#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v44 s LEU 20 N 0.00 4.37 -0.15 0.00 1.43 -1.26 -0.69 118.68 122.38 2v44 s LEU 20 Ca 0.00 -0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 52.75 2v44 s LEU 20 Cb 0.00 -2.73 -0.25 0.00 0.03 0.00 0.00 46.19 43.25 2v44 s LEU 20 CO 0.00 -0.65 0.65 -0.07 0.23 0.00 0.00 176.35 176.52 2v44 h LEU 21 N 9.45 0.02 -7.04 1.79 4.07 -0.97 -3.49 115.31 119.15 2v44 h LEU 21 Ca -0.26 -0.89 -0.05 0.00 0.08 0.00 0.00 57.88 56.76 2v44 h LEU 21 Cb 1.11 -0.01 -0.21 0.00 1.08 0.00 0.00 40.66 42.63 2v44 h LEU 21 CO 0.85 1.13 0.08 -1.58 -1.08 0.00 0.00 178.44 177.83 2v44 s GLN 22 N -2.26 0.78 -0.18 1.13 0.74 -1.08 -5.00 119.66 113.80 2v44 s GLN 22 Ca -0.21 0.96 -0.01 0.00 0.05 0.00 0.00 55.36 56.15 2v44 s GLN 22 Cb -0.01 0.37 -0.00 0.00 1.10 0.00 0.00 33.01 34.47 2v44 s GLN 22 CO 0.68 -0.10 -0.13 0.08 -0.55 0.00 0.00 175.29 175.27 2v44 s VAL 23 N 0.44 2.78 0.05 1.34 1.01 -1.26 -0.53 120.40 124.23 2v44 s VAL 23 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2v44 s VAL 23 Cb -0.05 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2v44 s VAL 23 CO -0.00 0.50 -0.04 0.42 0.00 0.00 0.00 175.10 175.97 2v44 s THR 24 N 1.05 0.29 -0.05 3.92 -4.23 -0.58 -4.53 115.64 111.50 2v44 s THR 24 Ca -0.01 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 2v44 s THR 24 Cb -0.15 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.67 2v44 s THR 24 CO -0.03 -0.73 -0.07 -0.63 -0.54 0.00 0.00 174.62 172.61 2v44 s ILE 25 N -2.72 3.65 0.20 2.99 1.01 -1.26 -0.06 121.20 125.00 2v44 s ILE 25 Ca -0.02 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 2v44 s ILE 25 Cb -0.01 -2.51 0.14 0.00 0.01 0.00 0.00 42.46 40.09 2v44 s ILE 25 CO -0.05 0.54 1.70 0.77 0.00 0.00 0.00 174.94 177.90 2v44 h SER 26 N 5.05 -0.08 -3.08 3.58 4.64 -1.35 -3.42 113.55 118.89 2v44 h SER 26 Ca -0.48 0.11 -0.62 0.00 -0.47 0.00 0.00 61.79 60.32 2v44 h SER 26 Cb 1.17 0.17 -0.13 0.00 -0.31 0.00 0.00 62.40 63.30 2v44 h SER 26 CO 0.53 -0.02 -0.68 -0.76 -0.87 0.00 0.00 176.83 175.02 2v44 s LEU 27 N -10.53 3.22 -0.22 5.97 1.43 -1.26 -5.04 118.68 112.25 2v44 s LEU 27 Ca -0.13 -0.40 0.11 0.00 -1.03 0.00 0.00 54.13 52.68 2v44 s LEU 27 Cb 0.17 -1.92 -0.21 0.00 0.03 0.00 0.00 46.19 44.26 2v44 s LEU 27 CO 0.73 0.12 -0.06 -1.54 0.23 0.00 0.00 176.35 175.83 2v44 n SER 28 N 0.14 0.95 -3.75 2.29 3.41 -1.26 -4.69 113.62 110.71 2v44 n SER 28 Ca -0.11 -0.06 -0.12 0.00 -0.26 0.00 0.00 58.87 58.32 2v44 n SER 28 Cb 0.54 0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 64.74 2v44 n SER 28 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2v44 s LYS 29 N -2.50 0.26 0.00 4.33 2.47 -1.26 -1.04 119.74 122.00 2v44 s LYS 29 Ca -0.21 0.47 0.00 0.00 -1.56 0.00 0.00 55.97 54.68 2v44 s LYS 29 Cb 0.07 -0.00 -0.00 0.00 -1.46 0.00 0.00 37.83 36.43 2v44 s LYS 29 CO 0.72 -0.11 -0.02 0.14 0.16 0.00 0.00 175.35 176.24 2v44 s VAL 30 N 0.80 0.12 -0.05 4.02 -7.23 -0.45 -4.97 120.40 112.65 2v44 s VAL 30 Ca -0.05 -0.22 0.03 0.00 -1.81 0.00 0.00 61.98 59.92 2v44 s VAL 30 Cb -0.07 -0.14 -0.03 0.00 0.56 0.00 0.00 36.38 36.71 2v44 s VAL 30 CO -0.05 -0.07 -0.12 -1.61 -0.31 0.00 0.00 175.10 172.94 2v44 s GLU 31 N -0.31 2.56 0.15 4.82 8.01 -1.26 -0.94 118.70 131.73 2v44 s GLU 31 Ca -0.02 -0.66 -0.15 0.00 0.01 0.00 0.00 54.97 54.15 2v44 s GLU 31 Cb -0.02 -2.44 0.03 0.00 -4.31 0.00 0.00 34.13 27.38 2v44 s GLU 31 CO -0.00 0.63 0.41 -0.48 0.01 0.00 0.00 175.26 175.83 2v44 s LEU 32 N -0.79 0.45 0.25 1.80 2.34 -0.39 -4.97 118.68 117.36 2v44 s LEU 32 Ca 0.12 -0.45 -0.00 0.00 0.06 0.00 0.00 54.13 53.86 2v44 s LEU 32 Cb -0.11 1.79 -0.04 0.00 -0.56 0.00 0.00 46.19 47.27 2v44 s LEU 32 CO 0.01 -0.90 0.45 -0.94 -1.06 0.00 0.00 176.35 173.90 2v44 s SER 33 N -2.85 6.36 0.16 1.48 1.04 -1.26 -1.50 113.70 117.13 2v44 s SER 33 Ca 0.06 0.41 -0.34 0.00 0.48 0.00 0.00 55.95 56.57 2v44 s SER 33 Cb 0.01 -2.01 -0.15 0.00 0.10 0.00 0.00 66.02 63.97 2v44 s SER 33 CO -0.08 -0.13 1.27 0.52 0.98 0.00 0.00 173.24 175.80 2v44 n VAL 34 N -1.05 0.63 0.00 5.02 0.31 -0.26 -0.98 118.33 122.00 2v44 n VAL 34 Ca -0.05 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2v44 n VAL 34 Cb 0.55 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 2v44 n VAL 34 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2v44 n GLY 35 N 2.25 3.35 3.82 2.92 0.00 0.96 -4.89 105.19 113.61 2v44 n GLY 35 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2v44 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2v44 s GLU 36 N -0.70 3.47 0.00 1.61 2.12 -0.15 -3.99 118.70 121.07 2v44 s GLU 36 Ca 0.00 1.05 0.04 0.00 0.36 0.00 0.00 54.97 56.42 2v44 s GLU 36 Cb 0.00 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.30 2v44 s GLU 36 CO 0.00 -0.68 -0.09 -1.12 -0.54 0.00 0.00 175.26 172.83 2v44 s SER 37 N -3.17 4.43 0.01 -1.70 0.01 -1.26 -0.76 113.70 111.26 2v44 s SER 37 Ca 0.60 -0.20 -0.10 0.00 1.31 0.00 0.00 55.95 57.57 2v44 s SER 37 Cb -0.13 -0.98 0.01 0.00 0.21 0.00 0.00 66.02 65.13 2v44 s SER 37 CO 0.40 0.28 0.20 -0.54 0.41 0.00 0.00 173.24 174.00 2v44 s LYS 38 N -1.35 0.61 0.19 12.44 -0.14 -0.39 -4.98 119.74 126.12 2v44 s LYS 38 Ca 0.16 -0.43 0.08 0.00 -1.36 0.00 0.00 55.97 54.42 2v44 s LYS 38 Cb -0.11 0.26 -0.04 0.00 -1.68 0.00 0.00 37.83 36.25 2v44 s LYS 38 CO 0.06 -0.16 -0.16 -0.59 -0.76 0.00 0.00 175.35 173.74 2v44 s PHE 39 N -1.81 1.73 0.02 3.18 -0.12 -1.26 -0.50 117.98 119.22 2v44 s PHE 39 Ca -0.11 -0.54 0.02 0.00 -0.05 0.00 0.00 56.93 56.25 2v44 s PHE 39 Cb -0.05 -0.82 -0.01 0.00 -0.63 0.00 0.00 43.02 41.51 2v44 s PHE 39 CO 0.00 0.34 -0.06 -0.06 -0.05 0.00 0.00 175.22 175.40 2v44 s PHE 40 N -2.64 0.50 -0.16 3.49 0.08 0.55 -4.98 117.98 114.81 2v44 s PHE 40 Ca 0.20 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.98 2v44 s PHE 40 Cb -0.03 -0.31 0.00 0.00 -0.57 0.00 0.00 43.02 42.11 2v44 s PHE 40 CO 0.07 -0.05 -0.15 0.99 -0.10 0.00 0.00 175.22 175.97 2v44 s THR 41 N -0.69 2.63 -0.21 0.64 2.01 -1.26 -0.81 115.64 117.95 2v44 s THR 41 Ca -0.04 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 2v44 s THR 41 Cb -0.05 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 2v44 s THR 41 CO -0.00 0.51 0.13 0.00 -0.69 0.00 0.00 174.62 174.57 2v44 s THR 43 N 0.50 2.75 -0.65 0.00 2.01 0.91 -0.68 115.64 120.48 2v44 s THR 43 Ca 0.07 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 2v44 s THR 43 Cb -0.12 -2.17 0.16 0.00 0.01 0.00 0.00 72.50 70.38 2v44 s THR 43 CO -0.01 0.51 0.46 0.00 -0.69 0.00 0.00 174.62 174.89 2v44 s ALA 44 N 0.89 3.63 0.14 7.40 0.00 0.10 -1.53 121.76 132.39 2v44 s ALA 44 Ca -0.04 -3.38 -0.31 0.00 0.00 0.00 0.00 51.96 48.24 2v44 s ALA 44 Cb -0.15 -2.58 -0.08 0.00 0.00 0.00 0.00 23.12 20.30 2v44 s ALA 44 CO -0.01 -2.10 1.38 0.42 0.00 0.00 0.00 175.76 175.45 2v44 s ILE 45 N -0.35 3.25 -0.05 0.00 1.01 0.31 -4.51 121.20 120.86 2v44 s ILE 45 Ca 0.19 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.76 2v44 s ILE 45 Cb -0.19 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2v44 s ILE 45 CO -0.04 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2v44 n GLY 46 N 3.24 0.10 2.51 6.18 0.00 -1.26 -0.23 105.19 115.73 2v44 n GLY 46 Ca 0.10 -1.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.09 2v44 n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2v44 n GLU 47 N 0.00 1.67 -2.38 1.61 1.02 0.13 -4.97 120.64 117.71 2v44 n GLU 47 Ca 0.00 -4.14 -0.39 0.00 -0.02 0.00 0.00 57.16 52.61 2v44 n GLU 47 Cb 0.00 -1.99 -0.03 0.00 -0.02 0.00 0.00 31.44 29.40 2v44 n GLU 47 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2v44 s PRO 48 N -1.60 4.26 -0.14 3.49 0.04 -1.26 -4.57 135.00 135.22 2v44 s PRO 48 Ca 0.34 1.79 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 2v44 s PRO 48 Cb 0.08 -2.82 -0.25 0.00 0.04 0.00 0.00 34.50 31.56 2v44 s PRO 48 CO -0.10 -0.13 0.36 1.49 0.04 0.00 0.00 177.00 178.66 2v44 h GLU 49 N 2.98 0.21 -5.08 4.56 4.81 -0.40 -3.48 114.58 118.18 2v44 h GLU 49 Ca -0.48 -0.35 -0.35 0.00 -0.13 0.00 0.00 59.36 58.04 2v44 h GLU 49 Cb 1.22 0.13 -0.20 0.00 0.63 0.00 0.00 28.75 30.54 2v44 h GLU 49 CO 0.64 1.17 -0.75 -1.12 -0.73 0.00 0.00 179.01 178.22 2v44 s SER 50 N -7.01 1.50 -0.09 1.04 0.01 -0.93 -5.00 113.70 103.22 2v44 s SER 50 Ca -0.23 -0.70 -0.01 0.00 1.31 0.00 0.00 55.95 56.31 2v44 s SER 50 Cb 0.06 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.31 2v44 s SER 50 CO 0.73 -0.18 -0.01 -0.63 0.41 0.00 0.00 173.24 173.56 2v44 s ILE 51 N -1.84 0.51 0.18 1.44 1.01 -1.26 -1.08 121.20 120.15 2v44 s ILE 51 Ca 0.01 0.01 0.08 0.00 0.00 0.00 0.00 60.65 60.75 2v44 s ILE 51 Cb -0.07 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 2v44 s ILE 51 CO 0.01 0.26 -0.17 -1.81 0.00 0.00 0.00 174.94 173.23 2v44 s ASP 52 N 1.92 2.62 0.05 3.58 1.01 -0.04 -4.93 116.67 120.88 2v44 s ASP 52 Ca 0.05 -0.91 0.06 0.00 0.71 0.00 0.00 52.55 52.45 2v44 s ASP 52 Cb -0.13 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.62 2v44 s ASP 52 CO -0.06 -0.08 -0.10 0.26 0.21 0.00 0.00 175.17 175.39 2v44 s TRP 53 N -2.36 2.76 -0.05 4.23 0.52 -1.26 -0.46 118.94 122.32 2v44 s TRP 53 Ca 0.18 -0.13 0.05 0.00 0.02 0.00 0.00 56.10 56.22 2v44 s TRP 53 Cb -0.04 -1.51 -0.01 0.00 -1.15 0.00 0.00 33.47 30.77 2v44 s TRP 53 CO 0.07 0.37 -0.22 0.71 0.02 0.00 0.00 176.95 177.90 2v44 s TYR 54 N -1.07 2.13 0.88 -1.98 2.02 0.26 -0.50 117.35 119.09 2v44 s TYR 54 Ca 0.18 -0.62 -0.12 0.00 -0.37 0.00 0.00 57.07 56.15 2v44 s TYR 54 Cb -0.11 -1.41 0.17 0.00 -0.40 0.00 0.00 41.96 40.21 2v44 s TYR 54 CO 0.10 -0.19 1.22 0.54 -1.57 0.00 0.00 175.55 175.65 2v44 s ASN 55 N -0.10 3.61 0.55 2.29 2.20 -0.57 -1.20 114.94 121.72 2v44 s ASN 55 Ca -0.03 0.18 0.37 0.00 -0.94 0.00 0.00 52.86 52.44 2v44 s ASN 55 Cb -0.13 -0.38 1.88 0.00 -2.00 0.00 0.00 41.25 40.62 2v44 s ASN 55 CO 0.03 -2.40 2.12 -0.65 -2.94 0.00 0.00 177.10 173.25 2v44 h PRO 56 N -1.29 0.00 -0.00 3.55 0.11 -1.85 0.31 132.00 132.84 2v44 h PRO 56 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2v44 h PRO 56 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2v44 h PRO 56 CO 0.42 0.00 -0.05 1.04 -0.21 0.00 0.00 178.00 179.21 2v44 n GLN 57 N -2.88 0.98 -0.59 1.05 3.00 -1.26 -4.87 117.38 112.81 2v44 n GLN 57 Ca -0.02 -0.30 0.00 0.00 -0.01 0.00 0.00 57.00 56.67 2v44 n GLN 57 Cb 0.13 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.88 2v44 n GLN 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2v44 n GLY 58 N 1.17 0.77 3.79 1.08 0.00 0.10 -5.05 105.19 107.05 2v44 n GLY 58 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2v44 n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2v44 s GLU 59 N -0.41 4.43 0.17 1.61 2.02 -1.26 -4.78 118.70 120.49 2v44 s GLU 59 Ca 0.00 1.06 -0.31 0.00 0.02 0.00 0.00 54.97 55.74 2v44 s GLU 59 Cb 0.00 -3.03 -0.10 0.00 0.10 0.00 0.00 34.13 31.10 2v44 s GLU 59 CO 0.00 0.46 1.51 0.21 0.02 0.00 0.00 175.26 177.45 2v44 s LYS 60 N -1.63 4.25 -0.25 1.61 2.20 -1.26 -1.52 119.74 123.14 2v44 s LYS 60 Ca 0.41 2.29 -0.28 0.00 -0.36 0.00 0.00 55.97 58.03 2v44 s LYS 60 Cb -0.20 -3.16 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 2v44 s LYS 60 CO 0.24 -0.53 1.02 0.42 -0.36 0.00 0.00 175.35 176.13 2v44 s ILE 61 N 0.88 4.67 -0.25 5.43 1.01 0.34 -4.92 121.20 128.37 2v44 s ILE 61 Ca 0.67 1.91 -0.10 0.00 0.00 0.00 0.00 60.65 63.13 2v44 s ILE 61 Cb -0.42 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 37.70 2v44 s ILE 61 CO 0.34 -0.22 0.14 -0.63 0.00 0.00 0.00 174.94 174.57 2v44 s ILE 62 N 3.23 5.04 0.22 2.92 1.01 -1.26 -4.73 121.20 127.63 2v44 s ILE 62 Ca 0.43 0.07 -0.32 0.00 0.00 0.00 0.00 60.65 60.83 2v44 s ILE 62 Cb -0.15 -3.36 -0.14 0.00 0.01 0.00 0.00 42.46 38.83 2v44 s ILE 62 CO 0.08 0.32 1.44 -0.24 0.00 0.00 0.00 174.94 176.54 2v44 n SER 63 N 4.63 2.82 -2.34 3.58 2.88 -1.26 -4.98 113.62 118.95 2v44 n SER 63 Ca -0.15 1.13 -0.08 0.00 -1.33 0.00 0.00 58.87 58.44 2v44 n SER 63 Cb 0.52 -1.43 -0.02 0.00 -0.75 0.00 0.00 64.21 62.53 2v44 n SER 63 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2v44 n THR 64 N 2.23 0.00 -0.12 2.46 -2.24 0.88 -4.97 114.28 112.53 2v44 n THR 64 Ca 0.13 -0.74 -0.09 0.00 -2.27 0.00 0.00 64.05 61.08 2v44 n THR 64 Cb 0.31 0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 2v44 n THR 64 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2v44 h GLN 65 N 0.00 0.54 0.19 -0.78 5.75 -2.01 -3.31 115.11 115.50 2v44 h GLN 65 Ca -0.11 -0.08 -0.34 0.00 -0.15 0.00 0.00 58.65 57.97 2v44 h GLN 65 Cb 0.38 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 28.85 2v44 h GLN 65 CO 0.17 0.48 -1.65 -0.09 -2.65 0.00 0.00 178.83 175.09 2v44 h ARG 66 N 0.47 0.41 -4.79 1.69 2.43 -1.94 -3.44 114.38 109.22 2v44 h ARG 66 Ca 0.13 -0.70 -0.67 0.00 -0.81 0.00 0.00 59.98 57.92 2v44 h ARG 66 Cb 0.12 0.26 -0.36 0.00 -0.42 0.00 0.00 29.97 29.57 2v44 h ARG 66 CO -0.02 1.32 -0.74 0.08 -1.51 0.00 0.00 179.97 179.11 2v44 s VAL 67 N -2.59 2.54 -0.07 0.20 1.01 -1.24 -0.79 120.40 119.45 2v44 s VAL 67 Ca -0.13 -1.68 0.02 0.00 0.00 0.00 0.00 61.98 60.19 2v44 s VAL 67 Cb 0.05 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2v44 s VAL 67 CO 0.88 -0.18 -0.11 -0.69 0.00 0.00 0.00 175.10 175.00 2v44 s VAL 68 N 1.13 3.32 -0.08 2.92 1.01 0.32 -0.08 120.40 128.94 2v44 s VAL 68 Ca -0.04 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2v44 s VAL 68 Cb -0.20 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.84 2v44 s VAL 68 CO -0.04 0.58 -0.19 -0.69 0.00 0.00 0.00 175.10 174.76 2v44 s VAL 69 N -0.52 1.64 -0.07 2.92 1.01 -1.26 -0.70 120.40 123.42 2v44 s VAL 69 Ca 0.07 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 2v44 s VAL 69 Cb -0.12 -1.44 0.04 0.00 0.00 0.00 0.00 36.38 34.87 2v44 s VAL 69 CO 0.02 0.47 0.11 0.00 0.00 0.00 0.00 175.10 175.69 2v44 s GLN 70 N 0.43 -0.01 -0.20 2.72 -2.07 -0.70 -4.84 119.66 114.99 2v44 s GLN 70 Ca -0.16 0.42 -0.19 0.00 -1.82 0.00 0.00 55.36 53.61 2v44 s GLN 70 Cb -0.16 -0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 31.19 2v44 s GLN 70 CO 0.06 -0.36 0.53 0.21 -1.32 0.00 0.00 175.29 174.41 2v44 s LYS 71 N 2.23 4.19 -0.35 9.60 2.20 -1.26 -1.26 119.74 135.09 2v44 s LYS 71 Ca 0.04 0.44 0.01 0.00 -0.36 0.00 0.00 55.97 56.10 2v44 s LYS 71 Cb -0.12 -3.56 0.11 0.00 -1.51 0.00 0.00 37.83 32.74 2v44 s LYS 71 CO -0.05 -0.16 0.11 -1.83 -0.36 0.00 0.00 175.35 173.06 2v44 s GLU 72 N 1.67 1.09 7.26 4.03 1.03 1.00 -4.99 118.70 129.79 2v44 s GLU 72 Ca 0.25 -1.54 0.00 0.00 0.03 0.00 0.00 54.97 53.71 2v44 s GLU 72 Cb -0.15 -2.47 0.00 0.00 -0.80 0.00 0.00 34.13 30.71 2v44 s GLU 72 CO 0.10 -1.01 0.00 0.41 -1.33 0.00 0.00 175.26 173.43 2v44 n GLY 73 N 4.38 2.10 0.83 -3.83 0.00 -1.26 -2.61 105.19 104.79 2v44 n GLY 73 Ca 0.02 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.71 2v44 n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2v44 n VAL 74 N 0.00 0.65 -4.62 1.61 0.24 -1.26 -4.89 118.33 110.06 2v44 n VAL 74 Ca 0.00 -0.59 -0.28 0.00 -2.04 0.00 0.00 64.34 61.44 2v44 n VAL 74 Cb 0.00 0.23 -0.14 0.00 -1.47 0.00 0.00 33.84 32.46 2v44 n VAL 74 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2v44 s ARG 75 N -1.48 1.49 -0.04 7.34 0.52 -1.07 0.01 118.95 125.72 2v44 s ARG 75 Ca 0.29 -1.13 0.03 0.00 -0.52 0.00 0.00 55.73 54.39 2v44 s ARG 75 Cb 0.16 -1.74 0.01 0.00 0.52 0.00 0.00 34.95 33.89 2v44 s ARG 75 CO 0.18 0.43 -0.10 0.45 0.02 0.00 0.00 175.30 176.29 2v44 s SER 76 N -1.51 1.39 -0.17 0.23 0.15 0.14 -0.00 113.70 113.92 2v44 s SER 76 Ca 0.10 -0.22 -0.04 0.00 0.70 0.00 0.00 55.95 56.50 2v44 s SER 76 Cb -0.10 -0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 63.74 2v44 s SER 76 CO 0.03 0.06 -0.04 -0.60 1.20 0.00 0.00 173.24 173.89 2v44 s ARG 77 N 0.33 3.59 -0.22 5.44 3.52 -0.39 -0.31 118.95 130.91 2v44 s ARG 77 Ca -0.06 -0.55 -0.05 0.00 -0.13 0.00 0.00 55.73 54.93 2v44 s ARG 77 Cb -0.11 -2.93 -0.02 0.00 -1.56 0.00 0.00 34.95 30.33 2v44 s ARG 77 CO 0.01 0.13 0.01 -1.17 -0.81 0.00 0.00 175.30 173.47 2v44 s LEU 78 N 0.65 3.23 -0.14 -0.88 2.96 0.01 -1.72 118.68 122.80 2v44 s LEU 78 Ca -0.02 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 2v44 s LEU 78 Cb -0.14 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 2v44 s LEU 78 CO 0.02 0.02 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.02 2v44 s THR 79 N 1.26 2.68 -0.29 3.68 2.01 0.13 -0.33 115.64 124.77 2v44 s THR 79 Ca 0.04 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 2v44 s THR 79 Cb -0.15 -2.12 0.03 0.00 0.01 0.00 0.00 72.50 70.27 2v44 s THR 79 CO 0.01 0.52 0.04 -0.63 -0.69 0.00 0.00 174.62 173.88 2v44 s ILE 80 N 0.60 3.54 0.17 1.82 1.01 0.34 -0.52 121.20 128.16 2v44 s ILE 80 Ca -0.09 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.50 2v44 s ILE 80 Cb -0.16 -2.89 -0.07 0.00 0.01 0.00 0.00 42.46 39.36 2v44 s ILE 80 CO 0.03 0.02 0.49 -0.31 0.00 0.00 0.00 174.94 175.18 2v44 s TYR 81 N 1.40 3.50 -1.18 3.97 2.02 0.03 -1.26 117.35 125.83 2v44 s TYR 81 Ca -0.00 0.84 -0.16 0.00 -0.37 0.00 0.00 57.07 57.38 2v44 s TYR 81 Cb -0.18 -2.22 -0.01 0.00 -0.40 0.00 0.00 41.96 39.15 2v44 s TYR 81 CO 0.00 0.37 0.75 0.09 -1.57 0.00 0.00 175.55 175.19 2v44 n ASN 82 N 0.26 -4.45 -4.71 2.29 3.02 -1.16 -4.82 115.26 105.69 2v44 n ASN 82 Ca -0.03 -0.99 -0.39 0.00 -0.03 0.00 0.00 54.58 53.15 2v44 n ASN 82 Cb 0.52 -3.46 0.04 0.00 -0.61 0.00 0.00 39.78 36.27 2v44 n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2v44 n ALA 83 N -4.18 1.28 -2.48 5.41 0.00 0.06 -4.49 120.51 116.12 2v44 n ALA 83 Ca -0.13 0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 2v44 n ALA 83 Cb 0.61 -2.30 -0.11 0.00 0.00 0.00 0.00 19.45 17.66 2v44 n ALA 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2v44 s ASN 84 N -0.92 3.02 0.48 0.00 2.20 -1.26 -0.03 114.94 118.43 2v44 s ASN 84 Ca 0.71 -1.26 0.21 0.00 -0.94 0.00 0.00 52.86 51.59 2v44 s ASN 84 Cb -0.43 -0.22 1.23 0.00 -2.00 0.00 0.00 41.25 39.83 2v44 s ASN 84 CO 0.50 -0.39 1.93 0.40 -2.94 0.00 0.00 177.10 176.60 2v44 h ILE 85 N 2.12 0.72 0.00 0.54 2.04 -1.96 0.97 117.51 121.94 2v44 h ILE 85 Ca -0.41 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2v44 h ILE 85 Cb 1.24 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2v44 h ILE 85 CO 0.70 0.04 0.00 -0.62 0.00 0.00 0.00 178.15 178.27 2v44 n GLU 86 N -4.42 0.11 0.00 2.37 1.02 -1.26 -1.83 120.64 116.64 2v44 n GLU 86 Ca 0.14 0.15 0.14 0.00 -0.02 0.00 0.00 57.16 57.57 2v44 n GLU 86 Cb 0.65 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 31.16 2v44 n GLU 86 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2v44 n ASP 87 N -1.41 0.09 -4.77 1.62 8.00 0.33 -4.91 116.55 115.50 2v44 n ASP 87 Ca 0.06 0.23 -0.37 0.00 0.71 0.00 0.00 54.79 55.42 2v44 n ASP 87 Cb 0.19 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 40.92 2v44 n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2v44 s ALA 88 N -2.89 3.07 0.00 2.24 0.00 -0.76 -4.89 121.76 118.53 2v44 s ALA 88 Ca 0.17 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2v44 s ALA 88 Cb 0.19 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2v44 s ALA 88 CO 0.54 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2v44 n GLY 89 N 0.50 0.75 3.69 0.00 0.00 -0.15 -4.79 105.19 105.19 2v44 n GLY 89 Ca 0.05 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 2v44 n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2v44 s ILE 90 N -1.49 5.23 0.05 -0.61 1.09 -1.26 -0.93 121.20 123.27 2v44 s ILE 90 Ca 0.00 0.67 0.01 0.00 -1.10 0.00 0.00 60.65 60.23 2v44 s ILE 90 Cb 0.00 -3.70 -0.04 0.00 -1.06 0.00 0.00 42.46 37.66 2v44 s ILE 90 CO 0.00 0.30 0.13 -0.31 -0.10 0.00 0.00 174.94 174.95 2v44 s TYR 91 N 1.03 3.34 -0.05 3.97 2.02 0.18 -3.08 117.35 124.76 2v44 s TYR 91 Ca 0.19 0.18 0.06 0.00 -0.37 0.00 0.00 57.07 57.12 2v44 s TYR 91 Cb -0.14 -1.71 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 2v44 s TYR 91 CO 0.07 0.56 -0.22 1.03 -1.57 0.00 0.00 175.55 175.42 2v44 s ARG 92 N -2.24 2.21 -0.15 -0.62 0.52 -0.34 -1.62 118.95 116.71 2v44 s ARG 92 Ca 0.29 -0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 54.67 2v44 s ARG 92 Cb -0.12 -1.91 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 2v44 s ARG 92 CO 0.22 0.35 -0.03 0.00 0.02 0.00 0.00 175.30 175.85 2v44 s GLN 94 N 0.29 2.30 0.06 0.00 0.74 0.39 -1.07 119.66 122.38 2v44 s GLN 94 Ca -0.03 -0.57 0.01 0.00 0.05 0.00 0.00 55.36 54.83 2v44 s GLN 94 Cb -0.14 -2.07 -0.04 0.00 1.10 0.00 0.00 33.01 31.86 2v44 s GLN 94 CO 0.03 -0.20 0.13 0.00 -0.55 0.00 0.00 175.29 174.70 2v44 s ALA 95 N 1.37 3.74 -0.01 1.58 0.00 0.51 -0.86 121.76 128.08 2v44 s ALA 95 Ca 0.02 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.09 2v44 s ALA 95 Cb -0.13 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 2v44 s ALA 95 CO -0.09 0.77 -0.10 0.99 0.00 0.00 0.00 175.76 177.33 2v44 s THR 96 N -1.41 0.81 0.50 0.00 2.01 -0.24 -1.54 115.64 115.77 2v44 s THR 96 Ca 0.30 -0.42 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 2v44 s THR 96 Cb -0.12 -0.69 0.11 0.00 0.01 0.00 0.00 72.50 71.80 2v44 s THR 96 CO 0.23 0.23 0.68 -0.90 -0.69 0.00 0.00 174.62 174.18 2v44 n ASP 97 N 2.93 0.57 0.19 3.53 5.68 -0.20 0.30 116.55 129.56 2v44 n ASP 97 Ca -0.15 -1.56 0.14 0.00 -0.50 0.00 0.00 54.79 52.72 2v44 n ASP 97 Cb 0.56 -0.48 0.49 0.00 -1.14 0.00 0.00 41.12 40.56 2v44 n ASP 97 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2v44 h ALA 98 N -1.00 1.00 0.00 2.12 0.00 -1.90 -2.44 119.26 117.05 2v44 h ALA 98 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2v44 h ALA 98 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2v44 h ALA 98 CO 0.21 0.00 -0.37 1.63 0.00 0.00 0.00 179.25 180.71 2v44 n LYS 99 N -2.68 0.10 -0.21 0.00 5.02 -1.26 -4.94 118.16 114.19 2v44 n LYS 99 Ca 0.02 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2v44 n LYS 99 Cb 0.34 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2v44 n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2v44 n GLY 100 N 1.44 0.87 3.78 0.72 0.00 -0.92 -5.07 105.19 106.01 2v44 n GLY 100 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2v44 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2v44 s GLN 101 N -0.79 4.54 0.17 1.61 -0.21 -1.26 -4.83 119.66 118.89 2v44 s GLN 101 Ca 0.00 1.22 0.10 0.00 0.02 0.00 0.00 55.36 56.70 2v44 s GLN 101 Cb 0.00 -2.94 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 2v44 s GLN 101 CO 0.00 0.37 -0.21 0.95 -2.12 0.00 0.00 175.29 174.28 2v44 s THR 102 N -1.48 2.04 0.04 -0.19 -4.23 -1.26 -1.03 115.64 109.52 2v44 s THR 102 Ca 0.46 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 2v44 s THR 102 Cb -0.20 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 2v44 s THR 102 CO 0.24 -0.21 0.03 -1.10 -0.54 0.00 0.00 174.62 173.04 2v44 s GLN 103 N -2.68 0.55 0.07 3.99 -0.21 -0.59 -4.99 119.66 115.80 2v44 s GLN 103 Ca 0.17 -0.90 -0.11 0.00 0.02 0.00 0.00 55.36 54.54 2v44 s GLN 103 Cb -0.07 0.20 0.01 0.00 1.00 0.00 0.00 33.01 34.15 2v44 s GLN 103 CO 0.08 -0.12 0.25 -1.83 -2.12 0.00 0.00 175.29 171.55 2v44 s GLU 104 N -2.91 0.82 0.16 2.91 -1.05 -1.26 -0.36 118.70 117.01 2v44 s GLU 104 Ca -0.02 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 2v44 s GLU 104 Cb 0.01 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 2v44 s GLU 104 CO -0.06 -0.27 0.04 0.00 0.95 0.00 0.00 175.26 175.93 2v44 s ALA 105 N -3.18 1.10 0.09 -0.84 0.00 -0.23 -4.85 121.76 113.85 2v44 s ALA 105 Ca -0.00 -1.55 0.03 0.00 0.00 0.00 0.00 51.96 50.43 2v44 s ALA 105 Cb 0.02 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2v44 s ALA 105 CO -0.07 -0.44 -0.09 0.95 0.00 0.00 0.00 175.76 176.12 2v44 s THR 106 N -3.91 0.81 0.00 0.00 -4.23 -1.26 -0.74 115.64 106.32 2v44 s THR 106 Ca 0.26 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2v44 s THR 106 Cb 0.07 -1.36 -0.00 0.00 1.34 0.00 0.00 72.50 72.55 2v44 s THR 106 CO 0.04 -0.64 -0.01 0.54 -0.54 0.00 0.00 174.62 174.01 2v44 s VAL 107 N -2.68 0.10 -0.18 2.29 0.11 -0.64 -4.79 120.40 114.61 2v44 s VAL 107 Ca 0.05 -0.14 -0.08 0.00 -2.93 0.00 0.00 61.98 58.89 2v44 s VAL 107 Cb -0.01 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.69 2v44 s VAL 107 CO -0.01 -0.02 0.09 -0.69 -3.33 0.00 0.00 175.10 171.13 2v44 s VAL 108 N -0.16 5.04 -0.27 2.04 1.01 -0.21 -0.64 120.40 127.21 2v44 s VAL 108 Ca -0.01 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 2v44 s VAL 108 Cb -0.01 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 33.11 2v44 s VAL 108 CO -0.00 0.48 0.03 -0.22 0.00 0.00 0.00 175.10 175.39 2v44 s LEU 109 N 0.14 3.54 -0.18 3.92 2.96 -0.11 -1.34 118.68 127.62 2v44 s LEU 109 Ca 0.06 -0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 2v44 s LEU 109 Cb -0.12 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2v44 s LEU 109 CO -0.00 -0.14 0.04 -1.61 -1.32 0.00 0.00 176.35 173.32 2v44 s GLU 110 N 1.46 3.91 -0.09 1.98 2.02 -0.12 -0.97 118.70 126.89 2v44 s GLU 110 Ca 0.03 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 54.66 2v44 s GLU 110 Cb -0.17 -3.15 0.01 0.00 0.10 0.00 0.00 34.13 30.93 2v44 s GLU 110 CO 0.00 0.27 -0.15 0.42 0.02 0.00 0.00 175.26 175.82 2v44 s ILE 111 N 0.36 1.40 0.38 -1.63 1.01 -1.26 -1.26 121.20 120.20 2v44 s ILE 111 Ca 0.01 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.10 2v44 s ILE 111 Cb -0.13 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 2v44 s ILE 111 CO 0.01 0.42 0.06 -0.72 0.00 0.00 0.00 174.94 174.70 2v44 s TYR 112 N 0.82 2.01 -0.21 3.97 -0.85 -0.56 -4.95 117.35 117.59 2v44 s TYR 112 Ca -0.11 -0.97 -0.04 0.00 -0.52 0.00 0.00 57.07 55.43 2v44 s TYR 112 Cb -0.15 -1.38 -0.01 0.00 0.38 0.00 0.00 41.96 40.79 2v44 s TYR 112 CO 0.01 0.05 -0.04 -1.14 -1.52 0.00 0.00 175.55 172.92 2v44 s GLN 113 N -3.82 3.45 0.78 -3.49 2.00 -1.25 -1.10 119.66 116.23 2v44 s GLN 113 Ca 0.30 -0.60 -0.11 0.00 -2.00 0.00 0.00 55.36 52.95 2v44 s GLN 113 Cb 0.07 -3.00 0.06 0.00 0.80 0.00 0.00 33.01 30.94 2v44 s GLN 113 CO 0.14 -0.10 1.10 -1.59 -0.50 0.00 0.00 175.29 174.34 2v44 s LYS 114 N 1.24 2.20 0.10 1.67 -2.85 -1.26 -1.26 119.74 119.58 2v44 s LYS 114 Ca 0.03 0.63 -0.34 0.00 -1.00 0.00 0.00 55.97 55.29 2v44 s LYS 114 Cb -0.14 -1.93 -0.14 0.00 -2.06 0.00 0.00 37.83 33.56 2v44 s LYS 114 CO -0.01 -1.54 1.61 1.28 0.10 0.00 0.00 175.35 176.80 2v44 n LEU 115 N -3.38 3.02 -3.81 2.77 4.77 -1.26 -4.46 117.00 114.66 2v44 n LEU 115 Ca 0.07 1.07 -0.23 0.00 -0.03 0.00 0.00 56.01 56.88 2v44 n LEU 115 Cb 0.56 -1.39 -0.17 0.00 -2.33 0.00 0.00 43.42 40.09 2v44 n LEU 115 CO 0.57 -0.31 -0.40 -0.89 -1.33 0.00 0.00 177.39 175.02 2v44 s THR 116 N 1.47 0.52 0.07 -5.08 2.01 0.07 -4.96 115.64 109.74 2v44 s THR 116 Ca 0.82 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 62.62 2v44 s THR 116 Cb -0.71 -0.64 -0.06 0.00 0.01 0.00 0.00 72.50 71.09 2v44 s THR 116 CO 0.41 0.28 0.66 -0.36 -0.69 0.00 0.00 174.62 174.92 2v44 s PHE 117 N 1.83 3.78 -0.05 4.92 0.40 -1.26 -1.21 117.98 126.39 2v44 s PHE 117 Ca 0.04 1.37 0.04 0.00 -0.60 0.00 0.00 56.93 57.77 2v44 s PHE 117 Cb -0.12 -2.65 -0.02 0.00 0.51 0.00 0.00 43.02 40.73 2v44 s PHE 117 CO -0.05 0.45 -0.16 1.03 0.70 0.00 0.00 175.22 177.19 2v44 s ARG 118 N -0.66 2.49 -0.69 0.44 0.52 0.27 -4.85 118.95 116.46 2v44 s ARG 118 Ca 0.33 -0.72 -0.15 0.00 -0.52 0.00 0.00 55.73 54.66 2v44 s ARG 118 Cb -0.20 -2.35 0.02 0.00 0.52 0.00 0.00 34.95 32.94 2v44 s ARG 118 CO 0.21 0.60 0.41 -0.85 0.02 0.00 0.00 175.30 175.69 2v44 n GLU 119 N 2.37 -0.67 -2.24 3.54 0.28 -1.26 -4.32 120.64 118.35 2v44 n GLU 119 Ca -0.17 0.05 -0.42 0.00 -0.16 0.00 0.00 57.16 56.46 2v44 n GLU 119 Cb 0.52 -1.27 -0.03 0.00 1.43 0.00 0.00 31.44 32.10 2v44 n GLU 119 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2v44 s VAL 120 N -3.58 3.71 -0.18 3.84 1.01 -1.26 -4.89 120.40 119.05 2v44 s VAL 120 Ca 0.21 1.11 -0.04 0.00 0.00 0.00 0.00 61.98 63.27 2v44 s VAL 120 Cb -0.12 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2v44 s VAL 120 CO 0.61 0.01 -0.04 -0.69 0.00 0.00 0.00 175.10 174.99 2v44 s VAL 121 N 2.23 3.70 -0.28 2.92 1.01 -1.26 -5.08 120.40 123.64 2v44 s VAL 121 Ca 0.63 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 2v44 s VAL 121 Cb -0.31 -2.64 0.09 0.00 0.00 0.00 0.00 36.38 33.51 2v44 s VAL 121 CO 0.27 0.46 0.70 -0.55 0.00 0.00 0.00 175.10 175.98 2v44 s SER 122 N 0.80 -0.94 0.82 3.32 0.15 -1.26 -4.43 113.70 112.16 2v44 s SER 122 Ca -0.01 1.48 -0.12 0.00 0.70 0.00 0.00 55.95 58.00 2v44 s SER 122 Cb -0.15 1.44 0.08 0.00 -1.71 0.00 0.00 66.02 65.69 2v44 s SER 122 CO 0.02 -0.23 1.10 -2.84 1.20 0.00 0.00 173.24 172.49 2v44 s PRO 123 N 1.71 1.91 -0.12 5.44 0.02 -1.26 -4.94 135.00 137.76 2v44 s PRO 123 Ca -0.10 0.58 0.03 0.00 0.02 0.00 0.00 61.00 61.53 2v44 s PRO 123 Cb -0.05 -1.90 -0.00 0.00 0.02 0.00 0.00 34.50 32.56 2v44 s PRO 123 CO -0.20 -1.73 -0.21 -0.65 -0.33 0.00 0.00 177.00 173.89 2v44 s GLN 124 N -5.18 3.13 -0.01 5.54 -0.21 0.42 -4.96 119.66 118.39 2v44 s GLN 124 Ca 0.61 -0.82 0.02 0.00 0.02 0.00 0.00 55.36 55.19 2v44 s GLN 124 Cb -0.14 -2.42 -0.03 0.00 1.00 0.00 0.00 33.01 31.41 2v44 s GLN 124 CO 0.54 0.14 -0.02 -1.21 -2.12 0.00 0.00 175.29 172.62 2v44 s GLU 125 N 0.47 2.73 0.03 2.91 2.02 -1.26 -1.40 118.70 124.19 2v44 s GLU 125 Ca -0.14 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.21 2v44 s GLU 125 Cb -0.17 -2.63 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 2v44 s GLU 125 CO 0.06 0.62 -0.02 -0.06 0.02 0.00 0.00 175.26 175.88 2v44 s PHE 126 N -1.04 0.30 0.07 1.61 0.40 0.01 -4.96 117.98 114.36 2v44 s PHE 126 Ca 0.18 -0.61 -0.16 0.00 -0.60 0.00 0.00 56.93 55.74 2v44 s PHE 126 Cb -0.11 -0.22 -0.06 0.00 0.51 0.00 0.00 43.02 43.13 2v44 s PHE 126 CO 0.09 -0.24 0.50 -1.59 0.70 0.00 0.00 175.22 174.68 2v44 s LYS 127 N -1.96 4.03 0.29 0.44 -2.85 -1.26 0.07 119.74 118.49 2v44 s LYS 127 Ca -0.11 0.54 -0.29 0.00 -1.00 0.00 0.00 55.97 55.10 2v44 s LYS 127 Cb -0.06 -3.14 -0.13 0.00 -2.06 0.00 0.00 37.83 32.43 2v44 s LYS 127 CO -0.03 0.61 1.20 0.94 0.10 0.00 0.00 175.35 178.17 2v44 n GLN 128 N 1.48 1.74 0.00 1.78 7.27 -0.33 -2.41 117.38 126.91 2v44 n GLN 128 Ca -0.10 0.61 0.00 0.00 0.07 0.00 0.00 57.00 57.58 2v44 n GLN 128 Cb 0.52 -2.12 0.00 0.00 2.41 0.00 0.00 30.24 31.04 2v44 n GLN 128 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2v44 n GLY 129 N 1.29 3.07 3.83 1.69 0.00 0.94 -4.93 105.19 111.07 2v44 n GLY 129 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2v44 n GLY 129 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2v44 s GLU 130 N -0.27 2.64 -0.52 1.61 -1.05 -1.01 -4.17 118.70 115.92 2v44 s GLU 130 Ca 0.00 0.75 -0.21 0.00 -0.15 0.00 0.00 54.97 55.35 2v44 s GLU 130 Cb 0.00 -1.97 0.05 0.00 -0.44 0.00 0.00 34.13 31.77 2v44 s GLU 130 CO 0.00 -1.26 0.76 -0.51 0.95 0.00 0.00 175.26 175.20 2v44 s ASP 131 N -3.94 6.28 0.36 0.83 1.01 -1.26 -1.08 116.67 118.86 2v44 s ASP 131 Ca 0.59 -0.65 -0.21 0.00 0.71 0.00 0.00 52.55 52.98 2v44 s ASP 131 Cb -0.14 -2.35 -0.10 0.00 1.01 0.00 0.00 42.92 41.34 2v44 s ASP 131 CO 0.54 -1.02 0.89 0.00 0.21 0.00 0.00 175.17 175.79 2v44 s ALA 132 N 3.18 3.18 -0.27 5.23 0.00 0.31 -4.87 121.76 128.52 2v44 s ALA 132 Ca 0.22 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2v44 s ALA 132 Cb -0.16 -3.06 0.08 0.00 0.00 0.00 0.00 23.12 19.97 2v44 s ALA 132 CO 0.15 0.20 0.01 -2.00 0.00 0.00 0.00 175.76 174.12 2v44 s GLU 133 N -2.67 1.32 -0.24 0.00 2.12 -1.26 -0.75 118.70 117.22 2v44 s GLU 133 Ca 0.55 -1.14 -0.25 0.00 0.36 0.00 0.00 54.97 54.49 2v44 s GLU 133 Cb -0.13 -2.53 -0.00 0.00 0.26 0.00 0.00 34.13 31.72 2v44 s GLU 133 CO 0.18 -0.75 0.85 0.08 -0.54 0.00 0.00 175.26 175.08 2v44 s VAL 134 N 1.38 4.82 -0.08 3.70 1.01 -0.02 -4.89 120.40 126.32 2v44 s VAL 134 Ca 0.01 1.61 -0.21 0.00 0.00 0.00 0.00 61.98 63.40 2v44 s VAL 134 Cb -0.18 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2v44 s VAL 134 CO -0.11 -0.09 0.58 -0.69 0.00 0.00 0.00 175.10 174.79 2v44 s VAL 135 N 2.89 5.09 -0.04 2.92 1.01 -1.26 -1.41 120.40 129.60 2v44 s VAL 135 Ca 0.36 1.19 -0.01 0.00 0.00 0.00 0.00 61.98 63.51 2v44 s VAL 135 Cb -0.15 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.34 2v44 s VAL 135 CO 0.07 0.31 0.08 0.00 0.00 0.00 0.00 175.10 175.56 2v44 s ARG 137 N 1.09 1.86 0.11 0.00 0.52 -1.26 -4.53 118.95 116.74 2v44 s ARG 137 Ca -0.09 -1.39 0.07 0.00 -0.52 0.00 0.00 55.73 53.80 2v44 s ARG 137 Cb -0.12 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 2v44 s ARG 137 CO -0.04 -0.68 -0.17 0.54 0.02 0.00 0.00 175.30 174.97 2v44 s VAL 138 N 1.13 1.49 0.11 3.52 0.11 -1.26 -0.56 120.40 124.94 2v44 s VAL 138 Ca -0.03 -1.61 -0.10 0.00 -2.93 0.00 0.00 61.98 57.31 2v44 s VAL 138 Cb -0.19 -1.50 0.00 0.00 -1.53 0.00 0.00 36.38 33.16 2v44 s VAL 138 CO -0.07 -0.25 0.25 -0.94 -3.33 0.00 0.00 175.10 170.77 2v44 s SER 139 N -2.17 0.04 0.00 3.54 1.04 -0.35 -4.88 113.70 110.91 2v44 s SER 139 Ca 0.07 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2v44 s SER 139 Cb -0.08 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2v44 s SER 139 CO 0.04 -0.79 0.00 -1.54 0.98 0.00 0.00 173.24 171.93 2v44 n SER 140 N -0.12 0.00 -4.03 7.02 3.41 -1.26 -0.75 113.62 117.89 2v44 n SER 140 Ca -0.14 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.21 2v44 n SER 140 Cb 0.63 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.41 2v44 n SER 140 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2v44 s SER 141 N 0.00 1.99 1.07 4.04 1.04 -0.39 -3.37 113.70 118.07 2v44 s SER 141 Ca 0.00 -0.33 -0.12 0.00 0.48 0.00 0.00 55.95 55.97 2v44 s SER 141 Cb 0.00 -0.90 0.23 0.00 0.10 0.00 0.00 66.02 65.45 2v44 s SER 141 CO 0.00 0.02 1.06 -2.84 0.98 0.00 0.00 173.24 172.46 2v44 s PRO 142 N 0.81 -0.16 0.27 4.02 0.02 -1.26 -3.85 135.00 134.85 2v44 s PRO 142 Ca -0.11 0.73 -0.26 0.00 0.02 0.00 0.00 61.00 61.37 2v44 s PRO 142 Cb -0.15 -1.65 -0.16 0.00 0.02 0.00 0.00 34.50 32.55 2v44 s PRO 142 CO 0.02 -3.19 0.50 0.00 -0.33 0.00 0.00 177.00 174.01 2v44 n ALA 143 N -4.52 -2.46 -1.79 -1.55 0.00 -1.22 -4.90 120.51 104.07 2v44 n ALA 143 Ca 0.04 0.35 -0.35 0.00 0.00 0.00 0.00 53.44 53.48 2v44 n ALA 143 Cb 0.55 -1.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 2v44 n ALA 143 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2v44 s PRO 144 N -1.12 4.26 -0.16 0.00 0.04 -1.26 -4.93 135.00 131.82 2v44 s PRO 144 Ca 0.62 1.33 -0.23 0.00 0.04 0.00 0.00 61.00 62.76 2v44 s PRO 144 Cb -0.82 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 2v44 s PRO 144 CO 0.58 -0.03 0.72 0.00 0.04 0.00 0.00 177.00 178.31 2v44 s ALA 145 N -1.84 3.50 -0.06 8.56 0.00 0.61 -4.88 121.76 127.65 2v44 s ALA 145 Ca 0.58 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.47 2v44 s ALA 145 Cb -0.16 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 2v44 s ALA 145 CO 0.21 -0.52 -0.08 0.08 0.00 0.00 0.00 175.76 175.45 2v44 s VAL 146 N 1.82 3.60 0.05 0.00 1.01 -1.26 -0.47 120.40 125.15 2v44 s VAL 146 Ca 0.34 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2v44 s VAL 146 Cb -0.16 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2v44 s VAL 146 CO 0.12 0.58 -0.11 -0.44 0.00 0.00 0.00 175.10 175.25 2v44 s SER 147 N -0.84 1.32 -0.14 3.32 0.01 0.06 -4.97 113.70 112.45 2v44 s SER 147 Ca 0.13 -0.52 -0.03 0.00 1.31 0.00 0.00 55.95 56.83 2v44 s SER 147 Cb -0.11 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.06 2v44 s SER 147 CO 0.02 -0.09 -0.04 0.26 0.41 0.00 0.00 173.24 173.80 2v44 s TRP 148 N -1.13 3.03 0.28 2.43 0.52 -1.26 -0.14 118.94 122.66 2v44 s TRP 148 Ca -0.04 -0.23 0.07 0.00 0.02 0.00 0.00 56.10 55.93 2v44 s TRP 148 Cb -0.09 -1.92 -0.06 0.00 -1.15 0.00 0.00 33.47 30.25 2v44 s TRP 148 CO 0.01 0.04 -0.08 -0.51 0.02 0.00 0.00 176.95 176.43 2v44 s LEU 149 N 0.15 2.53 -0.00 2.99 1.02 0.34 -3.32 118.68 122.39 2v44 s LEU 149 Ca -0.01 -1.16 0.06 0.00 0.02 0.00 0.00 54.13 53.03 2v44 s LEU 149 Cb -0.14 -0.72 -0.02 0.00 0.02 0.00 0.00 46.19 45.33 2v44 s LEU 149 CO 0.03 -0.28 -0.19 -0.47 0.02 0.00 0.00 176.35 175.46 2v44 s TYR 150 N -2.92 1.70 -0.32 0.29 6.14 0.20 -0.17 117.35 122.27 2v44 s TYR 150 Ca 0.29 -0.33 -0.16 0.00 0.64 0.00 0.00 57.07 57.51 2v44 s TYR 150 Cb 0.02 -1.08 -0.02 0.00 0.42 0.00 0.00 41.96 41.31 2v44 s TYR 150 CO 0.12 -0.00 0.42 -1.01 0.64 0.00 0.00 175.55 175.72 2v44 s HIS 151 N -0.53 3.21 0.00 4.97 3.76 0.49 -1.97 115.29 125.23 2v44 s HIS 151 Ca 0.07 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 2v44 s HIS 151 Cb -0.08 -2.73 0.00 0.00 1.11 0.00 0.00 32.58 30.89 2v44 s HIS 151 CO -0.00 -0.40 0.09 0.27 -0.85 0.00 0.00 174.74 173.85 2v44 n ASN 152 N 5.49 0.00 -4.19 1.40 0.23 -1.26 -4.46 115.26 112.47 2v44 n ASN 152 Ca -0.07 -1.00 -0.33 0.00 -0.53 0.00 0.00 54.58 52.64 2v44 n ASN 152 Cb 0.50 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.04 2v44 n ASN 152 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2v44 s VAL 155 N 0.00 2.46 0.03 3.53 1.01 -1.26 -5.25 120.40 120.92 2v44 s VAL 155 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.19 2v44 s VAL 155 Cb 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2v44 s VAL 155 CO 0.00 0.51 -0.07 0.28 0.00 0.00 0.00 175.10 175.82 2v44 s THR 156 N 1.25 0.47 0.36 3.92 -1.32 -0.83 -4.91 115.64 114.59 2v44 s THR 156 Ca 0.03 -0.94 -0.28 0.00 -1.21 0.00 0.00 61.69 59.29 2v44 s THR 156 Cb -0.14 -0.53 -0.11 0.00 -1.51 0.00 0.00 72.50 70.21 2v44 s THR 156 CO -0.08 -0.32 1.51 1.07 -2.21 0.00 0.00 174.62 174.59 2v44 n THR 157 N 1.69 1.81 -2.83 5.08 5.66 -1.26 -0.63 114.28 123.80 2v44 n THR 157 Ca -0.21 -0.45 -0.42 0.00 -3.05 0.00 0.00 64.05 59.92 2v44 n THR 157 Cb 0.55 -1.98 -0.04 0.00 -1.55 0.00 0.00 70.33 67.31 2v44 n THR 157 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2v44 s ILE 158 N -0.90 4.87 -0.33 1.09 1.01 -1.21 -4.84 121.20 120.88 2v44 s ILE 158 Ca 0.55 1.78 -0.00 0.00 0.00 0.00 0.00 60.65 62.98 2v44 s ILE 158 Cb -0.48 -4.20 0.11 0.00 0.01 0.00 0.00 42.46 37.90 2v44 s ILE 158 CO 0.61 0.06 0.12 -0.44 0.00 0.00 0.00 174.94 175.28 2v44 s SER 159 N 1.08 3.98 -0.27 3.58 0.01 -1.26 -5.06 113.70 115.76 2v44 s SER 159 Ca 0.43 -1.82 -0.23 0.00 1.31 0.00 0.00 55.95 55.63 2v44 s SER 159 Cb -0.18 -0.91 0.08 0.00 0.21 0.00 0.00 66.02 65.22 2v44 s SER 159 CO 0.16 -0.39 0.76 -0.62 0.41 0.00 0.00 173.24 173.56 2v44 s ASP 160 N 1.38 -0.74 0.04 2.44 -1.08 -1.26 -5.06 116.67 112.39 2v44 s ASP 160 Ca 0.11 1.38 0.16 0.00 -0.52 0.00 0.00 52.55 53.68 2v44 s ASP 160 Cb -0.19 1.39 0.67 0.00 -1.46 0.00 0.00 42.92 43.33 2v44 s ASP 160 CO -0.20 -0.23 1.50 -0.46 0.52 0.00 0.00 175.17 176.30 2v44 n ASN 161 N 2.93 0.11 -0.52 -0.34 6.94 -1.26 -1.80 115.26 121.33 2v44 n ASN 161 Ca -0.15 0.53 0.14 0.00 -0.02 0.00 0.00 54.58 55.07 2v44 n ASN 161 Cb 0.56 -0.55 0.45 0.00 -2.36 0.00 0.00 39.78 37.88 2v44 n ASN 161 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2v44 n ARG 162 N -1.62 1.66 -5.23 -3.83 1.74 -1.26 -4.90 116.66 103.22 2v44 n ARG 162 Ca 0.03 -1.04 -0.32 0.00 -0.77 0.00 0.00 57.85 55.75 2v44 n ARG 162 Cb 0.18 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 29.98 2v44 n ARG 162 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2v44 s PHE 163 N -2.06 2.47 -0.24 -1.55 0.08 -0.74 -0.39 117.98 115.55 2v44 s PHE 163 Ca 0.35 -0.71 -0.20 0.00 0.12 0.00 0.00 56.93 56.49 2v44 s PHE 163 Cb 0.21 -1.61 0.06 0.00 -0.57 0.00 0.00 43.02 41.11 2v44 s PHE 163 CO 0.35 -0.21 0.62 0.00 -0.10 0.00 0.00 175.22 175.88 2v44 s ALA 164 N -0.15 -1.56 0.14 5.36 0.00 -0.82 -4.72 121.76 120.02 2v44 s ALA 164 Ca -0.04 1.84 -0.30 0.00 0.00 0.00 0.00 51.96 53.46 2v44 s ALA 164 Cb -0.14 -1.08 -0.07 0.00 0.00 0.00 0.00 23.12 21.84 2v44 s ALA 164 CO 0.04 -0.31 1.09 1.41 0.00 0.00 0.00 175.76 178.00 2v44 s MET 165 N 0.60 4.58 0.60 0.00 1.75 -1.26 -0.42 119.30 125.14 2v44 s MET 165 Ca -0.02 1.68 -0.03 0.00 -1.25 0.00 0.00 55.69 56.07 2v44 s MET 165 Cb -0.05 -3.31 0.03 0.00 2.84 0.00 0.00 34.83 34.34 2v44 s MET 165 CO -0.03 0.03 0.87 -0.51 -0.65 0.00 0.00 175.02 174.72 2v44 s LEU 166 N -0.00 3.15 0.53 4.11 1.43 0.07 -4.92 118.68 123.05 2v44 s LEU 166 Ca 0.51 0.34 0.27 0.00 -1.03 0.00 0.00 54.13 54.22 2v44 s LEU 166 Cb -0.28 -3.13 1.48 0.00 0.03 0.00 0.00 46.19 44.29 2v44 s LEU 166 CO 0.33 -1.23 2.09 0.00 0.23 0.00 0.00 176.35 177.78 2v44 h ALA 167 N -0.17 1.34 -0.25 4.21 0.00 -1.96 0.60 119.26 123.02 2v44 h ALA 167 Ca -0.44 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2v44 h ALA 167 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2v44 h ALA 167 CO 0.57 0.13 0.00 0.27 0.00 0.00 0.00 179.25 180.23 2v44 n ASN 168 N -3.71 2.24 0.00 0.00 0.23 -1.26 -4.91 115.26 107.85 2v44 n ASN 168 Ca -0.02 -2.20 0.00 0.00 -0.53 0.00 0.00 54.58 51.83 2v44 n ASN 168 Cb 0.21 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 2v44 n ASN 168 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2v44 n ASN 169 N 0.29 0.00 -4.81 0.53 5.03 0.20 -4.89 115.26 111.61 2v44 n ASN 169 Ca 0.10 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.26 2v44 n ASN 169 Cb 0.45 -0.87 0.11 0.00 -1.02 0.00 0.00 39.78 38.45 2v44 n ASN 169 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2v44 s ASN 170 N -2.70 3.99 -0.23 6.41 0.01 -1.26 -4.69 114.94 116.47 2v44 s ASN 170 Ca 0.00 1.04 -0.06 0.00 -0.71 0.00 0.00 52.86 53.14 2v44 s ASN 170 Cb 0.00 -1.66 -0.02 0.00 0.41 0.00 0.00 41.25 39.98 2v44 s ASN 170 CO 0.00 -2.26 0.01 -0.22 -1.51 0.00 0.00 177.10 173.13 2v44 s LEU 171 N -5.88 3.18 -0.06 0.60 2.96 -0.50 -0.75 118.68 118.23 2v44 s LEU 171 Ca 0.62 -0.29 -0.20 0.00 -0.22 0.00 0.00 54.13 54.04 2v44 s LEU 171 Cb -0.14 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 2v44 s LEU 171 CO 0.53 -0.02 0.58 -1.58 -1.32 0.00 0.00 176.35 174.54 2v44 s GLN 172 N 1.51 4.35 -0.27 1.98 0.74 0.44 -0.84 119.66 127.56 2v44 s GLN 172 Ca 0.06 0.67 0.01 0.00 0.05 0.00 0.00 55.36 56.15 2v44 s GLN 172 Cb -0.15 -3.40 0.08 0.00 1.10 0.00 0.00 33.01 30.64 2v44 s GLN 172 CO 0.00 0.23 0.00 0.42 -0.55 0.00 0.00 175.29 175.39 2v44 s ILE 173 N 0.31 1.55 0.21 -2.34 1.01 0.07 -1.94 121.20 120.07 2v44 s ILE 173 Ca 0.31 -1.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.16 2v44 s ILE 173 Cb -0.17 -1.96 -0.08 0.00 0.01 0.00 0.00 42.46 40.26 2v44 s ILE 173 CO 0.15 -0.33 1.14 -0.76 0.00 0.00 0.00 174.94 175.14 2v44 s LEU 174 N 1.34 4.49 -1.12 2.97 1.43 0.48 -0.53 118.68 127.73 2v44 s LEU 174 Ca 0.01 2.20 -0.21 0.00 -1.03 0.00 0.00 54.13 55.10 2v44 s LEU 174 Cb -0.19 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.42 2v44 s LEU 174 CO -0.11 -0.26 0.78 -3.20 0.23 0.00 0.00 176.35 173.79 2v44 n ASN 175 N 2.06 -5.27 -4.75 2.29 4.05 -1.18 -4.77 115.26 107.68 2v44 n ASN 175 Ca 0.02 -1.02 -0.41 0.00 0.45 0.00 0.00 54.58 53.61 2v44 n ASN 175 Cb 0.45 -3.17 -0.01 0.00 1.23 0.00 0.00 39.78 38.27 2v44 n ASN 175 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 2v44 s ILE 176 N -3.44 2.12 0.34 -1.44 2.07 -0.24 -4.56 121.20 116.04 2v44 s ILE 176 Ca 0.45 0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.87 2v44 s ILE 176 Cb -0.17 -3.06 -0.04 0.00 0.13 0.00 0.00 42.46 39.31 2v44 s ILE 176 CO 0.87 0.02 0.16 0.21 -1.91 0.00 0.00 174.94 174.28 2v44 s ASN 177 N 0.43 4.70 0.41 4.50 2.47 -1.26 -0.04 114.94 126.14 2v44 s ASN 177 Ca 0.62 -0.77 0.12 0.00 0.42 0.00 0.00 52.86 53.25 2v44 s ASN 177 Cb -0.47 -0.72 0.85 0.00 -1.45 0.00 0.00 41.25 39.45 2v44 s ASN 177 CO 0.49 -0.32 1.92 0.50 -3.72 0.00 0.00 177.10 175.97 2v44 h LYS 178 N 1.52 0.08 0.00 0.43 1.63 -1.94 -1.47 116.57 116.82 2v44 h LYS 178 Ca -0.44 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2v44 h LYS 178 Cb 1.25 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2v44 h LYS 178 CO 0.63 0.30 0.00 0.66 -3.45 0.00 0.00 179.45 177.59 2v44 h SER 179 N 0.08 0.00 1.54 4.20 4.64 -1.97 -2.37 113.55 119.67 2v44 h SER 179 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2v44 h SER 179 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2v44 h SER 179 CO 0.03 0.00 -0.27 0.44 -0.87 0.00 0.00 176.83 176.16 2v44 h ASP 180 N 0.00 0.00 -3.69 4.97 3.32 -1.67 -3.46 116.42 115.89 2v44 h ASP 180 Ca 0.00 -0.03 -0.57 0.00 0.02 0.00 0.00 57.03 56.46 2v44 h ASP 180 Cb 0.23 0.00 0.15 0.00 0.22 0.00 0.00 39.33 39.93 2v44 h ASP 180 CO 0.00 0.01 0.32 1.21 -1.72 0.00 0.00 179.24 179.06 2v44 n GLU 181 N -2.70 1.24 -1.69 3.56 2.13 -0.89 -4.89 120.64 117.40 2v44 n GLU 181 Ca 0.03 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.32 2v44 n GLU 181 Cb 0.50 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.89 2v44 n GLU 181 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2v44 n GLY 182 N 1.07 0.34 3.56 8.31 0.00 -0.73 -5.02 105.19 112.72 2v44 n GLY 182 Ca 0.12 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 2v44 n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2v44 s ILE 183 N -2.98 4.60 -0.08 -0.61 1.01 -1.26 -0.71 121.20 121.18 2v44 s ILE 183 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.59 2v44 s ILE 183 Cb 0.00 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 2v44 s ILE 183 CO 0.00 0.41 -0.15 -0.31 0.00 0.00 0.00 174.94 174.89 2v44 s TYR 184 N 0.89 2.72 -0.22 3.97 1.51 0.01 -0.38 117.35 125.86 2v44 s TYR 184 Ca 0.04 -0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 55.65 2v44 s TYR 184 Cb -0.14 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 2v44 s TYR 184 CO 0.03 0.02 0.08 0.50 -1.11 0.00 0.00 175.55 175.06 2v44 s ARG 185 N -0.31 3.84 -0.36 -0.62 3.52 0.76 0.17 118.95 125.95 2v44 s ARG 185 Ca 0.02 -0.40 -0.17 0.00 -0.13 0.00 0.00 55.73 55.06 2v44 s ARG 185 Cb -0.13 -3.29 -0.00 0.00 -1.56 0.00 0.00 34.95 29.97 2v44 s ARG 185 CO 0.03 0.05 0.45 0.00 -0.81 0.00 0.00 175.30 175.01 2v44 s GLU 187 N 2.22 3.55 -0.09 0.00 2.12 0.80 -1.77 118.70 125.53 2v44 s GLU 187 Ca 0.15 -0.58 -0.00 0.00 0.36 0.00 0.00 54.97 54.90 2v44 s GLU 187 Cb -0.16 -2.88 -0.03 0.00 0.26 0.00 0.00 34.13 31.32 2v44 s GLU 187 CO 0.13 0.14 -0.06 0.20 -0.54 0.00 0.00 175.26 175.13 2v44 s GLY 188 N 0.60 1.70 0.01 -1.50 0.00 -0.37 -0.76 107.32 107.00 2v44 s GLY 188 Ca -0.04 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.83 2v44 s GLY 188 CO 0.03 -0.49 -0.06 0.50 0.00 0.00 0.00 173.10 173.07 2v44 s ARG 189 N -0.46 0.49 -0.33 2.90 0.52 0.38 -1.88 118.95 120.58 2v44 s ARG 189 Ca 0.07 -0.36 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 2v44 s ARG 189 Cb -0.12 -0.42 0.09 0.00 0.52 0.00 0.00 34.95 35.02 2v44 s ARG 189 CO 0.02 0.11 0.03 0.08 0.02 0.00 0.00 175.30 175.56 2v44 s VAL 190 N -0.48 2.42 0.35 3.52 1.01 -0.06 -0.29 120.40 126.87 2v44 s VAL 190 Ca -0.01 -2.08 0.08 0.00 0.00 0.00 0.00 61.98 59.96 2v44 s VAL 190 Cb -0.04 -2.67 0.11 0.00 0.00 0.00 0.00 36.38 33.79 2v44 s VAL 190 CO -0.00 -0.45 1.83 -0.08 0.00 0.00 0.00 175.10 176.41 2v44 h GLU 191 N 7.73 0.27 0.00 2.72 4.81 -1.95 -0.56 114.58 127.60 2v44 h GLU 191 Ca -0.10 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2v44 h GLU 191 Cb 1.03 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 2v44 h GLU 191 CO 0.53 0.48 -0.06 0.00 -0.73 0.00 0.00 179.01 179.23 2v44 h ALA 192 N 1.53 1.59 -0.01 2.92 0.00 -1.96 -2.22 119.26 121.12 2v44 h ALA 192 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2v44 h ALA 192 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2v44 h ALA 192 CO 0.04 0.08 -0.27 0.54 0.00 0.00 0.00 179.25 179.63 2v44 n ARG 193 N -4.02 2.49 -1.62 0.00 1.74 -0.90 -4.98 116.66 109.37 2v44 n ARG 193 Ca -0.03 -0.46 -0.16 0.00 -0.77 0.00 0.00 57.85 56.43 2v44 n ARG 193 Cb 0.15 -1.06 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 2v44 n ARG 193 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2v44 n GLY 194 N 0.98 1.30 3.74 -0.13 0.00 -0.29 -4.97 105.19 105.83 2v44 n GLY 194 Ca 0.04 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 2v44 n GLY 194 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2v44 s GLU 195 N -3.63 4.68 -0.06 1.61 2.12 -0.80 -4.92 118.70 117.70 2v44 s GLU 195 Ca 0.00 1.60 -0.10 0.00 0.36 0.00 0.00 54.97 56.83 2v44 s GLU 195 Cb 0.00 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 31.10 2v44 s GLU 195 CO 0.00 0.21 0.24 -1.50 -0.54 0.00 0.00 175.26 173.67 2v44 s ILE 196 N -0.38 0.03 0.21 -3.70 2.07 -1.26 -0.88 121.20 117.28 2v44 s ILE 196 Ca 0.47 -0.26 -0.19 0.00 -1.41 0.00 0.00 60.65 59.26 2v44 s ILE 196 Cb -0.27 -0.44 0.03 0.00 0.13 0.00 0.00 42.46 41.92 2v44 s ILE 196 CO 0.33 -0.14 0.57 -0.62 -1.91 0.00 0.00 174.94 173.16 2v44 s ASP 197 N -0.53 -0.30 0.17 4.50 -1.08 -0.79 -5.03 116.67 113.62 2v44 s ASP 197 Ca -0.06 -0.45 -0.22 0.00 -0.52 0.00 0.00 52.55 51.30 2v44 s ASP 197 Cb -0.04 0.61 0.06 0.00 -1.46 0.00 0.00 42.92 42.09 2v44 s ASP 197 CO 0.02 -1.09 0.59 0.72 0.52 0.00 0.00 175.17 175.93 2v44 s PHE 198 N -3.87 -0.48 -0.02 -5.34 -0.12 -1.26 -1.23 117.98 105.66 2v44 s PHE 198 Ca 0.09 0.24 0.02 0.00 -0.05 0.00 0.00 56.93 57.23 2v44 s PHE 198 Cb -0.02 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.92 2v44 s PHE 198 CO -0.02 -0.87 -0.08 1.03 -0.05 0.00 0.00 175.22 175.22 2v44 s ARG 199 N -3.77 0.87 -0.04 1.99 1.81 -0.73 -5.00 118.95 114.08 2v44 s ARG 199 Ca 0.02 -0.28 -0.17 0.00 -1.72 0.00 0.00 55.73 53.58 2v44 s ARG 199 Cb -0.01 -0.83 -0.05 0.00 -0.45 0.00 0.00 34.95 33.61 2v44 s ARG 199 CO -0.11 0.11 0.46 -0.51 -0.68 0.00 0.00 175.30 174.57 2v44 s ASP 200 N 0.16 6.78 -0.10 0.23 1.01 -1.26 -1.16 116.67 122.34 2v44 s ASP 200 Ca -0.02 0.93 0.01 0.00 0.71 0.00 0.00 52.55 54.18 2v44 s ASP 200 Cb -0.08 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.59 2v44 s ASP 200 CO 0.00 0.17 -0.11 -0.63 0.21 0.00 0.00 175.17 174.82 2v44 s ILE 201 N -0.30 1.16 -0.23 0.77 1.01 0.13 -4.94 121.20 118.79 2v44 s ILE 201 Ca 0.25 -0.43 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 2v44 s ILE 201 Cb -0.16 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.21 2v44 s ILE 201 CO 0.13 0.38 1.02 -0.63 0.00 0.00 0.00 174.94 175.83 2v44 s ILE 202 N 1.19 4.70 -0.30 2.92 -1.09 -1.26 -0.81 121.20 126.55 2v44 s ILE 202 Ca -0.04 1.98 -0.10 0.00 -2.23 0.00 0.00 60.65 60.26 2v44 s ILE 202 Cb -0.14 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.43 2v44 s ILE 202 CO -0.03 -0.17 0.15 -0.69 -1.23 0.00 0.00 174.94 172.97 2v44 s VAL 203 N 3.15 4.70 -0.17 2.92 1.01 0.11 -0.44 120.40 131.68 2v44 s VAL 203 Ca 0.43 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 2v44 s VAL 203 Cb -0.15 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2v44 s VAL 203 CO 0.06 0.14 0.03 -0.63 0.00 0.00 0.00 175.10 174.70 2v44 s ILE 204 N 1.64 4.50 -0.28 2.22 1.01 -0.49 -1.77 121.20 128.02 2v44 s ILE 204 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.52 2v44 s ILE 204 Cb -0.17 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.32 2v44 s ILE 204 CO 0.07 0.48 0.02 -0.69 0.00 0.00 0.00 174.94 174.82 2v44 s VAL 205 N 0.31 3.48 -0.30 2.92 1.01 -1.26 -0.81 120.40 125.74 2v44 s VAL 205 Ca 0.01 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 2v44 s VAL 205 Cb -0.13 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.44 2v44 s VAL 205 CO 0.01 0.09 0.84 0.20 0.00 0.00 0.00 175.10 176.24 2v44 s ASN 206 N 1.41 6.72 0.00 3.32 0.01 0.11 -4.85 114.94 121.66 2v44 s ASN 206 Ca 0.01 0.75 0.29 0.00 -0.71 0.00 0.00 52.86 53.19 2v44 s ASN 206 Cb -0.17 -2.43 1.23 0.00 0.41 0.00 0.00 41.25 40.29 2v44 s ASN 206 CO -0.00 -0.65 1.85 0.55 -1.51 0.00 0.00 177.10 177.34