#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qum s LYS 2 N 0.00 3.08 -0.23 2.12 1.02 -1.26 -0.71 119.74 123.77 1qum s LYS 2 Ca 0.00 -0.49 -0.06 0.00 0.02 0.00 0.00 55.97 55.44 1qum s LYS 2 Cb 0.00 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 1qum s LYS 2 CO 0.00 0.64 0.02 0.71 -0.92 0.00 0.00 175.35 175.81 1qum s TYR 3 N -1.22 3.04 -0.11 3.18 2.02 -1.25 -4.93 117.35 118.08 1qum s TYR 3 Ca 0.24 -0.55 -0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1qum s TYR 3 Cb -0.12 -2.16 0.02 0.00 -0.40 0.00 0.00 41.96 39.30 1qum s TYR 3 CO 0.15 -0.37 -0.08 0.42 -1.57 0.00 0.00 175.55 174.11 1qum s ILE 4 N 1.41 1.02 0.00 2.71 1.01 -1.25 -1.00 121.20 125.09 1qum s ILE 4 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.41 1qum s ILE 4 Cb -0.15 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.29 1qum s ILE 4 CO 0.01 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.93 1qum n GLY 5 N 4.86 4.08 3.26 6.18 0.00 0.24 -0.35 105.19 123.47 1qum n GLY 5 Ca -0.13 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1qum n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qum s ALA 6 N -1.32 -0.19 -0.78 4.61 0.00 -1.25 -0.32 121.76 122.51 1qum s ALA 6 Ca 0.00 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.02 1qum s ALA 6 Cb 0.00 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1qum s ALA 6 CO 0.00 -0.57 1.51 -1.58 0.00 0.00 0.00 175.76 175.12 1qum s HIS 7 N -3.90 2.14 0.53 0.00 2.46 -0.55 -2.20 115.29 113.77 1qum s HIS 7 Ca 0.09 0.05 -0.04 0.00 0.47 0.00 0.00 55.06 55.63 1qum s HIS 7 Cb 0.04 -4.46 -0.00 0.00 -0.13 0.00 0.00 32.58 28.02 1qum s HIS 7 CO -0.07 -2.07 0.81 0.14 -2.47 0.00 0.00 174.74 171.08 1qum s VAL 8 N 6.77 4.04 0.27 0.89 -7.23 -0.96 -4.94 120.40 119.24 1qum s VAL 8 Ca 0.48 -0.09 -0.29 0.00 -1.81 0.00 0.00 61.98 60.27 1qum s VAL 8 Cb -0.07 -3.56 -0.09 0.00 0.56 0.00 0.00 36.38 33.22 1qum s VAL 8 CO 0.10 -0.52 1.10 -0.55 -0.31 0.00 0.00 175.10 174.91 1qum s SER 9 N -4.23 7.28 -0.25 4.85 0.15 -1.26 -4.59 113.70 115.64 1qum s SER 9 Ca 0.51 2.26 0.12 0.00 0.70 0.00 0.00 55.95 59.54 1qum s SER 9 Cb -0.10 -2.63 0.55 0.00 -1.71 0.00 0.00 66.02 62.13 1qum s SER 9 CO 0.43 -0.14 1.51 0.00 1.20 0.00 0.00 173.24 176.24 1qum n ALA 10 N 1.26 3.79 -1.73 5.45 0.00 -1.26 -3.53 120.51 124.49 1qum n ALA 10 Ca -0.01 -2.66 -0.42 0.00 0.00 0.00 0.00 53.44 50.35 1qum n ALA 10 Cb 0.45 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 1qum n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qum n ALA 11 N -0.74 2.36 -0.98 0.00 0.00 -1.26 -2.02 120.51 117.88 1qum n ALA 11 Ca 0.30 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1qum n ALA 11 Cb 1.04 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1qum n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qum n GLY 12 N 2.51 0.71 0.00 0.00 0.00 -1.26 -4.83 105.19 102.32 1qum n GLY 12 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1qum n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qum n GLY 13 N -2.58 4.67 0.24 -0.02 0.00 -0.86 -4.88 105.19 101.78 1qum n GLY 13 Ca 0.00 -1.12 0.07 0.00 0.00 0.00 0.00 46.02 44.97 1qum n GLY 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qum h LEU 14 N 0.00 0.00 -1.63 0.99 3.38 -1.89 -1.59 115.31 114.57 1qum h LEU 14 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1qum h LEU 14 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1qum h LEU 14 CO 0.00 0.08 -0.01 0.00 0.09 0.00 0.00 178.44 178.60 1qum h ALA 15 N 1.92 1.70 -0.72 1.53 0.00 -1.85 -1.16 119.26 120.67 1qum h ALA 15 Ca -0.00 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1qum h ALA 15 Cb 0.15 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1qum h ALA 15 CO 0.01 0.23 0.48 -0.91 0.00 0.00 0.00 179.25 179.06 1qum h ASN 16 N 0.21 0.55 -0.33 0.00 -0.26 -1.60 -0.87 115.58 113.28 1qum h ASN 16 Ca 0.05 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.79 1qum h ASN 16 Cb 0.18 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 1qum h ASN 16 CO 0.00 0.33 0.14 0.00 -1.06 0.00 0.00 177.43 176.84 1qum h ALA 17 N 1.63 0.42 -0.73 -0.83 0.00 -1.25 0.24 119.26 118.74 1qum h ALA 17 Ca 0.33 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1qum h ALA 17 Cb 0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1qum h ALA 17 CO -0.12 0.00 0.27 0.00 0.00 0.00 0.00 179.25 179.41 1qum h ALA 18 N 0.99 0.95 -0.45 0.00 0.00 -1.30 0.11 119.26 119.56 1qum h ALA 18 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1qum h ALA 18 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1qum h ALA 18 CO -0.01 0.60 0.20 0.82 0.00 0.00 0.00 179.25 180.86 1qum h ILE 19 N 1.06 1.19 -0.34 0.00 2.04 -0.79 -1.81 117.51 118.86 1qum h ILE 19 Ca 0.24 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1qum h ILE 19 Cb 0.25 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1qum h ILE 19 CO -0.02 0.21 -0.01 0.03 0.00 0.00 0.00 178.15 178.37 1qum h ARG 20 N 0.58 0.53 -0.51 2.37 3.08 -0.35 -1.92 114.38 118.16 1qum h ARG 20 Ca 0.15 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1qum h ARG 20 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1qum h ARG 20 CO -0.02 0.57 0.06 0.00 -1.07 0.00 0.00 179.97 179.51 1qum h ALA 21 N 1.49 0.68 -0.14 0.04 0.00 -0.59 -2.67 119.26 118.07 1qum h ALA 21 Ca 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1qum h ALA 21 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qum h ALA 21 CO 0.01 0.44 -0.07 0.00 0.00 0.00 0.00 179.25 179.64 1qum h ALA 22 N 0.96 1.62 0.00 0.00 0.00 -0.97 -1.10 119.26 119.78 1qum h ALA 22 Ca 0.15 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1qum h ALA 22 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1qum h ALA 22 CO 0.02 0.28 -0.33 0.93 0.00 0.00 0.00 179.25 180.15 1qum h GLU 23 N 0.21 0.00 -0.66 0.00 5.08 -1.01 -1.88 114.58 116.32 1qum h GLU 23 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1qum h GLU 23 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1qum h GLU 23 CO 0.01 0.33 0.00 0.44 -1.00 0.00 0.00 179.01 178.79 1qum n ILE 24 N -3.69 1.47 -3.22 3.13 -5.35 -0.96 -4.92 119.36 105.81 1qum n ILE 24 Ca -0.01 -1.12 -0.23 0.00 -0.27 0.00 0.00 62.75 61.12 1qum n ILE 24 Cb 0.43 0.29 0.04 0.00 -1.74 0.00 0.00 39.64 38.67 1qum n ILE 24 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1qum n ASP 25 N 1.28 -6.05 -4.78 7.28 2.03 -0.71 -4.53 116.55 111.07 1qum n ASP 25 Ca 0.25 -0.38 -0.34 0.00 0.52 0.00 0.00 54.79 54.84 1qum n ASP 25 Cb 0.76 -4.86 -0.01 0.00 -0.72 0.00 0.00 41.12 36.30 1qum n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qum s ALA 26 N -3.21 2.74 -0.32 -1.67 0.00 -0.46 -4.95 121.76 113.89 1qum s ALA 26 Ca 0.40 0.72 0.15 0.00 0.00 0.00 0.00 51.96 53.23 1qum s ALA 26 Cb -0.18 -3.32 0.45 0.00 0.00 0.00 0.00 23.12 20.07 1qum s ALA 26 CO 0.49 -0.66 1.35 0.25 0.00 0.00 0.00 175.76 177.19 1qum n THR 27 N -1.30 1.96 -3.55 0.00 -2.24 0.52 -4.71 114.28 104.96 1qum n THR 27 Ca 0.11 -1.71 -0.11 0.00 -2.27 0.00 0.00 64.05 60.07 1qum n THR 27 Cb 0.52 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 1qum n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qum s ALA 28 N -2.41 -1.41 0.18 6.98 0.00 -1.15 -3.97 121.76 119.98 1qum s ALA 28 Ca 0.36 0.23 -0.20 0.00 0.00 0.00 0.00 51.96 52.34 1qum s ALA 28 Cb 0.28 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.31 1qum s ALA 28 CO 0.09 -0.81 0.57 -0.59 0.00 0.00 0.00 175.76 175.02 1qum s PHE 29 N -3.80 -0.34 0.25 0.00 -0.12 -0.71 -3.75 117.98 109.52 1qum s PHE 29 Ca 0.04 0.04 0.09 0.00 -0.05 0.00 0.00 56.93 57.05 1qum s PHE 29 Cb -0.02 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.82 1qum s PHE 29 CO -0.08 -0.90 -0.13 0.00 -0.05 0.00 0.00 175.22 174.06 1qum s ALA 30 N -3.81 2.36 0.12 1.99 0.00 -0.93 -1.16 121.76 120.33 1qum s ALA 30 Ca 0.05 -1.81 -0.25 0.00 0.00 0.00 0.00 51.96 49.95 1qum s ALA 30 Cb -0.01 -0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.12 1qum s ALA 30 CO -0.07 0.08 0.76 -0.48 0.00 0.00 0.00 175.76 176.05 1qum s LEU 31 N -3.42 -0.40 -0.12 0.00 2.34 -1.25 -2.27 118.68 113.56 1qum s LEU 31 Ca 0.27 -0.15 -0.13 0.00 0.06 0.00 0.00 54.13 54.17 1qum s LEU 31 Cb -0.00 2.37 -0.05 0.00 -0.56 0.00 0.00 46.19 47.95 1qum s LEU 31 CO 0.11 -0.91 0.30 -0.36 -1.06 0.00 0.00 176.35 174.43 1qum s PHE 32 N -3.51 3.53 -1.44 3.48 0.40 -1.26 -1.30 117.98 117.88 1qum s PHE 32 Ca 0.05 0.68 0.28 0.00 -0.60 0.00 0.00 56.93 57.34 1qum s PHE 32 Cb -0.02 -2.29 1.12 0.00 0.51 0.00 0.00 43.02 42.35 1qum s PHE 32 CO -0.06 0.38 1.81 0.25 0.70 0.00 0.00 175.22 178.30 1qum n THR 33 N 3.02 0.00 -3.66 0.64 -2.24 -1.26 -4.81 114.28 105.97 1qum n THR 33 Ca -0.13 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 1qum n THR 33 Cb 0.52 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 1qum n THR 33 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1qum s LYS 34 N -2.64 1.53 0.26 -0.78 -2.85 -1.26 -5.01 119.74 108.99 1qum s LYS 34 Ca 0.24 -0.75 -0.31 0.00 -1.00 0.00 0.00 55.97 54.15 1qum s LYS 34 Cb 0.19 0.59 -0.13 0.00 -2.06 0.00 0.00 37.83 36.43 1qum s LYS 34 CO 0.52 -0.68 1.38 -1.71 0.10 0.00 0.00 175.35 174.96 1qum n ASN 35 N -0.41 2.75 -0.21 0.03 2.85 -1.26 -4.87 115.26 114.14 1qum n ASN 35 Ca -0.10 1.15 0.13 0.00 -0.11 0.00 0.00 54.58 55.65 1qum n ASN 35 Cb 0.62 -1.44 0.31 0.00 1.24 0.00 0.00 39.78 40.51 1qum n ASN 35 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qum n GLN 36 N 1.74 0.68 -0.23 1.20 0.00 -1.26 -3.78 117.38 115.72 1qum n GLN 36 Ca 0.10 -0.42 0.07 0.00 0.00 0.00 0.00 57.00 56.75 1qum n GLN 36 Cb 0.32 -1.49 0.19 0.00 0.00 0.00 0.00 30.24 29.27 1qum n GLN 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1qum n ARG 37 N -0.79 2.86 -4.22 2.61 1.74 -1.26 -0.82 116.66 116.78 1qum n ARG 37 Ca 0.10 -2.21 -0.17 0.00 -0.77 0.00 0.00 57.85 54.81 1qum n ARG 37 Cb 0.35 -1.36 -0.13 0.00 -1.02 0.00 0.00 32.46 30.30 1qum n ARG 37 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1qum s GLN 38 N -1.07 0.64 0.08 5.56 -0.21 -1.25 -4.99 119.66 118.42 1qum s GLN 38 Ca 0.29 -0.52 -0.16 0.00 0.02 0.00 0.00 55.36 54.99 1qum s GLN 38 Cb 0.16 -0.57 -0.13 0.00 1.00 0.00 0.00 33.01 33.47 1qum s GLN 38 CO 0.19 0.14 1.33 -1.49 -2.12 0.00 0.00 175.29 173.35 1qum h TRP 39 N 5.29 0.79 -3.29 0.91 4.06 -1.94 -3.46 115.95 118.30 1qum h TRP 39 Ca -0.33 -0.29 -0.65 0.00 2.06 0.00 0.00 58.89 59.68 1qum h TRP 39 Cb 1.19 -0.15 -0.12 0.00 -1.00 0.00 0.00 29.16 29.09 1qum h TRP 39 CO 0.51 1.05 -0.63 0.50 -3.56 0.00 0.00 178.44 176.30 1qum s ARG 40 N -4.04 2.76 0.00 0.49 6.06 -1.26 -5.04 118.95 117.92 1qum s ARG 40 Ca -0.12 -0.69 -0.19 0.00 -2.50 0.00 0.00 55.73 52.23 1qum s ARG 40 Cb 0.07 -2.66 0.04 0.00 0.06 0.00 0.00 34.95 32.46 1qum s ARG 40 CO 0.83 0.59 0.41 0.00 -2.50 0.00 0.00 175.30 174.63 1qum s ALA 41 N -1.24 -1.04 0.49 6.12 0.00 -1.26 -4.96 121.76 119.87 1qum s ALA 41 Ca 0.24 0.50 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 1qum s ALA 41 Cb -0.12 0.16 -0.07 0.00 0.00 0.00 0.00 23.12 23.09 1qum s ALA 41 CO 0.16 -0.35 1.40 0.00 0.00 0.00 0.00 175.76 176.97 1qum n ALA 42 N 0.92 1.86 -1.50 0.00 0.00 -1.26 -4.95 120.51 115.59 1qum n ALA 42 Ca -0.20 0.20 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1qum n ALA 42 Cb 0.58 -2.38 0.06 0.00 0.00 0.00 0.00 19.45 17.71 1qum n ALA 42 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1qum n PRO 43 N -0.51 0.66 -2.01 0.00 -0.02 -1.26 -4.90 135.00 126.96 1qum n PRO 43 Ca 0.07 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 1qum n PRO 43 Cb 0.43 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1qum n PRO 43 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qum s LEU 44 N -1.66 4.37 0.49 2.45 1.43 -1.26 -5.00 118.68 119.50 1qum s LEU 44 Ca 0.73 2.55 -0.18 0.00 -1.03 0.00 0.00 54.13 56.20 1qum s LEU 44 Cb -0.39 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.14 1qum s LEU 44 CO 0.50 -0.76 0.98 0.42 0.23 0.00 0.00 176.35 177.71 1qum s THR 45 N 0.98 4.43 0.49 5.49 -4.23 -1.26 -4.96 115.64 116.57 1qum s THR 45 Ca 0.67 1.28 0.14 0.00 -1.18 0.00 0.00 61.69 62.61 1qum s THR 45 Cb -0.42 -3.66 0.25 0.00 1.34 0.00 0.00 72.50 70.02 1qum s THR 45 CO 0.33 -0.55 2.10 0.71 -0.54 0.00 0.00 174.62 176.67 1qum h THR 46 N 1.23 1.05 -0.17 3.99 1.35 -1.99 -1.79 112.91 116.58 1qum h THR 46 Ca -0.48 -0.17 -0.10 0.00 -0.55 0.00 0.00 66.41 65.12 1qum h THR 46 Cb 1.19 0.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1qum h THR 46 CO 0.61 0.06 -0.27 -0.61 -0.25 0.00 0.00 175.52 175.06 1qum h GLN 47 N 0.09 0.48 -0.32 4.72 4.15 -1.98 0.72 115.11 122.97 1qum h GLN 47 Ca 0.02 -0.29 0.06 0.00 0.77 0.00 0.00 58.65 59.22 1qum h GLN 47 Cb 0.06 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.72 1qum h GLN 47 CO 0.00 0.88 -0.07 1.15 -1.93 0.00 0.00 178.83 178.87 1qum h THR 48 N 0.12 0.69 -0.12 2.39 2.02 -1.85 0.32 112.91 116.48 1qum h THR 48 Ca 0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1qum h THR 48 Cb 0.84 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1qum h THR 48 CO 0.06 0.00 0.08 0.40 0.37 0.00 0.00 175.52 176.43 1qum h ILE 49 N 0.02 1.06 -0.31 3.11 2.04 -1.28 -0.61 117.51 121.53 1qum h ILE 49 Ca 0.16 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.77 1qum h ILE 49 Cb 0.23 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1qum h ILE 49 CO -0.32 0.05 -0.27 -0.78 0.00 0.00 0.00 178.15 176.83 1qum h ASP 50 N 0.14 0.65 -0.83 1.72 1.82 -0.45 -0.95 116.42 118.53 1qum h ASP 50 Ca 0.04 -0.24 -0.04 0.00 -0.39 0.00 0.00 57.03 56.40 1qum h ASP 50 Cb 0.02 -0.18 -0.04 0.00 0.68 0.00 0.00 39.33 39.81 1qum h ASP 50 CO -0.01 0.89 0.37 -0.33 -1.61 0.00 0.00 179.24 178.55 1qum h GLU 51 N 0.55 1.22 0.04 0.28 5.08 -0.21 0.49 114.58 122.03 1qum h GLU 51 Ca 0.07 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1qum h GLU 51 Cb 0.75 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1qum h GLU 51 CO 0.06 0.96 -0.02 0.35 -1.00 0.00 0.00 179.01 179.36 1qum h PHE 52 N 1.20 -0.05 -0.61 4.33 3.57 -0.81 -1.11 116.94 123.45 1qum h PHE 52 Ca 0.28 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 1qum h PHE 52 Cb 0.17 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1qum h PHE 52 CO 0.02 0.20 0.25 0.87 -2.23 0.00 0.00 178.31 177.42 1qum h LYS 53 N -0.30 0.87 -0.53 1.11 1.57 -1.03 -0.89 116.57 117.37 1qum h LYS 53 Ca -0.01 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 1qum h LYS 53 Cb 0.27 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1qum h LYS 53 CO 0.01 0.71 0.13 0.00 -0.57 0.00 0.00 179.45 179.72 1qum h ALA 54 N 1.41 0.69 -0.80 3.86 0.00 -0.80 -1.75 119.26 121.87 1qum h ALA 54 Ca 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1qum h ALA 54 Cb 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1qum h ALA 54 CO -0.02 0.39 0.41 0.00 0.00 0.00 0.00 179.25 180.04 1qum h ALA 55 N 1.00 1.03 -0.57 0.00 0.00 -0.69 0.26 119.26 120.30 1qum h ALA 55 Ca 0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1qum h ALA 55 Cb 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1qum h ALA 55 CO 0.00 0.57 0.04 0.00 0.00 0.00 0.00 179.25 179.86 1qum h GLU 57 N 0.88 0.47 -0.63 0.00 4.57 -0.97 0.87 114.58 119.77 1qum h GLU 57 Ca 0.17 -0.11 0.06 0.00 -1.18 0.00 0.00 59.36 58.31 1qum h GLU 57 Cb 0.46 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.93 1qum h GLU 57 CO 0.02 0.53 0.32 -0.22 -1.18 0.00 0.00 179.01 178.49 1qum h LYS 58 N 0.31 0.58 -0.71 1.92 3.64 -0.61 -2.86 116.57 118.84 1qum h LYS 58 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1qum h LYS 58 Cb 0.27 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1qum h LYS 58 CO -0.00 0.38 0.00 0.66 -2.27 0.00 0.00 179.45 178.22 1qum n TYR 59 N -4.84 1.23 -3.13 1.91 4.01 -0.51 -4.97 117.16 110.85 1qum n TYR 59 Ca 0.08 -0.55 -0.14 0.00 -0.16 0.00 0.00 57.90 57.13 1qum n TYR 59 Cb 0.19 -0.11 0.06 0.00 -0.31 0.00 0.00 39.34 39.16 1qum n TYR 59 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1qum n HIS 60 N 1.45 -1.77 -3.65 -0.72 8.25 0.14 -5.00 115.22 113.93 1qum n HIS 60 Ca 0.26 0.67 -0.39 0.00 -0.26 0.00 0.00 57.72 58.00 1qum n HIS 60 Cb 0.75 -3.94 -0.11 0.00 1.12 0.00 0.00 29.99 27.81 1qum n HIS 60 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1qum s TYR 61 N -3.23 3.28 0.66 4.41 2.02 -0.26 -5.04 117.35 119.19 1qum s TYR 61 Ca 0.22 -1.28 -0.05 0.00 -0.37 0.00 0.00 57.07 55.59 1qum s TYR 61 Cb -0.10 -2.52 0.05 0.00 -0.40 0.00 0.00 41.96 38.99 1qum s TYR 61 CO 0.50 -0.73 0.95 0.95 -1.57 0.00 0.00 175.55 175.65 1qum s THR 62 N 1.46 2.40 0.52 -0.71 -4.23 -1.26 -4.51 115.64 109.31 1qum s THR 62 Ca 0.01 -0.37 0.38 0.00 -1.18 0.00 0.00 61.69 60.54 1qum s THR 62 Cb -0.20 -3.01 0.40 0.00 1.34 0.00 0.00 72.50 71.03 1qum s THR 62 CO 0.04 -0.01 2.25 -1.28 -0.54 0.00 0.00 174.62 175.08 1qum h SER 63 N -0.42 0.00 0.88 3.99 0.87 -1.94 -1.14 113.55 115.79 1qum h SER 63 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1qum h SER 63 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1qum h SER 63 CO 0.58 0.02 0.00 0.00 -0.53 0.00 0.00 176.83 176.90 1qum n ALA 64 N -2.15 1.84 0.62 6.23 0.00 -1.26 -2.61 120.51 123.18 1qum n ALA 64 Ca -0.02 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.53 1qum n ALA 64 Cb 0.14 -1.39 0.08 0.00 0.00 0.00 0.00 19.45 18.28 1qum n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qum n GLN 65 N -2.10 1.36 -5.16 0.00 6.02 -0.43 -4.07 117.38 112.99 1qum n GLN 65 Ca 0.03 -1.52 -0.31 0.00 -0.01 0.00 0.00 57.00 55.19 1qum n GLN 65 Cb 0.27 -1.32 -0.17 0.00 1.02 0.00 0.00 30.24 30.05 1qum n GLN 65 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1qum s ILE 66 N -1.33 1.95 -0.62 5.09 1.01 -1.07 -1.74 121.20 124.48 1qum s ILE 66 Ca 0.20 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.92 1qum s ILE 66 Cb 0.14 -1.68 0.18 0.00 0.01 0.00 0.00 42.46 41.10 1qum s ILE 66 CO 0.21 0.54 0.48 -0.11 0.00 0.00 0.00 174.94 176.05 1qum n LEU 67 N 3.35 2.14 -4.74 2.97 7.94 -0.31 -4.59 117.00 123.77 1qum n LEU 67 Ca -0.19 -5.01 -0.35 0.00 -1.11 0.00 0.00 56.01 49.35 1qum n LEU 67 Cb 0.53 -0.39 0.07 0.00 0.53 0.00 0.00 43.42 44.15 1qum n LEU 67 CO 0.27 1.81 0.82 -2.16 -1.11 0.00 0.00 177.39 177.02 1qum s PRO 68 N -1.16 2.53 -0.05 1.96 0.04 -1.26 -3.76 135.00 133.30 1qum s PRO 68 Ca 0.28 1.77 0.06 0.00 0.04 0.00 0.00 61.00 63.15 1qum s PRO 68 Cb -0.00 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1qum s PRO 68 CO -0.17 -1.54 -0.22 -1.58 0.04 0.00 0.00 177.00 173.53 1qum s HIS 69 N -1.83 2.49 0.93 0.56 2.46 -0.42 -0.14 115.29 119.34 1qum s HIS 69 Ca 0.75 -0.52 -0.15 0.00 0.47 0.00 0.00 55.06 55.62 1qum s HIS 69 Cb -0.29 -1.60 0.18 0.00 -0.13 0.00 0.00 32.58 30.74 1qum s HIS 69 CO 0.40 -0.08 1.29 0.16 -2.47 0.00 0.00 174.74 174.04 1qum s ASP 70 N -0.37 3.34 0.46 9.88 -4.77 -0.18 -4.43 116.67 120.60 1qum s ASP 70 Ca 0.03 0.30 -0.25 0.00 -3.30 0.00 0.00 52.55 49.33 1qum s ASP 70 Cb -0.12 -0.42 -0.08 0.00 -1.09 0.00 0.00 42.92 41.21 1qum s ASP 70 CO 0.02 -2.59 1.43 -0.24 0.70 0.00 0.00 175.17 174.49 1qum n SER 71 N -3.67 3.27 0.26 2.11 2.88 -1.26 -4.93 113.62 112.28 1qum n SER 71 Ca 0.14 1.10 0.17 0.00 -1.33 0.00 0.00 58.87 58.96 1qum n SER 71 Cb 0.60 -1.60 0.78 0.00 -0.75 0.00 0.00 64.21 63.23 1qum n SER 71 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1qum h TYR 72 N 2.19 0.00 0.00 0.66 0.05 -1.35 -3.23 116.97 115.29 1qum h TYR 72 Ca -0.51 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.25 1qum h TYR 72 Cb 1.27 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.01 1qum h TYR 72 CO 0.49 0.00 -0.19 -0.07 -1.05 0.00 0.00 178.16 177.34 1qum h LEU 73 N 0.00 0.00 -9.46 3.88 3.38 -1.92 -3.46 115.31 107.74 1qum h LEU 73 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1qum h LEU 73 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1qum h LEU 73 CO 0.00 0.09 0.71 -0.63 0.09 0.00 0.00 178.44 178.70 1qum s ILE 74 N -3.18 3.70 -0.32 1.22 1.01 -1.22 -4.98 121.20 117.42 1qum s ILE 74 Ca 0.06 1.17 0.03 0.00 0.00 0.00 0.00 60.65 61.91 1qum s ILE 74 Cb 0.06 -3.75 0.10 0.00 0.01 0.00 0.00 42.46 38.87 1qum s ILE 74 CO 0.69 0.05 0.05 0.21 0.00 0.00 0.00 174.94 175.95 1qum s ASN 75 N 1.37 4.52 0.00 3.58 3.84 -1.26 -4.87 114.94 122.12 1qum s ASN 75 Ca 0.62 -1.95 0.29 0.00 0.21 0.00 0.00 52.86 52.03 1qum s ASN 75 Cb -0.32 -1.40 1.70 0.00 -0.55 0.00 0.00 41.25 40.68 1qum s ASN 75 CO 0.28 -0.38 2.07 0.18 -2.79 0.00 0.00 177.10 176.46 1qum n LEU 76 N 4.44 0.00 -0.26 3.21 4.77 -1.25 -2.73 117.00 125.17 1qum n LEU 76 Ca 0.01 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.08 1qum n LEU 76 Cb 0.42 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.67 1qum n LEU 76 CO 0.19 0.00 0.54 0.61 -1.33 0.00 0.00 177.39 177.40 1qum n GLY 77 N 0.86 4.89 3.67 -0.72 0.00 -1.26 -3.01 105.19 109.62 1qum n GLY 77 Ca 0.21 -1.17 -0.46 0.00 0.00 0.00 0.00 46.02 44.61 1qum n GLY 77 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qum n HIS 78 N -1.31 2.29 0.44 1.61 -0.00 -1.11 -4.66 115.22 112.49 1qum n HIS 78 Ca 0.17 0.28 0.12 0.00 0.46 0.00 0.00 57.72 58.76 1qum n HIS 78 Cb 0.68 -2.54 0.48 0.00 -0.12 0.00 0.00 29.99 28.49 1qum n HIS 78 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1qum n PRO 79 N 3.27 0.22 -3.75 1.57 -0.04 -1.26 -4.57 135.00 130.44 1qum n PRO 79 Ca 0.16 0.38 -0.36 0.00 -0.04 0.00 0.00 63.50 63.64 1qum n PRO 79 Cb 0.29 -1.87 -0.11 0.00 -0.04 0.00 0.00 33.50 31.77 1qum n PRO 79 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1qum s VAL 80 N -3.28 4.89 0.26 0.52 1.01 -1.26 -5.00 120.40 117.54 1qum s VAL 80 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1qum s VAL 80 Cb 0.10 -3.28 0.25 0.00 0.00 0.00 0.00 36.38 33.44 1qum s VAL 80 CO 0.44 0.34 1.71 0.74 0.00 0.00 0.00 175.10 178.34 1qum h THR 81 N 5.24 0.57 -0.24 3.92 2.02 -1.99 0.18 112.91 122.62 1qum h THR 81 Ca -0.37 -0.14 -0.15 0.00 0.77 0.00 0.00 66.41 66.52 1qum h THR 81 Cb 1.18 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1qum h THR 81 CO 0.61 0.07 -0.47 -0.08 0.37 0.00 0.00 175.52 176.02 1qum h GLU 82 N 0.40 0.63 -0.36 6.66 4.57 -1.96 -1.49 114.58 123.02 1qum h GLU 82 Ca 0.46 -0.36 -0.13 0.00 -1.18 0.00 0.00 59.36 58.16 1qum h GLU 82 Cb 0.78 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1qum h GLU 82 CO -0.47 0.96 -0.29 0.00 -1.18 0.00 0.00 179.01 178.04 1qum h ALA 83 N 0.98 0.52 -1.00 2.92 0.00 -1.69 -1.51 119.26 119.48 1qum h ALA 83 Ca 0.03 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.62 1qum h ALA 83 Cb 1.01 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1qum h ALA 83 CO 0.09 0.54 0.64 1.25 0.00 0.00 0.00 179.25 181.78 1qum h LEU 84 N 0.62 0.99 -0.27 0.00 5.85 -1.00 -1.04 115.31 120.46 1qum h LEU 84 Ca 0.07 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.61 1qum h LEU 84 Cb 0.86 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1qum h LEU 84 CO 0.08 0.59 -0.66 -0.33 -0.34 0.00 0.00 178.44 177.77 1qum h GLU 85 N 1.09 0.77 -0.42 1.25 5.08 -0.76 -0.70 114.58 120.90 1qum h GLU 85 Ca 0.46 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1qum h GLU 85 Cb 0.31 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1qum h GLU 85 CO -0.21 1.18 0.22 -0.22 -1.00 0.00 0.00 179.01 178.98 1qum h LYS 86 N 0.56 0.60 -0.72 2.33 3.64 -1.14 0.34 116.57 122.18 1qum h LYS 86 Ca -0.02 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1qum h LYS 86 Cb 1.27 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1qum h LYS 86 CO 0.14 0.50 0.31 0.77 -2.27 0.00 0.00 179.45 178.89 1qum h SER 87 N 0.54 0.98 -0.57 4.20 0.02 -1.13 -0.13 113.55 117.45 1qum h SER 87 Ca 0.15 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1qum h SER 87 Cb 0.09 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1qum h SER 87 CO -0.02 0.87 0.11 0.03 -1.14 0.00 0.00 176.83 176.67 1qum h ARG 88 N 1.02 0.98 -0.49 3.45 3.08 -0.82 0.19 114.38 121.79 1qum h ARG 88 Ca 0.24 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1qum h ARG 88 Cb 0.18 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1qum h ARG 88 CO -0.02 0.90 0.15 -0.44 -1.07 0.00 0.00 179.97 179.48 1qum h ASP 89 N 0.93 0.71 -0.74 7.04 3.32 -0.50 -1.48 116.42 125.70 1qum h ASP 89 Ca 0.19 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1qum h ASP 89 Cb 0.39 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1qum h ASP 89 CO 0.01 0.73 0.33 0.00 -1.72 0.00 0.00 179.24 178.60 1qum h ALA 90 N 1.01 0.96 -0.35 3.45 0.00 -0.66 -2.26 119.26 121.39 1qum h ALA 90 Ca 0.16 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1qum h ALA 90 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1qum h ALA 90 CO -0.00 0.54 -0.14 0.35 0.00 0.00 0.00 179.25 180.00 1qum h PHE 91 N 1.05 0.82 -0.94 0.00 3.57 -0.45 -1.03 116.94 119.96 1qum h PHE 91 Ca 0.25 -0.19 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1qum h PHE 91 Cb 0.15 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 1qum h PHE 91 CO 0.01 0.90 0.61 0.82 -2.23 0.00 0.00 178.31 178.42 1qum h ILE 92 N 0.50 1.05 -0.71 1.41 2.04 -1.16 -1.00 117.51 119.63 1qum h ILE 92 Ca 0.08 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1qum h ILE 92 Cb 0.67 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1qum h ILE 92 CO 0.05 0.19 0.20 -0.78 0.00 0.00 0.00 178.15 177.81 1qum h ASP 93 N 1.05 1.05 -0.58 1.72 1.82 -1.02 0.26 116.42 120.71 1qum h ASP 93 Ca 0.41 -0.21 -0.06 0.00 -0.39 0.00 0.00 57.03 56.79 1qum h ASP 93 Cb 0.23 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.94 1qum h ASP 93 CO -0.16 0.99 0.13 -0.33 -1.61 0.00 0.00 179.24 178.25 1qum h GLU 94 N 1.06 0.94 -0.58 0.28 4.39 -0.48 0.63 114.58 120.83 1qum h GLU 94 Ca 0.23 -0.23 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1qum h GLU 94 Cb 0.33 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1qum h GLU 94 CO -0.00 0.87 0.05 1.98 -1.16 0.00 0.00 179.01 180.75 1qum h MET 95 N 0.85 0.96 -0.38 2.33 4.05 -0.70 -2.10 114.93 119.93 1qum h MET 95 Ca 0.18 -0.26 -0.08 0.00 -0.28 0.00 0.00 59.70 59.26 1qum h MET 95 Cb 0.36 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 1qum h MET 95 CO 0.00 0.92 -0.11 1.96 0.23 0.00 0.00 176.91 179.91 1qum h GLN 96 N 0.89 0.67 -0.23 0.39 4.20 -0.58 -1.44 115.11 119.00 1qum h GLN 96 Ca 0.17 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 1qum h GLN 96 Cb 0.46 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1qum h GLN 96 CO 0.02 0.76 -0.20 0.00 -0.67 0.00 0.00 178.83 178.73 1qum h ARG 97 N 0.61 0.42 -0.47 1.46 3.08 -0.45 -1.20 114.38 117.83 1qum h ARG 97 Ca 0.11 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1qum h ARG 97 Cb 0.55 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1qum h ARG 97 CO 0.03 0.61 0.29 0.00 -1.07 0.00 0.00 179.97 179.83 1qum h GLU 99 N 0.59 0.09 -0.46 0.00 5.08 -0.78 0.14 114.58 119.24 1qum h GLU 99 Ca 0.18 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1qum h GLU 99 Cb -0.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1qum h GLU 99 CO -0.06 0.06 0.19 1.96 -1.00 0.00 0.00 179.01 180.16 1qum h GLN 100 N 0.09 0.64 -0.01 2.33 4.20 -0.92 -2.35 115.11 119.10 1qum h GLN 100 Ca 0.23 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1qum h GLN 100 Cb 0.33 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1qum h GLN 100 CO -0.39 0.52 -0.08 1.28 -0.67 0.00 0.00 178.83 179.49 1qum n LEU 101 N -4.37 1.11 -0.39 1.46 4.77 -0.49 -4.92 117.00 114.16 1qum n LEU 101 Ca 0.03 -0.33 -0.04 0.00 -0.03 0.00 0.00 56.01 55.64 1qum n LEU 101 Cb 0.14 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1qum n LEU 101 CO 0.37 0.19 -0.05 0.61 -1.33 0.00 0.00 177.39 177.19 1qum n GLY 102 N 1.22 0.54 3.88 -0.72 0.00 -0.46 -4.82 105.19 104.82 1qum n GLY 102 Ca 0.17 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1qum n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qum s LEU 103 N -1.08 4.35 0.00 0.99 1.43 0.35 -4.66 118.68 120.05 1qum s LEU 103 Ca 0.00 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1qum s LEU 103 Cb 0.00 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 43.34 1qum s LEU 103 CO 0.00 0.19 0.56 -1.54 0.23 0.00 0.00 176.35 175.79 1qum n SER 104 N 0.88 1.17 -4.13 2.29 3.41 -1.26 -4.29 113.62 111.69 1qum n SER 104 Ca -0.08 -1.09 -0.22 0.00 -0.26 0.00 0.00 58.87 57.22 1qum n SER 104 Cb 0.52 0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.36 1qum n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qum s LEU 105 N -0.27 2.08 -0.16 1.04 1.43 -1.26 -0.64 118.68 120.90 1qum s LEU 105 Ca 0.03 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1qum s LEU 105 Cb 0.02 -0.72 0.06 0.00 0.03 0.00 0.00 46.19 45.58 1qum s LEU 105 CO 0.03 0.13 0.09 -0.22 0.23 0.00 0.00 176.35 176.62 1qum s LEU 106 N -0.64 0.31 0.03 1.79 2.96 -0.50 -4.14 118.68 118.49 1qum s LEU 106 Ca 0.04 -0.52 -0.27 0.00 -0.22 0.00 0.00 54.13 53.16 1qum s LEU 106 Cb -0.06 -0.21 -0.05 0.00 0.50 0.00 0.00 46.19 46.37 1qum s LEU 106 CO 0.00 -0.34 0.85 0.21 -1.32 0.00 0.00 176.35 175.76 1qum s ASN 107 N 2.15 7.28 0.14 3.68 3.04 0.80 -1.13 114.94 130.90 1qum s ASN 107 Ca 0.02 1.54 -0.06 0.00 0.04 0.00 0.00 52.86 54.41 1qum s ASN 107 Cb -0.16 -2.51 -0.02 0.00 -1.54 0.00 0.00 41.25 37.02 1qum s ASN 107 CO -0.08 -0.09 0.18 0.72 -3.04 0.00 0.00 177.10 174.78 1qum s PHE 108 N 0.35 0.56 0.02 0.43 -0.12 -0.40 -1.01 117.98 117.80 1qum s PHE 108 Ca 0.44 -0.94 -0.18 0.00 -0.05 0.00 0.00 56.93 56.20 1qum s PHE 108 Cb -0.21 -0.23 -0.06 0.00 -0.63 0.00 0.00 43.02 41.89 1qum s PHE 108 CO 0.25 -0.62 0.51 -1.01 -0.05 0.00 0.00 175.22 174.30 1qum s HIS 109 N -3.99 3.74 0.13 3.49 3.76 -1.26 -0.95 115.29 120.21 1qum s HIS 109 Ca 0.18 1.13 -0.31 0.00 -0.15 0.00 0.00 55.06 55.91 1qum s HIS 109 Cb 0.05 -2.45 -0.08 0.00 1.11 0.00 0.00 32.58 31.22 1qum s HIS 109 CO -0.01 0.54 1.57 -1.35 -0.85 0.00 0.00 174.74 174.64 1qum h PRO 110 N 4.96 -0.49 0.00 8.40 0.11 -1.83 -3.44 132.00 139.70 1qum h PRO 110 Ca -0.49 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1qum h PRO 110 Cb 1.21 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1qum h PRO 110 CO 0.65 -0.33 0.00 0.41 -0.21 0.00 0.00 178.00 178.52 1qum n GLY 111 N -1.43 2.78 2.96 -0.55 0.00 -1.26 -3.82 105.19 103.87 1qum n GLY 111 Ca -0.04 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1qum n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qum s SER 112 N 0.00 -0.12 0.10 1.61 0.01 -1.26 -1.42 113.70 112.62 1qum s SER 112 Ca 0.00 0.29 0.25 0.00 1.31 0.00 0.00 55.95 57.80 1qum s SER 112 Cb 0.00 0.23 0.57 0.00 0.21 0.00 0.00 66.02 67.03 1qum s SER 112 CO 0.00 -0.10 1.50 0.00 0.41 0.00 0.00 173.24 175.05 1qum n HIS 113 N 3.68 0.46 -2.60 2.43 1.44 -0.87 -4.34 115.22 115.42 1qum n HIS 113 Ca -0.20 0.13 -0.11 0.00 -2.01 0.00 0.00 57.72 55.53 1qum n HIS 113 Cb 0.55 -0.62 -0.00 0.00 0.12 0.00 0.00 29.99 30.04 1qum n HIS 113 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1qum n LEU 114 N -1.95 -0.90 -4.10 2.39 4.77 -1.26 -1.40 117.00 114.54 1qum n LEU 114 Ca 0.05 0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 55.87 1qum n LEU 114 Cb 0.41 -1.85 -0.01 0.00 -2.33 0.00 0.00 43.42 39.64 1qum n LEU 114 CO 0.34 -0.06 0.03 0.23 -1.33 0.00 0.00 177.39 176.60 1qum n MET 115 N -2.86 -4.07 -0.00 3.23 2.81 -1.26 -4.83 117.12 110.14 1qum n MET 115 Ca -0.09 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 1qum n MET 115 Cb 0.57 -5.26 -0.00 0.00 -0.71 0.00 0.00 33.22 27.82 1qum n MET 115 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1qum n GLN 116 N -4.49 3.24 -3.92 0.03 6.02 -0.49 -5.07 117.38 112.69 1qum n GLN 116 Ca 0.07 -0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.97 1qum n GLN 116 Cb 0.50 -0.78 -0.08 0.00 1.02 0.00 0.00 30.24 30.90 1qum n GLN 116 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1qum s ILE 117 N -1.58 0.15 0.80 5.09 -4.36 -1.24 -5.04 121.20 115.03 1qum s ILE 117 Ca -0.00 -1.35 -0.12 0.00 -0.26 0.00 0.00 60.65 58.92 1qum s ILE 117 Cb 0.00 -1.44 0.07 0.00 1.25 0.00 0.00 42.46 42.35 1qum s ILE 117 CO 0.03 -0.69 1.10 -0.94 0.24 0.00 0.00 174.94 174.68 1qum s SER 118 N -2.89 4.46 0.15 4.36 1.04 -1.26 -4.85 113.70 114.72 1qum s SER 118 Ca 0.07 1.28 -0.16 0.00 0.48 0.00 0.00 55.95 57.63 1qum s SER 118 Cb 0.05 -2.01 0.02 0.00 0.10 0.00 0.00 66.02 64.19 1qum s SER 118 CO -0.10 -1.99 1.79 -0.33 0.98 0.00 0.00 173.24 173.60 1qum h GLU 119 N -1.10 0.59 -0.40 4.02 5.08 -1.99 -1.67 114.58 119.10 1qum h GLU 119 Ca -0.47 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 57.91 1qum h GLU 119 Cb 1.27 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 1qum h GLU 119 CO 0.60 0.43 -0.02 0.93 -1.00 0.00 0.00 179.01 179.95 1qum h GLU 120 N 0.57 0.09 -0.35 2.33 3.07 -2.00 0.54 114.58 118.83 1qum h GLU 120 Ca 0.16 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1qum h GLU 120 Cb -0.01 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1qum h GLU 120 CO -0.03 0.06 0.16 -0.44 -1.40 0.00 0.00 179.01 177.36 1qum h ASP 121 N 0.09 0.47 -0.47 1.42 3.32 -1.88 -1.96 116.42 117.40 1qum h ASP 121 Ca 0.20 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.13 1qum h ASP 121 Cb 0.29 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1qum h ASP 121 CO -0.34 0.47 0.27 0.00 -1.72 0.00 0.00 179.24 177.92 1qum h LEU 123 N 0.55 0.75 -0.68 0.00 3.38 -0.71 -0.50 115.31 118.11 1qum h LEU 123 Ca 0.19 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1qum h LEU 123 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1qum h LEU 123 CO -0.09 0.68 -0.41 0.00 0.09 0.00 0.00 178.44 178.71 1qum h ALA 124 N 1.43 0.85 -0.66 1.53 0.00 -0.90 -1.16 119.26 120.35 1qum h ALA 124 Ca 0.19 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1qum h ALA 124 Cb 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1qum h ALA 124 CO -0.02 0.64 0.38 0.00 0.00 0.00 0.00 179.25 180.26 1qum h ARG 125 N 0.45 0.91 -0.37 0.00 3.08 -0.08 -1.26 114.38 117.11 1qum h ARG 125 Ca 0.04 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1qum h ARG 125 Cb 0.91 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1qum h ARG 125 CO 0.08 0.66 0.15 0.82 -1.07 0.00 0.00 179.97 180.61 1qum h ILE 126 N 0.90 1.19 -0.93 2.04 2.04 -0.87 0.29 117.51 122.17 1qum h ILE 126 Ca 0.23 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1qum h ILE 126 Cb 0.00 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1qum h ILE 126 CO -0.04 0.21 0.61 0.00 0.00 0.00 0.00 178.15 178.93 1qum h ALA 127 N 1.00 1.40 -0.44 1.87 0.00 -1.05 -0.70 119.26 121.35 1qum h ALA 127 Ca 0.12 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1qum h ALA 127 Cb 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1qum h ALA 127 CO -0.01 0.51 -0.26 0.93 0.00 0.00 0.00 179.25 180.41 1qum h GLU 128 N 1.17 0.96 -0.87 0.00 4.39 -0.82 -1.59 114.58 117.81 1qum h GLU 128 Ca 0.37 -0.44 0.05 0.00 0.34 0.00 0.00 59.36 59.68 1qum h GLU 128 Cb 0.01 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.58 1qum h GLU 128 CO -0.11 1.10 0.55 0.77 -1.16 0.00 0.00 179.01 180.17 1qum h SER 129 N 0.79 0.90 -0.43 1.42 0.02 0.11 -0.29 113.55 116.06 1qum h SER 129 Ca 0.09 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1qum h SER 129 Cb 0.85 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 1qum h SER 129 CO 0.07 0.59 0.00 0.40 -1.14 0.00 0.00 176.83 176.76 1qum h ILE 130 N 1.04 1.26 -0.50 3.27 2.04 -1.00 -1.92 117.51 121.70 1qum h ILE 130 Ca 0.37 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.24 1qum h ILE 130 Cb 0.09 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1qum h ILE 130 CO -0.15 0.35 0.25 0.78 0.00 0.00 0.00 178.15 179.38 1qum h ASN 131 N 0.60 0.36 -0.34 1.72 2.35 -0.99 -1.07 115.58 118.21 1qum h ASN 131 Ca 0.12 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.96 1qum h ASN 131 Cb 0.48 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.76 1qum h ASN 131 CO 0.02 0.25 0.02 0.40 -1.65 0.00 0.00 177.43 176.47 1qum h ILE 132 N 0.49 0.77 -0.50 2.81 2.04 -0.83 -1.59 117.51 120.70 1qum h ILE 132 Ca 0.22 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 1qum h ILE 132 Cb 0.12 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1qum h ILE 132 CO -0.15 0.02 0.26 0.00 0.00 0.00 0.00 178.15 178.28 1qum h ALA 133 N 1.29 0.64 0.00 1.87 0.00 -1.04 -2.35 119.26 119.67 1qum h ALA 133 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1qum h ALA 133 Cb 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qum h ALA 133 CO -0.26 0.17 -0.03 -0.07 0.00 0.00 0.00 179.25 179.07 1qum h LEU 134 N 0.66 0.00 -0.72 0.00 3.38 -0.90 -2.05 115.31 115.68 1qum h LEU 134 Ca 0.17 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 1qum h LEU 134 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1qum h LEU 134 CO -0.03 0.03 -0.59 0.44 0.09 0.00 0.00 178.44 178.38 1qum h ASP 135 N 0.00 0.00 -0.22 -0.43 3.32 -0.75 -3.30 116.42 115.04 1qum h ASP 135 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qum h ASP 135 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1qum h ASP 135 CO 0.00 0.59 0.00 0.29 -1.72 0.00 0.00 179.24 178.40 1qum n LYS 136 N -3.69 1.89 -4.16 3.56 5.02 -0.79 -4.99 118.16 115.00 1qum n LYS 136 Ca -0.01 -1.80 -0.12 0.00 -2.02 0.00 0.00 58.31 54.36 1qum n LYS 136 Cb 0.62 -1.34 -0.09 0.00 -0.02 0.00 0.00 35.03 34.21 1qum n LYS 136 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qum s THR 137 N -1.18 0.00 0.02 -0.18 -4.23 -1.13 -5.01 115.64 103.93 1qum s THR 137 Ca 0.25 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 1qum s THR 137 Cb 0.15 -2.44 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 1qum s THR 137 CO 0.21 0.00 -0.04 -1.10 -0.54 0.00 0.00 174.62 173.14 1qum s GLN 138 N -4.07 0.34 0.00 3.99 -0.21 -1.26 -4.81 119.66 113.64 1qum s GLN 138 Ca 0.35 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1qum s GLN 138 Cb 0.05 -0.13 0.00 0.00 1.00 0.00 0.00 33.01 33.93 1qum s GLN 138 CO 0.12 0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.72 1qum n GLY 139 N 2.09 1.25 3.37 3.09 0.00 -1.26 -4.88 105.19 108.86 1qum n GLY 139 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1qum n GLY 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qum s VAL 140 N -3.83 3.44 0.02 1.61 1.01 -1.26 -4.53 120.40 116.85 1qum s VAL 140 Ca 0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 1qum s VAL 140 Cb 0.00 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1qum s VAL 140 CO 0.00 0.46 0.66 -0.89 0.00 0.00 0.00 175.10 175.33 1qum s THR 141 N 0.93 4.83 -0.45 3.92 2.01 0.18 -4.94 115.64 122.12 1qum s THR 141 Ca -0.01 1.39 -0.25 0.00 0.31 0.00 0.00 61.69 63.13 1qum s THR 141 Cb -0.15 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.39 1qum s THR 141 CO 0.01 0.40 0.89 0.00 -0.69 0.00 0.00 174.62 175.23 1qum s ALA 142 N -0.18 3.26 -0.43 7.40 0.00 0.61 -1.41 121.76 131.01 1qum s ALA 142 Ca 0.34 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 1qum s ALA 142 Cb -0.19 -3.59 0.06 0.00 0.00 0.00 0.00 23.12 19.40 1qum s ALA 142 CO 0.19 -1.99 0.31 0.08 0.00 0.00 0.00 175.76 174.36 1qum s VAL 143 N 3.62 4.87 -0.17 0.00 1.01 -0.29 -0.37 120.40 129.07 1qum s VAL 143 Ca 0.35 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 1qum s VAL 143 Cb -0.11 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 1qum s VAL 143 CO 0.25 -0.46 1.02 -0.63 0.00 0.00 0.00 175.10 175.27 1qum s ILE 144 N 1.58 4.73 0.12 2.22 1.01 0.65 -1.28 121.20 130.24 1qum s ILE 144 Ca 0.04 2.02 -0.26 0.00 0.00 0.00 0.00 60.65 62.44 1qum s ILE 144 Cb -0.22 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 37.87 1qum s ILE 144 CO 0.06 -0.09 0.79 -0.70 0.00 0.00 0.00 174.94 175.00 1qum s GLU 145 N 2.64 4.57 0.75 2.79 2.12 -0.12 -0.61 118.70 130.84 1qum s GLU 145 Ca 0.46 1.16 -0.11 0.00 0.36 0.00 0.00 54.97 56.84 1qum s GLU 145 Cb -0.16 -3.30 0.04 0.00 0.26 0.00 0.00 34.13 30.96 1qum s GLU 145 CO 0.11 0.45 1.09 0.54 -0.54 0.00 0.00 175.26 176.91 1qum s ASN 146 N -0.70 4.72 0.31 -1.70 4.22 -0.95 -4.36 114.94 116.48 1qum s ASN 146 Ca 0.38 1.79 0.07 0.00 -2.14 0.00 0.00 52.86 52.96 1qum s ASN 146 Cb -0.22 -2.52 -0.06 0.00 1.28 0.00 0.00 41.25 39.73 1qum s ASN 146 CO 0.26 -1.89 -0.04 0.42 -2.04 0.00 0.00 177.10 173.80 1qum s THR 147 N -2.90 1.74 -0.45 0.54 -4.23 -0.22 -4.66 115.64 105.46 1qum s THR 147 Ca 0.61 -2.11 0.26 0.00 -1.18 0.00 0.00 61.69 59.27 1qum s THR 147 Cb -0.17 -2.59 0.32 0.00 1.34 0.00 0.00 72.50 71.40 1qum s THR 147 CO 0.55 -0.21 1.75 0.00 -0.54 0.00 0.00 174.62 176.16 1qum h ALA 148 N 2.16 1.00 -0.12 3.99 0.00 -1.88 -3.35 119.26 121.06 1qum h ALA 148 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1qum h ALA 148 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1qum h ALA 148 CO 0.69 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1qum n GLY 149 N 0.81 0.80 3.79 0.00 0.00 -1.26 -4.01 105.19 105.32 1qum n GLY 149 Ca 0.04 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 1qum n GLY 149 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qum s GLN 150 N -3.35 3.64 2.76 1.61 -0.21 -1.24 -4.76 119.66 118.12 1qum s GLN 150 Ca 0.00 1.44 0.00 0.00 0.02 0.00 0.00 55.36 56.82 1qum s GLN 150 Cb 0.00 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 31.95 1qum s GLN 150 CO 0.00 -0.58 0.00 0.41 -2.12 0.00 0.00 175.29 173.00 1qum n GLY 151 N -0.14 2.92 1.70 3.09 0.00 -1.26 -1.19 105.19 110.30 1qum n GLY 151 Ca 0.10 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.21 1qum n GLY 151 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qum n SER 152 N 2.61 5.33 -4.72 1.61 3.41 -1.26 -4.97 113.62 115.63 1qum n SER 152 Ca 0.00 -2.87 -0.42 0.00 -0.26 0.00 0.00 58.87 55.32 1qum n SER 152 Cb 0.00 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.27 1qum n SER 152 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1qum s ASN 153 N -0.98 7.06 0.71 4.04 3.84 -0.34 -2.04 114.94 127.23 1qum s ASN 153 Ca 0.52 2.07 0.02 0.00 0.21 0.00 0.00 52.86 55.68 1qum s ASN 153 Cb 0.39 -2.58 0.13 0.00 -0.55 0.00 0.00 41.25 38.64 1qum s ASN 153 CO 0.16 -0.48 0.98 -0.76 -2.79 0.00 0.00 177.10 174.21 1qum s LEU 154 N 0.92 2.96 0.00 3.21 1.43 -0.50 -4.47 118.68 122.22 1qum s LEU 154 Ca 0.59 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1qum s LEU 154 Cb -0.31 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1qum s LEU 154 CO 0.30 -1.85 0.00 0.61 0.23 0.00 0.00 176.35 175.64 1qum n GLY 155 N -2.76 0.78 0.15 -3.19 0.00 -1.26 -4.60 105.19 94.31 1qum n GLY 155 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1qum n GLY 155 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1qum h PHE 156 N 0.00 0.00 -2.89 1.61 -5.15 -1.83 -0.57 116.94 108.11 1qum h PHE 156 Ca 0.00 0.00 -0.67 0.00 -0.20 0.00 0.00 57.97 57.10 1qum h PHE 156 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 36.07 1qum h PHE 156 CO 0.00 0.00 -0.52 0.15 -2.00 0.00 0.00 178.31 175.94 1qum s LYS 157 N -3.31 3.38 0.56 6.09 1.02 -1.26 -4.80 119.74 121.42 1qum s LYS 157 Ca 0.02 -0.22 0.24 0.00 0.02 0.00 0.00 55.97 56.03 1qum s LYS 157 Cb 0.08 -3.09 1.50 0.00 -0.52 0.00 0.00 37.83 35.80 1qum s LYS 157 CO 0.75 0.71 2.11 0.74 -0.92 0.00 0.00 175.35 178.74 1qum h PHE 158 N 5.20 0.00 -0.37 3.18 0.05 -1.98 -1.27 116.94 121.75 1qum h PHE 158 Ca -0.52 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.25 1qum h PHE 158 Cb 1.21 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 39.14 1qum h PHE 158 CO 0.71 0.00 0.15 0.93 -0.18 0.00 0.00 178.31 179.91 1qum h GLU 159 N 0.00 0.52 -0.34 1.51 3.07 -1.94 -0.63 114.58 116.77 1qum h GLU 159 Ca 0.09 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1qum h GLU 159 Cb 0.39 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1qum h GLU 159 CO -0.00 0.43 0.22 0.45 -1.40 0.00 0.00 179.01 178.71 1qum h HIS 160 N 0.52 0.42 -0.75 4.33 3.86 -1.61 0.12 115.15 122.04 1qum h HIS 160 Ca 0.13 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1qum h HIS 160 Cb 0.10 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 1qum h HIS 160 CO 0.00 0.27 0.38 -0.07 0.86 0.00 0.00 177.93 179.37 1qum h LEU 161 N 0.46 0.97 -0.40 2.43 3.38 -1.27 -0.86 115.31 120.02 1qum h LEU 161 Ca 0.12 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1qum h LEU 161 Cb -0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1qum h LEU 161 CO -0.03 0.82 0.15 0.00 0.09 0.00 0.00 178.44 179.47 1qum h ALA 162 N 1.19 0.53 -0.87 1.53 0.00 -0.83 -1.69 119.26 119.13 1qum h ALA 162 Ca 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1qum h ALA 162 Cb 0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1qum h ALA 162 CO -0.04 0.15 0.47 0.00 0.00 0.00 0.00 179.25 179.83 1qum h ALA 163 N 0.99 1.20 -0.08 0.00 0.00 -0.80 0.14 119.26 120.71 1qum h ALA 163 Ca 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qum h ALA 163 Cb 0.22 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1qum h ALA 163 CO -0.01 0.64 0.04 0.82 0.00 0.00 0.00 179.25 180.74 1qum h ILE 164 N 1.21 1.12 -0.38 0.00 2.04 -0.99 -2.89 117.51 117.62 1qum h ILE 164 Ca 0.30 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1qum h ILE 164 Cb 0.03 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1qum h ILE 164 CO -0.05 0.10 0.23 0.40 0.00 0.00 0.00 178.15 178.83 1qum h ILE 165 N 0.00 1.11 0.00 -0.67 2.04 -0.81 0.87 117.51 120.05 1qum h ILE 165 Ca 0.03 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1qum h ILE 165 Cb 0.13 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1qum h ILE 165 CO -0.00 0.12 -0.06 0.44 0.00 0.00 0.00 178.15 178.64 1qum h ASP 166 N 0.53 0.00 0.38 1.72 3.32 -0.62 -1.68 116.42 120.06 1qum h ASP 166 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1qum h ASP 166 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1qum h ASP 166 CO -0.03 0.06 -0.17 0.61 -1.72 0.00 0.00 179.24 178.00 1qum n GLY 167 N -1.25 -0.91 3.73 2.75 0.00 0.27 -4.85 105.19 104.92 1qum n GLY 167 Ca -0.03 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 1qum n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qum s VAL 168 N -2.55 5.11 0.04 1.61 1.01 -0.63 -4.70 120.40 120.29 1qum s VAL 168 Ca 0.26 1.14 -0.30 0.00 0.00 0.00 0.00 61.98 63.08 1qum s VAL 168 Cb 0.20 -3.90 -0.17 0.00 0.00 0.00 0.00 36.38 32.50 1qum s VAL 168 CO 0.50 0.32 1.36 -0.33 0.00 0.00 0.00 175.10 176.95 1qum h GLU 169 N 6.57 -0.82 -4.10 2.72 5.08 -1.89 -3.38 114.58 118.75 1qum h GLU 169 Ca -0.42 0.06 -0.77 0.00 -1.00 0.00 0.00 59.36 57.23 1qum h GLU 169 Cb 1.19 0.19 -0.24 0.00 0.50 0.00 0.00 28.75 30.38 1qum h GLU 169 CO 0.75 -0.51 0.28 0.34 -1.00 0.00 0.00 179.01 178.87 1qum s ASP 170 N -4.53 6.74 0.04 1.42 2.15 -1.26 -4.87 116.67 116.36 1qum s ASP 170 Ca -0.16 -2.56 0.19 0.00 0.43 0.00 0.00 52.55 50.45 1qum s ASP 170 Cb 0.02 -2.25 0.78 0.00 -0.30 0.00 0.00 42.92 41.17 1qum s ASP 170 CO 0.54 -0.68 1.59 0.29 -0.17 0.00 0.00 175.17 176.74 1qum n LYS 171 N 4.54 0.03 0.23 4.34 5.02 -1.26 -1.97 118.16 129.09 1qum n LYS 171 Ca 0.16 0.22 0.16 0.00 -2.02 0.00 0.00 58.31 56.84 1qum n LYS 171 Cb 0.47 -1.55 0.65 0.00 -0.02 0.00 0.00 35.03 34.58 1qum n LYS 171 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1qum h SER 172 N 0.00 0.00 -0.14 4.39 4.64 -1.96 -3.22 113.55 117.26 1qum h SER 172 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1qum h SER 172 Cb 0.33 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.23 1qum h SER 172 CO 0.00 0.00 -0.73 0.54 -0.87 0.00 0.00 176.83 175.77 1qum n ARG 173 N -2.76 1.49 -4.30 4.77 1.74 -0.83 -4.97 116.66 111.79 1qum n ARG 173 Ca 0.01 -3.12 -0.21 0.00 -0.77 0.00 0.00 57.85 53.76 1qum n ARG 173 Cb 0.25 -1.30 -0.13 0.00 -1.02 0.00 0.00 32.46 30.26 1qum n ARG 173 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1qum s VAL 174 N -2.66 1.28 0.05 1.55 0.11 -1.22 -0.28 120.40 119.24 1qum s VAL 174 Ca 0.38 -1.24 -0.02 0.00 -2.93 0.00 0.00 61.98 58.18 1qum s VAL 174 Cb 0.38 -1.18 0.01 0.00 -1.53 0.00 0.00 36.38 34.05 1qum s VAL 174 CO -0.08 -0.07 0.09 0.61 -3.33 0.00 0.00 175.10 172.33 1qum n GLY 175 N 1.51 1.88 3.12 6.54 0.00 0.51 -4.88 105.19 113.87 1qum n GLY 175 Ca -0.19 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1qum n GLY 175 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qum s VAL 176 N -2.89 0.71 -0.15 1.61 -7.23 0.64 -0.26 120.40 112.83 1qum s VAL 176 Ca 0.02 -1.42 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1qum s VAL 176 Cb -0.01 -1.06 0.01 0.00 0.56 0.00 0.00 36.38 35.89 1qum s VAL 176 CO 0.01 -0.52 -0.20 0.00 -0.31 0.00 0.00 175.10 174.08 1qum s ILE 178 N 1.03 5.31 -0.29 0.00 -1.09 -0.92 -2.23 121.20 123.02 1qum s ILE 178 Ca -0.02 0.35 -0.15 0.00 -2.23 0.00 0.00 60.65 58.60 1qum s ILE 178 Cb -0.14 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1qum s ILE 178 CO -0.06 0.32 0.36 -0.62 -1.23 0.00 0.00 174.94 173.71 1qum s ASP 179 N 1.00 6.23 0.34 3.58 -1.08 -1.26 -0.93 116.67 124.54 1qum s ASP 179 Ca 0.11 0.17 0.07 0.00 -0.52 0.00 0.00 52.55 52.38 1qum s ASP 179 Cb -0.14 -2.20 0.61 0.00 -1.46 0.00 0.00 42.92 39.72 1qum s ASP 179 CO 0.05 -0.21 1.81 0.71 0.52 0.00 0.00 175.17 178.05 1qum h THR 180 N 5.42 1.24 -0.21 1.71 1.35 -1.58 -0.63 112.91 120.21 1qum h THR 180 Ca -0.31 -1.09 -0.03 0.00 -0.55 0.00 0.00 66.41 64.43 1qum h THR 180 Cb 1.16 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1qum h THR 180 CO 0.65 0.34 0.03 0.00 -0.25 0.00 0.00 175.52 176.28 1qum h HIS 182 N 0.13 0.88 -0.71 0.00 3.86 -1.84 0.15 115.15 117.63 1qum h HIS 182 Ca 0.06 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 1qum h HIS 182 Cb 0.34 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.47 1qum h HIS 182 CO 0.02 0.63 0.42 0.00 0.86 0.00 0.00 177.93 179.86 1qum h ALA 183 N 1.17 0.94 -0.35 2.45 0.00 -1.04 -0.81 119.26 121.62 1qum h ALA 183 Ca 0.22 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1qum h ALA 183 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1qum h ALA 183 CO -0.04 0.14 -0.00 0.35 0.00 0.00 0.00 179.25 179.70 1qum h PHE 184 N 0.79 0.69 -0.30 0.00 3.57 -0.95 0.12 116.94 120.85 1qum h PHE 184 Ca 0.30 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1qum h PHE 184 Cb 0.12 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1qum h PHE 184 CO -0.06 0.73 0.03 0.00 -2.23 0.00 0.00 178.31 176.79 1qum h ALA 185 N 0.86 1.49 0.00 2.41 0.00 -0.41 -1.89 119.26 121.72 1qum h ALA 185 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qum h ALA 185 Cb 0.46 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1qum h ALA 185 CO 0.02 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1qum n ALA 186 N -2.48 2.50 0.00 0.00 0.00 -0.33 -0.34 120.51 119.86 1qum n ALA 186 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1qum n ALA 186 Cb 0.20 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1qum n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qum n GLY 187 N 1.20 1.07 3.46 0.00 0.00 -0.78 -4.81 105.19 105.33 1qum n GLY 187 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1qum n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qum s TYR 188 N -2.00 3.11 0.36 1.61 1.51 0.38 -4.88 117.35 117.43 1qum s TYR 188 Ca 0.00 -0.50 -0.26 0.00 -1.01 0.00 0.00 57.07 55.30 1qum s TYR 188 Cb 0.00 -3.30 -0.09 0.00 -0.11 0.00 0.00 41.96 38.45 1qum s TYR 188 CO 0.00 -0.90 1.05 0.34 -1.11 0.00 0.00 175.55 174.93 1qum s ASP 189 N 2.38 6.97 -0.02 2.29 -1.08 -1.26 -3.56 116.67 122.39 1qum s ASP 189 Ca 0.14 2.08 0.03 0.00 -0.52 0.00 0.00 52.55 54.27 1qum s ASP 189 Cb -0.19 -2.60 0.04 0.00 -1.46 0.00 0.00 42.92 38.72 1qum s ASP 189 CO 0.12 -0.34 0.83 0.18 0.52 0.00 0.00 175.17 176.48 1qum n LEU 190 N 0.36 0.68 -0.02 -1.34 4.77 -1.26 -4.07 117.00 116.12 1qum n LEU 190 Ca 0.03 -1.08 0.14 0.00 -0.03 0.00 0.00 56.01 55.07 1qum n LEU 190 Cb 0.48 -0.06 0.64 0.00 -2.33 0.00 0.00 43.42 42.16 1qum n LEU 190 CO 0.47 0.26 0.92 0.54 -1.33 0.00 0.00 177.39 178.26 1qum n ARG 191 N -0.29 0.31 -4.03 3.23 1.74 -1.26 -4.11 116.66 112.25 1qum n ARG 191 Ca 0.02 -0.05 -0.08 0.00 -0.77 0.00 0.00 57.85 56.98 1qum n ARG 191 Cb 0.53 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.38 1qum n ARG 191 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1qum s THR 192 N -2.72 0.19 0.29 0.55 -4.23 -1.26 -4.83 115.64 103.63 1qum s THR 192 Ca 0.23 -1.60 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1qum s THR 192 Cb 0.20 -1.37 0.29 0.00 1.34 0.00 0.00 72.50 72.96 1qum s THR 192 CO 0.51 -0.88 1.83 -0.65 -0.54 0.00 0.00 174.62 174.89 1qum h PRO 193 N 3.21 0.93 -0.50 3.99 0.11 -1.89 -0.47 132.00 137.39 1qum h PRO 193 Ca -0.34 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 1qum h PRO 193 Cb 1.16 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1qum h PRO 193 CO 0.62 0.62 0.10 0.00 -0.21 0.00 0.00 178.00 179.13 1qum h ALA 194 N 1.55 1.25 -0.10 -0.75 0.00 -1.97 0.77 119.26 120.02 1qum h ALA 194 Ca 0.50 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1qum h ALA 194 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1qum h ALA 194 CO -0.27 0.52 -0.57 0.93 0.00 0.00 0.00 179.25 179.86 1qum h GLU 195 N 0.74 0.31 -0.18 0.00 4.39 -1.50 -1.90 114.58 116.43 1qum h GLU 195 Ca 0.16 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1qum h GLU 195 Cb 0.30 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1qum h GLU 195 CO 0.00 0.79 0.09 0.00 -1.16 0.00 0.00 179.01 178.73 1qum h GLU 197 N 0.16 0.09 -0.20 0.00 5.08 -0.74 -0.80 114.58 118.16 1qum h GLU 197 Ca 0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1qum h GLU 197 Cb 0.13 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1qum h GLU 197 CO -0.01 0.06 0.10 -0.22 -1.00 0.00 0.00 179.01 177.94 1qum h LYS 198 N 0.09 0.29 -0.74 2.33 3.64 -0.97 -0.43 116.57 120.77 1qum h LYS 198 Ca 0.29 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1qum h LYS 198 Cb 0.46 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1qum h LYS 198 CO -0.51 0.30 0.29 1.15 -2.27 0.00 0.00 179.45 178.41 1qum h THR 199 N 0.21 1.25 0.00 1.00 2.02 -0.54 -1.56 112.91 115.29 1qum h THR 199 Ca 0.07 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1qum h THR 199 Cb 0.10 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1qum h THR 199 CO -0.01 0.32 -0.33 -0.26 0.37 0.00 0.00 175.52 175.62 1qum h PHE 200 N 1.07 0.00 -0.37 3.16 0.04 -1.05 -1.55 116.94 118.23 1qum h PHE 200 Ca 0.25 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.86 1qum h PHE 200 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1qum h PHE 200 CO 0.02 0.00 -0.37 0.00 -0.60 0.00 0.00 178.31 177.36 1qum h ALA 201 N 2.07 0.54 -0.11 2.45 0.00 -0.75 -0.36 119.26 123.11 1qum h ALA 201 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1qum h ALA 201 Cb 0.96 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1qum h ALA 201 CO 0.00 0.64 0.00 0.22 0.00 0.00 0.00 179.25 180.11 1qum h ASP 202 N 0.71 -0.03 -0.52 0.00 1.82 -1.00 -1.15 116.42 116.26 1qum h ASP 202 Ca 0.06 0.02 0.08 0.00 -0.39 0.00 0.00 57.03 56.80 1qum h ASP 202 Cb 0.96 0.04 -0.07 0.00 0.68 0.00 0.00 39.33 40.94 1qum h ASP 202 CO 0.09 0.00 0.14 0.15 -1.61 0.00 0.00 179.24 178.01 1qum h PHE 203 N 0.04 0.23 -0.89 0.28 3.57 -1.23 -1.13 116.94 117.80 1qum h PHE 203 Ca 0.05 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1qum h PHE 203 Cb 0.06 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 1qum h PHE 203 CO -0.13 0.03 0.59 0.00 -2.23 0.00 0.00 178.31 176.57 1qum h ALA 204 N 1.39 1.43 -0.01 2.41 0.00 -0.49 0.17 119.26 124.15 1qum h ALA 204 Ca 0.26 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 1qum h ALA 204 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qum h ALA 204 CO -0.31 0.49 -0.79 0.00 0.00 0.00 0.00 179.25 178.64 1qum h ARG 205 N 1.13 0.14 0.02 0.00 3.08 -0.71 -2.96 114.38 115.08 1qum h ARG 205 Ca 0.35 -0.14 -0.39 0.00 0.07 0.00 0.00 59.98 59.87 1qum h ARG 205 Cb -0.01 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 1qum h ARG 205 CO -0.10 0.86 -2.39 0.25 -1.07 0.00 0.00 179.97 177.52 1qum n THR 206 N -3.69 1.54 -0.04 2.04 -2.24 -0.48 -4.82 114.28 106.59 1qum n THR 206 Ca -0.02 -0.55 -0.10 0.00 -2.27 0.00 0.00 64.05 61.11 1qum n THR 206 Cb 0.75 -1.54 -0.03 0.00 -2.10 0.00 0.00 70.33 67.41 1qum n THR 206 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1qum n VAL 207 N -3.45 0.96 0.00 2.28 0.31 0.46 -4.67 118.33 114.21 1qum n VAL 207 Ca -0.45 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1qum n VAL 207 Cb 0.98 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 1qum n VAL 207 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qum n GLY 208 N 2.36 1.01 0.11 2.92 0.00 -0.29 -4.76 105.19 106.55 1qum n GLY 208 Ca -0.17 -1.48 0.10 0.00 0.00 0.00 0.00 46.02 44.47 1qum n GLY 208 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qum n PHE 209 N 1.38 0.65 0.30 1.61 3.01 -1.26 -2.09 117.46 121.05 1qum n PHE 209 Ca 0.00 0.28 0.19 0.00 1.01 0.00 0.00 57.45 58.92 1qum n PHE 209 Cb 0.00 -0.94 0.91 0.00 -0.01 0.00 0.00 39.48 39.43 1qum n PHE 209 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1qum h LYS 210 N 0.00 0.00 -0.09 -1.08 2.10 -1.97 -0.13 116.57 115.40 1qum h LYS 210 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qum h LYS 210 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1qum h LYS 210 CO 0.00 0.02 0.00 0.66 -2.00 0.00 0.00 179.45 178.13 1qum n TYR 211 N -3.19 0.10 -2.65 0.07 4.02 -0.89 -4.89 117.16 109.73 1qum n TYR 211 Ca -0.01 -0.05 -0.43 0.00 -0.01 0.00 0.00 57.90 57.40 1qum n TYR 211 Cb 0.20 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.50 1qum n TYR 211 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1qum s LEU 212 N -1.86 3.96 0.00 7.72 2.96 -0.07 -0.26 118.68 131.14 1qum s LEU 212 Ca 0.35 1.09 0.02 0.00 -0.22 0.00 0.00 54.13 55.37 1qum s LEU 212 Cb 0.20 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.37 1qum s LEU 212 CO 0.31 -0.85 0.59 0.54 -1.32 0.00 0.00 176.35 175.62 1qum n ARG 213 N 6.78 -0.54 -3.60 1.98 5.12 -0.04 -4.90 116.66 121.46 1qum n ARG 213 Ca 0.12 -0.67 0.01 0.00 -1.93 0.00 0.00 57.85 55.38 1qum n ARG 213 Cb 0.47 -1.04 -0.01 0.00 -1.16 0.00 0.00 32.46 30.72 1qum n ARG 213 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1qum s GLY 214 N -0.22 -0.40 0.03 -0.13 0.00 -1.16 -4.17 107.32 101.28 1qum s GLY 214 Ca 0.03 1.04 0.02 0.00 0.00 0.00 0.00 44.72 45.80 1qum s GLY 214 CO 0.03 0.25 -0.06 1.06 0.00 0.00 0.00 173.10 174.38 1qum s MET 215 N -2.26 0.44 -0.23 2.90 -1.94 -0.47 -2.17 119.30 115.57 1qum s MET 215 Ca 0.13 -0.59 -0.05 0.00 -1.71 0.00 0.00 55.69 53.47 1qum s MET 215 Cb 0.04 -0.23 -0.02 0.00 2.01 0.00 0.00 34.83 36.64 1qum s MET 215 CO -0.05 0.04 0.01 -1.01 -0.01 0.00 0.00 175.02 174.00 1qum s HIS 216 N -1.09 3.01 -0.68 -0.03 3.76 -0.11 -0.71 115.29 119.45 1qum s HIS 216 Ca -0.08 -0.70 -0.16 0.00 -0.15 0.00 0.00 55.06 53.96 1qum s HIS 216 Cb -0.08 -2.16 0.15 0.00 1.11 0.00 0.00 32.58 31.60 1qum s HIS 216 CO 0.00 -0.46 0.69 -0.51 -0.85 0.00 0.00 174.74 173.61 1qum s LEU 217 N 1.52 6.09 -0.06 0.89 1.43 0.71 -1.75 118.68 127.52 1qum s LEU 217 Ca 0.06 -2.02 0.02 0.00 -1.03 0.00 0.00 54.13 51.16 1qum s LEU 217 Cb -0.15 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.84 1qum s LEU 217 CO -0.00 -0.84 -0.11 0.20 0.23 0.00 0.00 176.35 175.82 1qum s ASN 218 N 3.14 1.61 1.01 2.29 0.02 -1.26 -3.69 114.94 118.07 1qum s ASN 218 Ca 0.12 -0.27 -0.16 0.00 -1.02 0.00 0.00 52.86 51.54 1qum s ASN 218 Cb -0.20 -0.70 0.20 0.00 0.02 0.00 0.00 41.25 40.57 1qum s ASN 218 CO -0.01 0.03 1.21 -0.62 0.02 0.00 0.00 177.10 177.73 1qum s ASP 219 N 0.61 2.63 -0.13 -1.22 -1.08 -0.71 -2.86 116.67 113.91 1qum s ASP 219 Ca -0.12 0.57 0.02 0.00 -0.52 0.00 0.00 52.55 52.50 1qum s ASP 219 Cb -0.15 -0.83 0.01 0.00 -1.46 0.00 0.00 42.92 40.50 1qum s ASP 219 CO 0.03 -3.06 -0.21 0.00 0.52 0.00 0.00 175.17 172.45 1qum s ALA 220 N -3.46 2.12 0.06 3.66 0.00 -1.26 -1.29 121.76 121.58 1qum s ALA 220 Ca 0.70 -1.01 0.09 0.00 0.00 0.00 0.00 51.96 51.75 1qum s ALA 220 Cb -0.09 -0.95 -0.11 0.00 0.00 0.00 0.00 23.12 21.97 1qum s ALA 220 CO 0.54 -0.03 1.34 -0.22 0.00 0.00 0.00 175.76 177.39 1qum h LYS 221 N 7.32 0.00 -7.48 0.00 3.64 -0.80 0.25 116.57 119.50 1qum h LYS 221 Ca -0.32 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.59 1qum h LYS 221 Cb 1.19 0.00 0.12 0.00 -0.41 0.00 0.00 32.23 33.13 1qum h LYS 221 CO 0.54 0.85 0.33 -1.54 -2.27 0.00 0.00 179.45 177.36 1qum s SER 222 N -6.65 4.04 0.38 4.20 1.04 -1.20 -4.82 113.70 110.69 1qum s SER 222 Ca 0.02 1.06 0.07 0.00 0.48 0.00 0.00 55.95 57.58 1qum s SER 222 Cb 0.09 -1.69 -0.01 0.00 0.10 0.00 0.00 66.02 64.52 1qum s SER 222 CO 0.80 -2.23 0.47 0.42 0.98 0.00 0.00 173.24 173.67 1qum s THR 223 N -3.28 3.34 -0.08 2.02 -4.23 -1.26 -4.59 115.64 107.56 1qum s THR 223 Ca 0.62 -1.11 -0.36 0.00 -1.18 0.00 0.00 61.69 59.66 1qum s THR 223 Cb -0.14 -3.15 -0.13 0.00 1.34 0.00 0.00 72.50 70.42 1qum s THR 223 CO 0.53 -0.07 1.75 0.33 -0.54 0.00 0.00 174.62 176.62 1qum n PHE 224 N -1.66 2.19 -1.06 3.99 -0.00 -1.26 -1.79 117.46 117.86 1qum n PHE 224 Ca 0.03 0.22 -0.02 0.00 -0.00 0.00 0.00 57.45 57.68 1qum n PHE 224 Cb 0.59 -2.57 -0.01 0.00 -0.00 0.00 0.00 39.48 37.50 1qum n PHE 224 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1qum n GLY 225 N 4.04 0.40 0.27 7.13 0.00 -0.79 -4.86 105.19 111.38 1qum n GLY 225 Ca 0.22 -0.08 0.16 0.00 0.00 0.00 0.00 46.02 46.32 1qum n GLY 225 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qum h SER 226 N 0.00 0.00 -3.43 1.61 4.64 -0.77 -3.44 113.55 112.16 1qum h SER 226 Ca -0.04 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.89 1qum h SER 226 Cb 0.63 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1qum h SER 226 CO 0.07 0.06 -0.53 0.54 -0.87 0.00 0.00 176.83 176.10 1qum n ARG 227 N -3.23 -3.00 -5.10 4.77 1.74 0.54 -4.99 116.66 107.40 1qum n ARG 227 Ca -0.00 0.89 -0.32 0.00 -0.77 0.00 0.00 57.85 57.65 1qum n ARG 227 Cb 0.29 -5.54 -0.16 0.00 -1.02 0.00 0.00 32.46 26.04 1qum n ARG 227 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qum s VAL 228 N -3.05 2.41 -0.77 1.55 1.01 -1.26 -3.62 120.40 116.66 1qum s VAL 228 Ca 0.14 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1qum s VAL 228 Cb -0.06 -1.93 0.17 0.00 0.00 0.00 0.00 36.38 34.56 1qum s VAL 228 CO 0.17 0.56 0.81 -0.62 0.00 0.00 0.00 175.10 176.02 1qum s ASP 229 N 0.01 6.55 -0.10 3.32 -1.08 -1.26 -4.70 116.67 119.41 1qum s ASP 229 Ca -0.07 -2.19 -0.03 0.00 -0.52 0.00 0.00 52.55 49.73 1qum s ASP 229 Cb -0.15 -2.27 0.04 0.00 -1.46 0.00 0.00 42.92 39.08 1qum s ASP 229 CO 0.05 -0.83 0.08 -0.13 0.52 0.00 0.00 175.17 174.87 1qum s ARG 230 N 1.42 -0.01 0.73 4.34 1.81 -1.26 -5.03 118.95 120.95 1qum s ARG 230 Ca 0.18 0.21 -0.11 0.00 -1.72 0.00 0.00 55.73 54.29 1qum s ARG 230 Cb -0.14 -1.03 0.03 0.00 -0.45 0.00 0.00 34.95 33.36 1qum s ARG 230 CO -0.05 -0.47 1.10 -1.01 -0.68 0.00 0.00 175.30 174.20 1qum s HIS 231 N 2.17 3.22 0.11 -0.53 3.76 -1.26 -0.35 115.29 122.40 1qum s HIS 231 Ca 0.04 1.04 -0.09 0.00 -0.15 0.00 0.00 55.06 55.90 1qum s HIS 231 Cb -0.14 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.44 1qum s HIS 231 CO -0.06 -1.32 0.23 -1.58 -0.85 0.00 0.00 174.74 171.16 1qum s HIS 232 N -3.34 0.17 0.66 1.40 2.46 -0.41 -3.86 115.29 112.37 1qum s HIS 232 Ca 0.59 -0.58 -0.17 0.00 0.47 0.00 0.00 55.06 55.37 1qum s HIS 232 Cb -0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 32.58 32.30 1qum s HIS 232 CO 0.52 -0.59 1.25 -1.12 -2.47 0.00 0.00 174.74 172.33 1qum s SER 233 N -2.88 4.57 0.22 9.88 0.01 -1.26 -1.74 113.70 122.50 1qum s SER 233 Ca 0.07 2.51 -0.32 0.00 1.31 0.00 0.00 55.95 59.52 1qum s SER 233 Cb 0.04 -2.61 -0.13 0.00 0.21 0.00 0.00 66.02 63.54 1qum s SER 233 CO -0.09 -2.02 1.54 0.18 0.41 0.00 0.00 173.24 173.26 1qum n LEU 234 N -2.09 3.45 0.00 2.44 4.77 -1.26 -1.29 117.00 123.01 1qum n LEU 234 Ca 0.15 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 1qum n LEU 234 Cb 0.49 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1qum n LEU 234 CO 0.47 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1qum n GLY 235 N 2.81 2.99 0.01 -0.72 0.00 -1.26 -4.84 105.19 104.18 1qum n GLY 235 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1qum n GLY 235 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qum n GLU 236 N -2.00 0.09 0.00 1.61 1.02 -0.41 -4.59 120.64 116.36 1qum n GLU 236 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1qum n GLU 236 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1qum n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qum n GLY 237 N 1.45 2.11 0.02 0.62 0.00 -1.25 -4.96 105.19 103.18 1qum n GLY 237 Ca 0.04 -2.04 0.13 0.00 0.00 0.00 0.00 46.02 44.16 1qum n GLY 237 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qum n ASN 238 N 0.00 0.24 0.05 1.61 5.03 0.08 -3.59 115.26 118.67 1qum n ASN 238 Ca 0.00 0.34 -0.22 0.00 0.87 0.00 0.00 54.58 55.56 1qum n ASN 238 Cb 0.00 -0.35 -0.15 0.00 -1.02 0.00 0.00 39.78 38.26 1qum n ASN 238 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1qum h ILE 239 N 0.00 1.01 0.00 2.41 2.04 -1.91 -3.47 117.51 117.60 1qum h ILE 239 Ca 0.00 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.38 1qum h ILE 239 Cb 0.54 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1qum h ILE 239 CO 0.00 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.55 1qum n GLY 240 N 1.80 -0.94 0.21 5.37 0.00 -1.24 -4.46 105.19 105.94 1qum n GLY 240 Ca -0.24 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.24 1qum n GLY 240 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1qum h HIS 241 N 0.00 0.00 -0.80 1.61 2.07 -1.92 -3.36 115.15 112.76 1qum h HIS 241 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1qum h HIS 241 Cb 0.00 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.94 1qum h HIS 241 CO 0.00 0.00 0.39 -0.44 -3.07 0.00 0.00 177.93 174.81 1qum h ASP 242 N 0.00 1.05 -0.98 3.10 3.45 -1.89 -2.06 116.42 119.09 1qum h ASP 242 Ca 0.00 -0.13 0.11 0.00 0.43 0.00 0.00 57.03 57.43 1qum h ASP 242 Cb 0.97 -0.27 -0.08 0.00 -0.56 0.00 0.00 39.33 39.39 1qum h ASP 242 CO 0.00 0.89 0.63 0.00 -1.57 0.00 0.00 179.24 179.18 1qum h ALA 243 N 1.20 1.53 -0.15 3.45 0.00 -1.71 0.12 119.26 123.70 1qum h ALA 243 Ca 0.27 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 1qum h ALA 243 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1qum h ALA 243 CO -0.03 0.25 -0.70 0.74 0.00 0.00 0.00 179.25 179.50 1qum h PHE 244 N 1.00 0.85 -0.63 0.00 -1.00 -1.62 -0.41 116.94 115.14 1qum h PHE 244 Ca 0.47 -0.36 -0.05 0.00 2.81 0.00 0.00 57.97 60.84 1qum h PHE 244 Cb 0.43 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.82 1qum h PHE 244 CO -0.00 1.15 0.19 -0.09 -1.61 0.00 0.00 178.31 177.95 1qum h ARG 245 N 0.45 0.98 -0.28 1.51 2.43 -0.95 -1.74 114.38 116.77 1qum h ARG 245 Ca -0.03 -0.21 0.03 0.00 -0.81 0.00 0.00 59.98 58.96 1qum h ARG 245 Cb 1.30 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 1qum h ARG 245 CO 0.14 0.86 0.09 2.35 -1.51 0.00 0.00 179.97 181.90 1qum h TRP 246 N 0.90 0.15 -0.74 2.20 7.01 -0.77 -0.81 115.95 123.89 1qum h TRP 246 Ca 0.20 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.20 1qum h TRP 246 Cb 0.30 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.29 1qum h TRP 246 CO 0.02 0.06 0.40 0.82 -2.79 0.00 0.00 178.44 176.95 1qum h ILE 247 N 0.21 1.23 0.00 2.65 2.04 -0.99 -2.26 117.51 120.38 1qum h ILE 247 Ca 0.13 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 1qum h ILE 247 Cb 0.10 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1qum h ILE 247 CO -0.14 0.26 -0.19 0.24 0.00 0.00 0.00 178.15 178.32 1qum h MET 248 N 1.03 0.00 -0.01 2.37 2.86 -0.66 -2.50 114.93 118.02 1qum h MET 248 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1qum h MET 248 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1qum h MET 248 CO -0.04 0.19 -0.16 1.04 1.06 0.00 0.00 176.91 179.00 1qum n GLN 249 N -4.00 1.00 -3.65 1.72 6.02 -0.37 -4.55 117.38 113.55 1qum n GLN 249 Ca -0.02 -0.53 -0.37 0.00 -0.01 0.00 0.00 57.00 56.07 1qum n GLN 249 Cb 0.27 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.95 1qum n GLN 249 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1qum s ASP 250 N -2.37 6.12 0.00 1.08 3.68 -0.94 -4.97 116.67 119.27 1qum s ASP 250 Ca 0.29 0.12 0.24 0.00 2.13 0.00 0.00 52.55 55.33 1qum s ASP 250 Cb 0.20 -2.11 1.24 0.00 -1.45 0.00 0.00 42.92 40.79 1qum s ASP 250 CO 0.46 0.05 1.80 -0.90 0.13 0.00 0.00 175.17 176.72 1qum n ASP 251 N 4.35 0.00 0.21 -0.34 5.68 -1.26 -2.45 116.55 122.74 1qum n ASP 251 Ca -0.15 -0.13 0.15 0.00 -0.50 0.00 0.00 54.79 54.17 1qum n ASP 251 Cb 0.52 -0.26 0.66 0.00 -1.14 0.00 0.00 41.12 40.91 1qum n ASP 251 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1qum h ARG 252 N 0.00 0.00 -0.60 0.11 3.08 -1.93 -2.78 114.38 112.26 1qum h ARG 252 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qum h ARG 252 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1qum h ARG 252 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 1qum n PHE 253 N -2.65 1.96 -2.34 3.04 3.01 -1.02 -4.97 117.46 114.48 1qum n PHE 253 Ca 0.00 -0.69 -0.29 0.00 1.01 0.00 0.00 57.45 57.48 1qum n PHE 253 Cb 0.21 -0.46 -0.00 0.00 -0.01 0.00 0.00 39.48 39.22 1qum n PHE 253 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1qum s ASP 254 N -0.78 6.29 -0.21 4.37 -0.00 -1.05 -4.33 116.67 120.95 1qum s ASP 254 Ca 0.53 1.17 0.00 0.00 -0.00 0.00 0.00 52.55 54.26 1qum s ASP 254 Cb 0.40 -2.36 0.00 0.00 -0.00 0.00 0.00 42.92 40.96 1qum s ASP 254 CO 0.17 -0.68 0.00 0.61 -0.00 0.00 0.00 175.17 175.28 1qum n GLY 255 N -2.33 0.49 3.24 0.21 0.00 0.11 -4.96 105.19 101.95 1qum n GLY 255 Ca 0.03 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 1qum n GLY 255 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qum s ILE 256 N -1.80 1.34 0.03 -0.61 -4.36 -1.26 -4.94 121.20 109.60 1qum s ILE 256 Ca 0.00 -1.71 -0.30 0.00 -0.26 0.00 0.00 60.65 58.38 1qum s ILE 256 Cb 0.00 -1.53 -0.07 0.00 1.25 0.00 0.00 42.46 42.12 1qum s ILE 256 CO 0.00 -0.41 1.53 -2.84 0.24 0.00 0.00 174.94 173.47 1qum s PRO 257 N -2.64 4.24 -0.35 0.37 0.02 -1.26 -3.85 135.00 131.52 1qum s PRO 257 Ca 0.09 2.16 -0.08 0.00 0.02 0.00 0.00 61.00 63.19 1qum s PRO 257 Cb -0.05 -3.59 0.04 0.00 0.02 0.00 0.00 34.50 30.92 1qum s PRO 257 CO 0.03 -0.66 0.14 -0.51 -0.33 0.00 0.00 177.00 175.67 1qum s LEU 258 N 2.55 4.49 -0.20 -5.54 1.43 -0.17 -1.37 118.68 119.87 1qum s LEU 258 Ca 0.69 -1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1qum s LEU 258 Cb -0.36 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1qum s LEU 258 CO 0.29 -0.36 -0.10 -0.63 0.23 0.00 0.00 176.35 175.79 1qum s ILE 259 N 1.45 2.90 0.10 -0.59 -1.09 0.12 -0.59 121.20 123.50 1qum s ILE 259 Ca -0.00 -0.66 -0.31 0.00 -2.23 0.00 0.00 60.65 57.45 1qum s ILE 259 Cb -0.20 -2.29 -0.07 0.00 -1.58 0.00 0.00 42.46 38.32 1qum s ILE 259 CO 0.04 0.47 1.35 -0.76 -1.23 0.00 0.00 174.94 174.81 1qum s LEU 260 N 1.36 4.37 -0.24 2.97 1.43 0.57 -0.21 118.68 128.92 1qum s LEU 260 Ca 0.05 2.26 0.10 0.00 -1.03 0.00 0.00 54.13 55.51 1qum s LEU 260 Cb -0.14 -3.58 0.45 0.00 0.03 0.00 0.00 46.19 42.94 1qum s LEU 260 CO -0.06 -0.62 1.20 -0.62 0.23 0.00 0.00 176.35 176.48 1qum n GLU 261 N 3.97 2.56 -1.21 1.70 1.02 -1.24 -1.49 120.64 125.95 1qum n GLU 261 Ca 0.11 -3.70 -0.29 0.00 -0.02 0.00 0.00 57.16 53.25 1qum n GLU 261 Cb 0.43 -1.89 0.15 0.00 -0.02 0.00 0.00 31.44 30.11 1qum n GLU 261 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1qum s THR 262 N -3.83 2.52 -1.24 2.62 -4.23 -1.26 -4.83 115.64 105.39 1qum s THR 262 Ca 0.44 0.17 0.24 0.00 -1.18 0.00 0.00 61.69 61.36 1qum s THR 262 Cb 0.39 -2.67 0.02 0.00 1.34 0.00 0.00 72.50 71.58 1qum s THR 262 CO -0.02 -0.22 1.32 2.30 -0.54 0.00 0.00 174.62 177.47 1qum n ILE 263 N -3.94 0.00 -3.90 2.99 -5.35 -1.26 -4.52 119.36 103.38 1qum n ILE 263 Ca 0.07 -0.05 -0.32 0.00 -0.27 0.00 0.00 62.75 62.18 1qum n ILE 263 Cb 0.56 0.50 -0.13 0.00 -1.74 0.00 0.00 39.64 38.83 1qum n ILE 263 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1qum s ASN 264 N -2.85 4.61 0.64 7.28 3.84 -1.26 -4.97 114.94 122.23 1qum s ASN 264 Ca 0.14 -2.85 0.42 0.00 0.21 0.00 0.00 52.86 50.78 1qum s ASN 264 Cb 0.18 -1.69 2.23 0.00 -0.55 0.00 0.00 41.25 41.41 1qum s ASN 264 CO 0.68 -0.29 2.31 1.55 -2.79 0.00 0.00 177.10 178.56 1qum h PRO 265 N 6.79 0.00 0.00 0.43 0.13 -2.01 -1.93 132.00 135.41 1qum h PRO 265 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1qum h PRO 265 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1qum h PRO 265 CO 0.68 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.01 1qum h ASP 266 N 0.00 0.00 -0.29 1.44 3.32 -1.98 -2.32 116.42 116.59 1qum h ASP 266 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qum h ASP 266 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1qum h ASP 266 CO 0.00 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.82 1qum n ILE 267 N -3.01 1.55 -0.22 0.35 -5.35 -0.73 -4.69 119.36 107.27 1qum n ILE 267 Ca -0.02 -1.39 -0.01 0.00 -0.27 0.00 0.00 62.75 61.07 1qum n ILE 267 Cb 0.15 0.17 0.22 0.00 -1.74 0.00 0.00 39.64 38.43 1qum n ILE 267 CO 0.00 0.00 0.00 -0.50 -1.76 0.00 0.00 176.55 174.29 1qum h TRP 268 N 1.83 0.97 -0.88 4.28 6.55 -1.52 0.25 115.95 127.44 1qum h TRP 268 Ca 0.00 -0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.82 1qum h TRP 268 Cb 1.03 -0.32 -0.04 0.00 -0.86 0.00 0.00 29.16 28.97 1qum h TRP 268 CO 0.33 0.65 0.46 0.00 -1.05 0.00 0.00 178.44 178.84 1qum h ALA 269 N 1.46 1.12 -0.16 1.49 0.00 -1.82 0.21 119.26 121.57 1qum h ALA 269 Ca 0.26 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1qum h ALA 269 Cb -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1qum h ALA 269 CO -0.05 0.65 -0.58 0.93 0.00 0.00 0.00 179.25 180.20 1qum h GLU 270 N 1.23 0.52 -0.58 0.00 3.07 -1.67 -0.94 114.58 116.21 1qum h GLU 270 Ca 0.31 -0.34 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 1qum h GLU 270 Cb 0.05 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 1qum h GLU 270 CO -0.05 0.95 0.19 0.93 -1.40 0.00 0.00 179.01 179.64 1qum h GLU 271 N 0.39 0.89 -0.53 2.33 5.08 -0.49 0.11 114.58 122.37 1qum h GLU 271 Ca 0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1qum h GLU 271 Cb 1.13 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1qum h GLU 271 CO 0.11 0.79 0.28 0.82 -1.00 0.00 0.00 179.01 180.01 1qum h ILE 272 N 0.81 1.18 -0.21 3.13 2.04 -0.48 0.61 117.51 124.59 1qum h ILE 272 Ca 0.19 -0.48 -0.13 0.00 1.00 0.00 0.00 64.86 65.45 1qum h ILE 272 Cb 0.26 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1qum h ILE 272 CO -0.01 0.20 -0.40 0.00 0.00 0.00 0.00 178.15 177.94 1qum h ALA 273 N 1.12 0.91 -0.05 1.87 0.00 -0.89 -1.61 119.26 120.61 1qum h ALA 273 Ca 0.18 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1qum h ALA 273 Cb 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1qum h ALA 273 CO -0.03 0.63 0.01 2.35 0.00 0.00 0.00 179.25 182.21 1qum h TRP 274 N 0.41 0.08 -0.70 0.00 7.01 -0.69 -0.86 115.95 121.19 1qum h TRP 274 Ca 0.04 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.15 1qum h TRP 274 Cb 0.88 -0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 27.83 1qum h TRP 274 CO 0.03 0.28 0.25 -0.07 -2.79 0.00 0.00 178.44 176.15 1qum h LEU 275 N -0.15 0.22 -0.74 0.65 3.38 -0.68 -1.81 115.31 116.18 1qum h LEU 275 Ca 0.01 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1qum h LEU 275 Cb 0.24 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1qum h LEU 275 CO 0.00 0.09 0.48 0.11 0.09 0.00 0.00 178.44 179.21 1qum h LYS 276 N 0.41 0.91 0.00 1.13 1.57 -0.99 -2.00 116.57 117.59 1qum h LYS 276 Ca 0.38 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1qum h LYS 276 Cb 0.55 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1qum h LYS 276 CO -0.39 0.60 0.00 0.00 -0.57 0.00 0.00 179.45 179.10 1qum n ALA 277 N -2.32 1.89 1.34 3.86 0.00 -0.36 -2.59 120.51 122.34 1qum n ALA 277 Ca 0.08 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1qum n ALA 277 Cb 0.07 -1.35 0.64 0.00 0.00 0.00 0.00 19.45 18.80 1qum n ALA 277 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qum n GLN 278 N -1.76 0.48 0.00 0.00 1.13 -0.75 -5.08 117.38 111.40 1qum n GLN 278 Ca 0.04 -0.11 0.11 0.00 -1.94 0.00 0.00 57.00 55.10 1qum n GLN 278 Cb 0.25 -1.50 0.64 0.00 0.11 0.00 0.00 30.24 29.75 1qum n GLN 278 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66