#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qum s ASN 2 N 0.00 4.73 -0.27 7.83 0.01 -1.26 -4.67 114.94 121.31 2qum s ASN 2 Ca 0.00 -0.11 -0.29 0.00 -0.71 0.00 0.00 52.86 51.75 2qum s ASN 2 Cb 0.00 -1.63 -0.00 0.00 0.41 0.00 0.00 41.25 40.03 2qum s ASN 2 CO 0.00 0.22 1.27 -0.54 -1.51 0.00 0.00 177.10 176.54 2qum s LYS 3 N 0.04 4.00 -0.25 -0.60 1.02 -1.25 -4.91 119.74 117.79 2qum s LYS 3 Ca -0.00 1.33 -0.14 0.00 0.02 0.00 0.00 55.97 57.17 2qum s LYS 3 Cb -0.13 -3.84 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 2qum s LYS 3 CO 0.03 -1.01 0.35 0.08 -0.92 0.00 0.00 175.35 173.88 2qum s VAL 4 N 4.11 5.21 0.51 3.17 1.01 -1.26 -1.41 120.40 131.74 2qum s VAL 4 Ca 0.55 0.55 0.01 0.00 0.00 0.00 0.00 61.98 63.08 2qum s VAL 4 Cb -0.17 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2qum s VAL 4 CO 0.20 0.20 0.03 -0.83 0.00 0.00 0.00 175.10 174.71 2qum s GLY 5 N 1.44 3.03 -0.02 4.51 0.00 0.13 -1.31 107.32 115.09 2qum s GLY 5 Ca 0.15 -0.30 0.04 0.00 0.00 0.00 0.00 44.72 44.61 2qum s GLY 5 CO 0.09 -2.14 -0.15 -0.29 0.00 0.00 0.00 173.10 170.61 2qum s MET 6 N -3.85 1.30 0.10 2.90 -2.45 -0.74 -1.58 119.30 114.97 2qum s MET 6 Ca 0.05 -0.52 -0.31 0.00 -1.25 0.00 0.00 55.69 53.67 2qum s MET 6 Cb 0.01 -1.21 -0.07 0.00 1.25 0.00 0.00 34.83 34.80 2qum s MET 6 CO 0.03 0.27 1.31 0.12 1.05 0.00 0.00 175.02 177.81 2qum s PHE 7 N -0.19 3.33 0.55 4.11 5.36 -0.56 -2.58 117.98 128.00 2qum s PHE 7 Ca 0.02 1.11 0.29 0.00 -0.96 0.00 0.00 56.93 57.39 2qum s PHE 7 Cb -0.07 -3.57 1.55 0.00 -0.34 0.00 0.00 43.02 40.59 2qum s PHE 7 CO 0.00 -1.90 1.86 0.10 -1.46 0.00 0.00 175.22 173.82 2qum h TYR 8 N 6.72 0.00 -0.46 10.12 -0.00 -1.46 -2.20 116.97 129.68 2qum h TYR 8 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.31 2qum h TYR 8 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.94 2qum h TYR 8 CO 0.66 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 179.07 2qum n THR 9 N -2.77 1.58 -0.20 -0.90 -2.24 -1.26 -4.59 114.28 103.89 2qum n THR 9 Ca -0.02 -0.92 -0.04 0.00 -2.27 0.00 0.00 64.05 60.80 2qum n THR 9 Cb 0.34 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.48 2qum n THR 9 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2qum h TYR 10 N 2.99 -0.81 0.03 4.78 -0.00 -1.66 -2.81 116.97 119.49 2qum h TYR 10 Ca 0.00 0.07 -0.29 0.00 -0.00 0.00 0.00 58.73 58.51 2qum h TYR 10 Cb 1.29 0.44 -0.04 0.00 -0.00 0.00 0.00 36.73 38.43 2qum h TYR 10 CO 0.65 -0.36 -1.57 -1.49 -0.00 0.00 0.00 178.16 175.38 2qum h TRP 11 N -0.13 0.11 -3.73 -3.82 6.55 -1.88 -3.45 115.95 109.60 2qum h TRP 11 Ca 0.25 -0.08 -0.49 0.00 0.95 0.00 0.00 58.89 59.51 2qum h TRP 11 Cb 0.54 -0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.81 2qum h TRP 11 CO -0.61 1.13 0.12 0.45 -1.05 0.00 0.00 178.44 178.48 2qum s SER 12 N -6.43 6.83 0.00 -3.49 0.15 -1.06 -4.98 113.70 104.72 2qum s SER 12 Ca -0.06 1.33 0.19 0.00 0.70 0.00 0.00 55.95 58.12 2qum s SER 12 Cb 0.08 -2.39 0.21 0.00 -1.71 0.00 0.00 66.02 62.20 2qum s SER 12 CO 0.82 -0.18 1.16 0.35 1.20 0.00 0.00 173.24 176.59 2qum n THR 13 N -0.22 0.15 -4.44 6.45 -2.24 -1.26 -4.83 114.28 107.89 2qum n THR 13 Ca 0.03 -0.57 -0.25 0.00 -2.27 0.00 0.00 64.05 60.99 2qum n THR 13 Cb 0.53 1.27 -0.10 0.00 -2.10 0.00 0.00 70.33 69.93 2qum n THR 13 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2qum s GLU 14 N -1.51 1.70 0.38 -0.78 0.41 -1.26 -1.67 118.70 115.96 2qum s GLU 14 Ca 0.25 -1.65 0.20 0.00 -0.41 0.00 0.00 54.97 53.36 2qum s GLU 14 Cb 0.17 -1.84 0.62 0.00 -1.78 0.00 0.00 34.13 31.30 2qum s GLU 14 CO 0.24 0.36 1.70 -1.49 -0.49 0.00 0.00 175.26 175.58 2qum h TRP 15 N 2.53 0.00 -2.87 1.61 4.06 -1.95 -3.44 115.95 115.88 2qum h TRP 15 Ca -0.42 0.00 -0.63 0.00 2.06 0.00 0.00 58.89 59.89 2qum h TRP 15 Cb 1.24 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.34 2qum h TRP 15 CO 0.76 0.33 -0.31 1.41 -3.56 0.00 0.00 178.44 177.07 2qum s MET 16 N -3.45 3.73 0.35 0.49 1.75 -1.26 -4.85 119.30 116.06 2qum s MET 16 Ca 0.01 0.20 0.01 0.00 -1.25 0.00 0.00 55.69 54.67 2qum s MET 16 Cb 0.10 -3.21 -0.01 0.00 2.84 0.00 0.00 34.83 34.56 2qum s MET 16 CO 0.68 0.72 0.43 0.14 -0.65 0.00 0.00 175.02 176.34 2qum s VAL 17 N -1.07 0.00 -0.89 10.11 -7.23 -1.26 -5.00 120.40 115.06 2qum s VAL 17 Ca 0.21 -1.72 -0.20 0.00 -1.81 0.00 0.00 61.98 58.46 2qum s VAL 17 Cb -0.15 -2.63 0.10 0.00 0.56 0.00 0.00 36.38 34.27 2qum s VAL 17 CO 0.10 0.00 1.16 -0.62 -0.31 0.00 0.00 175.10 175.43 2qum s ASP 18 N -3.29 6.51 0.12 4.85 3.68 -1.26 -4.91 116.67 122.36 2qum s ASP 18 Ca 0.34 -1.71 -0.31 0.00 2.13 0.00 0.00 52.55 52.99 2qum s ASP 18 Cb 0.00 -2.44 -0.10 0.00 -1.45 0.00 0.00 42.92 38.94 2qum s ASP 18 CO 0.23 -1.23 1.58 -0.26 0.13 0.00 0.00 175.17 175.63 2qum h PHE 19 N 9.16 -1.25 -0.44 -5.34 -1.00 -1.98 0.42 116.94 116.51 2qum h PHE 19 Ca 0.07 0.04 0.09 0.00 2.81 0.00 0.00 57.97 60.98 2qum h PHE 19 Cb 1.03 0.54 -0.10 0.00 3.61 0.00 0.00 35.95 41.03 2qum h PHE 19 CO 1.15 -0.52 -0.29 -1.35 -1.61 0.00 0.00 178.31 175.68 2qum h PRO 20 N -0.64 -0.19 -0.93 1.51 0.11 -1.93 0.33 132.00 130.25 2qum h PRO 20 Ca 0.03 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.16 2qum h PRO 20 Cb 0.68 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.79 2qum h PRO 20 CO -0.29 -0.13 0.61 0.00 -0.21 0.00 0.00 178.00 177.99 2qum h ALA 21 N 0.92 1.33 -0.30 -0.75 0.00 -1.92 -0.80 119.26 117.74 2qum h ALA 21 Ca 0.20 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2qum h ALA 21 Cb 0.52 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2qum h ALA 21 CO -0.56 0.62 -0.33 1.15 0.00 0.00 0.00 179.25 180.13 2qum h THR 22 N 1.26 1.28 -0.34 0.00 2.02 0.32 -0.96 112.91 116.49 2qum h THR 22 Ca 0.34 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 2qum h THR 22 Cb -0.14 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2qum h THR 22 CO -0.07 0.47 0.14 0.00 0.37 0.00 0.00 175.52 176.43 2qum h ALA 23 N 1.08 0.45 -0.61 6.16 0.00 0.31 -1.67 119.26 124.97 2qum h ALA 23 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qum h ALA 23 Cb 0.84 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2qum h ALA 23 CO 0.07 0.05 0.34 0.87 0.00 0.00 0.00 179.25 180.57 2qum h LYS 24 N 0.41 0.86 -0.41 0.00 1.57 -0.93 -1.52 116.57 116.55 2qum h LYS 24 Ca 0.11 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2qum h LYS 24 Cb 0.19 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2qum h LYS 24 CO -0.01 0.65 0.21 -0.09 -0.57 0.00 0.00 179.45 179.64 2qum h ARG 25 N 0.83 0.57 -0.25 3.15 2.43 -1.01 -1.18 114.38 118.93 2qum h ARG 25 Ca 0.22 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2qum h ARG 25 Cb 0.04 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2qum h ARG 25 CO -0.03 0.48 0.11 0.82 -1.51 0.00 0.00 179.97 179.84 2qum h ILE 26 N 0.52 1.15 -0.71 1.20 2.04 -1.14 -2.68 117.51 117.90 2qum h ILE 26 Ca 0.14 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 2qum h ILE 26 Cb 0.09 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2qum h ILE 26 CO -0.02 0.15 0.42 0.00 0.00 0.00 0.00 178.15 178.71 2qum h ALA 27 N 0.97 1.41 0.00 1.87 0.00 -1.18 -2.14 119.26 120.18 2qum h ALA 27 Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2qum h ALA 27 Cb 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2qum h ALA 27 CO -0.01 0.51 -0.10 0.78 0.00 0.00 0.00 179.25 180.43 2qum h GLY 28 N 1.01 0.00 1.81 0.00 0.00 -0.89 -1.72 103.07 103.29 2qum h GLY 28 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2qum h GLY 28 CO -0.05 0.00 -0.05 1.04 0.00 0.00 0.00 176.54 177.48 2qum n LEU 29 N -4.21 0.07 0.00 3.11 4.77 -0.81 -4.91 117.00 115.02 2qum n LEU 29 Ca -0.03 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2qum n LEU 29 Cb 0.18 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2qum n LEU 29 CO 0.33 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2qum n GLY 30 N 1.47 0.92 3.80 -0.72 0.00 -0.64 -4.81 105.19 105.20 2qum n GLY 30 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2qum n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qum s PHE 31 N -2.00 3.00 -0.55 1.61 0.08 -1.19 -4.95 117.98 113.98 2qum s PHE 31 Ca 0.00 1.58 0.22 0.00 0.12 0.00 0.00 56.93 58.85 2qum s PHE 31 Cb 0.00 -3.08 -0.11 0.00 -0.57 0.00 0.00 43.02 39.27 2qum s PHE 31 CO 0.00 -0.84 0.87 -0.25 -0.10 0.00 0.00 175.22 174.90 2qum n ASP 32 N -0.92 0.56 -3.88 1.36 8.00 -0.43 -4.57 116.55 116.68 2qum n ASP 32 Ca 0.09 -0.33 -0.10 0.00 0.71 0.00 0.00 54.79 55.16 2qum n ASP 32 Cb 0.52 1.11 -0.09 0.00 -0.02 0.00 0.00 41.12 42.64 2qum n ASP 32 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qum s LEU 33 N -3.89 1.55 -0.07 0.64 2.96 -1.19 -1.71 118.68 116.97 2qum s LEU 33 Ca 0.02 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2qum s LEU 33 Cb 0.15 0.76 0.02 0.00 0.50 0.00 0.00 46.19 47.62 2qum s LEU 33 CO 0.84 -0.48 -0.04 -0.32 -1.32 0.00 0.00 176.35 175.04 2qum s MET 34 N -2.14 0.92 -0.20 1.98 -2.45 -0.03 -1.79 119.30 115.59 2qum s MET 34 Ca -0.09 -0.07 -0.08 0.00 -1.25 0.00 0.00 55.69 54.20 2qum s MET 34 Cb -0.03 -1.04 -0.04 0.00 1.25 0.00 0.00 34.83 34.96 2qum s MET 34 CO -0.02 -0.18 0.09 -2.00 1.05 0.00 0.00 175.02 173.96 2qum s GLU 35 N 1.40 4.02 0.09 4.11 2.12 -1.06 -1.46 118.70 127.91 2qum s GLU 35 Ca -0.03 -0.31 0.09 0.00 0.36 0.00 0.00 54.97 55.08 2qum s GLU 35 Cb -0.13 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 2qum s GLU 35 CO -0.03 0.22 -0.24 0.96 -0.54 0.00 0.00 175.26 175.64 2qum s ILE 36 N 0.53 1.93 0.25 -3.70 -4.36 -0.77 -1.07 121.20 114.01 2qum s ILE 36 Ca 0.05 -1.50 -0.23 0.00 -0.26 0.00 0.00 60.65 58.71 2qum s ILE 36 Cb -0.12 -1.71 -0.09 0.00 1.25 0.00 0.00 42.46 41.79 2qum s ILE 36 CO 0.00 0.12 0.82 -0.55 0.24 0.00 0.00 174.94 175.57 2qum s SER 37 N -1.66 7.23 0.00 4.36 0.15 -1.26 -1.03 113.70 121.49 2qum s SER 37 Ca 0.10 1.62 0.22 0.00 0.70 0.00 0.00 55.95 58.58 2qum s SER 37 Cb -0.10 -2.49 0.55 0.00 -1.71 0.00 0.00 66.02 62.27 2qum s SER 37 CO 0.04 0.03 1.47 0.18 1.20 0.00 0.00 173.24 176.16 2qum n LEU 38 N 0.82 3.53 0.16 3.45 4.77 -0.28 -4.39 117.00 125.05 2qum n LEU 38 Ca -0.01 -1.67 -0.11 0.00 -0.03 0.00 0.00 56.01 54.19 2qum n LEU 38 Cb 0.50 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 2qum n LEU 38 CO 0.44 0.83 0.51 1.23 -1.33 0.00 0.00 177.39 179.08 2qum h GLY 39 N 4.53 -1.10 1.01 -0.72 0.00 -1.93 -2.22 103.07 102.64 2qum h GLY 39 Ca 0.00 0.52 -0.30 0.00 0.00 0.00 0.00 47.33 47.55 2qum h GLY 39 CO 0.00 -0.34 -1.70 0.83 0.00 0.00 0.00 176.54 175.34 2qum h GLU 40 N -0.61 0.09 -0.93 4.80 5.08 -1.89 -3.34 114.58 117.77 2qum h GLU 40 Ca -0.03 -0.15 0.19 0.00 -1.00 0.00 0.00 59.36 58.36 2qum h GLU 40 Cb 0.55 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.77 2qum h GLU 40 CO -0.08 0.76 0.60 0.35 -1.00 0.00 0.00 179.01 179.64 2qum h PHE 41 N 0.02 0.75 -0.15 4.33 3.57 -1.77 -1.26 116.94 122.45 2qum h PHE 41 Ca -0.29 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.28 2qum h PHE 41 Cb 2.00 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.51 2qum h PHE 41 CO 0.02 0.21 0.12 1.25 -2.23 0.00 0.00 178.31 177.68 2qum h HIS 42 N 0.57 0.00 -0.27 0.41 2.76 -1.52 -2.03 115.15 115.07 2qum h HIS 42 Ca 0.50 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.67 2qum h HIS 42 Cb 1.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.96 2qum h HIS 42 CO -0.00 0.00 0.00 0.09 -1.30 0.00 0.00 177.93 176.72 2qum n ASN 43 N -4.28 2.28 -4.82 3.26 3.02 -0.47 -4.90 115.26 109.35 2qum n ASN 43 Ca 0.01 -1.83 -0.32 0.00 -0.03 0.00 0.00 54.58 52.41 2qum n ASN 43 Cb 0.24 -0.17 0.04 0.00 -0.61 0.00 0.00 39.78 39.28 2qum n ASN 43 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qum s LEU 44 N -1.47 3.26 0.96 3.41 1.02 -0.77 -5.01 118.68 120.08 2qum s LEU 44 Ca 0.34 1.67 -0.11 0.00 0.02 0.00 0.00 54.13 56.05 2qum s LEU 44 Cb 0.19 -4.51 0.17 0.00 0.02 0.00 0.00 46.19 42.06 2qum s LEU 44 CO 0.27 -1.33 1.10 -0.94 0.02 0.00 0.00 176.35 175.47 2qum s SER 45 N -3.47 2.69 0.24 2.29 1.04 -1.26 -4.87 113.70 110.36 2qum s SER 45 Ca 0.60 1.88 -0.04 0.00 0.48 0.00 0.00 55.95 58.87 2qum s SER 45 Cb -0.14 -2.44 0.27 0.00 0.10 0.00 0.00 66.02 63.81 2qum s SER 45 CO 0.49 -3.20 1.76 0.44 0.98 0.00 0.00 173.24 173.71 2qum h ASP 46 N -1.93 0.87 -0.63 7.02 3.32 -1.96 -2.77 116.42 120.34 2qum h ASP 46 Ca -0.49 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 56.41 2qum h ASP 46 Cb 1.28 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 2qum h ASP 46 CO 0.47 0.89 0.37 0.00 -1.72 0.00 0.00 179.24 179.24 2qum h ALA 47 N 1.22 0.83 -0.57 3.45 0.00 -1.99 -0.53 119.26 121.67 2qum h ALA 47 Ca 0.18 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2qum h ALA 47 Cb 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2qum h ALA 47 CO 0.01 0.08 0.08 0.87 0.00 0.00 0.00 179.25 180.29 2qum h LYS 48 N 0.71 0.95 -0.28 0.00 1.57 -1.89 0.55 116.57 118.18 2qum h LYS 48 Ca 0.27 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2qum h LYS 48 Cb 0.09 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2qum h LYS 48 CO -0.14 0.92 0.11 0.87 -0.57 0.00 0.00 179.45 180.64 2qum h LYS 49 N 0.84 0.24 -0.37 3.15 1.57 -1.11 0.03 116.57 120.92 2qum h LYS 49 Ca 0.17 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2qum h LYS 49 Cb 0.43 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2qum h LYS 49 CO 0.01 0.16 -0.03 0.00 -0.57 0.00 0.00 179.45 179.02 2qum h ARG 50 N 0.25 0.60 -0.60 3.15 3.08 -0.92 -2.62 114.38 117.32 2qum h ARG 50 Ca 0.12 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2qum h ARG 50 Cb 0.07 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2qum h ARG 50 CO -0.11 0.65 0.32 1.49 -1.07 0.00 0.00 179.97 181.25 2qum h GLU 51 N 0.57 0.84 -0.85 0.04 4.81 -0.02 -1.12 114.58 118.85 2qum h GLU 51 Ca 0.11 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2qum h GLU 51 Cb 0.41 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2qum h GLU 51 CO 0.02 0.65 0.52 1.25 -0.73 0.00 0.00 179.01 180.72 2qum h LEU 52 N 0.81 1.01 -0.32 1.64 5.85 -0.66 -1.07 115.31 122.58 2qum h LEU 52 Ca 0.21 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2qum h LEU 52 Cb 0.07 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2qum h LEU 52 CO -0.03 0.77 0.08 0.50 -0.34 0.00 0.00 178.44 179.43 2qum h LYS 53 N 1.17 0.50 -0.19 1.25 3.64 -1.18 -0.78 116.57 120.97 2qum h LYS 53 Ca 0.31 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2qum h LYS 53 Cb -0.06 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2qum h LYS 53 CO -0.06 0.56 0.12 0.00 -2.27 0.00 0.00 179.45 177.81 2qum h ALA 54 N 0.92 0.25 -0.23 5.00 0.00 -0.93 0.14 119.26 124.41 2qum h ALA 54 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qum h ALA 54 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2qum h ALA 54 CO -0.00 -0.26 0.15 0.28 0.00 0.00 0.00 179.25 179.41 2qum h VAL 55 N 0.25 1.07 -0.17 0.00 2.07 -1.13 -0.98 116.25 117.36 2qum h VAL 55 Ca 0.07 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2qum h VAL 55 Cb -0.01 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2qum h VAL 55 CO -0.01 0.07 0.07 0.00 0.02 0.00 0.00 177.57 177.71 2qum h ALA 56 N 1.07 0.22 -0.91 1.67 0.00 -0.97 -1.00 119.26 119.34 2qum h ALA 56 Ca 0.08 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.00 2qum h ALA 56 Cb -0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2qum h ALA 56 CO -0.02 -0.20 0.56 -0.44 0.00 0.00 0.00 179.25 179.15 2qum h ASP 57 N 0.12 0.82 -0.34 0.00 3.45 -0.59 0.10 116.42 119.99 2qum h ASP 57 Ca 0.06 0.04 -0.10 0.00 0.43 0.00 0.00 57.03 57.46 2qum h ASP 57 Cb 0.16 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 2qum h ASP 57 CO -0.01 0.47 -0.14 -0.78 -1.57 0.00 0.00 179.24 177.21 2qum h ASP 58 N 0.92 0.78 0.52 6.45 1.82 -0.75 -2.17 116.42 124.00 2qum h ASP 58 Ca 0.44 -0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 2qum h ASP 58 Cb 0.38 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.17 2qum h ASP 58 CO -0.24 0.94 0.00 0.18 -1.61 0.00 0.00 179.24 178.50 2qum n LEU 59 N -4.15 0.00 -1.01 2.28 4.32 -0.42 -4.86 117.00 113.17 2qum n LEU 59 Ca 0.01 0.28 -0.11 0.00 -0.02 0.00 0.00 56.01 56.18 2qum n LEU 59 Cb 0.39 -0.28 -0.03 0.00 -1.62 0.00 0.00 43.42 41.88 2qum n LEU 59 CO 0.44 -0.02 -0.12 0.61 -1.22 0.00 0.00 177.39 177.07 2qum n GLY 60 N 1.08 0.59 3.71 -0.72 0.00 -0.21 -4.99 105.19 104.65 2qum n GLY 60 Ca 0.13 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 2qum n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qum s LEU 61 N -2.73 4.19 -0.03 0.99 2.96 0.19 -4.97 118.68 119.29 2qum s LEU 61 Ca 0.00 0.28 -0.22 0.00 -0.22 0.00 0.00 54.13 53.96 2qum s LEU 61 Cb 0.00 -2.18 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2qum s LEU 61 CO 0.00 0.12 0.66 -0.89 -1.32 0.00 0.00 176.35 174.92 2qum s THR 62 N 0.59 4.95 -0.12 3.68 2.01 -0.70 -4.23 115.64 121.82 2qum s THR 62 Ca 0.10 1.38 -0.01 0.00 0.31 0.00 0.00 61.69 63.47 2qum s THR 62 Cb -0.12 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 2qum s THR 62 CO 0.01 0.33 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.48 2qum s VAL 63 N 0.29 3.31 0.31 3.82 1.01 -1.26 -0.85 120.40 127.02 2qum s VAL 63 Ca 0.35 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.82 2qum s VAL 63 Cb -0.18 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 2qum s VAL 63 CO 0.18 0.53 -0.05 0.00 0.00 0.00 0.00 175.10 175.76 2qum s MET 64 N 0.16 1.68 0.19 2.72 0.23 -0.53 -3.86 119.30 119.88 2qum s MET 64 Ca -0.05 -1.87 0.06 0.00 -1.03 0.00 0.00 55.69 52.80 2qum s MET 64 Cb -0.15 -1.34 -0.05 0.00 -1.53 0.00 0.00 34.83 31.77 2qum s MET 64 CO 0.04 0.04 -0.11 0.00 -2.03 0.00 0.00 175.02 172.96 2qum s ILE 67 N -4.00 0.04 -0.32 0.00 1.10 -0.60 -1.13 121.20 116.28 2qum s ILE 67 Ca 0.20 -0.38 -0.01 0.00 -0.51 0.00 0.00 60.65 59.95 2qum s ILE 67 Cb 0.03 -1.17 0.10 0.00 0.15 0.00 0.00 42.46 41.58 2qum s ILE 67 CO 0.03 -0.16 0.12 -0.83 -2.11 0.00 0.00 174.94 171.98 2qum s GLY 68 N -2.79 1.07 0.19 1.50 0.00 -1.26 -0.90 107.32 105.14 2qum s GLY 68 Ca 0.03 -1.72 -0.33 0.00 0.00 0.00 0.00 44.72 42.71 2qum s GLY 68 CO -0.11 1.66 1.48 1.04 0.00 0.00 0.00 173.10 177.17 2qum n LEU 69 N 4.74 3.00 -4.81 0.66 4.77 -1.06 -4.62 117.00 119.68 2qum n LEU 69 Ca -0.01 1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.77 2qum n LEU 69 Cb 0.41 -1.41 0.04 0.00 -2.33 0.00 0.00 43.42 40.13 2qum n LEU 69 CO 0.12 -0.44 0.71 -0.54 -1.33 0.00 0.00 177.39 175.91 2qum s LYS 70 N 0.25 2.99 0.38 3.23 1.02 -1.26 -0.49 119.74 125.87 2qum s LYS 70 Ca 0.74 1.05 0.14 0.00 0.02 0.00 0.00 55.97 57.91 2qum s LYS 70 Cb -0.68 -1.99 0.96 0.00 -0.52 0.00 0.00 37.83 35.60 2qum s LYS 70 CO 0.44 -1.06 1.85 1.03 -0.92 0.00 0.00 175.35 176.69 2qum h SER 71 N -0.41 0.53 0.34 2.83 0.87 -1.93 0.17 113.55 115.95 2qum h SER 71 Ca -0.45 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2qum h SER 71 Cb 1.21 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2qum h SER 71 CO 0.56 0.22 0.00 -1.84 -0.53 0.00 0.00 176.83 175.25 2qum n GLU 72 N -4.56 0.11 -0.24 2.24 0.28 -1.26 -2.27 120.64 114.93 2qum n GLU 72 Ca 0.19 0.21 0.09 0.00 -0.16 0.00 0.00 57.16 57.49 2qum n GLU 72 Cb 0.62 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 32.16 2qum n GLU 72 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2qum n TYR 73 N -1.37 0.03 -1.57 -1.84 0.53 0.59 -4.42 117.16 109.12 2qum n TYR 73 Ca 0.05 -1.15 -0.41 0.00 -1.02 0.00 0.00 57.90 55.37 2qum n TYR 73 Cb 0.13 -0.19 -0.04 0.00 -1.03 0.00 0.00 39.34 38.21 2qum n TYR 73 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 2qum n ASP 74 N -1.32 2.78 0.29 7.72 -0.08 -0.96 -4.41 116.55 120.56 2qum n ASP 74 Ca 0.17 -0.04 0.16 0.00 -1.51 0.00 0.00 54.79 53.58 2qum n ASP 74 Cb 0.67 -1.53 0.93 0.00 2.34 0.00 0.00 41.12 43.53 2qum n ASP 74 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2qum h PHE 75 N 16.46 0.00 -0.24 -0.67 -1.00 -1.86 -2.56 116.94 127.07 2qum h PHE 75 Ca -0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.45 2qum h PHE 75 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 2qum h PHE 75 CO 0.95 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 177.65 2qum n ALA 76 N -2.29 2.45 -1.78 2.45 0.00 -1.26 -3.56 120.51 116.51 2qum n ALA 76 Ca -0.02 -0.84 -0.41 0.00 0.00 0.00 0.00 53.44 52.16 2qum n ALA 76 Cb 0.12 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 2qum n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qum s SER 77 N -1.69 6.42 0.00 0.00 0.15 -0.96 -4.72 113.70 112.90 2qum s SER 77 Ca 0.35 2.94 0.14 0.00 0.70 0.00 0.00 55.95 60.08 2qum s SER 77 Cb 0.22 -2.65 0.62 0.00 -1.71 0.00 0.00 66.02 62.49 2qum s SER 77 CO 0.31 -0.84 1.45 -0.81 1.20 0.00 0.00 173.24 174.54 2qum n PRO 78 N 1.32 0.03 -3.26 5.44 -0.04 -1.26 -4.54 135.00 132.68 2qum n PRO 78 Ca 0.04 0.24 -0.40 0.00 -0.04 0.00 0.00 63.50 63.34 2qum n PRO 78 Cb 0.39 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 2qum n PRO 78 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2qum s ASP 79 N -2.95 6.37 0.18 3.54 2.15 -1.26 -4.97 116.67 119.73 2qum s ASP 79 Ca 0.08 0.35 -0.14 0.00 0.43 0.00 0.00 52.55 53.27 2qum s ASP 79 Cb 0.09 -2.27 0.14 0.00 -0.30 0.00 0.00 42.92 40.59 2qum s ASP 79 CO 0.25 -0.32 1.75 0.50 -0.17 0.00 0.00 175.17 177.19 2qum h LYS 80 N 8.16 0.33 -0.39 4.34 3.11 -2.00 -1.97 116.57 128.15 2qum h LYS 80 Ca -0.29 -0.02 0.09 0.00 -2.81 0.00 0.00 60.65 57.62 2qum h LYS 80 Cb 1.14 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.28 2qum h LYS 80 CO 0.72 0.22 0.27 0.66 -2.81 0.00 0.00 179.45 178.50 2qum h SER 81 N 0.34 0.11 0.02 4.20 4.64 -1.95 0.28 113.55 121.18 2qum h SER 81 Ca 0.22 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.33 2qum h SER 81 Cb 0.22 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2qum h SER 81 CO -0.22 0.07 -0.84 0.58 -0.87 0.00 0.00 176.83 175.54 2qum h VAL 82 N 0.13 1.36 -0.55 0.95 2.07 -1.69 -1.89 116.25 116.63 2qum h VAL 82 Ca 0.18 -2.20 -0.08 0.00 0.82 0.00 0.00 66.70 65.42 2qum h VAL 82 Cb 0.55 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 2qum h VAL 82 CO -0.02 0.66 0.03 0.03 0.02 0.00 0.00 177.57 178.28 2qum h ARG 83 N 0.11 0.96 -0.43 1.57 3.08 -0.83 -1.73 114.38 117.10 2qum h ARG 83 Ca -0.11 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.63 2qum h ARG 83 Cb 1.54 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 2qum h ARG 83 CO 0.17 0.95 0.21 -0.44 -1.07 0.00 0.00 179.97 179.79 2qum h ASP 84 N 0.84 0.56 -0.55 7.04 3.45 -0.54 -0.62 116.42 126.61 2qum h ASP 84 Ca 0.16 -0.12 -0.03 0.00 0.43 0.00 0.00 57.03 57.47 2qum h ASP 84 Cb 0.50 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.10 2qum h ASP 84 CO 0.02 0.53 0.25 0.00 -1.57 0.00 0.00 179.24 178.47 2qum h ALA 85 N 1.06 1.33 -0.08 3.45 0.00 -1.21 -2.45 119.26 121.36 2qum h ALA 85 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2qum h ALA 85 Cb 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2qum h ALA 85 CO -0.02 0.51 -0.02 0.78 0.00 0.00 0.00 179.25 180.50 2qum h GLY 86 N 0.95 0.17 0.82 0.00 0.00 -0.81 -2.45 103.07 101.76 2qum h GLY 86 Ca 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.43 2qum h GLY 86 CO -0.02 0.13 0.32 -0.91 0.00 0.00 0.00 176.54 176.06 2qum h THR 87 N -0.17 1.03 -0.59 4.70 1.35 -0.96 -0.04 112.91 118.22 2qum h THR 87 Ca 0.02 -0.22 -0.06 0.00 -0.55 0.00 0.00 66.41 65.61 2qum h THR 87 Cb 0.42 0.34 -0.03 0.00 -1.73 0.00 0.00 68.15 67.15 2qum h THR 87 CO 0.01 0.12 0.14 -0.33 -0.25 0.00 0.00 175.52 175.21 2qum h GLU 88 N 0.63 0.92 -0.10 4.72 4.39 -1.47 -1.30 114.58 122.36 2qum h GLU 88 Ca 0.23 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2qum h GLU 88 Cb 0.07 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2qum h GLU 88 CO -0.12 0.82 0.04 -0.92 -1.16 0.00 0.00 179.01 177.67 2qum h TYR 89 N 0.88 0.16 -0.98 4.33 5.03 -0.89 -2.21 116.97 123.29 2qum h TYR 89 Ca 0.19 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.52 2qum h TYR 89 Cb 0.32 -0.05 -0.06 0.00 1.55 0.00 0.00 36.73 38.49 2qum h TYR 89 CO 0.02 0.26 0.65 0.28 -1.32 0.00 0.00 178.16 178.05 2qum h VAL 90 N 0.01 1.19 -0.85 1.81 2.07 -0.78 -0.11 116.25 119.57 2qum h VAL 90 Ca 0.03 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2qum h VAL 90 Cb 0.17 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 29.72 2qum h VAL 90 CO -0.00 0.23 0.57 0.11 0.02 0.00 0.00 177.57 178.49 2qum h LYS 91 N 1.26 1.12 -0.36 1.57 1.57 -1.01 0.21 116.57 120.93 2qum h LYS 91 Ca 0.38 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.99 2qum h LYS 91 Cb -0.03 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 2qum h LYS 91 CO -0.11 0.74 -0.20 0.00 -0.57 0.00 0.00 179.45 179.30 2qum h ARG 92 N 1.15 0.70 -0.22 3.15 2.47 -0.53 -1.37 114.38 119.72 2qum h ARG 92 Ca 0.32 -0.26 -0.10 0.00 -1.26 0.00 0.00 59.98 58.68 2qum h ARG 92 Cb -0.12 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 2qum h ARG 92 CO -0.07 0.85 -0.28 -0.07 0.56 0.00 0.00 179.97 180.96 2qum h LEU 93 N 0.62 0.43 -0.92 3.04 3.38 0.33 -2.20 115.31 119.98 2qum h LEU 93 Ca 0.09 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2qum h LEU 93 Cb 0.68 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2qum h LEU 93 CO 0.05 0.70 -0.43 -0.07 0.09 0.00 0.00 178.44 178.78 2qum h LEU 94 N 0.37 0.24 -1.01 1.67 3.38 -0.13 -1.72 115.31 118.12 2qum h LEU 94 Ca 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2qum h LEU 94 Cb 0.69 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2qum h LEU 94 CO 0.05 0.65 0.39 0.44 0.09 0.00 0.00 178.44 180.06 2qum h ASP 95 N 0.19 0.98 -0.59 -0.43 3.45 -0.70 0.50 116.42 119.81 2qum h ASP 95 Ca 0.01 -0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.34 2qum h ASP 95 Cb 0.85 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 39.34 2qum h ASP 95 CO 0.07 0.81 0.21 0.44 -1.57 0.00 0.00 179.24 179.20 2qum h ASP 96 N 1.09 0.84 -0.14 6.45 3.32 -0.79 -0.34 116.42 126.85 2qum h ASP 96 Ca 0.27 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.14 2qum h ASP 96 Cb 0.07 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2qum h ASP 96 CO -0.04 0.80 0.06 0.00 -1.72 0.00 0.00 179.24 178.34 2qum h HIS 98 N 0.13 1.25 -0.82 0.00 -0.00 -0.69 0.17 115.15 115.19 2qum h HIS 98 Ca 0.06 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.41 2qum h HIS 98 Cb 0.03 -0.42 -0.04 0.00 -0.00 0.00 0.00 27.41 26.98 2qum h HIS 98 CO -0.10 0.80 0.38 1.25 -0.00 0.00 0.00 177.93 180.26 2qum h LEU 99 N 1.33 1.08 -0.65 0.26 6.46 -0.65 -2.32 115.31 120.83 2qum h LEU 99 Ca 0.35 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2qum h LEU 99 Cb -0.12 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.53 2qum h LEU 99 CO -0.07 0.92 0.00 0.18 -0.62 0.00 0.00 178.44 178.85 2qum n LEU 100 N -4.30 1.00 -2.46 2.25 4.77 -0.45 -4.91 117.00 112.91 2qum n LEU 100 Ca 0.08 -0.34 -0.21 0.00 -0.03 0.00 0.00 56.01 55.51 2qum n LEU 100 Cb 0.15 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2qum n LEU 100 CO 0.40 0.17 -0.19 0.61 -1.33 0.00 0.00 177.39 177.05 2qum n GLY 101 N 1.11 -0.47 3.71 -0.72 0.00 0.24 -4.73 105.19 104.34 2qum n GLY 101 Ca 0.20 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2qum n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qum s ALA 102 N -3.05 3.47 -0.40 4.61 0.00 0.34 -4.82 121.76 121.91 2qum s ALA 102 Ca 0.08 0.91 0.22 0.00 0.00 0.00 0.00 51.96 53.17 2qum s ALA 102 Cb -0.03 -3.49 0.33 0.00 0.00 0.00 0.00 23.12 19.92 2qum s ALA 102 CO 0.10 -0.55 1.60 -1.00 0.00 0.00 0.00 175.76 175.91 2qum h PRO 103 N 6.95 0.00 -4.40 0.00 0.13 -1.89 -3.44 132.00 129.34 2qum h PRO 103 Ca -0.41 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.46 2qum h PRO 103 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 2qum h PRO 103 CO 0.84 0.05 -0.73 0.08 -0.23 0.00 0.00 178.00 178.01 2qum s VAL 104 N -3.19 0.43 -0.32 1.56 1.01 -1.26 -1.18 120.40 117.45 2qum s VAL 104 Ca 0.07 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2qum s VAL 104 Cb 0.05 -0.49 0.10 0.00 0.00 0.00 0.00 36.38 36.05 2qum s VAL 104 CO 0.68 -0.31 0.08 0.12 0.00 0.00 0.00 175.10 175.67 2qum s PHE 105 N -1.14 2.32 0.24 5.22 5.36 0.07 -1.41 117.98 128.65 2qum s PHE 105 Ca -0.09 -2.10 0.01 0.00 -0.96 0.00 0.00 56.93 53.79 2qum s PHE 105 Cb -0.08 -2.06 0.01 0.00 -0.34 0.00 0.00 43.02 40.55 2qum s PHE 105 CO 0.00 -0.89 0.11 0.00 -1.46 0.00 0.00 175.22 172.98 2qum n ALA 106 N 4.67 0.31 0.00 11.12 0.00 0.97 -1.22 120.51 136.36 2qum n ALA 106 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2qum n ALA 106 Cb 0.42 0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.35 2qum n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qum n GLY 107 N 2.09 -1.83 3.47 0.00 0.00 -1.26 -1.56 105.19 106.10 2qum n GLY 107 Ca -0.05 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 2qum n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qum n LEU 108 N 0.00 5.18 -0.96 0.99 7.99 -0.08 -2.16 117.00 127.97 2qum n LEU 108 Ca 0.00 -4.02 0.09 0.00 -0.01 0.00 0.00 56.01 52.07 2qum n LEU 108 Cb 0.00 -1.72 0.24 0.00 -0.11 0.00 0.00 43.42 41.83 2qum n LEU 108 CO 0.00 0.33 0.70 0.35 -1.51 0.00 0.00 177.39 177.27 2qum n THR 109 N 6.00 0.65 -1.22 -5.08 -2.24 -1.26 -2.55 114.28 108.58 2qum n THR 109 Ca 0.48 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2qum n THR 109 Cb 0.45 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2qum n THR 109 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2qum n PHE 110 N 1.03 0.00 -3.82 4.78 -1.74 -1.26 -5.00 117.46 111.45 2qum n PHE 110 Ca 0.18 -0.02 -0.03 0.00 -0.56 0.00 0.00 57.45 57.02 2qum n PHE 110 Cb 0.45 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.44 2qum n PHE 110 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2qum s ALA 112 N -2.61 3.41 -0.12 0.00 0.00 -1.26 -3.74 121.76 117.44 2qum s ALA 112 Ca 0.18 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.43 2qum s ALA 112 Cb -0.02 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.16 2qum s ALA 112 CO 0.04 0.15 -0.16 -0.46 0.00 0.00 0.00 175.76 175.32 2qum s TRP 113 N -0.40 2.07 0.69 0.00 -0.00 0.36 -3.87 118.94 117.78 2qum s TRP 113 Ca 0.37 -1.01 -0.01 0.00 -0.00 0.00 0.00 56.10 55.45 2qum s TRP 113 Cb -0.21 -1.49 0.10 0.00 -0.00 0.00 0.00 33.47 31.87 2qum s TRP 113 CO 0.23 -0.52 0.96 -1.25 -0.00 0.00 0.00 176.95 176.37 2qum s PRO 114 N 1.03 1.90 -0.20 5.86 0.04 -1.26 -4.69 135.00 137.68 2qum s PRO 114 Ca -0.05 -0.92 -0.30 0.00 0.04 0.00 0.00 61.00 59.77 2qum s PRO 114 Cb -0.15 -2.33 0.15 0.00 0.04 0.00 0.00 34.50 32.21 2qum s PRO 114 CO -0.03 -1.29 1.13 -1.14 0.04 0.00 0.00 177.00 175.72 2qum s GLN 115 N -5.09 0.40 0.21 4.56 0.74 -0.36 -4.96 119.66 115.16 2qum s GLN 115 Ca 0.64 0.07 0.10 0.00 0.05 0.00 0.00 55.36 56.22 2qum s GLN 115 Cb -0.07 0.19 -0.05 0.00 1.10 0.00 0.00 33.01 34.18 2qum s GLN 115 CO 0.43 -0.13 -0.19 -1.12 -0.55 0.00 0.00 175.29 173.73 2qum s SER 116 N -1.18 3.06 0.82 6.67 0.01 -1.26 -3.65 113.70 118.18 2qum s SER 116 Ca 0.03 -0.95 -0.13 0.00 1.31 0.00 0.00 55.95 56.21 2qum s SER 116 Cb -0.01 -0.21 0.09 0.00 0.21 0.00 0.00 66.02 66.10 2qum s SER 116 CO -0.02 -0.01 1.20 -2.84 0.41 0.00 0.00 173.24 171.97 2qum s PRO 117 N -3.17 1.55 0.46 12.44 0.02 -1.26 -4.94 135.00 140.10 2qum s PRO 117 Ca 0.22 1.73 -0.24 0.00 0.02 0.00 0.00 61.00 62.73 2qum s PRO 117 Cb -0.05 -1.77 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 2qum s PRO 117 CO 0.10 -2.28 1.26 -2.14 -0.33 0.00 0.00 177.00 173.61 2qum s PRO 118 N -4.21 3.69 0.41 5.54 0.02 -1.26 -4.86 135.00 134.33 2qum s PRO 118 Ca 0.72 2.02 0.26 0.00 0.02 0.00 0.00 61.00 64.02 2qum s PRO 118 Cb -0.28 -2.50 1.37 0.00 0.02 0.00 0.00 34.50 33.11 2qum s PRO 118 CO 0.52 -0.68 1.61 -0.07 -0.33 0.00 0.00 177.00 178.05 2qum h LEU 119 N 2.15 0.30 -6.17 -5.54 3.38 -2.08 -1.43 115.31 105.91 2qum h LEU 119 Ca -0.50 0.18 -0.79 0.00 0.09 0.00 0.00 57.88 56.86 2qum h LEU 119 Cb 1.26 0.17 -0.28 0.00 0.09 0.00 0.00 40.66 41.89 2qum h LEU 119 CO 0.60 -0.25 0.90 -0.90 0.09 0.00 0.00 178.44 178.88 2qum n ASP 120 N -4.89 7.13 -4.05 -0.43 3.85 -1.26 -4.94 116.55 111.96 2qum n ASP 120 Ca 0.37 -3.69 -0.32 0.00 -0.71 0.00 0.00 54.79 50.44 2qum n ASP 120 Cb 1.35 -1.12 -0.15 0.00 -1.35 0.00 0.00 41.12 39.85 2qum n ASP 120 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 2qum s MET 121 N -4.26 1.79 -0.22 0.11 1.75 -0.54 -4.92 119.30 113.00 2qum s MET 121 Ca 0.40 -1.68 0.11 0.00 -1.25 0.00 0.00 55.69 53.26 2qum s MET 121 Cb 0.20 -3.14 -0.22 0.00 2.84 0.00 0.00 34.83 34.52 2qum s MET 121 CO -0.13 -0.82 -0.05 1.63 -0.65 0.00 0.00 175.02 175.00 2qum n LYS 122 N 4.35 0.67 -3.94 4.11 4.01 -1.26 -4.88 118.16 121.22 2qum n LYS 122 Ca -0.03 0.06 -0.29 0.00 -0.51 0.00 0.00 58.31 57.55 2qum n LYS 122 Cb 0.42 -1.52 -0.16 0.00 -0.51 0.00 0.00 35.03 33.25 2qum n LYS 122 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2qum s ASP 123 N -5.95 2.91 0.00 4.39 3.68 -1.26 -5.01 116.67 115.43 2qum s ASP 123 Ca -0.21 -0.67 0.29 0.00 2.13 0.00 0.00 52.55 54.09 2qum s ASP 123 Cb 0.07 -1.03 1.17 0.00 -1.45 0.00 0.00 42.92 41.68 2qum s ASP 123 CO 0.73 -0.15 1.81 2.29 0.13 0.00 0.00 175.17 179.98 2qum n LYS 124 N 4.82 1.48 -0.10 4.34 2.85 -1.26 -4.28 118.16 126.01 2qum n LYS 124 Ca -0.13 -0.77 -0.06 0.00 -1.05 0.00 0.00 58.31 56.30 2qum n LYS 124 Cb 0.48 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 2qum n LYS 124 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2qum h ARG 125 N 1.87 -0.10 -1.00 -1.58 9.65 -1.99 -1.24 114.38 119.99 2qum h ARG 125 Ca 0.00 0.01 0.16 0.00 -1.10 0.00 0.00 59.98 59.04 2qum h ARG 125 Cb 0.42 0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 28.93 2qum h ARG 125 CO 0.00 -0.06 0.62 -1.35 2.80 0.00 0.00 179.97 181.97 2qum h PRO 126 N -0.10 0.85 -0.17 0.20 0.11 -2.00 0.15 132.00 131.04 2qum h PRO 126 Ca 0.18 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.11 2qum h PRO 126 Cb 0.37 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.29 2qum h PRO 126 CO -0.42 0.56 -0.39 1.88 -0.21 0.00 0.00 178.00 179.42 2qum h TYR 127 N 0.88 0.72 -0.56 0.65 -1.99 -1.65 -2.10 116.97 112.92 2qum h TYR 127 Ca 0.54 -0.27 0.00 0.00 2.00 0.00 0.00 58.73 61.00 2qum h TYR 127 Cb 0.70 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.27 2qum h TYR 127 CO -0.01 1.02 0.35 0.28 -0.00 0.00 0.00 178.16 179.80 2qum h VAL 128 N 0.21 1.16 -0.76 -2.88 2.07 -0.54 0.20 116.25 115.72 2qum h VAL 128 Ca -0.00 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2qum h VAL 128 Cb 1.00 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2qum h VAL 128 CO 0.09 0.16 0.37 0.44 0.02 0.00 0.00 177.57 178.65 2qum h ASP 129 N 0.76 0.98 -0.52 0.57 3.45 -0.73 0.77 116.42 121.70 2qum h ASP 129 Ca 0.20 -0.13 -0.10 0.00 0.43 0.00 0.00 57.03 57.43 2qum h ASP 129 Cb -0.04 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.46 2qum h ASP 129 CO -0.04 0.83 -0.07 0.03 -1.57 0.00 0.00 179.24 178.42 2qum h ARG 130 N 1.06 0.97 -0.76 3.56 3.08 -0.99 -1.13 114.38 120.17 2qum h ARG 130 Ca 0.26 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2qum h ARG 130 Cb 0.10 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 2qum h ARG 130 CO -0.03 1.01 0.35 0.00 -1.07 0.00 0.00 179.97 180.23 2qum h ALA 131 N 0.92 1.18 -0.39 0.04 0.00 -0.53 -0.50 119.26 119.98 2qum h ALA 131 Ca 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2qum h ALA 131 Cb 0.62 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2qum h ALA 131 CO 0.04 0.61 0.10 0.82 0.00 0.00 0.00 179.25 180.82 2qum h ILE 132 N 1.09 1.23 -0.68 0.00 2.04 -0.58 -2.02 117.51 118.59 2qum h ILE 132 Ca 0.26 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 2qum h ILE 132 Cb 0.13 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2qum h ILE 132 CO -0.03 0.27 0.39 -0.33 0.00 0.00 0.00 178.15 178.44 2qum h GLU 133 N 0.49 0.93 -0.82 2.37 4.39 -0.73 -1.24 114.58 119.97 2qum h GLU 133 Ca 0.12 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2qum h GLU 133 Cb 0.31 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 2qum h GLU 133 CO 0.00 0.68 0.38 0.77 -1.16 0.00 0.00 179.01 179.68 2qum h SER 134 N 0.92 1.09 -0.32 1.42 0.02 -0.96 -1.73 113.55 114.00 2qum h SER 134 Ca 0.24 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 2qum h SER 134 Cb 0.01 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 2qum h SER 134 CO -0.04 0.93 -0.14 0.58 -1.14 0.00 0.00 176.83 177.01 2qum h VAL 135 N 1.18 1.26 0.00 2.27 2.07 -0.96 -2.36 116.25 119.71 2qum h VAL 135 Ca 0.28 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2qum h VAL 135 Cb 0.14 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2qum h VAL 135 CO -0.03 0.41 -0.09 0.03 0.02 0.00 0.00 177.57 177.91 2qum h ARG 136 N 0.69 0.00 0.00 1.57 3.08 -0.66 0.11 114.38 119.16 2qum h ARG 136 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2qum h ARG 136 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2qum h ARG 136 CO 0.04 0.09 0.00 0.00 -1.07 0.00 0.00 179.97 179.03 2qum h ARG 137 N 0.00 0.00 0.00 0.04 3.08 -0.78 -3.33 114.38 113.39 2qum h ARG 137 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qum h ARG 137 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2qum h ARG 137 CO 0.01 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.24 2qum n VAL 138 N -2.75 0.00 0.20 2.04 0.24 -0.94 -4.79 118.33 112.33 2qum n VAL 138 Ca 0.04 -0.45 0.07 0.00 -2.04 0.00 0.00 64.34 61.96 2qum n VAL 138 Cb 0.45 1.01 0.59 0.00 -1.47 0.00 0.00 33.84 34.41 2qum n VAL 138 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 2qum h ILE 139 N 0.01 1.03 0.00 1.34 6.09 -0.92 -2.45 117.51 122.61 2qum h ILE 139 Ca 0.00 -0.05 -0.06 0.00 -1.37 0.00 0.00 64.86 63.38 2qum h ILE 139 Cb 0.00 0.88 -0.01 0.00 0.47 0.00 0.00 36.82 38.16 2qum h ILE 139 CO 0.00 0.03 -0.29 0.50 -3.07 0.00 0.00 178.15 175.32 2qum h LYS 140 N 0.14 0.00 -0.49 2.19 3.64 -1.85 -1.84 116.57 118.35 2qum h LYS 140 Ca 0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2qum h LYS 140 Cb -0.01 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2qum h LYS 140 CO -0.01 0.29 0.14 0.28 -2.27 0.00 0.00 179.45 177.88 2qum h VAL 141 N 0.00 1.21 -0.28 2.00 2.07 -1.80 -0.06 116.25 119.39 2qum h VAL 141 Ca -0.00 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 2qum h VAL 141 Cb 0.52 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2qum h VAL 141 CO 0.04 0.27 -0.23 0.00 0.02 0.00 0.00 177.57 177.66 2qum h ALA 142 N 1.44 0.40 0.03 1.67 0.00 -1.44 -2.40 119.26 118.95 2qum h ALA 142 Ca 0.16 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2qum h ALA 142 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2qum h ALA 142 CO -0.01 0.37 -0.10 0.93 0.00 0.00 0.00 179.25 180.45 2qum h GLU 143 N 0.38 -0.18 0.00 0.00 5.08 -0.83 1.00 114.58 120.03 2qum h GLU 143 Ca 0.05 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2qum h GLU 143 Cb 0.79 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2qum h GLU 143 CO 0.06 -0.12 -0.18 -0.44 -1.00 0.00 0.00 179.01 177.33 2qum h ASP 144 N -0.18 0.00 0.78 1.42 3.32 -1.04 -1.44 116.42 119.27 2qum h ASP 144 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2qum h ASP 144 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2qum h ASP 144 CO -0.08 0.18 -0.40 -1.22 -1.72 0.00 0.00 179.24 176.00 2qum n TYR 145 N -3.92 0.24 -3.14 4.55 0.53 -0.90 -4.94 117.16 109.58 2qum n TYR 145 Ca -0.02 0.07 -0.14 0.00 -1.02 0.00 0.00 57.90 56.79 2qum n TYR 145 Cb 0.27 -0.48 0.05 0.00 -1.03 0.00 0.00 39.34 38.15 2qum n TYR 145 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qum n GLY 146 N 1.44 0.05 3.34 2.72 0.00 0.13 -5.02 105.19 107.85 2qum n GLY 146 Ca 0.05 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2qum n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qum s ILE 147 N -3.19 2.68 0.01 -0.61 -1.09 0.04 -4.89 121.20 114.15 2qum s ILE 147 Ca 0.33 -0.82 -0.30 0.00 -2.23 0.00 0.00 60.65 57.63 2qum s ILE 147 Cb -0.15 -2.07 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 2qum s ILE 147 CO 0.44 0.55 1.13 -0.63 -1.23 0.00 0.00 174.94 175.20 2qum s ILE 148 N 0.03 4.35 -0.67 2.92 1.09 -0.32 -4.42 121.20 124.18 2qum s ILE 148 Ca -0.07 1.68 -0.12 0.00 -1.10 0.00 0.00 60.65 61.04 2qum s ILE 148 Cb -0.15 -4.08 0.17 0.00 -1.06 0.00 0.00 42.46 37.35 2qum s ILE 148 CO 0.05 0.10 0.59 -0.47 -0.10 0.00 0.00 174.94 175.10 2qum s TYR 149 N 1.34 3.53 0.12 3.97 6.14 0.15 -0.75 117.35 131.84 2qum s TYR 149 Ca 0.56 -1.89 -0.18 0.00 0.64 0.00 0.00 57.07 56.20 2qum s TYR 149 Cb -0.26 -3.68 -0.07 0.00 0.42 0.00 0.00 41.96 38.37 2qum s TYR 149 CO 0.27 -0.98 0.59 0.00 0.64 0.00 0.00 175.55 176.07 2qum s ALA 150 N 0.69 3.56 -0.32 3.97 0.00 -0.36 -1.21 121.76 128.09 2qum s ALA 150 Ca 0.12 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.05 2qum s ALA 150 Cb -0.19 -2.64 0.04 0.00 0.00 0.00 0.00 23.12 20.32 2qum s ALA 150 CO -0.04 0.40 0.07 -0.51 0.00 0.00 0.00 175.76 175.68 2qum s LEU 151 N -1.45 4.08 0.15 0.00 1.43 0.25 -4.13 118.68 119.01 2qum s LEU 151 Ca 0.33 -1.08 -0.27 0.00 -1.03 0.00 0.00 54.13 52.08 2qum s LEU 151 Cb -0.18 -1.82 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 2qum s LEU 151 CO 0.20 -0.28 0.84 -0.70 0.23 0.00 0.00 176.35 176.63 2qum s GLU 152 N 1.38 4.63 -0.40 1.70 2.12 -0.92 -0.45 118.70 126.76 2qum s GLU 152 Ca -0.02 1.25 -0.16 0.00 0.36 0.00 0.00 54.97 56.41 2qum s GLU 152 Cb -0.19 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.91 2qum s GLU 152 CO 0.01 0.45 0.36 0.08 -0.54 0.00 0.00 175.26 175.62 2qum s VAL 153 N -0.75 5.18 0.40 3.70 1.01 -0.52 -4.79 120.40 124.64 2qum s VAL 153 Ca 0.39 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.02 2qum s VAL 153 Cb -0.23 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2qum s VAL 153 CO 0.27 -0.32 0.19 0.68 0.00 0.00 0.00 175.10 175.93 2qum s VAL 154 N 1.91 2.42 0.89 2.92 -7.23 -1.25 -4.49 120.40 115.57 2qum s VAL 154 Ca 0.09 -1.67 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 2qum s VAL 154 Cb -0.18 -2.99 0.12 0.00 0.56 0.00 0.00 36.38 33.90 2qum s VAL 154 CO 0.12 -0.02 1.09 0.54 -0.31 0.00 0.00 175.10 176.52 2qum s ASN 155 N -3.92 3.54 0.57 4.85 2.20 -1.26 -4.31 114.94 116.62 2qum s ASN 155 Ca 0.41 1.47 0.28 0.00 -0.94 0.00 0.00 52.86 54.08 2qum s ASN 155 Cb 0.02 -2.15 1.52 0.00 -2.00 0.00 0.00 41.25 38.64 2qum s ASN 155 CO 0.23 -2.59 1.99 0.08 -2.94 0.00 0.00 177.10 173.87 2qum h ARG 156 N -1.52 0.00 0.00 3.55 0.11 -1.90 -1.66 114.38 112.96 2qum h ARG 156 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2qum h ARG 156 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2qum h ARG 156 CO 0.55 0.00 -0.16 1.19 0.10 0.00 0.00 179.97 181.65 2qum n PHE 157 N -3.91 0.45 -0.05 4.08 3.72 -1.26 -4.03 117.46 116.45 2qum n PHE 157 Ca 0.06 0.13 -0.04 0.00 -0.05 0.00 0.00 57.45 57.55 2qum n PHE 157 Cb 0.54 -0.67 -0.09 0.00 -0.94 0.00 0.00 39.48 38.32 2qum n PHE 157 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2qum n GLU 158 N -1.89 1.94 -3.89 -1.08 1.02 -0.67 -4.76 120.64 111.31 2qum n GLU 158 Ca 0.06 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 2qum n GLU 158 Cb 0.39 -1.29 -0.00 0.00 -0.02 0.00 0.00 31.44 30.52 2qum n GLU 158 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2qum s GLN 159 N -2.34 2.08 0.00 3.49 -0.44 -0.94 -1.22 119.66 120.29 2qum s GLN 159 Ca -0.05 -1.47 0.00 0.00 -2.50 0.00 0.00 55.36 51.34 2qum s GLN 159 Cb 0.04 0.57 0.00 0.00 -1.64 0.00 0.00 33.01 31.98 2qum s GLN 159 CO 0.47 -0.94 0.00 -2.67 0.50 0.00 0.00 175.29 172.65 2qum n TRP 160 N -0.52 0.00 0.04 1.67 4.27 -1.26 -4.09 117.44 117.55 2qum n TRP 160 Ca -0.05 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.44 2qum n TRP 160 Cb 0.60 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.47 2qum n TRP 160 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 2qum h LEU 161 N 0.00 -0.14 -7.35 5.67 3.38 -1.97 -3.42 115.31 111.48 2qum h LEU 161 Ca 0.00 -0.40 -0.57 0.00 0.09 0.00 0.00 57.88 57.00 2qum h LEU 161 Cb 0.16 0.04 -0.39 0.00 0.09 0.00 0.00 40.66 40.55 2qum h LEU 161 CO 0.00 0.39 -0.77 0.00 0.09 0.00 0.00 178.44 178.15 2qum n ASN 163 N 4.85 1.03 -4.13 0.00 5.03 -1.26 -3.76 115.26 117.02 2qum n ASN 163 Ca -0.07 -1.01 -0.09 0.00 0.87 0.00 0.00 54.58 54.28 2qum n ASN 163 Cb 0.44 0.82 -0.10 0.00 -1.02 0.00 0.00 39.78 39.92 2qum n ASN 163 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 2qum s ASP 164 N -2.25 0.37 0.23 6.41 3.84 -1.26 -4.69 116.67 119.31 2qum s ASP 164 Ca 0.08 -1.15 -0.07 0.00 -0.00 0.00 0.00 52.55 51.42 2qum s ASP 164 Cb 0.12 0.27 0.40 0.00 -1.38 0.00 0.00 42.92 42.32 2qum s ASP 164 CO 0.55 -0.69 1.70 0.00 -0.00 0.00 0.00 175.17 176.73 2qum h ALA 165 N 2.95 0.89 0.03 2.11 0.00 -1.95 -2.43 119.26 120.86 2qum h ALA 165 Ca -0.35 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2qum h ALA 165 Cb 1.18 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 2qum h ALA 165 CO 0.61 -0.29 -0.39 -0.22 0.00 0.00 0.00 179.25 178.95 2qum h LYS 166 N 0.31 -0.55 -0.63 0.00 3.64 -1.97 0.23 116.57 117.60 2qum h LYS 166 Ca 0.38 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.89 2qum h LYS 166 Cb 0.60 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.47 2qum h LYS 166 CO -0.44 -0.37 0.24 0.93 -2.27 0.00 0.00 179.45 177.54 2qum h GLU 167 N -0.57 0.42 -0.61 1.90 5.08 -1.85 -1.40 114.58 117.56 2qum h GLU 167 Ca 0.04 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2qum h GLU 167 Cb 0.64 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2qum h GLU 167 CO -0.28 0.28 0.08 0.00 -1.00 0.00 0.00 179.01 178.08 2qum h ALA 168 N 1.42 0.99 -0.75 3.43 0.00 -0.94 -1.63 119.26 121.79 2qum h ALA 168 Ca 0.32 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2qum h ALA 168 Cb 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2qum h ALA 168 CO -0.31 0.63 0.24 0.82 0.00 0.00 0.00 179.25 180.64 2qum h ILE 169 N 0.94 1.26 -0.54 0.00 1.08 0.08 0.72 117.51 121.04 2qum h ILE 169 Ca 0.19 -0.89 -0.07 0.00 -0.39 0.00 0.00 64.86 63.69 2qum h ILE 169 Cb 0.43 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 2qum h ILE 169 CO 0.01 0.35 0.05 0.00 -0.69 0.00 0.00 178.15 177.87 2qum h ALA 170 N 1.15 1.06 -0.05 1.87 0.00 -0.96 0.27 119.26 122.60 2qum h ALA 170 Ca 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qum h ALA 170 Cb 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qum h ALA 170 CO -0.01 0.60 0.01 0.35 0.00 0.00 0.00 179.25 180.19 2qum h PHE 171 N 0.83 0.09 -0.67 0.00 3.04 -0.69 -2.38 116.94 117.17 2qum h PHE 171 Ca 0.17 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 2qum h PHE 171 Cb 0.43 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.88 2qum h PHE 171 CO 0.03 0.31 0.39 0.00 -2.02 0.00 0.00 178.31 177.02 2qum h ALA 172 N 0.77 0.85 -0.11 2.41 0.00 -0.61 -2.11 119.26 120.46 2qum h ALA 172 Ca 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2qum h ALA 172 Cb 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qum h ALA 172 CO 0.00 0.34 -0.03 -0.44 0.00 0.00 0.00 179.25 179.12 2qum h ASP 173 N 0.91 0.14 -0.23 0.00 3.32 -0.88 0.17 116.42 119.85 2qum h ASP 173 Ca 0.24 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.08 2qum h ASP 173 Cb -0.01 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2qum h ASP 173 CO -0.04 0.20 -0.61 0.00 -1.72 0.00 0.00 179.24 177.07 2qum h ALA 174 N 1.82 0.45 -0.47 3.45 0.00 -0.87 -2.90 119.26 120.73 2qum h ALA 174 Ca 0.04 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2qum h ALA 174 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2qum h ALA 174 CO 0.01 0.68 0.04 0.28 0.00 0.00 0.00 179.25 180.26 2qum h VAL 175 N 0.62 1.26 -6.27 0.00 2.07 -0.76 -3.47 116.25 109.70 2qum h VAL 175 Ca -0.00 -0.99 -0.34 0.00 0.82 0.00 0.00 66.70 66.19 2qum h VAL 175 Cb 1.22 0.98 0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2qum h VAL 175 CO 0.13 0.35 -0.75 -0.67 0.02 0.00 0.00 177.57 176.65 2qum n ASP 176 N -4.40 -5.76 -3.93 0.57 2.03 0.52 -4.97 116.55 100.61 2qum n ASP 176 Ca 0.01 -0.73 -0.16 0.00 0.52 0.00 0.00 54.79 54.43 2qum n ASP 176 Cb 0.28 -3.01 -0.15 0.00 -0.72 0.00 0.00 41.12 37.52 2qum n ASP 176 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2qum s SER 177 N -3.09 0.52 0.61 1.67 0.15 -1.26 -5.03 113.70 107.27 2qum s SER 177 Ca 0.10 -0.08 0.30 0.00 0.70 0.00 0.00 55.95 56.98 2qum s SER 177 Cb -0.04 -0.09 1.69 0.00 -1.71 0.00 0.00 66.02 65.87 2qum s SER 177 CO 0.85 0.04 2.07 -0.65 1.20 0.00 0.00 173.24 176.75 2qum h PRO 178 N 6.19 0.00 0.00 5.44 0.11 -1.98 -1.30 132.00 140.46 2qum h PRO 178 Ca -0.29 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 2qum h PRO 178 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2qum h PRO 178 CO 0.50 0.00 -1.31 0.00 -0.21 0.00 0.00 178.00 176.98 2qum n ALA 179 N -2.25 2.47 -2.65 -0.75 0.00 -1.26 -4.87 120.51 111.20 2qum n ALA 179 Ca 0.02 -0.36 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 2qum n ALA 179 Cb 0.36 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 2qum n ALA 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qum s LYS 181 N 2.43 1.68 0.10 0.00 -0.14 -0.35 -4.68 119.74 118.77 2qum s LYS 181 Ca 0.33 -1.97 0.02 0.00 -1.36 0.00 0.00 55.97 52.99 2qum s LYS 181 Cb -0.16 -0.14 -0.04 0.00 -1.68 0.00 0.00 37.83 35.82 2qum s LYS 181 CO 0.09 -0.48 0.18 0.08 -0.76 0.00 0.00 175.35 174.47 2qum s VAL 182 N -3.51 5.01 -0.14 3.17 1.01 0.10 -0.58 120.40 125.46 2qum s VAL 182 Ca 0.34 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2qum s VAL 182 Cb 0.04 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.97 2qum s VAL 182 CO 0.18 0.04 -0.02 -1.58 0.00 0.00 0.00 175.10 173.72 2qum s GLN 183 N -2.74 1.05 0.37 2.72 0.74 0.41 0.19 119.66 122.40 2qum s GLN 183 Ca 0.33 -0.28 0.06 0.00 0.05 0.00 0.00 55.36 55.52 2qum s GLN 183 Cb -0.12 -1.68 -0.00 0.00 1.10 0.00 0.00 33.01 32.31 2qum s GLN 183 CO 0.26 -0.42 0.52 -0.51 -0.55 0.00 0.00 175.29 174.59 2qum s LEU 184 N 1.79 3.85 -0.17 3.68 1.43 -1.21 -1.44 118.68 126.61 2qum s LEU 184 Ca 0.02 -0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 2qum s LEU 184 Cb -0.14 -2.78 0.08 0.00 0.03 0.00 0.00 46.19 43.38 2qum s LEU 184 CO -0.07 -0.55 0.31 -0.62 0.23 0.00 0.00 176.35 175.65 2qum s ASP 185 N -4.22 0.31 0.48 2.29 -1.08 -1.26 -1.50 116.67 111.69 2qum s ASP 185 Ca 0.48 0.55 0.23 0.00 -0.52 0.00 0.00 52.55 53.28 2qum s ASP 185 Cb -0.10 0.87 1.25 0.00 -1.46 0.00 0.00 42.92 43.49 2qum s ASP 185 CO 0.32 -0.26 1.91 0.71 0.52 0.00 0.00 175.17 178.38 2qum h THR 186 N 6.25 0.68 -0.20 1.71 1.35 -1.70 0.38 112.91 121.38 2qum h THR 186 Ca -0.16 -0.07 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 2qum h THR 186 Cb 1.12 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 2qum h THR 186 CO 0.17 0.04 0.05 0.15 -0.25 0.00 0.00 175.52 175.68 2qum h PHE 187 N 0.22 0.33 -0.01 4.73 3.57 -1.79 -0.57 116.94 123.42 2qum h PHE 187 Ca 0.39 -0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.68 2qum h PHE 187 Cb 1.21 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 2qum h PHE 187 CO -0.00 0.43 -0.81 0.45 -2.23 0.00 0.00 178.31 176.15 2qum h HIS 188 N 0.14 0.19 -0.58 0.41 3.86 -1.44 -3.20 115.15 114.54 2qum h HIS 188 Ca 0.06 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 2qum h HIS 188 Cb 0.26 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2qum h HIS 188 CO 0.01 0.88 0.21 0.52 0.86 0.00 0.00 177.93 180.41 2qum h MET 189 N 0.08 0.88 0.00 2.45 2.86 -0.19 -2.09 114.93 118.93 2qum h MET 189 Ca -0.03 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2qum h MET 189 Cb 1.41 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.93 2qum h MET 189 CO 0.12 0.77 0.12 -0.97 1.06 0.00 0.00 176.91 178.01 2qum h ASN 190 N 0.81 0.00 0.00 1.22 -1.24 -1.09 0.19 115.58 115.47 2qum h ASN 190 Ca 0.19 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.94 2qum h ASN 190 Cb 0.24 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.25 2qum h ASN 190 CO -0.01 0.00 -1.63 -0.38 -1.29 0.00 0.00 177.43 174.12 2qum n ILE 191 N -2.97 1.51 0.01 2.57 5.41 -0.88 -4.75 119.36 120.27 2qum n ILE 191 Ca -0.03 -0.11 -0.12 0.00 1.00 0.00 0.00 62.75 63.50 2qum n ILE 191 Cb 0.18 -2.07 -0.14 0.00 -0.71 0.00 0.00 39.64 36.90 2qum n ILE 191 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2qum h GLU 192 N -1.00 0.08 -6.28 0.38 4.39 -1.23 -3.47 114.58 107.45 2qum h GLU 192 Ca -0.39 -0.14 -0.55 0.00 0.34 0.00 0.00 59.36 58.61 2qum h GLU 192 Cb 1.28 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.95 2qum h GLU 192 CO -0.24 0.79 0.34 -1.21 -1.16 0.00 0.00 179.01 177.54 2qum s GLU 193 N -2.62 4.50 0.23 2.33 0.41 0.65 -4.94 118.70 119.26 2qum s GLU 193 Ca -0.07 1.28 0.05 0.00 -0.41 0.00 0.00 54.97 55.82 2qum s GLU 193 Cb 0.08 -3.48 0.22 0.00 -1.78 0.00 0.00 34.13 29.17 2qum s GLU 193 CO 0.82 -0.08 1.54 0.00 -0.49 0.00 0.00 175.26 177.05 2qum h THR 194 N 4.86 1.41 -3.31 3.63 1.03 -1.92 -3.43 112.91 115.18 2qum h THR 194 Ca -0.39 -2.09 -0.38 0.00 -0.01 0.00 0.00 66.41 63.55 2qum h THR 194 Cb 1.20 2.08 -0.39 0.00 -1.07 0.00 0.00 68.15 69.98 2qum h THR 194 CO 0.77 0.61 -0.74 -0.55 -0.01 0.00 0.00 175.52 175.60 2qum s SER 195 N -6.89 1.17 0.07 0.00 0.15 -1.26 -5.03 113.70 101.91 2qum s SER 195 Ca -0.04 0.06 -0.27 0.00 0.70 0.00 0.00 55.95 56.40 2qum s SER 195 Cb 0.12 -0.18 -0.17 0.00 -1.71 0.00 0.00 66.02 64.08 2qum s SER 195 CO 0.80 -0.24 1.65 -0.26 1.20 0.00 0.00 173.24 176.39 2qum h PHE 196 N 8.38 -0.38 -0.18 3.44 -1.00 -1.93 -2.41 116.94 122.86 2qum h PHE 196 Ca -0.14 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.68 2qum h PHE 196 Cb 1.12 0.12 -0.06 0.00 3.61 0.00 0.00 35.95 40.74 2qum h PHE 196 CO 0.48 -0.21 -0.26 -0.09 -1.61 0.00 0.00 178.31 176.62 2qum h ARG 197 N -0.44 -0.29 -0.81 1.51 2.43 -1.95 -2.14 114.38 112.69 2qum h ARG 197 Ca -0.04 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2qum h ARG 197 Cb 0.33 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 2qum h ARG 197 CO 0.07 -0.19 0.45 -0.44 -1.51 0.00 0.00 179.97 178.35 2qum h ASP 198 N -0.30 1.00 -0.65 -3.80 3.32 -1.98 -0.56 116.42 113.47 2qum h ASP 198 Ca 0.12 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2qum h ASP 198 Cb 0.48 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2qum h ASP 198 CO -0.35 0.80 0.32 0.00 -1.72 0.00 0.00 179.24 178.28 2qum h ALA 199 N 1.36 0.83 -0.33 3.45 0.00 -1.10 -1.62 119.26 121.86 2qum h ALA 199 Ca 0.29 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2qum h ALA 199 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2qum h ALA 199 CO -0.05 0.39 -0.32 0.82 0.00 0.00 0.00 179.25 180.09 2qum h ILE 200 N 0.89 1.28 -0.05 0.00 1.08 -0.83 -2.97 117.51 116.91 2qum h ILE 200 Ca 0.22 -1.47 -0.09 0.00 -0.39 0.00 0.00 64.86 63.13 2qum h ILE 200 Cb 0.11 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 2qum h ILE 200 CO -0.03 0.48 -0.40 -0.07 -0.69 0.00 0.00 178.15 177.44 2qum h LEU 201 N 0.61 0.11 -0.93 1.44 3.38 -0.86 -2.49 115.31 116.57 2qum h LEU 201 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qum h LEU 201 Cb 0.85 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2qum h LEU 201 CO 0.07 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.11 2qum h ALA 202 N 1.50 1.00 -0.40 1.53 0.00 -1.14 -2.86 119.26 118.89 2qum h ALA 202 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qum h ALA 202 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2qum h ALA 202 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2qum n LYS 204 N 1.02 1.58 -0.83 0.00 4.81 -1.08 -0.73 118.16 122.93 2qum n LYS 204 Ca 0.18 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2qum n LYS 204 Cb 0.47 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.24 2qum n LYS 204 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qum n GLY 205 N 3.22 0.53 0.00 3.14 0.00 -1.26 -4.74 105.19 106.07 2qum n GLY 205 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2qum n GLY 205 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qum n LYS 206 N -1.88 0.98 -2.89 1.61 5.02 0.09 -5.02 118.16 116.07 2qum n LYS 206 Ca 0.00 -0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 55.05 2qum n LYS 206 Cb 0.04 -0.79 -0.04 0.00 -0.02 0.00 0.00 35.03 34.22 2qum n LYS 206 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2qum s MET 207 N -0.39 3.98 -0.00 1.97 1.75 -0.79 0.01 119.30 125.83 2qum s MET 207 Ca 0.00 0.68 0.22 0.00 -1.25 0.00 0.00 55.69 55.33 2qum s MET 207 Cb 0.00 -3.73 -0.26 0.00 2.84 0.00 0.00 34.83 33.68 2qum s MET 207 CO 0.00 -0.72 0.65 0.41 -0.65 0.00 0.00 175.02 174.72 2qum n GLY 208 N 4.13 -1.04 3.56 2.11 0.00 0.13 -4.84 105.19 109.25 2qum n GLY 208 Ca 0.05 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 2qum n GLY 208 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qum s HIS 209 N -3.36 -0.29 -0.17 1.61 5.65 -1.21 -4.66 115.29 112.86 2qum s HIS 209 Ca -0.03 0.12 -0.09 0.00 0.25 0.00 0.00 55.06 55.31 2qum s HIS 209 Cb 0.14 0.56 0.06 0.00 -1.18 0.00 0.00 32.58 32.17 2qum s HIS 209 CO 0.89 -0.60 0.41 0.12 -0.65 0.00 0.00 174.74 174.90 2qum s PHE 210 N -3.15 -0.63 -0.05 3.88 2.19 -1.15 -3.36 117.98 115.72 2qum s PHE 210 Ca 0.07 1.32 -0.02 0.00 0.33 0.00 0.00 56.93 58.63 2qum s PHE 210 Cb -0.01 0.27 -0.04 0.00 -1.31 0.00 0.00 43.02 41.93 2qum s PHE 210 CO -0.06 -0.37 0.05 -1.01 1.83 0.00 0.00 175.22 175.66 2qum s HIS 211 N 1.62 3.26 -0.10 10.12 3.76 -0.56 -1.06 115.29 132.34 2qum s HIS 211 Ca -0.08 0.23 0.02 0.00 -0.15 0.00 0.00 55.06 55.08 2qum s HIS 211 Cb -0.09 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.81 2qum s HIS 211 CO -0.13 0.54 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.62 2qum s LEU 212 N -1.35 2.49 -0.24 0.89 1.43 0.07 -2.09 118.68 119.89 2qum s LEU 212 Ca 0.18 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 52.64 2qum s LEU 212 Cb -0.12 -1.52 0.13 0.00 0.03 0.00 0.00 46.19 44.71 2qum s LEU 212 CO 0.08 0.21 1.04 -0.83 0.23 0.00 0.00 176.35 177.09 2qum s GLY 213 N 0.05 -0.16 1.18 -3.19 0.00 -1.26 -0.82 107.32 103.12 2qum s GLY 213 Ca -0.07 2.50 -0.20 0.00 0.00 0.00 0.00 44.72 46.95 2qum s GLY 213 CO 0.05 1.55 0.99 1.18 0.00 0.00 0.00 173.10 176.87 2qum n GLU 214 N 1.64 -3.27 -0.23 2.90 -0.58 -0.78 -3.63 120.64 116.69 2qum n GLU 214 Ca -0.11 -1.59 0.00 0.00 -0.42 0.00 0.00 57.16 55.04 2qum n GLU 214 Cb 0.57 -1.56 0.12 0.00 -0.57 0.00 0.00 31.44 29.99 2qum n GLU 214 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qum h ALA 215 N -2.82 0.92 -0.62 0.62 0.00 -1.91 -2.09 119.26 113.36 2qum h ALA 215 Ca -0.38 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.31 2qum h ALA 215 Cb 1.18 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 2qum h ALA 215 CO 0.25 -0.03 0.23 0.27 0.00 0.00 0.00 179.25 179.96 2qum n ASN 216 N -4.85 3.58 -1.08 0.00 0.23 -1.26 -4.94 115.26 106.93 2qum n ASN 216 Ca 0.10 -3.51 -0.11 0.00 -0.53 0.00 0.00 54.58 50.53 2qum n ASN 216 Cb 0.24 -0.71 -0.02 0.00 -2.08 0.00 0.00 39.78 37.20 2qum n ASN 216 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2qum n ARG 217 N -0.83 -0.84 -2.19 -3.83 1.74 -0.79 -4.89 116.66 105.04 2qum n ARG 217 Ca 0.41 0.70 -0.27 0.00 -0.77 0.00 0.00 57.85 57.92 2qum n ARG 217 Cb 1.29 -4.75 0.06 0.00 -1.02 0.00 0.00 32.46 28.04 2qum n ARG 217 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qum s LEU 218 N -2.90 2.90 0.22 0.55 1.43 -1.26 -1.76 118.68 117.85 2qum s LEU 218 Ca 0.00 0.61 -0.32 0.00 -1.03 0.00 0.00 54.13 53.39 2qum s LEU 218 Cb 0.00 -3.30 -0.13 0.00 0.03 0.00 0.00 46.19 42.79 2qum s LEU 218 CO 0.00 -1.47 1.57 -2.65 0.23 0.00 0.00 176.35 174.03 2qum n PRO 219 N -2.88 2.39 -1.67 1.29 -0.02 -1.26 -1.87 135.00 130.97 2qum n PRO 219 Ca 0.07 0.86 -0.45 0.00 -2.02 0.00 0.00 63.50 61.95 2qum n PRO 219 Cb 0.59 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 2qum n PRO 219 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2qum n PRO 220 N 2.93 2.03 0.00 0.52 -0.04 -1.26 -1.97 135.00 137.21 2qum n PRO 220 Ca 0.14 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 2qum n PRO 220 Cb 0.33 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 2qum n PRO 220 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qum n GLY 221 N 2.56 0.40 0.00 0.55 0.00 -1.26 -4.63 105.19 102.81 2qum n GLY 221 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 2qum n GLY 221 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qum n GLU 222 N -1.52 0.42 0.00 1.61 1.02 -0.83 -5.02 120.64 116.32 2qum n GLU 222 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2qum n GLU 222 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 2qum n GLU 222 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qum n GLY 223 N 1.44 5.47 0.43 0.62 0.00 -1.26 -5.06 105.19 106.82 2qum n GLY 223 Ca 0.02 -1.88 0.10 0.00 0.00 0.00 0.00 46.02 44.26 2qum n GLY 223 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qum n ARG 224 N 0.00 1.42 -1.64 1.61 1.85 -1.26 -5.02 116.66 113.62 2qum n ARG 224 Ca 0.00 -0.89 -0.38 0.00 -1.00 0.00 0.00 57.85 55.58 2qum n ARG 224 Cb 0.00 -1.38 0.05 0.00 -1.05 0.00 0.00 32.46 30.07 2qum n ARG 224 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2qum n LEU 225 N -0.10 3.92 -3.90 2.89 4.77 -1.26 -4.82 117.00 118.50 2qum n LEU 225 Ca 0.08 0.87 -0.40 0.00 -0.03 0.00 0.00 56.01 56.53 2qum n LEU 225 Cb 0.41 -1.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.03 2qum n LEU 225 CO 0.25 -1.56 2.11 -0.81 -1.33 0.00 0.00 177.39 176.06 2qum n PRO 226 N -0.86 1.95 -0.15 3.23 -0.04 -1.26 -4.79 135.00 133.08 2qum n PRO 226 Ca 0.12 -2.24 0.04 0.00 -0.04 0.00 0.00 63.50 61.38 2qum n PRO 226 Cb 0.46 -3.19 0.34 0.00 -0.04 0.00 0.00 33.50 31.06 2qum n PRO 226 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2qum h TRP 227 N 7.80 0.76 -0.55 0.54 4.06 -1.98 -0.96 115.95 125.63 2qum h TRP 227 Ca 0.42 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.37 2qum h TRP 227 Cb 0.73 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.61 2qum h TRP 227 CO 1.30 0.44 0.28 -0.44 -3.56 0.00 0.00 178.44 176.46 2qum h ASP 228 N 0.79 0.70 -0.21 -3.49 3.32 -1.99 -1.35 116.42 114.19 2qum h ASP 228 Ca 0.27 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2qum h ASP 228 Cb 0.08 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2qum h ASP 228 CO -0.08 0.61 0.09 -0.08 -1.72 0.00 0.00 179.24 178.07 2qum h GLU 229 N 0.73 0.31 0.61 3.56 4.81 -1.75 -0.30 114.58 122.55 2qum h GLU 229 Ca 0.19 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2qum h GLU 229 Cb 0.09 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2qum h GLU 229 CO -0.03 0.36 -0.41 0.82 -0.73 0.00 0.00 179.01 179.03 2qum h ILE 230 N 0.19 0.17 0.00 2.32 1.08 -0.95 -1.08 117.51 119.24 2qum h ILE 230 Ca 0.07 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.49 2qum h ILE 230 Cb 0.16 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.08 2qum h ILE 230 CO -0.01 0.00 -0.22 -0.26 -0.69 0.00 0.00 178.15 176.98 2qum h PHE 231 N -0.98 0.00 -0.34 1.37 -1.00 -1.29 -2.09 116.94 112.61 2qum h PHE 231 Ca -0.07 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.56 2qum h PHE 231 Cb 0.80 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.35 2qum h PHE 231 CO -0.13 0.22 -0.37 0.78 -1.61 0.00 0.00 178.31 177.20 2qum h GLY 232 N 1.67 0.88 1.23 -1.45 0.00 -0.85 -1.90 103.07 102.64 2qum h GLY 232 Ca -0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 47.33 46.32 2qum h GLY 232 CO 0.03 0.80 -0.23 0.00 0.00 0.00 0.00 176.54 177.14 2qum h ALA 233 N 0.90 0.78 -0.59 3.60 0.00 -0.70 -1.66 119.26 121.58 2qum h ALA 233 Ca 0.06 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2qum h ALA 233 Cb 0.93 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2qum h ALA 233 CO 0.09 0.66 0.03 -0.07 0.00 0.00 0.00 179.25 179.95 2qum h LEU 234 N 0.76 0.98 -0.67 0.00 3.38 -1.22 -2.39 115.31 116.15 2qum h LEU 234 Ca 0.10 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 2qum h LEU 234 Cb 0.77 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2qum h LEU 234 CO 0.06 1.01 -0.24 0.11 0.09 0.00 0.00 178.44 179.47 2qum h LYS 235 N 0.93 0.78 -0.50 1.13 1.57 -1.25 -1.37 116.57 117.86 2qum h LYS 235 Ca 0.18 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2qum h LYS 235 Cb 0.50 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2qum h LYS 235 CO 0.02 0.94 0.33 1.49 -0.57 0.00 0.00 179.45 181.67 2qum h GLU 236 N 0.67 0.65 -0.04 3.15 4.81 -0.91 -1.35 114.58 121.57 2qum h GLU 236 Ca 0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2qum h GLU 236 Cb 0.76 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2qum h GLU 236 CO 0.06 0.43 0.00 0.44 -0.73 0.00 0.00 179.01 179.21 2qum n ILE 237 N -4.46 0.02 -2.19 2.32 -5.35 -0.94 -4.96 119.36 103.80 2qum n ILE 237 Ca 0.05 -0.40 -0.11 0.00 -0.27 0.00 0.00 62.75 62.02 2qum n ILE 237 Cb 0.06 1.02 -0.01 0.00 -1.74 0.00 0.00 39.64 38.98 2qum n ILE 237 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qum n GLY 238 N 1.27 -0.06 3.65 3.28 0.00 -0.51 -4.54 105.19 108.29 2qum n GLY 238 Ca 0.16 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2qum n GLY 238 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qum s TYR 239 N -2.57 1.64 -0.24 1.61 6.14 -0.56 -4.83 117.35 118.54 2qum s TYR 239 Ca 0.00 -0.03 0.05 0.00 0.64 0.00 0.00 57.07 57.73 2qum s TYR 239 Cb 0.00 -4.06 0.12 0.00 0.42 0.00 0.00 41.96 38.44 2qum s TYR 239 CO 0.00 -4.51 1.09 -3.47 0.64 0.00 0.00 175.55 169.30 2qum n ASP 240 N 7.71 2.32 -2.50 4.32 2.03 -1.26 -4.85 116.55 124.31 2qum n ASP 240 Ca 0.19 -2.13 -0.06 0.00 0.52 0.00 0.00 54.79 53.31 2qum n ASP 240 Cb 0.42 -0.11 0.05 0.00 -0.72 0.00 0.00 41.12 40.76 2qum n ASP 240 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qum n GLY 241 N -0.34 -1.58 3.77 0.27 0.00 -1.26 -4.44 105.19 101.61 2qum n GLY 241 Ca 0.05 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 2qum n GLY 241 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qum s THR 242 N -1.58 3.19 -0.07 2.61 -4.23 -1.26 -3.82 115.64 110.48 2qum s THR 242 Ca 0.16 0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 61.60 2qum s THR 242 Cb -0.01 -3.50 0.03 0.00 1.34 0.00 0.00 72.50 70.36 2qum s THR 242 CO 0.12 0.04 0.01 -0.63 -0.54 0.00 0.00 174.62 173.62 2qum s ILE 243 N -1.49 0.29 -0.07 2.99 1.09 -0.50 -2.94 121.20 120.57 2qum s ILE 243 Ca 0.60 0.16 0.04 0.00 -1.10 0.00 0.00 60.65 60.35 2qum s ILE 243 Cb -0.29 -0.48 -0.00 0.00 -1.06 0.00 0.00 42.46 40.63 2qum s ILE 243 CO 0.36 0.23 -0.21 -0.69 -0.10 0.00 0.00 174.94 174.53 2qum s VAL 244 N 2.01 1.78 0.10 2.92 1.01 -0.22 0.18 120.40 128.18 2qum s VAL 244 Ca 0.05 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 2qum s VAL 244 Cb -0.12 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.65 2qum s VAL 244 CO -0.05 0.50 0.63 0.00 0.00 0.00 0.00 175.10 176.19 2qum s MET 245 N 0.21 4.31 -0.50 2.72 0.23 -0.61 -0.75 119.30 124.91 2qum s MET 245 Ca -0.11 0.87 0.06 0.00 -1.03 0.00 0.00 55.69 55.48 2qum s MET 245 Cb -0.15 -3.24 0.23 0.00 -1.53 0.00 0.00 34.83 30.14 2qum s MET 245 CO 0.05 0.61 0.55 -1.91 -2.03 0.00 0.00 175.02 172.30 2qum n GLU 246 N 1.65 1.26 -3.01 3.16 2.13 0.00 -1.49 120.64 124.35 2qum n GLU 246 Ca -0.09 -3.77 -0.40 0.00 0.66 0.00 0.00 57.16 53.56 2qum n GLU 246 Cb 0.50 -1.71 -0.05 0.00 0.27 0.00 0.00 31.44 30.45 2qum n GLU 246 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2qum s PRO 247 N -1.36 4.46 -0.27 5.31 0.02 -1.26 -4.80 135.00 137.11 2qum s PRO 247 Ca 0.35 0.98 0.01 0.00 0.02 0.00 0.00 61.00 62.37 2qum s PRO 247 Cb 0.12 -3.41 0.07 0.00 0.02 0.00 0.00 34.50 31.30 2qum s PRO 247 CO -0.11 0.16 -0.02 -0.06 -0.33 0.00 0.00 177.00 176.64 2qum s PHE 248 N 0.42 2.66 0.00 6.54 0.08 -0.72 -4.65 117.98 122.31 2qum s PHE 248 Ca 0.39 -2.05 0.00 0.00 0.12 0.00 0.00 56.93 55.39 2qum s PHE 248 Cb -0.19 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 2qum s PHE 248 CO 0.21 -0.83 0.05 -1.33 -0.10 0.00 0.00 175.22 173.22 2qum n MET 249 N 4.59 5.63 -4.33 0.44 2.81 -1.26 -4.76 117.12 120.23 2qum n MET 249 Ca -0.08 -0.05 -0.34 0.00 -1.81 0.00 0.00 57.70 55.41 2qum n MET 249 Cb 0.43 -0.52 -0.10 0.00 -0.71 0.00 0.00 33.22 32.32 2qum n MET 249 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2qum s ARG 250 N -0.82 3.39 0.59 0.03 0.52 -1.26 -1.07 118.95 120.34 2qum s ARG 250 Ca 0.00 -0.44 0.03 0.00 -0.52 0.00 0.00 55.73 54.80 2qum s ARG 250 Cb 0.00 -2.90 0.07 0.00 0.52 0.00 0.00 34.95 32.64 2qum s ARG 250 CO 0.00 0.46 0.82 -1.59 0.02 0.00 0.00 175.30 175.01 2qum s LYS 251 N -0.22 2.25 0.00 3.54 -2.85 -1.26 -4.48 119.74 116.72 2qum s LYS 251 Ca 0.05 -1.13 0.00 0.00 -1.00 0.00 0.00 55.97 53.89 2qum s LYS 251 Cb -0.12 -2.51 0.00 0.00 -2.06 0.00 0.00 37.83 33.14 2qum s LYS 251 CO 0.02 -0.92 0.00 0.41 0.10 0.00 0.00 175.35 174.96 2qum n GLY 252 N -2.41 3.10 3.06 0.59 0.00 -1.26 -4.96 105.19 103.30 2qum n GLY 252 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2qum n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qum n GLY 253 N -1.08 2.78 0.32 -0.02 0.00 -1.25 -4.98 105.19 100.95 2qum n GLY 253 Ca 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 46.02 43.71 2qum n GLY 253 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2qum h SER 254 N 0.51 0.88 -0.10 1.61 0.02 -1.83 -1.32 113.55 113.32 2qum h SER 254 Ca -0.28 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.55 2qum h SER 254 Cb 1.02 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2qum h SER 254 CO 0.43 0.81 0.01 0.58 -1.14 0.00 0.00 176.83 177.53 2qum h VAL 255 N 0.92 0.95 -0.26 2.27 2.07 -1.65 0.45 116.25 121.00 2qum h VAL 255 Ca 0.21 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.77 2qum h VAL 255 Cb 0.24 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 2qum h VAL 255 CO -0.01 0.01 -0.12 0.28 0.02 0.00 0.00 177.57 177.75 2qum h SER 256 N 0.05 -0.40 -0.71 0.57 0.02 -1.57 -1.20 113.55 110.32 2qum h SER 256 Ca 0.05 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 2qum h SER 256 Cb 0.05 0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 2qum h SER 256 CO -0.07 -0.15 0.40 -0.09 -1.14 0.00 0.00 176.83 175.78 2qum h ARG 257 N -0.08 0.70 -0.49 3.45 2.43 -0.69 -0.04 114.38 119.66 2qum h ARG 257 Ca 0.14 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 2qum h ARG 257 Cb 0.29 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2qum h ARG 257 CO -0.31 0.46 0.04 0.00 -1.51 0.00 0.00 179.97 178.65 2qum h ALA 258 N 1.37 1.15 -0.72 2.80 0.00 -0.04 -2.92 119.26 120.89 2qum h ALA 258 Ca 0.32 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qum h ALA 258 Cb 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qum h ALA 258 CO -0.19 0.56 0.00 1.33 0.00 0.00 0.00 179.25 180.94 2qum n VAL 259 N -4.24 1.11 -2.77 0.00 0.24 -0.54 -4.97 118.33 107.16 2qum n VAL 259 Ca 0.03 -1.01 -0.15 0.00 -2.04 0.00 0.00 64.34 61.17 2qum n VAL 259 Cb 0.28 0.43 0.02 0.00 -1.47 0.00 0.00 33.84 33.10 2qum n VAL 259 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qum n GLY 260 N 1.58 -0.13 3.42 7.63 0.00 -0.18 -4.97 105.19 112.55 2qum n GLY 260 Ca 0.25 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 2qum n GLY 260 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qum s VAL 261 N -2.97 4.69 -1.81 1.61 1.01 -0.33 -4.83 120.40 117.76 2qum s VAL 261 Ca 0.21 -1.09 0.22 0.00 0.00 0.00 0.00 61.98 61.32 2qum s VAL 261 Cb -0.09 -4.65 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 2qum s VAL 261 CO 0.25 -1.35 1.08 0.79 0.00 0.00 0.00 175.10 175.87 2qum n TRP 262 N 6.68 0.00 -3.94 5.22 5.03 -1.26 -4.43 117.44 124.74 2qum n TRP 262 Ca 0.05 0.00 -0.09 0.00 3.03 0.00 0.00 57.50 60.49 2qum n TRP 262 Cb 0.46 -0.01 -0.10 0.00 -1.03 0.00 0.00 31.31 30.63 2qum n TRP 262 CO 0.00 0.00 0.00 -0.98 -0.03 0.00 0.00 177.69 176.68 2qum s ARG 263 N -2.59 0.54 0.18 -0.99 1.70 -1.26 -5.01 118.95 111.52 2qum s ARG 263 Ca 0.17 -0.72 -0.32 0.00 -0.47 0.00 0.00 55.73 54.39 2qum s ARG 263 Cb 0.18 0.21 -0.11 0.00 -0.57 0.00 0.00 34.95 34.66 2qum s ARG 263 CO 0.63 -0.13 1.66 0.34 -1.08 0.00 0.00 175.30 176.73 2qum s ASP 264 N -1.98 6.47 0.00 -2.89 2.15 -1.26 -4.61 116.67 114.54 2qum s ASP 264 Ca -0.07 2.76 0.09 0.00 0.43 0.00 0.00 52.55 55.75 2qum s ASP 264 Cb -0.03 -2.60 -0.05 0.00 -0.30 0.00 0.00 42.92 39.95 2qum s ASP 264 CO -0.04 -0.91 0.47 0.23 -0.17 0.00 0.00 175.17 174.75 2qum n MET 265 N 4.08 3.24 0.00 4.34 2.81 -0.23 -4.60 117.12 126.76 2qum n MET 265 Ca 0.15 -0.26 0.13 0.00 -1.81 0.00 0.00 57.70 55.91 2qum n MET 265 Cb 0.37 -0.97 0.42 0.00 -0.71 0.00 0.00 33.22 32.32 2qum n MET 265 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2qum n SER 266 N -0.77 0.90 -2.16 7.83 3.41 -1.06 -4.94 113.62 116.82 2qum n SER 266 Ca 0.03 -0.80 -0.17 0.00 -0.26 0.00 0.00 58.87 57.67 2qum n SER 266 Cb 0.16 0.10 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 2qum n SER 266 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2qum n ASN 267 N -0.74 -4.93 -1.25 4.04 4.05 -1.26 -2.34 115.26 112.82 2qum n ASN 267 Ca 0.12 -0.15 -0.12 0.00 0.45 0.00 0.00 54.58 54.88 2qum n ASN 267 Cb 0.33 -3.88 -0.02 0.00 1.23 0.00 0.00 39.78 37.45 2qum n ASN 267 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2qum n GLY 268 N -1.23 0.28 3.76 8.20 0.00 -1.26 -4.97 105.19 109.97 2qum n GLY 268 Ca -0.12 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 2qum n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qum n ALA 269 N -0.78 2.00 -1.94 4.61 0.00 -0.99 -5.02 120.51 118.39 2qum n ALA 269 Ca -0.14 0.27 -0.26 0.00 0.00 0.00 0.00 53.44 53.32 2qum n ALA 269 Cb 0.55 -2.38 0.09 0.00 0.00 0.00 0.00 19.45 17.71 2qum n ALA 269 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qum s THR 270 N -1.18 2.23 0.33 0.00 -4.23 -1.26 -4.86 115.64 106.68 2qum s THR 270 Ca 0.59 -0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.84 2qum s THR 270 Cb -0.46 -2.92 0.14 0.00 1.34 0.00 0.00 72.50 70.59 2qum s THR 270 CO 0.59 0.00 1.85 0.44 -0.54 0.00 0.00 174.62 176.96 2qum h ASP 271 N -0.70 0.42 -0.35 3.99 3.45 -1.99 -0.15 116.42 121.10 2qum h ASP 271 Ca -0.43 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 56.92 2qum h ASP 271 Cb 1.29 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.94 2qum h ASP 271 CO 0.53 0.56 0.15 -0.33 -1.57 0.00 0.00 179.24 178.57 2qum h GLU 272 N 0.41 0.52 -0.98 3.56 4.39 -1.99 0.64 114.58 121.13 2qum h GLU 272 Ca 0.08 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2qum h GLU 272 Cb 0.43 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 2qum h GLU 272 CO 0.02 0.50 0.64 0.93 -1.16 0.00 0.00 179.01 179.94 2qum h GLU 273 N 0.42 1.31 -0.53 2.33 5.08 -1.79 -0.81 114.58 120.59 2qum h GLU 273 Ca 0.12 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2qum h GLU 273 Cb 0.17 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2qum h GLU 273 CO -0.01 0.88 0.26 0.52 -1.00 0.00 0.00 179.01 179.66 2qum h MET 274 N 1.34 0.76 0.14 2.33 2.86 -0.47 -1.79 114.93 120.09 2qum h MET 274 Ca 0.36 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.90 2qum h MET 274 Cb -0.13 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.38 2qum h MET 274 CO -0.07 0.61 -0.16 -0.44 1.06 0.00 0.00 176.91 177.91 2qum h ASP 275 N 0.71 -0.42 -0.54 1.22 3.32 -0.06 -0.97 116.42 119.67 2qum h ASP 275 Ca 0.18 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.33 2qum h ASP 275 Cb 0.10 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 2qum h ASP 275 CO -0.02 -0.24 0.26 -0.08 -1.72 0.00 0.00 179.24 177.43 2qum h GLU 276 N -0.33 0.47 -0.33 3.56 4.57 -1.05 0.11 114.58 121.57 2qum h GLU 276 Ca 0.01 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 2qum h GLU 276 Cb 0.33 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 2qum h GLU 276 CO -0.06 0.31 -0.07 0.00 -1.18 0.00 0.00 179.01 178.02 2qum h ARG 277 N 0.49 0.54 -0.31 1.92 3.08 -1.14 -0.26 114.38 118.71 2qum h ARG 277 Ca 0.25 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 2qum h ARG 277 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2qum h ARG 277 CO -0.19 0.62 -0.30 0.00 -1.07 0.00 0.00 179.97 179.02 2qum h ALA 278 N 1.42 0.90 -0.41 0.04 0.00 -0.06 -0.40 119.26 120.75 2qum h ALA 278 Ca 0.10 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2qum h ALA 278 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2qum h ALA 278 CO 0.02 0.62 -0.08 0.00 0.00 0.00 0.00 179.25 179.82 2qum h ARG 279 N 0.55 0.78 -0.45 0.00 3.08 -0.13 0.66 114.38 118.87 2qum h ARG 279 Ca 0.07 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 2qum h ARG 279 Cb 0.79 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2qum h ARG 279 CO 0.07 0.89 0.12 -0.09 -1.07 0.00 0.00 179.97 179.89 2qum h ARG 280 N 0.60 0.71 -0.52 0.04 2.43 -0.92 -0.77 114.38 115.94 2qum h ARG 280 Ca 0.11 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 2qum h ARG 280 Cb 0.59 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2qum h ARG 280 CO 0.04 0.70 -0.07 1.03 -1.51 0.00 0.00 179.97 180.15 2qum h SER 281 N 0.59 0.93 -0.23 -3.80 0.87 -0.94 0.46 113.55 111.43 2qum h SER 281 Ca 0.14 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2qum h SER 281 Cb 0.30 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2qum h SER 281 CO -0.00 1.03 0.12 0.25 -0.53 0.00 0.00 176.83 177.69 2qum h LEU 282 N 0.85 0.29 -0.56 2.23 5.85 -0.65 0.04 115.31 123.36 2qum h LEU 282 Ca 0.14 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2qum h LEU 282 Cb 0.60 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2qum h LEU 282 CO 0.04 0.31 0.34 -0.61 -0.34 0.00 0.00 178.44 178.18 2qum h GLN 283 N 0.24 0.75 -0.18 1.25 4.15 -0.93 -0.71 115.11 119.69 2qum h GLN 283 Ca 0.08 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.47 2qum h GLN 283 Cb 0.09 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 2qum h GLN 283 CO -0.01 0.54 -0.02 0.35 -1.93 0.00 0.00 178.83 177.76 2qum h PHE 284 N 0.75 -0.05 0.02 3.99 3.57 -0.60 -1.64 116.94 122.98 2qum h PHE 284 Ca 0.20 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2qum h PHE 284 Cb -0.03 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2qum h PHE 284 CO -0.03 -0.05 -0.01 0.28 -2.23 0.00 0.00 178.31 176.28 2qum h VAL 285 N 0.03 1.02 -0.90 1.41 2.07 -0.63 -2.59 116.25 116.66 2qum h VAL 285 Ca 0.08 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.59 2qum h VAL 285 Cb 0.11 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 2qum h VAL 285 CO -0.16 0.03 0.54 0.03 0.02 0.00 0.00 177.57 178.03 2qum h ARG 286 N -0.07 0.89 -0.86 1.57 3.08 -0.98 -0.75 114.38 117.25 2qum h ARG 286 Ca -0.00 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.02 2qum h ARG 286 Cb 0.06 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 2qum h ARG 286 CO 0.00 0.59 0.56 -0.44 -1.07 0.00 0.00 179.97 179.61 2qum h ASP 287 N 0.91 0.94 -0.19 7.04 3.45 -1.04 0.39 116.42 127.93 2qum h ASP 287 Ca 0.43 -0.01 -0.12 0.00 0.43 0.00 0.00 57.03 57.76 2qum h ASP 287 Cb 0.35 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 2qum h ASP 287 CO -0.24 0.66 -0.29 0.11 -1.57 0.00 0.00 179.24 177.91 2qum h LYS 288 N 1.10 0.68 0.00 3.56 1.79 -0.93 -1.93 116.57 120.84 2qum h LYS 288 Ca 0.34 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2qum h LYS 288 Cb -0.03 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2qum h LYS 288 CO -0.11 0.89 0.00 -0.07 -1.08 0.00 0.00 179.45 179.08 2qum h LEU 289 N 0.58 0.00 0.00 2.94 4.07 -0.40 -3.47 115.31 119.02 2qum h LEU 289 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2qum h LEU 289 Cb 0.79 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.53 2qum h LEU 289 CO 0.06 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.42