#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqd s VAL 17 N 0.00 5.28 0.00 1.39 1.01 0.84 -4.02 120.40 124.91 3kqd s VAL 17 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3kqd s VAL 17 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3kqd s VAL 17 CO 0.00 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3kqd n GLY 18 N 4.23 0.49 7.00 4.51 0.00 -1.26 -2.12 105.19 118.04 3kqd n GLY 18 Ca -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3kqd n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqd n GLY 19 N 0.00 -0.99 3.57 -0.02 0.00 -1.26 -4.89 105.19 101.59 3kqd n GLY 19 Ca 0.00 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 3kqd n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kqd s GLN 20 N 0.00 1.98 0.54 1.61 1.11 0.01 -4.95 119.66 119.96 3kqd s GLN 20 Ca 0.00 -1.66 -0.17 0.00 0.01 0.00 0.00 55.36 53.54 3kqd s GLN 20 Cb 0.00 -1.93 -0.06 0.00 -1.01 0.00 0.00 33.01 30.01 3kqd s GLN 20 CO 0.00 0.28 1.02 -2.00 0.01 0.00 0.00 175.29 174.60 3kqd s GLU 21 N -3.62 3.68 -0.32 2.91 2.12 -1.26 0.34 118.70 122.56 3kqd s GLU 21 Ca 0.32 1.12 -0.24 0.00 0.36 0.00 0.00 54.97 56.53 3kqd s GLU 21 Cb -0.04 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.26 3kqd s GLU 21 CO 0.18 -0.50 0.80 0.00 -0.54 0.00 0.00 175.26 175.19 3kqd s LYS 23 N 3.00 0.53 -0.16 0.00 -0.14 -1.26 -4.89 119.74 116.82 3kqd s LYS 23 Ca 0.33 -0.31 -0.35 0.00 -1.36 0.00 0.00 55.97 54.28 3kqd s LYS 23 Cb -0.14 -1.82 -0.12 0.00 -1.68 0.00 0.00 37.83 34.07 3kqd s LYS 23 CO 0.13 -2.50 1.91 -3.47 -0.76 0.00 0.00 175.35 170.66 3kqd n ASP 24 N -3.85 3.11 -0.27 2.83 4.64 -1.26 -1.85 116.55 119.89 3kqd n ASP 24 Ca 0.14 0.90 -0.04 0.00 -1.38 0.00 0.00 54.79 54.42 3kqd n ASP 24 Cb 0.60 -1.32 -0.02 0.00 -1.04 0.00 0.00 41.12 39.34 3kqd n ASP 24 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kqd n GLY 25 N 4.66 0.61 0.09 0.27 0.00 -1.26 -4.93 105.19 104.63 3kqd n GLY 25 Ca 0.26 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3kqd n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kqd h GLU 26 N 0.34 0.14 -2.12 1.61 5.08 -1.71 -3.39 114.58 114.53 3kqd h GLU 26 Ca -0.07 -0.25 -0.54 0.00 -1.00 0.00 0.00 59.36 57.50 3kqd h GLU 26 Cb 0.46 0.09 -0.41 0.00 0.50 0.00 0.00 28.75 29.39 3kqd h GLU 26 CO 0.11 1.04 -0.86 0.00 -1.00 0.00 0.00 179.01 178.30 3kqd h PRO 28 N 2.97 0.00 -0.01 0.00 0.13 -1.77 -2.93 132.00 130.39 3kqd h PRO 28 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3kqd h PRO 28 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3kqd h PRO 28 CO 0.70 0.05 0.00 -2.67 -0.23 0.00 0.00 178.00 175.85 3kqd n TRP 29 N -3.20 0.01 -2.49 1.56 2.14 -1.05 -2.45 117.44 111.95 3kqd n TRP 29 Ca -0.00 -0.01 -0.41 0.00 2.07 0.00 0.00 57.50 59.15 3kqd n TRP 29 Cb 0.28 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.74 3kqd n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3kqd s GLN 30 N -1.99 4.57 0.15 -2.67 2.00 -1.11 -0.41 119.66 120.20 3kqd s GLN 30 Ca 0.42 1.73 0.10 0.00 -2.00 0.00 0.00 55.36 55.62 3kqd s GLN 30 Cb 0.20 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.69 3kqd s GLN 30 CO 0.34 0.03 -0.23 0.00 -0.50 0.00 0.00 175.29 174.93 3kqd s ALA 31 N -0.11 2.21 -0.11 1.58 0.00 0.41 -4.44 121.76 121.30 3kqd s ALA 31 Ca 0.50 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3kqd s ALA 31 Cb -0.30 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.55 3kqd s ALA 31 CO 0.35 0.40 -0.12 -1.17 0.00 0.00 0.00 175.76 175.21 3kqd s LEU 32 N -2.34 1.55 -0.16 0.00 2.96 -0.50 -1.38 118.68 118.81 3kqd s LEU 32 Ca 0.15 -0.38 -0.23 0.00 -0.22 0.00 0.00 54.13 53.44 3kqd s LEU 32 Cb -0.08 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 3kqd s LEU 32 CO 0.07 -0.03 0.72 -0.76 -1.32 0.00 0.00 176.35 175.03 3kqd s LEU 33 N 1.22 4.19 -0.11 -0.68 1.43 0.18 -0.51 118.68 124.40 3kqd s LEU 33 Ca -0.03 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 3kqd s LEU 33 Cb -0.14 -3.06 0.01 0.00 0.03 0.00 0.00 46.19 43.03 3kqd s LEU 33 CO -0.04 -0.29 -0.19 0.27 0.23 0.00 0.00 176.35 176.33 3kqd s ILE 34 N 1.76 1.76 0.46 -0.59 -4.36 -0.80 -0.80 121.20 118.64 3kqd s ILE 34 Ca 0.34 -0.82 -0.08 0.00 -0.26 0.00 0.00 60.65 59.83 3kqd s ILE 34 Cb -0.16 -1.57 0.11 0.00 1.25 0.00 0.00 42.46 42.09 3kqd s ILE 34 CO 0.13 0.49 0.49 -0.46 0.24 0.00 0.00 174.94 175.83 3kqd n ASN 35 N 3.90 -0.85 -0.26 4.36 0.23 -0.87 -1.05 115.26 120.72 3kqd n ASN 35 Ca -0.20 -0.94 0.01 0.00 -0.53 0.00 0.00 54.58 52.91 3kqd n ASN 35 Cb 0.52 -0.41 0.22 0.00 -2.08 0.00 0.00 39.78 38.03 3kqd n ASN 35 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3kqd h GLU 36 N 0.00 1.05 -0.17 -3.83 9.09 -1.91 -1.92 114.58 116.89 3kqd h GLU 36 Ca -0.17 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.18 3kqd h GLU 36 Cb 0.50 -0.24 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 3kqd h GLU 36 CO 0.12 0.70 0.00 0.39 0.05 0.00 0.00 179.01 180.26 3kqd n GLU 37 N -4.42 0.67 -2.07 1.06 1.02 -1.26 -4.85 120.64 110.79 3kqd n GLU 37 Ca 0.09 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.04 3kqd n GLU 37 Cb 0.05 -1.09 -0.04 0.00 -0.02 0.00 0.00 31.44 30.34 3kqd n GLU 37 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kqd n ASN 38 N -0.33 -5.32 -4.49 1.62 5.15 -0.72 -5.00 115.26 106.17 3kqd n ASN 38 Ca 0.00 0.20 -0.34 0.00 -0.60 0.00 0.00 54.58 53.85 3kqd n ASN 38 Cb 0.04 -4.55 -0.12 0.00 -0.53 0.00 0.00 39.78 34.62 3kqd n ASN 38 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3kqd s GLU 39 N -4.48 3.34 0.05 1.20 -1.05 -1.26 -4.86 118.70 111.64 3kqd s GLU 39 Ca 0.00 -0.57 -0.30 0.00 -0.15 0.00 0.00 54.97 53.95 3kqd s GLU 39 Cb 0.00 -2.75 -0.08 0.00 -0.44 0.00 0.00 34.13 30.86 3kqd s GLU 39 CO 0.00 0.36 1.68 0.20 0.95 0.00 0.00 175.26 178.45 3kqd s GLY 40 N 0.02 1.54 -0.02 -3.83 0.00 -1.26 -2.05 107.32 101.72 3kqd s GLY 40 Ca -0.01 1.19 0.02 0.00 0.00 0.00 0.00 44.72 45.92 3kqd s GLY 40 CO 0.03 2.96 0.01 1.97 0.00 0.00 0.00 173.10 178.07 3kqd n PHE 41 N 5.93 0.00 -3.91 1.90 1.16 0.02 -4.98 117.46 117.59 3kqd n PHE 41 Ca 0.16 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.66 3kqd n PHE 41 Cb 0.41 -0.08 -0.08 0.00 -1.61 0.00 0.00 39.48 38.11 3kqd n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3kqd n GLY 43 N -0.02 1.37 3.63 0.00 0.00 0.21 0.48 105.19 110.87 3kqd n GLY 43 Ca -0.15 -2.12 -0.07 0.00 0.00 0.00 0.00 46.02 43.68 3kqd n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kqd s GLY 44 N -4.36 -0.35 -0.07 -0.02 0.00 -0.48 -3.51 107.32 98.53 3kqd s GLY 44 Ca 0.52 0.42 0.05 0.00 0.00 0.00 0.00 44.72 45.70 3kqd s GLY 44 CO 0.34 0.13 -0.22 -1.59 0.00 0.00 0.00 173.10 171.75 3kqd s THR 45 N -3.39 2.32 -0.25 0.90 2.01 0.09 -0.44 115.64 116.87 3kqd s THR 45 Ca 0.08 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 60.83 3kqd s THR 45 Cb -0.02 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.63 3kqd s THR 45 CO -0.03 0.56 1.09 -0.63 -0.69 0.00 0.00 174.62 174.92 3kqd s ILE 46 N -0.09 4.56 -0.14 1.82 1.01 0.45 -0.66 121.20 128.15 3kqd s ILE 46 Ca -0.05 1.86 0.05 0.00 0.00 0.00 0.00 60.65 62.51 3kqd s ILE 46 Cb -0.14 -4.30 -0.23 0.00 0.01 0.00 0.00 42.46 37.80 3kqd s ILE 46 CO 0.04 -0.27 0.28 0.18 0.00 0.00 0.00 174.94 175.17 3kqd n LEU 47 N 6.57 1.68 0.00 2.97 4.77 -0.83 -0.25 117.00 131.91 3kqd n LEU 47 Ca 0.12 0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 56.21 3kqd n LEU 47 Cb 0.46 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3kqd n LEU 47 CO 0.55 0.67 0.60 -1.54 -1.33 0.00 0.00 177.39 176.33 3kqd n SER 48 N -3.17 -1.87 -0.24 -1.43 3.41 -1.22 -4.58 113.62 104.52 3kqd n SER 48 Ca -0.30 -2.18 0.12 0.00 -0.26 0.00 0.00 58.87 56.25 3kqd n SER 48 Cb 1.06 3.09 0.40 0.00 -0.26 0.00 0.00 64.21 68.49 3kqd n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3kqd h GLU 49 N 0.00 0.64 0.00 4.33 4.11 -1.97 -3.07 114.58 118.61 3kqd h GLU 49 Ca -0.28 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.11 3kqd h GLU 49 Cb 1.11 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3kqd h GLU 49 CO 0.36 0.42 -1.19 1.19 0.07 0.00 0.00 179.01 179.86 3kqd n PHE 50 N -4.53 0.00 -5.18 2.06 3.72 -1.26 -0.59 117.46 111.68 3kqd n PHE 50 Ca 0.16 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.24 3kqd n PHE 50 Cb 0.44 -0.12 -0.16 0.00 -0.94 0.00 0.00 39.48 38.71 3kqd n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3kqd s TYR 51 N -3.01 2.48 -0.08 1.38 2.02 -1.16 -0.34 117.35 118.64 3kqd s TYR 51 Ca 0.04 -0.55 0.05 0.00 -0.37 0.00 0.00 57.07 56.23 3kqd s TYR 51 Cb 0.14 -1.60 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 3kqd s TYR 51 CO 0.82 -0.10 -0.23 0.42 -1.57 0.00 0.00 175.55 174.89 3kqd s ILE 52 N -0.34 2.23 -0.22 2.71 -1.09 0.20 -1.97 121.20 122.72 3kqd s ILE 52 Ca 0.02 -0.98 -0.12 0.00 -2.23 0.00 0.00 60.65 57.34 3kqd s ILE 52 Cb -0.12 -1.84 -0.05 0.00 -1.58 0.00 0.00 42.46 38.87 3kqd s ILE 52 CO 0.02 0.56 0.21 -0.22 -1.23 0.00 0.00 174.94 174.28 3kqd s LEU 53 N 0.02 4.14 0.00 2.97 2.96 0.16 0.03 118.68 128.97 3kqd s LEU 53 Ca -0.08 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 3kqd s LEU 53 Cb -0.15 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 3kqd s LEU 53 CO 0.05 0.05 0.28 1.07 -1.32 0.00 0.00 176.35 176.48 3kqd n THR 54 N 4.16 0.00 -3.23 3.68 5.66 0.08 -0.73 114.28 123.90 3kqd n THR 54 Ca -0.14 -2.13 -0.37 0.00 -3.05 0.00 0.00 64.05 58.36 3kqd n THR 54 Cb 0.52 1.09 -0.06 0.00 -1.55 0.00 0.00 70.33 70.33 3kqd n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kqd s ALA 55 N -3.16 3.53 0.13 1.79 0.00 -1.26 -0.54 121.76 122.25 3kqd s ALA 55 Ca 0.35 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 3kqd s ALA 55 Cb 0.01 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 3kqd s ALA 55 CO 0.25 0.39 1.73 0.00 0.00 0.00 0.00 175.76 178.12 3kqd h ALA 56 N 3.92 0.43 -0.27 0.00 0.00 -1.73 -3.08 119.26 118.53 3kqd h ALA 56 Ca -0.49 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.42 3kqd h ALA 56 Cb 1.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3kqd h ALA 56 CO 0.65 -0.03 0.26 1.12 0.00 0.00 0.00 179.25 181.24 3kqd h HIS 57 N 0.42 0.00 -0.07 0.00 2.07 -1.93 -1.21 115.15 114.42 3kqd h HIS 57 Ca 0.12 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.66 3kqd h HIS 57 Cb 0.07 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.05 3kqd h HIS 57 CO -0.03 0.00 0.05 0.00 -3.07 0.00 0.00 177.93 174.89 3kqd h LEU 59 N 0.00 0.00 0.00 0.00 3.38 -1.39 -2.34 115.31 114.96 3kqd h LEU 59 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3kqd h LEU 59 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3kqd h LEU 59 CO -0.00 0.00 -1.19 -1.22 0.09 0.00 0.00 178.44 176.12 3kqd n TYR 60 N -2.73 0.97 0.49 1.13 4.02 -0.91 -4.22 117.16 115.91 3kqd n TYR 60 Ca -0.01 0.30 0.07 0.00 -0.01 0.00 0.00 57.90 58.25 3kqd n TYR 60 Cb 0.15 -1.01 0.30 0.00 -0.02 0.00 0.00 39.34 38.75 3kqd n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3kqd n GLN 61 N -2.77 0.01 -3.63 -0.72 1.13 -0.88 -4.75 117.38 105.77 3kqd n GLN 61 Ca -0.04 0.26 -0.13 0.00 -1.94 0.00 0.00 57.00 55.14 3kqd n GLN 61 Cb 0.68 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.46 3kqd n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kqd s ALA 61 N -2.97 -1.78 0.03 -1.58 0.00 -1.26 -5.05 121.76 109.14 3kqd s ALA 61 Ca 0.07 2.06 -0.28 0.00 0.00 0.00 0.00 51.96 53.81 3kqd s ALA 61 Cb 0.09 -1.20 -0.16 0.00 0.00 0.00 0.00 23.12 21.85 3kqd s ALA 61 CO 0.25 -0.34 1.29 0.87 0.00 0.00 0.00 175.76 177.83 3kqd h LYS 62 N 5.19 -0.69 -5.17 0.00 1.57 -1.85 -3.44 116.57 112.17 3kqd h LYS 62 Ca -0.29 0.05 -0.59 0.00 -1.87 0.00 0.00 60.65 57.94 3kqd h LYS 62 Cb 1.17 0.16 -0.32 0.00 0.08 0.00 0.00 32.23 33.31 3kqd h LYS 62 CO 0.06 -0.39 -0.85 0.50 -0.57 0.00 0.00 179.45 178.21 3kqd s ARG 63 N -5.03 2.18 0.03 3.15 3.52 -1.26 -5.11 118.95 116.43 3kqd s ARG 63 Ca -0.15 -0.66 -0.00 0.00 -0.13 0.00 0.00 55.73 54.79 3kqd s ARG 63 Cb 0.02 -1.77 -0.03 0.00 -1.56 0.00 0.00 34.95 31.61 3kqd s ARG 63 CO 0.52 0.18 -0.03 -0.59 -0.81 0.00 0.00 175.30 174.57 3kqd s PHE 64 N 0.27 0.39 0.44 5.12 -0.12 -1.26 -3.45 117.98 119.38 3kqd s PHE 64 Ca -0.11 -0.77 0.06 0.00 -0.05 0.00 0.00 56.93 56.07 3kqd s PHE 64 Cb -0.15 -0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 41.92 3kqd s PHE 64 CO 0.05 -0.27 0.20 0.15 -0.05 0.00 0.00 175.22 175.29 3kqd s LYS 65 N -2.56 2.23 -0.18 1.99 1.02 -0.22 -4.53 119.74 117.50 3kqd s LYS 65 Ca -0.06 -1.93 0.01 0.00 0.02 0.00 0.00 55.97 54.02 3kqd s LYS 65 Cb -0.02 -1.95 0.02 0.00 -0.52 0.00 0.00 37.83 35.36 3kqd s LYS 65 CO -0.05 -0.22 -0.20 0.08 -0.92 0.00 0.00 175.35 174.05 3kqd s VAL 66 N -2.65 2.06 -0.16 3.17 1.01 0.12 -1.89 120.40 122.04 3kqd s VAL 66 Ca 0.37 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 3kqd s VAL 66 Cb 0.03 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3kqd s VAL 66 CO 0.20 0.54 0.10 -0.60 0.00 0.00 0.00 175.10 175.34 3kqd s ARG 67 N 1.27 3.83 0.18 2.72 3.52 0.33 -0.42 118.95 130.38 3kqd s ARG 67 Ca 0.04 -0.26 0.07 0.00 -0.13 0.00 0.00 55.73 55.45 3kqd s ARG 67 Cb -0.13 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 3kqd s ARG 67 CO -0.12 0.44 -0.13 0.14 -0.81 0.00 0.00 175.30 174.81 3kqd s VAL 68 N -0.08 1.53 -0.63 7.11 -7.23 -0.27 -1.41 120.40 119.43 3kqd s VAL 68 Ca 0.08 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 3kqd s VAL 68 Cb -0.12 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.90 3kqd s VAL 68 CO 0.00 -0.60 0.00 0.61 -0.31 0.00 0.00 175.10 174.80 3kqd n GLY 69 N -0.19 0.73 3.82 2.32 0.00 -1.25 -1.40 105.19 109.22 3kqd n GLY 69 Ca -0.10 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 3kqd n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kqd s ASP 70 N -2.39 6.68 0.00 1.61 2.15 -1.26 -4.08 116.67 119.38 3kqd s ASP 70 Ca 0.00 0.80 0.00 0.00 0.43 0.00 0.00 52.55 53.78 3kqd s ASP 70 Cb 0.00 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 3kqd s ASP 70 CO 0.00 0.29 0.00 0.54 -0.17 0.00 0.00 175.17 175.83 3kqd n ARG 71 N 2.22 3.31 -3.74 4.34 1.74 -1.26 -4.92 116.66 118.36 3kqd n ARG 71 Ca -0.14 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.68 3kqd n ARG 71 Cb 0.53 -0.62 -0.17 0.00 -1.02 0.00 0.00 32.46 31.18 3kqd n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3kqd s ASN 72 N -0.83 2.40 0.09 0.55 2.47 -1.26 -0.98 114.94 117.38 3kqd s ASN 72 Ca 0.00 -0.54 -0.18 0.00 0.42 0.00 0.00 52.86 52.55 3kqd s ASN 72 Cb 0.00 -0.51 -0.07 0.00 -1.45 0.00 0.00 41.25 39.22 3kqd s ASN 72 CO 0.00 -0.27 1.55 0.71 -3.72 0.00 0.00 177.10 175.37 3kqd h THR 73 N 6.44 1.24 0.00 -5.21 1.35 -0.81 -3.24 112.91 112.69 3kqd h THR 73 Ca -0.17 -0.84 -0.02 0.00 -0.55 0.00 0.00 66.41 64.83 3kqd h THR 73 Cb 1.12 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3kqd h THR 73 CO 0.31 0.27 -0.09 1.05 -0.25 0.00 0.00 175.52 176.80 3kqd h GLU 74 N 0.26 0.00 -5.21 4.72 4.11 -1.98 -3.42 114.58 113.06 3kqd h GLU 74 Ca 0.08 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.84 3kqd h GLU 74 Cb 0.37 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 29.29 3kqd h GLU 74 CO 0.01 0.09 -0.86 -0.65 0.07 0.00 0.00 179.01 177.67 3kqd s GLN 75 N -4.37 3.07 0.12 1.06 -1.52 -1.22 -5.11 119.66 111.68 3kqd s GLN 75 Ca -0.04 -0.83 -0.31 0.00 -1.95 0.00 0.00 55.36 52.23 3kqd s GLN 75 Cb 0.14 -2.47 -0.08 0.00 -0.22 0.00 0.00 33.01 30.38 3kqd s GLN 75 CO 0.59 0.01 1.47 -1.21 -0.25 0.00 0.00 175.29 175.89 3kqd s GLU 76 N 0.77 4.27 0.00 2.91 2.02 -1.26 -4.67 118.70 122.75 3kqd s GLU 76 Ca -0.08 2.18 0.23 0.00 0.02 0.00 0.00 54.97 57.32 3kqd s GLU 76 Cb -0.16 -3.28 0.54 0.00 0.10 0.00 0.00 34.13 31.33 3kqd s GLU 76 CO -0.01 -0.53 1.45 0.39 0.02 0.00 0.00 175.26 176.59 3kqd n GLU 77 N 4.21 2.18 0.00 1.61 1.02 -1.26 -4.97 120.64 123.42 3kqd n GLU 77 Ca 0.13 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.51 3kqd n GLU 77 Cb 0.41 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 3kqd n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kqd n GLY 78 N 1.34 0.48 0.55 0.62 0.00 -1.26 -4.20 105.19 102.72 3kqd n GLY 78 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3kqd n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqd n GLY 79 N 0.00 0.14 3.77 -0.02 0.00 -1.26 -4.91 105.19 102.90 3kqd n GLY 79 Ca 0.00 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 3kqd n GLY 79 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kqd s GLU 80 N -2.07 4.43 -0.08 1.61 2.12 -1.26 -4.60 118.70 118.85 3kqd s GLU 80 Ca 0.34 1.73 -0.07 0.00 0.36 0.00 0.00 54.97 57.33 3kqd s GLU 80 Cb 0.20 -2.94 0.02 0.00 0.26 0.00 0.00 34.13 31.67 3kqd s GLU 80 CO 0.36 0.05 0.20 0.00 -0.54 0.00 0.00 175.26 175.32 3kqd s ALA 81 N -1.33 -0.49 -0.15 6.30 0.00 -0.49 -4.97 121.76 120.63 3kqd s ALA 81 Ca 0.50 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.97 3kqd s ALA 81 Cb -0.29 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 3kqd s ALA 81 CO 0.37 -0.10 0.07 0.08 0.00 0.00 0.00 175.76 176.18 3kqd s VAL 82 N 0.14 4.87 -0.04 0.00 1.01 -1.26 -1.11 120.40 124.01 3kqd s VAL 82 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3kqd s VAL 82 Cb -0.02 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3kqd s VAL 82 CO 0.00 0.52 -0.13 -1.00 0.00 0.00 0.00 175.10 174.49 3kqd s HIS 83 N -0.19 1.38 0.51 5.22 3.76 0.44 -4.98 115.29 121.42 3kqd s HIS 83 Ca 0.08 -0.40 -0.05 0.00 -0.15 0.00 0.00 55.06 54.54 3kqd s HIS 83 Cb -0.12 -0.96 -0.03 0.00 1.11 0.00 0.00 32.58 32.59 3kqd s HIS 83 CO 0.01 -0.16 0.81 -1.21 -0.85 0.00 0.00 174.74 173.35 3kqd s GLU 84 N 0.19 3.42 -0.25 1.40 2.02 -1.26 -0.70 118.70 123.52 3kqd s GLU 84 Ca -0.05 0.16 -0.12 0.00 0.02 0.00 0.00 54.97 54.98 3kqd s GLU 84 Cb -0.11 -2.35 -0.05 0.00 0.10 0.00 0.00 34.13 31.72 3kqd s GLU 84 CO 0.02 -0.31 0.23 0.08 0.02 0.00 0.00 175.26 175.30 3kqd s VAL 85 N -2.80 5.30 -0.10 2.63 1.01 -1.26 -1.63 120.40 123.56 3kqd s VAL 85 Ca 0.49 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 3kqd s VAL 85 Cb -0.10 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3kqd s VAL 85 CO 0.45 0.28 -0.05 -0.08 0.00 0.00 0.00 175.10 175.70 3kqd h GLU 86 N 7.80 0.00 -6.04 2.72 4.81 -1.19 -3.44 114.58 119.23 3kqd h GLU 86 Ca -0.36 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.20 3kqd h GLU 86 Cb 1.17 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.24 3kqd h GLU 86 CO 0.64 0.00 -0.88 0.08 -0.73 0.00 0.00 179.01 178.12 3kqd s VAL 87 N -1.66 1.93 -0.32 0.32 1.01 -0.98 -5.00 120.40 115.70 3kqd s VAL 87 Ca -0.04 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.85 3kqd s VAL 87 Cb 0.01 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.78 3kqd s VAL 87 CO 0.06 0.54 0.11 -0.69 0.00 0.00 0.00 175.10 175.12 3kqd s VAL 88 N -0.26 4.04 -0.62 2.92 1.01 -1.26 -0.98 120.40 125.25 3kqd s VAL 88 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 3kqd s VAL 88 Cb -0.12 -3.16 0.16 0.00 0.00 0.00 0.00 36.38 33.26 3kqd s VAL 88 CO 0.02 -0.03 0.50 -0.63 0.00 0.00 0.00 175.10 174.96 3kqd s ILE 89 N 1.49 4.52 0.01 2.22 1.01 0.63 -5.01 121.20 126.07 3kqd s ILE 89 Ca 0.01 -2.31 -0.08 0.00 0.00 0.00 0.00 60.65 58.27 3kqd s ILE 89 Cb -0.18 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 3kqd s ILE 89 CO 0.03 -0.88 0.30 -0.75 0.00 0.00 0.00 174.94 173.64 3kqd s LYS 90 N 0.61 3.64 -0.41 2.79 2.20 -1.26 -1.05 119.74 126.26 3kqd s LYS 90 Ca 0.12 0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.47 3kqd s LYS 90 Cb -0.20 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 33.06 3kqd s LYS 90 CO -0.04 0.64 1.09 -1.58 -0.36 0.00 0.00 175.35 175.11 3kqd s HIS 91 N -1.28 2.96 0.60 4.03 5.65 -1.21 -4.93 115.29 121.12 3kqd s HIS 91 Ca 0.27 0.88 0.30 0.00 0.25 0.00 0.00 55.06 56.77 3kqd s HIS 91 Cb -0.14 -4.09 1.77 0.00 -1.18 0.00 0.00 32.58 28.94 3kqd s HIS 91 CO 0.15 -1.05 2.15 -2.95 -0.65 0.00 0.00 174.74 172.40 3kqd h ASN 92 N 8.76 0.00 0.13 9.88 7.08 -1.93 -2.48 115.58 137.02 3kqd h ASN 92 Ca -0.22 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.00 3kqd h ASN 92 Cb 1.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.30 3kqd h ASN 92 CO 1.08 0.00 0.00 0.54 -2.08 0.00 0.00 177.43 176.97 3kqd n ARG 93 N -3.70 0.56 -2.84 4.14 1.74 -1.26 -4.86 116.66 110.44 3kqd n ARG 93 Ca -0.00 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.70 3kqd n ARG 93 Cb 0.25 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.14 3kqd n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3kqd s PHE 94 N -2.19 3.76 -0.05 -1.55 5.36 -0.94 -4.77 117.98 117.60 3kqd s PHE 94 Ca 0.29 1.64 -0.09 0.00 -0.96 0.00 0.00 56.93 57.82 3kqd s PHE 94 Cb 0.15 -2.96 0.02 0.00 -0.34 0.00 0.00 43.02 39.89 3kqd s PHE 94 CO 0.28 0.21 0.21 -0.08 -1.46 0.00 0.00 175.22 174.38 3kqd s THR 95 N 0.08 0.03 -0.60 0.12 -1.32 -1.26 -5.03 115.64 107.66 3kqd s THR 95 Ca 0.44 -0.23 0.16 0.00 -1.21 0.00 0.00 61.69 60.85 3kqd s THR 95 Cb -0.22 -0.38 0.16 0.00 -1.51 0.00 0.00 72.50 70.55 3kqd s THR 95 CO 0.27 -0.13 1.51 2.29 -2.21 0.00 0.00 174.62 176.35 3kqd n LYS 96 N 2.38 0.10 0.06 7.08 2.85 -1.26 -0.19 118.16 129.18 3kqd n LYS 96 Ca -0.16 0.47 -0.11 0.00 -1.05 0.00 0.00 58.31 57.45 3kqd n LYS 96 Cb 0.57 -1.75 -0.13 0.00 -0.65 0.00 0.00 35.03 33.07 3kqd n LYS 96 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3kqd h GLU 97 N 0.00 0.12 0.00 -1.58 4.39 -2.00 -3.38 114.58 112.12 3kqd h GLU 97 Ca 0.00 -0.20 -0.13 0.00 0.34 0.00 0.00 59.36 59.37 3kqd h GLU 97 Cb 0.16 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3kqd h GLU 97 CO 0.00 1.01 -1.57 0.25 -1.16 0.00 0.00 179.01 177.54 3kqd n THR 98 N -3.37 0.50 -1.41 1.13 -2.24 -0.99 -5.01 114.28 102.89 3kqd n THR 98 Ca -0.08 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.22 3kqd n THR 98 Cb 1.00 -0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 3kqd n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kqd n TYR 99 N -2.24 0.00 -2.87 4.78 4.02 0.74 -4.95 117.16 116.64 3kqd n TYR 99 Ca -0.12 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.44 3kqd n TYR 99 Cb 0.70 -2.70 -0.07 0.00 -0.02 0.00 0.00 39.34 37.25 3kqd n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3kqd s ASP 100 N -2.69 6.95 -1.31 7.72 2.15 -1.26 -3.97 116.67 124.26 3kqd s ASP 100 Ca 0.00 1.64 -0.07 0.00 0.43 0.00 0.00 52.55 54.55 3kqd s ASP 100 Cb 0.00 -2.52 0.01 0.00 -0.30 0.00 0.00 42.92 40.11 3kqd s ASP 100 CO 0.00 -0.31 1.13 0.49 -0.17 0.00 0.00 175.17 176.31 3kqd n PHE 101 N -0.50 -2.72 -2.11 -5.34 3.72 -1.26 -4.09 117.46 105.16 3kqd n PHE 101 Ca 0.06 0.99 -0.41 0.00 -0.05 0.00 0.00 57.45 58.04 3kqd n PHE 101 Cb 0.54 -5.00 -0.02 0.00 -0.94 0.00 0.00 39.48 34.06 3kqd n PHE 101 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3kqd n ASP 102 N -2.98 4.10 -3.73 4.37 2.03 -1.25 -4.55 116.55 114.53 3kqd n ASP 102 Ca -0.05 -2.84 -0.13 0.00 0.52 0.00 0.00 54.79 52.30 3kqd n ASP 102 Cb 0.58 -1.66 -0.11 0.00 -0.72 0.00 0.00 41.12 39.22 3kqd n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3kqd s ILE 103 N 5.03 -0.01 0.03 5.18 2.07 -1.26 -4.13 121.20 128.11 3kqd s ILE 103 Ca 0.54 0.02 -0.09 0.00 -1.41 0.00 0.00 60.65 59.72 3kqd s ILE 103 Cb 0.07 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 42.13 3kqd s ILE 103 CO 0.04 0.01 0.18 0.00 -1.91 0.00 0.00 174.94 173.26 3kqd s ALA 104 N 0.45 -0.35 -0.09 1.50 0.00 0.30 -3.28 121.76 120.29 3kqd s ALA 104 Ca -0.02 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.74 3kqd s ALA 104 Cb -0.04 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.31 3kqd s ALA 104 CO -0.02 -0.32 -0.22 0.08 0.00 0.00 0.00 175.76 175.28 3kqd s VAL 105 N -2.25 1.91 -0.16 0.00 1.01 -0.21 -0.74 120.40 119.96 3kqd s VAL 105 Ca -0.08 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 3kqd s VAL 105 Cb -0.03 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3kqd s VAL 105 CO -0.02 0.53 -0.07 -0.76 0.00 0.00 0.00 175.10 174.77 3kqd s LEU 106 N 0.35 3.01 -0.17 3.92 1.43 0.11 -0.27 118.68 127.06 3kqd s LEU 106 Ca -0.17 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 3kqd s LEU 106 Cb -0.17 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3kqd s LEU 106 CO 0.08 0.14 0.12 -0.60 0.23 0.00 0.00 176.35 176.31 3kqd s ARG 107 N 0.53 3.89 0.27 1.70 3.52 -0.15 -0.63 118.95 128.08 3kqd s ARG 107 Ca -0.05 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.28 3kqd s ARG 107 Cb -0.15 -3.29 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 3kqd s ARG 107 CO 0.03 0.45 0.53 -0.51 -0.81 0.00 0.00 175.30 174.99 3kqd s LEU 108 N -0.09 4.09 0.10 -0.88 1.43 0.54 -0.79 118.68 123.07 3kqd s LEU 108 Ca 0.09 0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 53.71 3kqd s LEU 108 Cb -0.12 -3.47 -0.08 0.00 0.03 0.00 0.00 46.19 42.55 3kqd s LEU 108 CO 0.00 -0.17 1.43 0.50 0.23 0.00 0.00 176.35 178.35 3kqd h LYS 109 N 1.76 0.69 -6.57 1.70 1.63 -1.60 -3.41 116.57 110.76 3kqd h LYS 109 Ca -0.48 -0.34 -0.69 0.00 -0.85 0.00 0.00 60.65 58.29 3kqd h LYS 109 Cb 1.19 0.00 -0.24 0.00 -0.60 0.00 0.00 32.23 32.58 3kqd h LYS 109 CO 0.67 0.95 -0.83 0.95 -3.45 0.00 0.00 179.45 177.74 3kqd s THR 110 N -4.43 2.60 0.43 1.00 -4.23 -1.26 -5.02 115.64 104.72 3kqd s THR 110 Ca -0.12 -1.13 -0.23 0.00 -1.18 0.00 0.00 61.69 59.02 3kqd s THR 110 Cb 0.09 -2.04 -0.09 0.00 1.34 0.00 0.00 72.50 71.80 3kqd s THR 110 CO 0.82 0.42 1.07 -2.16 -0.54 0.00 0.00 174.62 174.23 3kqd s PRO 111 N -1.15 3.99 0.22 3.99 0.04 -1.26 -4.85 135.00 135.98 3kqd s PRO 111 Ca 0.13 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 3kqd s PRO 111 Cb -0.10 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 3kqd s PRO 111 CO 0.03 -0.30 1.16 0.42 0.04 0.00 0.00 177.00 178.35 3kqd s ILE 112 N -1.73 3.55 -0.28 0.56 1.01 0.25 -5.00 121.20 119.55 3kqd s ILE 112 Ca 0.62 1.39 -0.21 0.00 0.00 0.00 0.00 60.65 62.44 3kqd s ILE 112 Cb -0.21 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 3kqd s ILE 112 CO 0.26 0.26 0.67 -0.89 0.00 0.00 0.00 174.94 175.25 3kqd s THR 113 N -0.47 4.92 -0.01 2.92 2.01 -1.26 -4.75 115.64 119.00 3kqd s THR 113 Ca 0.49 1.07 -0.26 0.00 0.31 0.00 0.00 61.69 63.31 3kqd s THR 113 Cb -0.32 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 3kqd s THR 113 CO 0.39 -0.09 0.80 -0.36 -0.69 0.00 0.00 174.62 174.66 3kqd s PHE 114 N 2.65 3.66 0.16 4.92 0.08 -1.26 -4.83 117.98 123.35 3kqd s PHE 114 Ca 0.28 1.45 -0.06 0.00 0.12 0.00 0.00 56.93 58.72 3kqd s PHE 114 Cb -0.15 -2.90 0.02 0.00 -0.57 0.00 0.00 43.02 39.43 3kqd s PHE 114 CO 0.10 0.13 0.32 2.89 -0.10 0.00 0.00 175.22 178.56 3kqd n ARG 115 N 3.47 0.45 -1.69 0.44 1.85 0.20 -5.00 116.66 116.37 3kqd n ARG 115 Ca 0.00 -0.88 -0.44 0.00 -1.00 0.00 0.00 57.85 55.53 3kqd n ARG 115 Cb 0.51 1.10 -0.03 0.00 -1.05 0.00 0.00 32.46 32.98 3kqd n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 3kqd n MET 116 N -0.21 2.38 -0.73 2.89 0.00 -1.26 -0.55 117.12 119.63 3kqd n MET 116 Ca -0.03 0.86 0.00 0.00 -0.00 0.00 0.00 57.70 58.52 3kqd n MET 116 Cb 0.24 -2.64 0.00 0.00 0.00 0.00 0.00 33.22 30.81 3kqd n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3kqd n ASN 117 N 3.38 0.00 -3.66 6.12 3.02 -1.26 -4.95 115.26 117.92 3kqd n ASN 117 Ca 0.16 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.41 3kqd n ASN 117 Cb 0.31 -0.55 -0.15 0.00 -0.61 0.00 0.00 39.78 38.79 3kqd n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kqd s VAL 118 N -3.16 0.51 0.00 2.41 1.01 0.28 -3.91 120.40 117.54 3kqd s VAL 118 Ca 0.00 -1.13 -0.26 0.00 0.00 0.00 0.00 61.98 60.60 3kqd s VAL 118 Cb 0.00 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 35.05 3kqd s VAL 118 CO 0.00 -0.68 0.58 0.00 0.00 0.00 0.00 175.10 175.00 3kqd s ALA 119 N 1.81 -1.49 0.59 5.51 0.00 -1.03 -0.63 121.76 126.52 3kqd s ALA 119 Ca 0.09 0.89 -0.09 0.00 0.00 0.00 0.00 51.96 52.86 3kqd s ALA 119 Cb -0.17 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3kqd s ALA 119 CO -0.29 -0.44 0.96 -1.25 0.00 0.00 0.00 175.76 174.75 3kqd s PRO 120 N -1.84 3.39 0.13 0.00 0.04 -1.26 -2.53 135.00 132.93 3kqd s PRO 120 Ca -0.08 0.47 -0.07 0.00 0.04 0.00 0.00 61.00 61.36 3kqd s PRO 120 Cb -0.01 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 3kqd s PRO 120 CO 0.04 -0.56 0.40 0.00 0.04 0.00 0.00 177.00 176.92 3kqd s ALA 121 N -3.07 3.74 0.43 8.56 0.00 0.65 -4.83 121.76 127.25 3kqd s ALA 121 Ca 0.53 -0.47 -0.24 0.00 0.00 0.00 0.00 51.96 51.79 3kqd s ALA 121 Cb -0.11 -2.21 -0.08 0.00 0.00 0.00 0.00 23.12 20.72 3kqd s ALA 121 CO 0.50 0.62 1.14 0.00 0.00 0.00 0.00 175.76 178.02 3kqd s LEU 123 N -2.81 4.48 0.94 0.00 1.43 -1.26 0.33 118.68 121.79 3kqd s LEU 123 Ca 0.61 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 3kqd s LEU 123 Cb -0.27 -2.08 0.16 0.00 0.03 0.00 0.00 46.19 44.02 3kqd s LEU 123 CO 0.34 -0.26 1.18 -2.16 0.23 0.00 0.00 176.35 175.68 3kqd s PRO 124 N 1.66 0.89 0.33 1.29 0.04 -1.26 -4.99 135.00 132.96 3kqd s PRO 124 Ca 0.05 0.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.03 3kqd s PRO 124 Cb -0.18 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 3kqd s PRO 124 CO 0.09 -2.32 0.69 -1.21 0.04 0.00 0.00 177.00 174.29 3kqd s GLU 124 N -5.49 3.84 0.00 4.56 2.02 -1.26 -4.95 118.70 117.42 3kqd s GLU 124 Ca 0.67 0.44 0.00 0.00 0.02 0.00 0.00 54.97 56.10 3kqd s GLU 124 Cb -0.11 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.64 3kqd s GLU 124 CO 0.53 0.12 0.99 -2.13 0.02 0.00 0.00 175.26 174.79 3kqd n ARG 125 N -0.73 0.00 -0.20 1.61 0.63 -1.26 -1.43 116.66 115.28 3kqd n ARG 125 Ca 0.02 0.74 -0.05 0.00 -0.92 0.00 0.00 57.85 57.64 3kqd n ARG 125 Cb 0.53 -1.49 0.06 0.00 0.45 0.00 0.00 32.46 32.01 3kqd n ARG 125 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3kqd h ASP 126 N 0.00 0.58 -0.77 6.15 3.45 -1.96 -1.98 116.42 121.88 3kqd h ASP 126 Ca 0.00 0.00 0.03 0.00 0.43 0.00 0.00 57.03 57.50 3kqd h ASP 126 Cb 0.00 -0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 38.61 3kqd h ASP 126 CO 0.00 0.40 0.49 -0.25 -1.57 0.00 0.00 179.24 178.31 3kqd h TRP 127 N 0.70 0.92 -0.58 4.55 7.01 -1.99 0.58 115.95 127.15 3kqd h TRP 127 Ca 0.24 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.27 3kqd h TRP 127 Cb 0.03 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.76 3kqd h TRP 127 CO -0.06 0.53 0.38 0.00 -2.79 0.00 0.00 178.44 176.50 3kqd h ALA 128 N 1.32 0.73 -0.32 2.65 0.00 -0.92 0.13 119.26 122.85 3kqd h ALA 128 Ca 0.31 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3kqd h ALA 128 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kqd h ALA 128 CO -0.11 0.16 -0.03 0.93 0.00 0.00 0.00 179.25 180.20 3kqd h GLU 129 N 0.78 0.59 0.10 0.00 5.08 -0.59 -1.06 114.58 119.48 3kqd h GLU 129 Ca 0.21 -0.21 -0.30 0.00 -1.00 0.00 0.00 59.36 58.07 3kqd h GLU 129 Cb -0.08 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3kqd h GLU 129 CO -0.05 0.74 -1.49 0.66 -1.00 0.00 0.00 179.01 177.87 3kqd h SER 130 N 0.39 0.34 0.00 1.42 4.64 -0.87 -3.38 113.55 116.09 3kqd h SER 130 Ca 0.09 -0.47 -0.26 0.00 -0.47 0.00 0.00 61.79 60.68 3kqd h SER 130 Cb 0.50 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 3kqd h SER 130 CO 0.02 1.39 -1.99 0.41 -0.87 0.00 0.00 176.83 175.79 3kqd n THR 131 N -3.42 0.99 -0.08 2.95 -1.04 0.45 -4.47 114.28 109.65 3kqd n THR 131 Ca -0.15 -0.61 -0.06 0.00 -2.04 0.00 0.00 64.05 61.19 3kqd n THR 131 Cb 1.04 -0.62 -0.02 0.00 -1.82 0.00 0.00 70.33 68.90 3kqd n THR 131 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3kqd n LEU 131 N -2.54 1.83 0.09 -4.42 4.77 -0.50 -4.13 117.00 112.10 3kqd n LEU 131 Ca -0.24 0.59 0.06 0.00 -0.03 0.00 0.00 56.01 56.39 3kqd n LEU 131 Cb 0.97 -0.86 0.30 0.00 -2.33 0.00 0.00 43.42 41.50 3kqd n LEU 131 CO 0.30 -0.40 0.69 0.80 -1.33 0.00 0.00 177.39 177.45 3kqd n MET 131 N -4.59 0.07 0.01 3.23 1.56 -0.61 -0.91 117.12 115.88 3kqd n MET 131 Ca -0.10 0.55 0.11 0.00 -0.27 0.00 0.00 57.70 57.99 3kqd n MET 131 Cb 0.32 -1.81 0.06 0.00 2.15 0.00 0.00 33.22 33.95 3kqd n MET 131 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 3kqd n THR 132 N -1.88 0.04 -1.43 1.12 -2.24 -1.26 -4.94 114.28 103.69 3kqd n THR 132 Ca -0.01 -0.07 -0.32 0.00 -2.27 0.00 0.00 64.05 61.38 3kqd n THR 132 Cb 0.08 0.50 0.08 0.00 -2.10 0.00 0.00 70.33 68.89 3kqd n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kqd s GLN 133 N -3.05 2.31 0.12 -0.78 -1.52 -0.09 -4.97 119.66 111.69 3kqd s GLN 133 Ca 0.08 1.40 -0.18 0.00 -1.95 0.00 0.00 55.36 54.71 3kqd s GLN 133 Cb 0.16 -1.89 -0.04 0.00 -0.22 0.00 0.00 33.01 31.02 3kqd s GLN 133 CO 0.79 -1.63 1.74 1.57 -0.25 0.00 0.00 175.29 177.50 3kqd h LYS 134 N -0.60 0.39 -5.01 2.91 2.10 -1.92 -3.42 116.57 111.02 3kqd h LYS 134 Ca -0.45 -0.04 -0.38 0.00 -2.00 0.00 0.00 60.65 57.77 3kqd h LYS 134 Cb 1.25 -0.08 -0.14 0.00 -0.90 0.00 0.00 32.23 32.36 3kqd h LYS 134 CO 0.51 0.32 -0.63 0.95 -2.00 0.00 0.00 179.45 178.60 3kqd s THR 135 N -5.93 0.84 0.35 0.07 -4.23 -1.26 -0.31 115.64 105.17 3kqd s THR 135 Ca -0.13 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.40 3kqd s THR 135 Cb 0.09 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 3kqd s THR 135 CO 0.71 -0.12 0.11 -0.83 -0.54 0.00 0.00 174.62 173.95 3kqd s GLY 136 N -3.34 2.28 -0.08 3.99 0.00 -0.56 -4.72 107.32 104.88 3kqd s GLY 136 Ca 0.34 -1.62 0.03 0.00 0.00 0.00 0.00 44.72 43.48 3kqd s GLY 136 CO 0.12 -1.76 -0.18 -0.42 0.00 0.00 0.00 173.10 170.86 3kqd s ILE 137 N -3.36 1.61 0.13 0.90 1.09 0.40 -0.32 121.20 121.64 3kqd s ILE 137 Ca 0.31 -0.76 0.06 0.00 -1.10 0.00 0.00 60.65 59.16 3kqd s ILE 137 Cb 0.05 -1.42 -0.04 0.00 -1.06 0.00 0.00 42.46 39.99 3kqd s ILE 137 CO 0.15 0.46 0.01 0.54 -0.10 0.00 0.00 174.94 176.00 3kqd s VAL 138 N 0.49 3.93 0.00 2.92 0.11 -0.56 -1.28 120.40 126.01 3kqd s VAL 138 Ca -0.17 -1.17 -0.19 0.00 -2.93 0.00 0.00 61.98 57.52 3kqd s VAL 138 Cb -0.17 -2.93 0.04 0.00 -1.53 0.00 0.00 36.38 31.79 3kqd s VAL 138 CO 0.06 0.01 0.42 -0.94 -3.33 0.00 0.00 175.10 171.33 3kqd s SER 139 N -2.62 -0.32 0.00 3.54 1.04 -1.19 -0.82 113.70 113.33 3kqd s SER 139 Ca 0.27 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.86 3kqd s SER 139 Cb -0.11 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3kqd s SER 139 CO 0.19 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.45 3kqd n GLY 140 N 0.87 0.59 1.43 7.32 0.00 -0.50 -4.22 105.19 110.68 3kqd n GLY 140 Ca -0.20 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.00 3kqd n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kqd n PHE 141 N -0.30 1.16 -1.37 1.61 3.01 -1.26 -1.98 117.46 118.33 3kqd n PHE 141 Ca 0.00 -0.54 -0.29 0.00 1.01 0.00 0.00 57.45 57.63 3kqd n PHE 141 Cb 0.00 -0.09 0.16 0.00 -0.01 0.00 0.00 39.48 39.54 3kqd n PHE 141 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3kqd s GLY 142 N -0.97 1.57 0.10 1.37 0.00 -1.26 -0.83 107.32 107.29 3kqd s GLY 142 Ca 0.50 -0.47 -0.27 0.00 0.00 0.00 0.00 44.72 44.48 3kqd s GLY 142 CO 0.30 0.12 0.61 0.54 0.00 0.00 0.00 173.10 174.67 3kqd n ARG 143 N -3.96 0.00 0.02 2.90 1.74 -0.72 -1.92 116.66 114.71 3kqd n ARG 143 Ca 0.06 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.26 3kqd n ARG 143 Cb 0.58 -0.98 0.27 0.00 -1.02 0.00 0.00 32.46 31.31 3kqd n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kqd n THR 144 N 0.51 0.11 -3.78 0.55 -2.24 -1.26 -2.12 114.28 106.05 3kqd n THR 144 Ca 0.15 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.72 3kqd n THR 144 Cb 0.15 0.05 -0.09 0.00 -2.10 0.00 0.00 70.33 68.33 3kqd n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kqd s HIS 145 N -3.05 -0.19 0.27 4.78 3.76 -1.26 -4.22 115.29 115.37 3kqd s HIS 145 Ca 0.10 0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 55.34 3kqd s HIS 145 Cb 0.16 0.08 0.58 0.00 1.11 0.00 0.00 32.58 34.52 3kqd s HIS 145 CO 0.69 -0.32 1.67 1.49 -0.85 0.00 0.00 174.74 177.42 3kqd h GLU 146 N 4.39 0.24 -4.66 1.40 4.81 -1.89 -3.23 114.58 115.64 3kqd h GLU 146 Ca -0.29 -0.01 -0.70 0.00 -0.13 0.00 0.00 59.36 58.23 3kqd h GLU 146 Cb 1.18 -0.05 -0.24 0.00 0.63 0.00 0.00 28.75 30.27 3kqd h GLU 146 CO 0.38 0.16 -0.53 0.21 -0.73 0.00 0.00 179.01 178.49 3kqd s LYS 147 N -5.99 2.98 0.00 1.92 2.47 -1.26 -4.97 119.74 114.89 3kqd s LYS 147 Ca -0.12 -0.97 0.00 0.00 -1.56 0.00 0.00 55.97 53.32 3kqd s LYS 147 Cb 0.24 -3.66 0.00 0.00 -1.46 0.00 0.00 37.83 32.95 3kqd s LYS 147 CO 0.76 -0.60 0.00 0.41 0.16 0.00 0.00 175.35 176.08 3kqd n GLY 149 N 4.98 -1.70 3.92 5.54 0.00 -1.22 -4.99 105.19 111.72 3kqd n GLY 149 Ca -0.12 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 3kqd n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kqd s ARG 150 N -1.79 2.75 0.29 1.61 1.70 -1.26 -4.95 118.95 117.30 3kqd s ARG 150 Ca 0.00 -1.32 -0.30 0.00 -0.47 0.00 0.00 55.73 53.65 3kqd s ARG 150 Cb 0.00 -2.57 -0.13 0.00 -0.57 0.00 0.00 34.95 31.68 3kqd s ARG 150 CO 0.00 -0.10 1.39 1.04 -1.08 0.00 0.00 175.30 176.54 3kqd n GLN 151 N -1.60 2.18 -2.24 3.89 1.13 -1.26 -4.17 117.38 115.31 3kqd n GLN 151 Ca 0.03 0.77 -0.38 0.00 -1.94 0.00 0.00 57.00 55.48 3kqd n GLN 151 Cb 0.60 -2.42 -0.01 0.00 0.11 0.00 0.00 30.24 28.52 3kqd n GLN 151 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kqd s SER 152 N 0.06 6.29 0.14 1.08 0.15 -0.01 -4.89 113.70 116.51 3kqd s SER 152 Ca 0.62 2.36 0.22 0.00 0.70 0.00 0.00 55.95 59.86 3kqd s SER 152 Cb -0.59 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.05 3kqd s SER 152 CO 0.55 -0.84 0.93 0.35 1.20 0.00 0.00 173.24 175.43 3kqd n THR 153 N -0.24 0.43 -4.40 6.45 -2.24 -1.26 -4.75 114.28 108.27 3kqd n THR 153 Ca 0.06 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 3kqd n THR 153 Cb 0.47 -0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.39 3kqd n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kqd s ARG 154 N -3.37 3.24 -0.17 -0.78 1.81 -1.26 -0.03 118.95 118.39 3kqd s ARG 154 Ca -0.01 -0.46 -0.29 0.00 -1.72 0.00 0.00 55.73 53.24 3kqd s ARG 154 Cb 0.11 -2.83 -0.01 0.00 -0.45 0.00 0.00 34.95 31.77 3kqd s ARG 154 CO 0.81 0.51 1.22 -1.17 -0.68 0.00 0.00 175.30 175.99 3kqd s LEU 155 N -0.37 4.17 0.39 2.53 2.96 -0.16 -4.66 118.68 123.55 3kqd s LEU 155 Ca 0.07 1.64 0.08 0.00 -0.22 0.00 0.00 54.13 55.70 3kqd s LEU 155 Cb -0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 3kqd s LEU 155 CO 0.02 -0.73 0.23 -0.54 -1.32 0.00 0.00 176.35 174.01 3kqd s LYS 156 N 3.34 2.36 -0.00 1.98 1.02 -0.84 -0.63 119.74 126.97 3kqd s LYS 156 Ca 0.53 -1.67 -0.10 0.00 0.02 0.00 0.00 55.97 54.75 3kqd s LYS 156 Cb -0.21 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 3kqd s LYS 156 CO 0.14 -0.08 0.19 0.00 -0.92 0.00 0.00 175.35 174.68 3kqd s MET 157 N -3.96 0.53 -0.11 1.68 0.23 0.15 -1.41 119.30 116.42 3kqd s MET 157 Ca 0.42 -0.32 -0.05 0.00 -1.03 0.00 0.00 55.69 54.71 3kqd s MET 157 Cb 0.00 0.23 0.05 0.00 -1.53 0.00 0.00 34.83 33.58 3kqd s MET 157 CO 0.24 -0.13 0.26 -1.17 -2.03 0.00 0.00 175.02 172.19 3kqd s LEU 158 N -1.34 0.26 -0.03 0.18 2.96 0.00 -0.81 118.68 119.90 3kqd s LEU 158 Ca -0.14 0.56 -0.30 0.00 -0.22 0.00 0.00 54.13 54.03 3kqd s LEU 158 Cb -0.07 0.76 -0.04 0.00 0.50 0.00 0.00 46.19 47.35 3kqd s LEU 158 CO 0.02 -0.18 1.21 -0.70 -1.32 0.00 0.00 176.35 175.38 3kqd s GLU 159 N 1.47 4.37 -0.11 1.98 2.12 -1.26 -1.50 118.70 125.78 3kqd s GLU 159 Ca -0.07 1.70 0.03 0.00 0.36 0.00 0.00 54.97 56.98 3kqd s GLU 159 Cb -0.11 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.78 3kqd s GLU 159 CO -0.09 -0.40 -0.18 0.14 -0.54 0.00 0.00 175.26 174.19 3kqd s VAL 160 N 1.94 1.71 0.29 3.70 -7.23 0.56 -4.97 120.40 116.39 3kqd s VAL 160 Ca 0.57 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 3kqd s VAL 160 Cb -0.26 -1.52 -0.10 0.00 0.56 0.00 0.00 36.38 35.06 3kqd s VAL 160 CO 0.24 0.48 1.33 -2.84 -0.31 0.00 0.00 175.10 174.01 3kqd s PRO 161 N 0.74 4.35 0.11 4.82 0.02 -1.26 -1.50 135.00 142.28 3kqd s PRO 161 Ca -0.11 2.20 -0.31 0.00 0.02 0.00 0.00 61.00 62.80 3kqd s PRO 161 Cb -0.16 -3.11 -0.09 0.00 0.02 0.00 0.00 34.50 31.17 3kqd s PRO 161 CO 0.02 -0.24 1.60 0.71 -0.33 0.00 0.00 177.00 178.75 3kqd s TYR 162 N -0.64 2.75 -0.14 6.54 2.02 0.58 -1.32 117.35 127.13 3kqd s TYR 162 Ca 0.53 0.49 -0.12 0.00 -0.37 0.00 0.00 57.07 57.60 3kqd s TYR 162 Cb -0.39 -3.93 -0.05 0.00 -0.40 0.00 0.00 41.96 37.19 3kqd s TYR 162 CO 0.48 -3.58 0.24 0.08 -1.57 0.00 0.00 175.55 171.20 3kqd s VAL 163 N 1.92 5.33 -0.04 0.71 1.01 -0.33 -4.90 120.40 124.10 3kqd s VAL 163 Ca 0.72 0.44 -0.38 0.00 0.00 0.00 0.00 61.98 62.75 3kqd s VAL 163 Cb -0.41 -3.56 -0.17 0.00 0.00 0.00 0.00 36.38 32.24 3kqd s VAL 163 CO 0.32 0.46 1.44 -0.67 0.00 0.00 0.00 175.10 176.65 3kqd n ASP 164 N 3.09 1.71 -0.13 3.32 2.03 -1.26 -4.56 116.55 120.75 3kqd n ASP 164 Ca -0.14 1.11 -0.06 0.00 0.52 0.00 0.00 54.79 56.22 3kqd n ASP 164 Cb 0.52 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 3kqd n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3kqd h ARG 165 N 5.19 -0.17 -0.11 -0.67 9.65 -1.96 0.04 114.38 126.34 3kqd h ARG 165 Ca -0.48 0.01 -0.19 0.00 -1.10 0.00 0.00 59.98 58.22 3kqd h ARG 165 Cb 1.34 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.96 3kqd h ARG 165 CO 0.82 -0.11 -0.73 -2.95 2.80 0.00 0.00 179.97 179.80 3kqd h ASN 166 N -0.18 0.64 -0.51 -3.80 -1.07 -2.00 -2.69 115.58 105.98 3kqd h ASN 166 Ca 0.20 -0.41 0.03 0.00 0.07 0.00 0.00 56.30 56.18 3kqd h ASN 166 Cb 0.50 -0.19 -0.03 0.00 -2.07 0.00 0.00 38.32 36.53 3kqd h ASN 166 CO -0.54 1.17 0.34 -1.28 0.07 0.00 0.00 177.43 177.19 3kqd h SER 167 N 0.38 0.52 0.15 6.14 0.87 -1.88 -0.88 113.55 118.84 3kqd h SER 167 Ca -0.03 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3kqd h SER 167 Cb 1.32 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 3kqd h SER 167 CO 0.13 0.37 -0.07 0.00 -0.53 0.00 0.00 176.83 176.73 3kqd h LYS 169 N -0.55 0.85 -0.54 0.00 1.57 -1.07 -2.36 116.57 114.46 3kqd h LYS 169 Ca -0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3kqd h LYS 169 Cb 0.43 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3kqd h LYS 169 CO 0.03 0.56 0.22 -0.07 -0.57 0.00 0.00 179.45 179.63 3kqd h LEU 170 N 0.88 0.74 -1.87 2.94 3.38 -1.14 -2.97 115.31 117.26 3kqd h LEU 170 Ca 0.47 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 3kqd h LEU 170 Cb 0.49 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3kqd h LEU 170 CO -0.28 0.70 -0.06 0.77 0.09 0.00 0.00 178.44 179.66 3kqd h SER 171 N 0.73 0.00 -2.98 -0.43 4.64 -1.03 -3.44 113.55 111.03 3kqd h SER 171 Ca 0.18 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.89 3kqd h SER 171 Cb 0.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.22 3kqd h SER 171 CO -0.02 0.06 -0.27 -0.55 -0.87 0.00 0.00 176.83 175.18 3kqd s SER 172 N -5.75 6.68 0.00 4.97 0.15 -1.11 -4.80 113.70 113.84 3kqd s SER 172 Ca -0.01 0.81 0.27 0.00 0.70 0.00 0.00 55.95 57.72 3kqd s SER 172 Cb 0.11 -2.19 0.90 0.00 -1.71 0.00 0.00 66.02 63.13 3kqd s SER 172 CO 0.54 0.28 1.66 -1.54 1.20 0.00 0.00 173.24 175.38 3kqd n SER 173 N 1.50 1.36 -4.57 5.45 3.41 -1.26 -4.89 113.62 114.62 3kqd n SER 173 Ca -0.13 -1.28 -0.26 0.00 -0.26 0.00 0.00 58.87 56.94 3kqd n SER 173 Cb 0.53 0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.43 3kqd n SER 173 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3kqd s PHE 174 N -2.20 2.38 -0.16 7.33 0.08 -1.26 -5.12 117.98 119.03 3kqd s PHE 174 Ca 0.32 -0.65 -0.29 0.00 0.12 0.00 0.00 56.93 56.43 3kqd s PHE 174 Cb 0.20 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 41.08 3kqd s PHE 174 CO 0.41 0.43 1.14 0.42 -0.10 0.00 0.00 175.22 177.51 3kqd s ILE 175 N -2.76 4.49 -0.69 0.64 1.01 -1.26 -5.01 121.20 117.62 3kqd s ILE 175 Ca 0.34 1.80 -0.18 0.00 0.00 0.00 0.00 60.65 62.61 3kqd s ILE 175 Cb 0.07 -4.16 0.13 0.00 0.01 0.00 0.00 42.46 38.52 3kqd s ILE 175 CO 0.17 -0.11 0.78 -0.63 0.00 0.00 0.00 174.94 175.15 3kqd s ILE 176 N 2.97 4.98 1.01 2.92 -1.09 -1.26 -5.03 121.20 125.70 3kqd s ILE 176 Ca 0.50 -1.42 -0.12 0.00 -2.23 0.00 0.00 60.65 57.38 3kqd s ILE 176 Cb -0.19 -4.53 0.20 0.00 -1.58 0.00 0.00 42.46 36.35 3kqd s ILE 176 CO 0.13 -1.16 1.09 0.42 -1.23 0.00 0.00 174.94 174.19 3kqd s THR 177 N 2.12 2.04 -0.64 2.92 -4.23 -1.26 -4.91 115.64 111.68 3kqd s THR 177 Ca 0.16 0.01 0.18 0.00 -1.18 0.00 0.00 61.69 60.87 3kqd s THR 177 Cb -0.18 -2.49 0.18 0.00 1.34 0.00 0.00 72.50 71.35 3kqd s THR 177 CO 0.00 -0.02 1.56 0.00 -0.54 0.00 0.00 174.62 175.63 3kqd n GLN 178 N -4.22 0.11 0.00 3.99 6.02 -1.26 -1.39 117.38 120.63 3kqd n GLN 178 Ca 0.05 0.41 0.13 0.00 -0.01 0.00 0.00 57.00 57.58 3kqd n GLN 178 Cb 0.57 -1.74 0.39 0.00 1.02 0.00 0.00 30.24 30.48 3kqd n GLN 178 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kqd n ASN 179 N -1.96 1.08 -4.68 1.08 3.02 -1.26 -4.88 115.26 107.67 3kqd n ASN 179 Ca 0.02 -0.95 -0.26 0.00 -0.03 0.00 0.00 54.58 53.35 3kqd n ASN 179 Cb 0.16 0.13 -0.07 0.00 -0.61 0.00 0.00 39.78 39.38 3kqd n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3kqd s MET 180 N -2.45 2.45 -0.05 3.52 -1.94 -0.49 0.20 119.30 120.54 3kqd s MET 180 Ca 0.25 -1.11 -0.11 0.00 -1.71 0.00 0.00 55.69 53.02 3kqd s MET 180 Cb 0.19 -2.37 0.02 0.00 2.01 0.00 0.00 34.83 34.68 3kqd s MET 180 CO 0.50 0.45 0.25 -0.59 -0.01 0.00 0.00 175.02 175.62 3kqd s PHE 181 N -1.78 -0.18 0.06 -0.03 -0.12 0.11 -4.76 117.98 111.27 3kqd s PHE 181 Ca 0.28 0.37 -0.12 0.00 -0.05 0.00 0.00 56.93 57.41 3kqd s PHE 181 Cb -0.09 0.06 -0.06 0.00 -0.63 0.00 0.00 43.02 42.30 3kqd s PHE 181 CO 0.19 -0.26 0.42 0.00 -0.05 0.00 0.00 175.22 175.53 3kqd s ALA 183 N -1.28 -1.14 0.00 0.00 0.00 -0.99 -1.19 121.76 117.17 3kqd s ALA 183 Ca 0.30 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.57 3kqd s ALA 183 Cb -0.15 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.20 3kqd s ALA 183 CO 0.16 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3kqd n GLY 184 N 2.91 0.54 3.24 0.00 0.00 -0.43 -2.14 105.19 109.31 3kqd n GLY 184 Ca -0.14 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 3kqd n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqd s TYR 185 N -2.90 2.19 0.11 1.61 2.02 -1.26 -4.08 117.35 115.04 3kqd s TYR 185 Ca 0.00 -0.59 -0.11 0.00 -0.37 0.00 0.00 57.07 56.00 3kqd s TYR 185 Cb 0.00 -1.44 -0.14 0.00 -0.40 0.00 0.00 41.96 39.98 3kqd s TYR 185 CO 0.00 -0.16 1.29 0.38 -1.57 0.00 0.00 175.55 175.49 3kqd h ASP 185 N 5.98 0.83 0.00 2.29 3.04 -1.93 -3.42 116.42 123.22 3kqd h ASP 185 Ca -0.34 -0.59 -0.07 0.00 -3.24 0.00 0.00 57.03 52.79 3kqd h ASP 185 Cb 1.16 -0.25 -0.01 0.00 -1.04 0.00 0.00 39.33 39.19 3kqd h ASP 185 CO 0.47 1.39 -1.25 0.35 -2.04 0.00 0.00 179.24 178.16 3kqd n THR 185 N -3.88 0.25 -1.71 1.15 -2.24 -1.26 0.12 114.28 106.71 3kqd n THR 185 Ca -0.08 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 3kqd n THR 185 Cb 0.79 -0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 3kqd n THR 185 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3kqd s LYS 186 N -2.09 4.14 -1.34 -0.78 2.20 -1.26 -4.78 119.74 115.83 3kqd s LYS 186 Ca -0.06 2.59 -0.08 0.00 -0.36 0.00 0.00 55.97 58.06 3kqd s LYS 186 Cb 0.02 -3.78 0.11 0.00 -1.51 0.00 0.00 37.83 32.67 3kqd s LYS 186 CO 0.10 -0.87 2.26 1.04 -0.36 0.00 0.00 175.35 177.52 3kqd n GLN 187 N 6.29 4.10 -3.72 4.03 6.02 -1.26 -4.67 117.38 128.17 3kqd n GLN 187 Ca 0.18 -3.33 -0.17 0.00 -0.01 0.00 0.00 57.00 53.68 3kqd n GLN 187 Cb 0.39 -2.78 -0.16 0.00 1.02 0.00 0.00 30.24 28.71 3kqd n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3kqd s GLU 188 N -0.13 -0.02 0.28 -1.09 2.02 -1.26 -4.60 118.70 113.91 3kqd s GLU 188 Ca 0.50 0.35 -0.19 0.00 0.02 0.00 0.00 54.97 55.65 3kqd s GLU 188 Cb 0.15 -0.32 0.07 0.00 0.10 0.00 0.00 34.13 34.13 3kqd s GLU 188 CO -0.06 -0.24 0.93 0.34 0.02 0.00 0.00 175.26 176.25 3kqd s ASP 189 N 1.66 0.01 0.86 -0.19 2.15 -0.90 -4.55 116.67 115.70 3kqd s ASP 189 Ca -0.02 -0.90 -0.12 0.00 0.43 0.00 0.00 52.55 51.94 3kqd s ASP 189 Cb -0.12 0.66 0.11 0.00 -0.30 0.00 0.00 42.92 43.27 3kqd s ASP 189 CO -0.04 -1.32 1.16 0.00 -0.17 0.00 0.00 175.17 174.80 3kqd s ALA 190 N -2.20 2.25 0.26 3.66 0.00 -1.26 -0.11 121.76 124.36 3kqd s ALA 190 Ca 0.19 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 3kqd s ALA 190 Cb -0.04 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.10 3kqd s ALA 190 CO 0.08 -1.96 0.39 0.00 0.00 0.00 0.00 175.76 174.27 3kqd n GLN 192 N -0.42 1.55 0.00 0.00 -0.06 -1.26 -1.55 117.38 115.64 3kqd n GLN 192 Ca -0.00 0.56 0.00 0.00 -2.00 0.00 0.00 57.00 55.55 3kqd n GLN 192 Cb 0.43 -2.18 0.00 0.00 -4.06 0.00 0.00 30.24 24.43 3kqd n GLN 192 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kqd n GLY 193 N 2.46 3.38 0.04 1.69 0.00 -1.26 -1.75 105.19 109.76 3kqd n GLY 193 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3kqd n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqd n ASP 194 N 0.00 0.51 -4.67 1.61 8.00 -0.60 -3.58 116.55 117.82 3kqd n ASP 194 Ca 0.00 0.21 -0.42 0.00 0.71 0.00 0.00 54.79 55.29 3kqd n ASP 194 Cb 0.00 -0.17 -0.00 0.00 -0.02 0.00 0.00 41.12 40.93 3kqd n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kqd n SER 195 N -1.84 2.31 0.00 -2.24 7.64 -1.26 -1.66 113.62 116.57 3kqd n SER 195 Ca 0.05 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.10 3kqd n SER 195 Cb 0.39 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 3kqd n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kqd n GLY 196 N 0.90 2.74 3.58 0.23 0.00 -0.41 0.67 105.19 112.90 3kqd n GLY 196 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3kqd n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kqd s GLY 197 N -1.71 1.55 0.34 -0.02 0.00 -0.66 -3.00 107.32 103.81 3kqd s GLY 197 Ca 0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 44.72 44.09 3kqd s GLY 197 CO 0.00 0.27 0.82 -4.14 0.00 0.00 0.00 173.10 170.05 3kqd s PRO 198 N -4.90 4.16 -0.29 2.90 0.02 -1.26 -2.39 135.00 133.23 3kqd s PRO 198 Ca 0.67 0.89 0.00 0.00 0.02 0.00 0.00 61.00 62.59 3kqd s PRO 198 Cb -0.19 -2.45 0.09 0.00 0.02 0.00 0.00 34.50 31.97 3kqd s PRO 198 CO 0.59 0.15 0.06 -1.58 -0.33 0.00 0.00 177.00 175.89 3kqd s HIS 199 N -1.94 2.09 0.10 6.54 2.46 -0.72 -3.17 115.29 120.66 3kqd s HIS 199 Ca 0.55 -1.87 0.04 0.00 0.47 0.00 0.00 55.06 54.25 3kqd s HIS 199 Cb -0.12 -1.83 -0.04 0.00 -0.13 0.00 0.00 32.58 30.46 3kqd s HIS 199 CO 0.17 -0.85 0.05 0.14 -2.47 0.00 0.00 174.74 171.78 3kqd s VAL 200 N 1.49 4.27 -0.13 0.89 -7.23 -0.41 -0.61 120.40 118.67 3kqd s VAL 200 Ca 0.07 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.32 3kqd s VAL 200 Cb -0.18 -3.07 0.01 0.00 0.56 0.00 0.00 36.38 33.70 3kqd s VAL 200 CO -0.18 0.08 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.59 3kqd s THR 201 N -1.43 1.93 -0.11 5.32 2.01 -0.70 -0.45 115.64 122.20 3kqd s THR 201 Ca 0.28 -0.90 -0.27 0.00 0.31 0.00 0.00 61.69 61.11 3kqd s THR 201 Cb -0.12 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 3kqd s THR 201 CO 0.21 0.52 0.88 -0.60 -0.69 0.00 0.00 174.62 174.94 3kqd s ARG 202 N 0.83 4.39 -0.12 4.92 3.52 -1.26 -1.73 118.95 129.50 3kqd s ARG 202 Ca -0.07 1.16 -0.00 0.00 -0.13 0.00 0.00 55.73 56.68 3kqd s ARG 202 Cb -0.15 -3.53 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 3kqd s ARG 202 CO -0.01 -0.23 -0.09 0.12 -0.81 0.00 0.00 175.30 174.28 3kqd s PHE 203 N 1.75 1.62 -1.19 5.12 5.36 0.32 -4.85 117.98 126.11 3kqd s PHE 203 Ca 0.43 -0.83 -0.26 0.00 -0.96 0.00 0.00 56.93 55.30 3kqd s PHE 203 Cb -0.18 -1.30 0.02 0.00 -0.34 0.00 0.00 43.02 41.21 3kqd s PHE 203 CO 0.17 -0.54 0.72 1.63 -1.46 0.00 0.00 175.22 175.73 3kqd n LYS 204 N 4.89 -0.87 -0.90 10.12 5.02 -1.26 -1.53 118.16 133.64 3kqd n LYS 204 Ca -0.13 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3kqd n LYS 204 Cb 0.50 -3.43 0.00 0.00 -0.02 0.00 0.00 35.03 32.08 3kqd n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kqd n ASP 205 N -2.46 -4.08 -4.34 4.39 10.43 -1.26 -4.97 116.55 114.25 3kqd n ASP 205 Ca -0.11 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 56.93 3kqd n ASP 205 Cb 0.58 -2.74 -0.15 0.00 1.84 0.00 0.00 41.12 40.65 3kqd n ASP 205 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3kqd s THR 206 N -1.27 2.49 -0.27 -3.53 2.01 -0.58 -5.12 115.64 109.37 3kqd s THR 206 Ca 0.00 -0.91 -0.09 0.00 0.31 0.00 0.00 61.69 61.00 3kqd s THR 206 Cb 0.00 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 3kqd s THR 206 CO 0.00 0.57 0.13 -0.31 -0.69 0.00 0.00 174.62 174.32 3kqd s TYR 207 N -0.27 3.15 -0.08 4.92 1.51 -1.26 -0.52 117.35 124.79 3kqd s TYR 207 Ca 0.00 -0.20 -0.02 0.00 -1.01 0.00 0.00 57.07 55.85 3kqd s TYR 207 Cb -0.13 -2.31 -0.03 0.00 -0.11 0.00 0.00 41.96 39.38 3kqd s TYR 207 CO 0.03 -0.28 0.01 -0.06 -1.11 0.00 0.00 175.55 174.13 3kqd s PHE 208 N 1.68 3.18 -0.15 2.71 0.40 -0.71 -1.87 117.98 123.22 3kqd s PHE 208 Ca 0.07 0.20 -0.29 0.00 -0.60 0.00 0.00 56.93 56.30 3kqd s PHE 208 Cb -0.16 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 3kqd s PHE 208 CO 0.07 0.48 1.23 0.54 0.70 0.00 0.00 175.22 178.24 3kqd s VAL 209 N -0.91 4.32 -0.07 -0.44 0.11 0.15 -1.73 120.40 121.83 3kqd s VAL 209 Ca 0.14 1.61 0.03 0.00 -2.93 0.00 0.00 61.98 60.82 3kqd s VAL 209 Cb -0.11 -4.04 -0.06 0.00 -1.53 0.00 0.00 36.38 30.64 3kqd s VAL 209 CO 0.03 -0.11 -0.03 0.35 -3.33 0.00 0.00 175.10 172.01 3kqd n THR 210 N 5.20 0.45 -4.14 5.04 -2.24 0.22 -4.55 114.28 114.27 3kqd n THR 210 Ca 0.13 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 3kqd n THR 210 Cb 0.45 -0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 67.78 3kqd n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kqd s GLY 211 N -4.36 0.89 -0.17 3.38 0.00 0.14 -1.75 107.32 105.46 3kqd s GLY 211 Ca -0.08 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.23 3kqd s GLY 211 CO 0.22 -1.36 -0.18 -0.42 0.00 0.00 0.00 173.10 171.36 3kqd s ILE 212 N -4.01 1.89 -0.18 0.90 1.01 -1.09 -1.75 121.20 117.97 3kqd s ILE 212 Ca 0.21 -0.84 -0.35 0.00 0.00 0.00 0.00 60.65 59.67 3kqd s ILE 212 Cb 0.08 -1.73 -0.12 0.00 0.01 0.00 0.00 42.46 40.70 3kqd s ILE 212 CO -0.01 0.51 1.95 0.52 0.00 0.00 0.00 174.94 177.92 3kqd n VAL 213 N 4.65 0.45 -0.04 2.92 0.31 -1.01 -1.34 118.33 124.27 3kqd n VAL 213 Ca -0.20 -0.16 -0.04 0.00 -0.01 0.00 0.00 64.34 63.94 3kqd n VAL 213 Cb 0.50 -1.79 -0.01 0.00 -0.91 0.00 0.00 33.84 31.63 3kqd n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3kqd n SER 214 N 7.50 0.91 -3.37 4.52 2.88 -0.15 -1.28 113.62 124.62 3kqd n SER 214 Ca 0.27 0.15 -0.04 0.00 -1.33 0.00 0.00 58.87 57.93 3kqd n SER 214 Cb 0.27 -0.58 0.01 0.00 -0.75 0.00 0.00 64.21 63.16 3kqd n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3kqd s TRP 215 N -1.89 0.05 0.01 0.66 1.48 -0.61 -4.89 118.94 113.74 3kqd s TRP 215 Ca -0.13 -0.46 -0.29 0.00 -1.06 0.00 0.00 56.10 54.16 3kqd s TRP 215 Cb 0.02 0.71 0.10 0.00 -1.16 0.00 0.00 33.47 33.14 3kqd s TRP 215 CO 0.19 -0.98 1.06 0.20 -4.06 0.00 0.00 176.95 173.37 3kqd s GLY 216 N -3.30 -0.35 -0.71 3.67 0.00 -1.26 -0.20 107.32 105.17 3kqd s GLY 216 Ca 0.20 0.76 -0.17 0.00 0.00 0.00 0.00 44.72 45.51 3kqd s GLY 216 CO 0.05 0.21 0.77 -0.54 0.00 0.00 0.00 173.10 173.60 3kqd s GLU 217 N -2.88 3.30 2.67 2.90 2.02 -1.26 -4.90 118.70 120.54 3kqd s GLU 217 Ca 0.10 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 53.30 3kqd s GLU 217 Cb 0.00 -4.43 0.00 0.00 0.10 0.00 0.00 34.13 29.80 3kqd s GLU 217 CO -0.03 -1.48 0.00 0.41 0.02 0.00 0.00 175.26 174.18 3kqd n GLY 218 N 4.93 -0.34 2.80 -1.39 0.00 -1.26 -4.62 105.19 105.31 3kqd n GLY 218 Ca 0.03 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 3kqd n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqd n ALA 221 N 4.17 -0.51 -2.19 0.00 0.00 -1.26 -4.65 120.51 116.07 3kqd n ALA 221 Ca -0.27 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 3kqd n ALA 221 Cb 0.50 -1.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 3kqd n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kqd s ARG 222 N -4.43 4.29 0.16 0.00 0.52 -1.26 -4.59 118.95 113.64 3kqd s ARG 222 Ca 0.00 2.01 -0.34 0.00 -0.52 0.00 0.00 55.73 56.88 3kqd s ARG 222 Cb 0.00 -3.51 -0.15 0.00 0.52 0.00 0.00 34.95 31.81 3kqd s ARG 222 CO 0.00 -0.55 1.39 1.63 0.02 0.00 0.00 175.30 177.79 3kqd n LYS 223 N 5.09 1.66 -0.45 3.54 4.01 -1.26 -1.56 118.16 129.19 3kqd n LYS 223 Ca 0.13 0.60 0.00 0.00 -0.51 0.00 0.00 58.31 58.53 3kqd n LYS 223 Cb 0.43 -2.25 0.00 0.00 -0.51 0.00 0.00 35.03 32.70 3kqd n LYS 223 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kqd n GLY 223 N 2.60 1.96 3.62 0.72 0.00 0.32 -5.01 105.19 109.40 3kqd n GLY 223 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3kqd n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqd s LYS 224 N -0.05 2.11 0.34 1.61 -0.14 -0.60 -4.73 119.74 118.28 3kqd s LYS 224 Ca 0.00 -1.64 0.04 0.00 -1.36 0.00 0.00 55.97 53.01 3kqd s LYS 224 Cb 0.00 -1.99 -0.03 0.00 -1.68 0.00 0.00 37.83 34.12 3kqd s LYS 224 CO 0.00 0.23 0.17 0.71 -0.76 0.00 0.00 175.35 175.70 3kqd s TYR 225 N -2.45 1.69 -0.03 3.18 2.02 -1.26 -4.61 117.35 115.88 3kqd s TYR 225 Ca 0.33 -1.39 -0.20 0.00 -0.37 0.00 0.00 57.07 55.45 3kqd s TYR 225 Cb -0.03 -0.93 -0.05 0.00 -0.40 0.00 0.00 41.96 40.56 3kqd s TYR 225 CO 0.19 -0.51 0.56 0.20 -1.57 0.00 0.00 175.55 174.42 3kqd s GLY 226 N -3.44 2.55 -0.18 0.71 0.00 -0.91 -4.52 107.32 101.53 3kqd s GLY 226 Ca 0.33 -0.04 -0.07 0.00 0.00 0.00 0.00 44.72 44.95 3kqd s GLY 226 CO 0.18 0.73 0.05 -0.42 0.00 0.00 0.00 173.10 173.64 3kqd s ILE 227 N -0.03 4.61 0.16 0.90 -1.09 0.73 -2.33 121.20 124.14 3kqd s ILE 227 Ca 0.30 -0.10 0.09 0.00 -2.23 0.00 0.00 60.65 58.71 3kqd s ILE 227 Cb -0.17 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 3kqd s ILE 227 CO 0.15 0.46 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.82 3kqd s TYR 228 N 0.44 1.90 0.12 3.97 1.51 0.15 -0.98 117.35 124.45 3kqd s TYR 228 Ca 0.02 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 3kqd s TYR 228 Cb -0.13 -0.96 -0.07 0.00 -0.11 0.00 0.00 41.96 40.69 3kqd s TYR 228 CO 0.01 0.34 1.21 0.99 -1.11 0.00 0.00 175.55 176.99 3kqd s THR 229 N -1.84 3.77 -0.66 -0.71 2.01 -0.45 0.04 115.64 117.80 3kqd s THR 229 Ca 0.15 1.36 -0.26 0.00 0.31 0.00 0.00 61.69 63.26 3kqd s THR 229 Cb -0.07 -3.87 0.04 0.00 0.01 0.00 0.00 72.50 68.61 3kqd s THR 229 CO 0.07 0.16 1.14 -0.75 -0.69 0.00 0.00 174.62 174.55 3kqd s LYS 230 N 0.48 3.26 0.29 4.92 2.20 0.13 -2.67 119.74 128.34 3kqd s LYS 230 Ca 0.56 -0.27 0.02 0.00 -0.36 0.00 0.00 55.97 55.92 3kqd s LYS 230 Cb -0.31 -4.14 0.56 0.00 -1.51 0.00 0.00 37.83 32.43 3kqd s LYS 230 CO 0.32 -1.88 1.84 0.28 -0.36 0.00 0.00 175.35 175.56 3kqd h VAL 231 N 6.04 0.92 -0.79 4.02 2.07 -1.65 -2.55 116.25 124.31 3kqd h VAL 231 Ca -0.27 -0.34 0.18 0.00 0.82 0.00 0.00 66.70 67.09 3kqd h VAL 231 Cb 1.06 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3kqd h VAL 231 CO 1.21 0.18 0.54 0.71 0.02 0.00 0.00 177.57 180.23 3kqd h THR 232 N 0.99 0.71 0.00 2.57 1.35 -1.89 0.17 112.91 116.81 3kqd h THR 232 Ca 0.50 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.26 3kqd h THR 232 Cb 0.49 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 3kqd h THR 232 CO -0.26 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.06 3kqd n ALA 233 N -2.57 1.42 -0.96 6.62 0.00 -0.96 -3.57 120.51 120.50 3kqd n ALA 233 Ca 0.16 0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.70 3kqd n ALA 233 Cb 0.66 -1.29 0.03 0.00 0.00 0.00 0.00 19.45 18.86 3kqd n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kqd n PHE 234 N -2.00 0.00 -0.21 0.00 3.72 0.58 -4.90 117.46 114.65 3kqd n PHE 234 Ca 0.01 -0.39 0.06 0.00 -0.05 0.00 0.00 57.45 57.08 3kqd n PHE 234 Cb 0.14 -0.06 0.33 0.00 -0.94 0.00 0.00 39.48 38.95 3kqd n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3kqd h LEU 235 N 0.00 0.71 -0.16 4.37 3.38 -1.58 0.20 115.31 122.23 3kqd h LEU 235 Ca 0.00 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3kqd h LEU 235 Cb 0.95 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3kqd h LEU 235 CO 0.00 0.45 -0.40 0.11 0.09 0.00 0.00 178.44 178.69 3kqd h LYS 236 N 0.81 0.55 -0.57 1.13 1.57 -1.90 0.20 116.57 118.35 3kqd h LYS 236 Ca 0.33 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3kqd h LYS 236 Cb 0.27 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3kqd h LYS 236 CO -0.12 1.00 0.13 2.35 -0.57 0.00 0.00 179.45 182.25 3kqd h TRP 237 N 0.19 0.96 0.04 -1.35 7.01 -1.83 -0.13 115.95 120.84 3kqd h TRP 237 Ca -0.01 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 60.88 3kqd h TRP 237 Cb 1.01 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.80 3kqd h TRP 237 CO 0.10 0.83 -0.02 0.82 -2.79 0.00 0.00 178.44 177.38 3kqd h ILE 238 N 0.82 1.03 -0.26 2.65 2.04 -0.59 -0.58 117.51 122.62 3kqd h ILE 238 Ca 0.18 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.86 3kqd h ILE 238 Cb 0.35 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3kqd h ILE 238 CO 0.00 0.06 -0.00 -0.78 0.00 0.00 0.00 178.15 177.43 3kqd h ASP 239 N -0.15 -0.11 -0.96 1.72 1.82 -0.77 -2.15 116.42 115.82 3kqd h ASP 239 Ca -0.01 0.06 0.03 0.00 -0.39 0.00 0.00 57.03 56.72 3kqd h ASP 239 Cb 0.14 0.10 -0.05 0.00 0.68 0.00 0.00 39.33 40.20 3kqd h ASP 239 CO 0.01 -0.02 0.63 0.03 -1.61 0.00 0.00 179.24 178.28 3kqd h ARG 240 N 0.07 1.20 -0.52 0.28 3.08 -0.95 -2.53 114.38 115.03 3kqd h ARG 240 Ca 0.12 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.14 3kqd h ARG 240 Cb 0.16 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3kqd h ARG 240 CO -0.21 0.80 0.28 0.77 -1.07 0.00 0.00 179.97 180.54 3kqd h SER 241 N 1.24 0.43 0.77 7.04 0.02 -0.47 -2.25 113.55 120.32 3kqd h SER 241 Ca 0.37 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3kqd h SER 241 Cb -0.04 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3kqd h SER 241 CO -0.10 0.30 0.00 0.24 -1.14 0.00 0.00 176.83 176.12 3kqd h MET 242 N 0.55 0.00 0.00 3.45 2.86 -1.01 -1.51 114.93 119.28 3kqd h MET 242 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3kqd h MET 242 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3kqd h MET 242 CO -0.13 0.00 -0.23 0.87 1.06 0.00 0.00 176.91 178.48 3kqd h LYS 243 N 0.00 0.00 0.00 1.72 1.57 -1.22 -3.52 116.57 115.12 3kqd h LYS 243 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kqd h LYS 243 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3kqd h LYS 243 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13