#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvy s ASN 15 N 0.00 1.50 0.41 0.26 4.22 -1.26 -4.99 114.94 115.08 3kvy s ASN 15 Ca 0.00 -0.22 -0.16 0.00 -2.14 0.00 0.00 52.86 50.34 3kvy s ASN 15 Cb 0.00 -0.65 -0.09 0.00 1.28 0.00 0.00 41.25 41.79 3kvy s ASN 15 CO 0.00 -0.04 0.85 -1.81 -2.04 0.00 0.00 177.10 174.06 3kvy s ASP 16 N 1.02 6.73 0.50 3.54 1.01 -1.26 -4.30 116.67 123.92 3kvy s ASP 16 Ca -0.09 1.41 -0.21 0.00 0.71 0.00 0.00 52.55 54.38 3kvy s ASP 16 Cb -0.14 -2.43 -0.07 0.00 1.01 0.00 0.00 42.92 41.29 3kvy s ASP 16 CO -0.00 -0.36 1.14 -0.76 0.21 0.00 0.00 175.17 175.40 3kvy s LEU 17 N -3.43 3.87 0.10 1.23 1.43 -1.26 -1.48 118.68 119.15 3kvy s LEU 17 Ca 0.57 2.22 -0.31 0.00 -1.03 0.00 0.00 54.13 55.58 3kvy s LEU 17 Cb -0.10 -4.43 -0.08 0.00 0.03 0.00 0.00 46.19 41.61 3kvy s LEU 17 CO 0.22 -1.06 1.53 -0.69 0.23 0.00 0.00 176.35 176.57 3kvy s VAL 18 N -1.68 3.05 0.11 -1.59 1.01 -0.92 -4.95 120.40 115.45 3kvy s VAL 18 Ca 0.68 0.66 0.07 0.00 0.00 0.00 0.00 61.98 63.40 3kvy s VAL 18 Cb -0.26 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3kvy s VAL 18 CO 0.30 0.03 -0.10 -1.10 0.00 0.00 0.00 175.10 174.23 3kvy s GLN 19 N 1.73 2.12 0.40 2.72 -1.52 -1.26 -4.69 119.66 119.16 3kvy s GLN 19 Ca 0.69 -1.05 0.08 0.00 -1.95 0.00 0.00 55.36 53.13 3kvy s GLN 19 Cb -0.39 -2.29 0.00 0.00 -0.22 0.00 0.00 33.01 30.10 3kvy s GLN 19 CO 0.31 0.50 0.51 -0.51 -0.25 0.00 0.00 175.29 175.85 3kvy s LEU 20 N -2.28 3.68 -0.57 2.90 1.43 -1.26 -4.83 118.68 117.74 3kvy s LEU 20 Ca 0.22 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 3kvy s LEU 20 Cb -0.11 -2.57 0.39 0.00 0.03 0.00 0.00 46.19 43.93 3kvy s LEU 20 CO 0.14 -0.67 1.26 0.00 0.23 0.00 0.00 176.35 177.32 3kvy s ASN 22 N -3.02 -0.42 0.13 0.00 2.47 -1.26 -5.03 114.94 107.81 3kvy s ASN 22 Ca 0.48 0.15 0.22 0.00 0.42 0.00 0.00 52.86 54.13 3kvy s ASN 22 Cb 0.37 1.51 0.88 0.00 -1.45 0.00 0.00 41.25 42.56 3kvy s ASN 22 CO -0.21 -0.31 1.68 -0.81 -3.72 0.00 0.00 177.10 173.72 3kvy n PRO 23 N 5.39 0.11 0.13 0.43 -0.04 -1.26 -3.36 135.00 136.40 3kvy n PRO 23 Ca 0.00 0.27 -0.00 0.00 -0.04 0.00 0.00 63.50 63.73 3kvy n PRO 23 Cb 0.51 -1.68 0.27 0.00 -0.04 0.00 0.00 33.50 32.55 3kvy n PRO 23 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3kvy h HIS 24 N 0.00 0.15 -0.64 0.54 3.86 -2.00 -3.31 115.15 113.75 3kvy h HIS 24 Ca 0.00 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3kvy h HIS 24 Cb 0.41 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 3kvy h HIS 24 CO 0.00 0.52 0.32 0.82 0.86 0.00 0.00 177.93 180.45 3kvy h ILE 25 N 0.11 1.22 0.00 2.45 1.08 -1.97 -1.91 117.51 118.48 3kvy h ILE 25 Ca 0.01 -0.60 -0.00 0.00 -0.39 0.00 0.00 64.86 63.87 3kvy h ILE 25 Cb 0.78 0.44 -0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3kvy h ILE 25 CO 0.06 0.25 -0.02 0.00 -0.69 0.00 0.00 178.15 177.74 3kvy h ALA 26 N 1.14 1.49 -0.13 1.87 0.00 -1.81 -2.63 119.26 119.19 3kvy h ALA 26 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kvy h ALA 26 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kvy h ALA 26 CO -0.03 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3kvy n ALA 27 N -2.32 2.52 -2.39 0.00 0.00 -0.72 -4.90 120.51 112.70 3kvy n ALA 27 Ca -0.03 -0.56 -0.36 0.00 0.00 0.00 0.00 53.44 52.49 3kvy n ALA 27 Cb 0.11 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 3kvy n ALA 27 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kvy s MET 28 N -1.85 3.99 0.43 0.00 1.00 -1.00 -4.98 119.30 116.90 3kvy s MET 28 Ca 0.34 0.50 0.23 0.00 0.00 0.00 0.00 55.69 56.76 3kvy s MET 28 Cb 0.19 -3.06 0.34 0.00 0.00 0.00 0.00 34.83 32.30 3kvy s MET 28 CO 0.30 0.56 1.60 1.57 0.00 0.00 0.00 175.02 179.05 3kvy h LYS 29 N 4.00 0.00 -3.08 2.03 2.10 -1.90 -3.45 116.57 116.27 3kvy h LYS 29 Ca -0.49 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 57.99 3kvy h LYS 29 Cb 1.20 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 32.27 3kvy h LYS 29 CO 0.64 0.00 -0.42 -2.00 -2.00 0.00 0.00 179.45 175.67 3kvy s GLU 30 N -3.21 0.29 -0.27 0.07 2.12 -1.26 -4.91 118.70 111.52 3kvy s GLU 30 Ca 0.07 0.40 -0.00 0.00 0.36 0.00 0.00 54.97 55.80 3kvy s GLU 30 Cb 0.05 0.10 0.05 0.00 0.26 0.00 0.00 34.13 34.59 3kvy s GLU 30 CO 0.67 -0.06 -0.05 0.34 -0.54 0.00 0.00 175.26 175.62 3kvy s ASP 31 N 0.36 4.60 -0.35 -1.70 2.15 -1.26 -5.00 116.67 115.46 3kvy s ASP 31 Ca -0.02 -1.22 -0.18 0.00 0.43 0.00 0.00 52.55 51.56 3kvy s ASP 31 Cb -0.03 -1.65 -0.00 0.00 -0.30 0.00 0.00 42.92 40.94 3kvy s ASP 31 CO -0.01 -0.21 0.48 -0.63 -0.17 0.00 0.00 175.17 174.63 3kvy s ILE 32 N 1.22 5.05 -1.23 4.11 1.01 -1.26 -2.11 121.20 127.98 3kvy s ILE 32 Ca -0.05 0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.71 3kvy s ILE 32 Cb -0.19 -3.94 0.13 0.00 0.01 0.00 0.00 42.46 38.47 3kvy s ILE 32 CO -0.03 -0.20 1.54 -0.76 0.00 0.00 0.00 174.94 175.49 3kvy s LEU 33 N 2.32 4.59 0.20 2.97 1.43 0.13 -4.87 118.68 125.45 3kvy s LEU 33 Ca 0.17 -2.76 -0.11 0.00 -1.03 0.00 0.00 54.13 50.40 3kvy s LEU 33 Cb -0.16 -2.47 0.23 0.00 0.03 0.00 0.00 46.19 43.83 3kvy s LEU 33 CO 0.13 -0.91 1.76 0.22 0.23 0.00 0.00 176.35 177.77 3kvy h TYR 34 N 7.36 0.42 0.00 0.29 3.20 -1.94 -0.80 116.97 125.50 3kvy h TYR 34 Ca 0.36 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.26 3kvy h TYR 34 Cb 0.88 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3kvy h TYR 34 CO 1.22 0.14 0.00 0.72 -1.64 0.00 0.00 178.16 178.60 3kvy n HIS 35 N -4.96 0.26 0.52 -3.82 8.25 -1.26 -2.40 115.22 111.81 3kvy n HIS 35 Ca 0.07 0.08 0.11 0.00 -0.26 0.00 0.00 57.72 57.72 3kvy n HIS 35 Cb 0.23 -0.63 -0.12 0.00 1.12 0.00 0.00 29.99 30.59 3kvy n HIS 35 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kvy n PHE 36 N -1.72 0.04 -3.54 4.41 0.99 -0.59 -4.28 117.46 112.77 3kvy n PHE 36 Ca 0.06 0.01 -0.24 0.00 -0.00 0.00 0.00 57.45 57.28 3kvy n PHE 36 Cb 0.32 -0.27 0.07 0.00 -1.00 0.00 0.00 39.48 38.61 3kvy n PHE 36 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3kvy n SER 37 N -1.88 -6.36 -4.39 4.37 2.88 -0.41 -4.60 113.62 103.23 3kvy n SER 37 Ca 0.00 -0.51 -0.26 0.00 -1.33 0.00 0.00 58.87 56.77 3kvy n SER 37 Cb 0.44 -5.02 -0.12 0.00 -0.75 0.00 0.00 64.21 58.77 3kvy n SER 37 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kvy s LEU 38 N -7.25 2.40 -0.08 2.46 1.02 -0.99 -4.97 118.68 111.27 3kvy s LEU 38 Ca 0.56 -0.83 -0.16 0.00 0.02 0.00 0.00 54.13 53.72 3kvy s LEU 38 Cb -0.25 -1.11 0.04 0.00 0.02 0.00 0.00 46.19 44.89 3kvy s LEU 38 CO 0.69 0.10 0.39 -0.55 0.02 0.00 0.00 176.35 177.01 3kvy s SER 39 N -2.50 -0.35 0.48 2.29 0.15 -1.26 0.22 113.70 112.74 3kvy s SER 39 Ca 0.18 0.49 0.33 0.00 0.70 0.00 0.00 55.95 57.65 3kvy s SER 39 Cb -0.08 0.58 1.61 0.00 -1.71 0.00 0.00 66.02 66.42 3kvy s SER 39 CO 0.08 -0.32 1.99 0.71 1.20 0.00 0.00 173.24 176.90 3kvy h THR 40 N 4.08 0.00 -0.00 6.45 1.35 -1.67 0.61 112.91 123.73 3kvy h THR 40 Ca -0.28 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3kvy h THR 40 Cb 1.18 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3kvy h THR 40 CO 0.33 0.00 -0.64 -1.54 -0.25 0.00 0.00 175.52 173.42 3kvy n SER 41 N -2.74 0.78 -0.00 5.36 3.41 -1.26 -4.27 113.62 114.89 3kvy n SER 41 Ca -0.01 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 3kvy n SER 41 Cb 0.15 0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3kvy n SER 41 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kvy n THR 42 N -1.36 0.00 -4.17 6.66 -2.24 -0.77 -5.06 114.28 107.34 3kvy n THR 42 Ca 0.06 -0.38 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 3kvy n THR 42 Cb 0.34 0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 69.33 3kvy n THR 42 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kvy s HIS 43 N -1.28 0.92 -0.68 4.78 4.02 0.14 -4.95 115.29 118.25 3kvy s HIS 43 Ca 0.00 -0.41 -0.15 0.00 1.02 0.00 0.00 55.06 55.52 3kvy s HIS 43 Cb 0.00 -0.54 0.17 0.00 -1.02 0.00 0.00 32.58 31.19 3kvy s HIS 43 CO 0.03 -0.01 0.63 0.34 1.02 0.00 0.00 174.74 176.74 3kvy s ASP 44 N -1.34 6.46 0.14 1.40 3.68 -1.26 -4.58 116.67 121.16 3kvy s ASP 44 Ca -0.04 -2.21 -0.14 0.00 2.13 0.00 0.00 52.55 52.30 3kvy s ASP 44 Cb -0.09 -2.21 -0.00 0.00 -1.45 0.00 0.00 42.92 39.17 3kvy s ASP 44 CO 0.01 -0.73 1.59 -0.26 0.13 0.00 0.00 175.17 175.91 3kvy h PHE 45 N 8.38 0.83 -0.56 -5.34 -1.00 -1.93 -0.35 116.94 116.96 3kvy h PHE 45 Ca -0.11 -0.14 0.01 0.00 2.81 0.00 0.00 57.97 60.54 3kvy h PHE 45 Cb 1.07 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 40.39 3kvy h PHE 45 CO 0.88 0.81 0.37 -1.35 -1.61 0.00 0.00 178.31 177.40 3kvy h PRO 46 N 0.61 0.74 -0.38 1.51 0.11 -1.76 0.14 132.00 132.98 3kvy h PRO 46 Ca 0.13 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 3kvy h PRO 46 Cb 0.46 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3kvy h PRO 46 CO 0.02 0.49 0.04 0.00 -0.21 0.00 0.00 178.00 178.34 3kvy h ALA 47 N 1.21 0.51 -0.33 -0.75 0.00 -1.84 0.15 119.26 118.21 3kvy h ALA 47 Ca 0.21 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3kvy h ALA 47 Cb -0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kvy h ALA 47 CO -0.04 0.24 -0.47 0.52 0.00 0.00 0.00 179.25 179.50 3kvy h MET 48 N 0.48 0.89 0.00 0.00 2.86 -0.89 -3.40 114.93 114.87 3kvy h MET 48 Ca 0.11 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3kvy h MET 48 Cb 0.40 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3kvy h MET 48 CO 0.01 1.16 0.00 1.19 1.06 0.00 0.00 176.91 180.33 3kvy n PHE 49 N -4.03 0.00 -0.30 -0.22 3.01 0.48 -4.85 117.46 111.55 3kvy n PHE 49 Ca -0.03 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.61 3kvy n PHE 49 Cb 0.59 0.00 0.45 0.00 -0.01 0.00 0.00 39.48 40.50 3kvy n PHE 49 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3kvy h GLY 50 N 0.00 1.27 -0.80 1.37 0.00 -0.69 -1.20 103.07 103.01 3kvy h GLY 50 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3kvy h GLY 50 CO 0.00 -0.06 0.00 2.09 0.00 0.00 0.00 176.54 178.57 3kvy n ASP 51 N -4.63 1.57 -4.72 0.19 3.85 -1.26 -4.51 116.55 107.04 3kvy n ASP 51 Ca 0.22 -1.75 -0.42 0.00 -0.71 0.00 0.00 54.79 52.13 3kvy n ASP 51 Cb 0.70 -0.12 -0.03 0.00 -1.35 0.00 0.00 41.12 40.32 3kvy n ASP 51 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3kvy s VAL 52 N -1.76 2.85 0.00 2.12 1.01 -0.46 -4.42 120.40 119.75 3kvy s VAL 52 Ca 0.30 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3kvy s VAL 52 Cb 0.16 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3kvy s VAL 52 CO 0.23 0.06 0.00 0.29 0.00 0.00 0.00 175.10 175.69 3kvy n LYS 53 N 3.59 2.20 -4.05 2.72 4.76 0.41 -4.54 118.16 123.26 3kvy n LYS 53 Ca 0.11 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.27 3kvy n LYS 53 Cb 0.40 -0.88 -0.17 0.00 -1.84 0.00 0.00 35.03 32.55 3kvy n LYS 53 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3kvy s PHE 54 N -1.62 1.78 -0.25 2.13 0.40 -0.30 -1.35 117.98 118.77 3kvy s PHE 54 Ca 0.00 -0.92 -0.01 0.00 -0.60 0.00 0.00 56.93 55.40 3kvy s PHE 54 Cb 0.00 -1.37 0.03 0.00 0.51 0.00 0.00 43.02 42.18 3kvy s PHE 54 CO 0.00 -0.55 -0.07 0.08 0.70 0.00 0.00 175.22 175.38 3kvy s VAL 55 N 1.49 2.82 -0.10 -0.44 1.01 -0.51 -0.39 120.40 124.27 3kvy s VAL 55 Ca 0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 3kvy s VAL 55 Cb -0.13 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3kvy s VAL 55 CO -0.08 0.21 -0.06 0.00 0.00 0.00 0.00 175.10 175.17 3kvy s VAL 57 N -0.31 1.17 0.16 0.00 -7.23 -0.47 -1.19 120.40 112.53 3kvy s VAL 57 Ca 0.04 -1.02 -0.23 0.00 -1.81 0.00 0.00 61.98 58.96 3kvy s VAL 57 Cb -0.13 -1.05 0.07 0.00 0.56 0.00 0.00 36.38 35.83 3kvy s VAL 57 CO 0.02 0.02 0.65 -0.83 -0.31 0.00 0.00 175.10 174.66 3kvy s GLY 58 N -1.15 -0.51 0.10 2.32 0.00 -0.94 -0.49 107.32 106.65 3kvy s GLY 58 Ca 0.02 0.41 -0.20 0.00 0.00 0.00 0.00 44.72 44.94 3kvy s GLY 58 CO 0.01 0.13 1.71 -1.33 0.00 0.00 0.00 173.10 173.63 3kvy h GLY 59 N 2.00 0.25 -6.47 0.20 0.00 -1.77 -0.61 103.07 96.67 3kvy h GLY 59 Ca -0.30 -0.11 -0.60 0.00 0.00 0.00 0.00 47.33 46.31 3kvy h GLY 59 CO 0.35 0.11 -0.24 -0.45 0.00 0.00 0.00 176.54 176.30 3kvy s SER 60 N -5.44 6.40 0.25 0.19 0.15 -1.26 -2.34 113.70 111.65 3kvy s SER 60 Ca -0.13 0.46 -0.05 0.00 0.70 0.00 0.00 55.95 56.93 3kvy s SER 60 Cb 0.08 -2.21 0.31 0.00 -1.71 0.00 0.00 66.02 62.48 3kvy s SER 60 CO 0.69 -0.06 1.89 -0.65 1.20 0.00 0.00 173.24 176.32 3kvy h PRO 61 N 7.37 1.15 -0.19 5.44 0.11 -1.96 -0.48 132.00 143.44 3kvy h PRO 61 Ca -0.36 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 3kvy h PRO 61 Cb 1.16 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3kvy h PRO 61 CO 0.71 0.76 -0.40 0.66 -0.21 0.00 0.00 178.00 179.52 3kvy h SER 62 N 1.18 0.47 -0.50 -2.05 4.64 -1.99 -0.56 113.55 114.74 3kvy h SER 62 Ca 0.38 -0.20 -0.12 0.00 -0.47 0.00 0.00 61.79 61.37 3kvy h SER 62 Cb 0.01 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 3kvy h SER 62 CO -0.13 0.82 -0.15 0.03 -0.87 0.00 0.00 176.83 176.54 3kvy h ARG 63 N 0.37 1.00 0.00 4.77 -0.00 -1.85 -1.26 114.38 117.41 3kvy h ARG 63 Ca 0.03 -0.39 -0.06 0.00 -0.50 0.00 0.00 59.98 59.06 3kvy h ARG 63 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.78 3kvy h ARG 63 CO 0.07 1.07 -0.31 0.52 0.00 0.00 0.00 179.97 181.33 3kvy h MET 64 N 0.88 0.00 -0.02 0.04 2.86 -0.77 0.41 114.93 118.33 3kvy h MET 64 Ca 0.13 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.64 3kvy h MET 64 Cb 0.72 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.39 3kvy h MET 64 CO 0.06 0.31 -0.49 -0.22 1.06 0.00 0.00 176.91 177.62 3kvy h LYS 65 N 0.00 0.36 -0.58 1.72 3.64 -1.01 -2.70 116.57 118.00 3kvy h LYS 65 Ca -0.00 -0.37 0.06 0.00 -1.27 0.00 0.00 60.65 59.07 3kvy h LYS 65 Cb 0.77 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 3kvy h LYS 65 CO 0.04 1.04 0.39 0.00 -2.27 0.00 0.00 179.45 178.65 3kvy h ALA 66 N 0.33 1.83 -0.26 5.00 0.00 -0.96 -2.20 119.26 122.99 3kvy h ALA 66 Ca -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3kvy h ALA 66 Cb 1.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3kvy h ALA 66 CO 0.10 0.08 0.02 0.35 0.00 0.00 0.00 179.25 179.79 3kvy h PHE 67 N 0.56 0.49 -0.67 0.00 3.04 -0.92 -1.21 116.94 118.23 3kvy h PHE 67 Ca 0.25 -0.08 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 3kvy h PHE 67 Cb 0.28 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 3kvy h PHE 67 CO -0.00 0.59 0.34 0.97 -2.02 0.00 0.00 178.31 178.20 3kvy h ILE 68 N 0.24 1.21 -0.42 1.41 6.09 -1.08 -0.16 117.51 124.81 3kvy h ILE 68 Ca 0.08 -0.57 -0.08 0.00 -1.37 0.00 0.00 64.86 62.92 3kvy h ILE 68 Cb 0.39 0.33 -0.01 0.00 0.47 0.00 0.00 36.82 37.99 3kvy h ILE 68 CO 0.01 0.24 -0.03 0.11 -3.07 0.00 0.00 178.15 175.41 3kvy h LYS 69 N 0.95 0.77 -0.50 2.19 1.57 -1.31 -0.32 116.57 119.91 3kvy h LYS 69 Ca 0.24 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3kvy h LYS 69 Cb 0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3kvy h LYS 69 CO -0.03 0.86 0.22 -0.92 -0.57 0.00 0.00 179.45 179.00 3kvy h TYR 70 N 0.60 0.75 -0.07 -1.35 3.20 -0.74 -2.07 116.97 117.28 3kvy h TYR 70 Ca 0.12 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 3kvy h TYR 70 Cb 0.53 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3kvy h TYR 70 CO 0.04 0.61 -0.51 -0.24 -1.64 0.00 0.00 178.16 176.42 3kvy h VAL 71 N 0.67 1.35 -0.71 1.81 3.04 -0.95 -2.26 116.25 119.20 3kvy h VAL 71 Ca 0.17 -1.76 -0.00 0.00 -1.01 0.00 0.00 66.70 64.10 3kvy h VAL 71 Cb 0.17 1.86 -0.03 0.00 -2.01 0.00 0.00 31.29 31.28 3kvy h VAL 71 CO -0.02 0.52 0.44 0.00 -1.01 0.00 0.00 177.57 177.50 3kvy h ALA 72 N 1.32 0.90 -0.60 3.17 0.00 -0.76 -1.97 119.26 121.32 3kvy h ALA 72 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3kvy h ALA 72 Cb 0.96 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3kvy h ALA 72 CO 0.08 0.36 0.16 0.52 0.00 0.00 0.00 179.25 180.36 3kvy h MET 73 N 0.97 0.95 0.00 0.00 2.07 -1.11 -0.50 114.93 117.31 3kvy h MET 73 Ca 0.26 -0.22 -0.07 0.00 -2.07 0.00 0.00 59.70 57.59 3kvy h MET 73 Cb -0.06 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.53 3kvy h MET 73 CO -0.05 0.87 -0.34 0.93 1.07 0.00 0.00 176.91 179.38 3kvy h GLU 74 N 0.87 0.00 -0.62 1.72 4.39 -1.12 -2.80 114.58 117.01 3kvy h GLU 74 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3kvy h GLU 74 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3kvy h GLU 74 CO -0.00 0.34 0.00 1.28 -1.16 0.00 0.00 179.01 179.47 3kvy n LEU 75 N -3.86 3.94 -0.56 1.33 4.77 -0.77 -4.96 117.00 116.90 3kvy n LEU 75 Ca -0.01 -2.15 -0.07 0.00 -0.03 0.00 0.00 56.01 53.75 3kvy n LEU 75 Cb 0.41 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3kvy n LEU 75 CO 0.37 0.88 -0.07 0.61 -1.33 0.00 0.00 177.39 177.85 3kvy n GLY 76 N 1.21 0.92 0.18 -0.72 0.00 -1.01 -4.88 105.19 100.88 3kvy n GLY 76 Ca 0.22 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.90 3kvy n GLY 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kvy h PHE 77 N 0.00 0.00 -4.27 1.61 -1.00 -1.36 -3.48 116.94 108.44 3kvy h PHE 77 Ca -0.15 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.12 3kvy h PHE 77 Cb 0.59 0.00 0.13 0.00 3.61 0.00 0.00 35.95 40.28 3kvy h PHE 77 CO 0.28 0.06 0.31 0.00 -1.61 0.00 0.00 178.31 177.35 3kvy s ALA 78 N -3.23 2.18 0.00 2.45 0.00 -1.03 -4.98 121.76 117.14 3kvy s ALA 78 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3kvy s ALA 78 Cb 0.07 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3kvy s ALA 78 CO 0.72 -1.81 0.00 0.72 0.00 0.00 0.00 175.76 175.39 3kvy n HIS 79 N -3.54 0.00 0.00 0.00 8.25 -1.26 -5.01 115.22 113.66 3kvy n HIS 79 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3kvy n HIS 79 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3kvy n HIS 79 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kvy n ALA 82 N -2.85 0.00 -2.58 -1.41 0.00 -1.26 -5.23 120.51 107.18 3kvy n ALA 82 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3kvy n ALA 82 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3kvy n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kvy s ASP 83 N 0.00 4.50 -0.55 0.00 2.15 -1.26 -5.09 116.67 116.43 3kvy s ASP 83 Ca 0.00 -0.22 0.03 0.00 0.43 0.00 0.00 52.55 52.80 3kvy s ASP 83 Cb 0.00 -0.99 0.14 0.00 -0.30 0.00 0.00 42.92 41.77 3kvy s ASP 83 CO 0.00 0.26 0.30 -0.31 -0.17 0.00 0.00 175.17 175.25 3kvy s TYR 84 N -1.03 3.24 0.32 -5.34 2.02 -1.26 -5.09 117.35 110.21 3kvy s TYR 84 Ca 0.18 -3.16 -0.29 0.00 -0.37 0.00 0.00 57.07 53.43 3kvy s TYR 84 Cb -0.11 -2.84 -0.10 0.00 -0.40 0.00 0.00 41.96 38.50 3kvy s TYR 84 CO 0.08 -0.73 1.30 -2.14 -1.57 0.00 0.00 175.55 172.49 3kvy s PRO 85 N -0.40 4.37 -0.33 -1.71 0.02 -1.26 -4.96 135.00 130.73 3kvy s PRO 85 Ca 0.18 2.19 -0.29 0.00 0.02 0.00 0.00 61.00 63.10 3kvy s PRO 85 Cb -0.23 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.20 3kvy s PRO 85 CO -0.02 -0.18 1.40 1.21 -0.33 0.00 0.00 177.00 179.09 3kvy s ASN 86 N -0.43 6.48 0.44 2.53 2.47 -1.26 -4.65 114.94 120.52 3kvy s ASN 86 Ca 0.49 1.12 0.19 0.00 0.42 0.00 0.00 52.86 55.09 3kvy s ASN 86 Cb -0.39 -2.54 1.03 0.00 -1.45 0.00 0.00 41.25 37.90 3kvy s ASN 86 CO 0.51 -1.26 1.94 0.40 -3.72 0.00 0.00 177.10 174.97 3kvy h ILE 87 N 6.20 0.94 -0.59 -5.21 2.04 -1.00 -2.80 117.51 117.09 3kvy h ILE 87 Ca -0.28 -0.90 -0.37 0.00 1.00 0.00 0.00 64.86 64.31 3kvy h ILE 87 Cb 1.11 1.52 -0.18 0.00 -0.74 0.00 0.00 36.82 38.53 3kvy h ILE 87 CO 1.05 0.24 0.48 0.00 0.00 0.00 0.00 178.15 179.91 3kvy s GLU 89 N -2.17 3.86 0.00 0.00 0.41 -1.06 -2.59 118.70 117.15 3kvy s GLU 89 Ca 0.37 2.24 0.00 0.00 -0.41 0.00 0.00 54.97 57.17 3kvy s GLU 89 Cb 0.30 -2.71 0.00 0.00 -1.78 0.00 0.00 34.13 29.94 3kvy s GLU 89 CO 0.02 -0.61 0.00 0.41 -0.49 0.00 0.00 175.26 174.59 3kvy n GLY 90 N 0.63 0.52 3.37 -1.39 0.00 -1.26 -4.90 105.19 102.17 3kvy n GLY 90 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3kvy n GLY 90 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kvy s THR 91 N -2.00 0.04 -0.13 2.61 -1.32 -1.07 -4.84 115.64 108.93 3kvy s THR 91 Ca 0.00 -0.32 0.17 0.00 -1.21 0.00 0.00 61.69 60.33 3kvy s THR 91 Cb 0.00 -1.01 0.28 0.00 -1.51 0.00 0.00 72.50 70.27 3kvy s THR 91 CO 0.00 -0.18 1.16 -0.90 -2.21 0.00 0.00 174.62 172.49 3kvy n ASP 92 N 0.24 2.43 -0.04 8.08 3.85 -1.26 -4.74 116.55 125.11 3kvy n ASP 92 Ca -0.18 -2.98 -0.15 0.00 -0.71 0.00 0.00 54.79 50.77 3kvy n ASP 92 Cb 0.61 -0.40 -0.08 0.00 -1.35 0.00 0.00 41.12 39.90 3kvy n ASP 92 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3kvy h ARG 93 N 0.14 0.49 -3.86 0.11 2.47 -1.92 -3.46 114.38 108.35 3kvy h ARG 93 Ca 0.00 -0.36 -0.13 0.00 -1.26 0.00 0.00 59.98 58.23 3kvy h ARG 93 Cb 0.99 0.06 -0.18 0.00 -1.65 0.00 0.00 29.97 29.19 3kvy h ARG 93 CO 0.02 0.98 -0.57 0.71 0.56 0.00 0.00 179.97 181.67 3kvy s TYR 94 N -3.85 0.23 0.17 3.04 1.51 -1.26 -4.77 117.35 112.43 3kvy s TYR 94 Ca -0.13 -0.54 0.08 0.00 -1.01 0.00 0.00 57.07 55.46 3kvy s TYR 94 Cb 0.06 -0.17 -0.04 0.00 -0.11 0.00 0.00 41.96 41.69 3kvy s TYR 94 CO 0.81 -0.33 -0.04 0.00 -1.11 0.00 0.00 175.55 174.88 3kvy s ALA 95 N -2.47 3.11 -0.10 3.71 0.00 -1.26 -4.75 121.76 119.99 3kvy s ALA 95 Ca -0.06 -1.38 -0.07 0.00 0.00 0.00 0.00 51.96 50.45 3kvy s ALA 95 Cb -0.02 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.23 3kvy s ALA 95 CO -0.04 0.49 0.25 1.41 0.00 0.00 0.00 175.76 177.88 3kvy s MET 96 N -2.84 0.24 0.06 0.00 0.00 -1.26 -1.26 119.30 114.24 3kvy s MET 96 Ca 0.26 0.47 0.02 0.00 0.00 0.00 0.00 55.69 56.44 3kvy s MET 96 Cb -0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 34.83 34.69 3kvy s MET 96 CO 0.17 -0.11 -0.07 -0.06 0.00 0.00 0.00 175.02 174.95 3kvy s PHE 97 N 0.84 0.71 -0.03 4.11 0.40 0.51 -0.26 117.98 124.26 3kvy s PHE 97 Ca -0.06 -0.64 -0.02 0.00 -0.60 0.00 0.00 56.93 55.61 3kvy s PHE 97 Cb -0.07 -0.42 0.02 0.00 0.51 0.00 0.00 43.02 43.06 3kvy s PHE 97 CO -0.05 -0.12 0.08 0.21 0.70 0.00 0.00 175.22 176.03 3kvy s LYS 98 N -2.32 0.04 -0.06 0.44 2.20 -1.26 -0.17 119.74 118.60 3kvy s LYS 98 Ca -0.03 0.21 -0.02 0.00 -0.36 0.00 0.00 55.97 55.77 3kvy s LYS 98 Cb -0.05 -0.13 0.03 0.00 -1.51 0.00 0.00 37.83 36.17 3kvy s LYS 98 CO -0.02 -0.11 0.04 0.08 -0.36 0.00 0.00 175.35 174.99 3kvy s VAL 99 N 0.75 0.05 0.00 4.02 1.01 -0.54 -5.00 120.40 120.69 3kvy s VAL 99 Ca -0.06 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3kvy s VAL 99 Cb -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.98 3kvy s VAL 99 CO -0.03 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3kvy n GLY 100 N 5.25 3.37 0.43 4.51 0.00 -1.26 -1.56 105.19 115.93 3kvy n GLY 100 Ca -0.05 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.96 3kvy n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kvy n PRO 101 N 14.00 1.55 -3.95 1.61 -0.05 -1.26 -4.71 135.00 142.19 3kvy n PRO 101 Ca 0.00 -0.84 -0.35 0.00 -0.05 0.00 0.00 63.50 62.26 3kvy n PRO 101 Cb 0.00 -1.24 -0.12 0.00 -0.05 0.00 0.00 33.50 32.08 3kvy n PRO 101 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3kvy s VAL 102 N -1.73 4.18 -0.11 0.52 1.01 -0.60 -0.44 120.40 123.23 3kvy s VAL 102 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 3kvy s VAL 102 Cb 0.11 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3kvy s VAL 102 CO 0.15 0.40 -0.06 -0.22 0.00 0.00 0.00 175.10 175.37 3kvy s LEU 103 N 1.15 3.17 -0.13 3.92 2.96 0.47 -1.47 118.68 128.75 3kvy s LEU 103 Ca 0.03 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3kvy s LEU 103 Cb -0.14 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.84 3kvy s LEU 103 CO 0.02 0.28 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.58 3kvy s SER 104 N -0.29 2.89 -0.02 3.68 0.15 0.76 -0.63 113.70 120.24 3kvy s SER 104 Ca 0.04 -0.55 0.02 0.00 0.70 0.00 0.00 55.95 56.17 3kvy s SER 104 Cb -0.13 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 3kvy s SER 104 CO 0.02 0.06 -0.08 -0.69 1.20 0.00 0.00 173.24 173.75 3kvy s VAL 105 N 0.89 0.67 0.49 4.45 1.01 -0.33 -0.36 120.40 127.21 3kvy s VAL 105 Ca -0.07 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 3kvy s VAL 105 Cb -0.15 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3kvy s VAL 105 CO -0.02 0.21 0.81 -0.94 0.00 0.00 0.00 175.10 175.15 3kvy s SER 106 N 0.12 6.27 0.00 3.32 1.04 -0.39 -2.20 113.70 121.85 3kvy s SER 106 Ca -0.01 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.40 3kvy s SER 106 Cb -0.07 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.78 3kvy s SER 106 CO 0.00 -0.60 0.24 0.00 0.98 0.00 0.00 173.24 173.86 3kvy n HIS 107 N -2.26 0.00 -4.53 5.02 1.44 -0.24 -4.51 115.22 110.13 3kvy n HIS 107 Ca 0.01 -0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3kvy n HIS 107 Cb 0.55 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.66 3kvy n HIS 107 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kvy n GLY 108 N -0.01 -0.15 3.24 -1.39 0.00 -0.99 -3.32 105.19 102.58 3kvy n GLY 108 Ca 0.00 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 3kvy n GLY 108 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kvy s MET 109 N 0.00 3.07 0.00 1.61 -1.94 -1.26 -4.36 119.30 116.42 3kvy s MET 109 Ca 0.00 -0.85 0.00 0.00 -1.71 0.00 0.00 55.69 53.13 3kvy s MET 109 Cb 0.00 -2.34 0.00 0.00 2.01 0.00 0.00 34.83 34.50 3kvy s MET 109 CO 0.00 0.19 0.00 0.41 -0.01 0.00 0.00 175.02 175.61 3kvy n GLY 110 N 3.49 2.90 0.23 -0.03 0.00 -1.26 -4.51 105.19 106.01 3kvy n GLY 110 Ca -0.19 -1.78 -0.03 0.00 0.00 0.00 0.00 46.02 44.02 3kvy n GLY 110 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kvy h VAL 111 N 0.00 0.42 -0.82 1.61 2.07 -1.78 -1.46 116.25 116.30 3kvy h VAL 111 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3kvy h VAL 111 Cb 0.00 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 3kvy h VAL 111 CO 0.00 0.00 0.36 -0.65 0.02 0.00 0.00 177.57 177.30 3kvy h PRO 112 N -0.03 1.21 -0.34 1.57 0.11 -1.91 0.70 132.00 133.30 3kvy h PRO 112 Ca 0.25 -0.20 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 3kvy h PRO 112 Cb 0.42 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3kvy h PRO 112 CO -0.56 0.95 0.05 1.03 -0.21 0.00 0.00 178.00 179.26 3kvy h SER 113 N 1.18 0.55 0.40 -2.05 0.87 -1.62 -1.83 113.55 111.06 3kvy h SER 113 Ca 0.28 -0.27 -0.15 0.00 -1.23 0.00 0.00 61.79 60.42 3kvy h SER 113 Cb 0.17 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3kvy h SER 113 CO -0.03 0.68 -0.64 -0.29 -0.53 0.00 0.00 176.83 176.02 3kvy h ILE 114 N 0.40 1.40 -0.64 2.23 2.10 -1.23 -2.94 117.51 118.84 3kvy h ILE 114 Ca 0.10 -2.08 0.01 0.00 1.08 0.00 0.00 64.86 63.98 3kvy h ILE 114 Cb 0.37 2.07 -0.03 0.00 -1.09 0.00 0.00 36.82 38.14 3kvy h ILE 114 CO 0.01 0.61 0.41 0.00 -1.08 0.00 0.00 178.15 178.10 3kvy h ALA 115 N 1.16 0.81 -0.21 0.18 0.00 -0.65 0.16 119.26 120.71 3kvy h ALA 115 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kvy h ALA 115 Cb 1.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3kvy h ALA 115 CO 0.10 0.21 0.13 0.82 0.00 0.00 0.00 179.25 180.51 3kvy h ILE 116 N 0.84 1.07 -0.65 0.00 2.04 -1.31 -1.87 117.51 117.63 3kvy h ILE 116 Ca 0.24 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.99 3kvy h ILE 116 Cb -0.06 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3kvy h ILE 116 CO -0.07 0.07 0.36 -0.03 0.00 0.00 0.00 178.15 178.48 3kvy h MET 117 N 0.27 0.65 -0.60 2.37 4.05 -1.27 -2.79 114.93 117.61 3kvy h MET 117 Ca 0.08 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 3kvy h MET 117 Cb -0.00 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 3kvy h MET 117 CO -0.02 0.43 0.22 -0.07 0.23 0.00 0.00 176.91 177.71 3kvy h LEU 118 N 0.67 0.85 -0.11 3.39 3.38 -0.21 0.85 115.31 124.13 3kvy h LEU 118 Ca 0.29 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3kvy h LEU 118 Cb 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3kvy h LEU 118 CO -0.18 0.80 -0.02 0.45 0.09 0.00 0.00 178.44 179.58 3kvy h HIS 119 N 0.84 -0.05 0.00 1.13 3.86 -1.20 0.50 115.15 120.24 3kvy h HIS 119 Ca 0.20 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.30 3kvy h HIS 119 Cb 0.23 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 3kvy h HIS 119 CO 0.01 -0.04 -0.54 0.93 0.86 0.00 0.00 177.93 179.15 3kvy h GLU 120 N 0.00 0.00 0.03 2.45 5.08 -1.32 -2.33 114.58 118.49 3kvy h GLU 120 Ca 0.05 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.21 3kvy h GLU 120 Cb 0.08 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.35 3kvy h GLU 120 CO -0.11 0.54 -0.82 1.25 -1.00 0.00 0.00 179.01 178.87 3kvy h LEU 121 N 0.00 0.67 -1.02 1.33 5.85 -0.58 -1.30 115.31 120.27 3kvy h LEU 121 Ca -0.01 -0.78 -0.05 0.00 0.84 0.00 0.00 57.88 57.88 3kvy h LEU 121 Cb 1.08 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 3kvy h LEU 121 CO 0.07 1.37 0.11 0.40 -0.34 0.00 0.00 178.44 180.05 3kvy h ILE 122 N 0.05 1.23 -0.59 4.05 2.04 -0.89 -0.70 117.51 122.69 3kvy h ILE 122 Ca -0.11 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 3kvy h ILE 122 Cb 1.52 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 3kvy h ILE 122 CO 0.16 0.31 0.15 0.11 0.00 0.00 0.00 178.15 178.88 3kvy h LYS 123 N 0.78 0.95 -0.24 2.37 1.57 -1.44 -1.51 116.57 119.05 3kvy h LYS 123 Ca 0.17 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3kvy h LYS 123 Cb 0.32 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3kvy h LYS 123 CO 0.00 0.87 -0.04 1.25 -0.57 0.00 0.00 179.45 180.97 3kvy h LEU 124 N 0.86 -0.18 -1.12 2.94 6.46 -0.59 0.97 115.31 124.65 3kvy h LEU 124 Ca 0.19 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.97 3kvy h LEU 124 Cb 0.35 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 3kvy h LEU 124 CO 0.00 -0.06 0.17 -0.07 -0.62 0.00 0.00 178.44 177.86 3kvy h LEU 125 N 0.03 0.73 -0.16 2.25 3.38 -1.04 -1.06 115.31 119.43 3kvy h LEU 125 Ca 0.12 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kvy h LEU 125 Cb 0.17 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kvy h LEU 125 CO -0.23 0.69 -0.08 0.22 0.09 0.00 0.00 178.44 179.13 3kvy h TYR 126 N 0.77 0.40 -0.69 1.13 5.03 -0.83 -1.70 116.97 121.09 3kvy h TYR 126 Ca 0.18 -0.10 0.01 0.00 2.58 0.00 0.00 58.73 61.40 3kvy h TYR 126 Cb 0.23 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.38 3kvy h TYR 126 CO 0.01 0.66 0.45 0.45 -1.32 0.00 0.00 178.16 178.42 3kvy h HIS 127 N 0.02 0.85 0.00 -3.82 3.86 -0.64 -2.07 115.15 113.34 3kvy h HIS 127 Ca 0.04 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3kvy h HIS 127 Cb 0.56 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3kvy h HIS 127 CO 0.07 0.52 0.00 0.00 0.86 0.00 0.00 177.93 179.38 3kvy n ALA 128 N -2.43 2.19 -3.39 2.45 0.00 -0.42 -4.34 120.51 114.57 3kvy n ALA 128 Ca 0.08 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3kvy n ALA 128 Cb 0.06 -1.42 0.06 0.00 0.00 0.00 0.00 19.45 18.15 3kvy n ALA 128 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kvy n HIS 129 N -1.56 -2.47 -1.49 0.00 -0.00 -0.78 -4.26 115.22 104.67 3kvy n HIS 129 Ca 0.06 0.84 -0.33 0.00 -0.00 0.00 0.00 57.72 58.29 3kvy n HIS 129 Cb 0.31 -4.59 0.08 0.00 -0.00 0.00 0.00 29.99 25.79 3kvy n HIS 129 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kvy s SER 131 N -2.61 -0.01 -1.37 0.00 1.04 -1.26 -2.16 113.70 107.33 3kvy s SER 131 Ca 0.68 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.81 3kvy s SER 131 Cb -0.22 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.17 3kvy s SER 131 CO 0.47 -0.45 1.16 0.61 0.98 0.00 0.00 173.24 176.00 3kvy n GLY 132 N 1.14 -0.53 3.83 7.32 0.00 -0.55 -4.85 105.19 111.55 3kvy n GLY 132 Ca -0.21 0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3kvy n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kvy s VAL 133 N -3.32 4.59 -0.08 1.61 1.01 -1.26 -4.89 120.40 118.06 3kvy s VAL 133 Ca 0.55 1.17 0.05 0.00 0.00 0.00 0.00 61.98 63.75 3kvy s VAL 133 Cb -0.25 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 3kvy s VAL 133 CO 0.74 -0.01 -0.24 -0.89 0.00 0.00 0.00 175.10 174.70 3kvy s THR 134 N -1.79 1.99 -0.16 3.92 2.01 -0.46 -4.32 115.64 116.84 3kvy s THR 134 Ca 0.50 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 3kvy s THR 134 Cb -0.13 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 3kvy s THR 134 CO 0.19 0.55 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.87 3kvy s LEU 135 N 0.15 3.18 -0.07 4.42 1.02 -0.67 -1.43 118.68 125.28 3kvy s LEU 135 Ca -0.12 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 53.85 3kvy s LEU 135 Cb -0.16 -1.77 0.02 0.00 0.02 0.00 0.00 46.19 44.30 3kvy s LEU 135 CO 0.06 0.14 -0.05 -0.63 0.02 0.00 0.00 176.35 175.90 3kvy s ILE 136 N 0.51 0.69 -0.06 -0.59 1.01 -0.53 -1.28 121.20 120.95 3kvy s ILE 136 Ca -0.04 -0.14 -0.26 0.00 0.00 0.00 0.00 60.65 60.22 3kvy s ILE 136 Cb -0.14 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 3kvy s ILE 136 CO 0.03 0.29 0.81 -0.60 0.00 0.00 0.00 174.94 175.47 3kvy s ARG 137 N 1.40 4.46 -0.20 2.79 3.52 0.06 -1.37 118.95 129.60 3kvy s ARG 137 Ca -0.03 1.08 -0.01 0.00 -0.13 0.00 0.00 55.73 56.64 3kvy s ARG 137 Cb -0.13 -3.47 0.01 0.00 -1.56 0.00 0.00 34.95 29.79 3kvy s ARG 137 CO -0.03 -0.04 -0.13 0.96 -0.81 0.00 0.00 175.30 175.25 3kvy s ILE 138 N 1.08 2.61 0.00 4.11 -4.36 0.35 -0.88 121.20 124.12 3kvy s ILE 138 Ca 0.42 -0.75 0.00 0.00 -0.26 0.00 0.00 60.65 60.06 3kvy s ILE 138 Cb -0.19 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.38 3kvy s ILE 138 CO 0.20 0.49 0.00 0.61 0.24 0.00 0.00 174.94 176.49 3kvy n GLY 139 N 4.67 3.60 3.43 6.27 0.00 -0.80 -4.19 105.19 118.18 3kvy n GLY 139 Ca -0.20 -1.25 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 3kvy n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvy s THR 140 N -2.21 2.05 0.29 2.61 -4.23 -1.26 -1.91 115.64 110.98 3kvy s THR 140 Ca 0.00 -2.26 -0.20 0.00 -1.18 0.00 0.00 61.69 58.05 3kvy s THR 140 Cb 0.00 -2.30 0.04 0.00 1.34 0.00 0.00 72.50 71.58 3kvy s THR 140 CO 0.00 -0.42 0.78 -0.94 -0.54 0.00 0.00 174.62 173.51 3kvy s SER 141 N -3.45 -0.16 -0.13 3.99 1.04 -0.19 -4.81 113.70 109.99 3kvy s SER 141 Ca 0.28 -0.74 -0.10 0.00 0.48 0.00 0.00 55.95 55.87 3kvy s SER 141 Cb -0.01 0.72 -0.05 0.00 0.10 0.00 0.00 66.02 66.79 3kvy s SER 141 CO 0.12 -1.37 0.20 -0.83 0.98 0.00 0.00 173.24 172.33 3kvy s GLY 142 N -2.99 2.18 0.37 7.32 0.00 -0.37 -1.05 107.32 112.78 3kvy s GLY 142 Ca 0.13 -0.57 -0.05 0.00 0.00 0.00 0.00 44.72 44.24 3kvy s GLY 142 CO 0.08 -0.04 0.64 -0.32 0.00 0.00 0.00 173.10 173.46 3kvy s GLY 143 N -0.42 1.66 -0.22 0.20 0.00 -0.34 -0.36 107.32 107.83 3kvy s GLY 143 Ca 0.15 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.31 3kvy s GLY 143 CO 0.04 -0.45 -0.12 -0.42 0.00 0.00 0.00 173.10 172.14 3kvy s ILE 144 N -2.35 1.89 -1.24 0.90 1.01 -0.04 -0.89 121.20 120.48 3kvy s ILE 144 Ca 0.45 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3kvy s ILE 144 Cb -0.10 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.44 3kvy s ILE 144 CO 0.35 0.17 0.00 0.61 0.00 0.00 0.00 174.94 176.07 3kvy n GLY 145 N 4.59 -0.20 3.19 6.18 0.00 -1.26 -4.77 105.19 112.92 3kvy n GLY 145 Ca -0.16 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 3kvy n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvy s LEU 146 N -4.13 2.20 0.39 0.99 1.43 -1.26 -5.12 118.68 113.18 3kvy s LEU 146 Ca 0.00 -0.52 -0.27 0.00 -1.03 0.00 0.00 54.13 52.31 3kvy s LEU 146 Cb 0.00 -0.72 -0.09 0.00 0.03 0.00 0.00 46.19 45.41 3kvy s LEU 146 CO 0.00 0.05 1.34 -1.83 0.23 0.00 0.00 176.35 176.14 3kvy s GLU 147 N -1.31 4.05 0.41 1.70 -1.05 -1.26 -4.45 118.70 116.78 3kvy s GLU 147 Ca 0.03 2.25 -0.26 0.00 -0.15 0.00 0.00 54.97 56.85 3kvy s GLU 147 Cb -0.09 -2.85 -0.10 0.00 -0.44 0.00 0.00 34.13 30.66 3kvy s GLU 147 CO 0.02 -0.46 1.22 -2.30 0.95 0.00 0.00 175.26 174.69 3kvy n PRO 148 N 0.29 1.83 -0.18 -4.83 -0.02 -1.26 -2.09 135.00 128.74 3kvy n PRO 148 Ca 0.03 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3kvy n PRO 148 Cb 0.42 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3kvy n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvy n GLY 149 N 0.88 1.18 3.77 -1.23 0.00 0.28 -5.01 105.19 105.07 3kvy n GLY 149 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3kvy n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kvy s SER 150 N -2.98 6.58 -0.14 1.61 0.01 -0.89 -4.67 113.70 113.22 3kvy s SER 150 Ca 0.00 2.58 -0.10 0.00 1.31 0.00 0.00 55.95 59.75 3kvy s SER 150 Cb 0.00 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 3kvy s SER 150 CO 0.00 -0.66 0.18 -0.69 0.41 0.00 0.00 173.24 172.49 3kvy s VAL 151 N -1.24 5.40 -0.15 3.43 1.01 -0.24 -0.58 120.40 128.04 3kvy s VAL 151 Ca 0.53 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 3kvy s VAL 151 Cb -0.37 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3kvy s VAL 151 CO 0.48 0.53 -0.08 -0.69 0.00 0.00 0.00 175.10 175.34 3kvy s VAL 152 N -0.40 3.53 -0.34 2.92 1.01 0.28 -1.25 120.40 126.15 3kvy s VAL 152 Ca 0.14 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 3kvy s VAL 152 Cb -0.12 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3kvy s VAL 152 CO 0.03 0.51 0.24 -0.63 0.00 0.00 0.00 175.10 175.25 3kvy s ILE 153 N 0.37 5.25 -0.04 2.22 1.01 0.37 -2.08 121.20 128.29 3kvy s ILE 153 Ca -0.07 -0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 3kvy s ILE 153 Cb -0.15 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 3kvy s ILE 153 CO 0.04 -0.02 1.47 -0.89 0.00 0.00 0.00 174.94 175.54 3kvy s THR 154 N 1.72 3.73 -0.11 2.92 2.01 -0.49 -2.59 115.64 122.83 3kvy s THR 154 Ca 0.06 1.02 -0.20 0.00 0.31 0.00 0.00 61.69 62.87 3kvy s THR 154 Cb -0.17 -3.66 -0.27 0.00 0.01 0.00 0.00 72.50 68.41 3kvy s THR 154 CO 0.10 -0.05 0.63 -0.09 -0.69 0.00 0.00 174.62 174.53 3kvy h ARG 155 N 8.47 0.19 -3.40 4.92 2.43 -1.46 -3.42 114.38 122.11 3kvy h ARG 155 Ca -0.36 -0.32 -0.28 0.00 -0.81 0.00 0.00 59.98 58.21 3kvy h ARG 155 Cb 1.17 0.12 -0.33 0.00 -0.42 0.00 0.00 29.97 30.50 3kvy h ARG 155 CO 0.93 1.15 -0.67 -1.14 -1.51 0.00 0.00 179.97 178.73 3kvy s GLN 156 N -2.41 0.02 0.29 0.20 0.74 -1.26 -2.66 119.66 114.59 3kvy s GLN 156 Ca -0.19 0.28 -0.21 0.00 0.05 0.00 0.00 55.36 55.28 3kvy s GLN 156 Cb 0.02 -0.23 -0.09 0.00 1.10 0.00 0.00 33.01 33.82 3kvy s GLN 156 CO 0.75 -0.17 0.82 0.00 -0.55 0.00 0.00 175.29 176.13 3kvy s ALA 157 N 1.15 3.29 -0.04 1.58 0.00 -0.92 -1.71 121.76 125.11 3kvy s ALA 157 Ca -0.09 0.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 3kvy s ALA 157 Cb -0.12 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 20.05 3kvy s ALA 157 CO -0.04 0.26 0.12 0.08 0.00 0.00 0.00 175.76 176.18 3kvy s VAL 158 N -1.70 0.01 0.91 0.00 1.01 0.44 -4.31 120.40 116.75 3kvy s VAL 158 Ca 0.49 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 3kvy s VAL 158 Cb -0.15 -0.21 0.16 0.00 0.00 0.00 0.00 36.38 36.18 3kvy s VAL 158 CO 0.20 -0.06 1.26 1.51 0.00 0.00 0.00 175.10 178.02 3kvy s ASP 159 N -0.14 3.55 0.00 3.32 3.84 -0.12 -0.81 116.67 126.32 3kvy s ASP 159 Ca -0.02 0.36 0.08 0.00 -0.00 0.00 0.00 52.55 52.96 3kvy s ASP 159 Cb -0.02 -0.54 0.39 0.00 -1.38 0.00 0.00 42.92 41.37 3kvy s ASP 159 CO 0.00 -2.46 1.13 -2.65 -0.00 0.00 0.00 175.17 171.19 3kvy n PRO 160 N -3.59 0.10 -0.02 2.11 -0.02 -1.26 -0.23 135.00 132.09 3kvy n PRO 160 Ca 0.13 0.22 0.08 0.00 -2.02 0.00 0.00 63.50 61.92 3kvy n PRO 160 Cb 0.60 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.66 3kvy n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kvy n PHE 162 N 0.93 0.00 -3.56 0.00 0.99 0.68 -5.04 117.46 111.45 3kvy n PHE 162 Ca 0.10 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.18 3kvy n PHE 162 Cb 0.42 -0.16 -0.07 0.00 -1.00 0.00 0.00 39.48 38.67 3kvy n PHE 162 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3kvy s LYS 163 N -0.83 4.07 -1.24 -1.08 1.02 -1.26 -4.68 119.74 115.73 3kvy s LYS 163 Ca 0.00 0.16 -0.12 0.00 0.02 0.00 0.00 55.97 56.03 3kvy s LYS 163 Cb 0.00 -3.35 -0.06 0.00 -0.52 0.00 0.00 37.83 33.90 3kvy s LYS 163 CO 0.00 0.41 2.37 -0.35 -0.92 0.00 0.00 175.35 176.86 3kvy n PRO 164 N 2.95 2.67 -4.07 -1.68 -0.04 -1.26 -0.94 135.00 132.62 3kvy n PRO 164 Ca -0.13 -2.04 -0.14 0.00 -0.04 0.00 0.00 63.50 61.15 3kvy n PRO 164 Cb 0.52 -2.85 -0.13 0.00 -0.04 0.00 0.00 33.50 31.01 3kvy n PRO 164 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kvy s GLU 165 N 3.27 0.43 -0.22 0.54 2.02 -1.26 -2.60 118.70 120.86 3kvy s GLU 165 Ca 0.54 -0.47 -0.03 0.00 0.02 0.00 0.00 54.97 55.03 3kvy s GLU 165 Cb 0.14 -0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.10 3kvy s GLU 165 CO -0.03 0.06 -0.06 0.12 0.02 0.00 0.00 175.26 175.38 3kvy s PHE 166 N -0.81 2.96 -0.08 1.61 2.19 0.24 -4.44 117.98 119.65 3kvy s PHE 166 Ca -0.05 -1.10 -0.13 0.00 0.33 0.00 0.00 56.93 55.97 3kvy s PHE 166 Cb -0.06 -2.09 -0.05 0.00 -1.31 0.00 0.00 43.02 39.51 3kvy s PHE 166 CO 0.00 -0.60 0.33 -2.00 1.83 0.00 0.00 175.22 174.78 3kvy s GLU 167 N 1.44 3.99 -0.01 10.12 2.12 -1.26 -1.37 118.70 133.72 3kvy s GLU 167 Ca 0.05 0.23 -0.02 0.00 0.36 0.00 0.00 54.97 55.58 3kvy s GLU 167 Cb -0.15 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3kvy s GLU 167 CO -0.04 0.51 0.05 -1.14 -0.54 0.00 0.00 175.26 174.10 3kvy s GLN 168 N -0.41 0.14 -0.30 4.30 0.74 0.58 -4.98 119.66 119.73 3kvy s GLN 168 Ca 0.20 -0.08 -0.14 0.00 0.05 0.00 0.00 55.36 55.40 3kvy s GLN 168 Cb -0.15 0.06 -0.03 0.00 1.10 0.00 0.00 33.01 33.99 3kvy s GLN 168 CO 0.08 -0.02 0.32 0.42 -0.55 0.00 0.00 175.29 175.54 3kvy s ILE 169 N -0.34 5.21 -0.20 -2.34 1.01 -1.26 -0.16 121.20 123.12 3kvy s ILE 169 Ca -0.04 0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.89 3kvy s ILE 169 Cb -0.03 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.77 3kvy s ILE 169 CO 0.00 0.08 -0.18 -0.69 0.00 0.00 0.00 174.94 174.16 3kvy s VAL 170 N 1.97 2.07 -1.34 2.92 1.01 0.53 -4.63 120.40 122.94 3kvy s VAL 170 Ca 0.12 -1.11 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 3kvy s VAL 170 Cb -0.16 -1.96 0.07 0.00 0.00 0.00 0.00 36.38 34.33 3kvy s VAL 170 CO 0.11 0.39 0.53 0.18 0.00 0.00 0.00 175.10 176.31 3kvy n LEU 171 N 4.58 -1.74 0.00 3.92 4.77 -1.26 -1.37 117.00 125.89 3kvy n LEU 171 Ca -0.19 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3kvy n LEU 171 Cb 0.48 -2.25 0.00 0.00 -2.33 0.00 0.00 43.42 39.32 3kvy n LEU 171 CO 0.25 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3kvy n GLY 172 N -1.24 1.27 3.66 -0.72 0.00 -1.26 -5.04 105.19 101.85 3kvy n GLY 172 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3kvy n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvy s LYS 173 N -0.48 2.91 0.15 1.61 3.01 -0.47 -5.06 119.74 121.40 3kvy s LYS 173 Ca 0.00 -0.45 -0.30 0.00 -1.01 0.00 0.00 55.97 54.20 3kvy s LYS 173 Cb 0.00 -2.73 -0.07 0.00 -1.01 0.00 0.00 37.83 34.01 3kvy s LYS 173 CO 0.00 0.69 1.23 1.03 0.51 0.00 0.00 175.35 178.81 3kvy s ARG 174 N -0.90 4.45 0.01 1.68 0.52 -1.26 -0.35 118.95 123.10 3kvy s ARG 174 Ca 0.13 1.88 0.04 0.00 -0.52 0.00 0.00 55.73 57.27 3kvy s ARG 174 Cb -0.11 -3.26 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 3kvy s ARG 174 CO 0.02 -0.18 -0.13 -1.21 0.02 0.00 0.00 175.30 173.82 3kvy s GLU 175 N 0.24 1.00 0.02 3.54 2.02 0.77 -4.94 118.70 121.36 3kvy s GLU 175 Ca 0.56 -0.55 0.07 0.00 0.02 0.00 0.00 54.97 55.07 3kvy s GLU 175 Cb -0.33 -0.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.91 3kvy s GLU 175 CO 0.34 0.26 -0.21 0.14 0.02 0.00 0.00 175.26 175.81 3kvy s VAL 176 N -0.47 1.66 0.08 2.63 -7.23 -1.26 -0.31 120.40 115.51 3kvy s VAL 176 Ca 0.04 -1.08 0.07 0.00 -1.81 0.00 0.00 61.98 59.19 3kvy s VAL 176 Cb -0.06 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 3kvy s VAL 176 CO 0.00 0.30 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.78 3kvy s ARG 177 N -0.92 1.02 0.40 4.82 0.52 -0.47 -4.94 118.95 119.38 3kvy s ARG 177 Ca 0.08 -1.05 -0.24 0.00 -0.52 0.00 0.00 55.73 53.99 3kvy s ARG 177 Cb -0.08 -1.17 -0.08 0.00 0.52 0.00 0.00 34.95 34.13 3kvy s ARG 177 CO 0.01 0.27 1.12 1.21 0.02 0.00 0.00 175.30 177.93 3kvy s ASN 178 N -1.76 6.59 -0.26 0.23 2.47 -1.26 -0.59 114.94 120.36 3kvy s ASN 178 Ca 0.03 2.21 0.09 0.00 0.42 0.00 0.00 52.86 55.61 3kvy s ASN 178 Cb -0.10 -2.60 0.45 0.00 -1.45 0.00 0.00 41.25 37.55 3kvy s ASN 178 CO 0.03 -0.62 1.20 0.35 -3.72 0.00 0.00 177.10 174.34 3kvy n THR 179 N -0.03 2.38 -2.17 -5.21 -2.24 -1.07 -4.28 114.28 101.66 3kvy n THR 179 Ca 0.05 -3.82 -0.33 0.00 -2.27 0.00 0.00 64.05 57.68 3kvy n THR 179 Cb 0.48 -0.76 -0.00 0.00 -2.10 0.00 0.00 70.33 67.95 3kvy n THR 179 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kvy s ASP 180 N -3.46 5.97 0.19 3.42 1.01 -1.26 -2.18 116.67 120.36 3kvy s ASP 180 Ca 0.46 1.81 0.09 0.00 0.71 0.00 0.00 52.55 55.62 3kvy s ASP 180 Cb 0.39 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 3kvy s ASP 180 CO -0.00 -1.04 -0.10 -0.76 0.21 0.00 0.00 175.17 173.48 3kvy s LEU 181 N -4.27 2.95 -0.16 1.23 1.43 -1.09 -4.89 118.68 113.89 3kvy s LEU 181 Ca 0.64 -0.60 -0.34 0.00 -1.03 0.00 0.00 54.13 52.80 3kvy s LEU 181 Cb -0.15 -1.63 -0.11 0.00 0.03 0.00 0.00 46.19 44.33 3kvy s LEU 181 CO 0.33 0.10 1.99 -0.67 0.23 0.00 0.00 176.35 178.34 3kvy n ASP 182 N 0.01 3.16 -0.13 2.29 -0.08 -1.26 -4.88 116.55 115.67 3kvy n ASP 182 Ca -0.11 0.75 -0.07 0.00 -1.51 0.00 0.00 54.79 53.86 3kvy n ASP 182 Cb 0.56 -1.38 0.10 0.00 2.34 0.00 0.00 41.12 42.75 3kvy n ASP 182 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3kvy h GLU 183 N 10.72 0.86 -0.47 -0.67 4.39 -1.94 -2.71 114.58 124.76 3kvy h GLU 183 Ca -0.43 -0.27 -0.08 0.00 0.34 0.00 0.00 59.36 58.91 3kvy h GLU 183 Cb 1.28 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3kvy h GLU 183 CO 0.96 0.90 -0.04 0.37 -1.16 0.00 0.00 179.01 180.05 3kvy h GLN 184 N 0.79 0.86 -0.89 2.33 4.15 -2.00 -2.55 115.11 117.80 3kvy h GLN 184 Ca 0.14 -0.29 0.01 0.00 0.77 0.00 0.00 58.65 59.28 3kvy h GLN 184 Cb 0.56 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 3kvy h GLN 184 CO 0.03 0.92 0.59 1.25 -1.93 0.00 0.00 178.83 179.69 3kvy h LEU 185 N 0.71 1.02 -0.74 -2.39 6.46 -1.92 -1.54 115.31 116.91 3kvy h LEU 185 Ca 0.13 -0.03 -0.12 0.00 -0.12 0.00 0.00 57.88 57.74 3kvy h LEU 185 Cb 0.56 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3kvy h LEU 185 CO 0.03 0.74 -0.29 -0.37 -0.62 0.00 0.00 178.44 177.93 3kvy h VAL 186 N 1.20 1.28 -0.53 1.05 -1.51 -1.24 -0.36 116.25 116.15 3kvy h VAL 186 Ca 0.32 -1.40 -0.11 0.00 -1.23 0.00 0.00 66.70 64.28 3kvy h VAL 186 Cb -0.14 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 3kvy h VAL 186 CO -0.07 0.45 -0.12 1.56 -1.23 0.00 0.00 177.57 178.16 3kvy h GLN 187 N 0.55 1.00 -0.37 5.19 1.08 -1.18 -0.73 115.11 120.65 3kvy h GLN 187 Ca 0.07 -0.37 0.01 0.00 -1.45 0.00 0.00 58.65 56.90 3kvy h GLN 187 Cb 0.78 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.13 3kvy h GLN 187 CO 0.06 1.05 0.24 1.49 -0.95 0.00 0.00 178.83 180.72 3kvy h GLU 188 N 0.89 0.48 -0.80 1.46 4.81 -1.04 -1.49 114.58 118.89 3kvy h GLU 188 Ca 0.14 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3kvy h GLU 188 Cb 0.68 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 3kvy h GLU 188 CO 0.05 0.32 0.43 -0.07 -0.73 0.00 0.00 179.01 179.01 3kvy h LEU 189 N 0.49 0.99 -0.74 1.64 4.07 -0.80 -1.11 115.31 119.86 3kvy h LEU 189 Ca 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 3kvy h LEU 189 Cb -0.05 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.41 3kvy h LEU 189 CO -0.04 0.80 0.38 0.00 -1.08 0.00 0.00 178.44 178.51 3kvy h ALA 190 N 1.36 0.95 -0.67 1.53 0.00 -0.80 -1.82 119.26 119.80 3kvy h ALA 190 Ca 0.28 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3kvy h ALA 190 Cb 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3kvy h ALA 190 CO -0.05 0.48 0.15 0.00 0.00 0.00 0.00 179.25 179.84 3kvy h ARG 191 N 1.02 1.07 -0.76 0.00 3.08 -0.64 -1.50 114.38 116.65 3kvy h ARG 191 Ca 0.26 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3kvy h ARG 191 Cb 0.07 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 3kvy h ARG 191 CO -0.04 0.95 0.49 0.00 -1.07 0.00 0.00 179.97 180.30 3kvy h SER 193 N 1.03 0.77 -0.68 0.00 0.87 -1.01 -2.33 113.55 112.20 3kvy h SER 193 Ca 0.28 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3kvy h SER 193 Cb -0.09 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.62 3kvy h SER 193 CO -0.06 0.93 0.40 0.00 -0.53 0.00 0.00 176.83 177.57 3kvy h ALA 194 N 1.14 1.40 -0.45 6.23 0.00 -0.86 -2.18 119.26 124.54 3kvy h ALA 194 Ca 0.11 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3kvy h ALA 194 Cb 0.64 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kvy h ALA 194 CO 0.04 0.51 -0.05 0.93 0.00 0.00 0.00 179.25 180.68 3kvy h GLU 195 N 0.96 0.78 -0.22 0.00 5.08 -0.72 -3.06 114.58 117.40 3kvy h GLU 195 Ca 0.25 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3kvy h GLU 195 Cb -0.01 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3kvy h GLU 195 CO -0.04 0.82 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.47 3kvy h LEU 196 N 0.72 0.59 0.19 1.33 3.38 -1.15 -3.48 115.31 116.88 3kvy h LEU 196 Ca 0.13 -0.49 -0.34 0.00 0.09 0.00 0.00 57.88 57.27 3kvy h LEU 196 Cb 0.51 -0.17 0.08 0.00 0.09 0.00 0.00 40.66 41.17 3kvy h LEU 196 CO 0.03 0.95 -0.53 0.61 0.09 0.00 0.00 178.44 179.59 3kvy n GLY 197 N 0.21 -0.32 0.01 0.83 0.00 -0.85 -4.93 105.19 100.15 3kvy n GLY 197 Ca -0.05 0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.03 3kvy n GLY 197 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kvy n GLU 198 N -3.78 0.70 -3.48 1.61 1.02 -1.26 -5.06 120.64 110.38 3kvy n GLU 198 Ca -0.06 -0.09 -0.11 0.00 -0.02 0.00 0.00 57.16 56.88 3kvy n GLU 198 Cb 0.58 -1.27 -0.03 0.00 -0.02 0.00 0.00 31.44 30.71 3kvy n GLU 198 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3kvy s PHE 199 N -2.69 -0.46 0.26 -0.32 -0.71 -1.26 -5.15 117.98 107.65 3kvy s PHE 199 Ca -0.04 0.41 -0.30 0.00 -1.04 0.00 0.00 56.93 55.96 3kvy s PHE 199 Cb 0.06 0.52 -0.10 0.00 -1.21 0.00 0.00 43.02 42.30 3kvy s PHE 199 CO 0.46 -0.65 1.35 -2.14 -1.34 0.00 0.00 175.22 172.90 3kvy s PRO 200 N -2.92 4.34 -0.05 1.99 0.02 -1.26 -4.92 135.00 132.20 3kvy s PRO 200 Ca 0.01 2.19 -0.02 0.00 0.02 0.00 0.00 61.00 63.20 3kvy s PRO 200 Cb -0.01 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 31.42 3kvy s PRO 200 CO -0.07 -0.28 0.09 0.99 -0.33 0.00 0.00 177.00 177.40 3kvy s THR 201 N -0.36 -0.11 0.26 0.99 2.01 -1.26 -1.08 115.64 116.08 3kvy s THR 201 Ca 0.55 0.31 0.11 0.00 0.31 0.00 0.00 61.69 62.97 3kvy s THR 201 Cb -0.39 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 3kvy s THR 201 CO 0.45 0.13 -0.20 0.68 -0.69 0.00 0.00 174.62 174.98 3kvy s VAL 202 N 1.69 2.39 -0.16 3.82 -7.23 -0.38 -4.98 120.40 115.55 3kvy s VAL 202 Ca -0.02 -2.32 -0.07 0.00 -1.81 0.00 0.00 61.98 57.75 3kvy s VAL 202 Cb -0.12 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 3kvy s VAL 202 CO -0.04 -0.37 0.09 0.68 -0.31 0.00 0.00 175.10 175.15 3kvy s VAL 203 N -2.40 5.07 0.37 1.32 -7.23 -1.26 -0.48 120.40 115.79 3kvy s VAL 203 Ca 0.28 0.06 -0.15 0.00 -1.81 0.00 0.00 61.98 60.35 3kvy s VAL 203 Cb -0.05 -3.26 0.05 0.00 0.56 0.00 0.00 36.38 33.67 3kvy s VAL 203 CO 0.13 0.51 0.75 -0.83 -0.31 0.00 0.00 175.10 175.36 3kvy s GLY 204 N -0.11 0.39 0.47 2.32 0.00 -1.07 -4.94 107.32 104.37 3kvy s GLY 204 Ca 0.08 -0.74 -0.12 0.00 0.00 0.00 0.00 44.72 43.94 3kvy s GLY 204 CO 0.01 -0.33 0.86 -1.31 0.00 0.00 0.00 173.10 172.33 3kvy s ASN 205 N -3.06 6.48 -0.12 1.64 0.01 -0.80 -1.08 114.94 118.01 3kvy s ASN 205 Ca 0.16 1.26 0.01 0.00 -0.71 0.00 0.00 52.86 53.58 3kvy s ASN 205 Cb -0.05 -2.38 0.02 0.00 0.41 0.00 0.00 41.25 39.25 3kvy s ASN 205 CO 0.11 -0.53 -0.15 -0.89 -1.51 0.00 0.00 177.10 174.13 3kvy s THR 206 N -2.59 1.55 -0.09 1.60 2.01 -0.70 -1.16 115.64 116.27 3kvy s THR 206 Ca 0.53 -0.66 -0.19 0.00 0.31 0.00 0.00 61.69 61.68 3kvy s THR 206 Cb -0.10 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3kvy s THR 206 CO 0.36 0.45 0.53 -0.32 -0.69 0.00 0.00 174.62 174.95 3kvy s MET 207 N 1.11 4.34 -0.12 4.92 1.75 -0.49 -0.42 119.30 130.38 3kvy s MET 207 Ca -0.04 0.56 -0.00 0.00 -1.25 0.00 0.00 55.69 54.96 3kvy s MET 207 Cb -0.14 -3.42 -0.02 0.00 2.84 0.00 0.00 34.83 34.09 3kvy s MET 207 CO -0.04 0.18 -0.12 0.00 -0.65 0.00 0.00 175.02 174.39 3kvy s THR 209 N 0.22 1.37 -1.80 0.00 -4.23 -0.35 -4.14 115.64 106.71 3kvy s THR 209 Ca -0.08 -2.11 0.26 0.00 -1.18 0.00 0.00 61.69 58.57 3kvy s THR 209 Cb -0.15 -1.99 0.21 0.00 1.34 0.00 0.00 72.50 71.90 3kvy s THR 209 CO 0.05 -0.63 1.46 0.18 -0.54 0.00 0.00 174.62 175.14 3kvy n LEU 210 N -0.30 1.22 -3.79 4.79 4.77 -1.26 -4.51 117.00 117.92 3kvy n LEU 210 Ca -0.09 -0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 55.40 3kvy n LEU 210 Cb 0.61 -0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 3kvy n LEU 210 CO 0.34 0.23 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.76 3kvy s ASP 211 N -2.51 -0.10 0.24 -1.43 2.15 -1.26 -5.02 116.67 108.74 3kvy s ASP 211 Ca 0.23 0.24 0.12 0.00 0.43 0.00 0.00 52.55 53.57 3kvy s ASP 211 Cb 0.19 0.18 0.08 0.00 -0.30 0.00 0.00 42.92 43.07 3kvy s ASP 211 CO 0.54 -0.09 1.44 0.15 -0.17 0.00 0.00 175.17 177.04 3kvy h PHE 212 N 6.59 0.00 0.00 -5.34 3.04 -1.90 -3.08 116.94 116.25 3kvy h PHE 212 Ca -0.34 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.61 3kvy h PHE 212 Cb 1.17 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.68 3kvy h PHE 212 CO 0.42 0.67 0.00 0.66 -2.02 0.00 0.00 178.31 178.04 3kvy n TYR 213 N -3.36 0.00 -0.08 0.41 4.01 -1.26 -4.10 117.16 112.78 3kvy n TYR 213 Ca 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.74 3kvy n TYR 213 Cb 0.77 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 40.05 3kvy n TYR 213 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3kvy h GLU 214 N 0.00 0.70 0.00 -0.72 5.08 -1.83 0.99 114.58 118.80 3kvy h GLU 214 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3kvy h GLU 214 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3kvy h GLU 214 CO 0.00 0.63 0.00 0.78 -1.00 0.00 0.00 179.01 179.42 3kvy h GLY 215 N 0.88 0.00 -0.07 -3.84 0.00 -1.84 -2.66 103.07 95.54 3kvy h GLY 215 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3kvy h GLY 215 CO -0.01 0.00 -0.04 -1.06 0.00 0.00 0.00 176.54 175.44 3kvy n GLN 216 N -2.38 1.74 -1.08 4.80 6.02 -0.93 -4.76 117.38 120.79 3kvy n GLN 216 Ca -0.01 -1.98 -0.03 0.00 -0.01 0.00 0.00 57.00 54.98 3kvy n GLN 216 Cb 0.10 -1.20 -0.01 0.00 1.02 0.00 0.00 30.24 30.15 3kvy n GLN 216 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvy n GLY 217 N -0.93 0.60 3.77 1.08 0.00 -1.00 -5.00 105.19 103.71 3kvy n GLY 217 Ca 0.08 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 3kvy n GLY 217 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kvy s ARG 218 N -1.70 3.26 0.00 1.61 0.52 0.30 -4.78 118.95 118.16 3kvy s ARG 218 Ca 0.00 1.57 0.21 0.00 -0.52 0.00 0.00 55.73 56.99 3kvy s ARG 218 Cb 0.00 -2.00 0.18 0.00 0.52 0.00 0.00 34.95 33.65 3kvy s ARG 218 CO 0.00 -0.91 1.18 1.28 0.02 0.00 0.00 175.30 176.86 3kvy n LEU 219 N -1.50 2.78 -1.23 2.53 4.77 -1.26 -4.56 117.00 118.53 3kvy n LEU 219 Ca 0.11 -1.03 -0.02 0.00 -0.03 0.00 0.00 56.01 55.05 3kvy n LEU 219 Cb 0.51 -0.01 0.22 0.00 -2.33 0.00 0.00 43.42 41.81 3kvy n LEU 219 CO 0.43 0.48 0.78 -0.90 -1.33 0.00 0.00 177.39 176.85 3kvy n ASP 220 N 1.19 3.20 -4.37 -1.43 5.75 -1.26 -4.97 116.55 114.66 3kvy n ASP 220 Ca 0.13 -3.48 -0.27 0.00 -0.01 0.00 0.00 54.79 51.16 3kvy n ASP 220 Cb 0.53 -0.63 0.15 0.00 -1.03 0.00 0.00 41.12 40.14 3kvy n ASP 220 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3kvy s GLY 221 N -2.14 1.77 0.51 6.12 0.00 -1.26 -4.97 107.32 107.36 3kvy s GLY 221 Ca 0.46 -1.52 0.30 0.00 0.00 0.00 0.00 44.72 43.95 3kvy s GLY 221 CO 0.05 -0.83 1.85 0.00 0.00 0.00 0.00 173.10 174.17 3kvy h ALA 222 N -1.11 1.00 -4.11 3.20 0.00 -1.99 -3.43 119.26 112.81 3kvy h ALA 222 Ca -0.40 -0.01 -0.45 0.00 0.00 0.00 0.00 54.91 54.05 3kvy h ALA 222 Cb 1.25 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.75 3kvy h ALA 222 CO 0.37 0.02 -0.80 -0.51 0.00 0.00 0.00 179.25 178.34 3kvy s LEU 223 N -6.22 2.03 -0.30 0.00 1.43 -1.26 -5.13 118.68 109.23 3kvy s LEU 223 Ca 0.03 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 3kvy s LEU 223 Cb 0.08 -0.62 0.17 0.00 0.03 0.00 0.00 46.19 45.84 3kvy s LEU 223 CO 0.59 0.14 0.95 0.00 0.23 0.00 0.00 176.35 178.26 3kvy n SER 225 N 5.10 2.57 -3.91 0.00 3.41 -1.26 -5.03 113.62 114.50 3kvy n SER 225 Ca -0.09 -3.62 -0.19 0.00 -0.26 0.00 0.00 58.87 54.71 3kvy n SER 225 Cb 0.52 -0.59 -0.09 0.00 -0.26 0.00 0.00 64.21 63.79 3kvy n SER 225 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3kvy s TYR 226 N -3.15 1.62 0.36 7.33 1.13 -1.26 -5.17 117.35 118.21 3kvy s TYR 226 Ca 0.42 -1.41 0.08 0.00 -1.41 0.00 0.00 57.07 54.75 3kvy s TYR 226 Cb 0.38 -0.85 -0.03 0.00 -1.10 0.00 0.00 41.96 40.36 3kvy s TYR 226 CO 0.00 -0.56 0.24 0.95 -2.51 0.00 0.00 175.55 173.67 3kvy s THR 227 N -3.57 3.00 0.28 -3.49 -4.23 -1.26 -5.00 115.64 101.37 3kvy s THR 227 Ca 0.36 -1.53 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 3kvy s THR 227 Cb 0.04 -3.04 0.27 0.00 1.34 0.00 0.00 72.50 71.12 3kvy s THR 227 CO 0.19 -0.12 1.74 -0.08 -0.54 0.00 0.00 174.62 175.81 3kvy h GLU 228 N 1.34 0.55 -0.86 3.99 4.57 -1.99 -1.07 114.58 121.11 3kvy h GLU 228 Ca -0.43 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 57.68 3kvy h GLU 228 Cb 1.26 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.68 3kvy h GLU 228 CO 0.61 0.36 0.41 -0.22 -1.18 0.00 0.00 179.01 179.00 3kvy h LYS 229 N 0.57 1.23 -0.46 1.92 3.64 -1.99 -1.43 116.57 120.04 3kvy h LYS 229 Ca 0.53 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.66 3kvy h LYS 229 Cb 0.88 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3kvy h LYS 229 CO -0.43 0.94 0.01 -0.44 -2.27 0.00 0.00 179.45 177.26 3kvy h ASP 230 N 1.22 0.80 -0.10 4.20 3.32 -1.62 -2.20 116.42 122.03 3kvy h ASP 230 Ca 0.29 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3kvy h ASP 230 Cb 0.12 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3kvy h ASP 230 CO -0.04 0.90 0.03 0.50 -1.72 0.00 0.00 179.24 178.92 3kvy h LYS 231 N 0.67 0.08 -0.82 3.56 3.64 -1.07 -1.77 116.57 120.86 3kvy h LYS 231 Ca 0.13 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3kvy h LYS 231 Cb 0.49 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3kvy h LYS 231 CO 0.02 0.05 0.50 1.96 -2.27 0.00 0.00 179.45 179.71 3kvy h GLN 232 N 0.08 1.12 -0.53 1.90 1.08 -1.20 -0.30 115.11 117.26 3kvy h GLN 232 Ca 0.04 -0.10 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 3kvy h GLN 232 Cb 0.02 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 3kvy h GLN 232 CO -0.05 0.78 0.08 0.22 -0.95 0.00 0.00 178.83 178.92 3kvy h ASP 233 N 1.13 0.85 -0.16 1.46 3.58 -1.24 -0.24 116.42 121.80 3kvy h ASP 233 Ca 0.29 -0.26 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 3kvy h ASP 233 Cb -0.05 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.77 3kvy h ASP 233 CO -0.06 0.90 -0.05 0.22 -2.88 0.00 0.00 179.24 177.37 3kvy h TYR 234 N 0.77 0.37 -0.77 0.28 3.20 -0.93 -1.86 116.97 118.02 3kvy h TYR 234 Ca 0.16 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3kvy h TYR 234 Cb 0.41 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 3kvy h TYR 234 CO 0.03 0.61 0.38 -0.07 -1.64 0.00 0.00 178.16 177.47 3kvy h LEU 235 N 0.01 0.99 -0.58 2.82 3.38 -1.01 -0.70 115.31 120.22 3kvy h LEU 235 Ca 0.04 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 3kvy h LEU 235 Cb 0.50 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kvy h LEU 235 CO 0.02 0.84 -0.54 0.03 0.09 0.00 0.00 178.44 178.87 3kvy h ARG 236 N 1.07 0.47 -0.67 1.13 3.08 -1.06 -1.13 114.38 117.27 3kvy h ARG 236 Ca 0.26 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3kvy h ARG 236 Cb 0.10 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3kvy h ARG 236 CO -0.04 0.89 0.44 0.00 -1.07 0.00 0.00 179.97 180.20 3kvy h ALA 237 N 1.05 0.85 -0.65 0.04 0.00 -1.10 -1.08 119.26 118.38 3kvy h ALA 237 Ca 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kvy h ALA 237 Cb 1.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3kvy h ALA 237 CO 0.10 0.27 0.42 0.00 0.00 0.00 0.00 179.25 180.04 3kvy h ALA 238 N 1.25 0.83 -0.78 0.00 0.00 -0.76 -2.18 119.26 117.61 3kvy h ALA 238 Ca 0.25 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3kvy h ALA 238 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 3kvy h ALA 238 CO -0.06 0.23 0.37 -0.92 0.00 0.00 0.00 179.25 178.87 3kvy h TYR 239 N 0.85 1.12 0.00 0.00 3.20 -0.87 -1.44 116.97 119.84 3kvy h TYR 239 Ca 0.24 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 3kvy h TYR 239 Cb -0.07 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 37.84 3kvy h TYR 239 CO -0.03 0.81 -0.28 0.00 -1.64 0.00 0.00 178.16 177.02 3kvy h ALA 240 N 1.30 1.48 -0.06 1.82 0.00 -0.79 -0.84 119.26 122.17 3kvy h ALA 240 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kvy h ALA 240 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kvy h ALA 240 CO -0.03 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3kvy n ALA 241 N -2.46 2.57 -0.18 0.00 0.00 -0.83 -4.88 120.51 114.73 3kvy n ALA 241 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3kvy n ALA 241 Cb 0.33 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3kvy n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvy n GLY 242 N 0.87 0.87 3.72 0.00 0.00 -0.32 -4.99 105.19 105.35 3kvy n GLY 242 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3kvy n GLY 242 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvy s ILE 243 N -2.04 4.87 -0.05 -0.61 1.01 -0.60 -1.91 121.20 121.87 3kvy s ILE 243 Ca 0.00 1.80 0.05 0.00 0.00 0.00 0.00 60.65 62.50 3kvy s ILE 243 Cb 0.00 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.19 3kvy s ILE 243 CO 0.00 0.23 0.13 0.54 0.00 0.00 0.00 174.94 175.84 3kvy n ARG 244 N 3.59 1.05 -4.01 2.79 5.12 -0.31 -4.07 116.66 120.83 3kvy n ARG 244 Ca 0.02 -0.04 -0.10 0.00 -1.93 0.00 0.00 57.85 55.80 3kvy n ARG 244 Cb 0.51 -1.06 -0.05 0.00 -1.16 0.00 0.00 32.46 30.70 3kvy n ARG 244 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kvy s ASN 245 N -2.40 0.07 -0.03 0.55 4.22 -1.21 -0.86 114.94 115.28 3kvy s ASN 245 Ca -0.01 -1.04 -0.01 0.00 -2.14 0.00 0.00 52.86 49.66 3kvy s ASN 245 Cb 0.03 0.60 0.03 0.00 1.28 0.00 0.00 41.25 43.20 3kvy s ASN 245 CO 0.21 -1.18 0.04 -0.63 -2.04 0.00 0.00 177.10 173.51 3kvy s ILE 246 N -3.80 -0.05 0.00 0.54 1.01 0.51 -1.40 121.20 118.02 3kvy s ILE 246 Ca 0.24 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.21 3kvy s ILE 246 Cb -0.01 -0.15 0.00 0.00 0.01 0.00 0.00 42.46 42.31 3kvy s ILE 246 CO 0.11 0.15 0.00 -1.84 0.00 0.00 0.00 174.94 173.36 3kvy n GLU 247 N 4.82 0.00 -0.22 2.79 -0.00 -0.32 -1.24 120.64 126.48 3kvy n GLU 247 Ca -0.14 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.03 3kvy n GLU 247 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.95 3kvy n GLU 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3kvy n MET 248 N 0.00 0.31 0.00 3.44 2.81 -1.26 -1.21 117.12 121.21 3kvy n MET 248 Ca 0.00 -0.94 0.00 0.00 -1.81 0.00 0.00 57.70 54.95 3kvy n MET 248 Cb 0.00 -0.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.90 3kvy n MET 248 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3kvy n GLU 249 N -0.14 3.83 -0.31 0.03 4.71 -1.26 -2.34 120.64 125.16 3kvy n GLU 249 Ca 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.27 3kvy n GLU 249 Cb 0.58 -0.66 0.33 0.00 -1.01 0.00 0.00 31.44 30.68 3kvy n GLU 249 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kvy h ALA 250 N 0.00 1.73 0.42 0.62 0.00 -1.94 -2.85 119.26 117.24 3kvy h ALA 250 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kvy h ALA 250 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kvy h ALA 250 CO 0.00 0.02 -0.20 0.77 0.00 0.00 0.00 179.25 179.83 3kvy h SER 251 N 0.79 -0.48 -0.68 0.00 0.02 -1.92 -1.73 113.55 109.55 3kvy h SER 251 Ca 0.48 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.31 3kvy h SER 251 Cb 0.68 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 3kvy h SER 251 CO -0.24 -0.21 0.24 -0.37 -1.14 0.00 0.00 176.83 175.11 3kvy h VAL 252 N -0.75 1.25 -0.15 2.27 -1.51 -1.92 -1.68 116.25 113.76 3kvy h VAL 252 Ca -0.06 -0.82 0.05 0.00 -1.23 0.00 0.00 66.70 64.64 3kvy h VAL 252 Cb 0.53 0.50 -0.06 0.00 -2.13 0.00 0.00 31.29 30.13 3kvy h VAL 252 CO 0.10 0.32 -0.22 0.15 -1.23 0.00 0.00 177.57 176.68 3kvy h PHE 253 N 0.98 -0.59 -0.30 5.19 3.57 -1.50 0.45 116.94 124.74 3kvy h PHE 253 Ca 0.22 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3kvy h PHE 253 Cb 0.25 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3kvy h PHE 253 CO 0.02 -0.30 0.16 0.00 -2.23 0.00 0.00 178.31 175.96 3kvy h ALA 254 N 0.72 0.38 -0.46 2.41 0.00 -1.19 -1.88 119.26 119.24 3kvy h ALA 254 Ca 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kvy h ALA 254 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3kvy h ALA 254 CO -0.31 -0.09 0.18 0.00 0.00 0.00 0.00 179.25 179.03 3kvy h ALA 255 N 1.04 0.60 -0.20 0.00 0.00 -0.87 -0.46 119.26 119.37 3kvy h ALA 255 Ca 0.11 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3kvy h ALA 255 Cb 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kvy h ALA 255 CO -0.02 0.22 -0.60 0.52 0.00 0.00 0.00 179.25 179.37 3kvy h MET 256 N 0.60 0.66 -0.38 0.00 2.86 -0.89 -0.91 114.93 116.86 3kvy h MET 256 Ca 0.15 -0.44 -0.05 0.00 -2.06 0.00 0.00 59.70 57.30 3kvy h MET 256 Cb 0.21 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3kvy h MET 256 CO -0.01 1.06 0.04 0.00 1.06 0.00 0.00 176.91 179.06 3kvy h ASN 258 N 0.49 0.16 -0.94 0.00 2.35 -1.03 0.01 115.58 116.62 3kvy h ASN 258 Ca 0.11 0.04 0.10 0.00 -0.55 0.00 0.00 56.30 56.01 3kvy h ASN 258 Cb 0.41 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.73 3kvy h ASN 258 CO 0.01 0.13 0.60 0.00 -1.65 0.00 0.00 177.43 176.52 3kvy h ALA 259 N 1.26 1.57 -0.49 -0.83 0.00 -1.00 -2.30 119.26 117.47 3kvy h ALA 259 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kvy h ALA 259 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kvy h ALA 259 CO -0.19 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3kvy n GLY 261 N 1.48 -0.09 3.75 0.00 0.00 -0.67 -4.52 105.19 105.14 3kvy n GLY 261 Ca 0.20 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 3kvy n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvy s LEU 262 N -3.28 4.26 0.03 0.99 1.43 -0.10 -5.02 118.68 116.99 3kvy s LEU 262 Ca 0.01 0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 53.25 3kvy s LEU 262 Cb -0.00 -2.27 -0.07 0.00 0.03 0.00 0.00 46.19 43.88 3kvy s LEU 262 CO 0.01 0.17 1.58 -0.13 0.23 0.00 0.00 176.35 178.20 3kvy s ARG 263 N 0.20 4.22 0.05 1.70 1.81 -1.26 -4.45 118.95 121.23 3kvy s ARG 263 Ca 0.14 2.20 -0.04 0.00 -1.72 0.00 0.00 55.73 56.31 3kvy s ARG 263 Cb -0.12 -3.66 -0.02 0.00 -0.45 0.00 0.00 34.95 30.69 3kvy s ARG 263 CO 0.03 -0.71 0.05 0.00 -0.68 0.00 0.00 175.30 173.98 3kvy s ALA 264 N 2.83 0.18 0.06 2.13 0.00 -1.26 -1.67 121.76 124.04 3kvy s ALA 264 Ca 0.71 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 51.68 3kvy s ALA 264 Cb -0.36 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3kvy s ALA 264 CO 0.30 -0.37 0.26 0.00 0.00 0.00 0.00 175.76 175.95 3kvy s ALA 265 N -3.36 -0.52 -0.12 0.00 0.00 -0.40 -4.02 121.76 113.33 3kvy s ALA 265 Ca 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.76 3kvy s ALA 265 Cb 0.03 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.56 3kvy s ALA 265 CO -0.08 -0.45 -0.13 0.08 0.00 0.00 0.00 175.76 175.18 3kvy s VAL 266 N -2.99 1.42 -0.20 0.00 1.01 -1.26 -0.76 120.40 117.61 3kvy s VAL 266 Ca -0.02 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 3kvy s VAL 266 Cb 0.01 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 35.10 3kvy s VAL 266 CO -0.06 0.43 -0.03 -0.69 0.00 0.00 0.00 175.10 174.75 3kvy s VAL 267 N 1.33 1.16 -0.02 2.92 1.01 -0.06 -1.39 120.40 125.36 3kvy s VAL 267 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3kvy s VAL 267 Cb -0.14 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3kvy s VAL 267 CO -0.07 -0.05 -0.14 0.00 0.00 0.00 0.00 175.10 174.85 3kvy s VAL 269 N -0.20 4.51 -0.04 0.00 0.11 -0.80 -0.56 120.40 123.42 3kvy s VAL 269 Ca 0.03 1.34 -0.20 0.00 -2.93 0.00 0.00 61.98 60.22 3kvy s VAL 269 Cb -0.07 -3.84 -0.05 0.00 -1.53 0.00 0.00 36.38 30.90 3kvy s VAL 269 CO -0.00 0.11 0.57 0.42 -3.33 0.00 0.00 175.10 172.86 3kvy s THR 270 N -1.64 5.00 -0.44 5.04 -4.23 0.26 -1.02 115.64 118.60 3kvy s THR 270 Ca 0.47 1.17 0.23 0.00 -1.18 0.00 0.00 61.69 62.38 3kvy s THR 270 Cb -0.16 -3.90 -0.12 0.00 1.34 0.00 0.00 72.50 69.66 3kvy s THR 270 CO 0.20 0.39 0.95 0.18 -0.54 0.00 0.00 174.62 175.81 3kvy n LEU 271 N 2.99 0.58 -3.61 4.79 4.77 -0.21 -0.55 117.00 125.75 3kvy n LEU 271 Ca -0.07 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 3kvy n LEU 271 Cb 0.51 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3kvy n LEU 271 CO 0.43 -0.01 0.48 -1.48 -1.33 0.00 0.00 177.39 175.48 3kvy s LEU 272 N -4.33 -0.41 -0.38 2.23 2.34 -1.26 -4.75 118.68 112.12 3kvy s LEU 272 Ca 0.01 -0.25 -0.15 0.00 0.06 0.00 0.00 54.13 53.79 3kvy s LEU 272 Cb 0.13 2.55 0.00 0.00 -0.56 0.00 0.00 46.19 48.32 3kvy s LEU 272 CO 0.81 -1.07 0.35 0.21 -1.06 0.00 0.00 176.35 175.59 3kvy s ASN 273 N -2.80 6.15 0.37 1.48 2.47 -1.26 -1.20 114.94 120.14 3kvy s ASN 273 Ca 0.06 -0.55 0.27 0.00 0.42 0.00 0.00 52.86 53.06 3kvy s ASN 273 Cb -0.03 -2.18 1.15 0.00 -1.45 0.00 0.00 41.25 38.74 3kvy s ASN 273 CO -0.04 -0.41 1.82 0.03 -3.72 0.00 0.00 177.10 174.77 3kvy h ARG 274 N 8.58 0.00 0.00 0.43 2.47 -1.19 -0.96 114.38 123.71 3kvy h ARG 274 Ca -0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 3kvy h ARG 274 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 3kvy h ARG 274 CO 0.72 0.00 0.00 -0.07 0.56 0.00 0.00 179.97 181.18 3kvy h LEU 275 N 0.00 0.00 0.00 3.04 3.38 -1.94 -3.21 115.31 116.58 3kvy h LEU 275 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kvy h LEU 275 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kvy h LEU 275 CO 0.00 0.00 -1.18 -0.62 0.09 0.00 0.00 178.44 176.73 3kvy n GLU 276 N -2.32 1.39 -3.94 1.13 -0.58 -0.38 -5.07 120.64 110.87 3kvy n GLU 276 Ca 0.02 -0.07 0.04 0.00 -0.42 0.00 0.00 57.16 56.74 3kvy n GLU 276 Cb 0.27 -1.20 0.01 0.00 -0.57 0.00 0.00 31.44 29.94 3kvy n GLU 276 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3kvy s GLY 277 N -2.92 -0.26 -0.02 0.62 0.00 -1.09 -5.05 107.32 98.60 3kvy s GLY 277 Ca -0.01 0.29 0.01 0.00 0.00 0.00 0.00 44.72 45.01 3kvy s GLY 277 CO 0.50 5.48 -0.01 1.22 0.00 0.00 0.00 173.10 180.29 3kvy n ASP 278 N -0.91 4.07 -4.83 1.64 8.00 -1.26 -4.25 116.55 119.01 3kvy n ASP 278 Ca 0.03 -0.01 -0.33 0.00 0.71 0.00 0.00 54.79 55.19 3kvy n ASP 278 Cb 0.59 0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.79 3kvy n ASP 278 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3kvy s GLN 279 N -2.05 4.12 -0.71 -1.24 -1.52 -1.26 -5.01 119.66 111.98 3kvy s GLN 279 Ca -0.02 0.87 -0.14 0.00 -1.95 0.00 0.00 55.36 54.12 3kvy s GLN 279 Cb 0.01 -2.36 0.18 0.00 -0.22 0.00 0.00 33.01 30.62 3kvy s GLN 279 CO 0.06 0.10 0.65 0.42 -0.25 0.00 0.00 175.29 176.27 3kvy s ILE 280 N -2.03 5.34 -0.76 1.08 1.01 -1.26 -4.88 121.20 119.70 3kvy s ILE 280 Ca 0.57 -2.17 0.06 0.00 0.00 0.00 0.00 60.65 59.11 3kvy s ILE 280 Cb -0.10 -4.35 0.07 0.00 0.01 0.00 0.00 42.46 38.09 3kvy s ILE 280 CO 0.16 -0.96 0.77 -1.54 0.00 0.00 0.00 174.94 173.36 3kvy n SER 281 N 4.38 1.67 -4.69 3.58 3.41 -1.26 -5.01 113.62 115.70 3kvy n SER 281 Ca 0.04 -1.37 -0.39 0.00 -0.26 0.00 0.00 58.87 56.89 3kvy n SER 281 Cb 0.44 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.41 3kvy n SER 281 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3kvy n SER 282 N 0.32 1.99 -4.59 4.04 7.64 -1.26 -4.93 113.62 116.83 3kvy n SER 282 Ca 0.04 0.95 -0.38 0.00 1.01 0.00 0.00 58.87 60.49 3kvy n SER 282 Cb 0.19 -1.49 0.05 0.00 -1.01 0.00 0.00 64.21 61.94 3kvy n SER 282 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3kvy n PRO 283 N -0.79 0.87 -0.23 1.43 -0.02 -1.26 -4.76 135.00 130.25 3kvy n PRO 283 Ca 0.11 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 3kvy n PRO 283 Cb 0.44 -2.07 0.41 0.00 -0.02 0.00 0.00 33.50 32.26 3kvy n PRO 283 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kvy h HIS 284 N 0.54 0.72 -0.26 6.00 -0.00 -2.00 -1.31 115.15 118.84 3kvy h HIS 284 Ca -0.48 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 59.80 3kvy h HIS 284 Cb 1.37 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.54 3kvy h HIS 284 CO 0.37 0.29 -0.34 -0.44 -0.00 0.00 0.00 177.93 177.80 3kvy h ASP 285 N 0.62 0.58 -0.34 3.26 3.32 -1.99 -1.11 116.42 120.77 3kvy h ASP 285 Ca 0.41 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 3kvy h ASP 285 Cb 0.68 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3kvy h ASP 285 CO -0.17 0.88 -0.10 0.58 -1.72 0.00 0.00 179.24 178.71 3kvy h VAL 286 N 0.47 1.28 -0.54 -1.35 2.07 -1.60 -2.40 116.25 114.18 3kvy h VAL 286 Ca 0.05 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.29 3kvy h VAL 286 Cb 0.82 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3kvy h VAL 286 CO 0.07 0.38 -0.08 -0.07 0.02 0.00 0.00 177.57 177.89 3kvy h LEU 287 N 0.45 0.98 -0.75 2.57 3.38 -1.31 -0.27 115.31 120.36 3kvy h LEU 287 Ca 0.08 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3kvy h LEU 287 Cb 0.61 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3kvy h LEU 287 CO 0.04 1.08 0.48 0.00 0.09 0.00 0.00 178.44 180.13 3kvy h ALA 288 N 1.01 0.98 -0.21 1.53 0.00 -1.17 -1.64 119.26 119.76 3kvy h ALA 288 Ca 0.15 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 3kvy h ALA 288 Cb 0.63 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3kvy h ALA 288 CO 0.04 0.29 -0.65 1.49 0.00 0.00 0.00 179.25 180.42 3kvy h GLU 289 N 0.94 0.80 -0.88 0.00 4.22 -1.15 -3.03 114.58 115.49 3kvy h GLU 289 Ca 0.30 -0.59 0.13 0.00 0.08 0.00 0.00 59.36 59.28 3kvy h GLU 289 Cb -0.01 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.25 3kvy h GLU 289 CO -0.10 1.21 0.48 1.88 -2.18 0.00 0.00 179.01 180.30 3kvy h TYR 290 N 0.55 0.86 0.00 0.92 0.99 -0.78 -1.70 116.97 117.81 3kvy h TYR 290 Ca -0.02 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3kvy h TYR 290 Cb 1.27 -0.25 0.00 0.00 1.00 0.00 0.00 36.73 38.75 3kvy h TYR 290 CO 0.08 0.26 0.00 1.04 -0.00 0.00 0.00 178.16 179.55 3kvy n GLN 291 N -4.80 0.17 0.15 4.88 6.02 -0.64 -2.18 117.38 120.99 3kvy n GLN 291 Ca 0.17 0.33 0.12 0.00 -0.01 0.00 0.00 57.00 57.61 3kvy n GLN 291 Cb 0.40 -1.79 0.18 0.00 1.02 0.00 0.00 30.24 30.05 3kvy n GLN 291 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3kvy h GLN 292 N 0.00 0.00 -0.01 -1.09 4.20 -1.23 -3.38 115.11 113.59 3kvy h GLN 292 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kvy h GLN 292 Cb 0.44 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 3kvy h GLN 292 CO 0.00 0.00 -0.00 0.00 -0.67 0.00 0.00 178.83 178.16 3kvy h ARG 293 N 0.00 -0.00 -0.64 1.46 3.08 -1.42 -0.64 114.38 116.21 3kvy h ARG 293 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kvy h ARG 293 Cb 0.91 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 3kvy h ARG 293 CO 0.00 -0.00 0.40 -1.35 -1.07 0.00 0.00 179.97 177.95 3kvy h PRO 294 N -0.00 0.86 -0.63 0.04 0.11 -1.76 -1.06 132.00 129.56 3kvy h PRO 294 Ca 0.01 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.06 3kvy h PRO 294 Cb 0.01 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 30.90 3kvy h PRO 294 CO -0.01 0.59 0.42 1.96 -0.21 0.00 0.00 178.00 180.74 3kvy h GLN 295 N 0.88 0.83 -0.42 1.05 4.20 -1.59 -1.08 115.11 118.97 3kvy h GLN 295 Ca 0.23 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.81 3kvy h GLN 295 Cb -0.06 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 3kvy h GLN 295 CO -0.05 0.55 -0.08 0.00 -0.67 0.00 0.00 178.83 178.58 3kvy h ARG 296 N 0.85 0.79 0.13 1.46 3.08 -0.51 0.16 114.38 120.35 3kvy h ARG 296 Ca 0.23 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.99 3kvy h ARG 296 Cb -0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3kvy h ARG 296 CO -0.05 0.90 -0.15 1.25 -1.07 0.00 0.00 179.97 180.86 3kvy h LEU 297 N 0.61 -0.39 -0.87 3.04 5.85 -1.04 -1.20 115.31 121.32 3kvy h LEU 297 Ca 0.11 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 3kvy h LEU 297 Cb 0.60 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3kvy h LEU 297 CO 0.04 -0.22 -0.12 0.58 -0.34 0.00 0.00 178.44 178.38 3kvy h VAL 298 N -0.31 1.25 -0.60 1.05 2.07 -1.07 -1.82 116.25 116.82 3kvy h VAL 298 Ca 0.01 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.45 3kvy h VAL 298 Cb 0.30 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 3kvy h VAL 298 CO -0.05 0.39 0.27 1.23 0.02 0.00 0.00 177.57 179.43 3kvy h GLY 299 N 0.97 0.86 0.98 2.17 0.00 -0.50 -0.65 103.07 106.90 3kvy h GLY 299 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 3kvy h GLY 299 CO 0.04 0.05 0.24 -1.61 0.00 0.00 0.00 176.54 175.25 3kvy h GLN 300 N 0.50 0.76 -0.64 4.80 5.75 -0.62 -1.71 115.11 123.95 3kvy h GLN 300 Ca 0.29 -0.12 0.06 0.00 -0.15 0.00 0.00 58.65 58.73 3kvy h GLN 300 Cb 0.29 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.65 3kvy h GLN 300 CO -0.24 0.64 0.35 0.35 -2.65 0.00 0.00 178.83 177.28 3kvy h PHE 301 N 0.70 0.64 -0.29 3.99 3.04 -0.83 -1.56 116.94 122.63 3kvy h PHE 301 Ca 0.18 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 62.01 3kvy h PHE 301 Cb 0.15 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.46 3kvy h PHE 301 CO -0.00 0.31 -0.38 0.82 -2.02 0.00 0.00 178.31 177.03 3kvy h ILE 302 N 0.65 1.29 -0.72 1.41 2.04 -0.92 -1.81 117.51 119.45 3kvy h ILE 302 Ca 0.29 -1.57 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 3kvy h ILE 302 Cb 0.18 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3kvy h ILE 302 CO -0.18 0.51 0.45 0.50 0.00 0.00 0.00 178.15 179.42 3kvy h LYS 303 N 0.53 0.97 0.02 2.37 3.64 -1.15 -1.79 116.57 121.17 3kvy h LYS 303 Ca 0.04 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3kvy h LYS 303 Cb 0.97 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3kvy h LYS 303 CO 0.09 0.68 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.72 3kvy h LYS 304 N 0.98 -0.02 -0.39 1.90 3.64 -1.17 -2.43 116.57 119.08 3kvy h LYS 304 Ca 0.26 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 3kvy h LYS 304 Cb -0.05 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3kvy h LYS 304 CO -0.05 -0.01 0.26 0.00 -2.27 0.00 0.00 179.45 177.38 3kvy h ARG 305 N -0.03 0.45 0.00 1.90 2.47 -1.00 -2.34 114.38 115.83 3kvy h ARG 305 Ca -0.00 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3kvy h ARG 305 Cb 0.03 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 3kvy h ARG 305 CO 0.00 0.30 -0.17 -0.07 0.56 0.00 0.00 179.97 180.59 3kvy h LEU 306 N 0.46 0.00 -5.37 3.04 3.38 -1.03 -3.29 115.31 112.50 3kvy h LEU 306 Ca 0.15 -0.03 -0.71 0.00 0.09 0.00 0.00 57.88 57.38 3kvy h LEU 306 Cb 0.05 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.59 3kvy h LEU 306 CO -0.04 0.01 1.19 0.23 0.09 0.00 0.00 178.44 179.92 3kvy n MET 307 N -2.58 3.80 0.00 1.13 2.81 -0.88 -5.10 117.12 116.30 3kvy n MET 307 Ca 0.04 -3.55 0.00 0.00 -1.81 0.00 0.00 57.70 52.38 3kvy n MET 307 Cb 0.48 -2.37 0.00 0.00 -0.71 0.00 0.00 33.22 30.62 3kvy n MET 307 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52