#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 6.53 -0.10 7.83 0.01 -1.26 -4.74 114.94 123.21 2qum s ASN 2 Ca 0.00 0.63 -0.30 0.00 -0.71 0.00 0.00 52.86 52.48 2qum s ASN 2 Cb 0.00 -2.24 -0.02 0.00 0.41 0.00 0.00 41.25 39.39 2qum s ASN 2 CO 0.00 -0.02 1.22 -0.54 -1.51 0.00 0.00 177.10 176.25 2qum s LYS 3 N 0.91 4.31 -0.19 -0.60 1.02 -1.26 -4.90 119.74 119.03 2qum s LYS 3 Ca 0.21 1.66 -0.12 0.00 0.02 0.00 0.00 55.97 57.74 2qum s LYS 3 Cb -0.14 -3.63 -0.05 0.00 -0.52 0.00 0.00 37.83 33.48 2qum s LYS 3 CO 0.08 -0.54 0.24 0.08 -0.92 0.00 0.00 175.35 174.28 2qum s VAL 4 N 2.70 5.33 0.36 3.17 1.01 -1.26 -1.45 120.40 130.27 2qum s VAL 4 Ca 0.55 0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.97 2qum s VAL 4 Cb -0.23 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2qum s VAL 4 CO 0.19 0.38 0.12 -0.83 0.00 0.00 0.00 175.10 174.96 2qum s GLY 5 N 0.58 2.35 -0.01 4.51 0.00 0.20 -1.36 107.32 113.58 2qum s GLY 5 Ca 0.13 -1.55 0.07 0.00 0.00 0.00 0.00 44.72 43.38 2qum s GLY 5 CO 0.03 -1.76 -0.24 -0.29 0.00 0.00 0.00 173.10 170.84 2qum s MET 6 N -3.78 1.90 0.35 2.90 -2.45 -0.89 -0.72 119.30 116.61 2qum s MET 6 Ca 0.30 -0.86 -0.27 0.00 -1.25 0.00 0.00 55.69 53.60 2qum s MET 6 Cb 0.05 -1.86 -0.09 0.00 1.25 0.00 0.00 34.83 34.18 2qum s MET 6 CO 0.15 0.51 1.15 0.12 1.05 0.00 0.00 175.02 178.01 2qum s PHE 7 N -0.57 3.25 0.41 4.11 5.36 -0.72 -2.47 117.98 127.35 2qum s PHE 7 Ca 0.09 1.59 0.33 0.00 -0.96 0.00 0.00 56.93 57.99 2qum s PHE 7 Cb -0.09 -3.37 1.69 0.00 -0.34 0.00 0.00 43.02 40.91 2qum s PHE 7 CO -0.01 -1.07 2.13 0.10 -1.46 0.00 0.00 175.22 174.91 2qum h TYR 8 N 3.11 0.00 -0.29 10.12 -0.00 -1.63 -2.93 116.97 125.35 2qum h TYR 8 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 2qum h TYR 8 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.95 2qum h TYR 8 CO 0.57 0.06 0.00 0.25 -0.00 0.00 0.00 178.16 179.04 2qum n THR 9 N -3.37 0.84 -0.26 -0.90 -2.24 -1.26 -4.49 114.28 102.59 2qum n THR 9 Ca -0.02 -0.53 0.05 0.00 -2.27 0.00 0.00 64.05 61.29 2qum n THR 9 Cb 0.21 -0.10 0.16 0.00 -2.10 0.00 0.00 70.33 68.49 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 1.83 -0.08 0.00 4.78 -0.00 -1.78 -2.39 116.97 119.33 2qum h TYR 10 Ca 0.00 0.06 -0.15 0.00 -0.00 0.00 0.00 58.73 58.64 2qum h TYR 10 Cb 0.81 0.16 -0.03 0.00 -0.00 0.00 0.00 36.73 37.67 2qum h TYR 10 CO 0.36 -0.26 -1.81 0.91 -0.00 0.00 0.00 178.16 177.36 2qum n TRP 11 N -5.37 0.42 -3.48 -3.82 8.01 -1.26 -4.85 117.44 107.09 2qum n TRP 11 Ca 0.14 0.14 -0.32 0.00 -1.31 0.00 0.00 57.50 56.15 2qum n TRP 11 Cb 0.49 -0.86 -0.05 0.00 -2.01 0.00 0.00 31.31 28.87 2qum n TRP 11 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2qum s SER 12 N -5.26 6.59 -0.00 -0.99 0.15 -0.90 -4.97 113.70 108.32 2qum s SER 12 Ca -0.06 0.84 0.11 0.00 0.70 0.00 0.00 55.95 57.54 2qum s SER 12 Cb 0.10 -2.19 0.32 0.00 -1.71 0.00 0.00 66.02 62.54 2qum s SER 12 CO 0.85 -0.04 1.27 0.35 1.20 0.00 0.00 173.24 176.86 2qum n THR 13 N -0.07 1.02 -4.53 6.45 -2.24 -1.26 -4.80 114.28 108.85 2qum n THR 13 Ca -0.00 -1.01 -0.22 0.00 -2.27 0.00 0.00 64.05 60.54 2qum n THR 13 Cb 0.52 0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.03 1.14 0.49 -0.78 0.41 -1.26 -1.65 118.70 116.03 2qum s GLU 14 Ca 0.24 -0.75 0.21 0.00 -0.41 0.00 0.00 54.97 54.26 2qum s GLU 14 Cb 0.13 -1.17 1.25 0.00 -1.78 0.00 0.00 34.13 32.57 2qum s GLU 14 CO 0.16 0.30 2.04 -1.49 -0.49 0.00 0.00 175.26 175.78 2qum h TRP 15 N 5.13 0.00 -3.30 1.61 4.06 -1.95 -3.41 115.95 118.09 2qum h TRP 15 Ca -0.39 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 59.98 2qum h TRP 15 Cb 1.17 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.25 2qum h TRP 15 CO 0.49 0.15 -0.18 1.41 -3.56 0.00 0.00 178.44 176.75 2qum s MET 16 N -4.41 4.30 0.30 0.49 1.75 -1.26 -4.78 119.30 115.69 2qum s MET 16 Ca -0.03 0.38 0.04 0.00 -1.25 0.00 0.00 55.69 54.82 2qum s MET 16 Cb 0.14 -3.42 -0.01 0.00 2.84 0.00 0.00 34.83 34.38 2qum s MET 16 CO 0.64 0.21 0.32 1.33 -0.65 0.00 0.00 175.02 176.86 2qum n VAL 17 N 3.54 0.00 -3.03 10.11 0.24 -1.26 -5.01 118.33 122.92 2qum n VAL 17 Ca -0.08 -1.97 -0.44 0.00 -2.04 0.00 0.00 64.34 59.81 2qum n VAL 17 Cb 0.52 1.05 -0.05 0.00 -1.47 0.00 0.00 33.84 33.89 2qum n VAL 17 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qum s ASP 18 N -3.03 6.20 0.07 -1.34 3.68 -1.26 -4.94 116.67 116.05 2qum s ASP 18 Ca 0.32 -1.14 -0.22 0.00 2.13 0.00 0.00 52.55 53.64 2qum s ASP 18 Cb 0.01 -2.34 -0.13 0.00 -1.45 0.00 0.00 42.92 39.00 2qum s ASP 18 CO 0.23 -1.18 1.59 -0.26 0.13 0.00 0.00 175.17 175.68 2qum h PHE 19 N 9.27 0.14 -0.36 -5.34 -1.00 -1.98 0.21 116.94 117.88 2qum h PHE 19 Ca -0.29 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.53 2qum h PHE 19 Cb 1.08 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 40.56 2qum h PHE 19 CO 0.86 0.27 0.09 -1.35 -1.61 0.00 0.00 178.31 176.57 2qum h PRO 20 N -0.03 0.22 -0.47 1.51 0.11 -1.94 0.20 132.00 131.60 2qum h PRO 20 Ca 0.03 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 2qum h PRO 20 Cb 0.19 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 2qum h PRO 20 CO -0.00 0.14 0.20 0.00 -0.21 0.00 0.00 178.00 178.13 2qum h ALA 21 N 1.26 0.61 -0.36 -0.75 0.00 -1.96 -1.21 119.26 116.85 2qum h ALA 21 Ca 0.17 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2qum h ALA 21 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2qum h ALA 21 CO -0.21 0.21 -0.03 1.15 0.00 0.00 0.00 179.25 180.37 2qum h THR 22 N 0.62 1.22 -0.32 0.00 2.02 -0.17 -1.52 112.91 114.76 2qum h THR 22 Ca 0.16 -0.90 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 2qum h THR 22 Cb 0.17 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2qum h THR 22 CO -0.02 0.31 -0.01 0.00 0.37 0.00 0.00 175.52 176.17 2qum h ALA 23 N 1.43 0.44 -0.73 6.16 0.00 -0.23 -1.90 119.26 124.41 2qum h ALA 23 Ca 0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2qum h ALA 23 Cb 0.40 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2qum h ALA 23 CO 0.02 0.20 0.22 0.87 0.00 0.00 0.00 179.25 180.56 2qum h LYS 24 N 0.37 1.14 -0.44 0.00 1.57 -0.91 -0.61 116.57 117.69 2qum h LYS 24 Ca 0.09 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 2qum h LYS 24 Cb 0.46 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2qum h LYS 24 CO 0.02 0.97 -0.05 -0.09 -0.57 0.00 0.00 179.45 179.74 2qum h ARG 25 N 1.09 0.81 -0.15 3.15 2.43 -1.20 0.11 114.38 120.63 2qum h ARG 25 Ca 0.24 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2qum h ARG 25 Cb 0.31 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2qum h ARG 25 CO -0.01 0.90 -0.04 0.82 -1.51 0.00 0.00 179.97 180.14 2qum h ILE 26 N 0.65 1.29 -0.97 1.20 2.04 -1.20 -2.87 117.51 117.66 2qum h ILE 26 Ca 0.12 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 65.00 2qum h ILE 26 Cb 0.56 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 2qum h ILE 26 CO 0.03 0.29 0.64 0.00 0.00 0.00 0.00 178.15 179.11 2qum h ALA 27 N 0.71 1.32 0.00 1.87 0.00 -1.06 -1.40 119.26 120.70 2qum h ALA 27 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qum h ALA 27 Cb 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qum h ALA 27 CO 0.02 0.62 0.00 0.78 0.00 0.00 0.00 179.25 180.66 2qum h GLY 28 N 1.29 0.00 1.06 0.00 0.00 -0.62 -1.43 103.07 103.37 2qum h GLY 28 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2qum h GLY 28 CO -0.08 0.00 -0.55 1.04 0.00 0.00 0.00 176.54 176.94 2qum n LEU 29 N -2.70 0.55 0.00 3.11 4.77 -0.53 -4.95 117.00 117.24 2qum n LEU 29 Ca -0.01 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2qum n LEU 29 Cb 0.14 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2qum n LEU 29 CO 0.18 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2qum n GLY 30 N 1.44 0.94 3.77 -0.72 0.00 -0.54 -4.82 105.19 105.26 2qum n GLY 30 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 3.40 -0.29 1.61 0.08 -1.20 -4.94 117.98 114.64 2qum s PHE 31 Ca 0.00 1.66 0.21 0.00 0.12 0.00 0.00 56.93 58.92 2qum s PHE 31 Cb 0.00 -3.25 0.13 0.00 -0.57 0.00 0.00 43.02 39.33 2qum s PHE 31 CO 0.00 -0.69 1.32 -0.44 -0.10 0.00 0.00 175.22 175.31 2qum h ASP 32 N 3.22 0.00 -5.16 1.36 3.32 -1.58 -3.42 116.42 114.16 2qum h ASP 32 Ca -0.47 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 2qum h ASP 32 Cb 1.22 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.60 2qum h ASP 32 CO 0.65 0.16 -0.59 -0.22 -1.72 0.00 0.00 179.24 177.51 2qum s LEU 33 N -5.95 2.12 -0.05 1.55 2.96 -1.05 -1.82 118.68 116.44 2qum s LEU 33 Ca 0.03 -0.78 0.00 0.00 -0.22 0.00 0.00 54.13 53.17 2qum s LEU 33 Cb 0.07 0.42 0.02 0.00 0.50 0.00 0.00 46.19 47.21 2qum s LEU 33 CO 0.74 -0.57 -0.03 -0.32 -1.32 0.00 0.00 176.35 174.85 2qum s MET 34 N -3.32 0.74 -0.20 1.98 -2.45 -0.18 -2.10 119.30 113.76 2qum s MET 34 Ca 0.01 -0.04 -0.08 0.00 -1.25 0.00 0.00 55.69 54.34 2qum s MET 34 Cb 0.03 -0.85 -0.04 0.00 1.25 0.00 0.00 34.83 35.22 2qum s MET 34 CO -0.08 -0.14 0.08 -2.00 1.05 0.00 0.00 175.02 173.92 2qum s GLU 35 N 1.19 3.93 0.06 4.11 2.12 -1.03 -1.03 118.70 128.06 2qum s GLU 35 Ca -0.07 -0.36 0.08 0.00 0.36 0.00 0.00 54.97 54.98 2qum s GLU 35 Cb -0.14 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 2qum s GLU 35 CO -0.02 0.16 -0.21 0.96 -0.54 0.00 0.00 175.26 175.62 2qum s ILE 36 N 0.68 1.68 0.23 -3.70 -5.25 -0.52 -1.49 121.20 112.83 2qum s ILE 36 Ca 0.04 -1.31 -0.25 0.00 -0.99 0.00 0.00 60.65 58.13 2qum s ILE 36 Cb -0.13 -1.48 -0.09 0.00 2.95 0.00 0.00 42.46 43.71 2qum s ILE 36 CO 0.02 0.12 0.84 -0.55 -1.79 0.00 0.00 174.94 173.57 2qum s SER 37 N -1.42 7.37 0.00 4.36 0.15 -1.26 -1.19 113.70 121.71 2qum s SER 37 Ca 0.07 1.72 0.11 0.00 0.70 0.00 0.00 55.95 58.54 2qum s SER 37 Cb -0.09 -2.53 0.30 0.00 -1.71 0.00 0.00 66.02 62.00 2qum s SER 37 CO 0.03 0.10 1.25 0.18 1.20 0.00 0.00 173.24 176.00 2qum n LEU 38 N 1.15 1.81 0.07 3.45 4.77 -0.84 -4.41 117.00 123.00 2qum n LEU 38 Ca -0.02 -0.90 -0.09 0.00 -0.03 0.00 0.00 56.01 54.96 2qum n LEU 38 Cb 0.49 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 2qum n LEU 38 CO 0.46 0.45 0.51 1.23 -1.33 0.00 0.00 177.39 178.71 2qum h GLY 39 N 5.26 -1.18 0.00 -0.72 0.00 -1.92 -2.17 103.07 102.34 2qum h GLY 39 Ca 0.00 0.58 -0.09 0.00 0.00 0.00 0.00 47.33 47.82 2qum h GLY 39 CO 0.00 -0.36 -0.52 0.83 0.00 0.00 0.00 176.54 176.49 2qum h GLU 40 N -0.41 0.00 -1.21 4.80 4.39 -1.87 -3.37 114.58 116.91 2qum h GLU 40 Ca -0.01 0.00 0.41 0.00 0.34 0.00 0.00 59.36 60.11 2qum h GLU 40 Cb 0.41 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.92 2qum h GLU 40 CO -0.14 0.93 0.75 0.35 -1.16 0.00 0.00 179.01 179.74 2qum h PHE 41 N -1.00 0.64 -0.37 4.33 3.57 -1.77 0.25 116.94 122.59 2qum h PHE 41 Ca -0.14 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.40 2qum h PHE 41 Cb 1.07 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2qum h PHE 41 CO 0.18 -0.24 0.25 1.25 -2.23 0.00 0.00 178.31 177.52 2qum h HIS 42 N 0.11 0.42 -0.01 0.41 2.76 -1.55 -2.04 115.15 115.26 2qum h HIS 42 Ca 0.81 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.99 2qum h HIS 42 Cb 2.36 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 31.18 2qum h HIS 42 CO -0.01 0.26 -0.10 0.09 -1.30 0.00 0.00 177.93 176.87 2qum n ASN 43 N -4.48 0.78 -4.77 3.26 3.02 0.87 -4.90 115.26 109.03 2qum n ASN 43 Ca 0.03 -0.92 -0.32 0.00 -0.03 0.00 0.00 54.58 53.34 2qum n ASN 43 Cb 0.11 -0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.35 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 -2.30 3.15 0.63 3.41 1.02 -0.77 -4.99 118.68 118.83 2qum s LEU 44 Ca 0.33 1.88 -0.18 0.00 0.02 0.00 0.00 54.13 56.18 2qum s LEU 44 Cb 0.20 -4.53 -0.02 0.00 0.02 0.00 0.00 46.19 41.87 2qum s LEU 44 CO 0.44 -1.89 1.22 -0.94 0.02 0.00 0.00 176.35 175.19 2qum s SER 45 N -3.13 4.91 0.00 2.29 1.04 -1.26 -4.82 113.70 112.74 2qum s SER 45 Ca 0.63 2.40 0.04 0.00 0.48 0.00 0.00 55.95 59.50 2qum s SER 45 Cb -0.18 -2.60 0.17 0.00 0.10 0.00 0.00 66.02 63.51 2qum s SER 45 CO 0.51 -1.78 1.12 -0.67 0.98 0.00 0.00 173.24 173.40 2qum n ASP 46 N -1.88 0.00 -0.01 7.02 4.64 -1.26 -1.60 116.55 123.46 2qum n ASP 46 Ca 0.14 0.50 -0.21 0.00 -1.38 0.00 0.00 54.79 53.84 2qum n ASP 46 Cb 0.50 -0.50 -0.14 0.00 -1.04 0.00 0.00 41.12 39.94 2qum n ASP 46 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2qum n ALA 47 N -1.50 0.96 -0.09 -1.67 0.00 -1.26 -3.54 120.51 113.41 2qum n ALA 47 Ca 0.01 -0.64 -0.11 0.00 0.00 0.00 0.00 53.44 52.70 2qum n ALA 47 Cb 0.04 -0.64 0.03 0.00 0.00 0.00 0.00 19.45 18.89 2qum n ALA 47 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2qum h LYS 48 N 0.06 0.82 -0.29 0.00 1.57 -1.66 -2.19 116.57 114.90 2qum h LYS 48 Ca -0.43 -0.42 0.01 0.00 -1.87 0.00 0.00 60.65 57.94 2qum h LYS 48 Cb 2.02 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 34.32 2qum h LYS 48 CO 0.07 1.05 0.16 0.87 -0.57 0.00 0.00 179.45 181.03 2qum h LYS 49 N 0.68 0.32 -0.03 3.15 1.57 -1.48 -1.61 116.57 119.17 2qum h LYS 49 Ca 0.06 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2qum h LYS 49 Cb 0.93 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 2qum h LYS 49 CO 0.09 0.21 -0.23 0.00 -0.57 0.00 0.00 179.45 178.94 2qum h ARG 50 N 0.33 0.05 -0.45 3.15 3.08 -1.59 -2.63 114.38 116.31 2qum h ARG 50 Ca 0.11 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.16 2qum h ARG 50 Cb 0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2qum h ARG 50 CO -0.06 0.28 0.30 1.49 -1.07 0.00 0.00 179.97 180.91 2qum h GLU 51 N 0.05 0.59 -0.20 0.04 4.81 -0.64 -1.40 114.58 117.82 2qum h GLU 51 Ca 0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2qum h GLU 51 Cb 0.44 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2qum h GLU 51 CO 0.03 0.39 0.13 1.25 -0.73 0.00 0.00 179.01 180.08 2qum h LEU 52 N 0.61 0.24 -0.97 1.64 5.85 -1.06 0.15 115.31 121.77 2qum h LEU 52 Ca 0.17 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2qum h LEU 52 Cb -0.07 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 2qum h LEU 52 CO -0.04 0.21 0.62 0.50 -0.34 0.00 0.00 178.44 179.39 2qum h LYS 53 N 0.26 1.11 0.17 1.25 1.63 -1.32 0.46 116.57 120.12 2qum h LYS 53 Ca 0.07 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2qum h LYS 53 Cb 0.01 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.39 2qum h LYS 53 CO -0.01 0.73 -0.08 0.00 -3.45 0.00 0.00 179.45 176.63 2qum h ALA 54 N 1.44 -0.23 -0.67 5.00 0.00 -0.94 0.18 119.26 124.03 2qum h ALA 54 Ca 0.42 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.23 2qum h ALA 54 Cb 0.15 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 2qum h ALA 54 CO -0.17 -0.40 0.26 0.28 0.00 0.00 0.00 179.25 179.21 2qum h VAL 55 N -0.68 0.73 -0.06 0.00 2.07 -0.69 0.30 116.25 117.91 2qum h VAL 55 Ca -0.02 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2qum h VAL 55 Cb 0.49 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2qum h VAL 55 CO 0.04 0.08 0.03 0.00 0.02 0.00 0.00 177.57 177.74 2qum h ALA 56 N 1.47 0.08 -0.71 1.67 0.00 -0.00 -1.23 119.26 120.53 2qum h ALA 56 Ca 0.35 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2qum h ALA 56 Cb 0.47 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2qum h ALA 56 CO -0.35 -0.35 0.45 -0.44 0.00 0.00 0.00 179.25 178.56 2qum h ASP 57 N -0.03 0.76 -0.06 0.00 3.45 0.24 0.82 116.42 121.60 2qum h ASP 57 Ca 0.02 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.44 2qum h ASP 57 Cb 0.13 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 2qum h ASP 57 CO -0.00 0.53 -0.03 -0.78 -1.57 0.00 0.00 179.24 177.38 2qum h ASP 58 N 0.90 0.23 1.56 6.45 -0.00 -0.21 -1.69 116.42 123.66 2qum h ASP 58 Ca 0.28 -0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.28 2qum h ASP 58 Cb -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 39.26 2qum h ASP 58 CO -0.10 0.31 -0.24 -0.07 -0.00 0.00 0.00 179.24 179.14 2qum h LEU 59 N 0.25 0.00 0.17 2.28 4.07 -0.07 -3.47 115.31 118.54 2qum h LEU 59 Ca 0.06 -0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 2qum h LEU 59 Cb 0.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 2qum h LEU 59 CO 0.01 0.01 -0.05 0.61 -1.08 0.00 0.00 178.44 177.94 2qum n GLY 60 N 1.19 0.48 3.73 0.83 0.00 0.11 -5.01 105.19 106.52 2qum n GLY 60 Ca 0.04 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.57 4.24 0.07 0.99 2.96 -0.18 -4.95 118.68 121.24 2qum s LEU 61 Ca 0.00 0.45 -0.20 0.00 -0.22 0.00 0.00 54.13 54.16 2qum s LEU 61 Cb 0.00 -2.31 -0.07 0.00 0.50 0.00 0.00 46.19 44.32 2qum s LEU 61 CO 0.00 0.13 0.58 -0.89 -1.32 0.00 0.00 176.35 174.85 2qum s THR 62 N 0.40 4.72 -0.14 3.68 2.01 -0.76 -4.34 115.64 121.21 2qum s THR 62 Ca 0.15 1.25 0.01 0.00 0.31 0.00 0.00 61.69 63.41 2qum s THR 62 Cb -0.13 -3.92 -0.00 0.00 0.01 0.00 0.00 72.50 68.46 2qum s THR 62 CO 0.03 0.55 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.65 2qum s VAL 63 N -1.06 2.65 0.42 3.82 1.01 -1.26 -1.02 120.40 124.96 2qum s VAL 63 Ca 0.30 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.55 2qum s VAL 63 Cb -0.20 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 2qum s VAL 63 CO 0.19 0.53 0.07 0.00 0.00 0.00 0.00 175.10 175.90 2qum s MET 64 N 0.59 2.07 0.13 2.72 0.23 -0.20 -3.67 119.30 121.18 2qum s MET 64 Ca -0.09 -2.04 0.03 0.00 -1.03 0.00 0.00 55.69 52.56 2qum s MET 64 Cb -0.16 -1.76 -0.04 0.00 -1.53 0.00 0.00 34.83 31.34 2qum s MET 64 CO 0.03 -0.10 -0.08 0.00 -2.03 0.00 0.00 175.02 172.84 2qum s ILE 67 N -3.45 0.00 -0.42 0.00 1.10 -0.07 -1.99 121.20 116.37 2qum s ILE 67 Ca 0.36 0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.52 2qum s ILE 67 Cb 0.02 -1.00 0.14 0.00 0.15 0.00 0.00 42.46 41.77 2qum s ILE 67 CO 0.21 0.00 0.26 -0.83 -2.11 0.00 0.00 174.94 172.47 2qum s GLY 68 N -2.19 1.40 -0.11 1.50 0.00 -1.26 -0.19 107.32 106.47 2qum s GLY 68 Ca -0.01 -2.40 -0.40 0.00 0.00 0.00 0.00 44.72 41.91 2qum s GLY 68 CO -0.06 1.79 1.35 1.04 0.00 0.00 0.00 173.10 177.22 2qum n LEU 69 N 3.51 1.05 -4.62 0.66 4.77 -1.14 -4.42 117.00 116.81 2qum n LEU 69 Ca 0.14 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.96 2qum n LEU 69 Cb 0.37 -1.02 0.19 0.00 -2.33 0.00 0.00 43.42 40.63 2qum n LEU 69 CO 0.18 -1.24 0.61 -0.54 -1.33 0.00 0.00 177.39 175.08 2qum s LYS 70 N 1.25 0.35 0.31 3.23 1.02 -1.26 -1.61 119.74 123.02 2qum s LYS 70 Ca 0.93 1.08 0.01 0.00 0.02 0.00 0.00 55.97 58.01 2qum s LYS 70 Cb -1.20 -1.68 0.54 0.00 -0.52 0.00 0.00 37.83 34.97 2qum s LYS 70 CO 0.60 -2.94 1.93 1.03 -0.92 0.00 0.00 175.35 175.05 2qum h SER 71 N -2.07 0.88 0.05 2.83 0.87 -1.92 -1.97 113.55 112.23 2qum h SER 71 Ca -0.52 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 2qum h SER 71 Cb 1.30 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2qum h SER 71 CO 0.48 0.58 0.00 -1.84 -0.53 0.00 0.00 176.83 175.53 2qum n GLU 72 N -4.47 0.52 0.00 2.24 0.28 -1.26 -2.41 120.64 115.54 2qum n GLU 72 Ca 0.13 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2qum n GLU 72 Cb 0.17 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.54 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 -1.05 0.00 -1.51 -1.84 0.53 -0.74 -4.44 117.16 108.11 2qum n TYR 73 Ca 0.13 -0.43 -0.37 0.00 -1.02 0.00 0.00 57.90 56.21 2qum n TYR 73 Cb 0.07 -0.04 -0.13 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 -0.43 0.63 -0.07 7.72 -0.08 -1.01 -4.39 116.55 118.92 2qum n ASP 74 Ca 0.00 -0.10 0.25 0.00 -1.51 0.00 0.00 54.79 53.43 2qum n ASP 74 Cb 0.26 -1.06 0.72 0.00 2.34 0.00 0.00 41.12 43.38 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 13.67 0.00 -0.05 -0.67 -1.00 -1.88 0.16 116.94 127.17 2qum h PHE 75 Ca -0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.70 2qum h PHE 75 Cb 1.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.83 2qum h PHE 75 CO 1.09 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 177.79 2qum n ALA 76 N -2.59 2.51 -1.79 2.45 0.00 -1.26 -3.56 120.51 116.28 2qum n ALA 76 Ca 0.14 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 2qum n ALA 76 Cb 0.82 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.95 6.45 0.14 0.00 0.15 0.04 -4.71 113.70 113.83 2qum s SER 77 Ca 0.33 2.90 0.20 0.00 0.70 0.00 0.00 55.95 60.08 2qum s SER 77 Cb 0.20 -2.64 0.82 0.00 -1.71 0.00 0.00 66.02 62.70 2qum s SER 77 CO 0.31 -0.84 1.61 -0.81 1.20 0.00 0.00 173.24 174.71 2qum n PRO 78 N 1.82 0.11 -2.80 5.44 -0.04 -1.26 -4.50 135.00 133.76 2qum n PRO 78 Ca 0.06 0.34 -0.43 0.00 -0.04 0.00 0.00 63.50 63.43 2qum n PRO 78 Cb 0.39 -1.70 -0.04 0.00 -0.04 0.00 0.00 33.50 32.10 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 -3.69 6.37 0.22 3.54 -1.08 -1.26 -4.94 116.67 115.83 2qum s ASP 79 Ca 0.06 -0.25 -0.11 0.00 -0.52 0.00 0.00 52.55 51.72 2qum s ASP 79 Cb 0.10 -2.45 0.30 0.00 -1.46 0.00 0.00 42.92 39.41 2qum s ASP 79 CO 0.34 -1.24 1.64 0.50 0.52 0.00 0.00 175.17 176.92 2qum h LYS 80 N 9.32 0.05 0.00 4.34 3.11 -2.00 0.66 116.57 132.05 2qum h LYS 80 Ca -0.26 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.58 2qum h LYS 80 Cb 1.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.29 2qum h LYS 80 CO 1.09 0.03 -0.02 0.66 -2.81 0.00 0.00 179.45 178.41 2qum h SER 81 N 0.05 0.00 -0.11 4.20 4.64 -1.95 -0.28 113.55 120.10 2qum h SER 81 Ca 0.34 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.51 2qum h SER 81 Cb 0.55 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2qum h SER 81 CO -0.63 0.02 -0.53 0.58 -0.87 0.00 0.00 176.83 175.40 2qum h VAL 82 N 0.00 1.36 -0.14 0.95 2.07 -1.19 -2.09 116.25 117.21 2qum h VAL 82 Ca -0.00 -1.84 -0.08 0.00 0.82 0.00 0.00 66.70 65.61 2qum h VAL 82 Cb 0.04 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2qum h VAL 82 CO 0.00 0.55 -0.25 0.03 0.02 0.00 0.00 177.57 177.93 2qum h ARG 83 N 0.16 0.25 -0.06 1.57 3.08 -0.78 -0.97 114.38 117.62 2qum h ARG 83 Ca -0.03 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 2qum h ARG 83 Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2qum h ARG 83 CO 0.11 0.49 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.94 2qum h ASP 84 N 0.23 0.22 -0.85 7.04 3.45 -1.07 0.05 116.42 125.48 2qum h ASP 84 Ca 0.04 -0.55 0.03 0.00 0.43 0.00 0.00 57.03 56.98 2qum h ASP 84 Cb 0.57 -0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 39.23 2qum h ASP 84 CO 0.04 0.73 0.56 0.00 -1.57 0.00 0.00 179.24 179.00 2qum h ALA 85 N 0.49 1.47 0.17 3.45 0.00 -1.25 -0.33 119.26 123.26 2qum h ALA 85 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2qum h ALA 85 Cb 0.69 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qum h ALA 85 CO 0.03 0.45 -0.08 0.78 0.00 0.00 0.00 179.25 180.43 2qum h GLY 86 N 1.06 -0.23 1.55 0.00 0.00 -1.05 -2.17 103.07 102.23 2qum h GLY 86 Ca 0.33 0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.69 2qum h GLY 86 CO -0.10 -0.08 -0.03 -0.91 0.00 0.00 0.00 176.54 175.42 2qum h THR 87 N -0.54 1.21 0.00 4.70 1.35 -0.73 -0.54 112.91 118.36 2qum h THR 87 Ca -0.02 -0.88 -0.10 0.00 -0.55 0.00 0.00 66.41 64.86 2qum h THR 87 Cb 0.41 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 2qum h THR 87 CO 0.04 0.30 -0.46 -0.33 -0.25 0.00 0.00 175.52 174.82 2qum h GLU 88 N 0.53 0.00 0.05 4.72 4.39 -1.08 -2.24 114.58 120.95 2qum h GLU 88 Ca 0.11 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.54 2qum h GLU 88 Cb 0.39 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2qum h GLU 88 CO 0.02 0.46 -1.10 -0.92 -1.16 0.00 0.00 179.01 176.31 2qum h TYR 89 N 0.00 0.83 -0.08 4.33 5.03 -0.81 -3.10 116.97 123.18 2qum h TYR 89 Ca -0.00 -0.49 -0.10 0.00 2.58 0.00 0.00 58.73 60.71 2qum h TYR 89 Cb 0.91 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.10 2qum h TYR 89 CO 0.00 1.33 -0.40 0.28 -1.32 0.00 0.00 178.16 178.05 2qum h VAL 90 N 0.27 1.30 -0.30 1.81 2.07 -0.94 -0.80 116.25 119.66 2qum h VAL 90 Ca -0.13 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 65.84 2qum h VAL 90 Cb 1.76 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 2qum h VAL 90 CO 0.20 0.43 -0.15 0.11 0.02 0.00 0.00 177.57 178.18 2qum h LYS 91 N 0.14 0.53 0.00 1.57 1.57 -1.43 -0.93 116.57 118.02 2qum h LYS 91 Ca 0.01 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 2qum h LYS 91 Cb 0.77 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2qum h LYS 91 CO 0.06 0.67 -0.52 0.00 -0.57 0.00 0.00 179.45 179.09 2qum h ARG 92 N 0.49 0.00 -0.03 3.15 3.08 -1.24 -1.88 114.38 117.95 2qum h ARG 92 Ca 0.09 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.95 2qum h ARG 92 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2qum h ARG 92 CO 0.03 0.52 -0.78 -0.07 -1.07 0.00 0.00 179.97 178.60 2qum h LEU 93 N 0.00 0.30 -1.09 3.04 3.38 -0.52 -2.76 115.31 117.67 2qum h LEU 93 Ca -0.01 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 2qum h LEU 93 Cb 0.96 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2qum h LEU 93 CO 0.07 0.97 -0.42 -0.07 0.09 0.00 0.00 178.44 179.07 2qum h LEU 94 N 0.16 0.00 -0.85 1.67 3.38 -0.89 -0.10 115.31 118.68 2qum h LEU 94 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2qum h LEU 94 Cb 1.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2qum h LEU 94 CO 0.12 0.42 -0.20 0.44 0.09 0.00 0.00 178.44 179.32 2qum h ASP 95 N 0.00 0.63 0.13 -0.43 3.45 -1.12 -0.50 116.42 118.58 2qum h ASP 95 Ca -0.00 -0.21 -0.19 0.00 0.43 0.00 0.00 57.03 57.06 2qum h ASP 95 Cb 0.82 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 39.41 2qum h ASP 95 CO 0.06 0.84 -0.70 0.44 -1.57 0.00 0.00 179.24 178.30 2qum h ASP 96 N 0.56 0.60 -0.63 6.45 3.32 -1.11 -2.69 116.42 122.92 2qum h ASP 96 Ca 0.09 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 2qum h ASP 96 Cb 0.66 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2qum h ASP 96 CO 0.05 1.12 0.39 0.00 -1.72 0.00 0.00 179.24 179.08 2qum h HIS 98 N 0.86 1.23 -0.32 0.00 -0.00 -1.01 0.17 115.15 116.09 2qum h HIS 98 Ca 0.23 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.56 2qum h HIS 98 Cb -0.03 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 26.97 2qum h HIS 98 CO -0.02 0.83 0.09 1.25 -0.00 0.00 0.00 177.93 180.08 2qum h LEU 99 N 1.27 0.47 0.00 0.26 6.46 -1.10 -2.12 115.31 120.55 2qum h LEU 99 Ca 0.33 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 2qum h LEU 99 Cb -0.02 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 2qum h LEU 99 CO -0.06 0.56 0.00 0.18 -0.62 0.00 0.00 178.44 178.50 2qum n LEU 100 N -4.67 0.00 -1.50 2.25 4.77 -0.68 -4.83 117.00 112.34 2qum n LEU 100 Ca -0.02 0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.88 2qum n LEU 100 Cb 0.18 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2qum n LEU 100 CO 0.37 -0.02 -0.18 0.61 -1.33 0.00 0.00 177.39 176.84 2qum n GLY 101 N 0.49 0.69 3.75 -0.72 0.00 -0.80 -4.57 105.19 104.03 2qum n GLY 101 Ca 0.16 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 2qum n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qum n ALA 102 N -0.19 2.61 0.19 4.61 0.00 0.55 -4.82 120.51 123.46 2qum n ALA 102 Ca -0.17 0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.75 2qum n ALA 102 Cb 0.58 -2.47 0.01 0.00 0.00 0.00 0.00 19.45 17.57 2qum n ALA 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qum n PRO 103 N 1.98 0.54 -3.88 0.00 -0.04 -1.26 -4.75 135.00 127.60 2qum n PRO 103 Ca 0.08 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.51 2qum n PRO 103 Cb 0.37 -1.77 -0.11 0.00 -0.04 0.00 0.00 33.50 31.95 2qum n PRO 103 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2qum s VAL 104 N -3.34 0.06 -0.27 0.52 1.01 -1.26 -1.84 120.40 115.28 2qum s VAL 104 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2qum s VAL 104 Cb 0.11 -0.31 0.07 0.00 0.00 0.00 0.00 36.38 36.25 2qum s VAL 104 CO 0.79 -0.27 -0.04 0.12 0.00 0.00 0.00 175.10 175.70 2qum s PHE 105 N -0.90 2.94 0.11 5.22 5.36 0.67 -1.92 117.98 129.46 2qum s PHE 105 Ca -0.10 -2.22 0.00 0.00 -0.96 0.00 0.00 56.93 53.65 2qum s PHE 105 Cb -0.06 -2.00 -0.00 0.00 -0.34 0.00 0.00 43.02 40.62 2qum s PHE 105 CO 0.01 -0.86 0.01 0.00 -1.46 0.00 0.00 175.22 172.92 2qum n ALA 106 N 4.51 0.11 0.00 11.12 0.00 0.82 -0.11 120.51 136.96 2qum n ALA 106 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2qum n ALA 106 Cb 0.43 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 2.97 -0.32 3.14 0.00 0.00 -1.26 -0.89 105.19 108.84 2qum n GLY 107 Ca -0.04 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 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 5.97 -0.71 0.99 7.99 0.74 -1.30 117.00 130.68 2qum n LEU 108 Ca 0.00 -4.42 0.06 0.00 -0.01 0.00 0.00 56.01 51.64 2qum n LEU 108 Cb 0.00 -1.59 0.17 0.00 -0.11 0.00 0.00 43.42 41.89 2qum n LEU 108 CO 0.00 0.96 0.64 0.35 -1.51 0.00 0.00 177.39 177.83 2qum n THR 109 N 4.41 0.52 -0.91 -5.08 -2.24 -1.26 -2.87 114.28 106.85 2qum n THR 109 Ca 0.42 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2qum n THR 109 Cb 0.40 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.61 0.00 -3.82 4.78 -1.74 -1.26 -4.98 117.46 111.05 2qum n PHE 110 Ca 0.13 -0.03 -0.05 0.00 -0.56 0.00 0.00 57.45 56.93 2qum n PHE 110 Cb 0.33 -0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.32 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 -2.95 3.44 -0.03 0.00 0.00 -1.26 -3.39 121.76 117.57 2qum s ALA 112 Ca 0.15 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2qum s ALA 112 Cb -0.04 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.14 2qum s ALA 112 CO 0.06 0.28 -0.02 -0.46 0.00 0.00 0.00 175.76 175.62 2qum s TRP 113 N -1.09 0.47 0.67 0.00 -0.00 -0.63 -3.88 118.94 114.47 2qum s TRP 113 Ca 0.36 -0.08 -0.07 0.00 -0.00 0.00 0.00 56.10 56.31 2qum s TRP 113 Cb -0.23 -0.49 0.04 0.00 -0.00 0.00 0.00 33.47 32.79 2qum s TRP 113 CO 0.26 -0.15 0.99 -2.14 -0.00 0.00 0.00 176.95 175.92 2qum s PRO 114 N 0.93 2.49 -0.16 5.86 0.02 -1.26 -4.71 135.00 138.17 2qum s PRO 114 Ca -0.11 -0.10 -0.29 0.00 0.02 0.00 0.00 61.00 60.53 2qum s PRO 114 Cb -0.14 -2.18 0.10 0.00 0.02 0.00 0.00 34.50 32.30 2qum s PRO 114 CO -0.01 -1.05 0.88 -1.14 -0.33 0.00 0.00 177.00 175.35 2qum s GLN 115 N -5.18 0.75 0.15 5.54 0.74 0.52 -5.01 119.66 117.17 2qum s GLN 115 Ca 0.58 0.35 0.10 0.00 0.05 0.00 0.00 55.36 56.43 2qum s GLN 115 Cb -0.11 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.32 2qum s GLN 115 CO 0.46 -0.20 -0.18 -1.12 -0.55 0.00 0.00 175.29 173.69 2qum s SER 116 N -0.75 3.81 0.87 6.67 0.01 -1.26 -3.42 113.70 119.64 2qum s SER 116 Ca -0.04 -0.66 -0.12 0.00 1.31 0.00 0.00 55.95 56.44 2qum s SER 116 Cb -0.02 -0.48 0.09 0.00 0.21 0.00 0.00 66.02 65.82 2qum s SER 116 CO 0.03 0.14 0.96 -2.65 0.41 0.00 0.00 173.24 172.13 2qum n PRO 117 N 0.48 -0.16 -2.02 12.44 -0.02 -1.26 -4.92 135.00 139.54 2qum n PRO 117 Ca -0.14 0.02 -0.38 0.00 -2.02 0.00 0.00 63.50 60.98 2qum n PRO 117 Cb 0.54 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.79 2qum n PRO 117 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2qum s PRO 118 N -4.11 3.54 0.63 0.52 0.02 -1.26 -4.86 135.00 129.50 2qum s PRO 118 Ca 0.67 2.04 0.31 0.00 0.02 0.00 0.00 61.00 64.03 2qum s PRO 118 Cb -0.26 -2.41 1.68 0.00 0.02 0.00 0.00 34.50 33.53 2qum s PRO 118 CO 0.58 -0.80 1.94 -0.07 -0.33 0.00 0.00 177.00 178.31 2qum h LEU 119 N 1.92 0.00 -3.29 -5.54 3.38 -2.08 0.37 115.31 110.07 2qum h LEU 119 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2qum h LEU 119 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2qum h LEU 119 CO 0.59 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.22 2qum n ASP 120 N -2.84 4.15 -4.65 -0.43 3.85 -1.26 -4.98 116.55 110.39 2qum n ASP 120 Ca -0.02 -2.96 -0.43 0.00 -0.71 0.00 0.00 54.79 50.67 2qum n ASP 120 Cb 0.32 -0.56 -0.02 0.00 -1.35 0.00 0.00 41.12 39.51 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 -2.74 4.12 -0.24 0.11 1.75 0.12 -4.91 119.30 117.50 2qum s MET 121 Ca 0.44 1.25 -0.12 0.00 -1.25 0.00 0.00 55.69 56.00 2qum s MET 121 Cb 0.35 -3.74 -0.10 0.00 2.84 0.00 0.00 34.83 34.18 2qum s MET 121 CO 0.10 -0.84 -0.32 1.63 -0.65 0.00 0.00 175.02 174.95 2qum n LYS 122 N 6.76 0.52 -4.27 4.11 4.01 -1.26 -4.94 118.16 123.08 2qum n LYS 122 Ca 0.13 0.23 -0.33 0.00 -0.51 0.00 0.00 58.31 57.82 2qum n LYS 122 Cb 0.46 -1.37 -0.16 0.00 -0.51 0.00 0.00 35.03 33.46 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 -7.18 3.38 0.18 4.39 3.68 -1.26 -5.01 116.67 114.86 2qum s ASP 123 Ca -0.34 -0.57 0.25 0.00 2.13 0.00 0.00 52.55 54.01 2qum s ASP 123 Cb 0.13 -1.52 0.46 0.00 -1.45 0.00 0.00 42.92 40.54 2qum s ASP 123 CO 0.43 0.03 1.47 0.07 0.13 0.00 0.00 175.17 177.29 2qum h LYS 124 N 7.73 0.00 -0.93 4.34 2.10 -2.00 -3.37 116.57 124.44 2qum h LYS 124 Ca -0.40 0.00 0.27 0.00 -2.00 0.00 0.00 60.65 58.52 2qum h LYS 124 Cb 1.16 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.34 2qum h LYS 124 CO 0.61 0.00 0.33 0.00 -2.00 0.00 0.00 179.45 178.39 2qum h ARG 125 N 0.00 0.21 -0.81 0.07 3.08 -1.99 0.96 114.38 115.90 2qum h ARG 125 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2qum h ARG 125 Cb 0.79 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.75 2qum h ARG 125 CO 0.00 0.14 0.47 -1.35 -1.07 0.00 0.00 179.97 178.16 2qum h PRO 126 N 0.21 1.10 -0.27 0.04 0.11 -2.00 0.26 132.00 131.45 2qum h PRO 126 Ca 0.63 -0.11 -0.13 0.00 0.11 0.00 0.00 66.00 66.50 2qum h PRO 126 Cb 1.35 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2qum h PRO 126 CO -0.67 0.78 -0.34 1.88 -0.21 0.00 0.00 178.00 179.44 2qum h TYR 127 N 1.12 0.87 -0.17 0.65 -1.99 -1.12 -2.01 116.97 114.32 2qum h TYR 127 Ca 0.29 -0.28 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 2qum h TYR 127 Cb -0.02 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.53 2qum h TYR 127 CO 0.01 1.04 0.09 0.28 -0.00 0.00 0.00 178.16 179.58 2qum h VAL 128 N 0.45 1.10 -0.78 -2.88 2.07 -0.97 -1.00 116.25 114.23 2qum h VAL 128 Ca 0.03 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2qum h VAL 128 Cb 0.93 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2qum h VAL 128 CO 0.08 0.09 0.44 0.44 0.02 0.00 0.00 177.57 178.65 2qum h ASP 129 N 0.17 0.95 -0.12 0.57 3.45 -0.95 0.79 116.42 121.28 2qum h ASP 129 Ca 0.06 -0.07 -0.12 0.00 0.43 0.00 0.00 57.03 57.33 2qum h ASP 129 Cb 0.07 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 2qum h ASP 129 CO -0.01 0.75 -0.33 0.03 -1.57 0.00 0.00 179.24 178.10 2qum h ARG 130 N 1.08 0.62 -0.22 3.56 3.08 -1.14 -1.95 114.38 119.41 2qum h ARG 130 Ca 0.28 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 2qum h ARG 130 Cb -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2qum h ARG 130 CO -0.05 0.87 -0.39 0.00 -1.07 0.00 0.00 179.97 179.33 2qum h ALA 131 N 1.11 0.93 -0.66 0.04 0.00 -0.45 -1.72 119.26 118.50 2qum h ALA 131 Ca 0.06 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2qum h ALA 131 Cb 0.83 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2qum h ALA 131 CO 0.07 0.63 0.15 0.82 0.00 0.00 0.00 179.25 180.91 2qum h ILE 132 N 0.41 1.26 -0.24 0.00 2.04 -0.53 -2.11 117.51 118.35 2qum h ILE 132 Ca 0.04 -0.96 -0.16 0.00 1.00 0.00 0.00 64.86 64.77 2qum h ILE 132 Cb 0.86 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2qum h ILE 132 CO 0.07 0.36 -0.52 -0.33 0.00 0.00 0.00 178.15 177.74 2qum h GLU 133 N 1.00 0.67 -0.17 2.37 4.39 -1.17 -2.45 114.58 119.23 2qum h GLU 133 Ca 0.21 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 2qum h GLU 133 Cb 0.37 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2qum h GLU 133 CO 0.00 1.02 -0.12 0.77 -1.16 0.00 0.00 179.01 179.53 2qum h SER 134 N 0.52 0.26 0.65 1.42 0.02 -1.05 -1.97 113.55 113.40 2qum h SER 134 Ca 0.02 -0.05 -0.20 0.00 -0.84 0.00 0.00 61.79 60.72 2qum h SER 134 Cb 1.08 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 2qum h SER 134 CO 0.10 0.41 -0.89 0.58 -1.14 0.00 0.00 176.83 175.89 2qum h VAL 135 N 0.26 1.52 0.00 2.27 2.07 -1.28 -3.03 116.25 118.07 2qum h VAL 135 Ca 0.05 -2.72 -0.01 0.00 0.82 0.00 0.00 66.70 64.84 2qum h VAL 135 Cb 0.37 2.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2qum h VAL 135 CO 0.02 0.79 -0.06 0.03 0.02 0.00 0.00 177.57 178.37 2qum h ARG 136 N 0.08 0.00 0.00 1.57 3.08 -0.88 0.21 114.38 118.44 2qum h ARG 136 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2qum h ARG 136 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.58 2qum h ARG 136 CO 0.13 0.06 -0.28 0.00 -1.07 0.00 0.00 179.97 178.82 2qum h ARG 137 N 0.00 0.00 0.00 0.04 3.08 -1.29 -3.35 114.38 112.85 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 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2qum h ARG 137 CO 0.01 0.00 -1.03 1.33 -1.07 0.00 0.00 179.97 179.21 2qum n VAL 138 N -2.39 0.00 -0.22 2.04 0.24 -0.90 -4.76 118.33 112.35 2qum n VAL 138 Ca 0.04 -0.12 0.14 0.00 -2.04 0.00 0.00 64.34 62.37 2qum n VAL 138 Cb 0.46 0.50 0.45 0.00 -1.47 0.00 0.00 33.84 33.77 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 0.00 0.80 -0.23 1.34 6.09 -0.74 -1.42 117.51 123.35 2qum h ILE 139 Ca 0.00 -0.19 -0.01 0.00 -1.37 0.00 0.00 64.86 63.29 2qum h ILE 139 Cb 0.14 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 37.63 2qum h ILE 139 CO 0.00 0.10 0.08 0.11 -3.07 0.00 0.00 178.15 175.37 2qum h LYS 140 N 0.54 0.32 -0.35 2.19 6.56 -1.85 -1.38 116.57 122.59 2qum h LYS 140 Ca 0.41 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.94 2qum h LYS 140 Cb 0.81 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.39 2qum h LYS 140 CO -0.16 0.28 0.09 0.28 -2.06 0.00 0.00 179.45 177.88 2qum h VAL 141 N 0.32 1.16 0.06 0.50 2.07 -1.60 -1.83 116.25 116.94 2qum h VAL 141 Ca 0.08 -0.57 -0.25 0.00 0.82 0.00 0.00 66.70 66.78 2qum h VAL 141 Cb 0.09 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2qum h VAL 141 CO -0.01 0.21 -1.08 0.00 0.02 0.00 0.00 177.57 176.71 2qum h ALA 142 N 1.60 0.22 0.46 1.67 0.00 -1.34 -2.59 119.26 119.28 2qum h ALA 142 Ca 0.12 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2qum h ALA 142 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qum h ALA 142 CO -0.00 0.84 -0.22 0.93 0.00 0.00 0.00 179.25 180.79 2qum h GLU 143 N 0.19 -0.60 -0.84 0.00 5.08 -0.90 0.43 114.58 117.94 2qum h GLU 143 Ca -0.12 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2qum h GLU 143 Cb 1.75 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 31.10 2qum h GLU 143 CO 0.19 -0.37 0.53 -0.44 -1.00 0.00 0.00 179.01 177.92 2qum h ASP 144 N -0.69 0.99 0.99 1.42 3.32 -1.46 -0.27 116.42 120.73 2qum h ASP 144 Ca -0.06 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2qum h ASP 144 Cb 0.51 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2qum h ASP 144 CO 0.10 0.75 0.00 1.88 -1.72 0.00 0.00 179.24 180.25 2qum h TYR 145 N 1.15 0.00 -0.63 4.55 0.99 -1.29 -3.46 116.97 118.29 2qum h TYR 145 Ca 0.31 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.92 2qum h TYR 145 Cb -0.08 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.63 2qum h TYR 145 CO 0.00 0.00 -0.13 0.41 -0.00 0.00 0.00 178.16 178.44 2qum n GLY 146 N 0.31 0.35 3.74 3.88 0.00 0.08 -5.01 105.19 108.53 2qum n GLY 146 Ca 0.03 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.25 5.40 -0.09 -0.61 -1.09 0.13 -4.94 121.20 117.74 2qum s ILE 147 Ca 0.00 0.18 -0.30 0.00 -2.23 0.00 0.00 60.65 58.31 2qum s ILE 147 Cb 0.00 -3.45 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 2qum s ILE 147 CO 0.00 0.46 1.09 -0.63 -1.23 0.00 0.00 174.94 174.62 2qum s ILE 148 N 0.24 4.57 -0.51 2.92 1.01 -0.77 -4.35 121.20 124.31 2qum s ILE 148 Ca 0.08 1.86 -0.15 0.00 0.00 0.00 0.00 60.65 62.44 2qum s ILE 148 Cb -0.11 -4.19 0.11 0.00 0.01 0.00 0.00 42.46 38.27 2qum s ILE 148 CO -0.01 -0.00 0.44 -0.47 0.00 0.00 0.00 174.94 174.90 2qum s TYR 149 N 2.11 3.27 0.02 3.97 6.14 0.20 -0.24 117.35 132.82 2qum s TYR 149 Ca 0.51 -1.23 -0.10 0.00 0.64 0.00 0.00 57.07 56.89 2qum s TYR 149 Cb -0.21 -3.52 -0.05 0.00 0.42 0.00 0.00 41.96 38.60 2qum s TYR 149 CO 0.19 -0.93 0.35 0.00 0.64 0.00 0.00 175.55 175.80 2qum s ALA 150 N 1.59 3.76 -0.29 3.97 0.00 0.84 -1.01 121.76 130.62 2qum s ALA 150 Ca 0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 2qum s ALA 150 Cb -0.27 -2.23 0.04 0.00 0.00 0.00 0.00 23.12 20.65 2qum s ALA 150 CO 0.04 0.56 -0.00 -0.51 0.00 0.00 0.00 175.76 175.85 2qum s LEU 151 N -1.57 3.73 0.09 0.00 1.43 -0.24 -4.01 118.68 118.11 2qum s LEU 151 Ca 0.28 -1.10 -0.22 0.00 -1.03 0.00 0.00 54.13 52.05 2qum s LEU 151 Cb -0.14 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 2qum s LEU 151 CO 0.15 -0.22 0.68 -0.70 0.23 0.00 0.00 176.35 176.48 2qum s GLU 152 N 1.31 4.39 -0.50 1.70 2.12 -0.42 -0.29 118.70 127.01 2qum s GLU 152 Ca -0.03 0.94 -0.18 0.00 0.36 0.00 0.00 54.97 56.06 2qum s GLU 152 Cb -0.19 -3.28 0.06 0.00 0.26 0.00 0.00 34.13 30.99 2qum s GLU 152 CO -0.01 0.53 0.56 0.08 -0.54 0.00 0.00 175.26 175.88 2qum s VAL 153 N -0.87 4.99 0.36 3.70 1.01 -0.40 -4.78 120.40 124.40 2qum s VAL 153 Ca 0.33 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.69 2qum s VAL 153 Cb -0.21 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 2qum s VAL 153 CO 0.22 -0.74 0.33 0.68 0.00 0.00 0.00 175.10 175.59 2qum s VAL 154 N 2.32 3.33 0.72 2.92 -7.23 -1.25 -4.42 120.40 116.79 2qum s VAL 154 Ca 0.11 -1.34 -0.13 0.00 -1.81 0.00 0.00 61.98 58.82 2qum s VAL 154 Cb -0.21 -3.14 0.03 0.00 0.56 0.00 0.00 36.38 33.62 2qum s VAL 154 CO 0.10 -0.13 1.11 0.54 -0.31 0.00 0.00 175.10 176.42 2qum s ASN 155 N -4.05 4.71 0.63 4.85 2.20 -1.26 -4.32 114.94 117.70 2qum s ASN 155 Ca 0.43 1.97 0.24 0.00 -0.94 0.00 0.00 52.86 54.56 2qum s ASN 155 Cb -0.05 -2.54 1.17 0.00 -2.00 0.00 0.00 41.25 37.82 2qum s ASN 155 CO 0.27 -1.90 1.64 0.08 -2.94 0.00 0.00 177.10 174.25 2qum h ARG 156 N -0.51 0.00 0.00 3.55 0.11 -1.89 -0.28 114.38 115.37 2qum h ARG 156 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2qum h ARG 156 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2qum h ARG 156 CO 0.52 0.00 -0.55 0.74 0.10 0.00 0.00 179.97 180.78 2qum h PHE 157 N 0.00 0.00 0.00 4.08 0.04 -1.94 -3.37 116.94 115.76 2qum h PHE 157 Ca 0.16 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.80 2qum h PHE 157 Cb 1.49 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.61 2qum h PHE 157 CO 0.00 0.00 -1.89 0.39 -0.60 0.00 0.00 178.31 176.21 2qum n GLU 158 N -2.39 0.99 -3.88 1.51 1.02 -0.14 -4.77 120.64 112.98 2qum n GLU 158 Ca 0.03 -0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.99 2qum n GLU 158 Cb 0.47 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.76 2.09 0.00 3.49 -0.44 -1.02 -0.36 119.66 120.66 2qum s GLN 159 Ca -0.07 -1.45 0.00 0.00 -2.50 0.00 0.00 55.36 51.34 2qum s GLN 159 Cb 0.08 0.58 0.00 0.00 -1.64 0.00 0.00 33.01 32.03 2qum s GLN 159 CO 0.65 -0.95 0.00 -2.67 0.50 0.00 0.00 175.29 172.82 2qum n TRP 160 N -0.52 0.00 0.03 1.67 4.27 -1.26 -4.09 117.44 117.54 2qum n TRP 160 Ca -0.06 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.43 2qum n TRP 160 Cb 0.60 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.46 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 -0.12 -7.26 5.67 3.38 -1.97 -3.42 115.31 111.59 2qum h LEU 161 Ca 0.00 -0.42 -0.59 0.00 0.09 0.00 0.00 57.88 56.96 2qum h LEU 161 Cb 0.00 0.03 -0.40 0.00 0.09 0.00 0.00 40.66 40.38 2qum h LEU 161 CO 0.00 0.41 -0.75 0.00 0.09 0.00 0.00 178.44 178.18 2qum n ASN 163 N 4.75 0.53 -4.23 0.00 5.03 -1.26 -3.74 115.26 116.34 2qum n ASN 163 Ca -0.02 -0.42 -0.13 0.00 0.87 0.00 0.00 54.58 54.88 2qum n ASN 163 Cb 0.42 1.31 -0.10 0.00 -1.02 0.00 0.00 39.78 40.39 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 -3.82 1.16 0.20 6.41 3.84 -1.26 -4.66 116.67 118.55 2qum s ASP 164 Ca 0.01 -1.16 -0.11 0.00 -0.00 0.00 0.00 52.55 51.29 2qum s ASP 164 Cb 0.15 0.12 0.27 0.00 -1.38 0.00 0.00 42.92 42.08 2qum s ASP 164 CO 0.87 -0.57 1.70 0.00 -0.00 0.00 0.00 175.17 177.17 2qum h ALA 165 N 2.73 0.65 -0.68 2.11 0.00 -1.93 -1.91 119.26 120.22 2qum h ALA 165 Ca -0.36 0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.82 2qum h ALA 165 Cb 1.20 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.09 2qum h ALA 165 CO 0.63 -0.33 0.13 -0.22 0.00 0.00 0.00 179.25 179.46 2qum h LYS 166 N 0.22 0.23 -0.46 0.00 3.64 -1.97 0.09 116.57 118.32 2qum h LYS 166 Ca 0.30 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2qum h LYS 166 Cb 0.45 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2qum h LYS 166 CO -0.41 0.15 0.09 0.93 -2.27 0.00 0.00 179.45 177.94 2qum h GLU 167 N 0.24 0.76 -0.68 1.90 5.08 -1.76 -2.67 114.58 117.46 2qum h GLU 167 Ca 0.37 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2qum h GLU 167 Cb 0.60 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2qum h GLU 167 CO -0.48 0.77 0.29 0.00 -1.00 0.00 0.00 179.01 178.59 2qum h ALA 168 N 0.96 0.88 -0.65 3.43 0.00 -0.95 -1.62 119.26 121.30 2qum h ALA 168 Ca 0.14 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2qum h ALA 168 Cb 0.37 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2qum h ALA 168 CO 0.01 0.47 0.38 0.82 0.00 0.00 0.00 179.25 180.93 2qum h ILE 169 N 0.95 1.02 -0.74 0.00 1.08 -0.90 0.23 117.51 119.15 2qum h ILE 169 Ca 0.23 -0.25 -0.06 0.00 -0.39 0.00 0.00 64.86 64.39 2qum h ILE 169 Cb 0.17 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 34.12 2qum h ILE 169 CO -0.02 0.13 0.24 0.00 -0.69 0.00 0.00 178.15 177.81 2qum h ALA 170 N 1.31 0.97 -0.15 1.87 0.00 -1.16 0.20 119.26 122.30 2qum h ALA 170 Ca 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qum h ALA 170 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2qum h ALA 170 CO -0.15 0.65 0.07 0.35 0.00 0.00 0.00 179.25 180.17 2qum h PHE 171 N 1.10 0.22 -0.61 0.00 3.04 -0.31 -1.54 116.94 118.83 2qum h PHE 171 Ca 0.24 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.12 2qum h PHE 171 Cb 0.30 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 2qum h PHE 171 CO 0.02 0.25 0.15 0.00 -2.02 0.00 0.00 178.31 176.72 2qum h ALA 172 N 0.94 0.80 -0.00 2.41 0.00 -0.28 -1.26 119.26 121.87 2qum h ALA 172 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2qum h ALA 172 Cb 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2qum h ALA 172 CO -0.01 0.51 -0.15 -0.44 0.00 0.00 0.00 179.25 179.16 2qum h ASP 173 N 0.88 0.01 -0.11 0.00 3.32 -0.47 -1.26 116.42 118.79 2qum h ASP 173 Ca 0.19 -0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.05 2qum h ASP 173 Cb 0.35 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.91 2qum h ASP 173 CO 0.00 0.16 -0.67 0.00 -1.72 0.00 0.00 179.24 177.01 2qum h ALA 174 N 1.84 0.23 -0.59 3.45 0.00 -0.63 -3.06 119.26 120.49 2qum h ALA 174 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2qum h ALA 174 Cb 0.27 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2qum h ALA 174 CO 0.02 0.52 0.37 0.28 0.00 0.00 0.00 179.25 180.45 2qum h VAL 175 N 0.30 1.16 -6.11 0.00 2.07 -0.75 -3.47 116.25 109.44 2qum h VAL 175 Ca -0.05 -0.33 -0.33 0.00 0.82 0.00 0.00 66.70 66.81 2qum h VAL 175 Cb 1.31 0.31 0.05 0.00 -1.52 0.00 0.00 31.29 31.44 2qum h VAL 175 CO 0.14 0.16 -0.74 -0.67 0.02 0.00 0.00 177.57 176.47 2qum n ASP 176 N -4.43 -5.89 -3.89 0.57 2.03 -0.52 -4.90 116.55 99.52 2qum n ASP 176 Ca 0.06 -0.77 -0.11 0.00 0.52 0.00 0.00 54.79 54.49 2qum n ASP 176 Cb 0.06 -3.53 -0.12 0.00 -0.72 0.00 0.00 41.12 36.81 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 -3.24 0.03 0.59 1.67 0.15 -1.26 -5.03 113.70 106.60 2qum s SER 177 Ca 0.25 -0.11 0.36 0.00 0.70 0.00 0.00 55.95 57.15 2qum s SER 177 Cb -0.09 0.16 1.79 0.00 -1.71 0.00 0.00 66.02 66.18 2qum s SER 177 CO 0.84 -0.20 2.16 -0.65 1.20 0.00 0.00 173.24 176.59 2qum h PRO 178 N 5.17 0.00 0.00 5.44 0.11 -1.97 -2.48 132.00 138.26 2qum h PRO 178 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2qum h PRO 178 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qum h PRO 178 CO 0.43 0.04 -0.87 0.00 -0.21 0.00 0.00 178.00 177.39 2qum n ALA 179 N -2.15 4.00 -2.60 -0.75 0.00 -1.26 -4.88 120.51 112.87 2qum n ALA 179 Ca -0.01 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.54 2qum n ALA 179 Cb 0.20 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 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 2.58 1.53 0.05 0.00 -0.14 -0.18 -4.80 119.74 118.79 2qum s LYS 181 Ca 0.25 -1.85 -0.05 0.00 -1.36 0.00 0.00 55.97 52.97 2qum s LYS 181 Cb -0.15 -0.48 -0.05 0.00 -1.68 0.00 0.00 37.83 35.47 2qum s LYS 181 CO 0.11 -0.28 0.27 0.08 -0.76 0.00 0.00 175.35 174.78 2qum s VAL 182 N -3.56 5.30 -0.13 3.17 1.01 0.24 -1.08 120.40 125.36 2qum s VAL 182 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2qum s VAL 182 Cb 0.08 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.89 2qum s VAL 182 CO 0.15 0.25 -0.12 -1.58 0.00 0.00 0.00 175.10 173.79 2qum s GLN 183 N -2.11 2.03 0.20 2.72 0.74 0.60 0.30 119.66 124.14 2qum s GLN 183 Ca 0.32 -0.46 0.06 0.00 0.05 0.00 0.00 55.36 55.33 2qum s GLN 183 Cb -0.13 -1.88 -0.04 0.00 1.10 0.00 0.00 33.01 32.07 2qum s GLN 183 CO 0.20 -0.20 0.10 -0.51 -0.55 0.00 0.00 175.29 174.34 2qum s LEU 184 N 1.40 3.63 -0.08 3.68 1.43 -1.17 -1.27 118.68 126.30 2qum s LEU 184 Ca 0.02 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2qum s LEU 184 Cb -0.13 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.89 2qum s LEU 184 CO -0.07 0.04 -0.02 -0.62 0.23 0.00 0.00 176.35 175.91 2qum s ASP 185 N -3.30 1.70 0.40 2.29 -1.08 -1.26 -0.65 116.67 114.76 2qum s ASP 185 Ca 0.31 -0.15 0.13 0.00 -0.52 0.00 0.00 52.55 52.32 2qum s ASP 185 Cb -0.09 -0.55 0.95 0.00 -1.46 0.00 0.00 42.92 41.77 2qum s ASP 185 CO 0.22 -0.16 1.91 0.71 0.52 0.00 0.00 175.17 178.37 2qum h THR 186 N 6.27 0.83 -0.32 1.71 1.35 -1.51 0.68 112.91 121.94 2qum h THR 186 Ca -0.24 -0.18 -0.04 0.00 -0.55 0.00 0.00 66.41 65.40 2qum h THR 186 Cb 1.13 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 2qum h THR 186 CO 0.31 0.10 0.04 0.15 -0.25 0.00 0.00 175.52 175.87 2qum h PHE 187 N 0.53 0.57 -0.01 4.73 3.57 -1.80 -0.29 116.94 124.25 2qum h PHE 187 Ca 0.38 -0.09 -0.19 0.00 3.53 0.00 0.00 57.97 61.61 2qum h PHE 187 Cb 0.74 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2qum h PHE 187 CO -0.00 0.63 -0.82 0.45 -2.23 0.00 0.00 178.31 176.33 2qum h HIS 188 N 0.35 0.32 -0.68 0.41 3.86 -1.53 -3.11 115.15 114.77 2qum h HIS 188 Ca 0.09 -0.17 -0.07 0.00 -1.16 0.00 0.00 60.37 59.07 2qum h HIS 188 Cb 0.37 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 2qum h HIS 188 CO 0.03 0.95 0.15 0.52 0.86 0.00 0.00 177.93 180.44 2qum h MET 189 N 0.13 1.08 -0.07 2.45 2.86 0.41 -2.11 114.93 119.70 2qum h MET 189 Ca -0.04 -0.26 0.02 0.00 -2.06 0.00 0.00 59.70 57.36 2qum h MET 189 Cb 1.43 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 2qum h MET 189 CO 0.13 0.96 0.12 -0.97 1.06 0.00 0.00 176.91 178.21 2qum h ASN 190 N 1.03 0.00 0.03 1.22 -1.24 -0.97 -0.14 115.58 115.51 2qum h ASN 190 Ca 0.21 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 56.85 2qum h ASN 190 Cb 0.37 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.37 2qum h ASN 190 CO 0.00 0.00 -2.16 -0.38 -1.29 0.00 0.00 177.43 173.61 2qum n ILE 191 N -3.46 1.58 -0.06 2.57 2.08 -0.92 -4.74 119.36 116.42 2qum n ILE 191 Ca -0.01 -0.45 -0.12 0.00 0.56 0.00 0.00 62.75 62.73 2qum n ILE 191 Cb 0.21 -1.73 -0.14 0.00 -0.75 0.00 0.00 39.64 37.23 2qum n ILE 191 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2qum n GLU 192 N -3.77 0.67 -2.99 0.38 -0.58 -0.84 -4.96 120.64 108.55 2qum n GLU 192 Ca -0.42 0.16 -0.40 0.00 -0.42 0.00 0.00 57.16 56.08 2qum n GLU 192 Cb 0.92 -1.65 -0.05 0.00 -0.57 0.00 0.00 31.44 30.10 2qum n GLU 192 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2qum s GLU 193 N -2.54 4.48 0.18 3.49 0.41 -0.08 -4.95 118.70 119.68 2qum s GLU 193 Ca -0.13 1.04 -0.02 0.00 -0.41 0.00 0.00 54.97 55.45 2qum s GLU 193 Cb 0.07 -3.38 0.06 0.00 -1.78 0.00 0.00 34.13 29.10 2qum s GLU 193 CO 0.79 0.24 1.44 1.15 -0.49 0.00 0.00 175.26 178.39 2qum h THR 194 N 4.26 1.36 -3.24 3.63 2.02 -1.93 -3.43 112.91 115.58 2qum h THR 194 Ca -0.43 -2.07 -0.45 0.00 0.77 0.00 0.00 66.41 64.23 2qum h THR 194 Cb 1.20 2.05 -0.39 0.00 -1.74 0.00 0.00 68.15 69.27 2qum h THR 194 CO 0.72 0.63 -0.76 -0.55 0.37 0.00 0.00 175.52 175.92 2qum s SER 195 N -6.97 1.93 0.12 4.18 0.15 -1.26 -5.02 113.70 106.83 2qum s SER 195 Ca -0.06 -0.31 -0.21 0.00 0.70 0.00 0.00 55.95 56.08 2qum s SER 195 Cb 0.11 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 2qum s SER 195 CO 0.84 -0.25 1.71 -0.26 1.20 0.00 0.00 173.24 176.48 2qum h PHE 196 N 8.34 -0.11 0.17 3.44 -1.00 -1.92 -1.60 116.94 124.25 2qum h PHE 196 Ca -0.17 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.64 2qum h PHE 196 Cb 1.13 0.08 -0.04 0.00 3.61 0.00 0.00 35.95 40.72 2qum h PHE 196 CO 0.39 -0.09 -0.47 -0.09 -1.61 0.00 0.00 178.31 176.44 2qum h ARG 197 N -0.02 -0.71 -0.92 1.51 2.43 -1.96 -0.47 114.38 114.24 2qum h ARG 197 Ca 0.08 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 2qum h ARG 197 Cb 0.14 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 2qum h ARG 197 CO -0.18 -0.47 0.60 -0.44 -1.51 0.00 0.00 179.97 177.97 2qum h ASP 198 N -0.73 0.96 -0.33 -3.80 3.32 -1.95 0.16 116.42 114.04 2qum h ASP 198 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2qum h ASP 198 Cb 0.73 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2qum h ASP 198 CO -0.24 0.63 0.18 0.00 -1.72 0.00 0.00 179.24 178.10 2qum h ALA 199 N 1.48 0.42 -0.38 3.45 0.00 -0.80 -0.74 119.26 122.70 2qum h ALA 199 Ca 0.39 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2qum h ALA 199 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2qum h ALA 199 CO -0.14 -0.05 0.07 0.82 0.00 0.00 0.00 179.25 179.96 2qum h ILE 200 N 0.42 1.23 -0.60 0.00 2.04 -0.30 -3.05 117.51 117.25 2qum h ILE 200 Ca 0.12 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.20 2qum h ILE 200 Cb 0.06 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2qum h ILE 200 CO -0.02 0.28 0.35 -0.07 0.00 0.00 0.00 178.15 178.69 2qum h LEU 201 N 0.46 0.54 -2.60 1.44 3.38 -0.47 -1.42 115.31 116.65 2qum h LEU 201 Ca 0.12 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2qum h LEU 201 Cb 0.34 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2qum h LEU 201 CO 0.00 0.37 0.03 0.00 0.09 0.00 0.00 178.44 178.94 2qum h ALA 202 N 1.29 1.38 -0.05 1.53 0.00 -1.03 -1.35 119.26 121.02 2qum h ALA 202 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qum h ALA 202 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qum h ALA 202 CO -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.08 2qum n LYS 204 N 0.13 0.69 -0.89 0.00 4.81 -0.51 0.84 118.16 123.23 2qum n LYS 204 Ca 0.18 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 2qum n LYS 204 Cb 0.33 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.54 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 2.65 0.45 0.00 3.14 0.00 -1.26 -4.77 105.19 105.40 2qum n GLY 205 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.69 1.33 -2.99 1.61 5.02 0.25 -5.03 118.16 116.67 2qum n LYS 206 Ca 0.00 -0.95 -0.41 0.00 -2.02 0.00 0.00 58.31 54.93 2qum n LYS 206 Cb 0.10 -0.72 -0.05 0.00 -0.02 0.00 0.00 35.03 34.33 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 -0.45 4.17 -0.05 1.97 1.75 -0.95 0.81 119.30 126.56 2qum s MET 207 Ca 0.00 0.78 0.17 0.00 -1.25 0.00 0.00 55.69 55.39 2qum s MET 207 Cb 0.00 -3.63 -0.26 0.00 2.84 0.00 0.00 34.83 33.78 2qum s MET 207 CO 0.00 -0.43 0.32 0.41 -0.65 0.00 0.00 175.02 174.67 2qum n GLY 208 N 3.86 -0.81 3.50 2.11 0.00 0.15 -4.81 105.19 109.20 2qum n GLY 208 Ca 0.03 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.07 -0.45 -0.16 1.61 5.65 -1.20 -4.59 115.29 113.09 2qum s HIS 209 Ca -0.07 0.21 -0.10 0.00 0.25 0.00 0.00 55.06 55.36 2qum s HIS 209 Cb 0.10 0.58 0.05 0.00 -1.18 0.00 0.00 32.58 32.13 2qum s HIS 209 CO 0.72 -0.85 0.39 0.12 -0.65 0.00 0.00 174.74 174.47 2qum s PHE 210 N -3.66 -0.53 -0.04 3.88 2.19 -1.19 -3.02 117.98 115.61 2qum s PHE 210 Ca 0.03 1.17 0.02 0.00 0.33 0.00 0.00 56.93 58.49 2qum s PHE 210 Cb -0.02 0.21 -0.03 0.00 -1.31 0.00 0.00 43.02 41.88 2qum s PHE 210 CO -0.09 -0.30 -0.09 -1.01 1.83 0.00 0.00 175.22 175.56 2qum s HIS 211 N 1.07 2.84 -0.09 10.12 3.76 0.17 -1.51 115.29 131.66 2qum s HIS 211 Ca -0.07 -0.05 0.02 0.00 -0.15 0.00 0.00 55.06 54.80 2qum s HIS 211 Cb -0.07 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.95 2qum s HIS 211 CO -0.09 0.30 -0.14 -0.51 -0.85 0.00 0.00 174.74 173.45 2qum s LEU 212 N -0.96 2.71 -0.25 0.89 1.43 -0.51 -1.40 118.68 120.59 2qum s LEU 212 Ca 0.13 -0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 52.69 2qum s LEU 212 Cb -0.11 -1.58 0.14 0.00 0.03 0.00 0.00 46.19 44.67 2qum s LEU 212 CO 0.03 0.24 1.11 -0.83 0.23 0.00 0.00 176.35 177.13 2qum s GLY 213 N -0.11 -0.09 1.17 -3.19 0.00 -1.26 -1.66 107.32 102.19 2qum s GLY 213 Ca -0.02 2.63 -0.18 0.00 0.00 0.00 0.00 44.72 47.14 2qum s GLY 213 CO 0.04 1.56 1.12 -0.54 0.00 0.00 0.00 173.10 175.28 2qum s GLU 214 N -0.29 -1.00 0.33 2.90 0.41 -0.45 -3.52 118.70 117.09 2qum s GLU 214 Ca 0.03 -0.04 0.07 0.00 -0.41 0.00 0.00 54.97 54.61 2qum s GLU 214 Cb -0.03 -1.62 0.74 0.00 -1.78 0.00 0.00 34.13 31.43 2qum s GLU 214 CO -0.05 -3.57 1.85 0.00 -0.49 0.00 0.00 175.26 172.99 2qum h ALA 215 N -2.48 1.73 -0.67 5.21 0.00 -1.90 -1.09 119.26 120.06 2qum h ALA 215 Ca -0.46 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.25 2qum h ALA 215 Cb 1.29 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 2qum h ALA 215 CO 0.36 0.01 0.25 0.27 0.00 0.00 0.00 179.25 180.14 2qum n ASN 216 N -4.60 4.21 -1.22 0.00 0.23 -1.26 -4.94 115.26 107.67 2qum n ASN 216 Ca 0.19 -3.35 -0.12 0.00 -0.53 0.00 0.00 54.58 50.77 2qum n ASN 216 Cb 0.46 -0.72 -0.02 0.00 -2.08 0.00 0.00 39.78 37.41 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 -0.50 -0.94 -2.83 -3.83 1.74 -0.41 -4.90 116.66 104.99 2qum n ARG 217 Ca 0.41 0.74 -0.22 0.00 -0.77 0.00 0.00 57.85 58.00 2qum n ARG 217 Cb 1.33 -4.86 0.02 0.00 -1.02 0.00 0.00 32.46 27.93 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 -3.25 3.48 0.20 0.55 1.43 -1.26 -1.26 118.68 118.56 2qum s LEU 218 Ca 0.00 0.11 -0.32 0.00 -1.03 0.00 0.00 54.13 52.89 2qum s LEU 218 Cb 0.00 -2.99 -0.15 0.00 0.03 0.00 0.00 46.19 43.08 2qum s LEU 218 CO 0.00 -0.91 1.26 -2.65 0.23 0.00 0.00 176.35 174.28 2qum n PRO 219 N -2.19 1.53 -1.73 1.29 -0.02 -1.26 -1.34 135.00 131.28 2qum n PRO 219 Ca 0.05 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 2qum n PRO 219 Cb 0.59 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 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 1.84 2.52 0.00 0.52 -0.04 -1.26 -1.95 135.00 136.63 2qum n PRO 220 Ca 0.13 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.49 2qum n PRO 220 Cb 0.28 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 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 1.75 3.05 0.26 0.55 0.00 -1.26 -4.63 105.19 104.91 2qum n GLY 221 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.30 0.90 -0.26 1.61 1.02 -0.82 -4.97 120.64 116.82 2qum n GLU 222 Ca 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 2qum n GLU 222 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 1.33 6.41 0.88 0.62 0.00 -1.26 -5.05 105.19 108.11 2qum n GLY 223 Ca 0.13 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.47 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 2.22 -1.64 1.61 1.85 -1.26 -5.00 116.66 114.44 2qum n ARG 224 Ca 0.00 -1.77 -0.37 0.00 -1.00 0.00 0.00 57.85 54.71 2qum n ARG 224 Cb 0.00 -1.47 0.06 0.00 -1.05 0.00 0.00 32.46 30.00 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 1.14 4.39 -4.24 2.89 4.77 -1.26 -4.83 117.00 119.86 2qum n LEU 225 Ca 0.15 0.80 -0.41 0.00 -0.03 0.00 0.00 56.01 56.51 2qum n LEU 225 Cb 0.55 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.20 2qum n LEU 225 CO 0.15 -1.65 2.18 -0.81 -1.33 0.00 0.00 177.39 175.94 2qum n PRO 226 N -1.35 2.83 -0.30 3.23 -0.04 -1.26 -4.82 135.00 133.29 2qum n PRO 226 Ca 0.15 -2.89 -0.03 0.00 -0.04 0.00 0.00 63.50 60.69 2qum n PRO 226 Cb 0.48 -3.41 0.09 0.00 -0.04 0.00 0.00 33.50 30.62 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 7.26 1.00 -0.32 0.54 4.06 -1.97 -0.82 115.95 125.69 2qum h TRP 227 Ca 0.47 0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.48 2qum h TRP 227 Cb 0.79 -0.33 -0.04 0.00 -1.00 0.00 0.00 29.16 28.58 2qum h TRP 227 CO 1.41 0.59 0.08 -0.44 -3.56 0.00 0.00 178.44 176.52 2qum h ASP 228 N 1.05 0.06 -0.96 -3.49 3.32 -1.98 0.37 116.42 114.78 2qum h ASP 228 Ca 0.32 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 2qum h ASP 228 Cb -0.03 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 2qum h ASP 228 CO -0.10 0.07 0.59 -0.08 -1.72 0.00 0.00 179.24 178.00 2qum h GLU 229 N 0.21 1.29 0.07 3.56 4.81 -1.86 0.12 114.58 122.78 2qum h GLU 229 Ca 0.15 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2qum h GLU 229 Cb 0.15 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2qum h GLU 229 CO -0.18 0.89 -0.03 0.82 -0.73 0.00 0.00 179.01 179.78 2qum h ILE 230 N 1.31 1.23 0.00 2.32 2.04 -0.13 -2.28 117.51 122.01 2qum h ILE 230 Ca 0.34 -1.22 -0.07 0.00 1.00 0.00 0.00 64.86 64.92 2qum h ILE 230 Cb -0.08 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2qum h ILE 230 CO -0.07 0.29 -0.32 -0.26 0.00 0.00 0.00 178.15 177.80 2qum h PHE 231 N -0.66 0.00 -0.33 1.37 -1.00 -0.30 -2.44 116.94 113.58 2qum h PHE 231 Ca -0.01 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.61 2qum h PHE 231 Cb 0.55 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.11 2qum h PHE 231 CO 0.11 0.32 -0.44 0.78 -1.61 0.00 0.00 178.31 177.46 2qum h GLY 232 N 1.85 0.93 0.95 -1.45 0.00 -0.79 -1.75 103.07 102.81 2qum h GLY 232 Ca -0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.26 2qum h GLY 232 CO 0.04 0.90 -0.03 0.00 0.00 0.00 0.00 176.54 177.45 2qum h ALA 233 N 0.80 0.52 -0.76 3.60 0.00 -1.21 -0.19 119.26 122.03 2qum h ALA 233 Ca 0.04 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2qum h ALA 233 Cb 1.03 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2qum h ALA 233 CO 0.10 0.32 0.46 -0.07 0.00 0.00 0.00 179.25 180.07 2qum h LEU 234 N 0.52 0.72 -1.11 0.00 3.38 -1.37 -0.66 115.31 116.78 2qum h LEU 234 Ca 0.11 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2qum h LEU 234 Cb 0.51 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2qum h LEU 234 CO 0.03 0.47 -0.30 0.11 0.09 0.00 0.00 178.44 178.84 2qum h LYS 235 N 0.86 0.25 -0.39 1.13 1.57 -0.98 -1.93 116.57 117.07 2qum h LYS 235 Ca 0.33 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 2qum h LYS 235 Cb 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2qum h LYS 235 CO -0.16 0.53 -0.27 1.49 -0.57 0.00 0.00 179.45 180.48 2qum h GLU 236 N 0.22 0.82 -0.11 3.15 4.81 0.42 -2.60 114.58 121.30 2qum h GLU 236 Ca 0.03 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2qum h GLU 236 Cb 0.65 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2qum h GLU 236 CO 0.05 0.99 0.00 0.44 -0.73 0.00 0.00 179.01 179.76 2qum n ILE 237 N -4.09 0.14 -3.09 2.32 -5.35 -0.61 -4.91 119.36 103.76 2qum n ILE 237 Ca -0.00 -0.21 -0.20 0.00 -0.27 0.00 0.00 62.75 62.07 2qum n ILE 237 Cb 0.47 0.11 0.04 0.00 -1.74 0.00 0.00 39.64 38.52 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 0.98 -0.34 3.63 3.28 0.00 -0.98 -4.50 105.19 107.26 2qum n GLY 238 Ca 0.15 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.15 2.37 -0.67 1.61 6.14 -0.76 -4.86 117.35 118.03 2qum s TYR 239 Ca 0.34 0.69 0.11 0.00 0.64 0.00 0.00 57.07 58.85 2qum s TYR 239 Cb -0.15 -3.91 0.31 0.00 0.42 0.00 0.00 41.96 38.62 2qum s TYR 239 CO 0.43 -2.42 1.25 -3.47 0.64 0.00 0.00 175.55 171.97 2qum n ASP 240 N 7.93 2.97 -3.22 4.32 2.03 -1.26 -4.81 116.55 124.51 2qum n ASP 240 Ca 0.17 -2.20 -0.19 0.00 0.52 0.00 0.00 54.79 53.09 2qum n ASP 240 Cb 0.46 -0.26 0.14 0.00 -0.72 0.00 0.00 41.12 40.74 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 0.18 -1.75 3.76 0.27 0.00 -1.26 -4.27 105.19 102.11 2qum n GLY 241 Ca 0.12 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.71 2.58 -0.05 2.61 -4.23 -1.26 -4.07 115.64 108.52 2qum s THR 242 Ca 0.48 0.44 -0.00 0.00 -1.18 0.00 0.00 61.69 61.43 2qum s THR 242 Cb -0.02 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 70.62 2qum s THR 242 CO 0.35 -0.00 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.79 2qum s ILE 243 N -1.42 0.29 -0.06 2.99 1.01 -0.53 -3.18 121.20 120.30 2qum s ILE 243 Ca 0.67 0.09 0.02 0.00 0.00 0.00 0.00 60.65 61.43 2qum s ILE 243 Cb -0.35 -0.40 0.02 0.00 0.01 0.00 0.00 42.46 41.74 2qum s ILE 243 CO 0.42 0.20 -0.10 -0.69 0.00 0.00 0.00 174.94 174.77 2qum s VAL 244 N 1.42 0.97 0.03 2.92 1.01 -0.57 0.62 120.40 126.81 2qum s VAL 244 Ca -0.04 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 2qum s VAL 244 Cb -0.13 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 2qum s VAL 244 CO -0.03 0.32 0.66 0.00 0.00 0.00 0.00 175.10 176.05 2qum s MET 245 N 0.71 4.38 -0.54 2.72 0.23 0.10 -1.42 119.30 125.47 2qum s MET 245 Ca -0.14 0.86 0.04 0.00 -1.03 0.00 0.00 55.69 55.43 2qum s MET 245 Cb -0.15 -3.33 0.16 0.00 -1.53 0.00 0.00 34.83 29.98 2qum s MET 245 CO 0.03 0.39 0.38 -2.00 -2.03 0.00 0.00 175.02 171.79 2qum s GLU 246 N -0.32 1.63 0.21 3.16 2.12 -0.66 -1.76 118.70 123.08 2qum s GLU 246 Ca 0.33 -2.61 -0.20 0.00 0.36 0.00 0.00 54.97 52.86 2qum s GLU 246 Cb -0.19 -2.44 -0.08 0.00 0.26 0.00 0.00 34.13 31.67 2qum s GLU 246 CO 0.20 -1.30 0.71 -2.14 -0.54 0.00 0.00 175.26 172.19 2qum s PRO 247 N -0.51 4.26 -0.26 4.30 0.02 -1.26 -4.79 135.00 136.75 2qum s PRO 247 Ca 0.26 0.87 -0.02 0.00 0.02 0.00 0.00 61.00 62.13 2qum s PRO 247 Cb -0.05 -2.92 0.09 0.00 0.02 0.00 0.00 34.50 31.63 2qum s PRO 247 CO -0.14 0.42 0.08 -0.06 -0.33 0.00 0.00 177.00 176.97 2qum s PHE 248 N -1.48 1.11 0.00 6.54 0.08 -0.39 -4.65 117.98 119.19 2qum s PHE 248 Ca 0.42 -1.20 0.00 0.00 0.12 0.00 0.00 56.93 56.27 2qum s PHE 248 Cb -0.17 -1.26 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 2qum s PHE 248 CO 0.21 -0.77 0.00 -1.33 -0.10 0.00 0.00 175.22 173.24 2qum n MET 249 N 5.02 4.21 -4.15 0.44 2.81 -1.26 -4.70 117.12 119.49 2qum n MET 249 Ca -0.05 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.48 2qum n MET 249 Cb 0.44 -0.55 -0.09 0.00 -0.71 0.00 0.00 33.22 32.31 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 -1.03 3.34 0.58 0.03 0.52 -1.26 -0.56 118.95 120.57 2qum s ARG 250 Ca 0.00 -0.32 0.06 0.00 -0.52 0.00 0.00 55.73 54.96 2qum s ARG 250 Cb 0.00 -3.00 0.08 0.00 0.52 0.00 0.00 34.95 32.55 2qum s ARG 250 CO 0.00 0.62 0.80 -1.59 0.02 0.00 0.00 175.30 175.16 2qum s LYS 251 N -0.63 2.26 0.00 3.54 -2.85 -1.26 -4.51 119.74 116.28 2qum s LYS 251 Ca 0.11 -1.39 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 2qum s LYS 251 Cb -0.12 -2.58 0.00 0.00 -2.06 0.00 0.00 37.83 33.07 2qum s LYS 251 CO 0.02 -0.89 0.00 0.41 0.10 0.00 0.00 175.35 174.99 2qum n GLY 252 N -2.32 3.40 3.92 0.59 0.00 -1.26 -4.96 105.19 104.55 2qum n GLY 252 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 2qum n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qum s GLY 253 N -2.90 2.33 0.33 -0.02 0.00 -1.25 -4.98 107.32 100.83 2qum s GLY 253 Ca 0.00 -1.25 0.07 0.00 0.00 0.00 0.00 44.72 43.53 2qum s GLY 253 CO 0.00 -1.94 1.82 1.76 0.00 0.00 0.00 173.10 174.74 2qum h SER 254 N 0.65 0.31 -0.15 1.64 0.02 -1.72 -1.30 113.55 113.00 2qum h SER 254 Ca -0.35 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.47 2qum h SER 254 Cb 1.31 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 2qum h SER 254 CO 0.55 0.54 -0.06 0.58 -1.14 0.00 0.00 176.83 177.30 2qum h VAL 255 N 0.29 1.31 -0.68 2.27 2.07 -1.67 -2.34 116.25 117.50 2qum h VAL 255 Ca 0.05 -1.08 0.13 0.00 0.82 0.00 0.00 66.70 66.62 2qum h VAL 255 Cb 0.54 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 31.92 2qum h VAL 255 CO 0.04 0.32 0.21 0.28 0.02 0.00 0.00 177.57 178.44 2qum h SER 256 N -0.01 0.13 -0.38 0.57 0.02 -1.55 -1.91 113.55 110.43 2qum h SER 256 Ca 0.04 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2qum h SER 256 Cb 0.52 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 2qum h SER 256 CO 0.02 0.05 0.08 -0.09 -1.14 0.00 0.00 176.83 175.76 2qum h ARG 257 N 0.35 0.61 0.00 3.45 2.43 -1.13 -0.19 114.38 119.91 2qum h ARG 257 Ca 0.37 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2qum h ARG 257 Cb 0.56 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2qum h ARG 257 CO -0.41 0.65 -0.14 0.00 -1.51 0.00 0.00 179.97 178.56 2qum h ALA 258 N 0.93 1.53 -0.34 2.80 0.00 -0.81 -2.70 119.26 120.67 2qum h ALA 258 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qum h ALA 258 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qum h ALA 258 CO 0.00 0.17 0.00 1.33 0.00 0.00 0.00 179.25 180.76 2qum n VAL 259 N -4.02 0.46 -2.31 0.00 0.24 -0.80 -4.98 118.33 106.91 2qum n VAL 259 Ca -0.02 -0.73 -0.10 0.00 -2.04 0.00 0.00 64.34 61.45 2qum n VAL 259 Cb 0.22 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 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 1.41 0.01 3.39 7.63 0.00 -0.84 -4.97 105.19 111.83 2qum n GLY 260 Ca 0.18 -0.44 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.59 5.07 -0.09 1.61 1.01 -0.14 -4.81 120.40 120.46 2qum s VAL 261 Ca 0.04 -1.78 0.08 0.00 0.00 0.00 0.00 61.98 60.32 2qum s VAL 261 Cb -0.02 -4.61 -0.24 0.00 0.00 0.00 0.00 36.38 31.51 2qum s VAL 261 CO 0.05 -1.26 0.49 0.79 0.00 0.00 0.00 175.10 175.17 2qum n TRP 262 N 5.58 0.92 -4.34 5.22 5.03 -1.26 -4.46 117.44 124.13 2qum n TRP 262 Ca 0.13 0.29 -0.29 0.00 3.03 0.00 0.00 57.50 60.66 2qum n TRP 262 Cb 0.47 -1.15 -0.12 0.00 -1.03 0.00 0.00 31.31 29.47 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 -2.57 1.60 0.21 -0.99 1.70 -1.26 -4.88 118.95 112.76 2qum s ARG 263 Ca -0.11 -1.26 -0.32 0.00 -0.47 0.00 0.00 55.73 53.57 2qum s ARG 263 Cb 0.07 -2.01 -0.13 0.00 -0.57 0.00 0.00 34.95 32.32 2qum s ARG 263 CO 0.80 0.47 1.61 -3.47 -1.08 0.00 0.00 175.30 173.63 2qum n ASP 264 N 0.84 3.52 -0.17 -2.89 2.03 -1.26 -4.68 116.55 113.94 2qum n ASP 264 Ca -0.17 1.09 0.03 0.00 0.52 0.00 0.00 54.79 56.26 2qum n ASP 264 Cb 0.53 -1.51 0.01 0.00 -0.72 0.00 0.00 41.12 39.43 2qum n ASP 264 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2qum n MET 265 N 3.21 0.95 -0.04 -0.67 2.81 0.27 -4.63 117.12 119.03 2qum n MET 265 Ca 0.14 -0.65 0.12 0.00 -1.81 0.00 0.00 57.70 55.50 2qum n MET 265 Cb 0.33 -1.03 0.44 0.00 -0.71 0.00 0.00 33.22 32.25 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 0.01 1.67 -3.25 7.83 3.41 -1.17 -4.92 113.62 117.19 2qum n SER 266 Ca 0.03 -1.62 -0.23 0.00 -0.26 0.00 0.00 58.87 56.79 2qum n SER 266 Cb 0.13 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.31 -5.17 0.00 4.04 4.05 -1.26 -0.54 115.26 116.68 2qum n ASN 267 Ca 0.18 -0.38 0.00 0.00 0.45 0.00 0.00 54.58 54.83 2qum n ASN 267 Cb 0.36 -4.19 0.00 0.00 1.23 0.00 0.00 39.78 37.17 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 -1.44 0.77 3.48 8.20 0.00 -1.26 -4.96 105.19 109.98 2qum n GLY 268 Ca -0.06 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.40 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 1.00 -3.41 -1.96 4.61 0.00 0.30 -4.97 120.51 116.08 2qum n ALA 269 Ca 0.00 0.57 -0.25 0.00 0.00 0.00 0.00 53.44 53.76 2qum n ALA 269 Cb 0.01 -1.74 0.10 0.00 0.00 0.00 0.00 19.45 17.82 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 -0.18 2.24 0.27 0.00 -4.23 -1.26 -4.81 115.64 107.67 2qum s THR 270 Ca 0.85 -0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 60.95 2qum s THR 270 Cb -1.19 -2.86 0.27 0.00 1.34 0.00 0.00 72.50 70.06 2qum s THR 270 CO 0.57 0.00 1.92 0.44 -0.54 0.00 0.00 174.62 177.01 2qum h ASP 271 N -0.65 1.04 -0.53 3.99 3.45 -1.98 0.28 116.42 122.01 2qum h ASP 271 Ca -0.42 -0.01 -0.11 0.00 0.43 0.00 0.00 57.03 56.93 2qum h ASP 271 Cb 1.28 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.80 2qum h ASP 271 CO 0.49 0.71 -0.08 -0.33 -1.57 0.00 0.00 179.24 178.46 2qum h GLU 272 N 1.20 1.01 -0.29 3.56 5.08 -1.99 0.78 114.58 123.94 2qum h GLU 272 Ca 0.38 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 2qum h GLU 272 Cb 0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2qum h GLU 272 CO -0.11 1.04 -0.35 0.93 -1.00 0.00 0.00 179.01 179.52 2qum h GLU 273 N 0.91 0.63 -0.50 2.33 5.08 -1.77 -1.03 114.58 120.23 2qum h GLU 273 Ca 0.15 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2qum h GLU 273 Cb 0.64 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2qum h GLU 273 CO 0.04 0.89 0.31 0.52 -1.00 0.00 0.00 179.01 179.77 2qum h MET 274 N 0.53 0.61 0.50 2.33 2.86 -0.03 -1.37 114.93 120.36 2qum h MET 274 Ca 0.06 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2qum h MET 274 Cb 0.85 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 2qum h MET 274 CO 0.07 0.40 -0.42 -0.44 1.06 0.00 0.00 176.91 177.58 2qum h ASP 275 N 0.62 -1.12 -0.55 1.22 3.32 -0.23 -1.61 116.42 118.07 2qum h ASP 275 Ca 0.20 0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.44 2qum h ASP 275 Cb -0.01 0.36 -0.08 0.00 0.22 0.00 0.00 39.33 39.81 2qum h ASP 275 CO -0.08 -0.60 0.06 -0.08 -1.72 0.00 0.00 179.24 176.83 2qum h GLU 276 N -0.91 0.18 -0.47 3.56 4.57 -0.97 0.13 114.58 120.67 2qum h GLU 276 Ca -0.05 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2qum h GLU 276 Cb 0.78 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 2qum h GLU 276 CO -0.02 0.12 0.28 0.00 -1.18 0.00 0.00 179.01 178.21 2qum h ARG 277 N 0.18 0.63 -0.37 1.92 3.08 -1.09 0.19 114.38 118.92 2qum h ARG 277 Ca 0.28 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.13 2qum h ARG 277 Cb 0.42 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2qum h ARG 277 CO -0.41 0.44 -0.36 0.00 -1.07 0.00 0.00 179.97 178.57 2qum h ALA 278 N 1.67 0.54 0.10 0.04 0.00 0.13 0.17 119.26 121.91 2qum h ALA 278 Ca 0.17 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qum h ALA 278 Cb -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2qum h ALA 278 CO -0.03 0.63 -0.05 0.00 0.00 0.00 0.00 179.25 179.80 2qum h ARG 279 N 0.71 -0.13 -0.78 0.00 3.08 0.16 0.62 114.38 118.04 2qum h ARG 279 Ca 0.06 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.13 2qum h ARG 279 Cb 0.95 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.99 2qum h ARG 279 CO 0.09 -0.09 0.51 -0.09 -1.07 0.00 0.00 179.97 179.32 2qum h ARG 280 N -0.14 1.00 -0.46 0.04 2.43 -0.93 -0.97 114.38 115.34 2qum h ARG 280 Ca -0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2qum h ARG 280 Cb 0.11 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2qum h ARG 280 CO 0.02 0.66 0.17 1.03 -1.51 0.00 0.00 179.97 180.34 2qum h SER 281 N 1.03 0.65 -0.49 -3.80 0.87 -0.09 -0.99 113.55 110.73 2qum h SER 281 Ca 0.29 -0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2qum h SER 281 Cb -0.09 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 2qum h SER 281 CO -0.08 0.65 0.30 0.25 -0.53 0.00 0.00 176.83 177.43 2qum h LEU 282 N 0.61 0.49 -0.87 2.23 5.85 0.85 -1.66 115.31 122.82 2qum h LEU 282 Ca 0.15 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 2qum h LEU 282 Cb 0.22 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2qum h LEU 282 CO -0.01 0.35 -0.19 -0.61 -0.34 0.00 0.00 178.44 177.64 2qum h GLN 283 N 0.60 0.63 -1.01 1.25 4.15 -1.02 -1.14 115.11 118.58 2qum h GLN 283 Ca 0.19 -0.23 0.03 0.00 0.77 0.00 0.00 58.65 59.42 2qum h GLN 283 Cb 0.00 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.59 2qum h GLN 283 CO -0.08 0.78 0.66 0.35 -1.93 0.00 0.00 178.83 178.62 2qum h PHE 284 N 0.57 1.24 -0.06 3.99 3.57 -0.67 -1.22 116.94 124.36 2qum h PHE 284 Ca 0.09 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 2qum h PHE 284 Cb 0.64 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2qum h PHE 284 CO 0.03 0.73 -0.13 0.28 -2.23 0.00 0.00 178.31 176.99 2qum h VAL 285 N 1.30 1.43 -0.43 1.41 2.07 -0.76 -2.71 116.25 118.57 2qum h VAL 285 Ca 0.39 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.48 2qum h VAL 285 Cb -0.04 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2qum h VAL 285 CO -0.11 0.41 0.29 0.03 0.02 0.00 0.00 177.57 178.20 2qum h ARG 286 N -0.32 0.41 -0.01 1.57 3.08 -1.04 0.21 114.38 118.28 2qum h ARG 286 Ca -0.00 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 2qum h ARG 286 Cb 0.73 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 2qum h ARG 286 CO 0.03 0.27 -0.62 -0.44 -1.07 0.00 0.00 179.97 178.14 2qum h ASP 287 N 0.42 0.05 1.91 7.04 3.45 -1.21 -0.31 116.42 127.79 2qum h ASP 287 Ca 0.18 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.60 2qum h ASP 287 Cb 0.18 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.93 2qum h ASP 287 CO -0.04 0.66 -0.09 0.11 -1.57 0.00 0.00 179.24 178.31 2qum h LYS 288 N 0.03 0.00 0.00 3.56 1.79 -0.86 -3.22 116.57 117.87 2qum h LYS 288 Ca -0.01 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.24 2qum h LYS 288 Cb 1.10 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.72 2qum h LYS 288 CO 0.08 0.02 -1.42 -0.07 -1.08 0.00 0.00 179.45 176.98 2qum h LEU 289 N 0.00 0.00 0.00 2.94 4.07 -0.73 -3.46 115.31 118.13 2qum h LEU 289 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2qum h LEU 289 Cb 1.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.75 2qum h LEU 289 CO 0.00 0.82 0.00 0.00 -1.08 0.00 0.00 178.44 178.18