1.29 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.35 2ajx h TYR 97 CO 0.56 0.09 0.00 0.66 -1.64 0.00 0.00 178.16 177.83 2ajx n TYR 98 N -4.64 0.30 -0.70 -3.82 4.01 -1.26 -4.91 117.16 106.14 2ajx n TYR 98 Ca 0.25 -0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2ajx n TYR 98 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 2ajx n TYR 98 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ajx n GLY 99 N 1.08 0.81 3.71 2.72 0.00 -0.37 -5.03 105.19 108.11 2ajx n GLY 99 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2ajx n GLY 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ajx s ASN 100 N -2.78 7.37 -0.00 1.61 2.47 -1.26 -4.78 114.94 117.57 2ajx s ASN 100 Ca 0.00 1.71 0.03 0.00 0.42 0.00 0.00 52.86 55.02 2ajx s ASN 100 Cb 0.00 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 2ajx s ASN 100 CO 0.00 -0.24 0.13 0.35 -3.72 0.00 0.00 177.10 173.62 2ajx n THR 100 N 3.73 0.00 -2.99 -5.21 -2.24 -1.26 -1.81 114.28 104.50 2ajx n THR 100 Ca 0.06 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2ajx n THR 100 Cb 0.50 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 2ajx n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ajx n GLY 100 N 1.10 2.86 1.44 3.38 0.00 -1.26 -0.67 105.19 112.04 2ajx n GLY 100 Ca 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 2ajx n GLY 100 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ajx n ASP 101 N 1.41 3.94 -3.55 1.61 8.00 -1.26 -4.82 116.55 121.88 2ajx n ASP 101 Ca 0.00 -3.30 -0.41 0.00 0.71 0.00 0.00 54.79 51.80 2ajx n ASP 101 Cb 0.00 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.43 2ajx n ASP 101 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2ajx n TYR 102 N -0.54 2.77 -4.32 1.24 4.01 0.16 -4.89 117.16 115.60 2ajx n TYR 102 Ca 0.33 -2.93 -0.25 0.00 -0.16 0.00 0.00 57.90 54.89 2ajx n TYR 102 Cb 1.15 -2.19 -0.13 0.00 -0.31 0.00 0.00 39.34 37.86 2ajx n TYR 102 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2ajx s TRP 103 N 0.95 1.94 0.87 -0.72 0.52 -1.26 -1.80 118.94 119.45 2ajx s TRP 103 Ca 0.55 -0.41 -0.12 0.00 0.02 0.00 0.00 56.10 56.14 2ajx s TRP 103 Cb 0.16 -1.06 0.16 0.00 -1.15 0.00 0.00 33.47 31.58 2ajx s TRP 103 CO -0.06 0.25 1.22 0.20 0.02 0.00 0.00 176.95 178.57 2ajx s GLY 104 N -1.97 1.75 0.02 0.98 0.00 -0.11 -4.62 107.32 103.37 2ajx s GLY 104 Ca 0.09 -1.20 0.28 0.00 0.00 0.00 0.00 44.72 43.88 2ajx s GLY 104 CO 0.05 -0.54 1.89 -1.06 0.00 0.00 0.00 173.10 173.44 2ajx n GLN 105 N -3.46 0.03 0.00 2.90 6.02 -1.26 -4.81 117.38 116.80 2ajx n GLN 105 Ca 0.14 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2ajx n GLN 105 Cb 0.60 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.33 2ajx n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ajx n GLY 106 N 1.39 -1.67 2.91 1.08 0.00 -1.26 -5.04 105.19 102.60 2ajx n GLY 106 Ca 0.07 -1.40 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 2ajx n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ajx s THR 107 N -3.53 0.43 0.13 2.61 -1.32 0.03 -4.91 115.64 109.09 2ajx s THR 107 Ca 0.00 -0.14 -0.26 0.00 -1.21 0.00 0.00 61.69 60.08 2ajx s THR 107 Cb 0.00 -0.43 -0.07 0.00 -1.51 0.00 0.00 72.50 70.49 2ajx s THR 107 CO 0.00 0.17 0.80 -0.55 -2.21 0.00 0.00 174.62 172.83 2ajx s SER 108 N 0.47 7.37 -0.07 8.08 0.15 -1.26 -0.49 113.70 127.95 2ajx s SER 108 Ca -0.06 1.63 0.02 0.00 0.70 0.00 0.00 55.95 58.24 2ajx s SER 108 Cb -0.09 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 2ajx s SER 108 CO -0.00 0.13 -0.10 -0.69 1.20 0.00 0.00 173.24 173.78 2ajx s VAL 109 N -0.77 1.03 -0.14 4.45 1.01 -0.45 -4.34 120.40 121.21 2ajx s VAL 109 Ca 0.38 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2ajx s VAL 109 Cb -0.23 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 2ajx s VAL 109 CO 0.26 0.34 -0.17 -0.89 0.00 0.00 0.00 175.10 174.64 2ajx s THR 110 N 0.88 2.63 -0.38 3.92 2.01 -0.05 -1.73 115.64 122.91 2ajx s THR 110 Ca -0.11 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 60.94 2ajx s THR 110 Cb -0.15 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.28 2ajx s THR 110 CO 0.01 0.53 0.36 -0.69 -0.69 0.00 0.00 174.62 174.14 2ajx s VAL 111 N 0.57 5.18 0.18 3.82 1.01 -1.26 -1.21 120.40 128.69 2ajx s VAL 111 Ca -0.10 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 2ajx s VAL 111 Cb -0.16 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.37 2ajx s VAL 111 CO 0.04 -0.24 0.60 -0.55 0.00 0.00 0.00 175.10 174.94 2ajx s SER 112 N 1.75 -0.45 0.01 3.32 0.15 -0.73 -4.50 113.70 113.24 2ajx s SER 112 Ca 0.10 -0.19 0.22 0.00 0.70 0.00 0.00 55.95 56.78 2ajx s SER 112 Cb -0.17 0.61 -0.05 0.00 -1.71 0.00 0.00 66.02 64.70 2ajx s SER 112 CO 0.12 -1.04 0.98 -1.20 1.20 0.00 0.00 173.24 173.30 2ajx n SER 113 N -0.38 0.75 -4.73 5.45 7.64 -1.26 -3.98 113.62 117.11 2ajx n SER 113 Ca -0.14 -0.64 -0.33 0.00 1.01 0.00 0.00 58.87 58.77 2ajx n SER 113 Cb 0.64 0.91 0.09 0.00 -1.01 0.00 0.00 64.21 64.83 2ajx n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ajx s ALA 114 N -3.08 2.15 0.31 -0.43 0.00 -1.26 -5.01 121.76 114.44 2ajx s ALA 114 Ca 0.06 0.69 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 2ajx s ALA 114 Cb 0.16 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 2ajx s ALA 114 CO 0.83 -1.80 0.59 0.15 0.00 0.00 0.00 175.76 175.53 2ajx s LYS 115 N -4.14 3.66 0.21 0.00 -0.14 -1.26 -5.04 119.74 113.03 2ajx s LYS 115 Ca 0.70 0.09 -0.30 0.00 -1.36 0.00 0.00 55.97 55.10 2ajx s LYS 115 Cb -0.25 -2.60 -0.09 0.00 -1.68 0.00 0.00 37.83 33.21 2ajx s LYS 115 CO 0.47 0.18 1.37 0.99 -0.76 0.00 0.00 175.35 177.59 2ajx s THR 116 N -2.12 2.98 -0.06 2.17 2.01 -1.26 -4.78 115.64 114.57 2ajx s THR 116 Ca 0.45 0.81 -0.00 0.00 0.31 0.00 0.00 61.69 63.25 2ajx s THR 116 Cb -0.11 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 68.91 2ajx s THR 116 CO 0.30 0.12 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.44 2ajx s THR 117 N 0.15 0.48 0.44 -0.82 2.01 0.80 -4.95 115.64 113.74 2ajx s THR 117 Ca 0.58 -0.00 -0.22 0.00 0.31 0.00 0.00 61.69 62.36 2ajx s THR 117 Cb -0.39 -0.58 -0.09 0.00 0.01 0.00 0.00 72.50 71.45 2ajx s THR 117 CO 0.39 0.25 1.01 -2.16 -0.69 0.00 0.00 174.62 173.43 2ajx s PRO 118 N 1.52 4.06 0.69 4.92 0.04 -1.26 -1.08 135.00 143.89 2ajx s PRO 118 Ca -0.02 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 2ajx s PRO 118 Cb -0.13 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2ajx s PRO 118 CO -0.03 -0.21 1.06 -1.25 0.04 0.00 0.00 177.00 176.61 2ajx s PRO 119 N -2.93 3.02 -0.12 0.56 0.04 -1.26 -4.57 135.00 129.74 2ajx s PRO 119 Ca 0.62 0.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 2ajx s PRO 119 Cb -0.16 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2ajx s PRO 119 CO 0.21 -0.99 -0.07 -1.54 0.04 0.00 0.00 177.00 174.65 2ajx s SER 120 N -4.04 4.56 -0.19 6.66 1.04 -0.64 -4.94 113.70 116.13 2ajx s SER 120 Ca 0.57 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.83 2ajx s SER 120 Cb -0.13 -1.53 -0.02 0.00 0.10 0.00 0.00 66.02 64.45 2ajx s SER 120 CO 0.54 0.23 -0.04 -0.69 0.98 0.00 0.00 173.24 174.26 2ajx s VAL 121 N -0.04 3.54 -0.07 5.02 1.01 -1.26 -1.43 120.40 127.17 2ajx s VAL 121 Ca -0.00 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2ajx s VAL 121 Cb -0.13 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2ajx s VAL 121 CO 0.03 0.45 -0.17 -0.31 0.00 0.00 0.00 175.10 175.10 2ajx s TYR 122 N 1.07 2.65 0.25 5.22 2.02 0.29 -4.96 117.35 123.90 2ajx s TYR 122 Ca 0.01 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 2ajx s TYR 122 Cb -0.15 -1.66 -0.09 0.00 -0.40 0.00 0.00 41.96 39.66 2ajx s TYR 122 CO 0.00 0.01 1.04 -1.25 -1.57 0.00 0.00 175.55 173.78 2ajx s PRO 123 N -0.37 4.72 -0.36 -1.71 0.04 -1.26 -0.48 135.00 135.58 2ajx s PRO 123 Ca 0.04 1.67 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 2ajx s PRO 123 Cb -0.12 -3.24 0.09 0.00 0.04 0.00 0.00 34.50 31.27 2ajx s PRO 123 CO 0.02 0.31 0.10 -0.51 0.04 0.00 0.00 177.00 176.96 2ajx s LEU 124 N -1.20 4.70 0.02 -3.56 1.43 0.14 -4.89 118.68 115.32 2ajx s LEU 124 Ca 0.44 -1.85 0.08 0.00 -1.03 0.00 0.00 54.13 51.76 2ajx s LEU 124 Cb -0.29 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2ajx s LEU 124 CO 0.37 -0.41 -0.24 0.00 0.23 0.00 0.00 176.35 176.30 2ajx s ALA 125 N 1.10 2.33 0.49 4.21 0.00 -1.26 -1.95 121.76 126.67 2ajx s ALA 125 Ca 0.05 -1.19 -0.22 0.00 0.00 0.00 0.00 51.96 50.60 2ajx s ALA 125 Cb -0.21 -0.59 -0.09 0.00 0.00 0.00 0.00 23.12 22.24 2ajx s ALA 125 CO -0.05 0.54 0.95 -0.35 0.00 0.00 0.00 175.76 176.86 2ajx n PRO 126 N 1.96 1.15 0.07 0.00 -0.04 -1.26 -4.92 135.00 131.97 2ajx n PRO 126 Ca -0.17 0.42 -0.11 0.00 -0.04 0.00 0.00 63.50 63.61 2ajx n PRO 126 Cb 0.52 -2.06 -0.07 0.00 -0.04 0.00 0.00 33.50 31.85 2ajx n PRO 126 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2ajx h GLY 127 N 1.11 -0.27 0.00 0.55 0.00 -2.00 -3.40 103.07 99.06 2ajx h GLY 127 Ca -0.46 0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2ajx h GLY 127 CO 0.54 -0.10 0.00 -1.30 0.00 0.00 0.00 176.54 175.68 2ajx n THR 128 N -4.96 0.00 -4.20 4.70 -2.24 -1.26 -4.86 114.28 101.46 2ajx n THR 128 Ca -0.08 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.38 2ajx n THR 128 Cb 0.26 -0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.32 2ajx n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ajx s ALA 129 N -2.00 3.36 0.24 6.98 0.00 -1.26 -5.12 121.76 123.97 2ajx s ALA 129 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2ajx s ALA 129 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 2ajx s ALA 129 CO 0.00 0.68 0.05 0.00 0.00 0.00 0.00 175.76 176.49 2ajx n ALA 130 N 1.10 0.29 -1.53 0.00 0.00 -1.26 -5.05 120.51 114.06 2ajx n ALA 130 Ca -0.13 -1.18 -0.41 0.00 0.00 0.00 0.00 53.44 51.72 2ajx n ALA 130 Cb 0.52 0.74 -0.06 0.00 0.00 0.00 0.00 19.45 20.65 2ajx n ALA 130 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2ajx n LEU 133 N 0.00 2.05 0.00 0.00 -0.00 -1.26 -4.93 117.00 112.85 2ajx n LEU 133 Ca -0.06 -0.12 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 2ajx n LEU 133 Cb 0.34 -1.40 0.00 0.00 -0.00 0.00 0.00 43.42 42.36 2ajx n LEU 133 CO 0.18 -1.15 0.00 0.29 -0.00 0.00 0.00 177.39 176.71 2ajx n LYS 134 N 8.73 0.74 -0.89 1.47 4.76 -1.26 -4.25 118.16 127.46 2ajx n LYS 134 Ca 0.42 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 2ajx n LYS 134 Cb 0.38 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.57 2ajx n LYS 134 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2ajx n SER 135 N -0.48 -4.32 0.00 4.39 2.88 -1.26 -4.81 113.62 110.01 2ajx n SER 135 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2ajx n SER 135 Cb 0.00 -2.97 0.00 0.00 -0.75 0.00 0.00 64.21 60.49 2ajx n SER 135 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2ajx n SER 136 N -0.68 0.00 -4.51 -3.46 3.41 -1.26 -4.93 113.62 102.19 2ajx n SER 136 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2ajx n SER 136 Cb 0.34 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.19 2ajx n SER 136 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2ajx s MET 137 N 3.69 1.83 -0.01 4.33 -1.94 -1.26 -0.21 119.30 125.72 2ajx s MET 137 Ca 0.00 -1.41 0.03 0.00 -1.71 0.00 0.00 55.69 52.60 2ajx s MET 137 Cb 0.00 -2.01 -0.00 0.00 2.01 0.00 0.00 34.83 34.82 2ajx s MET 137 CO 0.00 0.41 -0.09 0.54 -0.01 0.00 0.00 175.02 175.88 2ajx s VAL 138 N -1.77 0.69 -0.13 -6.03 0.11 0.18 -4.63 120.40 108.83 2ajx s VAL 138 Ca 0.24 -0.36 -0.02 0.00 -2.93 0.00 0.00 61.98 58.91 2ajx s VAL 138 Cb -0.08 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 2ajx s VAL 138 CO 0.13 0.20 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.14 2ajx s THR 139 N -0.14 3.64 0.45 5.04 2.01 -1.26 -1.09 115.64 124.29 2ajx s THR 139 Ca 0.02 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.59 2ajx s THR 139 Cb -0.04 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 2ajx s THR 139 CO -0.00 0.52 0.07 -0.76 -0.69 0.00 0.00 174.62 173.77 2ajx s LEU 140 N 0.09 2.14 0.00 4.42 1.43 0.51 -4.65 118.68 122.62 2ajx s LEU 140 Ca -0.02 -1.65 -0.20 0.00 -1.03 0.00 0.00 54.13 51.22 2ajx s LEU 140 Cb -0.14 -0.38 0.07 0.00 0.03 0.00 0.00 46.19 45.77 2ajx s LEU 140 CO 0.03 -0.88 0.93 0.61 0.23 0.00 0.00 176.35 177.27 2ajx n GLY 141 N -1.05 0.46 3.02 -3.19 0.00 -0.82 -0.92 105.19 102.68 2ajx n GLY 141 Ca -0.11 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 2ajx n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ajx s LEU 143 N -0.03 3.33 -0.41 0.00 2.96 0.37 -1.46 118.68 123.43 2ajx s LEU 143 Ca -0.01 -0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 53.58 2ajx s LEU 143 Cb -0.01 -1.88 0.07 0.00 0.50 0.00 0.00 46.19 44.87 2ajx s LEU 143 CO 0.00 -0.01 0.26 -0.69 -1.32 0.00 0.00 176.35 174.59 2ajx s VAL 144 N 1.44 4.33 -0.00 1.68 1.01 0.83 -0.55 120.40 129.14 2ajx s VAL 144 Ca 0.05 -1.30 0.08 0.00 0.00 0.00 0.00 61.98 60.81 2ajx s VAL 144 Cb -0.15 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2ajx s VAL 144 CO 0.02 -0.47 -0.25 -0.75 0.00 0.00 0.00 175.10 173.66 2ajx s LYS 145 N 1.46 2.06 -0.69 2.72 2.20 -0.51 -0.59 119.74 126.38 2ajx s LYS 145 Ca 0.03 -0.96 -0.00 0.00 -0.36 0.00 0.00 55.97 54.67 2ajx s LYS 145 Cb -0.22 -2.06 -0.00 0.00 -1.51 0.00 0.00 37.83 34.03 2ajx s LYS 145 CO 0.03 0.55 0.58 0.41 -0.36 0.00 0.00 175.35 176.56 2ajx n GLY 146 N 2.20 -0.06 3.51 5.54 0.00 -0.14 -1.63 105.19 114.62 2ajx n GLY 146 Ca -0.16 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 2ajx n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ajx s TYR 147 N -3.21 2.36 -0.28 1.61 1.13 -0.74 -4.38 117.35 113.85 2ajx s TYR 147 Ca 0.03 -0.40 -0.21 0.00 -1.41 0.00 0.00 57.07 55.08 2ajx s TYR 147 Cb -0.00 -1.19 0.10 0.00 -1.10 0.00 0.00 41.96 39.77 2ajx s TYR 147 CO 0.43 0.65 0.86 0.12 -2.51 0.00 0.00 175.55 175.09 2ajx s PHE 148 N -2.55 -0.73 0.00 -3.49 5.36 -0.24 -0.37 117.98 115.97 2ajx s PHE 148 Ca 0.31 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.88 2ajx s PHE 148 Cb -0.02 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.07 2ajx s PHE 148 CO 0.16 -0.36 0.00 -0.35 -1.46 0.00 0.00 175.22 173.21 2ajx n PRO 149 N 3.21 0.91 -1.91 10.12 -0.04 -1.26 -0.14 135.00 145.89 2ajx n PRO 149 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 2ajx n PRO 149 Cb 0.57 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.04 2ajx n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2ajx s GLU 150 N -1.67 3.39 0.33 0.54 0.41 -1.26 -4.77 118.70 115.66 2ajx s GLU 150 Ca 0.00 0.96 0.03 0.00 -0.41 0.00 0.00 54.97 55.55 2ajx s GLU 150 Cb 0.00 -2.05 0.03 0.00 -1.78 0.00 0.00 34.13 30.33 2ajx s GLU 150 CO 0.00 -0.74 0.21 -0.35 -0.49 0.00 0.00 175.26 173.89 2ajx n PRO 151 N -2.48 1.03 -4.40 0.39 -0.04 -1.26 -4.88 135.00 123.36 2ajx n PRO 151 Ca 0.07 -2.12 -0.24 0.00 -0.04 0.00 0.00 63.50 61.17 2ajx n PRO 151 Cb 0.54 0.28 -0.13 0.00 -0.04 0.00 0.00 33.50 34.14 2ajx n PRO 151 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ajx s VAL 152 N -1.73 1.60 -0.25 0.52 1.01 -1.26 -4.45 120.40 115.84 2ajx s VAL 152 Ca 0.16 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 2ajx s VAL 152 Cb -0.01 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2ajx s VAL 152 CO 0.10 0.02 -0.02 0.42 0.00 0.00 0.00 175.10 175.62 2ajx s THR 153 N -1.03 3.29 -0.16 3.92 -4.23 0.16 -4.95 115.64 112.63 2ajx s THR 153 Ca 0.06 -0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 59.73 2ajx s THR 153 Cb -0.09 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 2ajx s THR 153 CO 0.03 0.22 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.59 2ajx s VAL 154 N 1.41 3.70 0.11 2.29 1.01 -1.26 -1.20 120.40 126.46 2ajx s VAL 154 Ca 0.02 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2ajx s VAL 154 Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2ajx s VAL 154 CO -0.02 0.49 -0.04 0.42 0.00 0.00 0.00 175.10 175.95 2ajx s THR 156 N 0.53 0.58 -0.11 3.92 -4.23 -0.30 -4.98 115.64 111.06 2ajx s THR 156 Ca -0.04 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 2ajx s THR 156 Cb -0.15 -1.80 -0.00 0.00 1.34 0.00 0.00 72.50 71.90 2ajx s THR 156 CO 0.03 -0.76 -0.22 0.26 -0.54 0.00 0.00 174.62 173.39 2ajx s TRP 157 N -3.70 2.61 -1.38 3.99 0.52 -1.26 0.40 118.94 120.12 2ajx s TRP 157 Ca 0.15 -0.97 -0.03 0.00 0.02 0.00 0.00 56.10 55.27 2ajx s TRP 157 Cb 0.06 -1.74 0.02 0.00 -1.15 0.00 0.00 33.47 30.66 2ajx s TRP 157 CO -0.03 -0.38 0.70 0.09 0.02 0.00 0.00 176.95 177.35 2ajx n ASN 162 N 3.53 -1.74 -0.84 2.95 4.13 0.95 -0.99 115.26 123.25 2ajx n ASN 162 Ca -0.19 -0.85 -0.11 0.00 1.68 0.00 0.00 54.58 55.11 2ajx n ASN 162 Cb 0.53 -3.80 -0.05 0.00 -1.54 0.00 0.00 39.78 34.92 2ajx n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2ajx n SER 163 N -2.99 -4.89 0.00 6.41 7.64 -1.26 -2.11 113.62 116.42 2ajx n SER 163 Ca -0.23 0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2ajx n SER 163 Cb 0.65 -3.36 0.00 0.00 -1.01 0.00 0.00 64.21 60.49 2ajx n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ajx n GLY 164 N -0.88 0.75 0.06 0.23 0.00 -0.16 -4.90 105.19 100.29 2ajx n GLY 164 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 2ajx n GLY 164 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ajx n SER 165 N 0.00 0.49 -4.00 1.61 3.41 -0.90 -4.39 113.62 109.85 2ajx n SER 165 Ca 0.00 0.55 -0.31 0.00 -0.26 0.00 0.00 58.87 58.85 2ajx n SER 165 Cb 0.00 -0.68 -0.15 0.00 -0.26 0.00 0.00 64.21 63.12 2ajx n SER 165 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2ajx s LEU 166 N -3.93 3.42 0.00 1.04 0.20 -1.14 -4.93 118.68 113.33 2ajx s LEU 166 Ca 0.12 -1.53 0.00 0.00 0.69 0.00 0.00 54.13 53.41 2ajx s LEU 166 Cb 0.15 -1.41 0.00 0.00 -0.43 0.00 0.00 46.19 44.50 2ajx s LEU 166 CO 0.56 -0.27 0.00 -1.54 -0.29 0.00 0.00 176.35 174.82 2ajx n SER 167 N 4.49 2.40 -4.74 3.68 3.41 -1.26 -4.08 113.62 117.52 2ajx n SER 167 Ca -0.08 -0.12 -0.40 0.00 -0.26 0.00 0.00 58.87 58.00 2ajx n SER 167 Cb 0.43 0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 65.05 2ajx n SER 167 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ajx s SER 168 N -1.21 7.53 -0.40 4.04 1.04 -1.26 -3.61 113.70 119.84 2ajx s SER 168 Ca 0.00 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2ajx s SER 168 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2ajx s SER 168 CO 0.00 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.88 2ajx n GLY 169 N 1.90 0.39 3.57 7.32 0.00 -1.26 -4.77 105.19 112.34 2ajx n GLY 169 Ca -0.00 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 2ajx n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ajx s VAL 171 N -2.19 3.85 -0.25 1.61 1.01 -1.24 -2.14 120.40 121.05 2ajx s VAL 171 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 2ajx s VAL 171 Cb 0.00 -2.61 0.07 0.00 0.00 0.00 0.00 36.38 33.84 2ajx s VAL 171 CO 0.00 0.57 0.03 -1.00 0.00 0.00 0.00 175.10 174.70 2ajx s HIS 172 N -0.47 1.71 -0.35 5.22 3.76 -0.29 -4.98 115.29 119.89 2ajx s HIS 172 Ca 0.07 -1.46 -0.10 0.00 -0.15 0.00 0.00 55.06 53.42 2ajx s HIS 172 Cb -0.12 -1.46 0.01 0.00 1.11 0.00 0.00 32.58 32.12 2ajx s HIS 172 CO 0.02 -0.75 0.18 0.99 -0.85 0.00 0.00 174.74 174.33 2ajx s THR 173 N 1.62 4.60 0.52 1.30 2.01 -1.26 -0.18 115.64 124.25 2ajx s THR 173 Ca 0.02 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 2ajx s THR 173 Cb -0.18 -3.47 -0.07 0.00 0.01 0.00 0.00 72.50 68.79 2ajx s THR 173 CO -0.13 -0.11 1.00 -0.36 -0.69 0.00 0.00 174.62 174.34 2ajx s PHE 174 N 1.58 3.27 0.41 4.92 0.40 -0.24 -5.00 117.98 123.32 2ajx s PHE 174 Ca 0.03 1.51 -0.27 0.00 -0.60 0.00 0.00 56.93 57.60 2ajx s PHE 174 Cb -0.18 -2.88 -0.10 0.00 0.51 0.00 0.00 43.02 40.37 2ajx s PHE 174 CO 0.07 -0.56 1.44 -2.14 0.70 0.00 0.00 175.22 174.73 2ajx s PRO 175 N -3.85 3.94 0.69 0.24 0.02 -1.26 -4.47 135.00 130.31 2ajx s PRO 175 Ca 0.61 2.47 -0.13 0.00 0.02 0.00 0.00 61.00 63.97 2ajx s PRO 175 Cb -0.12 -2.83 0.01 0.00 0.02 0.00 0.00 34.50 31.58 2ajx s PRO 175 CO 0.29 -0.63 1.09 0.00 -0.33 0.00 0.00 177.00 177.42 2ajx s ALA 176 N -1.16 2.45 -0.06 -1.55 0.00 -1.26 -4.83 121.76 115.35 2ajx s ALA 176 Ca 0.56 0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.97 2ajx s ALA 176 Cb -0.45 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 2ajx s ALA 176 CO 0.59 -1.37 -0.19 0.08 0.00 0.00 0.00 175.76 174.87 2ajx s VAL 177 N -2.59 2.63 -0.16 0.00 1.01 -0.22 -4.93 120.40 116.14 2ajx s VAL 177 Ca 0.64 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 2ajx s VAL 177 Cb -0.18 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2ajx s VAL 177 CO 0.47 0.58 0.13 -0.22 0.00 0.00 0.00 175.10 176.05 2ajx s LEU 178 N -0.43 4.25 -0.26 3.92 2.96 -1.26 -1.81 118.68 126.04 2ajx s LEU 178 Ca 0.05 0.33 -0.13 0.00 -0.22 0.00 0.00 54.13 54.16 2ajx s LEU 178 Cb -0.12 -2.06 0.09 0.00 0.50 0.00 0.00 46.19 44.59 2ajx s LEU 178 CO 0.02 0.30 0.62 -1.58 -1.32 0.00 0.00 176.35 174.39 2ajx s GLN 179 N -0.36 0.61 -1.38 1.98 0.74 0.12 -4.95 119.66 116.42 2ajx s GLN 179 Ca 0.11 1.19 -0.04 0.00 0.05 0.00 0.00 55.36 56.67 2ajx s GLN 179 Cb -0.12 0.26 0.02 0.00 1.10 0.00 0.00 33.01 34.27 2ajx s GLN 179 CO 0.01 -0.17 0.72 0.43 -0.55 0.00 0.00 175.29 175.74 2ajx n SER 180 N 4.57 -1.89 -1.62 6.67 7.64 -1.26 -0.86 113.62 126.88 2ajx n SER 180 Ca -0.18 -0.84 -0.20 0.00 1.01 0.00 0.00 58.87 58.65 2ajx n SER 180 Cb 0.56 -3.83 -0.08 0.00 -1.01 0.00 0.00 64.21 59.85 2ajx n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ajx n ASP 183 N -2.99 -5.29 -4.05 6.43 9.92 -1.26 -4.97 116.55 114.34 2ajx n ASP 183 Ca -0.22 0.48 -0.18 0.00 -0.53 0.00 0.00 54.79 54.34 2ajx n ASP 183 Cb 0.64 -4.68 -0.14 0.00 -0.64 0.00 0.00 41.12 36.30 2ajx n ASP 183 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2ajx s LEU 184 N -4.71 2.08 0.08 0.64 1.43 -0.04 -4.76 118.68 113.41 2ajx s LEU 184 Ca 0.00 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2ajx s LEU 184 Cb 0.00 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 2ajx s LEU 184 CO 0.00 0.05 0.19 -0.31 0.23 0.00 0.00 176.35 176.51 2ajx s TYR 185 N -0.51 3.43 -0.03 0.29 2.02 0.50 -0.70 117.35 122.35 2ajx s TYR 185 Ca 0.01 0.18 -0.02 0.00 -0.37 0.00 0.00 57.07 56.87 2ajx s TYR 185 Cb -0.05 -1.70 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 2ajx s TYR 185 CO 0.00 0.56 0.07 0.99 -1.57 0.00 0.00 175.55 175.60 2ajx s THR 186 N -1.54 -0.01 0.09 -0.71 2.01 -0.75 -0.96 115.64 113.77 2ajx s THR 186 Ca 0.34 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.25 2ajx s THR 186 Cb -0.12 -0.11 0.01 0.00 0.01 0.00 0.00 72.50 72.29 2ajx s THR 186 CO 0.27 0.01 0.27 -0.22 -0.69 0.00 0.00 174.62 174.26 2ajx s LEU 187 N 0.19 1.03 0.15 4.42 0.20 0.25 -1.05 118.68 123.86 2ajx s LEU 187 Ca -0.01 -0.47 0.05 0.00 0.69 0.00 0.00 54.13 54.39 2ajx s LEU 187 Cb -0.02 1.32 -0.04 0.00 -0.43 0.00 0.00 46.19 47.02 2ajx s LEU 187 CO -0.01 -0.74 -0.11 0.42 -0.29 0.00 0.00 176.35 175.63 2ajx s THR 188 N -3.58 1.25 -0.01 3.68 -4.23 -1.26 -0.12 115.64 111.36 2ajx s THR 188 Ca 0.02 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2ajx s THR 188 Cb 0.03 -1.86 0.01 0.00 1.34 0.00 0.00 72.50 72.02 2ajx s THR 188 CO -0.10 -0.72 -0.00 -0.55 -0.54 0.00 0.00 174.62 172.71 2ajx s SER 189 N -3.17 0.21 0.17 3.99 0.15 -0.54 -1.07 113.70 113.45 2ajx s SER 189 Ca 0.17 -0.01 0.09 0.00 0.70 0.00 0.00 55.95 56.90 2ajx s SER 189 Cb 0.02 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 2ajx s SER 189 CO 0.01 -0.04 -0.12 -0.94 1.20 0.00 0.00 173.24 173.35 2ajx s SER 190 N 0.44 4.12 -0.04 5.45 1.04 0.75 -1.28 113.70 124.18 2ajx s SER 190 Ca -0.04 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.77 2ajx s SER 190 Cb -0.06 -0.65 0.02 0.00 0.10 0.00 0.00 66.02 65.43 2ajx s SER 190 CO -0.01 0.12 0.09 0.54 0.98 0.00 0.00 173.24 174.96 2ajx s VAL 191 N -1.61 -0.03 -0.12 5.02 0.11 -0.10 -1.14 120.40 122.53 2ajx s VAL 191 Ca 0.23 0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.42 2ajx s VAL 191 Cb -0.09 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.61 2ajx s VAL 191 CO 0.14 0.04 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.84 2ajx s THR 192 N 0.63 2.17 0.16 5.04 2.01 -0.91 -0.36 115.64 124.38 2ajx s THR 192 Ca -0.05 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.00 2ajx s THR 192 Cb -0.07 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2ajx s THR 192 CO -0.03 0.55 0.01 0.68 -0.69 0.00 0.00 174.62 175.14 2ajx s VAL 193 N 0.50 0.59 0.17 3.82 -7.23 -0.25 -4.80 120.40 113.20 2ajx s VAL 193 Ca -0.14 -1.97 -0.32 0.00 -1.81 0.00 0.00 61.98 57.74 2ajx s VAL 193 Cb -0.17 -2.08 -0.12 0.00 0.56 0.00 0.00 36.38 34.57 2ajx s VAL 193 CO 0.05 -0.50 1.74 -2.65 -0.31 0.00 0.00 175.10 173.43 2ajx n PRO 194 N -0.21 2.67 0.22 4.82 -0.02 -1.26 -0.65 135.00 140.57 2ajx n PRO 194 Ca -0.07 0.97 0.18 0.00 -2.02 0.00 0.00 63.50 62.56 2ajx n PRO 194 Cb 0.63 -2.82 0.84 0.00 -0.02 0.00 0.00 33.50 32.14 2ajx n PRO 194 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2ajx h SER 195 N 7.22 0.00 0.66 2.55 4.64 -0.85 0.19 113.55 127.95 2ajx h SER 195 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2ajx h SER 195 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2ajx h SER 195 CO 0.94 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 176.66 2ajx n SER 196 N -3.50 0.22 -0.56 4.97 2.88 -1.26 -2.90 113.62 113.47 2ajx n SER 196 Ca 0.02 0.55 0.08 0.00 -1.33 0.00 0.00 58.87 58.19 2ajx n SER 196 Cb 0.39 -0.60 0.05 0.00 -0.75 0.00 0.00 64.21 63.30 2ajx n SER 196 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2ajx n THR 199 N -1.74 0.00 -4.37 2.46 -2.24 0.65 -4.78 114.28 104.25 2ajx n THR 199 Ca 0.04 -0.45 -0.19 0.00 -2.27 0.00 0.00 64.05 61.17 2ajx n THR 199 Cb 0.21 1.29 -0.15 0.00 -2.10 0.00 0.00 70.33 69.59 2ajx n THR 199 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2ajx s TRP 200 N -1.49 0.87 -1.50 4.78 -0.00 -1.14 0.76 118.94 121.21 2ajx s TRP 200 Ca 0.17 -0.19 0.05 0.00 -0.00 0.00 0.00 56.10 56.13 2ajx s TRP 200 Cb 0.13 -0.59 0.19 0.00 -0.00 0.00 0.00 33.47 33.20 2ajx s TRP 200 CO 0.25 -0.06 1.01 -0.35 -0.00 0.00 0.00 176.95 177.81 2ajx n PRO 202 N 3.08 1.69 -0.20 5.86 -0.04 -1.26 -4.88 135.00 139.24 2ajx n PRO 202 Ca -0.16 -0.75 -0.07 0.00 -0.04 0.00 0.00 63.50 62.48 2ajx n PRO 202 Cb 0.56 -1.38 0.03 0.00 -0.04 0.00 0.00 33.50 32.67 2ajx n PRO 202 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ajx h SER 203 N 1.10 0.72 -3.53 3.54 4.64 -1.86 -3.40 113.55 114.76 2ajx h SER 203 Ca 0.00 -0.09 -0.62 0.00 -0.47 0.00 0.00 61.79 60.61 2ajx h SER 203 Cb 0.52 -0.18 -0.15 0.00 -0.31 0.00 0.00 62.40 62.28 2ajx h SER 203 CO 0.05 0.60 -0.51 -1.10 -0.87 0.00 0.00 176.83 175.00 2ajx s GLN 204 N -5.88 4.06 0.50 4.77 -1.52 0.23 -5.06 119.66 116.76 2ajx s GLN 204 Ca -0.13 -0.28 -0.23 0.00 -1.95 0.00 0.00 55.36 52.77 2ajx s GLN 204 Cb 0.13 -3.50 -0.07 0.00 -0.22 0.00 0.00 33.01 29.35 2ajx s GLN 204 CO 0.77 0.09 1.39 0.25 -0.25 0.00 0.00 175.29 177.55 2ajx n THR 205 N 4.17 3.32 -3.95 -0.19 -2.24 -1.26 -4.54 114.28 109.59 2ajx n THR 205 Ca -0.15 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 60.89 2ajx n THR 205 Cb 0.52 -1.75 -0.17 0.00 -2.10 0.00 0.00 70.33 66.83 2ajx n THR 205 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2ajx s VAL 206 N -1.24 0.68 -0.02 2.28 1.01 -1.26 -5.02 120.40 116.83 2ajx s VAL 206 Ca 0.66 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.57 2ajx s VAL 206 Cb -0.43 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 2ajx s VAL 206 CO 0.53 0.30 -0.10 -0.89 0.00 0.00 0.00 175.10 174.94 2ajx s THR 207 N 1.59 0.81 -0.15 3.92 2.01 -1.26 -1.43 115.64 121.13 2ajx s THR 207 Ca 0.00 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.52 2ajx s THR 207 Cb -0.13 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 2ajx s THR 207 CO -0.05 0.24 0.08 0.00 -0.69 0.00 0.00 174.62 174.20 2ajx s ASN 209 N -0.22 5.02 -0.22 0.00 -0.87 0.16 -1.28 114.94 117.54 2ajx s ASN 209 Ca 0.09 -0.17 0.02 0.00 -1.57 0.00 0.00 52.86 51.22 2ajx s ASN 209 Cb -0.12 -1.87 0.04 0.00 -0.02 0.00 0.00 41.25 39.28 2ajx s ASN 209 CO 0.01 0.04 -0.13 -0.69 -2.57 0.00 0.00 177.10 173.76 2ajx s VAL 210 N 1.15 1.94 -0.06 1.60 1.01 0.78 -1.14 120.40 125.67 2ajx s VAL 210 Ca 0.03 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 60.80 2ajx s VAL 210 Cb -0.14 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2ajx s VAL 210 CO 0.02 0.19 -0.06 0.00 0.00 0.00 0.00 175.10 175.25 2ajx s ALA 211 N 1.26 3.01 -0.43 5.51 0.00 -0.34 -0.68 121.76 130.09 2ajx s ALA 211 Ca -0.03 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2ajx s ALA 211 Cb -0.17 -1.24 0.13 0.00 0.00 0.00 0.00 23.12 21.84 2ajx s ALA 211 CO -0.08 0.58 0.21 -1.58 0.00 0.00 0.00 175.76 174.88 2ajx s HIS 212 N -0.83 2.31 0.23 0.00 2.46 -0.47 -0.67 115.29 118.32 2ajx s HIS 212 Ca 0.13 -2.51 -0.09 0.00 0.47 0.00 0.00 55.06 53.06 2ajx s HIS 212 Cb -0.11 -2.12 0.36 0.00 -0.13 0.00 0.00 32.58 30.59 2ajx s HIS 212 CO 0.02 -0.80 1.64 -1.35 -2.47 0.00 0.00 174.74 171.77 2ajx h PRO 213 N 6.96 0.08 -0.34 2.88 0.11 -1.81 -1.97 132.00 137.91 2ajx h PRO 213 Ca -0.04 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.16 2ajx h PRO 213 Cb 0.94 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2ajx h PRO 213 CO 0.52 0.05 0.26 0.00 -0.21 0.00 0.00 178.00 178.62 2ajx h ALA 214 N 1.67 2.26 -0.14 -0.75 0.00 -1.92 -2.15 119.26 118.24 2ajx h ALA 214 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2ajx h ALA 214 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ajx h ALA 214 CO -0.64 -0.43 0.00 -1.13 0.00 0.00 0.00 179.25 177.05 2ajx n SER 215 N -4.32 2.36 -3.84 0.00 3.41 -0.82 -4.99 113.62 105.42 2ajx n SER 215 Ca 0.05 -1.67 -0.28 0.00 -0.26 0.00 0.00 58.87 56.70 2ajx n SER 215 Cb 0.43 -0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 2ajx n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ajx n SER 216 N 0.68 -4.51 -4.50 4.04 7.64 -0.81 -4.99 113.62 111.17 2ajx n SER 216 Ca 0.09 -0.75 -0.25 0.00 1.01 0.00 0.00 58.87 58.96 2ajx n SER 216 Cb 0.36 -4.06 -0.10 0.00 -1.01 0.00 0.00 64.21 59.39 2ajx n SER 216 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ajx s THR 217 N -3.35 2.74 -0.21 0.44 -4.23 -1.13 -5.02 115.64 104.87 2ajx s THR 217 Ca 0.56 -2.05 -0.12 0.00 -1.18 0.00 0.00 61.69 58.91 2ajx s THR 217 Cb -0.28 -2.38 0.07 0.00 1.34 0.00 0.00 72.50 71.25 2ajx s THR 217 CO 0.81 -0.24 0.52 -0.75 -0.54 0.00 0.00 174.62 174.43 2ajx s LYS 218 N -3.10 0.52 -0.03 3.99 2.36 -1.26 -1.37 119.74 120.85 2ajx s LYS 218 Ca 0.26 0.96 0.06 0.00 -2.55 0.00 0.00 55.97 54.69 2ajx s LYS 218 Cb -0.07 0.05 -0.01 0.00 -1.05 0.00 0.00 37.83 36.75 2ajx s LYS 218 CO 0.14 -0.15 -0.20 0.08 1.55 0.00 0.00 175.35 176.77 2ajx s VAL 219 N 1.46 1.62 -0.23 4.02 1.01 0.14 -4.97 120.40 123.45 2ajx s VAL 219 Ca -0.09 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2ajx s VAL 219 Cb -0.07 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.98 2ajx s VAL 219 CO -0.15 0.46 -0.12 -1.81 0.00 0.00 0.00 175.10 173.48 2ajx s ASP 220 N -0.27 3.93 -0.27 3.32 1.01 -1.26 -0.15 116.67 122.98 2ajx s ASP 220 Ca 0.02 -0.92 0.01 0.00 0.71 0.00 0.00 52.55 52.37 2ajx s ASP 220 Cb -0.10 -1.57 0.05 0.00 1.01 0.00 0.00 42.92 42.31 2ajx s ASP 220 CO 0.01 -0.10 -0.07 -0.75 0.21 0.00 0.00 175.17 174.47 2ajx s LYS 221 N 1.26 2.40 0.16 8.23 2.47 -0.40 -4.97 119.74 128.88 2ajx s LYS 221 Ca -0.00 -1.26 -0.30 0.00 -1.56 0.00 0.00 55.97 52.85 2ajx s LYS 221 Cb -0.16 -2.98 -0.07 0.00 -1.46 0.00 0.00 37.83 33.16 2ajx s LYS 221 CO -0.08 -0.55 0.99 0.21 0.16 0.00 0.00 175.35 176.09 2ajx s LYS 222 N 1.18 4.71 -0.34 4.03 2.20 -1.26 -1.54 119.74 128.71 2ajx s LYS 222 Ca -0.06 1.53 -0.21 0.00 -0.36 0.00 0.00 55.97 56.88 2ajx s LYS 222 Cb -0.19 -3.33 -0.00 0.00 -1.51 0.00 0.00 37.83 32.80 2ajx s LYS 222 CO -0.04 0.24 0.65 0.42 -0.36 0.00 0.00 175.35 176.26 2ajx s ILE 223 N -0.34 4.89 0.13 5.43 -1.09 -0.51 -4.94 121.20 124.77 2ajx s ILE 223 Ca 0.46 0.70 0.09 0.00 -2.23 0.00 0.00 60.65 59.67 2ajx s ILE 223 Cb -0.26 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 2ajx s ILE 223 CO 0.32 -0.27 -0.16 0.68 -1.23 0.00 0.00 174.94 174.28 2ajx s VAL 226 N 2.72 2.95 0.57 2.92 -7.23 -1.26 -4.66 120.40 116.41 2ajx s VAL 226 Ca 0.25 -1.55 -0.20 0.00 -1.81 0.00 0.00 61.98 58.67 2ajx s VAL 226 Cb -0.14 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2ajx s VAL 226 CO 0.14 0.04 1.31 -2.84 -0.31 0.00 0.00 175.10 173.44 2ajx s PRO 227 N -2.34 2.99 0.00 4.82 0.02 -1.26 -4.80 135.00 134.43 2ajx s PRO 227 Ca 0.20 2.11 0.16 0.00 0.02 0.00 0.00 61.00 63.50 2ajx s PRO 227 Cb -0.10 -2.11 0.13 0.00 0.02 0.00 0.00 34.50 32.44 2ajx s PRO 227 CO 0.12 -1.27 1.02 2.89 -0.33 0.00 0.00 177.00 179.42