#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvr s ASN 15 N 0.00 6.35 0.48 0.26 2.20 -1.26 -4.97 114.94 118.00 3kvr s ASN 15 Ca 0.00 0.16 -0.22 0.00 -0.94 0.00 0.00 52.86 51.86 3kvr s ASN 15 Cb 0.00 -2.27 -0.07 0.00 -2.00 0.00 0.00 41.25 36.91 3kvr s ASN 15 CO 0.00 -0.41 1.13 -1.81 -2.94 0.00 0.00 177.10 173.07 3kvr s ASP 16 N 1.70 6.09 0.35 3.54 1.11 -1.26 -4.27 116.67 123.93 3kvr s ASP 16 Ca 0.19 2.21 -0.27 0.00 0.18 0.00 0.00 52.55 54.86 3kvr s ASP 16 Cb -0.15 -2.59 -0.09 0.00 1.07 0.00 0.00 42.92 41.15 3kvr s ASP 16 CO 0.12 -0.96 1.15 -0.76 1.18 0.00 0.00 175.17 175.90 3kvr s LEU 17 N -3.28 4.35 0.09 1.23 1.43 -1.26 -1.96 118.68 119.28 3kvr s LEU 17 Ca 0.66 2.33 -0.31 0.00 -1.03 0.00 0.00 54.13 55.79 3kvr s LEU 17 Cb -0.25 -3.85 -0.10 0.00 0.03 0.00 0.00 46.19 42.02 3kvr s LEU 17 CO 0.30 -0.44 1.84 -0.69 0.23 0.00 0.00 176.35 177.59 3kvr s VAL 18 N -1.31 2.74 0.19 -1.59 1.01 -0.63 -4.98 120.40 115.83 3kvr s VAL 18 Ca 0.51 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.67 3kvr s VAL 18 Cb -0.31 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3kvr s VAL 18 CO 0.40 -0.00 0.02 -1.10 0.00 0.00 0.00 175.10 174.42 3kvr s GLN 19 N 3.23 2.46 0.39 2.72 -1.52 -1.26 -4.68 119.66 120.99 3kvr s GLN 19 Ca 0.82 -1.13 0.08 0.00 -1.95 0.00 0.00 55.36 53.18 3kvr s GLN 19 Cb -0.44 -2.36 -0.02 0.00 -0.22 0.00 0.00 33.01 29.97 3kvr s GLN 19 CO 0.37 0.44 0.37 -0.51 -0.25 0.00 0.00 175.29 175.71 3kvr s LEU 20 N -3.11 3.50 -0.54 2.90 1.43 -1.26 -4.93 118.68 116.65 3kvr s LEU 20 Ca 0.29 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 3kvr s LEU 20 Cb -0.09 -2.18 0.40 0.00 0.03 0.00 0.00 46.19 44.35 3kvr s LEU 20 CO 0.19 -0.57 1.36 0.00 0.23 0.00 0.00 176.35 177.57 3kvr s ASN 22 N -2.88 1.73 0.55 0.00 2.47 -1.26 -5.01 114.94 110.54 3kvr s ASN 22 Ca 0.49 -0.57 0.35 0.00 0.42 0.00 0.00 52.86 53.55 3kvr s ASN 22 Cb 0.41 0.38 1.65 0.00 -1.45 0.00 0.00 41.25 42.23 3kvr s ASN 22 CO -0.24 -0.37 2.06 1.55 -3.72 0.00 0.00 177.10 176.38 3kvr h PRO 23 N 8.30 0.00 0.00 0.43 0.13 -2.05 -3.07 132.00 135.74 3kvr h PRO 23 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3kvr h PRO 23 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3kvr h PRO 23 CO 0.32 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.54 3kvr h HIS 24 N 0.00 0.00 0.10 1.56 3.86 -2.00 -3.29 115.15 115.37 3kvr h HIS 24 Ca 0.00 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.92 3kvr h HIS 24 Cb 0.32 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.81 3kvr h HIS 24 CO 0.00 0.00 -1.19 0.82 0.86 0.00 0.00 177.93 178.42 3kvr h ILE 25 N 0.00 1.29 -1.00 2.45 5.03 -1.96 -3.13 117.51 120.18 3kvr h ILE 25 Ca 0.00 -2.41 0.28 0.00 -0.12 0.00 0.00 64.86 62.61 3kvr h ILE 25 Cb 0.34 2.64 -0.14 0.00 -3.03 0.00 0.00 36.82 36.63 3kvr h ILE 25 CO 0.00 0.73 0.57 0.00 -0.68 0.00 0.00 178.15 178.78 3kvr h ALA 26 N 0.30 1.85 -0.07 1.87 0.00 -1.81 -2.37 119.26 119.03 3kvr h ALA 26 Ca -0.18 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kvr h ALA 26 Cb 1.86 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.73 3kvr h ALA 26 CO 0.23 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.07 3kvr n ALA 27 N -2.31 2.57 -2.63 0.00 0.00 -1.18 -4.91 120.51 112.05 3kvr n ALA 27 Ca 0.29 -0.29 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3kvr n ALA 27 Cb 0.85 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 3kvr n ALA 27 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kvr s MET 28 N -1.91 3.75 0.48 0.00 -1.94 -0.89 -4.97 119.30 113.83 3kvr s MET 28 Ca 0.29 0.22 0.16 0.00 -1.71 0.00 0.00 55.69 54.64 3kvr s MET 28 Cb 0.14 -3.19 1.14 0.00 2.01 0.00 0.00 34.83 34.93 3kvr s MET 28 CO 0.23 0.71 2.06 1.57 -0.01 0.00 0.00 175.02 179.58 3kvr h LYS 29 N 4.68 0.00 -2.78 2.03 5.09 -1.90 -3.43 116.57 120.26 3kvr h LYS 29 Ca -0.52 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.09 3kvr h LYS 29 Cb 1.22 0.00 -0.25 0.00 0.10 0.00 0.00 32.23 33.30 3kvr h LYS 29 CO 0.61 0.10 -0.28 -2.00 -2.09 0.00 0.00 179.45 175.79 3kvr s GLU 30 N -4.81 0.43 -0.22 0.07 2.12 -1.26 -4.88 118.70 110.14 3kvr s GLU 30 Ca -0.04 0.59 0.02 0.00 0.36 0.00 0.00 54.97 55.89 3kvr s GLU 30 Cb 0.16 0.15 0.04 0.00 0.26 0.00 0.00 34.13 34.75 3kvr s GLU 30 CO 0.68 -0.08 -0.14 0.34 -0.54 0.00 0.00 175.26 175.52 3kvr s ASP 31 N 0.50 3.73 -0.26 -1.70 2.15 -1.26 -4.98 116.67 114.84 3kvr s ASP 31 Ca -0.02 -1.01 -0.17 0.00 0.43 0.00 0.00 52.55 51.77 3kvr s ASP 31 Cb -0.04 -1.44 -0.03 0.00 -0.30 0.00 0.00 42.92 41.11 3kvr s ASP 31 CO -0.03 -0.12 0.46 -0.63 -0.17 0.00 0.00 175.17 174.69 3kvr s ILE 32 N 1.25 5.11 -1.17 4.11 1.01 -1.26 -1.60 121.20 128.65 3kvr s ILE 32 Ca -0.02 0.77 -0.10 0.00 0.00 0.00 0.00 60.65 61.30 3kvr s ILE 32 Cb -0.17 -3.78 0.23 0.00 0.01 0.00 0.00 42.46 38.75 3kvr s ILE 32 CO -0.08 0.11 1.41 0.18 0.00 0.00 0.00 174.94 176.56 3kvr n LEU 33 N 5.46 5.76 -0.27 2.97 4.77 0.13 -4.89 117.00 130.94 3kvr n LEU 33 Ca -0.06 -4.82 0.06 0.00 -0.03 0.00 0.00 56.01 51.17 3kvr n LEU 33 Cb 0.50 -1.49 0.20 0.00 -2.33 0.00 0.00 43.42 40.30 3kvr n LEU 33 CO 0.39 1.21 1.04 0.22 -1.33 0.00 0.00 177.39 178.92 3kvr h TYR 34 N 6.45 0.60 -0.00 -1.77 3.20 -1.95 0.37 116.97 123.87 3kvr h TYR 34 Ca 0.26 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3kvr h TYR 34 Cb 0.79 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.91 3kvr h TYR 34 CO 0.99 0.10 -0.10 0.72 -1.64 0.00 0.00 178.16 178.24 3kvr n HIS 35 N -4.96 0.00 0.67 -3.82 8.25 -1.26 -2.17 115.22 111.93 3kvr n HIS 35 Ca 0.15 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.72 3kvr n HIS 35 Cb 0.42 -0.37 -0.07 0.00 1.12 0.00 0.00 29.99 31.09 3kvr n HIS 35 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kvr n PHE 36 N -1.37 0.07 -3.55 4.41 0.99 -0.17 -4.24 117.46 113.59 3kvr n PHE 36 Ca 0.09 0.02 -0.22 0.00 -0.00 0.00 0.00 57.45 57.35 3kvr n PHE 36 Cb 0.31 -0.24 0.08 0.00 -1.00 0.00 0.00 39.48 38.63 3kvr n PHE 36 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3kvr n SER 37 N -1.79 -5.00 -4.31 4.37 2.88 -0.06 -4.64 113.62 105.08 3kvr n SER 37 Ca 0.02 -0.57 -0.17 0.00 -1.33 0.00 0.00 58.87 56.82 3kvr n SER 37 Cb 0.41 -5.05 -0.10 0.00 -0.75 0.00 0.00 64.21 58.72 3kvr n SER 37 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kvr s LEU 38 N -7.02 2.51 -0.09 2.46 1.02 -0.94 -4.87 118.68 111.76 3kvr s LEU 38 Ca 0.40 -1.05 -0.22 0.00 0.02 0.00 0.00 54.13 53.29 3kvr s LEU 38 Cb -0.18 -0.49 0.05 0.00 0.02 0.00 0.00 46.19 45.59 3kvr s LEU 38 CO 0.73 -0.28 0.51 -0.55 0.02 0.00 0.00 176.35 176.78 3kvr s SER 39 N -3.26 -0.47 0.32 2.29 0.15 -1.26 0.22 113.70 111.69 3kvr s SER 39 Ca 0.21 0.62 0.04 0.00 0.70 0.00 0.00 55.95 57.52 3kvr s SER 39 Cb 0.02 0.64 0.66 0.00 -1.71 0.00 0.00 66.02 65.62 3kvr s SER 39 CO 0.05 -0.42 1.89 0.71 1.20 0.00 0.00 173.24 176.66 3kvr h THR 40 N 3.70 0.95 0.00 6.45 1.35 -1.53 0.84 112.91 124.67 3kvr h THR 40 Ca -0.28 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3kvr h THR 40 Cb 1.16 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3kvr h THR 40 CO 0.32 0.16 0.00 0.77 -0.25 0.00 0.00 175.52 176.52 3kvr h SER 41 N 0.87 0.00 0.00 5.36 4.64 -1.90 -3.35 113.55 119.18 3kvr h SER 41 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3kvr h SER 41 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3kvr h SER 41 CO -0.18 0.00 -0.83 0.35 -0.87 0.00 0.00 176.83 175.30 3kvr n THR 42 N -2.47 0.00 -4.30 2.95 -2.24 -0.72 -5.04 114.28 102.46 3kvr n THR 42 Ca 0.03 -0.21 -0.20 0.00 -2.27 0.00 0.00 64.05 61.39 3kvr n THR 42 Cb 0.32 0.62 -0.13 0.00 -2.10 0.00 0.00 70.33 69.05 3kvr n THR 42 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kvr s HIS 43 N -1.97 1.33 -0.61 4.78 4.02 0.21 -4.94 115.29 118.11 3kvr s HIS 43 Ca -0.00 -0.40 -0.20 0.00 1.02 0.00 0.00 55.06 55.48 3kvr s HIS 43 Cb 0.03 -0.77 0.10 0.00 -1.02 0.00 0.00 32.58 30.92 3kvr s HIS 43 CO 0.18 0.07 0.77 0.34 1.02 0.00 0.00 174.74 177.12 3kvr s ASP 44 N -1.46 6.18 0.07 1.40 3.68 -1.26 -4.53 116.67 120.77 3kvr s ASP 44 Ca 0.01 -1.34 -0.18 0.00 2.13 0.00 0.00 52.55 53.18 3kvr s ASP 44 Cb -0.09 -2.33 -0.10 0.00 -1.45 0.00 0.00 42.92 38.95 3kvr s ASP 44 CO 0.02 -1.19 1.43 -0.26 0.13 0.00 0.00 175.17 175.29 3kvr h PHE 45 N 9.28 0.59 -0.24 -5.34 -1.00 -1.91 -1.76 116.94 116.55 3kvr h PHE 45 Ca -0.29 -0.15 0.04 0.00 2.81 0.00 0.00 57.97 60.38 3kvr h PHE 45 Cb 1.08 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 40.47 3kvr h PHE 45 CO 0.87 0.79 -0.03 -1.35 -1.61 0.00 0.00 178.31 176.98 3kvr h PRO 46 N 0.22 0.04 -0.88 1.51 0.11 -1.73 0.17 132.00 131.44 3kvr h PRO 46 Ca 0.05 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.22 3kvr h PRO 46 Cb 0.64 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.69 3kvr h PRO 46 CO 0.04 0.02 0.57 0.00 -0.21 0.00 0.00 178.00 178.43 3kvr h ALA 47 N 1.22 1.54 0.04 -0.75 0.00 -1.88 -0.15 119.26 119.29 3kvr h ALA 47 Ca 0.12 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 3kvr h ALA 47 Cb 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kvr h ALA 47 CO -0.22 0.33 -1.03 0.52 0.00 0.00 0.00 179.25 178.84 3kvr h MET 48 N 0.99 0.15 0.00 0.00 2.86 -0.34 -3.40 114.93 115.18 3kvr h MET 48 Ca 0.38 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3kvr h MET 48 Cb 0.21 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3kvr h MET 48 CO -0.14 1.05 0.00 1.19 1.06 0.00 0.00 176.91 180.07 3kvr n PHE 49 N -3.51 0.00 0.33 -0.22 3.01 0.50 -4.86 117.46 112.71 3kvr n PHE 49 Ca -0.04 0.00 0.22 0.00 1.01 0.00 0.00 57.45 58.64 3kvr n PHE 49 Cb 0.92 0.00 1.17 0.00 -0.01 0.00 0.00 39.48 41.56 3kvr n PHE 49 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3kvr h GLY 50 N 0.00 0.00 -2.67 1.37 0.00 -1.08 -0.10 103.07 100.60 3kvr h GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kvr h GLY 50 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3kvr n ASP 51 N -3.15 4.12 -4.73 0.19 3.85 -1.26 -4.58 116.55 110.99 3kvr n ASP 51 Ca -0.03 -2.15 -0.42 0.00 -0.71 0.00 0.00 54.79 51.49 3kvr n ASP 51 Cb 0.08 -0.50 -0.03 0.00 -1.35 0.00 0.00 41.12 39.33 3kvr n ASP 51 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3kvr s VAL 52 N -1.28 3.01 0.00 2.12 1.01 -0.05 -4.32 120.40 120.90 3kvr s VAL 52 Ca 0.47 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3kvr s VAL 52 Cb 0.27 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3kvr s VAL 52 CO 0.29 0.09 0.00 0.29 0.00 0.00 0.00 175.10 175.77 3kvr n LYS 53 N 3.26 1.68 -4.24 2.72 4.76 0.13 -4.55 118.16 121.92 3kvr n LYS 53 Ca 0.09 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.26 3kvr n LYS 53 Cb 0.41 -0.89 -0.17 0.00 -1.84 0.00 0.00 35.03 32.55 3kvr n LYS 53 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3kvr s PHE 54 N -1.60 1.71 -0.23 2.13 0.40 -0.40 -1.21 117.98 118.78 3kvr s PHE 54 Ca 0.00 -0.81 -0.04 0.00 -0.60 0.00 0.00 56.93 55.48 3kvr s PHE 54 Cb 0.00 -1.30 0.00 0.00 0.51 0.00 0.00 43.02 42.23 3kvr s PHE 54 CO 0.00 -0.47 -0.03 0.08 0.70 0.00 0.00 175.22 175.50 3kvr s VAL 55 N 1.22 3.34 -0.13 -0.44 1.01 0.11 -1.28 120.40 124.23 3kvr s VAL 55 Ca -0.03 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 3kvr s VAL 55 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3kvr s VAL 55 CO -0.04 0.34 0.05 0.00 0.00 0.00 0.00 175.10 175.45 3kvr s VAL 57 N -0.43 0.80 0.07 0.00 -7.23 -0.72 -1.11 120.40 111.77 3kvr s VAL 57 Ca 0.09 -0.90 -0.27 0.00 -1.81 0.00 0.00 61.98 59.10 3kvr s VAL 57 Cb -0.12 -0.76 0.09 0.00 0.56 0.00 0.00 36.38 36.15 3kvr s VAL 57 CO 0.02 -0.11 0.85 -0.83 -0.31 0.00 0.00 175.10 174.72 3kvr s GLY 58 N -1.13 -0.42 0.03 2.32 0.00 -1.09 -0.85 107.32 106.19 3kvr s GLY 58 Ca -0.02 0.68 -0.25 0.00 0.00 0.00 0.00 44.72 45.12 3kvr s GLY 58 CO 0.01 0.22 1.47 -1.33 0.00 0.00 0.00 173.10 173.46 3kvr h GLY 59 N 2.00 -0.14 -5.12 0.20 0.00 -1.79 -0.69 103.07 97.53 3kvr h GLY 59 Ca -0.24 0.05 -0.57 0.00 0.00 0.00 0.00 47.33 46.57 3kvr h GLY 59 CO 0.30 -0.05 0.31 -0.45 0.00 0.00 0.00 176.54 176.65 3kvr s SER 60 N -5.30 7.03 0.51 0.19 0.15 -1.26 -2.02 113.70 113.01 3kvr s SER 60 Ca -0.15 1.26 0.21 0.00 0.70 0.00 0.00 55.95 57.98 3kvr s SER 60 Cb 0.04 -2.46 1.34 0.00 -1.71 0.00 0.00 66.02 63.22 3kvr s SER 60 CO 0.64 -0.30 2.10 1.55 1.20 0.00 0.00 173.24 178.43 3kvr h PRO 61 N 7.09 0.00 0.02 5.44 0.13 -1.95 -2.02 132.00 140.70 3kvr h PRO 61 Ca -0.34 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.57 3kvr h PRO 61 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3kvr h PRO 61 CO 0.80 0.09 -0.95 0.66 -0.23 0.00 0.00 178.00 178.38 3kvr h SER 62 N 0.00 0.32 -0.03 1.44 4.64 -1.99 -2.24 113.55 115.69 3kvr h SER 62 Ca -0.00 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 3kvr h SER 62 Cb 0.19 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3kvr h SER 62 CO 0.01 1.10 -0.06 0.03 -0.87 0.00 0.00 176.83 177.05 3kvr h ARG 63 N 0.12 0.23 0.00 4.77 3.08 -1.93 0.16 114.38 120.80 3kvr h ARG 63 Ca -0.06 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 3kvr h ARG 63 Cb 1.60 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.61 3kvr h ARG 63 CO 0.15 0.30 -0.29 0.52 -1.07 0.00 0.00 179.97 179.58 3kvr h MET 64 N 0.22 0.00 0.15 0.04 2.86 -1.00 -0.28 114.93 116.92 3kvr h MET 64 Ca 0.05 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.38 3kvr h MET 64 Cb 0.25 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.94 3kvr h MET 64 CO 0.01 0.21 -1.29 -0.22 1.06 0.00 0.00 176.91 176.68 3kvr h LYS 65 N 0.00 0.60 -0.47 1.72 3.64 -1.24 -2.45 116.57 118.38 3kvr h LYS 65 Ca -0.01 -0.84 -0.06 0.00 -1.27 0.00 0.00 60.65 58.48 3kvr h LYS 65 Cb 1.17 0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 33.26 3kvr h LYS 65 CO 0.03 1.39 0.06 0.00 -2.27 0.00 0.00 179.45 178.65 3kvr h ALA 66 N 0.28 1.24 -0.36 5.00 0.00 -0.60 -1.37 119.26 123.44 3kvr h ALA 66 Ca -0.20 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3kvr h ALA 66 Cb 1.97 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 3kvr h ALA 66 CO 0.25 0.52 0.05 0.35 0.00 0.00 0.00 179.25 180.41 3kvr h PHE 67 N 0.70 0.64 -0.61 0.00 3.04 -1.08 0.73 116.94 120.37 3kvr h PHE 67 Ca 0.15 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 3kvr h PHE 67 Cb 0.34 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.65 3kvr h PHE 67 CO 0.02 0.66 0.28 0.97 -2.02 0.00 0.00 178.31 178.23 3kvr h ILE 68 N 0.44 1.20 -0.13 1.41 6.09 -0.92 0.17 117.51 125.77 3kvr h ILE 68 Ca 0.11 -0.57 -0.01 0.00 -1.37 0.00 0.00 64.86 63.02 3kvr h ILE 68 Cb 0.37 0.43 -0.01 0.00 0.47 0.00 0.00 36.82 38.09 3kvr h ILE 68 CO 0.01 0.24 0.06 0.11 -3.07 0.00 0.00 178.15 175.49 3kvr h LYS 69 N 0.85 0.19 -0.66 2.19 1.57 -0.41 -0.94 116.57 119.36 3kvr h LYS 69 Ca 0.21 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 3kvr h LYS 69 Cb 0.10 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3kvr h LYS 69 CO -0.03 0.27 0.42 -0.92 -0.57 0.00 0.00 179.45 178.62 3kvr h TYR 70 N 0.06 0.78 -0.47 -1.35 3.20 -0.58 -2.16 116.97 116.46 3kvr h TYR 70 Ca 0.04 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 3kvr h TYR 70 Cb 0.15 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 3kvr h TYR 70 CO -0.02 0.46 -0.04 0.28 -1.64 0.00 0.00 178.16 177.20 3kvr h VAL 71 N 0.83 1.25 -0.30 1.81 2.07 -0.50 -2.85 116.25 118.55 3kvr h VAL 71 Ca 0.26 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3kvr h VAL 71 Cb -0.02 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3kvr h VAL 71 CO -0.09 0.37 0.16 0.00 0.02 0.00 0.00 177.57 178.03 3kvr h ALA 72 N 1.22 0.38 -0.42 1.67 0.00 -0.56 -2.83 119.26 118.73 3kvr h ALA 72 Ca 0.14 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3kvr h ALA 72 Cb 0.50 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3kvr h ALA 72 CO 0.03 -0.08 0.09 0.52 0.00 0.00 0.00 179.25 179.82 3kvr h MET 73 N 0.36 0.22 0.00 0.00 2.07 -1.33 -0.25 114.93 116.00 3kvr h MET 73 Ca 0.10 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 3kvr h MET 73 Cb 0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.76 3kvr h MET 73 CO -0.02 0.15 0.00 0.93 1.07 0.00 0.00 176.91 179.04 3kvr h GLU 74 N 0.23 0.00 -0.31 1.72 4.39 -1.28 -1.67 114.58 117.66 3kvr h GLU 74 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3kvr h GLU 74 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3kvr h GLU 74 CO -0.26 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 178.87 3kvr n LEU 75 N -2.56 3.07 -1.51 1.33 4.77 -1.10 -4.95 117.00 116.06 3kvr n LEU 75 Ca 0.01 -2.20 -0.15 0.00 -0.03 0.00 0.00 56.01 53.64 3kvr n LEU 75 Cb 0.25 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3kvr n LEU 75 CO 0.22 0.71 -0.17 0.61 -1.33 0.00 0.00 177.39 177.43 3kvr n GLY 76 N 0.27 0.35 0.05 -0.72 0.00 -0.63 -4.87 105.19 99.64 3kvr n GLY 76 Ca 0.13 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 46.02 3kvr n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kvr n PHE 77 N -3.52 0.00 -0.47 1.61 3.01 -0.13 -4.97 117.46 112.98 3kvr n PHE 77 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3kvr n PHE 77 Cb 0.59 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 3kvr n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kvr n ALA 78 N -1.06 0.00 -1.31 4.37 0.00 -1.03 -4.89 120.51 116.58 3kvr n ALA 78 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3kvr n ALA 78 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3kvr n ALA 78 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3kvr n HIS 79 N -2.27 0.00 -3.43 0.00 1.44 -1.26 -5.03 115.22 104.66 3kvr n HIS 79 Ca 0.00 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.43 3kvr n HIS 79 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 3kvr n HIS 79 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3kvr s ASP 83 N 1.00 6.42 -0.35 4.39 2.15 -1.26 -5.18 116.67 123.84 3kvr s ASP 83 Ca 0.00 0.61 0.02 0.00 0.43 0.00 0.00 52.55 53.61 3kvr s ASP 83 Cb 0.00 -2.10 0.10 0.00 -0.30 0.00 0.00 42.92 40.63 3kvr s ASP 83 CO 0.00 -0.17 0.10 -0.31 -0.17 0.00 0.00 175.17 174.62 3kvr s TYR 84 N -2.05 2.67 0.38 -5.34 2.02 -1.26 -5.12 117.35 108.65 3kvr s TYR 84 Ca 0.42 -2.41 -0.26 0.00 -0.37 0.00 0.00 57.07 54.45 3kvr s TYR 84 Cb -0.11 -2.30 -0.09 0.00 -0.40 0.00 0.00 41.96 39.07 3kvr s TYR 84 CO 0.30 -0.89 1.22 -1.25 -1.57 0.00 0.00 175.55 173.36 3kvr s PRO 85 N 1.10 4.13 -0.17 -1.71 0.04 -1.26 -4.94 135.00 132.20 3kvr s PRO 85 Ca 0.11 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 3kvr s PRO 85 Cb -0.19 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 3kvr s PRO 85 CO -0.14 -0.29 1.55 1.21 0.04 0.00 0.00 177.00 179.36 3kvr s ASN 86 N -0.91 6.58 0.42 6.66 2.47 -1.26 -4.66 114.94 124.25 3kvr s ASN 86 Ca 0.55 1.79 0.28 0.00 0.42 0.00 0.00 52.86 55.90 3kvr s ASN 86 Cb -0.34 -2.53 0.94 0.00 -1.45 0.00 0.00 41.25 37.86 3kvr s ASN 86 CO 0.44 -1.06 1.80 0.40 -3.72 0.00 0.00 177.10 174.96 3kvr h ILE 87 N 5.85 0.00 -1.03 -5.21 2.04 -0.84 -2.63 117.51 115.69 3kvr h ILE 87 Ca -0.34 -0.60 -0.67 0.00 1.00 0.00 0.00 64.86 64.26 3kvr h ILE 87 Cb 1.15 1.55 -0.31 0.00 -0.74 0.00 0.00 36.82 38.47 3kvr h ILE 87 CO 0.98 0.00 0.67 0.00 0.00 0.00 0.00 178.15 179.80 3kvr h GLU 89 N 2.08 0.00 0.00 0.00 4.39 -1.78 -2.59 114.58 116.68 3kvr h GLU 89 Ca 0.58 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.28 3kvr h GLU 89 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 3kvr h GLU 89 CO 1.48 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 179.74 3kvr n GLY 90 N -1.22 -0.90 3.38 -3.84 0.00 -1.26 -4.90 105.19 96.46 3kvr n GLY 90 Ca -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3kvr n GLY 90 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kvr s THR 91 N -2.00 0.06 -0.17 2.61 -1.32 -0.98 -4.83 115.64 109.01 3kvr s THR 91 Ca 0.03 -1.11 0.17 0.00 -1.21 0.00 0.00 61.69 59.57 3kvr s THR 91 Cb 0.01 -1.66 0.37 0.00 -1.51 0.00 0.00 72.50 69.72 3kvr s THR 91 CO 0.02 -0.27 1.25 -0.90 -2.21 0.00 0.00 174.62 172.51 3kvr n ASP 92 N -0.24 2.94 0.04 8.08 3.85 -1.26 -4.74 116.55 125.22 3kvr n ASP 92 Ca -0.10 -2.99 -0.20 0.00 -0.71 0.00 0.00 54.79 50.80 3kvr n ASP 92 Cb 0.63 -0.45 -0.12 0.00 -1.35 0.00 0.00 41.12 39.83 3kvr n ASP 92 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3kvr h ARG 93 N 0.75 0.56 -3.15 0.11 -0.00 -1.92 -3.46 114.38 107.26 3kvr h ARG 93 Ca 0.00 -0.65 -0.12 0.00 -0.50 0.00 0.00 59.98 58.70 3kvr h ARG 93 Cb 1.14 0.20 -0.20 0.00 0.00 0.00 0.00 29.97 31.11 3kvr h ARG 93 CO 0.09 1.26 -0.33 0.71 0.00 0.00 0.00 179.97 181.70 3kvr s TYR 94 N -3.14 -0.13 -0.00 3.04 1.51 -1.26 -4.81 117.35 112.57 3kvr s TYR 94 Ca -0.11 0.16 0.04 0.00 -1.01 0.00 0.00 57.07 56.15 3kvr s TYR 94 Cb 0.05 0.06 -0.03 0.00 -0.11 0.00 0.00 41.96 41.93 3kvr s TYR 94 CO 0.88 -0.37 -0.10 0.00 -1.11 0.00 0.00 175.55 174.86 3kvr s ALA 95 N -1.37 2.89 -0.03 3.71 0.00 -1.26 -4.74 121.76 120.96 3kvr s ALA 95 Ca -0.14 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3kvr s ALA 95 Cb -0.06 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 22.03 3kvr s ALA 95 CO 0.03 0.59 -0.07 1.41 0.00 0.00 0.00 175.76 177.73 3kvr s MET 96 N -1.28 0.88 0.05 0.00 1.75 -1.26 -0.24 119.30 119.21 3kvr s MET 96 Ca 0.15 -0.20 0.04 0.00 -1.25 0.00 0.00 55.69 54.43 3kvr s MET 96 Cb -0.11 -0.84 -0.03 0.00 2.84 0.00 0.00 34.83 36.70 3kvr s MET 96 CO 0.06 0.02 -0.12 -0.06 -0.65 0.00 0.00 175.02 174.27 3kvr s PHE 97 N 0.52 1.02 -0.02 4.11 0.40 0.30 -0.06 117.98 124.24 3kvr s PHE 97 Ca -0.07 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 55.84 3kvr s PHE 97 Cb -0.11 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 42.83 3kvr s PHE 97 CO 0.01 0.01 -0.07 0.21 0.70 0.00 0.00 175.22 176.08 3kvr s LYS 98 N -1.50 0.71 -0.10 0.44 2.20 -1.26 -0.06 119.74 120.17 3kvr s LYS 98 Ca -0.04 -0.22 -0.04 0.00 -0.36 0.00 0.00 55.97 55.31 3kvr s LYS 98 Cb -0.09 -0.69 0.05 0.00 -1.51 0.00 0.00 37.83 35.59 3kvr s LYS 98 CO 0.01 0.08 0.21 0.54 -0.36 0.00 0.00 175.35 175.83 3kvr s VAL 99 N 0.19 -0.13 0.00 4.02 0.11 -0.38 -4.97 120.40 119.24 3kvr s VAL 99 Ca -0.02 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 3kvr s VAL 99 Cb -0.07 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 3kvr s VAL 99 CO -0.00 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 3kvr n GLY 100 N 4.54 2.89 0.78 6.54 0.00 -1.26 -1.63 105.19 117.05 3kvr n GLY 100 Ca -0.20 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.79 3kvr n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kvr n PRO 101 N 14.00 1.99 -3.98 1.61 -0.04 -1.26 -4.72 135.00 142.61 3kvr n PRO 101 Ca 0.00 -1.53 -0.35 0.00 -0.04 0.00 0.00 63.50 61.58 3kvr n PRO 101 Cb 0.00 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.00 3kvr n PRO 101 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kvr s VAL 102 N -1.50 4.83 -0.09 0.52 1.01 -0.65 0.21 120.40 124.73 3kvr s VAL 102 Ca 0.31 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.30 3kvr s VAL 102 Cb 0.16 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.37 3kvr s VAL 102 CO 0.22 0.46 -0.20 -0.22 0.00 0.00 0.00 175.10 175.35 3kvr s LEU 103 N 0.39 1.96 -0.06 3.92 2.96 -0.40 -1.25 118.68 126.20 3kvr s LEU 103 Ca 0.03 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3kvr s LEU 103 Cb -0.12 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 3kvr s LEU 103 CO 0.00 0.12 -0.19 -0.55 -1.32 0.00 0.00 176.35 174.41 3kvr s SER 104 N 0.49 3.60 -0.08 3.68 0.15 0.92 -0.53 113.70 121.92 3kvr s SER 104 Ca -0.16 -0.35 -0.05 0.00 0.70 0.00 0.00 55.95 56.08 3kvr s SER 104 Cb -0.17 -0.90 0.03 0.00 -1.71 0.00 0.00 66.02 63.27 3kvr s SER 104 CO 0.06 0.28 0.20 -0.69 1.20 0.00 0.00 173.24 174.30 3kvr s VAL 105 N -0.36 -0.03 0.39 4.45 1.01 -0.27 -0.54 120.40 125.05 3kvr s VAL 105 Ca 0.03 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 3kvr s VAL 105 Cb -0.12 -0.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 3kvr s VAL 105 CO 0.02 0.04 0.75 -0.94 0.00 0.00 0.00 175.10 174.97 3kvr s SER 106 N 0.79 6.51 0.00 3.32 1.04 0.67 -2.66 113.70 123.38 3kvr s SER 106 Ca -0.06 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.47 3kvr s SER 106 Cb -0.07 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.74 3kvr s SER 106 CO -0.05 -0.38 0.39 0.00 0.98 0.00 0.00 173.24 174.19 3kvr n HIS 107 N -1.26 0.00 -4.67 5.02 1.44 -0.27 -4.36 115.22 111.11 3kvr n HIS 107 Ca 0.02 -0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 3kvr n HIS 107 Cb 0.54 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.64 3kvr n HIS 107 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kvr n GLY 108 N -0.07 0.10 3.26 -1.39 0.00 -0.86 -3.79 105.19 102.44 3kvr n GLY 108 Ca 0.00 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 3kvr n GLY 108 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kvr s MET 109 N 0.00 2.76 0.00 1.61 -1.94 -1.26 -4.44 119.30 116.02 3kvr s MET 109 Ca 0.00 -0.88 0.00 0.00 -1.71 0.00 0.00 55.69 53.10 3kvr s MET 109 Cb 0.00 -2.24 0.00 0.00 2.01 0.00 0.00 34.83 34.60 3kvr s MET 109 CO 0.00 0.31 0.00 0.41 -0.01 0.00 0.00 175.02 175.73 3kvr n GLY 110 N 3.14 2.59 0.31 -0.03 0.00 -1.26 -4.49 105.19 105.45 3kvr n GLY 110 Ca -0.18 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 43.96 3kvr n GLY 110 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kvr h VAL 111 N 0.00 0.23 -0.59 1.61 2.07 -1.77 -2.18 116.25 115.64 3kvr h VAL 111 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3kvr h VAL 111 Cb 0.00 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 3kvr h VAL 111 CO 0.00 0.00 0.37 -0.65 0.02 0.00 0.00 177.57 177.31 3kvr h PRO 112 N -0.11 0.71 -0.65 1.57 0.11 -1.91 0.22 132.00 131.95 3kvr h PRO 112 Ca 0.26 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 3kvr h PRO 112 Cb 0.53 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.45 3kvr h PRO 112 CO -0.67 0.47 0.29 1.03 -0.21 0.00 0.00 178.00 178.90 3kvr h SER 113 N 0.73 0.85 0.72 -2.05 0.87 -1.64 -1.31 113.55 111.72 3kvr h SER 113 Ca 0.23 -0.10 -0.26 0.00 -1.23 0.00 0.00 61.79 60.43 3kvr h SER 113 Cb -0.01 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3kvr h SER 113 CO -0.08 0.74 -1.24 -0.29 -0.53 0.00 0.00 176.83 175.42 3kvr h ILE 114 N 0.93 1.47 -0.50 2.23 2.10 -1.05 -3.04 117.51 119.65 3kvr h ILE 114 Ca 0.22 -3.12 -0.01 0.00 1.08 0.00 0.00 64.86 63.03 3kvr h ILE 114 Cb 0.13 2.85 -0.02 0.00 -1.09 0.00 0.00 36.82 38.69 3kvr h ILE 114 CO -0.03 0.88 0.26 0.00 -1.08 0.00 0.00 178.15 178.19 3kvr h ALA 115 N 0.73 1.53 -0.22 0.18 0.00 -0.08 0.31 119.26 121.70 3kvr h ALA 115 Ca -0.12 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3kvr h ALA 115 Cb 1.91 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 3kvr h ALA 115 CO 0.16 0.39 -0.27 0.82 0.00 0.00 0.00 179.25 180.35 3kvr h ILE 116 N 0.69 1.32 -0.63 0.00 2.04 -1.22 -2.16 117.51 117.55 3kvr h ILE 116 Ca 0.18 -1.46 0.09 0.00 1.00 0.00 0.00 64.86 64.67 3kvr h ILE 116 Cb 0.04 1.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 3kvr h ILE 116 CO -0.03 0.45 0.27 -0.03 0.00 0.00 0.00 178.15 178.81 3kvr h MET 117 N 0.27 0.45 -0.36 2.37 4.05 -1.33 -2.76 114.93 117.62 3kvr h MET 117 Ca 0.03 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.31 3kvr h MET 117 Cb 0.84 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 3kvr h MET 117 CO 0.07 0.30 -0.23 -0.07 0.23 0.00 0.00 176.91 177.21 3kvr h LEU 118 N 0.47 0.82 -0.65 3.39 3.38 -0.12 0.19 115.31 122.78 3kvr h LEU 118 Ca 0.31 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3kvr h LEU 118 Cb 0.36 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3kvr h LEU 118 CO -0.29 1.07 0.34 0.45 0.09 0.00 0.00 178.44 180.10 3kvr h HIS 119 N 0.57 0.92 0.01 1.13 3.86 -1.29 0.25 115.15 120.59 3kvr h HIS 119 Ca 0.07 -0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 59.05 3kvr h HIS 119 Cb 0.79 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 3kvr h HIS 119 CO 0.06 0.67 -0.89 0.93 0.86 0.00 0.00 177.93 179.56 3kvr h GLU 120 N 0.90 0.20 0.15 2.45 5.08 -1.32 -2.49 114.58 119.54 3kvr h GLU 120 Ca 0.23 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3kvr h GLU 120 Cb 0.08 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kvr h GLU 120 CO -0.03 0.96 -0.09 1.25 -1.00 0.00 0.00 179.01 180.10 3kvr h LEU 121 N 0.11 -0.22 -1.22 1.33 5.85 -0.54 0.64 115.31 121.26 3kvr h LEU 121 Ca -0.05 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3kvr h LEU 121 Cb 1.53 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 3kvr h LEU 121 CO 0.14 -0.15 0.12 0.40 -0.34 0.00 0.00 178.44 178.61 3kvr h ILE 122 N -0.23 1.19 -0.05 4.05 2.04 -0.54 0.52 117.51 124.49 3kvr h ILE 122 Ca -0.02 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 3kvr h ILE 122 Cb 0.19 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3kvr h ILE 122 CO 0.02 0.25 -0.04 0.11 0.00 0.00 0.00 178.15 178.49 3kvr h LYS 123 N 0.65 0.11 -0.90 2.37 1.57 -0.94 -0.25 116.57 119.18 3kvr h LYS 123 Ca 0.15 -0.06 0.25 0.00 -1.87 0.00 0.00 60.65 59.12 3kvr h LYS 123 Cb 0.22 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.39 3kvr h LYS 123 CO -0.01 0.55 0.30 1.25 -0.57 0.00 0.00 179.45 180.98 3kvr h LEU 124 N -0.32 0.10 -0.23 2.94 6.46 0.13 0.18 115.31 124.57 3kvr h LEU 124 Ca 0.01 0.20 -0.21 0.00 -0.12 0.00 0.00 57.88 57.75 3kvr h LEU 124 Cb 0.53 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.70 3kvr h LEU 124 CO 0.01 -0.15 -0.89 -0.07 -0.62 0.00 0.00 178.44 176.72 3kvr h LEU 125 N 0.23 0.51 -0.36 2.25 3.38 -0.44 -1.80 115.31 119.08 3kvr h LEU 125 Ca 0.59 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3kvr h LEU 125 Cb 1.22 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3kvr h LEU 125 CO -0.65 1.18 -0.04 0.22 0.09 0.00 0.00 178.44 179.23 3kvr h TYR 126 N 0.24 0.73 0.00 1.13 5.03 0.61 -1.72 116.97 122.99 3kvr h TYR 126 Ca -0.07 -0.14 -0.05 0.00 2.58 0.00 0.00 58.73 61.05 3kvr h TYR 126 Cb 1.51 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.60 3kvr h TYR 126 CO 0.05 0.79 -0.26 0.45 -1.32 0.00 0.00 178.16 177.88 3kvr h HIS 127 N 0.46 0.00 0.00 -3.82 3.86 -0.91 -2.29 115.15 112.45 3kvr h HIS 127 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3kvr h HIS 127 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3kvr h HIS 127 CO 0.04 0.26 0.00 0.00 0.86 0.00 0.00 177.93 179.09 3kvr n ALA 128 N -2.49 2.32 -3.75 2.45 0.00 -0.69 -4.15 120.51 114.20 3kvr n ALA 128 Ca -0.02 -0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.06 3kvr n ALA 128 Cb 0.31 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.36 3kvr n ALA 128 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kvr n HIS 129 N -1.32 -2.08 -1.85 0.00 -0.00 -0.86 -4.08 115.22 105.04 3kvr n HIS 129 Ca 0.12 0.87 -0.32 0.00 -0.00 0.00 0.00 57.72 58.39 3kvr n HIS 129 Cb 0.23 -4.33 0.03 0.00 -0.00 0.00 0.00 29.99 25.91 3kvr n HIS 129 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kvr s SER 131 N -3.13 -0.20 -1.35 0.00 1.04 -1.26 -1.61 113.70 107.19 3kvr s SER 131 Ca 0.62 0.02 -0.07 0.00 0.48 0.00 0.00 55.95 56.99 3kvr s SER 131 Cb -0.16 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.33 3kvr s SER 131 CO 0.44 -0.53 1.07 0.61 0.98 0.00 0.00 173.24 175.80 3kvr n GLY 132 N 0.95 -0.48 3.84 7.32 0.00 -0.83 -4.84 105.19 111.16 3kvr n GLY 132 Ca -0.20 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3kvr n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kvr s VAL 133 N -3.36 4.82 -0.01 1.61 1.01 -1.26 -4.84 120.40 118.37 3kvr s VAL 133 Ca 0.42 0.85 0.08 0.00 0.00 0.00 0.00 61.98 63.33 3kvr s VAL 133 Cb -0.19 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3kvr s VAL 133 CO 0.75 0.18 -0.25 -0.89 0.00 0.00 0.00 175.10 174.90 3kvr s THR 134 N -1.54 1.97 -0.05 3.92 2.01 -0.35 -4.21 115.64 117.39 3kvr s THR 134 Ca 0.40 -1.11 0.05 0.00 0.31 0.00 0.00 61.69 61.34 3kvr s THR 134 Cb -0.15 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.71 3kvr s THR 134 CO 0.20 0.51 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.66 3kvr s LEU 135 N -0.70 2.00 -0.08 4.42 1.02 -0.82 0.05 118.68 124.56 3kvr s LEU 135 Ca 0.10 -0.45 -0.03 0.00 0.02 0.00 0.00 54.13 53.77 3kvr s LEU 135 Cb -0.10 -1.20 0.04 0.00 0.02 0.00 0.00 46.19 44.96 3kvr s LEU 135 CO -0.00 0.20 0.14 -0.63 0.02 0.00 0.00 176.35 176.07 3kvr s ILE 136 N -0.03 -0.23 0.00 -0.59 1.01 -0.69 -1.60 121.20 119.07 3kvr s ILE 136 Ca -0.05 0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.68 3kvr s ILE 136 Cb -0.13 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 3kvr s ILE 136 CO 0.03 0.15 0.91 -0.60 0.00 0.00 0.00 174.94 175.43 3kvr s ARG 137 N 2.27 4.55 -0.21 2.79 3.52 -0.53 -1.76 118.95 129.58 3kvr s ARG 137 Ca 0.04 1.29 -0.03 0.00 -0.13 0.00 0.00 55.73 56.90 3kvr s ARG 137 Cb -0.12 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 3kvr s ARG 137 CO -0.05 0.02 -0.08 0.96 -0.81 0.00 0.00 175.30 175.34 3kvr s ILE 138 N 0.80 3.06 0.00 4.11 -4.36 -0.03 -0.54 121.20 124.24 3kvr s ILE 138 Ca 0.48 -0.63 0.00 0.00 -0.26 0.00 0.00 60.65 60.24 3kvr s ILE 138 Cb -0.21 -2.39 0.00 0.00 1.25 0.00 0.00 42.46 41.12 3kvr s ILE 138 CO 0.26 0.43 0.00 0.61 0.24 0.00 0.00 174.94 176.48 3kvr n GLY 139 N 4.75 4.71 3.37 6.27 0.00 -0.74 -4.27 105.19 119.29 3kvr n GLY 139 Ca -0.19 -1.36 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 3kvr n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvr s THR 140 N -1.41 1.63 0.22 2.61 -4.23 -1.26 -0.92 115.64 112.28 3kvr s THR 140 Ca 0.00 -2.16 -0.22 0.00 -1.18 0.00 0.00 61.69 58.13 3kvr s THR 140 Cb 0.00 -2.22 0.06 0.00 1.34 0.00 0.00 72.50 71.68 3kvr s THR 140 CO 0.00 -0.46 0.93 -0.94 -0.54 0.00 0.00 174.62 173.60 3kvr s SER 141 N -3.36 -0.10 -0.18 3.99 1.04 -0.13 -4.81 113.70 110.16 3kvr s SER 141 Ca 0.25 -0.64 -0.07 0.00 0.48 0.00 0.00 55.95 55.98 3kvr s SER 141 Cb 0.02 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 3kvr s SER 141 CO 0.09 -1.12 0.05 -0.83 0.98 0.00 0.00 173.24 172.41 3kvr s GLY 142 N -3.10 1.89 0.47 7.32 0.00 -0.24 -0.55 107.32 113.10 3kvr s GLY 142 Ca 0.15 -0.75 -0.07 0.00 0.00 0.00 0.00 44.72 44.05 3kvr s GLY 142 CO 0.05 0.02 0.79 -0.32 0.00 0.00 0.00 173.10 173.64 3kvr s GLY 143 N 0.30 1.64 -0.24 0.20 0.00 0.06 0.39 107.32 109.68 3kvr s GLY 143 Ca 0.03 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.37 3kvr s GLY 143 CO 0.00 -0.22 -0.09 -0.42 0.00 0.00 0.00 173.10 172.38 3kvr s ILE 144 N -2.66 1.82 -0.79 0.90 1.01 0.17 -0.12 121.20 121.54 3kvr s ILE 144 Ca 0.49 -1.34 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 3kvr s ILE 144 Cb -0.10 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.39 3kvr s ILE 144 CO 0.41 -0.00 0.07 0.61 0.00 0.00 0.00 174.94 176.03 3kvr n GLY 145 N 4.58 0.02 3.24 6.18 0.00 -1.26 -4.77 105.19 113.17 3kvr n GLY 145 Ca -0.14 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 3kvr n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvr s LEU 146 N -2.89 2.23 0.37 0.99 1.43 -1.26 -5.11 118.68 114.44 3kvr s LEU 146 Ca 0.03 -0.59 -0.28 0.00 -1.03 0.00 0.00 54.13 52.27 3kvr s LEU 146 Cb -0.02 -0.85 -0.10 0.00 0.03 0.00 0.00 46.19 45.26 3kvr s LEU 146 CO 0.04 0.08 1.39 -1.83 0.23 0.00 0.00 176.35 176.27 3kvr s GLU 147 N -1.51 4.12 0.47 1.70 -1.05 -1.26 -4.47 118.70 116.71 3kvr s GLU 147 Ca 0.05 2.38 -0.22 0.00 -0.15 0.00 0.00 54.97 57.03 3kvr s GLU 147 Cb -0.09 -2.94 -0.09 0.00 -0.44 0.00 0.00 34.13 30.57 3kvr s GLU 147 CO 0.03 -0.44 0.95 -2.30 0.95 0.00 0.00 175.26 174.45 3kvr n PRO 148 N 0.45 1.17 0.00 -4.83 -0.02 -1.26 -2.31 135.00 128.20 3kvr n PRO 148 Ca 0.01 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3kvr n PRO 148 Cb 0.41 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3kvr n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvr n GLY 149 N 1.27 1.08 3.77 -1.23 0.00 -0.13 -4.99 105.19 104.96 3kvr n GLY 149 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3kvr n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kvr s SER 150 N -2.42 6.26 -0.11 1.61 0.01 -0.98 -4.62 113.70 113.45 3kvr s SER 150 Ca 0.00 2.81 -0.05 0.00 1.31 0.00 0.00 55.95 60.02 3kvr s SER 150 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 3kvr s SER 150 CO 0.00 -0.90 0.09 -0.69 0.41 0.00 0.00 173.24 172.15 3kvr s VAL 151 N -1.20 5.10 -0.12 3.43 1.01 -0.75 -1.07 120.40 126.81 3kvr s VAL 151 Ca 0.56 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.60 3kvr s VAL 151 Cb -0.41 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3kvr s VAL 151 CO 0.54 0.61 -0.12 -0.69 0.00 0.00 0.00 175.10 175.45 3kvr s VAL 152 N -0.95 3.18 -0.31 2.92 1.01 0.23 -1.85 120.40 124.64 3kvr s VAL 152 Ca 0.14 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 3kvr s VAL 152 Cb -0.12 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3kvr s VAL 152 CO 0.03 0.53 0.19 -0.63 0.00 0.00 0.00 175.10 175.23 3kvr s ILE 153 N 0.14 5.07 0.09 2.22 -1.09 -0.19 -2.26 121.20 125.18 3kvr s ILE 153 Ca -0.06 -0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 57.92 3kvr s ILE 153 Cb -0.15 -3.53 -0.06 0.00 -1.58 0.00 0.00 42.46 37.15 3kvr s ILE 153 CO 0.04 0.11 1.11 -0.89 -1.23 0.00 0.00 174.94 174.09 3kvr s THR 154 N 1.70 4.19 -0.20 2.92 2.01 -0.85 -2.58 115.64 122.82 3kvr s THR 154 Ca 0.06 1.67 -0.21 0.00 0.31 0.00 0.00 61.69 63.52 3kvr s THR 154 Cb -0.17 -4.07 -0.20 0.00 0.01 0.00 0.00 72.50 68.08 3kvr s THR 154 CO 0.09 0.18 0.23 -0.09 -0.69 0.00 0.00 174.62 174.35 3kvr h ARG 155 N 6.24 0.02 -4.19 4.92 2.43 -1.29 -3.42 114.38 119.08 3kvr h ARG 155 Ca -0.42 -0.04 -0.42 0.00 -0.81 0.00 0.00 59.98 58.29 3kvr h ARG 155 Cb 1.21 0.01 -0.33 0.00 -0.42 0.00 0.00 29.97 30.45 3kvr h ARG 155 CO 0.77 1.02 -0.78 -1.14 -1.51 0.00 0.00 179.97 178.32 3kvr s GLN 156 N -2.38 0.96 0.11 0.20 0.74 -1.26 -1.57 119.66 116.46 3kvr s GLN 156 Ca -0.28 -0.18 -0.20 0.00 0.05 0.00 0.00 55.36 54.74 3kvr s GLN 156 Cb 0.06 -0.91 -0.07 0.00 1.10 0.00 0.00 33.01 33.19 3kvr s GLN 156 CO 0.61 -0.03 0.62 0.00 -0.55 0.00 0.00 175.29 175.94 3kvr s ALA 157 N 0.71 3.55 0.08 1.58 0.00 -0.80 -1.50 121.76 125.38 3kvr s ALA 157 Ca -0.11 0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.96 3kvr s ALA 157 Cb -0.13 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 3kvr s ALA 157 CO 0.01 0.38 -0.06 0.54 0.00 0.00 0.00 175.76 176.62 3kvr s VAL 158 N -1.19 0.61 0.74 0.00 0.11 0.16 -4.39 120.40 116.43 3kvr s VAL 158 Ca 0.32 -1.79 -0.01 0.00 -2.93 0.00 0.00 61.98 57.58 3kvr s VAL 158 Cb -0.20 -1.50 0.15 0.00 -1.53 0.00 0.00 36.38 33.31 3kvr s VAL 158 CO 0.21 -0.82 1.01 -0.90 -3.33 0.00 0.00 175.10 171.27 3kvr n ASP 159 N 0.21 1.32 0.00 3.54 3.85 0.05 -1.02 116.55 124.49 3kvr n ASP 159 Ca -0.14 -2.12 0.07 0.00 -0.71 0.00 0.00 54.79 51.89 3kvr n ASP 159 Cb 0.60 -0.66 0.39 0.00 -1.35 0.00 0.00 41.12 40.10 3kvr n ASP 159 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 3kvr n PRO 160 N -2.87 0.27 -0.27 0.11 -0.02 -1.26 -1.13 135.00 129.83 3kvr n PRO 160 Ca 0.16 0.12 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 3kvr n PRO 160 Cb 0.59 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.78 3kvr n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kvr n PHE 162 N 0.64 0.00 -3.70 0.00 0.99 -0.28 -5.02 117.46 110.09 3kvr n PHE 162 Ca 0.16 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.23 3kvr n PHE 162 Cb 0.54 -0.17 -0.06 0.00 -1.00 0.00 0.00 39.48 38.79 3kvr n PHE 162 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3kvr s LYS 163 N -0.71 3.70 -1.25 -1.08 1.02 -1.26 -4.65 119.74 115.51 3kvr s LYS 163 Ca 0.00 0.11 -0.12 0.00 0.02 0.00 0.00 55.97 55.98 3kvr s LYS 163 Cb 0.00 -3.22 -0.06 0.00 -0.52 0.00 0.00 37.83 34.03 3kvr s LYS 163 CO 0.00 0.70 2.40 -0.35 -0.92 0.00 0.00 175.35 177.18 3kvr n PRO 164 N 2.04 2.71 -4.14 -1.68 -0.04 -1.26 -0.77 135.00 131.85 3kvr n PRO 164 Ca -0.17 -2.02 -0.16 0.00 -0.04 0.00 0.00 63.50 61.11 3kvr n PRO 164 Cb 0.54 -2.82 -0.12 0.00 -0.04 0.00 0.00 33.50 31.06 3kvr n PRO 164 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kvr s GLU 165 N 3.20 0.75 -0.25 0.54 2.02 -1.26 -2.77 118.70 120.92 3kvr s GLU 165 Ca 0.54 -0.94 0.01 0.00 0.02 0.00 0.00 54.97 54.60 3kvr s GLU 165 Cb 0.14 -0.64 0.05 0.00 0.10 0.00 0.00 34.13 33.78 3kvr s GLU 165 CO -0.03 0.13 -0.10 0.12 0.02 0.00 0.00 175.26 175.40 3kvr s PHE 166 N -1.50 3.16 -0.10 1.61 2.19 -0.20 -4.48 117.98 118.66 3kvr s PHE 166 Ca -0.03 -2.01 -0.27 0.00 0.33 0.00 0.00 56.93 54.94 3kvr s PHE 166 Cb -0.09 -1.98 -0.02 0.00 -1.31 0.00 0.00 43.02 39.62 3kvr s PHE 166 CO 0.01 -0.83 0.90 -2.00 1.83 0.00 0.00 175.22 175.14 3kvr s GLU 167 N 1.19 4.41 0.10 10.12 2.12 -1.26 -2.00 118.70 133.38 3kvr s GLU 167 Ca -0.05 1.21 0.08 0.00 0.36 0.00 0.00 54.97 56.57 3kvr s GLU 167 Cb -0.18 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 3kvr s GLU 167 CO -0.05 -0.21 -0.22 -1.14 -0.54 0.00 0.00 175.26 173.10 3kvr s GLN 168 N 1.66 1.20 -0.25 4.30 0.74 0.57 -4.95 119.66 122.93 3kvr s GLN 168 Ca 0.44 -1.15 -0.10 0.00 0.05 0.00 0.00 55.36 54.60 3kvr s GLN 168 Cb -0.18 -1.47 -0.05 0.00 1.10 0.00 0.00 33.01 32.41 3kvr s GLN 168 CO 0.18 0.35 0.16 0.42 -0.55 0.00 0.00 175.29 175.85 3kvr s ILE 169 N -1.10 5.23 -0.13 -2.34 -1.09 -1.26 -0.05 121.20 120.46 3kvr s ILE 169 Ca 0.07 0.14 -0.00 0.00 -2.23 0.00 0.00 60.65 58.63 3kvr s ILE 169 Cb -0.10 -3.45 0.03 0.00 -1.58 0.00 0.00 42.46 37.36 3kvr s ILE 169 CO 0.04 0.32 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.30 3kvr s VAL 170 N 1.28 1.17 -1.78 2.92 1.01 0.06 -4.59 120.40 120.47 3kvr s VAL 170 Ca 0.07 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 3kvr s VAL 170 Cb -0.14 -1.21 0.19 0.00 0.00 0.00 0.00 36.38 35.22 3kvr s VAL 170 CO 0.06 0.33 0.62 0.18 0.00 0.00 0.00 175.10 176.29 3kvr n LEU 171 N 4.89 -1.20 0.00 3.92 4.77 -1.26 -1.58 117.00 126.53 3kvr n LEU 171 Ca -0.13 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 3kvr n LEU 171 Cb 0.49 -1.80 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 3kvr n LEU 171 CO 0.18 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3kvr n GLY 172 N -1.32 0.79 3.44 -0.72 0.00 -1.26 -5.02 105.19 101.11 3kvr n GLY 172 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3kvr n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvr s LYS 173 N -0.27 2.62 0.11 1.61 -0.14 -0.61 -5.08 119.74 117.97 3kvr s LYS 173 Ca 0.00 -0.71 -0.31 0.00 -1.36 0.00 0.00 55.97 53.59 3kvr s LYS 173 Cb 0.00 -2.39 -0.08 0.00 -1.68 0.00 0.00 37.83 33.68 3kvr s LYS 173 CO 0.00 0.55 1.46 0.50 -0.76 0.00 0.00 175.35 177.10 3kvr s ARG 174 N -0.54 4.28 0.02 1.68 3.52 -1.26 -0.76 118.95 125.90 3kvr s ARG 174 Ca 0.07 2.15 0.05 0.00 -0.13 0.00 0.00 55.73 57.88 3kvr s ARG 174 Cb -0.11 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.96 3kvr s ARG 174 CO 0.01 -0.52 -0.16 -1.21 -0.81 0.00 0.00 175.30 172.61 3kvr s GLU 175 N 1.40 1.17 -0.04 5.12 2.02 0.93 -4.92 118.70 124.38 3kvr s GLU 175 Ca 0.67 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.97 3kvr s GLU 175 Cb -0.38 -1.19 -0.01 0.00 0.10 0.00 0.00 34.13 32.65 3kvr s GLU 175 CO 0.30 0.31 -0.20 0.08 0.02 0.00 0.00 175.26 175.77 3kvr s VAL 176 N -0.67 1.64 0.10 2.63 1.01 -1.26 -0.31 120.40 123.54 3kvr s VAL 176 Ca 0.05 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3kvr s VAL 176 Cb -0.07 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 3kvr s VAL 176 CO 0.01 0.46 -0.15 -0.13 0.00 0.00 0.00 175.10 175.29 3kvr s ARG 177 N -0.10 0.97 0.35 2.72 0.52 -0.85 -4.94 118.95 117.63 3kvr s ARG 177 Ca -0.02 -1.14 -0.22 0.00 -0.52 0.00 0.00 55.73 53.83 3kvr s ARG 177 Cb -0.12 -0.94 -0.10 0.00 0.52 0.00 0.00 34.95 34.31 3kvr s ARG 177 CO 0.02 0.20 0.89 1.21 0.02 0.00 0.00 175.30 177.64 3kvr s ASN 178 N -2.16 7.07 -0.26 0.23 2.47 -1.26 -1.03 114.94 120.00 3kvr s ASN 178 Ca 0.05 1.65 0.11 0.00 0.42 0.00 0.00 52.86 55.10 3kvr s ASN 178 Cb -0.07 -2.52 0.46 0.00 -1.45 0.00 0.00 41.25 37.67 3kvr s ASN 178 CO 0.03 -0.19 1.18 0.35 -3.72 0.00 0.00 177.10 174.75 3kvr n THR 179 N -0.03 2.14 -2.58 -5.21 -2.24 -1.12 -4.28 114.28 100.97 3kvr n THR 179 Ca 0.04 -3.70 -0.32 0.00 -2.27 0.00 0.00 64.05 57.80 3kvr n THR 179 Cb 0.52 -0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 3kvr n THR 179 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kvr s ASP 180 N -3.51 6.68 0.16 3.42 1.01 -1.26 -1.90 116.67 121.26 3kvr s ASP 180 Ca 0.44 1.52 0.05 0.00 0.71 0.00 0.00 52.55 55.26 3kvr s ASP 180 Cb 0.39 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 3kvr s ASP 180 CO -0.00 -0.50 0.16 -0.76 0.21 0.00 0.00 175.17 174.28 3kvr s LEU 181 N -3.81 3.88 -0.25 1.23 1.43 -0.61 -4.92 118.68 115.63 3kvr s LEU 181 Ca 0.58 -0.09 -0.35 0.00 -1.03 0.00 0.00 54.13 53.25 3kvr s LEU 181 Cb -0.10 -2.48 -0.11 0.00 0.03 0.00 0.00 46.19 43.53 3kvr s LEU 181 CO 0.27 0.07 2.06 -0.67 0.23 0.00 0.00 176.35 178.31 3kvr n ASP 182 N -0.38 2.68 -0.34 2.29 -0.08 -1.25 -4.85 116.55 114.60 3kvr n ASP 182 Ca -0.08 0.61 0.12 0.00 -1.51 0.00 0.00 54.79 53.93 3kvr n ASP 182 Cb 0.55 -1.32 0.32 0.00 2.34 0.00 0.00 41.12 43.00 3kvr n ASP 182 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3kvr h GLU 183 N 11.32 0.78 0.00 -0.67 4.39 -1.95 -2.30 114.58 126.15 3kvr h GLU 183 Ca -0.37 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.10 3kvr h GLU 183 Cb 1.30 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 3kvr h GLU 183 CO 0.99 0.51 -0.86 1.96 -1.16 0.00 0.00 179.01 180.45 3kvr h GLN 184 N 0.80 0.00 -0.13 2.33 4.20 -1.99 -2.10 115.11 118.21 3kvr h GLN 184 Ca 0.54 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 59.11 3kvr h GLN 184 Cb 0.80 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3kvr h GLN 184 CO -0.32 0.86 -0.54 1.25 -0.67 0.00 0.00 178.83 179.40 3kvr h LEU 185 N 0.00 0.43 -0.52 1.46 6.46 -1.81 -1.67 115.31 119.66 3kvr h LEU 185 Ca -0.01 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.49 3kvr h LEU 185 Cb 1.62 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.40 3kvr h LEU 185 CO 0.11 0.89 0.19 -0.37 -0.62 0.00 0.00 178.44 178.64 3kvr h VAL 186 N 0.30 1.22 -0.66 1.05 -1.51 -1.21 0.91 116.25 116.36 3kvr h VAL 186 Ca 0.01 -0.71 -0.01 0.00 -1.23 0.00 0.00 66.70 64.76 3kvr h VAL 186 Cb 1.04 0.71 -0.03 0.00 -2.13 0.00 0.00 31.29 30.89 3kvr h VAL 186 CO 0.09 0.27 0.36 1.56 -1.23 0.00 0.00 177.57 178.62 3kvr h GLN 187 N 0.70 0.92 -0.63 5.19 1.08 -1.29 0.53 115.11 121.62 3kvr h GLN 187 Ca 0.17 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 3kvr h GLN 187 Cb 0.22 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 3kvr h GLN 187 CO -0.01 0.69 0.05 1.49 -0.95 0.00 0.00 178.83 180.10 3kvr h GLU 188 N 0.90 1.07 -0.58 1.46 4.81 -1.09 -1.29 114.58 119.86 3kvr h GLU 188 Ca 0.23 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3kvr h GLU 188 Cb 0.04 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3kvr h GLU 188 CO -0.04 1.01 0.21 -0.07 -0.73 0.00 0.00 179.01 179.40 3kvr h LEU 189 N 0.99 0.82 -0.42 1.64 -0.00 -0.41 -1.14 115.31 116.79 3kvr h LEU 189 Ca 0.18 -0.19 0.06 0.00 -0.00 0.00 0.00 57.88 57.93 3kvr h LEU 189 Cb 0.50 -0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 40.90 3kvr h LEU 189 CO 0.02 0.79 0.14 0.00 -0.00 0.00 0.00 178.44 179.38 3kvr h ALA 190 N 1.07 0.50 -0.65 1.53 0.00 -0.53 -1.42 119.26 119.75 3kvr h ALA 190 Ca 0.19 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3kvr h ALA 190 Cb 0.24 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3kvr h ALA 190 CO -0.01 -0.26 0.43 -0.09 0.00 0.00 0.00 179.25 179.32 3kvr h ARG 191 N 0.29 0.83 -0.41 0.00 2.43 -0.90 0.11 114.38 116.73 3kvr h ARG 191 Ca 0.20 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 3kvr h ARG 191 Cb 0.20 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3kvr h ARG 191 CO -0.22 0.55 -0.28 0.00 -1.51 0.00 0.00 179.97 178.51 3kvr h SER 193 N 0.75 0.74 -1.00 0.00 0.87 -0.20 -1.88 113.55 112.83 3kvr h SER 193 Ca 0.09 -0.27 0.14 0.00 -1.23 0.00 0.00 61.79 60.52 3kvr h SER 193 Cb 0.84 -0.20 -0.09 0.00 -0.44 0.00 0.00 62.40 62.51 3kvr h SER 193 CO 0.07 0.83 0.62 0.00 -0.53 0.00 0.00 176.83 177.82 3kvr h ALA 194 N 0.94 1.56 0.00 6.23 0.00 -0.65 -1.79 119.26 125.55 3kvr h ALA 194 Ca 0.14 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3kvr h ALA 194 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kvr h ALA 194 CO 0.01 0.14 -0.27 0.93 0.00 0.00 0.00 179.25 180.06 3kvr h GLU 195 N 0.92 0.00 0.23 0.00 5.08 -0.68 -2.71 114.58 117.43 3kvr h GLU 195 Ca 0.52 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.55 3kvr h GLU 195 Cb 0.62 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.90 3kvr h GLU 195 CO -0.30 0.27 -1.46 -0.07 -1.00 0.00 0.00 179.01 176.44 3kvr h LEU 196 N 0.00 0.77 -1.04 1.33 3.38 -0.93 -3.48 115.31 115.33 3kvr h LEU 196 Ca -0.00 -0.84 -0.47 0.00 0.09 0.00 0.00 57.88 56.66 3kvr h LEU 196 Cb 0.49 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3kvr h LEU 196 CO 0.03 1.66 -0.76 0.61 0.09 0.00 0.00 178.44 180.07 3kvr n GLY 197 N 1.70 -0.48 0.03 0.83 0.00 -0.75 -4.91 105.19 101.61 3kvr n GLY 197 Ca -0.16 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.07 3kvr n GLY 197 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kvr n GLU 198 N -4.66 0.94 -3.51 1.61 1.02 -1.26 -5.04 120.64 109.74 3kvr n GLU 198 Ca 0.02 -0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 56.95 3kvr n GLU 198 Cb 0.54 -1.36 -0.04 0.00 -0.02 0.00 0.00 31.44 30.56 3kvr n GLU 198 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3kvr s PHE 199 N -2.78 -0.46 0.46 -0.32 -0.71 -1.26 -5.16 117.98 107.75 3kvr s PHE 199 Ca -0.06 0.54 -0.23 0.00 -1.04 0.00 0.00 56.93 56.14 3kvr s PHE 199 Cb 0.08 0.49 -0.08 0.00 -1.21 0.00 0.00 43.02 42.30 3kvr s PHE 199 CO 0.61 -0.57 1.14 -2.14 -1.34 0.00 0.00 175.22 172.92 3kvr s PRO 200 N -2.35 3.78 -0.13 1.99 0.02 -1.26 -4.93 135.00 132.12 3kvr s PRO 200 Ca -0.01 1.71 -0.06 0.00 0.02 0.00 0.00 61.00 62.66 3kvr s PRO 200 Cb -0.01 -2.38 0.06 0.00 0.02 0.00 0.00 34.50 32.19 3kvr s PRO 200 CO -0.03 -0.52 0.30 0.99 -0.33 0.00 0.00 177.00 177.41 3kvr s THR 201 N -1.60 -0.23 0.36 0.99 2.01 -1.26 -1.80 115.64 114.12 3kvr s THR 201 Ca 0.64 0.19 0.09 0.00 0.31 0.00 0.00 61.69 62.91 3kvr s THR 201 Cb -0.27 -0.47 -0.07 0.00 0.01 0.00 0.00 72.50 71.71 3kvr s THR 201 CO 0.32 0.08 -0.03 0.68 -0.69 0.00 0.00 174.62 174.98 3kvr s VAL 202 N 1.82 2.25 -0.08 3.82 -7.23 -0.77 -4.98 120.40 115.22 3kvr s VAL 202 Ca -0.05 -2.08 -0.01 0.00 -1.81 0.00 0.00 61.98 58.03 3kvr s VAL 202 Cb -0.11 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 3kvr s VAL 202 CO -0.10 -0.14 -0.03 0.68 -0.31 0.00 0.00 175.10 175.20 3kvr s VAL 203 N -2.62 3.99 0.18 1.32 -7.23 -1.26 -1.03 120.40 113.75 3kvr s VAL 203 Ca 0.34 -0.37 -0.24 0.00 -1.81 0.00 0.00 61.98 59.91 3kvr s VAL 203 Cb 0.04 -2.66 0.05 0.00 0.56 0.00 0.00 36.38 34.37 3kvr s VAL 203 CO 0.18 0.59 0.81 -0.83 -0.31 0.00 0.00 175.10 175.53 3kvr s GLY 204 N -0.73 -0.28 0.43 2.32 0.00 -1.07 -4.93 107.32 103.07 3kvr s GLY 204 Ca 0.11 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.91 3kvr s GLY 204 CO 0.02 0.04 0.75 -1.31 0.00 0.00 0.00 173.10 172.60 3kvr s ASN 205 N -2.84 6.38 -0.09 1.64 0.01 -0.91 -0.73 114.94 118.40 3kvr s ASN 205 Ca 0.09 0.98 0.01 0.00 -0.71 0.00 0.00 52.86 53.23 3kvr s ASN 205 Cb -0.03 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.38 3kvr s ASN 205 CO -0.00 -0.47 -0.12 -0.89 -1.51 0.00 0.00 177.10 174.11 3kvr s THR 206 N -2.53 1.26 -0.11 1.60 2.01 -0.56 0.19 115.64 117.50 3kvr s THR 206 Ca 0.48 -0.51 -0.12 0.00 0.31 0.00 0.00 61.69 61.85 3kvr s THR 206 Cb -0.10 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 3kvr s THR 206 CO 0.38 0.39 0.28 -0.32 -0.69 0.00 0.00 174.62 174.67 3kvr s MET 207 N 1.02 3.99 -0.15 4.92 1.75 -0.31 0.39 119.30 130.92 3kvr s MET 207 Ca -0.07 0.11 -0.02 0.00 -1.25 0.00 0.00 55.69 54.47 3kvr s MET 207 Cb -0.15 -3.32 -0.02 0.00 2.84 0.00 0.00 34.83 34.18 3kvr s MET 207 CO -0.01 0.47 -0.09 0.00 -0.65 0.00 0.00 175.02 174.73 3kvr s THR 209 N 0.54 1.27 -2.00 0.00 -4.23 0.10 -4.23 115.64 107.09 3kvr s THR 209 Ca -0.06 -2.01 0.22 0.00 -1.18 0.00 0.00 61.69 58.65 3kvr s THR 209 Cb -0.15 -2.76 0.55 0.00 1.34 0.00 0.00 72.50 71.48 3kvr s THR 209 CO 0.03 -0.04 1.47 0.18 -0.54 0.00 0.00 174.62 175.73 3kvr n LEU 210 N -0.68 3.72 -3.69 4.79 4.77 -1.26 -4.48 117.00 120.17 3kvr n LEU 210 Ca -0.03 -1.86 -0.12 0.00 -0.03 0.00 0.00 56.01 53.98 3kvr n LEU 210 Cb 0.66 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 3kvr n LEU 210 CO 0.42 0.90 0.17 -0.62 -1.33 0.00 0.00 177.39 176.93 3kvr s ASP 211 N -1.12 -0.59 0.22 -1.43 2.15 -1.26 -4.98 116.67 109.66 3kvr s ASP 211 Ca 0.44 1.05 0.11 0.00 0.43 0.00 0.00 52.55 54.58 3kvr s ASP 211 Cb 0.23 1.00 0.07 0.00 -0.30 0.00 0.00 42.92 43.92 3kvr s ASP 211 CO 0.31 -0.19 1.43 0.15 -0.17 0.00 0.00 175.17 176.70 3kvr h PHE 212 N 6.16 0.00 0.00 -5.34 3.04 -1.92 -3.17 116.94 115.71 3kvr h PHE 212 Ca -0.31 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.64 3kvr h PHE 212 Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 3kvr h PHE 212 CO 0.30 0.71 0.00 0.66 -2.02 0.00 0.00 178.31 177.96 3kvr n TYR 213 N -3.39 0.00 0.26 0.41 4.01 -1.26 -3.92 117.16 113.27 3kvr n TYR 213 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 3kvr n TYR 213 Cb 0.78 0.00 0.73 0.00 -0.31 0.00 0.00 39.34 40.53 3kvr n TYR 213 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3kvr h GLU 214 N 0.00 0.00 0.00 -0.72 5.08 -1.82 -0.64 114.58 116.48 3kvr h GLU 214 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3kvr h GLU 214 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kvr h GLU 214 CO 0.00 0.12 -0.08 0.78 -1.00 0.00 0.00 179.01 178.83 3kvr h GLY 215 N 0.94 0.00 -0.37 -3.84 0.00 -1.79 -3.07 103.07 94.93 3kvr h GLY 215 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3kvr h GLY 215 CO 0.02 0.00 -0.06 -1.06 0.00 0.00 0.00 176.54 175.43 3kvr n GLN 216 N -3.23 1.53 -0.99 4.80 6.02 -0.99 -4.83 117.38 119.69 3kvr n GLN 216 Ca 0.00 -2.71 0.00 0.00 -0.01 0.00 0.00 57.00 54.28 3kvr n GLN 216 Cb 0.32 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.02 3kvr n GLN 216 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvr n GLY 217 N -1.28 0.40 3.74 1.08 0.00 -1.16 -5.01 105.19 102.96 3kvr n GLY 217 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3kvr n GLY 217 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kvr s ARG 218 N -0.47 2.57 0.00 1.61 0.52 -0.28 -4.78 118.95 118.12 3kvr s ARG 218 Ca 0.00 1.77 0.17 0.00 -0.52 0.00 0.00 55.73 57.15 3kvr s ARG 218 Cb 0.00 -1.88 0.47 0.00 0.52 0.00 0.00 34.95 34.06 3kvr s ARG 218 CO 0.00 -1.51 1.39 1.28 0.02 0.00 0.00 175.30 176.48 3kvr n LEU 219 N -2.18 3.44 -0.24 2.53 4.77 -1.26 -4.61 117.00 119.45 3kvr n LEU 219 Ca 0.13 -1.93 0.03 0.00 -0.03 0.00 0.00 56.01 54.22 3kvr n LEU 219 Cb 0.50 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3kvr n LEU 219 CO 0.46 0.85 0.33 -0.67 -1.33 0.00 0.00 177.39 177.03 3kvr n ASP 220 N 1.14 1.45 -2.55 -1.43 4.64 -1.26 -4.97 116.55 113.58 3kvr n ASP 220 Ca 0.18 -1.23 -0.05 0.00 -1.38 0.00 0.00 54.79 52.32 3kvr n ASP 220 Cb 0.53 0.07 0.02 0.00 -1.04 0.00 0.00 41.12 40.71 3kvr n ASP 220 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kvr n GLY 221 N 0.42 0.92 0.23 0.27 0.00 -1.26 -4.99 105.19 100.78 3kvr n GLY 221 Ca 0.04 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.18 3kvr n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvr h ALA 222 N -0.35 0.97 -4.03 4.61 0.00 -2.00 -3.44 119.26 115.02 3kvr h ALA 222 Ca -0.07 -0.07 -0.49 0.00 0.00 0.00 0.00 54.91 54.29 3kvr h ALA 222 Cb 0.26 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 17.76 3kvr h ALA 222 CO 0.08 0.09 -0.81 -0.51 0.00 0.00 0.00 179.25 178.10 3kvr s LEU 223 N -6.28 2.10 -0.30 0.00 1.43 -1.26 -5.13 118.68 109.25 3kvr s LEU 223 Ca 0.05 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 3kvr s LEU 223 Cb 0.07 -0.74 0.18 0.00 0.03 0.00 0.00 46.19 45.73 3kvr s LEU 223 CO 0.64 0.13 1.03 0.00 0.23 0.00 0.00 176.35 178.38 3kvr n SER 225 N 5.18 3.61 -3.83 0.00 3.41 -1.26 -5.00 113.62 115.72 3kvr n SER 225 Ca -0.07 -3.57 -0.12 0.00 -0.26 0.00 0.00 58.87 54.84 3kvr n SER 225 Cb 0.53 -0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 3kvr n SER 225 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3kvr s TYR 226 N -3.22 0.94 0.41 7.33 1.13 -1.26 -5.18 117.35 117.50 3kvr s TYR 226 Ca 0.53 -1.18 0.07 0.00 -1.41 0.00 0.00 57.07 55.08 3kvr s TYR 226 Cb 0.45 -0.23 -0.05 0.00 -1.10 0.00 0.00 41.96 41.03 3kvr s TYR 226 CO 0.08 -0.89 0.19 0.95 -2.51 0.00 0.00 175.55 173.37 3kvr s THR 227 N -3.79 2.34 0.26 -3.49 -4.23 -1.26 -4.99 115.64 100.48 3kvr s THR 227 Ca 0.32 -1.68 -0.02 0.00 -1.18 0.00 0.00 61.69 59.13 3kvr s THR 227 Cb 0.02 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 71.10 3kvr s THR 227 CO 0.14 -0.01 1.77 -0.08 -0.54 0.00 0.00 174.62 175.91 3kvr h GLU 228 N 1.41 0.64 -0.03 3.99 4.57 -1.99 0.14 114.58 123.32 3kvr h GLU 228 Ca -0.43 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 57.58 3kvr h GLU 228 Cb 1.25 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 3kvr h GLU 228 CO 0.69 0.43 -0.61 1.57 -1.18 0.00 0.00 179.01 179.91 3kvr h LYS 229 N 0.66 0.09 -0.55 1.92 2.10 -1.99 -1.47 116.57 117.34 3kvr h LYS 229 Ca 0.44 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 59.02 3kvr h LYS 229 Cb 0.57 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.88 3kvr h LYS 229 CO -0.33 0.67 0.32 -0.44 -2.00 0.00 0.00 179.45 177.67 3kvr h ASP 230 N 0.07 0.67 -0.36 7.07 3.32 -1.50 -0.35 116.42 125.34 3kvr h ASP 230 Ca -0.01 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3kvr h ASP 230 Cb 1.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 3kvr h ASP 230 CO 0.08 0.54 0.23 0.50 -1.72 0.00 0.00 179.24 178.88 3kvr h LYS 231 N 0.74 0.46 -0.69 3.56 3.64 -0.76 -2.54 116.57 120.98 3kvr h LYS 231 Ca 0.20 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3kvr h LYS 231 Cb 0.00 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3kvr h LYS 231 CO -0.04 0.30 0.37 1.96 -2.27 0.00 0.00 179.45 179.78 3kvr h GLN 232 N 0.47 0.96 -0.48 1.90 1.08 -1.06 0.12 115.11 118.09 3kvr h GLN 232 Ca 0.14 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 3kvr h GLN 232 Cb -0.03 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.19 3kvr h GLN 232 CO -0.04 0.72 0.02 -0.44 -0.95 0.00 0.00 178.83 178.14 3kvr h ASP 233 N 0.94 0.75 -0.09 1.46 3.32 -0.96 -0.95 116.42 120.90 3kvr h ASP 233 Ca 0.24 -0.17 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 3kvr h ASP 233 Cb 0.04 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.40 3kvr h ASP 233 CO -0.04 0.81 -0.52 0.22 -1.72 0.00 0.00 179.24 177.99 3kvr h TYR 234 N 0.74 0.70 -0.49 4.55 3.20 -1.01 -2.24 116.97 122.42 3kvr h TYR 234 Ca 0.15 -0.32 -0.09 0.00 3.14 0.00 0.00 58.73 61.61 3kvr h TYR 234 Cb 0.42 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3kvr h TYR 234 CO 0.02 1.10 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.53 3kvr h LEU 235 N 0.10 0.83 -1.10 2.82 3.38 -0.58 -1.73 115.31 119.02 3kvr h LEU 235 Ca -0.04 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3kvr h LEU 235 Cb 1.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3kvr h LEU 235 CO 0.11 0.92 -0.08 0.03 0.09 0.00 0.00 178.44 179.51 3kvr h ARG 236 N 0.78 0.54 -0.33 1.13 3.08 -1.17 0.26 114.38 118.67 3kvr h ARG 236 Ca 0.14 -0.14 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 3kvr h ARG 236 Cb 0.53 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3kvr h ARG 236 CO 0.03 0.62 -0.45 0.00 -1.07 0.00 0.00 179.97 179.10 3kvr h ALA 237 N 1.42 0.57 -0.42 0.04 0.00 -1.12 -1.09 119.26 118.66 3kvr h ALA 237 Ca 0.10 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.56 3kvr h ALA 237 Cb 0.45 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3kvr h ALA 237 CO 0.02 0.68 0.22 0.00 0.00 0.00 0.00 179.25 180.17 3kvr h ALA 238 N 0.79 0.52 -0.65 0.00 0.00 -0.76 -2.11 119.26 117.05 3kvr h ALA 238 Ca 0.04 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3kvr h ALA 238 Cb 1.04 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 3kvr h ALA 238 CO 0.10 -0.14 0.28 -0.92 0.00 0.00 0.00 179.25 178.58 3kvr h TYR 239 N 0.44 0.49 0.00 0.00 3.20 -0.19 -1.17 116.97 119.74 3kvr h TYR 239 Ca 0.18 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3kvr h TYR 239 Cb 0.07 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3kvr h TYR 239 CO -0.09 0.14 -0.10 0.00 -1.64 0.00 0.00 178.16 176.46 3kvr h ALA 240 N 1.43 1.13 -0.03 1.82 0.00 -0.74 -0.19 119.26 122.69 3kvr h ALA 240 Ca 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kvr h ALA 240 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kvr h ALA 240 CO -0.30 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.08 3kvr n ALA 241 N -2.21 2.57 0.00 0.00 0.00 -0.49 -4.91 120.51 115.48 3kvr n ALA 241 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3kvr n ALA 241 Cb 0.27 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3kvr n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvr n GLY 242 N 1.18 0.51 3.73 0.00 0.00 -0.08 -4.98 105.19 105.55 3kvr n GLY 242 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3kvr n GLY 242 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvr s ILE 243 N -2.00 4.05 -0.06 -0.61 1.01 -0.93 -2.13 121.20 120.52 3kvr s ILE 243 Ca 0.00 1.69 0.03 0.00 0.00 0.00 0.00 60.65 62.37 3kvr s ILE 243 Cb 0.00 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3kvr s ILE 243 CO 0.00 0.25 0.09 0.54 0.00 0.00 0.00 174.94 175.83 3kvr n ARG 244 N 2.74 2.69 -4.02 2.79 5.12 0.13 -4.16 116.66 121.95 3kvr n ARG 244 Ca 0.04 -0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.85 3kvr n ARG 244 Cb 0.47 -0.88 -0.06 0.00 -1.16 0.00 0.00 32.46 30.83 3kvr n ARG 244 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kvr s ASN 245 N -1.88 -0.04 -0.05 0.55 4.22 -1.22 0.44 114.94 116.96 3kvr s ASN 245 Ca -0.00 -1.00 0.00 0.00 -2.14 0.00 0.00 52.86 49.73 3kvr s ASN 245 Cb 0.02 0.56 0.02 0.00 1.28 0.00 0.00 41.25 43.14 3kvr s ASN 245 CO 0.12 -1.11 -0.03 -0.63 -2.04 0.00 0.00 177.10 173.42 3kvr s ILE 246 N -4.01 0.42 0.00 0.54 1.01 0.16 -1.16 121.20 118.16 3kvr s ILE 246 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.87 3kvr s ILE 246 Cb 0.00 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.99 3kvr s ILE 246 CO 0.10 0.21 0.00 -1.84 0.00 0.00 0.00 174.94 173.41 3kvr n GLU 247 N 4.25 0.00 0.00 2.79 -0.00 0.07 -1.08 120.64 126.67 3kvr n GLU 247 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.94 3kvr n GLU 247 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 3kvr n GLU 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3kvr n MET 248 N 0.00 0.18 0.00 3.44 2.81 -1.26 -0.72 117.12 121.56 3kvr n MET 248 Ca 0.00 -0.41 0.00 0.00 -1.81 0.00 0.00 57.70 55.48 3kvr n MET 248 Cb 0.00 -0.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.86 3kvr n MET 248 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3kvr n GLU 249 N -0.06 5.06 -0.11 0.03 4.71 -1.26 -2.35 120.64 126.66 3kvr n GLU 249 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.02 3kvr n GLU 249 Cb 0.27 -0.45 -0.03 0.00 -1.01 0.00 0.00 31.44 30.23 3kvr n GLU 249 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kvr h ALA 250 N 0.00 0.49 0.02 0.62 0.00 -1.93 -3.00 119.26 115.46 3kvr h ALA 250 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3kvr h ALA 250 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3kvr h ALA 250 CO 0.00 0.52 -0.43 1.03 0.00 0.00 0.00 179.25 180.37 3kvr h SER 251 N 0.57 -1.29 0.44 0.00 0.87 -1.91 0.20 113.55 112.43 3kvr h SER 251 Ca 0.06 0.15 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 3kvr h SER 251 Cb 0.87 0.50 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 3kvr h SER 251 CO 0.08 -0.47 -0.55 0.58 -0.53 0.00 0.00 176.83 175.94 3kvr h VAL 252 N -0.59 1.38 -0.07 2.23 2.07 -1.93 0.77 116.25 120.11 3kvr h VAL 252 Ca 0.04 -1.87 -0.00 0.00 0.82 0.00 0.00 66.70 65.69 3kvr h VAL 252 Cb 0.66 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3kvr h VAL 252 CO -0.31 0.54 0.04 0.15 0.02 0.00 0.00 177.57 178.02 3kvr h PHE 253 N 0.09 0.09 -0.22 1.57 3.57 -1.32 0.44 116.94 121.16 3kvr h PHE 253 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3kvr h PHE 253 Cb 1.00 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 3kvr h PHE 253 CO 0.01 0.11 0.02 0.00 -2.23 0.00 0.00 178.31 176.22 3kvr h ALA 254 N 0.97 0.30 -0.70 2.41 0.00 -0.34 -1.89 119.26 120.01 3kvr h ALA 254 Ca 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3kvr h ALA 254 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3kvr h ALA 254 CO -0.00 -0.00 0.45 0.00 0.00 0.00 0.00 179.25 179.69 3kvr h ALA 255 N 0.82 0.90 -0.05 0.00 0.00 -0.57 -0.36 119.26 119.99 3kvr h ALA 255 Ca 0.06 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 3kvr h ALA 255 Cb 0.36 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kvr h ALA 255 CO 0.01 0.26 -0.87 0.52 0.00 0.00 0.00 179.25 179.17 3kvr h MET 256 N 0.90 0.68 -0.64 0.00 2.86 -0.07 -0.14 114.93 118.52 3kvr h MET 256 Ca 0.27 -0.66 0.07 0.00 -2.06 0.00 0.00 59.70 57.32 3kvr h MET 256 Cb -0.05 0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 3kvr h MET 256 CO -0.08 1.26 0.32 0.00 1.06 0.00 0.00 176.91 179.47 3kvr h ASN 258 N 0.57 -0.52 -1.03 0.00 2.35 -0.90 0.22 115.58 116.27 3kvr h ASN 258 Ca 0.30 0.02 0.29 0.00 -0.55 0.00 0.00 56.30 56.37 3kvr h ASN 258 Cb 0.27 0.14 -0.13 0.00 0.05 0.00 0.00 38.32 38.65 3kvr h ASN 258 CO -0.23 -0.36 0.62 0.00 -1.65 0.00 0.00 177.43 175.81 3kvr h ALA 259 N -0.00 2.00 -0.71 -0.83 0.00 -0.83 -0.39 119.26 118.50 3kvr h ALA 259 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kvr h ALA 259 Cb 0.46 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kvr h ALA 259 CO 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 179.25 178.80 3kvr n GLY 261 N 1.50 -0.53 3.88 0.00 0.00 -0.16 -4.67 105.19 105.21 3kvr n GLY 261 Ca 0.25 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 3kvr n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvr s LEU 262 N -6.90 4.39 -0.03 0.99 1.43 -0.09 -5.02 118.68 113.46 3kvr s LEU 262 Ca 0.41 0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 53.71 3kvr s LEU 262 Cb -0.18 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3kvr s LEU 262 CO 0.50 0.40 0.96 -0.13 0.23 0.00 0.00 176.35 178.31 3kvr s ARG 263 N -1.04 4.52 0.03 1.70 1.81 -1.26 -4.49 118.95 120.22 3kvr s ARG 263 Ca 0.16 1.36 -0.03 0.00 -1.72 0.00 0.00 55.73 55.50 3kvr s ARG 263 Cb -0.12 -3.47 -0.02 0.00 -0.45 0.00 0.00 34.95 30.89 3kvr s ARG 263 CO 0.05 -0.09 0.03 0.00 -0.68 0.00 0.00 175.30 174.61 3kvr s ALA 264 N 1.17 0.08 0.06 2.13 0.00 -1.26 -1.95 121.76 121.98 3kvr s ALA 264 Ca 0.50 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.82 3kvr s ALA 264 Cb -0.20 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 3kvr s ALA 264 CO 0.25 -0.26 -0.05 0.00 0.00 0.00 0.00 175.76 175.70 3kvr s ALA 265 N -2.34 0.57 -0.14 0.00 0.00 -0.63 -3.94 121.76 115.29 3kvr s ALA 265 Ca -0.08 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.85 3kvr s ALA 265 Cb -0.03 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.27 3kvr s ALA 265 CO -0.04 -0.23 -0.20 0.08 0.00 0.00 0.00 175.76 175.36 3kvr s VAL 266 N -2.94 2.21 -0.21 0.00 1.01 -1.26 -1.45 120.40 117.77 3kvr s VAL 266 Ca 0.01 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 3kvr s VAL 266 Cb 0.01 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.55 3kvr s VAL 266 CO -0.05 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 174.86 3kvr s VAL 267 N 0.77 1.26 -0.02 2.92 1.01 0.30 -2.01 120.40 124.63 3kvr s VAL 267 Ca -0.08 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.05 3kvr s VAL 267 Cb -0.16 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3kvr s VAL 267 CO -0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 175.10 174.84 3kvr s VAL 269 N -0.53 3.99 -0.22 0.00 0.11 -0.09 -0.60 120.40 123.05 3kvr s VAL 269 Ca 0.09 0.31 -0.04 0.00 -2.93 0.00 0.00 61.98 59.41 3kvr s VAL 269 Cb -0.09 -3.60 -0.00 0.00 -1.53 0.00 0.00 36.38 31.16 3kvr s VAL 269 CO -0.01 -0.69 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.14 3kvr s THR 270 N -3.08 3.32 -0.85 5.04 2.01 -0.23 -0.96 115.64 120.89 3kvr s THR 270 Ca 0.54 -0.55 0.25 0.00 0.31 0.00 0.00 61.69 62.24 3kvr s THR 270 Cb -0.11 -2.53 0.07 0.00 0.01 0.00 0.00 72.50 69.95 3kvr s THR 270 CO 0.48 0.40 1.47 0.18 -0.69 0.00 0.00 174.62 176.46 3kvr n LEU 271 N 4.79 0.52 -3.59 4.42 4.77 0.29 -0.95 117.00 127.24 3kvr n LEU 271 Ca -0.18 0.19 0.02 0.00 -0.03 0.00 0.00 56.01 56.02 3kvr n LEU 271 Cb 0.50 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3kvr n LEU 271 CO 0.29 0.02 1.14 -1.48 -1.33 0.00 0.00 177.39 176.03 3kvr s LEU 272 N -3.56 -0.03 -0.36 2.23 2.34 -1.26 -4.77 118.68 113.27 3kvr s LEU 272 Ca 0.10 -0.06 -0.15 0.00 0.06 0.00 0.00 54.13 54.08 3kvr s LEU 272 Cb 0.16 1.19 -0.00 0.00 -0.56 0.00 0.00 46.19 46.97 3kvr s LEU 272 CO 0.68 -0.14 0.34 0.21 -1.06 0.00 0.00 176.35 176.37 3kvr s ASN 273 N -2.90 6.15 0.54 1.48 2.47 -1.26 -0.76 114.94 120.66 3kvr s ASN 273 Ca 0.14 -0.42 0.36 0.00 0.42 0.00 0.00 52.86 53.36 3kvr s ASN 273 Cb 0.06 -2.18 1.71 0.00 -1.45 0.00 0.00 41.25 39.38 3kvr s ASN 273 CO -0.05 -0.36 2.07 0.03 -3.72 0.00 0.00 177.10 175.06 3kvr h ARG 274 N 8.53 0.00 0.00 0.43 2.47 -0.70 -0.31 114.38 124.80 3kvr h ARG 274 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 3kvr h ARG 274 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 3kvr h ARG 274 CO 0.70 0.00 0.00 1.28 0.56 0.00 0.00 179.97 182.51 3kvr n LEU 275 N -2.91 0.00 0.00 3.04 4.77 -1.26 -2.95 117.00 117.69 3kvr n LEU 275 Ca -0.01 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3kvr n LEU 275 Cb 0.18 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3kvr n LEU 275 CO 0.22 -0.18 0.09 -0.62 -1.33 0.00 0.00 177.39 175.57 3kvr n GLU 276 N -1.34 3.96 0.00 3.23 1.02 -0.14 -5.09 120.64 122.28 3kvr n GLU 276 Ca 0.06 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 3kvr n GLU 276 Cb 0.12 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 3kvr n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kvr n GLY 277 N 0.62 1.22 0.02 0.62 0.00 -1.15 -5.03 105.19 101.49 3kvr n GLY 277 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 3kvr n GLY 277 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kvr n ASP 278 N 0.00 4.10 -4.81 1.61 8.00 -1.26 -4.25 116.55 119.93 3kvr n ASP 278 Ca 0.00 -0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 3kvr n ASP 278 Cb 0.00 0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 3kvr n ASP 278 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3kvr s GLN 279 N -2.09 4.07 -0.84 -1.24 -1.52 -1.26 -5.02 119.66 111.77 3kvr s GLN 279 Ca -0.02 0.54 -0.19 0.00 -1.95 0.00 0.00 55.36 53.74 3kvr s GLN 279 Cb 0.01 -3.25 0.13 0.00 -0.22 0.00 0.00 33.01 29.68 3kvr s GLN 279 CO 0.15 0.61 1.02 0.42 -0.25 0.00 0.00 175.29 177.24 3kvr s ILE 280 N -0.90 4.76 -1.15 1.08 -1.09 -1.26 -4.83 121.20 117.81 3kvr s ILE 280 Ca 0.26 -1.41 0.10 0.00 -2.23 0.00 0.00 60.65 57.37 3kvr s ILE 280 Cb -0.18 -4.70 0.15 0.00 -1.58 0.00 0.00 42.46 36.16 3kvr s ILE 280 CO 0.15 -1.41 0.97 -1.54 -1.23 0.00 0.00 174.94 171.88 3kvr n SER 281 N 6.45 2.21 -4.49 3.58 3.41 -1.26 -4.99 113.62 118.52 3kvr n SER 281 Ca 0.15 -1.63 -0.44 0.00 -0.26 0.00 0.00 58.87 56.69 3kvr n SER 281 Cb 0.48 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 3kvr n SER 281 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3kvr n SER 282 N 0.54 -0.19 -4.60 4.04 7.64 -1.26 -4.92 113.62 114.87 3kvr n SER 282 Ca 0.08 1.05 -0.35 0.00 1.01 0.00 0.00 58.87 60.65 3kvr n SER 282 Cb 0.31 -1.14 0.09 0.00 -1.01 0.00 0.00 64.21 62.46 3kvr n SER 282 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3kvr n PRO 283 N 0.72 0.42 0.30 1.43 -0.02 -1.26 -4.75 135.00 131.84 3kvr n PRO 283 Ca 0.12 0.20 0.19 0.00 -2.02 0.00 0.00 63.50 61.99 3kvr n PRO 283 Cb 0.34 -2.20 0.94 0.00 -0.02 0.00 0.00 33.50 32.56 3kvr n PRO 283 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kvr h HIS 284 N -0.39 0.00 0.03 6.00 -0.00 -1.99 -2.20 115.15 116.59 3kvr h HIS 284 Ca -0.47 0.00 -0.22 0.00 -0.00 0.00 0.00 60.37 59.68 3kvr h HIS 284 Cb 1.33 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 28.76 3kvr h HIS 284 CO 0.40 0.02 -0.89 -0.44 -0.00 0.00 0.00 177.93 177.03 3kvr h ASP 285 N 0.00 0.74 -0.31 3.26 3.32 -2.00 -1.89 116.42 119.54 3kvr h ASP 285 Ca -0.00 -0.77 -0.09 0.00 0.02 0.00 0.00 57.03 56.19 3kvr h ASP 285 Cb 0.25 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3kvr h ASP 285 CO 0.00 1.42 -0.17 0.58 -1.72 0.00 0.00 179.24 179.35 3kvr h VAL 286 N 0.14 1.29 -0.47 -1.35 2.07 -1.82 -2.32 116.25 113.80 3kvr h VAL 286 Ca -0.12 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3kvr h VAL 286 Cb 1.58 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 3kvr h VAL 286 CO 0.17 0.41 0.29 -0.07 0.02 0.00 0.00 177.57 178.40 3kvr h LEU 287 N 0.41 0.55 -0.10 2.57 3.38 -1.35 -0.68 115.31 120.08 3kvr h LEU 287 Ca 0.07 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3kvr h LEU 287 Cb 0.70 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kvr h LEU 287 CO 0.05 0.41 -0.19 0.00 0.09 0.00 0.00 178.44 178.80 3kvr h ALA 288 N 1.68 0.16 -0.51 1.53 0.00 -1.18 -2.56 119.26 118.38 3kvr h ALA 288 Ca 0.17 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.80 3kvr h ALA 288 Cb -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 3kvr h ALA 288 CO -0.03 0.10 0.09 1.49 0.00 0.00 0.00 179.25 180.89 3kvr h GLU 289 N -0.13 0.21 -0.87 0.00 4.22 -1.13 -1.38 114.58 115.51 3kvr h GLU 289 Ca 0.01 -0.01 0.20 0.00 0.08 0.00 0.00 59.36 59.63 3kvr h GLU 289 Cb 0.77 -0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.86 3kvr h GLU 289 CO 0.04 0.14 0.39 1.88 -2.18 0.00 0.00 179.01 179.28 3kvr h TYR 290 N 0.22 0.65 0.00 0.92 0.99 -1.04 0.90 116.97 119.61 3kvr h TYR 290 Ca 0.26 0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.99 3kvr h TYR 290 Cb 0.35 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 37.93 3kvr h TYR 290 CO -0.24 0.01 -0.18 1.96 -0.00 0.00 0.00 178.16 179.71 3kvr h GLN 291 N 0.44 0.00 0.00 4.88 7.50 -0.84 -2.54 115.11 124.56 3kvr h GLN 291 Ca 0.52 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.67 3kvr h GLN 291 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.46 3kvr h GLN 291 CO -0.49 0.18 0.00 1.96 -1.50 0.00 0.00 178.83 178.98 3kvr h GLN 292 N 0.00 0.00 0.63 1.46 4.20 -0.41 -3.36 115.11 117.63 3kvr h GLN 292 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3kvr h GLN 292 Cb 0.37 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.16 3kvr h GLN 292 CO 0.02 0.00 -0.30 0.00 -0.67 0.00 0.00 178.83 177.88 3kvr h ARG 293 N 0.00 -0.82 0.00 1.46 3.08 -1.25 -0.05 114.38 116.80 3kvr h ARG 293 Ca 0.00 0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3kvr h ARG 293 Cb 0.73 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 3kvr h ARG 293 CO 0.00 -0.52 -0.15 -1.35 -1.07 0.00 0.00 179.97 176.88 3kvr h PRO 294 N -0.91 0.00 -0.36 0.04 0.11 -1.75 -0.18 132.00 128.96 3kvr h PRO 294 Ca -0.09 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 3kvr h PRO 294 Cb 0.67 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 3kvr h PRO 294 CO 0.14 0.15 -0.11 1.96 -0.21 0.00 0.00 178.00 179.93 3kvr h GLN 295 N 0.00 0.61 -0.15 1.05 4.20 -1.58 -0.61 115.11 118.63 3kvr h GLN 295 Ca -0.00 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 3kvr h GLN 295 Cb 0.33 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 3kvr h GLN 295 CO 0.02 0.71 -0.18 0.00 -0.67 0.00 0.00 178.83 178.71 3kvr h ARG 296 N 0.56 0.38 -0.11 1.46 3.08 0.62 0.06 114.38 120.43 3kvr h ARG 296 Ca 0.10 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.96 3kvr h ARG 296 Cb 0.52 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3kvr h ARG 296 CO 0.03 0.78 -0.04 1.25 -1.07 0.00 0.00 179.97 180.92 3kvr h LEU 297 N 0.00 -0.14 -1.24 3.04 5.85 -0.96 -0.32 115.31 121.56 3kvr h LEU 297 Ca 0.02 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 3kvr h LEU 297 Cb 0.73 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3kvr h LEU 297 CO 0.04 -0.05 -0.37 0.58 -0.34 0.00 0.00 178.44 178.30 3kvr h VAL 298 N -0.02 1.17 -0.36 1.05 2.07 -1.06 -1.17 116.25 117.93 3kvr h VAL 298 Ca 0.06 -1.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 3kvr h VAL 298 Cb 0.11 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3kvr h VAL 298 CO -0.13 0.36 -0.10 1.23 0.02 0.00 0.00 177.57 178.95 3kvr h GLY 299 N 1.27 0.67 0.73 2.17 0.00 -0.01 0.01 103.07 107.92 3kvr h GLY 299 Ca -0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3kvr h GLY 299 CO 0.05 0.44 -0.03 -1.61 0.00 0.00 0.00 176.54 175.38 3kvr h GLN 300 N 0.57 0.24 -0.45 4.80 5.75 0.02 -0.31 115.11 125.73 3kvr h GLN 300 Ca 0.10 -0.09 0.05 0.00 -0.15 0.00 0.00 58.65 58.57 3kvr h GLN 300 Cb 0.51 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.00 3kvr h GLN 300 CO 0.03 0.54 0.17 0.35 -2.65 0.00 0.00 178.83 177.27 3kvr h PHE 301 N -0.08 0.30 -0.29 3.99 3.04 -0.89 -1.00 116.94 122.00 3kvr h PHE 301 Ca 0.03 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.01 3kvr h PHE 301 Cb 0.46 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 3kvr h PHE 301 CO 0.05 0.12 0.19 0.82 -2.02 0.00 0.00 178.31 177.47 3kvr h ILE 302 N 0.35 1.07 -0.98 1.41 2.04 -0.93 -2.13 117.51 118.34 3kvr h ILE 302 Ca 0.21 -0.13 0.14 0.00 1.00 0.00 0.00 64.86 66.08 3kvr h ILE 302 Cb 0.19 0.64 -0.09 0.00 -0.74 0.00 0.00 36.82 36.83 3kvr h ILE 302 CO -0.20 0.07 0.62 0.50 0.00 0.00 0.00 178.15 179.14 3kvr h LYS 303 N 0.39 0.84 0.09 2.37 3.64 -0.38 -1.60 116.57 121.91 3kvr h LYS 303 Ca 0.11 -0.05 -0.28 0.00 -1.27 0.00 0.00 60.65 59.16 3kvr h LYS 303 Cb -0.04 -0.19 0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3kvr h LYS 303 CO -0.03 0.56 -1.16 0.87 -2.27 0.00 0.00 179.45 177.42 3kvr h LYS 304 N 0.87 0.52 0.00 1.90 1.57 -1.00 -1.13 116.57 119.30 3kvr h LYS 304 Ca 0.51 -0.67 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 3kvr h LYS 304 Cb 0.65 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 3kvr h LYS 304 CO -0.28 1.28 -0.15 0.00 -0.57 0.00 0.00 179.45 179.73 3kvr h ARG 305 N 0.24 0.00 0.11 3.15 2.47 -0.89 -2.90 114.38 116.56 3kvr h ARG 305 Ca -0.15 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.27 3kvr h ARG 305 Cb 1.83 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.14 3kvr h ARG 305 CO 0.21 0.15 -1.53 -0.07 0.56 0.00 0.00 179.97 179.30 3kvr h LEU 306 N 0.00 0.38 0.00 3.04 3.38 -1.15 -3.22 115.31 117.74 3kvr h LEU 306 Ca -0.00 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3kvr h LEU 306 Cb 0.29 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kvr h LEU 306 CO 0.02 1.44 0.00 0.23 0.09 0.00 0.00 178.44 180.22 3kvr n MET 307 N -3.44 0.49 -2.86 1.13 2.81 -0.44 -4.82 117.12 109.98 3kvr n MET 307 Ca -0.16 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.55 3kvr n MET 307 Cb 1.04 -1.31 0.04 0.00 -0.71 0.00 0.00 33.22 32.28 3kvr n MET 307 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3kvr n GLN 308 N -0.81 0.72 0.00 0.03 6.02 -1.11 -5.07 117.38 117.17 3kvr n GLN 308 Ca 0.07 -2.64 0.04 0.00 -0.01 0.00 0.00 57.00 54.46 3kvr n GLN 308 Cb 0.03 -0.05 0.21 0.00 1.02 0.00 0.00 30.24 31.46 3kvr n GLN 308 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05