#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbg n ARG 3 N 0.00 0.00 -4.08 5.55 5.12 -1.26 -4.93 116.66 117.06 1qbg n ARG 3 Ca 0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 1qbg n ARG 3 Cb 0.00 -0.67 -0.15 0.00 -1.16 0.00 0.00 32.46 30.48 1qbg n ARG 3 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1qbg s ARG 4 N -0.36 2.41 0.17 5.56 0.52 -1.26 0.24 118.95 126.23 1qbg s ARG 4 Ca 0.00 -1.24 0.09 0.00 -0.52 0.00 0.00 55.73 54.07 1qbg s ARG 4 Cb 0.00 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 1qbg s ARG 4 CO 0.00 -0.49 -0.14 0.00 0.02 0.00 0.00 175.30 174.69 1qbg s ALA 5 N 1.14 2.83 -0.07 2.13 0.00 0.88 0.12 121.76 128.79 1qbg s ALA 5 Ca -0.06 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.44 1qbg s ALA 5 Cb -0.18 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.30 1qbg s ALA 5 CO -0.07 0.49 -0.09 -1.17 0.00 0.00 0.00 175.76 174.92 1qbg s LEU 6 N -2.66 1.45 -0.30 0.00 2.96 -0.21 -0.96 118.68 118.96 1qbg s LEU 6 Ca 0.23 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1qbg s LEU 6 Cb -0.09 -0.72 0.04 0.00 0.50 0.00 0.00 46.19 45.92 1qbg s LEU 6 CO 0.13 -0.02 0.02 -0.63 -1.32 0.00 0.00 176.35 174.53 1qbg s ILE 7 N 0.95 3.22 -0.42 6.68 1.01 -0.37 -0.79 121.20 131.48 1qbg s ILE 7 Ca -0.10 -1.19 -0.17 0.00 0.00 0.00 0.00 60.65 59.19 1qbg s ILE 7 Cb -0.15 -2.78 0.02 0.00 0.01 0.00 0.00 42.46 39.56 1qbg s ILE 7 CO 0.00 -0.04 0.43 -0.69 0.00 0.00 0.00 174.94 174.64 1qbg s VAL 8 N 1.32 5.10 -0.10 2.92 1.01 0.26 -1.36 120.40 129.55 1qbg s VAL 8 Ca -0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1qbg s VAL 8 Cb -0.19 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1qbg s VAL 8 CO -0.01 -0.42 0.12 -0.22 0.00 0.00 0.00 175.10 174.58 1qbg s LEU 9 N 2.11 4.24 -0.50 3.92 2.96 -0.98 -1.21 118.68 129.22 1qbg s LEU 9 Ca 0.12 0.39 0.08 0.00 -0.22 0.00 0.00 54.13 54.50 1qbg s LEU 9 Cb -0.17 -2.09 0.32 0.00 0.50 0.00 0.00 46.19 44.74 1qbg s LEU 9 CO 0.13 0.38 0.80 0.00 -1.32 0.00 0.00 176.35 176.34 1qbg n ALA 10 N 1.87 3.47 -3.39 5.97 0.00 -0.60 -2.71 120.51 125.11 1qbg n ALA 10 Ca -0.19 -4.15 -0.13 0.00 0.00 0.00 0.00 53.44 48.98 1qbg n ALA 10 Cb 0.54 -0.83 -0.12 0.00 0.00 0.00 0.00 19.45 19.04 1qbg n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1qbg s HIS 11 N -2.70 -0.28 0.08 0.00 5.04 -1.26 -4.53 115.29 111.63 1qbg s HIS 11 Ca 0.43 0.69 -0.13 0.00 -1.54 0.00 0.00 55.06 54.51 1qbg s HIS 11 Cb 0.27 0.07 -0.22 0.00 0.04 0.00 0.00 32.58 32.74 1qbg s HIS 11 CO -0.10 -0.17 1.20 0.66 -2.34 0.00 0.00 174.74 174.00 1qbg h SER 12 N 6.43 0.87 -3.62 9.88 4.64 -1.97 -3.43 113.55 126.34 1qbg h SER 12 Ca -0.33 -0.70 -0.51 0.00 -0.47 0.00 0.00 61.79 59.79 1qbg h SER 12 Cb 1.18 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 1qbg h SER 12 CO 0.37 1.50 0.17 -1.61 -0.87 0.00 0.00 176.83 176.39 1qbg s GLU 13 N -3.31 4.38 0.00 4.77 0.41 -1.26 -4.96 118.70 118.73 1qbg s GLU 13 Ca -0.09 1.01 0.24 0.00 -0.41 0.00 0.00 54.97 55.72 1qbg s GLU 13 Cb 0.07 -2.94 0.32 0.00 -1.78 0.00 0.00 34.13 29.80 1qbg s GLU 13 CO 0.92 0.41 1.28 0.54 -0.49 0.00 0.00 175.26 177.92 1qbg n ARG 14 N 0.86 0.33 -0.15 1.61 3.00 -1.26 -3.76 116.66 117.29 1qbg n ARG 14 Ca -0.02 -0.23 0.11 0.00 -0.01 0.00 0.00 57.85 57.70 1qbg n ARG 14 Cb 0.50 -1.50 0.26 0.00 0.00 0.00 0.00 32.46 31.73 1qbg n ARG 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1qbg n THR 15 N -1.14 0.39 -2.49 0.55 -2.24 -1.26 -4.69 114.28 103.41 1qbg n THR 15 Ca 0.07 -0.61 -0.27 0.00 -2.27 0.00 0.00 64.05 60.97 1qbg n THR 15 Cb 0.35 0.80 0.01 0.00 -2.10 0.00 0.00 70.33 69.39 1qbg n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qbg s SER 16 N -1.52 6.01 0.39 3.42 1.04 -1.25 -4.98 113.70 116.81 1qbg s SER 16 Ca 0.36 0.88 0.16 0.00 0.48 0.00 0.00 55.95 57.84 1qbg s SER 16 Cb 0.21 -2.06 0.80 0.00 0.10 0.00 0.00 66.02 65.07 1qbg s SER 16 CO 0.30 -0.78 1.83 0.15 0.98 0.00 0.00 173.24 175.72 1qbg h PHE 17 N 0.03 0.00 -0.71 5.02 3.57 -1.92 -2.05 116.94 120.88 1qbg h PHE 17 Ca -0.46 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 60.99 1qbg h PHE 17 Cb 1.22 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1qbg h PHE 17 CO 0.55 0.35 0.25 -0.91 -2.23 0.00 0.00 178.31 176.31 1qbg h ASN 18 N 0.00 1.01 -0.27 0.41 2.35 -1.93 0.46 115.58 117.61 1qbg h ASN 18 Ca -0.00 -0.19 -0.14 0.00 -0.55 0.00 0.00 56.30 55.41 1qbg h ASN 18 Cb 0.69 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1qbg h ASN 18 CO 0.05 0.93 -0.35 0.22 -1.65 0.00 0.00 177.43 176.63 1qbg h TYR 19 N 1.03 0.94 -0.63 1.19 3.20 -1.71 -0.68 116.97 120.31 1qbg h TYR 19 Ca 0.23 -0.26 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1qbg h TYR 19 Cb 0.27 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1qbg h TYR 19 CO 0.02 1.03 0.31 0.00 -1.64 0.00 0.00 178.16 177.88 1qbg h ALA 20 N 0.94 0.81 -0.10 1.82 0.00 -0.71 -0.47 119.26 121.55 1qbg h ALA 20 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1qbg h ALA 20 Cb 0.90 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1qbg h ALA 20 CO 0.08 0.36 -0.36 0.52 0.00 0.00 0.00 179.25 179.86 1qbg h MET 21 N 0.86 0.20 -0.32 0.00 2.86 0.10 -1.34 114.93 117.30 1qbg h MET 21 Ca 0.22 -0.08 -0.16 0.00 -2.06 0.00 0.00 59.70 57.62 1qbg h MET 21 Cb 0.11 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1qbg h MET 21 CO -0.03 0.54 -0.42 -0.22 1.06 0.00 0.00 176.91 177.84 1qbg h LYS 22 N 0.17 0.84 -0.16 1.72 3.11 -0.50 -2.33 116.57 119.43 1qbg h LYS 22 Ca 0.02 -0.48 -0.13 0.00 -2.81 0.00 0.00 60.65 57.25 1qbg h LYS 22 Cb 0.72 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.98 1qbg h LYS 22 CO 0.05 1.12 -0.47 0.93 -2.81 0.00 0.00 179.45 178.28 1qbg h GLU 23 N 0.62 0.39 -0.58 1.90 4.39 -0.91 -2.59 114.58 117.80 1qbg h GLU 23 Ca 0.04 -0.22 -0.11 0.00 0.34 0.00 0.00 59.36 59.41 1qbg h GLU 23 Cb 1.01 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 1qbg h GLU 23 CO 0.10 0.78 -0.06 0.00 -1.16 0.00 0.00 179.01 178.67 1qbg h ALA 24 N 1.19 0.79 -0.32 3.43 0.00 -1.18 -2.43 119.26 120.73 1qbg h ALA 24 Ca 0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1qbg h ALA 24 Cb 0.94 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1qbg h ALA 24 CO 0.08 0.67 0.02 0.00 0.00 0.00 0.00 179.25 180.02 1qbg h ALA 25 N 0.96 0.43 -0.63 0.00 0.00 -1.32 -2.26 119.26 116.45 1qbg h ALA 25 Ca 0.16 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1qbg h ALA 25 Cb 0.63 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1qbg h ALA 25 CO 0.04 0.17 0.41 0.00 0.00 0.00 0.00 179.25 179.88 1qbg h ALA 26 N 0.86 0.79 0.27 0.00 0.00 -1.40 -1.65 119.26 118.13 1qbg h ALA 26 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1qbg h ALA 26 Cb 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qbg h ALA 26 CO 0.01 0.22 -0.13 0.00 0.00 0.00 0.00 179.25 179.35 1qbg h ALA 27 N 1.23 -0.37 -0.09 0.00 0.00 -1.36 -1.06 119.26 117.62 1qbg h ALA 27 Ca 0.23 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1qbg h ALA 27 Cb -0.09 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1qbg h ALA 27 CO -0.05 -0.67 -0.11 0.00 0.00 0.00 0.00 179.25 178.41 1qbg h ALA 28 N 0.29 -0.05 -0.72 0.00 0.00 -1.29 0.22 119.26 117.71 1qbg h ALA 28 Ca -0.04 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1qbg h ALA 28 Cb 0.33 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1qbg h ALA 28 CO 0.06 -0.57 0.47 -0.07 0.00 0.00 0.00 179.25 179.14 1qbg h LEU 29 N -0.15 0.81 -0.63 0.00 4.07 -1.29 -2.46 115.31 115.67 1qbg h LEU 29 Ca 0.07 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 1qbg h LEU 29 Cb 0.25 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 1qbg h LEU 29 CO -0.18 0.58 0.22 0.11 -1.08 0.00 0.00 178.44 178.10 1qbg h LYS 30 N 0.96 0.96 0.00 1.13 1.57 -0.82 1.00 116.57 121.37 1qbg h LYS 30 Ca 0.27 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1qbg h LYS 30 Cb -0.08 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 1qbg h LYS 30 CO -0.07 0.83 -0.02 0.87 -0.57 0.00 0.00 179.45 180.49 1qbg h LYS 31 N 0.89 0.00 -0.27 3.15 1.57 -0.53 -0.01 116.57 121.37 1qbg h LYS 31 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1qbg h LYS 31 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1qbg h LYS 31 CO -0.01 0.02 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 1qbg n LYS 32 N -3.64 2.23 -1.42 3.15 4.76 -0.77 -4.94 118.16 117.52 1qbg n LYS 32 Ca -0.03 -1.85 0.00 0.00 -2.87 0.00 0.00 58.31 53.57 1qbg n LYS 32 Cb 0.11 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 1qbg n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qbg n GLY 33 N 1.37 0.91 3.88 0.72 0.00 -0.02 -5.07 105.19 106.98 1qbg n GLY 33 Ca 0.18 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1qbg n GLY 33 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qbg s TRP 34 N -2.14 3.59 -0.43 1.61 0.52 0.27 -4.82 118.94 117.53 1qbg s TRP 34 Ca 0.00 0.58 -0.21 0.00 0.02 0.00 0.00 56.10 56.48 1qbg s TRP 34 Cb 0.00 -1.99 0.02 0.00 -1.15 0.00 0.00 33.47 30.35 1qbg s TRP 34 CO 0.00 0.63 0.69 -2.00 0.02 0.00 0.00 176.95 176.29 1qbg s GLU 35 N -1.65 3.36 -0.31 4.98 2.12 0.67 -4.23 118.70 123.63 1qbg s GLU 35 Ca 0.26 -0.25 -0.12 0.00 0.36 0.00 0.00 54.97 55.23 1qbg s GLU 35 Cb -0.13 -3.93 -0.03 0.00 0.26 0.00 0.00 34.13 30.30 1qbg s GLU 35 CO 0.15 -1.02 0.21 0.08 -0.54 0.00 0.00 175.26 174.14 1qbg s VAL 36 N 2.96 5.17 0.01 3.70 1.01 -1.26 -0.08 120.40 131.90 1qbg s VAL 36 Ca 0.25 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1qbg s VAL 36 Cb -0.13 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1qbg s VAL 36 CO 0.20 0.09 -0.03 -0.69 0.00 0.00 0.00 175.10 174.67 1qbg s VAL 37 N 1.72 3.91 0.36 2.92 1.01 -0.14 -5.00 120.40 125.17 1qbg s VAL 37 Ca 0.06 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.43 1qbg s VAL 37 Cb -0.17 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 1qbg s VAL 37 CO 0.10 0.37 -0.04 -1.61 0.00 0.00 0.00 175.10 173.92 1qbg s GLU 38 N -1.53 1.92 -0.44 2.72 2.02 -1.26 -1.23 118.70 120.89 1qbg s GLU 38 Ca 0.19 -1.92 0.06 0.00 0.02 0.00 0.00 54.97 53.32 1qbg s GLU 38 Cb -0.11 -1.76 0.22 0.00 0.10 0.00 0.00 34.13 32.57 1qbg s GLU 38 CO 0.09 0.10 0.61 0.43 0.02 0.00 0.00 175.26 176.51 1qbg n SER 39 N -0.88 -1.41 -4.57 -0.19 7.64 -0.46 -4.88 113.62 108.87 1qbg n SER 39 Ca -0.05 -2.81 -0.42 0.00 1.01 0.00 0.00 58.87 56.61 1qbg n SER 39 Cb 0.64 0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 64.25 1qbg n SER 39 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1qbg s ASP 40 N -0.65 6.63 0.30 6.43 -1.08 -1.26 -2.33 116.67 124.71 1qbg s ASP 40 Ca 0.33 -1.97 0.03 0.00 -0.52 0.00 0.00 52.55 50.42 1qbg s ASP 40 Cb 0.12 -2.58 0.78 0.00 -1.46 0.00 0.00 42.92 39.79 1qbg s ASP 40 CO -0.16 -1.38 1.60 -0.07 0.52 0.00 0.00 175.17 175.68 1qbg h LEU 41 N 12.87 -0.26 -0.42 -1.34 3.38 -1.89 0.04 115.31 127.69 1qbg h LEU 41 Ca 0.33 0.25 -0.16 0.00 0.09 0.00 0.00 57.88 58.39 1qbg h LEU 41 Cb 0.93 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1qbg h LEU 41 CO 1.44 -0.30 -0.40 1.88 0.09 0.00 0.00 178.44 181.15 1qbg h TYR 42 N 0.07 1.08 -0.01 1.13 0.05 -1.84 -1.29 116.97 116.16 1qbg h TYR 42 Ca 0.60 -0.33 -0.10 0.00 0.05 0.00 0.00 58.73 58.95 1qbg h TYR 42 Cb 1.27 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 1qbg h TYR 42 CO -0.38 1.14 -0.48 0.00 -1.05 0.00 0.00 178.16 177.39 1qbg h ALA 43 N 0.81 1.19 -0.01 3.88 0.00 -1.39 -2.45 119.26 121.29 1qbg h ALA 43 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1qbg h ALA 43 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1qbg h ALA 43 CO 0.10 0.61 -0.05 -1.33 0.00 0.00 0.00 179.25 178.58 1qbg n MET 44 N -3.96 1.21 -3.84 0.00 2.81 -0.24 -4.90 117.12 108.19 1qbg n MET 44 Ca -0.02 -0.51 -0.28 0.00 -1.81 0.00 0.00 57.70 55.09 1qbg n MET 44 Cb 0.50 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.56 1qbg n MET 44 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1qbg n ASN 45 N -0.45 -4.08 -4.76 7.83 5.15 -0.92 -4.86 115.26 113.17 1qbg n ASN 45 Ca 0.19 -0.77 -0.41 0.00 -0.60 0.00 0.00 54.58 52.98 1qbg n ASN 45 Cb 0.27 -4.03 -0.01 0.00 -0.53 0.00 0.00 39.78 35.49 1qbg n ASN 45 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1qbg n PHE 46 N -4.62 2.85 -3.24 1.20 7.35 -0.52 -4.97 117.46 115.51 1qbg n PHE 46 Ca -0.04 0.42 -0.41 0.00 -0.76 0.00 0.00 57.45 56.66 1qbg n PHE 46 Cb 0.56 -2.53 -0.08 0.00 0.35 0.00 0.00 39.48 37.79 1qbg n PHE 46 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1qbg s ASN 47 N -0.01 6.33 0.14 -2.13 3.04 -1.26 -4.96 114.94 116.09 1qbg s ASN 47 Ca 0.56 0.03 0.25 0.00 0.04 0.00 0.00 52.86 53.73 1qbg s ASN 47 Cb -0.50 -2.27 0.44 0.00 -1.54 0.00 0.00 41.25 37.39 1qbg s ASN 47 CO 0.60 -0.46 1.42 -0.81 -3.04 0.00 0.00 177.10 174.81 1qbg n PRO 48 N 5.72 0.28 -2.91 0.43 -0.04 -1.26 -4.86 135.00 132.37 1qbg n PRO 48 Ca -0.05 0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 1qbg n PRO 48 Cb 0.49 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 32.20 1qbg n PRO 48 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1qbg s ILE 49 N -3.15 4.87 0.35 0.52 -1.09 -1.26 -4.31 121.20 117.13 1qbg s ILE 49 Ca 0.07 1.57 -0.25 0.00 -2.23 0.00 0.00 60.65 59.81 1qbg s ILE 49 Cb 0.13 -4.11 -0.09 0.00 -1.58 0.00 0.00 42.46 36.80 1qbg s ILE 49 CO 0.69 -0.01 1.01 0.27 -1.23 0.00 0.00 174.94 175.67 1qbg s ILE 50 N 2.44 3.91 0.17 2.92 -4.36 -1.26 -4.99 121.20 120.03 1qbg s ILE 50 Ca 0.36 1.56 -0.24 0.00 -0.26 0.00 0.00 60.65 62.07 1qbg s ILE 50 Cb -0.16 -3.85 0.07 0.00 1.25 0.00 0.00 42.46 39.76 1qbg s ILE 50 CO 0.10 0.10 0.98 -0.55 0.24 0.00 0.00 174.94 175.81 1qbg s SER 51 N -1.52 -0.12 0.49 4.36 0.15 -1.26 -5.00 113.70 110.81 1qbg s SER 51 Ca 0.53 -0.50 0.33 0.00 0.70 0.00 0.00 55.95 57.01 1qbg s SER 51 Cb -0.21 0.50 1.79 0.00 -1.71 0.00 0.00 66.02 66.38 1qbg s SER 51 CO 0.27 -0.94 2.01 0.08 1.20 0.00 0.00 173.24 175.85 1qbg h ARG 52 N 2.00 0.00 0.00 5.44 0.11 -1.96 -0.31 114.38 119.66 1qbg h ARG 52 Ca -0.25 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.79 1qbg h ARG 52 Cb 1.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 1qbg h ARG 52 CO 0.29 0.00 -0.17 0.87 0.10 0.00 0.00 179.97 181.05 1qbg h LYS 53 N 0.00 0.00 0.00 0.08 1.79 -1.97 -2.36 116.57 114.11 1qbg h LYS 53 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1qbg h LYS 53 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1qbg h LYS 53 CO 0.00 0.17 0.00 -0.44 -1.08 0.00 0.00 179.45 178.10 1qbg h ASP 54 N 0.00 0.00 -3.50 0.86 3.32 -1.43 -3.38 116.42 112.29 1qbg h ASP 54 Ca -0.00 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.33 1qbg h ASP 54 Cb 0.62 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.93 1qbg h ASP 54 CO 0.02 0.00 -0.46 -0.63 -1.72 0.00 0.00 179.24 176.45 1qbg s ILE 55 N -3.81 4.74 -1.27 0.35 1.09 -0.89 -0.03 121.20 121.39 1qbg s ILE 55 Ca -0.02 -0.96 -0.10 0.00 -1.10 0.00 0.00 60.65 58.47 1qbg s ILE 55 Cb 0.10 -3.72 0.17 0.00 -1.06 0.00 0.00 42.46 37.95 1qbg s ILE 55 CO 0.36 -0.36 1.81 0.35 -0.10 0.00 0.00 174.94 177.01 1qbg n THR 56 N 5.05 4.35 -3.22 2.92 -2.24 0.79 -4.87 114.28 117.06 1qbg n THR 56 Ca -0.11 -4.46 0.00 0.00 -2.27 0.00 0.00 64.05 57.20 1qbg n THR 56 Cb 0.45 -2.37 0.00 0.00 -2.10 0.00 0.00 70.33 66.32 1qbg n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qbg n GLY 57 N 2.94 -0.54 3.76 3.38 0.00 -1.26 -4.82 105.19 108.66 1qbg n GLY 57 Ca 0.39 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 1qbg n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbg s LYS 58 N -0.88 4.58 0.06 1.61 1.02 -1.26 -5.05 119.74 119.82 1qbg s LYS 58 Ca 0.00 1.18 -0.19 0.00 0.02 0.00 0.00 55.97 56.98 1qbg s LYS 58 Cb 0.00 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 33.95 1qbg s LYS 58 CO 0.00 0.46 0.54 -0.51 -0.92 0.00 0.00 175.35 174.92 1qbg s LEU 59 N -0.76 4.52 0.48 3.17 1.43 -1.26 -4.97 118.68 121.29 1qbg s LEU 59 Ca 0.38 1.21 0.15 0.00 -1.03 0.00 0.00 54.13 54.84 1qbg s LEU 59 Cb -0.23 -2.85 1.12 0.00 0.03 0.00 0.00 46.19 44.27 1qbg s LEU 59 CO 0.26 0.28 2.07 0.50 0.23 0.00 0.00 176.35 179.69 1qbg h LYS 60 N 4.60 0.03 -1.87 1.70 3.64 -1.96 -3.34 116.57 119.37 1qbg h LYS 60 Ca -0.50 -0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.44 1qbg h LYS 60 Cb 1.21 -0.01 -0.30 0.00 -0.41 0.00 0.00 32.23 32.72 1qbg h LYS 60 CO 0.63 0.10 -0.82 -3.47 -2.27 0.00 0.00 179.45 173.63 1qbg n ASP 61 N -4.44 -1.49 0.25 4.20 -0.08 -1.26 -4.99 116.55 108.75 1qbg n ASP 61 Ca -0.02 -2.57 0.08 0.00 -1.51 0.00 0.00 54.79 50.76 1qbg n ASP 61 Cb 0.16 0.24 0.62 0.00 2.34 0.00 0.00 41.12 44.48 1qbg n ASP 61 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1qbg h PRO 62 N 5.35 0.00 -0.05 -0.67 0.11 -2.00 -2.72 132.00 132.02 1qbg h PRO 62 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1qbg h PRO 62 Cb 0.98 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1qbg h PRO 62 CO 0.25 0.06 -0.02 0.00 -0.21 0.00 0.00 178.00 178.09 1qbg h ALA 63 N 1.94 0.06 -3.15 -0.75 0.00 -1.94 -3.36 119.26 112.05 1qbg h ALA 63 Ca -0.00 -0.22 -0.64 0.00 0.00 0.00 0.00 54.91 54.05 1qbg h ALA 63 Cb 0.12 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.49 1qbg h ALA 63 CO 0.01 -0.21 -0.52 -0.80 0.00 0.00 0.00 179.25 177.73 1qbg s ASN 64 N -5.71 4.85 -0.07 0.00 -0.87 -1.05 -5.08 114.94 107.01 1qbg s ASN 64 Ca -0.15 -3.54 -0.30 0.00 -1.57 0.00 0.00 52.86 47.30 1qbg s ASN 64 Cb 0.03 -1.69 -0.03 0.00 -0.02 0.00 0.00 41.25 39.55 1qbg s ASN 64 CO 0.69 -0.16 1.22 0.12 -2.57 0.00 0.00 177.10 176.41 1qbg s PHE 65 N -1.02 3.11 -0.27 2.20 2.19 -1.09 -4.74 117.98 118.36 1qbg s PHE 65 Ca 0.22 1.15 0.01 0.00 0.33 0.00 0.00 56.93 58.65 1qbg s PHE 65 Cb -0.12 -3.45 0.07 0.00 -1.31 0.00 0.00 43.02 38.21 1qbg s PHE 65 CO -0.11 -1.45 -0.02 -0.65 1.83 0.00 0.00 175.22 174.83 1qbg s GLN 66 N 2.46 1.54 0.16 10.12 -0.21 -1.26 -5.04 119.66 127.43 1qbg s GLN 66 Ca 0.56 -1.20 -0.22 0.00 0.02 0.00 0.00 55.36 54.52 1qbg s GLN 66 Cb -0.24 -2.66 0.06 0.00 1.00 0.00 0.00 33.01 31.17 1qbg s GLN 66 CO 0.21 -0.71 1.62 -0.92 -2.12 0.00 0.00 175.29 173.36 1qbg h TYR 67 N 7.89 -0.72 -0.44 0.91 3.20 -1.97 0.80 116.97 126.65 1qbg h TYR 67 Ca -0.15 0.05 0.09 0.00 3.14 0.00 0.00 58.73 61.86 1qbg h TYR 67 Cb 1.05 0.37 -0.09 0.00 1.54 0.00 0.00 36.73 39.60 1qbg h TYR 67 CO 0.49 -0.34 -0.19 -1.00 -1.64 0.00 0.00 178.16 175.48 1qbg h PRO 68 N -0.22 -0.09 -0.19 1.82 0.13 -1.98 0.58 132.00 132.05 1qbg h PRO 68 Ca 0.17 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.26 1qbg h PRO 68 Cb 0.49 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1qbg h PRO 68 CO -0.48 -0.06 -0.07 0.00 -0.23 0.00 0.00 178.00 177.16 1qbg h ALA 69 N 1.23 0.26 -0.51 -0.56 0.00 -1.93 -2.75 119.26 115.00 1qbg h ALA 69 Ca 0.21 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1qbg h ALA 69 Cb 0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1qbg h ALA 69 CO -0.50 0.06 0.07 0.93 0.00 0.00 0.00 179.25 179.81 1qbg h GLU 70 N 0.08 0.85 -0.16 0.00 4.39 -0.44 -2.53 114.58 116.77 1qbg h GLU 70 Ca 0.05 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.43 1qbg h GLU 70 Cb 0.53 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1qbg h GLU 70 CO 0.02 0.85 -0.25 0.66 -1.16 0.00 0.00 179.01 179.14 1qbg h SER 71 N 0.73 0.29 -0.13 1.42 4.64 0.11 -0.94 113.55 119.68 1qbg h SER 71 Ca 0.15 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 1qbg h SER 71 Cb 0.43 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1qbg h SER 71 CO 0.01 0.55 -0.23 0.58 -0.87 0.00 0.00 176.83 176.87 1qbg h VAL 72 N 0.27 1.37 -0.48 0.95 2.07 -1.38 -1.42 116.25 117.63 1qbg h VAL 72 Ca 0.04 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 1qbg h VAL 72 Cb 0.59 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1qbg h VAL 72 CO 0.04 0.44 0.22 0.25 0.02 0.00 0.00 177.57 178.54 1qbg h LEU 73 N -0.02 0.63 -1.00 2.57 5.85 -1.35 -0.15 115.31 121.84 1qbg h LEU 73 Ca 0.01 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1qbg h LEU 73 Cb 0.81 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 1qbg h LEU 73 CO 0.05 0.60 0.66 0.00 -0.34 0.00 0.00 178.44 179.40 1qbg h ALA 74 N 1.06 1.32 -0.36 1.25 0.00 -1.15 0.10 119.26 121.48 1qbg h ALA 74 Ca 0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1qbg h ALA 74 Cb 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1qbg h ALA 74 CO -0.02 0.58 0.04 -0.92 0.00 0.00 0.00 179.25 178.93 1qbg h TYR 75 N 1.29 0.65 -0.50 0.00 3.20 -0.67 0.67 116.97 121.61 1qbg h TYR 75 Ca 0.39 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1qbg h TYR 75 Cb -0.03 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1qbg h TYR 75 CO -0.00 0.68 0.33 0.87 -1.64 0.00 0.00 178.16 178.39 1qbg h LYS 76 N 0.44 0.65 -0.02 1.82 6.56 -0.27 -2.71 116.57 123.05 1qbg h LYS 76 Ca 0.11 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1qbg h LYS 76 Cb 0.39 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1qbg h LYS 76 CO 0.01 0.43 0.00 0.39 -2.06 0.00 0.00 179.45 178.22 1qbg n GLU 77 N -4.74 1.62 -3.02 3.15 1.02 -0.05 -4.95 120.64 113.67 1qbg n GLU 77 Ca 0.02 -0.90 -0.12 0.00 -0.02 0.00 0.00 57.16 56.14 1qbg n GLU 77 Cb 0.02 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.00 1qbg n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qbg n GLY 78 N 1.16 0.21 1.52 0.62 0.00 0.19 -4.96 105.19 103.94 1qbg n GLY 78 Ca 0.19 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1qbg n GLY 78 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qbg n HIS 79 N -3.74 1.76 -3.46 1.61 8.25 0.21 -5.01 115.22 114.83 1qbg n HIS 79 Ca 0.00 -1.96 -0.32 0.00 -0.26 0.00 0.00 57.72 55.18 1qbg n HIS 79 Cb 0.53 -0.57 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 1qbg n HIS 79 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1qbg s LEU 80 N -3.42 4.19 0.20 2.41 1.43 -1.25 -0.15 118.68 122.10 1qbg s LEU 80 Ca 0.49 0.86 -0.32 0.00 -1.03 0.00 0.00 54.13 54.13 1qbg s LEU 80 Cb 0.42 -3.59 -0.15 0.00 0.03 0.00 0.00 46.19 42.90 1qbg s LEU 80 CO 0.00 -0.04 1.30 -0.24 0.23 0.00 0.00 176.35 177.60 1qbg n SER 81 N -0.05 2.10 -0.31 2.29 2.88 0.96 -4.68 113.62 116.81 1qbg n SER 81 Ca -0.00 1.14 0.27 0.00 -1.33 0.00 0.00 58.87 58.95 1qbg n SER 81 Cb 0.52 -1.33 0.60 0.00 -0.75 0.00 0.00 64.21 63.25 1qbg n SER 81 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1qbg h PRO 82 N 3.91 0.24 0.00 -1.46 0.11 -1.95 -0.06 132.00 132.79 1qbg h PRO 82 Ca -0.44 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1qbg h PRO 82 Cb 1.31 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1qbg h PRO 82 CO 0.74 0.16 -0.53 0.38 -0.21 0.00 0.00 178.00 178.53 1qbg h ASP 83 N 0.25 0.00 -0.01 -2.05 2.03 -1.99 -2.62 116.42 112.02 1qbg h ASP 83 Ca 0.58 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.75 1qbg h ASP 83 Cb 1.76 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 40.27 1qbg h ASP 83 CO -0.19 0.53 -0.50 0.40 -1.03 0.00 0.00 179.24 178.45 1qbg h ILE 84 N 0.00 1.45 -0.01 4.15 2.04 -1.37 -3.20 117.51 120.57 1qbg h ILE 84 Ca -0.01 -2.01 -0.01 0.00 1.00 0.00 0.00 64.86 63.83 1qbg h ILE 84 Cb 1.15 2.60 -0.00 0.00 -0.74 0.00 0.00 36.82 39.83 1qbg h ILE 84 CO 0.07 0.58 -0.06 0.58 0.00 0.00 0.00 178.15 179.32 1qbg h VAL 85 N -0.19 1.05 -0.38 1.67 2.07 -1.42 -2.14 116.25 116.91 1qbg h VAL 85 Ca -0.06 -0.23 -0.16 0.00 0.82 0.00 0.00 66.70 67.07 1qbg h VAL 85 Cb 1.21 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1qbg h VAL 85 CO 0.10 0.07 -0.39 0.00 0.02 0.00 0.00 177.57 177.36 1qbg h ALA 86 N 1.93 0.58 -0.20 1.67 0.00 -1.50 -2.14 119.26 119.59 1qbg h ALA 86 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 1qbg h ALA 86 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qbg h ALA 86 CO 0.01 0.68 -0.53 0.93 0.00 0.00 0.00 179.25 180.34 1qbg h GLU 87 N 0.76 0.59 -0.30 0.00 4.39 -1.46 -2.96 114.58 115.60 1qbg h GLU 87 Ca 0.06 -0.36 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 1qbg h GLU 87 Cb 0.99 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 1qbg h GLU 87 CO 0.10 0.97 -0.09 1.96 -1.16 0.00 0.00 179.01 180.79 1qbg h GLN 88 N 0.46 0.50 -0.22 2.33 4.20 -1.32 -2.35 115.11 118.71 1qbg h GLN 88 Ca 0.01 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 1qbg h GLN 88 Cb 1.07 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1qbg h GLN 88 CO 0.10 0.59 -0.25 0.87 -0.67 0.00 0.00 178.83 179.47 1qbg h LYS 89 N 0.47 0.41 -0.22 1.46 1.57 -1.24 -2.14 116.57 116.88 1qbg h LYS 89 Ca 0.09 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1qbg h LYS 89 Cb 0.44 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1qbg h LYS 89 CO 0.02 0.63 -0.05 0.87 -0.57 0.00 0.00 179.45 180.35 1qbg h LYS 90 N 0.36 0.42 0.04 3.15 1.57 -1.28 -3.04 116.57 117.80 1qbg h LYS 90 Ca 0.06 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1qbg h LYS 90 Cb 0.63 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1qbg h LYS 90 CO 0.05 0.66 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.44 1qbg h LEU 91 N 0.15 -0.21 -1.11 2.94 3.38 -1.28 -1.09 115.31 118.08 1qbg h LEU 91 Ca 0.06 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.24 1qbg h LEU 91 Cb 0.51 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 1qbg h LEU 91 CO 0.02 -0.12 0.61 -0.33 0.09 0.00 0.00 178.44 178.72 1qbg h GLU 92 N -0.16 0.68 0.00 1.13 5.08 -1.41 -1.04 114.58 118.86 1qbg h GLU 92 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1qbg h GLU 92 Cb 0.17 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1qbg h GLU 92 CO -0.05 0.45 -0.58 0.00 -1.00 0.00 0.00 179.01 177.83 1qbg h ALA 93 N 1.63 0.67 -2.75 3.43 0.00 -1.36 -3.47 119.26 117.41 1qbg h ALA 93 Ca 0.56 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.97 1qbg h ALA 93 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1qbg h ALA 93 CO -0.33 0.00 0.38 0.00 0.00 0.00 0.00 179.25 179.29 1qbg s ALA 94 N -3.24 3.35 -0.24 0.00 0.00 -0.40 -4.75 121.76 116.48 1qbg s ALA 94 Ca 0.04 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 1qbg s ALA 94 Cb 0.10 -3.24 -0.18 0.00 0.00 0.00 0.00 23.12 19.80 1qbg s ALA 94 CO 0.72 0.12 -0.14 -0.25 0.00 0.00 0.00 175.76 176.21 1qbg n ASP 95 N 1.49 2.00 -4.25 0.00 8.00 0.31 -4.92 116.55 119.18 1qbg n ASP 95 Ca -0.02 -0.05 -0.31 0.00 0.71 0.00 0.00 54.79 55.13 1qbg n ASP 95 Cb 0.47 -0.52 -0.16 0.00 -0.02 0.00 0.00 41.12 40.89 1qbg n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1qbg s LEU 96 N -6.68 2.06 -0.18 0.64 2.96 -1.02 -1.78 118.68 114.67 1qbg s LEU 96 Ca -0.33 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.09 1qbg s LEU 96 Cb 0.09 -1.34 0.03 0.00 0.50 0.00 0.00 46.19 45.47 1qbg s LEU 96 CO 0.62 0.23 -0.14 -0.69 -1.32 0.00 0.00 176.35 175.05 1qbg s VAL 97 N -0.11 1.78 -0.18 1.68 1.01 0.13 -1.05 120.40 123.66 1qbg s VAL 97 Ca -0.05 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1qbg s VAL 97 Cb -0.14 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1qbg s VAL 97 CO 0.04 0.34 0.05 -0.63 0.00 0.00 0.00 175.10 174.90 1qbg s ILE 98 N 1.37 4.72 -0.37 2.22 1.01 0.03 -1.41 121.20 128.77 1qbg s ILE 98 Ca 0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.56 1qbg s ILE 98 Cb -0.15 -3.12 0.07 0.00 0.01 0.00 0.00 42.46 39.28 1qbg s ILE 98 CO -0.10 0.47 0.14 -0.36 0.00 0.00 0.00 174.94 175.10 1qbg s PHE 99 N 0.29 3.38 -0.29 3.97 0.08 -0.28 -0.57 117.98 124.56 1qbg s PHE 99 Ca 0.03 -1.86 -0.10 0.00 0.12 0.00 0.00 56.93 55.12 1qbg s PHE 99 Cb -0.12 -2.68 -0.03 0.00 -0.57 0.00 0.00 43.02 39.62 1qbg s PHE 99 CO 0.00 -0.85 0.16 -1.14 -0.10 0.00 0.00 175.22 173.30 1qbg s GLN 100 N 1.29 3.73 -0.01 0.44 2.00 -0.35 -0.53 119.66 126.23 1qbg s GLN 100 Ca 0.01 -0.46 -0.28 0.00 -2.00 0.00 0.00 55.36 52.64 1qbg s GLN 100 Cb -0.21 -3.59 0.10 0.00 0.80 0.00 0.00 33.01 30.10 1qbg s GLN 100 CO -0.00 -0.25 0.83 -0.59 -0.50 0.00 0.00 175.29 174.78 1qbg s PHE 101 N 1.70 -0.42 0.07 1.67 -0.71 -0.91 -1.56 117.98 117.81 1qbg s PHE 101 Ca 0.06 0.42 -0.18 0.00 -1.04 0.00 0.00 56.93 56.20 1qbg s PHE 101 Cb -0.16 0.51 -0.07 0.00 -1.21 0.00 0.00 43.02 42.09 1qbg s PHE 101 CO 0.09 -0.57 0.54 -1.25 -1.34 0.00 0.00 175.22 172.69 1qbg s PRO 102 N -2.62 4.14 0.10 1.99 0.04 -1.26 -2.97 135.00 134.43 1qbg s PRO 102 Ca 0.01 0.67 -0.31 0.00 0.04 0.00 0.00 61.00 61.41 1qbg s PRO 102 Cb -0.01 -3.22 -0.11 0.00 0.04 0.00 0.00 34.50 31.21 1qbg s PRO 102 CO -0.05 0.64 1.86 -0.11 0.04 0.00 0.00 177.00 179.38 1qbg n LEU 103 N 1.68 4.01 -3.87 -3.56 7.94 0.73 -4.56 117.00 119.37 1qbg n LEU 103 Ca -0.11 0.97 -0.29 0.00 -1.11 0.00 0.00 56.01 55.48 1qbg n LEU 103 Cb 0.51 -1.53 -0.16 0.00 0.53 0.00 0.00 43.42 42.77 1qbg n LEU 103 CO 0.41 0.16 -0.41 -1.10 -1.11 0.00 0.00 177.39 175.34 1qbg s GLN 104 N 3.08 1.30 -1.18 1.96 -0.21 -0.52 -4.81 119.66 119.29 1qbg s GLN 104 Ca 0.84 -0.68 -0.09 0.00 0.02 0.00 0.00 55.36 55.45 1qbg s GLN 104 Cb -0.49 -2.26 -0.02 0.00 1.00 0.00 0.00 33.01 31.24 1qbg s GLN 104 CO 0.39 -0.55 0.80 0.91 -2.12 0.00 0.00 175.29 174.72 1qbg n TRP 105 N 4.84 -2.07 -3.74 0.91 7.02 -1.26 -1.97 117.44 121.17 1qbg n TRP 105 Ca -0.11 0.71 -0.29 0.00 -1.02 0.00 0.00 57.50 56.80 1qbg n TRP 105 Cb 0.46 -4.02 -0.01 0.00 -2.42 0.00 0.00 31.31 25.33 1qbg n TRP 105 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1qbg n PHE 106 N -3.96 -1.87 -2.69 -5.99 3.01 -1.26 -4.85 117.46 99.84 1qbg n PHE 106 Ca -0.17 0.66 0.00 0.00 1.01 0.00 0.00 57.45 58.95 1qbg n PHE 106 Cb 0.63 -3.13 0.00 0.00 -0.01 0.00 0.00 39.48 36.97 1qbg n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qbg n GLY 107 N -1.34 1.98 3.85 1.37 0.00 -0.83 -4.99 105.19 105.23 1qbg n GLY 107 Ca 0.03 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1qbg n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qbg s VAL 108 N -2.68 4.88 0.48 1.61 1.01 -1.26 -1.43 120.40 123.00 1qbg s VAL 108 Ca 0.00 0.72 -0.24 0.00 0.00 0.00 0.00 61.98 62.47 1qbg s VAL 108 Cb 0.00 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 1qbg s VAL 108 CO 0.00 0.16 1.32 -2.65 0.00 0.00 0.00 175.10 173.93 1qbg n PRO 109 N 0.54 1.89 -0.34 2.72 -0.02 -1.26 -4.70 135.00 133.83 1qbg n PRO 109 Ca -0.04 0.68 0.20 0.00 -2.02 0.00 0.00 63.50 62.33 1qbg n PRO 109 Cb 0.52 -2.50 0.44 0.00 -0.02 0.00 0.00 33.50 31.94 1qbg n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qbg h ALA 110 N 1.86 1.97 0.00 3.55 0.00 -1.96 1.00 119.26 125.68 1qbg h ALA 110 Ca -0.50 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1qbg h ALA 110 Cb 1.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1qbg h ALA 110 CO 0.59 -0.44 -0.38 0.97 0.00 0.00 0.00 179.25 180.00 1qbg h ILE 111 N 0.49 1.07 0.16 0.00 2.10 -1.97 -1.44 117.51 117.92 1qbg h ILE 111 Ca 0.64 -1.39 -0.31 0.00 1.08 0.00 0.00 64.86 64.88 1qbg h ILE 111 Cb 1.38 1.79 0.01 0.00 -1.09 0.00 0.00 36.82 38.91 1qbg h ILE 111 CO -0.42 0.37 -1.47 0.25 -1.08 0.00 0.00 178.15 175.80 1qbg h LEU 112 N 0.00 0.52 -0.88 2.19 6.46 -1.22 -3.02 115.31 119.37 1qbg h LEU 112 Ca -0.00 -0.64 -0.05 0.00 -0.12 0.00 0.00 57.88 57.07 1qbg h LEU 112 Cb 0.76 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.49 1qbg h LEU 112 CO 0.05 1.52 0.27 0.50 -0.62 0.00 0.00 178.44 180.15 1qbg h LYS 113 N 0.09 1.09 0.00 1.25 1.63 -0.99 -1.24 116.57 118.40 1qbg h LYS 113 Ca -0.23 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1qbg h LYS 113 Cb 2.05 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.50 1qbg h LYS 113 CO 0.20 0.90 0.00 0.78 -3.45 0.00 0.00 179.45 177.88 1qbg h GLY 114 N 1.11 0.00 1.05 5.01 0.00 -1.33 -2.20 103.07 106.71 1qbg h GLY 114 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.38 1qbg h GLY 114 CO -0.02 0.00 -0.70 -0.25 0.00 0.00 0.00 176.54 175.57 1qbg h TRP 115 N 0.00 0.92 -0.18 5.60 7.01 -1.10 -2.37 115.95 125.83 1qbg h TRP 115 Ca 0.00 -0.42 -0.02 0.00 2.11 0.00 0.00 58.89 60.56 1qbg h TRP 115 Cb 0.55 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1qbg h TRP 115 CO 0.00 1.24 0.04 0.74 -2.79 0.00 0.00 178.44 177.66 1qbg h PHE 116 N 0.34 0.31 0.00 2.65 0.04 -1.12 -0.58 116.94 118.56 1qbg h PHE 116 Ca -0.06 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 1qbg h PHE 116 Cb 1.34 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 39.41 1qbg h PHE 116 CO 0.10 0.43 -0.08 0.93 -0.60 0.00 0.00 178.31 179.09 1qbg h GLU 117 N 0.09 0.00 0.00 1.51 5.08 -1.42 -0.83 114.58 119.02 1qbg h GLU 117 Ca 0.06 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.04 1qbg h GLU 117 Cb 0.28 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 1qbg h GLU 117 CO 0.00 0.08 -2.37 0.54 -1.00 0.00 0.00 179.01 176.25 1qbg n ARG 118 N -4.09 0.68 0.02 2.33 1.74 -0.89 -4.62 116.66 111.83 1qbg n ARG 118 Ca -0.03 0.05 -0.16 0.00 -0.77 0.00 0.00 57.85 56.95 1qbg n ARG 118 Cb 0.16 -1.54 -0.14 0.00 -1.02 0.00 0.00 32.46 29.93 1qbg n ARG 118 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1qbg h VAL 119 N 0.00 0.90 -1.21 1.55 2.07 -1.09 -3.41 116.25 115.07 1qbg h VAL 119 Ca -0.54 -2.64 -0.71 0.00 0.82 0.00 0.00 66.70 63.63 1qbg h VAL 119 Cb 2.15 2.58 -0.11 0.00 -1.52 0.00 0.00 31.29 34.39 1qbg h VAL 119 CO 0.00 0.75 2.05 0.49 0.02 0.00 0.00 177.57 180.87 1qbg n PHE 120 N -3.34 4.46 -3.30 1.57 3.01 -0.32 -4.84 117.46 114.70 1qbg n PHE 120 Ca -0.21 -3.02 -0.32 0.00 1.01 0.00 0.00 57.45 54.91 1qbg n PHE 120 Cb 1.05 -2.42 -0.06 0.00 -0.01 0.00 0.00 39.48 38.04 1qbg n PHE 120 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1qbg s ILE 121 N 2.89 4.83 0.74 4.37 -1.09 -1.26 -4.82 121.20 126.85 1qbg s ILE 121 Ca 0.48 0.66 -0.15 0.00 -2.23 0.00 0.00 60.65 59.41 1qbg s ILE 121 Cb 0.04 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.31 1qbg s ILE 121 CO 0.03 -0.13 0.93 0.61 -1.23 0.00 0.00 174.94 175.15 1qbg n GLY 122 N -0.25 -0.55 4.30 6.18 0.00 -1.26 -0.99 105.19 112.61 1qbg n GLY 122 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1qbg n GLY 122 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qbg n GLU 123 N -1.93 0.00 -0.12 1.61 -0.58 0.57 -4.57 120.64 115.63 1qbg n GLU 123 Ca 0.12 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.63 1qbg n GLU 123 Cb 0.50 -1.08 -0.09 0.00 -0.57 0.00 0.00 31.44 30.20 1qbg n GLU 123 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1qbg n PHE 124 N -0.70 0.28 0.76 -0.32 7.35 -0.75 -4.68 117.46 119.40 1qbg n PHE 124 Ca 0.00 0.12 0.09 0.00 -0.76 0.00 0.00 57.45 56.90 1qbg n PHE 124 Cb 0.00 -0.92 -0.11 0.00 0.35 0.00 0.00 39.48 38.80 1qbg n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1qbg n ALA 125 N -4.07 4.19 -3.67 3.13 0.00 -0.16 -4.86 120.51 115.07 1qbg n ALA 125 Ca -0.40 -0.50 -0.04 0.00 0.00 0.00 0.00 53.44 52.49 1qbg n ALA 125 Cb 0.74 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 19.52 1qbg n ALA 125 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1qbg s TYR 126 N -2.76 -0.18 -0.24 0.00 1.13 -1.26 -4.42 117.35 109.62 1qbg s TYR 126 Ca 0.05 -0.06 -0.22 0.00 -1.41 0.00 0.00 57.07 55.43 1qbg s TYR 126 Cb 0.13 0.60 0.06 0.00 -1.10 0.00 0.00 41.96 41.66 1qbg s TYR 126 CO 0.74 -0.69 0.65 0.95 -2.51 0.00 0.00 175.55 174.69 1qbg s THR 127 N -3.15 -0.00 -2.00 -3.49 -4.23 -1.26 -0.31 115.64 101.20 1qbg s THR 127 Ca 0.10 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.65 1qbg s THR 127 Cb -0.01 -0.91 0.11 0.00 1.34 0.00 0.00 72.50 73.04 1qbg s THR 127 CO -0.01 0.00 1.04 -1.22 -0.54 0.00 0.00 174.62 173.89 1qbg n TYR 128 N 2.75 0.00 0.36 3.99 4.01 -1.26 -1.83 117.16 125.18 1qbg n TYR 128 Ca -0.14 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.64 1qbg n TYR 128 Cb 0.56 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.60 1qbg n TYR 128 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qbg n ALA 129 N -0.57 2.61 -2.80 -0.72 0.00 -1.26 -4.71 120.51 113.06 1qbg n ALA 129 Ca 0.03 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 1qbg n ALA 129 Cb 0.01 -0.29 0.04 0.00 0.00 0.00 0.00 19.45 19.22 1qbg n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qbg n ALA 130 N 0.07 -0.84 -1.98 0.00 0.00 -0.76 -5.10 120.51 111.90 1qbg n ALA 130 Ca 0.04 -1.65 -0.30 0.00 0.00 0.00 0.00 53.44 51.53 1qbg n ALA 130 Cb 0.19 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.41 1qbg n ALA 130 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1qbg s MET 131 N 0.35 3.51 1.46 0.00 1.00 -1.13 -3.05 119.30 121.43 1qbg s MET 131 Ca 0.30 0.57 0.00 0.00 0.00 0.00 0.00 55.69 56.56 1qbg s MET 131 Cb 0.24 -2.16 0.00 0.00 0.00 0.00 0.00 34.83 32.91 1qbg s MET 131 CO -0.19 -0.52 0.00 0.66 0.00 0.00 0.00 175.02 174.97 1qbg n TYR 132 N -2.64 0.00 0.19 -0.03 4.01 -0.78 -1.72 117.16 116.18 1qbg n TYR 132 Ca 0.05 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.85 1qbg n TYR 132 Cb 0.55 0.00 0.34 0.00 -0.31 0.00 0.00 39.34 39.91 1qbg n TYR 132 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1qbg h ASP 133 N 0.00 0.00 -0.45 7.72 2.03 -1.87 0.81 116.42 124.65 1qbg h ASP 133 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1qbg h ASP 133 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1qbg h ASP 133 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 1qbg n LYS 134 N -2.10 3.55 -1.64 4.15 5.02 -0.70 -4.84 118.16 121.60 1qbg n LYS 134 Ca -0.01 -2.80 -0.29 0.00 -2.02 0.00 0.00 58.31 53.20 1qbg n LYS 134 Cb 0.42 -1.85 0.13 0.00 -0.02 0.00 0.00 35.03 33.70 1qbg n LYS 134 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1qbg s GLY 135 N -1.26 1.59 0.39 0.72 0.00 0.28 -4.51 107.32 104.54 1qbg s GLY 135 Ca 0.44 -0.61 0.06 0.00 0.00 0.00 0.00 44.72 44.62 1qbg s GLY 135 CO 0.16 -0.05 2.04 -2.55 0.00 0.00 0.00 173.10 172.70 1qbg h PRO 136 N -1.42 0.62 -0.69 2.90 0.11 -1.74 -2.65 132.00 129.13 1qbg h PRO 136 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1qbg h PRO 136 Cb 1.33 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1qbg h PRO 136 CO 0.61 0.41 0.00 1.19 -0.21 0.00 0.00 178.00 180.00 1qbg n PHE 137 N -4.47 1.07 0.26 0.65 3.72 -0.50 -4.44 117.46 113.75 1qbg n PHE 137 Ca 0.05 -0.39 0.14 0.00 -0.05 0.00 0.00 57.45 57.20 1qbg n PHE 137 Cb 0.07 -0.27 0.75 0.00 -0.94 0.00 0.00 39.48 39.09 1qbg n PHE 137 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1qbg h ARG 138 N 2.33 0.00 -0.36 -1.08 0.11 -1.35 0.15 114.38 114.18 1qbg h ARG 138 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1qbg h ARG 138 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1qbg h ARG 138 CO 0.23 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 179.17 1qbg n SER 139 N -2.59 3.30 -4.72 0.08 3.41 -1.26 -4.75 113.62 107.09 1qbg n SER 139 Ca -0.02 -1.97 -0.23 0.00 -0.26 0.00 0.00 58.87 56.39 1qbg n SER 139 Cb 0.22 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1qbg n SER 139 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1qbg s LYS 140 N -1.54 2.45 -0.05 4.33 1.02 0.51 -4.99 119.74 121.47 1qbg s LYS 140 Ca 0.38 -1.39 0.04 0.00 0.02 0.00 0.00 55.97 55.02 1qbg s LYS 140 Cb 0.22 -2.25 -0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1qbg s LYS 140 CO 0.31 0.27 -0.17 0.15 -0.92 0.00 0.00 175.35 174.99 1qbg s LYS 141 N -3.78 1.82 0.04 1.68 1.02 -0.73 -1.13 119.74 118.66 1qbg s LYS 141 Ca 0.34 -0.60 0.08 0.00 0.02 0.00 0.00 55.97 55.81 1qbg s LYS 141 Cb -0.05 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 1qbg s LYS 141 CO 0.22 0.22 -0.24 0.00 -0.92 0.00 0.00 175.35 174.64 1qbg s ALA 142 N 0.09 2.01 -0.01 5.17 0.00 -0.88 -0.69 121.76 127.45 1qbg s ALA 142 Ca -0.05 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.77 1qbg s ALA 142 Cb -0.12 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 1qbg s ALA 142 CO 0.03 0.47 -0.06 0.08 0.00 0.00 0.00 175.76 176.27 1qbg s VAL 143 N -0.79 0.47 -0.22 0.00 1.01 -0.50 -1.41 120.40 118.96 1qbg s VAL 143 Ca 0.10 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 1qbg s VAL 143 Cb -0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1qbg s VAL 143 CO 0.02 0.13 0.06 -0.76 0.00 0.00 0.00 175.10 174.55 1qbg s LEU 144 N -0.11 3.52 -0.33 3.92 1.43 -1.26 -1.13 118.68 124.72 1qbg s LEU 144 Ca 0.02 -0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1qbg s LEU 144 Cb -0.03 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.31 1qbg s LEU 144 CO -0.00 0.05 0.09 -0.55 0.23 0.00 0.00 176.35 176.17 1qbg s SER 145 N 1.13 5.26 0.13 2.29 0.15 0.31 -0.05 113.70 122.92 1qbg s SER 145 Ca 0.04 -1.11 0.10 0.00 0.70 0.00 0.00 55.95 55.68 1qbg s SER 145 Cb -0.14 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 1qbg s SER 145 CO 0.03 -0.31 -0.22 -0.63 1.20 0.00 0.00 173.24 173.31 1qbg s ILE 146 N 1.40 2.57 0.07 6.45 1.01 0.51 -2.15 121.20 131.05 1qbg s ILE 146 Ca -0.02 -1.67 0.07 0.00 0.00 0.00 0.00 60.65 59.04 1qbg s ILE 146 Cb -0.19 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1qbg s ILE 146 CO 0.02 0.06 -0.20 0.42 0.00 0.00 0.00 174.94 175.25 1qbg s THR 147 N -1.19 1.60 0.18 2.92 -4.23 -1.16 -0.47 115.64 113.30 1qbg s THR 147 Ca 0.17 -1.31 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 1qbg s THR 147 Cb -0.10 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 1qbg s THR 147 CO 0.09 0.06 0.05 0.42 -0.54 0.00 0.00 174.62 174.70 1qbg s THR 148 N -0.96 0.41 -0.13 3.99 -4.23 -0.08 -0.19 115.64 114.45 1qbg s THR 148 Ca 0.06 -1.97 0.13 0.00 -1.18 0.00 0.00 61.69 58.73 1qbg s THR 148 Cb -0.09 -2.26 -0.24 0.00 1.34 0.00 0.00 72.50 71.25 1qbg s THR 148 CO 0.03 -0.31 0.33 0.61 -0.54 0.00 0.00 174.62 174.73 1qbg n GLY 149 N -0.25 -0.93 3.89 3.99 0.00 -1.26 -2.28 105.19 108.35 1qbg n GLY 149 Ca -0.04 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1qbg n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qbg s GLY 150 N -5.40 1.60 0.76 -0.02 0.00 -1.26 -4.15 107.32 98.85 1qbg s GLY 150 Ca -0.10 -0.34 -0.12 0.00 0.00 0.00 0.00 44.72 44.16 1qbg s GLY 150 CO 0.81 -0.14 1.13 -1.35 0.00 0.00 0.00 173.10 173.55 1qbg s SER 151 N -4.02 4.96 0.26 1.64 1.04 -1.26 -1.36 113.70 114.96 1qbg s SER 151 Ca 0.50 1.01 -0.03 0.00 0.48 0.00 0.00 55.95 57.91 1qbg s SER 151 Cb -0.10 -1.68 0.34 0.00 0.10 0.00 0.00 66.02 64.67 1qbg s SER 151 CO 0.46 -1.64 1.81 1.23 0.98 0.00 0.00 173.24 176.08 1qbg h GLY 152 N -0.87 1.00 1.66 7.32 0.00 -1.97 -2.50 103.07 107.71 1qbg h GLY 152 Ca -0.46 -0.57 0.05 0.00 0.00 0.00 0.00 47.33 46.35 1qbg h GLY 152 CO 0.64 0.53 0.12 1.48 0.00 0.00 0.00 176.54 179.32 1qbg h SER 153 N 0.90 0.00 0.65 0.19 4.64 -1.98 0.36 113.55 118.32 1qbg h SER 153 Ca 0.20 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 1qbg h SER 153 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1qbg h SER 153 CO -0.01 0.00 -0.34 0.24 -0.87 0.00 0.00 176.83 175.86 1qbg h MET 154 N 0.00 0.00 -0.58 4.77 2.07 -1.82 -2.92 114.93 116.45 1qbg h MET 154 Ca 0.08 0.00 -0.19 0.00 -2.07 0.00 0.00 59.70 57.52 1qbg h MET 154 Cb 0.32 0.00 -0.11 0.00 -1.87 0.00 0.00 31.60 29.94 1qbg h MET 154 CO -0.00 0.34 0.18 0.66 1.07 0.00 0.00 176.91 179.15 1qbg n TYR 155 N -3.68 1.90 -2.71 -0.22 4.01 0.09 -1.91 117.16 114.65 1qbg n TYR 155 Ca -0.01 -1.28 -0.21 0.00 -0.16 0.00 0.00 57.90 56.24 1qbg n TYR 155 Cb 0.44 -0.59 0.05 0.00 -0.31 0.00 0.00 39.34 38.93 1qbg n TYR 155 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1qbg s SER 156 N -1.58 5.15 0.54 7.72 1.04 -1.06 -2.63 113.70 122.87 1qbg s SER 156 Ca 0.50 -0.20 0.26 0.00 0.48 0.00 0.00 55.95 57.00 1qbg s SER 156 Cb 0.42 -0.59 1.43 0.00 0.10 0.00 0.00 66.02 67.37 1qbg s SER 156 CO 0.09 -1.23 1.98 -0.07 0.98 0.00 0.00 173.24 174.99 1qbg h LEU 157 N 0.05 0.00 -2.57 2.42 3.38 -1.88 0.87 115.31 117.58 1qbg h LEU 157 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1qbg h LEU 157 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1qbg h LEU 157 CO 0.48 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.01 1qbg n GLN 158 N -4.28 2.44 -2.39 1.13 0.00 -1.26 -4.71 117.38 108.31 1qbg n GLN 158 Ca 0.10 -2.04 -0.34 0.00 0.00 0.00 0.00 57.00 54.72 1qbg n GLN 158 Cb 0.63 -1.34 -0.02 0.00 0.00 0.00 0.00 30.24 29.51 1qbg n GLN 158 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1qbg s GLY 159 N -1.05 2.42 0.49 2.61 0.00 0.30 -4.94 107.32 107.16 1qbg s GLY 159 Ca 0.28 0.57 0.20 0.00 0.00 0.00 0.00 44.72 45.77 1qbg s GLY 159 CO 0.20 0.89 1.99 1.19 0.00 0.00 0.00 173.10 177.38 1qbg h ILE 160 N 1.24 0.81 0.00 0.90 6.09 -1.80 -1.72 117.51 123.03 1qbg h ILE 160 Ca -0.49 -0.06 -0.04 0.00 -1.37 0.00 0.00 64.86 62.90 1qbg h ILE 160 Cb 1.22 0.62 -0.01 0.00 0.47 0.00 0.00 36.82 39.13 1qbg h ILE 160 CO 0.58 0.03 -0.82 0.45 -3.07 0.00 0.00 178.15 175.33 1qbg h HIS 161 N 0.17 0.00 0.00 2.19 3.86 -1.72 -3.51 115.15 116.14 1qbg h HIS 161 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1qbg h HIS 161 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 1qbg h HIS 161 CO -0.00 0.16 0.00 0.41 0.86 0.00 0.00 177.93 179.36 1qbg n GLY 162 N 1.21 0.49 3.69 2.45 0.00 -0.65 -4.97 105.19 107.41 1qbg n GLY 162 Ca -0.01 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1qbg n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qbg s ASP 163 N -0.13 6.44 0.52 1.61 2.15 -1.24 -3.83 116.67 122.17 1qbg s ASP 163 Ca 0.00 2.73 0.29 0.00 0.43 0.00 0.00 52.55 56.00 1qbg s ASP 163 Cb 0.00 -2.56 1.38 0.00 -0.30 0.00 0.00 42.92 41.44 1qbg s ASP 163 CO 0.00 -1.01 2.02 -0.03 -0.17 0.00 0.00 175.17 175.98 1qbg h MET 164 N 8.82 0.00 -0.25 4.34 1.85 -1.82 -2.66 114.93 125.21 1qbg h MET 164 Ca -0.46 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 58.62 1qbg h MET 164 Cb 1.22 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.24 1qbg h MET 164 CO 0.95 0.12 0.09 -0.91 -0.40 0.00 0.00 176.91 176.76 1qbg h ASN 165 N 0.00 0.30 0.25 1.39 2.35 -1.90 -1.39 115.58 116.58 1qbg h ASN 165 Ca -0.00 -0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 55.54 1qbg h ASN 165 Cb 0.45 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1qbg h ASN 165 CO 0.02 0.28 -0.75 0.58 -1.65 0.00 0.00 177.43 175.91 1qbg h VAL 166 N 0.34 1.38 -0.23 2.81 2.07 -1.87 -2.59 116.25 118.16 1qbg h VAL 166 Ca 0.09 -2.17 -0.17 0.00 0.82 0.00 0.00 66.70 65.26 1qbg h VAL 166 Cb 0.08 2.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1qbg h VAL 166 CO -0.01 0.65 -0.55 0.40 0.02 0.00 0.00 177.57 178.08 1qbg h ILE 167 N 0.28 1.30 0.00 4.57 2.04 -1.47 -3.16 117.51 121.06 1qbg h ILE 167 Ca -0.04 -1.77 -0.07 0.00 1.00 0.00 0.00 64.86 63.98 1qbg h ILE 167 Cb 1.34 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1qbg h ILE 167 CO 0.13 0.56 -0.36 -0.07 0.00 0.00 0.00 178.15 178.42 1qbg h LEU 168 N 0.54 0.00 -0.20 1.44 3.38 -1.30 -3.37 115.31 115.80 1qbg h LEU 168 Ca 0.01 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1qbg h LEU 168 Cb 1.13 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1qbg h LEU 168 CO 0.11 0.36 -0.37 -0.25 0.09 0.00 0.00 178.44 178.37 1qbg h TRP 169 N 0.00 -1.06 -0.24 1.13 2.91 -1.42 -0.72 115.95 116.55 1qbg h TRP 169 Ca -0.00 0.05 0.07 0.00 1.13 0.00 0.00 58.89 60.14 1qbg h TRP 169 Cb 1.06 0.49 -0.01 0.00 -0.51 0.00 0.00 29.16 30.20 1qbg h TRP 169 CO 0.00 -0.43 0.20 -1.35 -1.03 0.00 0.00 178.44 175.83 1qbg h PRO 170 N -0.41 0.00 0.00 2.65 0.11 -1.74 -0.61 132.00 132.01 1qbg h PRO 170 Ca 0.10 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 1qbg h PRO 170 Cb 0.58 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1qbg h PRO 170 CO -0.42 0.00 -0.53 0.82 -0.21 0.00 0.00 178.00 177.65 1qbg h ILE 171 N 0.00 0.53 0.00 4.15 2.04 -1.67 -2.96 117.51 119.60 1qbg h ILE 171 Ca 0.12 -1.53 -0.05 0.00 1.00 0.00 0.00 64.86 64.39 1qbg h ILE 171 Cb 0.51 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1qbg h ILE 171 CO -0.00 0.18 -0.25 1.56 0.00 0.00 0.00 178.15 179.64 1qbg h GLN 172 N -1.00 0.00 0.00 2.37 4.20 -1.12 -1.81 115.11 117.75 1qbg h GLN 172 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1qbg h GLN 172 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1qbg h GLN 172 CO -0.06 0.25 -0.79 0.45 -0.67 0.00 0.00 178.83 178.00 1qbg n SER 173 N -4.24 1.57 0.11 1.46 2.88 -0.24 -1.87 113.62 113.30 1qbg n SER 173 Ca -0.02 0.27 0.06 0.00 -1.33 0.00 0.00 58.87 57.84 1qbg n SER 173 Cb 0.30 -0.68 0.52 0.00 -0.75 0.00 0.00 64.21 63.60 1qbg n SER 173 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1qbg h GLY 174 N -0.79 0.32 0.00 0.46 0.00 -1.56 -0.27 103.07 101.23 1qbg h GLY 174 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1qbg h GLY 174 CO 0.00 0.11 -0.64 1.39 0.00 0.00 0.00 176.54 177.41 1qbg n ILE 175 N -4.50 1.01 0.37 2.60 5.41 -1.05 -4.36 119.36 118.83 1qbg n ILE 175 Ca 0.01 0.26 -0.15 0.00 1.00 0.00 0.00 62.75 63.87 1qbg n ILE 175 Cb 0.09 -2.04 -0.07 0.00 -0.71 0.00 0.00 39.64 36.91 1qbg n ILE 175 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1qbg h LEU 176 N -0.64 -0.82 -1.14 1.39 3.38 -1.48 -3.23 115.31 112.77 1qbg h LEU 176 Ca 0.00 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1qbg h LEU 176 Cb 0.64 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1qbg h LEU 176 CO 0.00 -0.44 -0.41 -0.74 0.09 0.00 0.00 178.44 176.94 1qbg h HIS 177 N -1.24 0.00 -0.10 1.13 2.76 -1.32 -2.49 115.15 113.88 1qbg h HIS 177 Ca -0.10 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.10 1qbg h HIS 177 Cb 0.74 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.69 1qbg h HIS 177 CO 0.00 0.41 0.08 0.35 -1.30 0.00 0.00 177.93 177.47 1qbg h PHE 178 N 0.00 0.00 -0.01 5.26 3.04 -1.13 0.10 116.94 124.21 1qbg h PHE 178 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1qbg h PHE 178 Cb 0.77 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.28 1qbg h PHE 178 CO 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 178.31 176.14 1qbg n GLY 180 N 1.27 1.52 3.45 0.00 0.00 0.35 -1.41 105.19 110.37 1qbg n GLY 180 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1qbg n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qbg n PHE 181 N -1.24 -0.93 -3.45 1.61 3.72 -0.97 -2.94 117.46 113.26 1qbg n PHE 181 Ca 0.00 0.41 -0.43 0.00 -0.05 0.00 0.00 57.45 57.38 1qbg n PHE 181 Cb 0.00 -1.92 -0.06 0.00 -0.94 0.00 0.00 39.48 36.56 1qbg n PHE 181 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1qbg s GLN 182 N -2.17 3.00 -0.04 -1.08 -0.21 -0.29 -4.38 119.66 114.50 1qbg s GLN 182 Ca 0.67 -2.15 -0.30 0.00 0.02 0.00 0.00 55.36 53.60 1qbg s GLN 182 Cb -0.42 -4.15 -0.04 0.00 1.00 0.00 0.00 33.01 29.40 1qbg s GLN 182 CO 0.56 -1.25 1.31 0.08 -2.12 0.00 0.00 175.29 173.87 1qbg s VAL 183 N 0.71 3.99 0.45 1.09 1.01 -1.26 -2.08 120.40 124.31 1qbg s VAL 183 Ca 0.12 1.33 0.05 0.00 0.00 0.00 0.00 61.98 63.47 1qbg s VAL 183 Cb -0.20 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1qbg s VAL 183 CO -0.03 -0.02 0.62 -0.76 0.00 0.00 0.00 175.10 174.91 1qbg s LEU 184 N 2.52 3.60 0.15 3.92 1.43 -0.50 -0.35 118.68 129.45 1qbg s LEU 184 Ca 0.60 -0.17 -0.34 0.00 -1.03 0.00 0.00 54.13 53.19 1qbg s LEU 184 Cb -0.28 -2.80 -0.15 0.00 0.03 0.00 0.00 46.19 42.99 1qbg s LEU 184 CO 0.23 -0.81 1.45 -0.62 0.23 0.00 0.00 176.35 176.84 1qbg n GLU 185 N -1.99 1.74 -2.29 1.70 1.02 -1.26 -4.65 120.64 114.92 1qbg n GLU 185 Ca 0.06 0.63 -0.41 0.00 -0.02 0.00 0.00 57.16 57.42 1qbg n GLU 185 Cb 0.59 -2.32 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 1qbg n GLU 185 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1qbg s PRO 186 N 0.51 4.49 -0.58 3.49 0.04 -1.26 -4.67 135.00 137.01 1qbg s PRO 186 Ca 0.79 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.63 1qbg s PRO 186 Cb -0.78 -3.13 0.07 0.00 0.04 0.00 0.00 34.50 30.70 1qbg s PRO 186 CO 0.43 -0.01 0.84 -1.14 0.04 0.00 0.00 177.00 177.16 1qbg s GLN 187 N -1.51 3.16 -0.21 4.56 2.00 0.92 -4.99 119.66 123.59 1qbg s GLN 187 Ca 0.47 -0.78 -0.09 0.00 -2.00 0.00 0.00 55.36 52.96 1qbg s GLN 187 Cb -0.36 -4.16 -0.05 0.00 0.80 0.00 0.00 33.01 29.25 1qbg s GLN 187 CO 0.46 -1.55 0.11 -0.51 -0.50 0.00 0.00 175.29 173.31 1qbg s LEU 188 N 3.48 4.03 -0.37 3.68 1.43 -1.26 -0.37 118.68 129.31 1qbg s LEU 188 Ca 0.21 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1qbg s LEU 188 Cb -0.17 -2.05 0.11 0.00 0.03 0.00 0.00 46.19 44.10 1qbg s LEU 188 CO 0.12 0.14 0.10 -0.89 0.23 0.00 0.00 176.35 176.05 1qbg s THR 189 N 0.59 2.09 0.54 5.49 2.01 0.38 -4.98 115.64 121.76 1qbg s THR 189 Ca 0.06 -2.37 -0.15 0.00 0.31 0.00 0.00 61.69 59.54 1qbg s THR 189 Cb -0.12 -2.53 -0.07 0.00 0.01 0.00 0.00 72.50 69.79 1qbg s THR 189 CO 0.01 -0.65 1.00 -0.31 -0.69 0.00 0.00 174.62 173.97 1qbg s TYR 190 N 0.80 3.45 -0.45 4.92 2.02 -1.26 -0.90 117.35 125.93 1qbg s TYR 190 Ca 0.12 1.44 -0.12 0.00 -0.37 0.00 0.00 57.07 58.14 1qbg s TYR 190 Cb -0.20 -2.80 0.02 0.00 -0.40 0.00 0.00 41.96 38.58 1qbg s TYR 190 CO -0.09 -0.50 0.23 -1.13 -1.57 0.00 0.00 175.55 172.49 1qbg n SER 191 N -1.85 -1.35 0.22 2.29 3.41 -0.46 -4.76 113.62 111.12 1qbg n SER 191 Ca 0.07 -0.48 0.16 0.00 -0.26 0.00 0.00 58.87 58.36 1qbg n SER 191 Cb 0.54 -0.57 0.67 0.00 -0.26 0.00 0.00 64.21 64.59 1qbg n SER 191 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1qbg h ILE 192 N 0.96 0.00 -0.00 -1.33 6.09 -1.66 -2.09 117.51 119.47 1qbg h ILE 192 Ca -0.26 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 1qbg h ILE 192 Cb 0.51 1.18 0.00 0.00 0.47 0.00 0.00 36.82 38.98 1qbg h ILE 192 CO 0.19 0.00 -0.07 0.61 -3.07 0.00 0.00 178.15 175.81 1qbg n GLY 193 N -0.20 -0.99 0.04 8.18 0.00 -1.26 -3.57 105.19 107.38 1qbg n GLY 193 Ca 0.01 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.81 1qbg n GLY 193 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qbg n HIS 194 N -1.00 0.00 -3.64 1.61 8.25 -0.79 -5.03 115.22 114.63 1qbg n HIS 194 Ca 0.16 -0.51 -0.36 0.00 -0.26 0.00 0.00 57.72 56.75 1qbg n HIS 194 Cb 0.25 -0.06 -0.07 0.00 1.12 0.00 0.00 29.99 31.23 1qbg n HIS 194 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1qbg s THR 195 N -1.19 5.36 0.81 1.59 -4.23 -1.18 -5.07 115.64 111.72 1qbg s THR 195 Ca 0.06 0.38 -0.14 0.00 -1.18 0.00 0.00 61.69 60.81 1qbg s THR 195 Cb 0.06 -3.55 0.03 0.00 1.34 0.00 0.00 72.50 70.37 1qbg s THR 195 CO 0.01 0.43 0.79 -2.65 -0.54 0.00 0.00 174.62 172.65 1qbg n PRO 196 N 3.43 0.13 0.06 3.99 -0.02 -1.26 -4.70 135.00 136.64 1qbg n PRO 196 Ca -0.14 0.10 -0.12 0.00 -2.02 0.00 0.00 63.50 61.32 1qbg n PRO 196 Cb 0.52 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 1qbg n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qbg h ALA 197 N -0.84 -0.52 -0.93 3.55 0.00 -1.99 -0.87 119.26 117.65 1qbg h ALA 197 Ca -0.45 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 54.62 1qbg h ALA 197 Cb 1.31 0.61 -0.11 0.00 0.00 0.00 0.00 17.79 19.60 1qbg h ALA 197 CO 0.42 -0.87 0.50 0.38 0.00 0.00 0.00 179.25 179.69 1qbg h ASP 198 N -0.51 0.57 -0.48 0.00 3.04 -2.00 0.14 116.42 117.19 1qbg h ASP 198 Ca 0.06 0.12 -0.10 0.00 -3.24 0.00 0.00 57.03 53.86 1qbg h ASP 198 Cb 0.59 0.03 -0.02 0.00 -1.04 0.00 0.00 39.33 38.89 1qbg h ASP 198 CO -0.27 0.16 -0.08 0.00 -2.04 0.00 0.00 179.24 177.01 1qbg h ALA 199 N 1.65 0.89 -0.09 4.15 0.00 -1.71 -2.54 119.26 121.60 1qbg h ALA 199 Ca 0.55 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1qbg h ALA 199 Cb 0.92 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1qbg h ALA 199 CO -0.43 0.64 -0.11 0.00 0.00 0.00 0.00 179.25 179.35 1qbg h ARG 200 N 0.85 0.13 -0.32 0.00 3.08 0.61 -1.51 114.38 117.22 1qbg h ARG 200 Ca 0.14 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.02 1qbg h ARG 200 Cb 0.60 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1qbg h ARG 200 CO 0.04 0.26 -0.38 0.82 -1.07 0.00 0.00 179.97 179.63 1qbg h ILE 201 N 0.13 1.28 -0.18 2.04 1.08 -0.85 -2.77 117.51 118.24 1qbg h ILE 201 Ca 0.03 -1.56 -0.14 0.00 -0.39 0.00 0.00 64.86 62.80 1qbg h ILE 201 Cb 0.29 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 1qbg h ILE 201 CO 0.02 0.51 -0.48 1.56 -0.69 0.00 0.00 178.15 179.07 1qbg h GLN 202 N 0.63 0.48 -0.79 2.37 1.08 -1.13 -1.42 115.11 116.33 1qbg h GLN 202 Ca 0.05 -0.27 -0.04 0.00 -1.45 0.00 0.00 58.65 56.95 1qbg h GLN 202 Cb 0.94 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.35 1qbg h GLN 202 CO 0.09 0.86 0.35 0.82 -0.95 0.00 0.00 178.83 179.99 1qbg h ILE 203 N 0.38 1.25 -0.23 2.54 2.04 -1.18 0.53 117.51 122.85 1qbg h ILE 203 Ca 0.02 -0.75 -0.19 0.00 1.00 0.00 0.00 64.86 64.95 1qbg h ILE 203 Cb 0.98 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1qbg h ILE 203 CO 0.09 0.31 -0.60 -0.07 0.00 0.00 0.00 178.15 177.88 1qbg h LEU 204 N 1.14 0.85 -0.66 1.44 3.38 -1.32 -1.20 115.31 118.94 1qbg h LEU 204 Ca 0.27 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 1qbg h LEU 204 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1qbg h LEU 204 CO -0.03 1.26 -0.27 -0.33 0.09 0.00 0.00 178.44 179.16 1qbg h GLU 205 N 0.56 0.75 -0.49 1.13 4.39 -0.81 -1.69 114.58 118.43 1qbg h GLU 205 Ca -0.00 -0.32 -0.12 0.00 0.34 0.00 0.00 59.36 59.25 1qbg h GLU 205 Cb 1.20 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 1qbg h GLU 205 CO 0.13 0.94 -0.17 0.78 -1.16 0.00 0.00 179.01 179.52 1qbg h GLY 206 N 0.96 1.04 0.98 -3.84 0.00 0.15 -1.52 103.07 100.84 1qbg h GLY 206 Ca 0.08 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 1qbg h GLY 206 CO 0.06 0.80 0.18 -0.25 0.00 0.00 0.00 176.54 177.33 1qbg h TRP 207 N 0.84 0.38 -0.71 5.60 -0.00 -0.99 -1.50 115.95 119.58 1qbg h TRP 207 Ca 0.12 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.97 1qbg h TRP 207 Cb 0.73 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.16 29.73 1qbg h TRP 207 CO 0.05 0.28 0.30 0.87 -0.00 0.00 0.00 178.44 179.94 1qbg h LYS 208 N 0.38 1.05 -0.54 2.65 1.57 -1.19 -2.26 116.57 118.22 1qbg h LYS 208 Ca 0.11 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1qbg h LYS 208 Cb 0.01 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1qbg h LYS 208 CO -0.02 0.85 0.35 -0.22 -0.57 0.00 0.00 179.45 179.84 1qbg h LYS 209 N 1.00 0.72 -0.50 3.15 1.63 -0.96 -2.90 116.57 118.72 1qbg h LYS 209 Ca 0.24 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1qbg h LYS 209 Cb 0.18 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 1qbg h LYS 209 CO -0.02 0.49 0.14 -0.09 -3.45 0.00 0.00 179.45 176.52 1qbg h ARG 210 N 0.73 0.78 0.00 1.90 2.43 -1.06 -2.41 114.38 116.75 1qbg h ARG 210 Ca 0.20 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1qbg h ARG 210 Cb -0.06 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1qbg h ARG 210 CO -0.04 0.74 0.00 1.28 -1.51 0.00 0.00 179.97 180.44 1qbg n LEU 211 N -4.48 0.00 0.22 3.80 4.77 -0.87 -1.44 117.00 119.00 1qbg n LEU 211 Ca 0.01 0.48 0.11 0.00 -0.03 0.00 0.00 56.01 56.58 1qbg n LEU 211 Cb 0.20 -0.48 0.37 0.00 -2.33 0.00 0.00 43.42 41.19 1qbg n LEU 211 CO 0.39 -0.44 0.80 -0.33 -1.33 0.00 0.00 177.39 176.48 1qbg h GLU 212 N 0.00 0.00 0.00 3.23 5.08 -1.34 -3.34 114.58 118.21 1qbg h GLU 212 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1qbg h GLU 212 Cb 0.03 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.13 1qbg h GLU 212 CO 0.00 0.16 -0.71 0.09 -1.00 0.00 0.00 179.01 177.55 1qbg n ASN 213 N -3.21 0.46 -0.27 1.42 3.02 -0.52 -4.90 115.26 111.24 1qbg n ASN 213 Ca 0.02 -2.04 0.02 0.00 -0.03 0.00 0.00 54.58 52.54 1qbg n ASN 213 Cb 0.47 -0.25 0.15 0.00 -0.61 0.00 0.00 39.78 39.55 1qbg n ASN 213 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 1qbg h ILE 214 N 6.80 0.92 -0.02 2.41 -0.00 -1.59 -1.30 117.51 124.73 1qbg h ILE 214 Ca -0.09 -0.26 0.00 0.00 -0.00 0.00 0.00 64.86 64.52 1qbg h ILE 214 Cb 1.59 0.10 -0.00 0.00 -0.00 0.00 0.00 36.82 38.50 1qbg h ILE 214 CO 0.04 0.14 0.11 -0.25 -0.00 0.00 0.00 178.15 178.19 1qbg h TRP 215 N 0.75 0.00 -0.02 0.16 2.91 -1.90 0.14 115.95 117.99 1qbg h TRP 215 Ca 0.37 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.39 1qbg h TRP 215 Cb 0.32 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.97 1qbg h TRP 215 CO -0.07 0.00 -0.13 -0.25 -1.03 0.00 0.00 178.44 176.96 1qbg n ASP 216 N -3.12 2.02 -4.81 2.65 8.00 -0.49 -4.96 116.55 115.84 1qbg n ASP 216 Ca -0.02 -1.57 -0.31 0.00 0.71 0.00 0.00 54.79 53.60 1qbg n ASP 216 Cb 0.18 0.11 0.06 0.00 -0.02 0.00 0.00 41.12 41.45 1qbg n ASP 216 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1qbg s GLU 217 N -2.17 2.80 -0.07 -1.24 2.02 0.03 -5.04 118.70 115.02 1qbg s GLU 217 Ca 0.29 1.02 -0.14 0.00 0.02 0.00 0.00 54.97 56.16 1qbg s GLU 217 Cb 0.20 -1.97 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 1qbg s GLU 217 CO 0.40 -1.21 0.35 0.99 0.02 0.00 0.00 175.26 175.81 1qbg s THR 218 N -2.97 5.18 0.70 3.63 2.01 -1.26 -5.08 115.64 117.85 1qbg s THR 218 Ca 0.59 0.70 -0.11 0.00 0.31 0.00 0.00 61.69 63.18 1qbg s THR 218 Cb -0.15 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.70 1qbg s THR 218 CO 0.54 0.50 1.07 -2.16 -0.69 0.00 0.00 174.62 173.88 1qbg s PRO 219 N -0.43 2.93 1.02 4.92 0.05 -1.26 -4.57 135.00 137.67 1qbg s PRO 219 Ca 0.21 0.64 -0.12 0.00 0.05 0.00 0.00 61.00 61.78 1qbg s PRO 219 Cb -0.15 -2.01 0.20 0.00 0.05 0.00 0.00 34.50 32.59 1qbg s PRO 219 CO 0.09 -1.02 1.08 -0.51 0.05 0.00 0.00 177.00 176.69 1qbg s LEU 220 N -5.41 1.77 -0.18 -3.56 1.43 0.52 -4.12 118.68 109.14 1qbg s LEU 220 Ca 0.58 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 1qbg s LEU 220 Cb -0.12 -3.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 1qbg s LEU 220 CO 0.53 -3.48 0.17 -0.47 0.23 0.00 0.00 176.35 173.33 1qbg s TYR 221 N -2.65 3.44 0.01 0.29 5.04 -1.26 -4.88 117.35 117.34 1qbg s TYR 221 Ca 0.67 0.42 0.04 0.00 -2.44 0.00 0.00 57.07 55.75 1qbg s TYR 221 Cb -0.22 -2.18 -0.01 0.00 0.35 0.00 0.00 41.96 39.89 1qbg s TYR 221 CO 0.61 0.33 -0.11 -0.06 -1.34 0.00 0.00 175.55 174.97 1qbg s PHE 222 N 0.23 1.00 -0.04 4.97 0.08 -1.26 -4.93 117.98 118.03 1qbg s PHE 222 Ca 0.11 -0.23 -0.30 0.00 0.12 0.00 0.00 56.93 56.62 1qbg s PHE 222 Cb -0.12 -0.63 -0.09 0.00 -0.57 0.00 0.00 43.02 41.62 1qbg s PHE 222 CO 0.00 -0.01 2.02 0.00 -0.10 0.00 0.00 175.22 177.13 1qbg n ALA 223 N 2.54 1.51 -1.67 5.36 0.00 -1.26 -4.91 120.51 122.08 1qbg n ALA 223 Ca -0.15 0.13 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 1qbg n ALA 223 Cb 0.56 -2.70 0.03 0.00 0.00 0.00 0.00 19.45 17.34 1qbg n ALA 223 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1qbg n PRO 224 N 7.67 1.47 0.19 0.00 -0.02 -1.26 -4.87 135.00 138.17 1qbg n PRO 224 Ca 0.23 0.54 0.14 0.00 -2.02 0.00 0.00 63.50 62.39 1qbg n PRO 224 Cb 0.40 -2.32 0.61 0.00 -0.02 0.00 0.00 33.50 32.16 1qbg n PRO 224 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qbg h SER 225 N 1.35 0.00 0.67 2.55 4.64 -1.91 -2.66 113.55 118.18 1qbg h SER 225 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1qbg h SER 225 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1qbg h SER 225 CO 0.56 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.98 1qbg n SER 226 N -2.52 0.34 -0.56 4.97 3.41 -1.26 -2.19 113.62 115.82 1qbg n SER 226 Ca 0.01 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 1qbg n SER 226 Cb 0.21 -0.65 0.39 0.00 -0.26 0.00 0.00 64.21 63.90 1qbg n SER 226 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qbg n LEU 227 N -1.87 1.69 -4.41 1.04 4.77 -1.00 -4.89 117.00 112.32 1qbg n LEU 227 Ca 0.03 -0.69 -0.23 0.00 -0.03 0.00 0.00 56.01 55.10 1qbg n LEU 227 Cb 0.22 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.11 1qbg n LEU 227 CO 0.18 0.34 -0.48 -0.36 -1.33 0.00 0.00 177.39 175.74 1qbg s PHE 228 N -1.82 2.09 -0.66 -1.77 0.40 -0.93 0.15 117.98 115.44 1qbg s PHE 228 Ca 0.33 -0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 56.06 1qbg s PHE 228 Cb 0.18 -0.96 0.12 0.00 0.51 0.00 0.00 43.02 42.86 1qbg s PHE 228 CO 0.28 0.53 0.79 -0.51 0.70 0.00 0.00 175.22 177.00 1qbg s ASP 229 N -3.14 6.29 -0.89 1.36 1.01 0.22 -4.70 116.67 116.81 1qbg s ASP 229 Ca 0.24 -1.59 -0.25 0.00 0.71 0.00 0.00 52.55 51.66 1qbg s ASP 229 Cb -0.05 -2.32 0.03 0.00 1.01 0.00 0.00 42.92 41.60 1qbg s ASP 229 CO 0.11 -1.09 1.46 -0.76 0.21 0.00 0.00 175.17 175.10 1qbg s LEU 230 N 2.57 3.34 0.00 1.23 1.43 -1.26 -2.43 118.68 123.56 1qbg s LEU 230 Ca 0.16 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1qbg s LEU 230 Cb -0.20 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1qbg s LEU 230 CO 0.03 -1.79 0.00 -0.46 0.23 0.00 0.00 176.35 174.36 1qbg n ASN 231 N 9.75 0.00 0.23 2.29 6.94 -1.26 -4.98 115.26 128.23 1qbg n ASN 231 Ca 0.23 0.00 0.12 0.00 -0.02 0.00 0.00 54.58 54.90 1qbg n ASN 231 Cb 0.50 0.00 0.41 0.00 -2.36 0.00 0.00 39.78 38.33 1qbg n ASN 231 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1qbg h PHE 232 N 0.00 0.00 -0.25 -2.53 3.57 -1.93 0.60 116.94 116.40 1qbg h PHE 232 Ca 0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1qbg h PHE 232 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1qbg h PHE 232 CO 0.00 0.13 0.25 1.96 -2.23 0.00 0.00 178.31 178.42 1qbg h GLN 233 N 0.00 0.00 0.00 1.11 1.08 -1.95 -1.37 115.11 113.98 1qbg h GLN 233 Ca -0.00 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.90 1qbg h GLN 233 Cb 0.81 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.18 1qbg h GLN 233 CO 0.02 0.00 -2.12 0.00 -0.95 0.00 0.00 178.83 175.78 1qbg n ALA 234 N -2.40 1.59 -0.16 3.87 0.00 -1.02 -5.03 120.51 117.36 1qbg n ALA 234 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1qbg n ALA 234 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1qbg n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qbg n GLY 235 N 2.15 1.14 3.93 0.00 0.00 0.15 -4.37 105.19 108.19 1qbg n GLY 235 Ca -0.29 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 1qbg n GLY 235 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qbg n PHE 236 N -1.94 -2.02 -3.78 1.61 3.01 -0.87 -4.96 117.46 108.51 1qbg n PHE 236 Ca 0.00 0.85 -0.21 0.00 1.01 0.00 0.00 57.45 59.10 1qbg n PHE 236 Cb 0.02 -3.84 -0.03 0.00 -0.01 0.00 0.00 39.48 35.61 1qbg n PHE 236 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1qbg s LEU 237 N -7.11 3.74 0.36 4.37 1.43 -1.23 -4.73 118.68 115.50 1qbg s LEU 237 Ca 0.44 -0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 52.89 1qbg s LEU 237 Cb -0.22 -2.38 -0.12 0.00 0.03 0.00 0.00 46.19 43.50 1qbg s LEU 237 CO 0.85 -0.32 1.31 0.80 0.23 0.00 0.00 176.35 179.22 1qbg n MET 238 N -1.41 2.15 -1.86 1.70 1.56 -1.26 0.69 117.12 118.68 1qbg n MET 238 Ca -0.02 0.76 -0.42 0.00 -0.27 0.00 0.00 57.70 57.75 1qbg n MET 238 Cb 0.59 -2.37 -0.02 0.00 2.15 0.00 0.00 33.22 33.56 1qbg n MET 238 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1qbg s LYS 239 N -1.96 4.18 0.27 2.12 1.02 0.12 -4.66 119.74 120.83 1qbg s LYS 239 Ca 0.56 2.46 -0.03 0.00 0.02 0.00 0.00 55.97 58.98 1qbg s LYS 239 Cb -0.55 -3.09 0.57 0.00 -0.52 0.00 0.00 37.83 34.24 1qbg s LYS 239 CO 0.62 -0.60 1.62 0.87 -0.92 0.00 0.00 175.35 176.93 1qbg h LYS 240 N 5.85 0.09 -0.47 1.68 1.79 -1.90 0.19 116.57 123.80 1qbg h LYS 240 Ca -0.45 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.06 1qbg h LYS 240 Cb 1.21 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.80 1qbg h LYS 240 CO 0.86 0.06 0.21 1.05 -1.08 0.00 0.00 179.45 180.55 1qbg h GLU 241 N 0.09 0.41 -0.50 3.15 9.09 -1.97 -2.09 114.58 122.75 1qbg h GLU 241 Ca 0.49 -0.02 -0.06 0.00 0.05 0.00 0.00 59.36 59.81 1qbg h GLU 241 Cb 0.92 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 27.91 1qbg h GLU 241 CO -0.75 0.27 0.07 0.28 0.05 0.00 0.00 179.01 178.93 1qbg h VAL 242 N 0.43 1.23 0.30 -1.06 2.07 -1.04 -2.64 116.25 115.53 1qbg h VAL 242 Ca 0.21 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1qbg h VAL 242 Cb 0.15 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1qbg h VAL 242 CO -0.17 0.32 -0.17 1.56 0.02 0.00 0.00 177.57 179.13 1qbg h GLN 243 N 0.76 -0.43 -0.21 1.57 4.20 -0.49 -2.51 115.11 117.99 1qbg h GLN 243 Ca 0.16 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.93 1qbg h GLN 243 Cb 0.36 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1qbg h GLN 243 CO 0.01 -0.29 0.01 -0.44 -0.67 0.00 0.00 178.83 177.45 1qbg h ASP 244 N -0.45 -0.06 0.12 1.46 3.32 -1.37 -1.83 116.42 117.61 1qbg h ASP 244 Ca -0.03 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1qbg h ASP 244 Cb 0.36 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1qbg h ASP 244 CO 0.05 -0.00 0.00 1.21 -1.72 0.00 0.00 179.24 178.77 1qbg n GLU 245 N -5.13 0.14 0.03 3.56 0.00 -1.00 -1.97 120.64 116.27 1qbg n GLU 245 Ca -0.02 0.60 0.11 0.00 0.00 0.00 0.00 57.16 57.85 1qbg n GLU 245 Cb 0.11 -1.92 -0.08 0.00 0.00 0.00 0.00 31.44 29.54 1qbg n GLU 245 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1qbg n GLU 246 N -2.22 0.53 -0.22 5.31 -0.58 -0.71 -4.36 120.64 118.40 1qbg n GLU 246 Ca -0.01 -0.06 0.17 0.00 -0.42 0.00 0.00 57.16 56.84 1qbg n GLU 246 Cb 0.06 -1.62 0.49 0.00 -0.57 0.00 0.00 31.44 29.81 1qbg n GLU 246 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1qbg h LYS 247 N 0.00 0.44 -1.13 3.49 1.57 -1.20 -1.45 116.57 118.29 1qbg h LYS 247 Ca 0.00 -0.03 -0.36 0.00 -1.87 0.00 0.00 60.65 58.40 1qbg h LYS 247 Cb 0.91 -0.10 -0.19 0.00 0.08 0.00 0.00 32.23 32.94 1qbg h LYS 247 CO 0.00 0.29 0.46 0.27 -0.57 0.00 0.00 179.45 179.90 1qbg n ASN 248 N -4.51 4.61 -4.40 0.86 2.04 -1.26 -4.90 115.26 107.70 1qbg n ASN 248 Ca 0.17 -3.09 -0.30 0.00 -0.44 0.00 0.00 54.58 50.92 1qbg n ASN 248 Cb 0.60 -0.82 -0.14 0.00 -2.53 0.00 0.00 39.78 36.89 1qbg n ASN 248 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1qbg s LYS 249 N -2.17 1.82 -0.00 -3.83 3.01 -0.55 -5.05 119.74 112.97 1qbg s LYS 249 Ca 0.37 -1.11 -0.20 0.00 -1.01 0.00 0.00 55.97 54.02 1qbg s LYS 249 Cb 0.31 -2.04 -0.27 0.00 -1.01 0.00 0.00 37.83 34.81 1qbg s LYS 249 CO 0.04 0.51 1.03 -0.22 0.51 0.00 0.00 175.35 177.22 1qbg h LYS 250 N 4.49 0.42 -6.19 1.68 3.64 -1.90 -3.47 116.57 115.24 1qbg h LYS 250 Ca -0.48 -0.55 -0.51 0.00 -1.27 0.00 0.00 60.65 57.85 1qbg h LYS 250 Cb 1.15 0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 33.10 1qbg h LYS 250 CO 0.44 1.21 -0.52 -0.06 -2.27 0.00 0.00 179.45 178.25 1qbg s PHE 251 N -2.90 2.97 0.32 1.91 0.08 -1.26 -3.31 117.98 115.79 1qbg s PHE 251 Ca -0.13 -0.20 -0.04 0.00 0.12 0.00 0.00 56.93 56.68 1qbg s PHE 251 Cb 0.03 -1.50 0.07 0.00 -0.57 0.00 0.00 43.02 41.05 1qbg s PHE 251 CO 0.85 0.42 0.43 0.41 -0.10 0.00 0.00 175.22 177.23 1qbg n GLY 252 N -1.19 -0.65 0.10 4.36 0.00 0.84 -4.85 105.19 103.80 1qbg n GLY 252 Ca -0.06 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.00 1qbg n GLY 252 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qbg h LEU 253 N 0.00 0.32 0.00 0.99 3.38 -1.22 -3.41 115.31 115.36 1qbg h LEU 253 Ca -0.14 -0.95 -0.04 0.00 0.09 0.00 0.00 57.88 56.84 1qbg h LEU 253 Cb 0.42 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1qbg h LEU 253 CO 0.11 1.30 0.03 -1.54 0.09 0.00 0.00 178.44 178.43 1qbg n SER 254 N -4.26 -0.56 -0.17 -0.43 3.41 -1.14 -4.83 113.62 105.65 1qbg n SER 254 Ca -0.14 -1.51 -0.05 0.00 -0.26 0.00 0.00 58.87 56.90 1qbg n SER 254 Cb 0.73 0.97 0.04 0.00 -0.26 0.00 0.00 64.21 65.69 1qbg n SER 254 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1qbg h VAL 255 N 1.30 1.04 0.00 -3.33 2.07 -1.93 -1.69 116.25 113.70 1qbg h VAL 255 Ca -0.09 -0.20 -0.18 0.00 0.82 0.00 0.00 66.70 67.05 1qbg h VAL 255 Cb 0.36 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1qbg h VAL 255 CO 0.12 0.11 -0.95 1.23 0.02 0.00 0.00 177.57 178.10 1qbg h GLY 256 N 0.60 0.00 -5.01 2.17 0.00 -1.97 -3.32 103.07 95.54 1qbg h GLY 256 Ca 0.21 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.82 1qbg h GLY 256 CO -0.11 0.00 0.55 1.42 0.00 0.00 0.00 176.54 178.41 1qbg n HIS 257 N -3.21 3.11 0.36 5.60 -0.00 -1.05 -4.65 115.22 115.38 1qbg n HIS 257 Ca -0.02 -2.61 0.14 0.00 -0.00 0.00 0.00 57.72 55.23 1qbg n HIS 257 Cb 0.87 -0.89 0.55 0.00 -0.00 0.00 0.00 29.99 30.52 1qbg n HIS 257 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1qbg h HIS 258 N 3.01 0.00 -0.40 4.41 2.07 -1.42 0.18 115.15 122.99 1qbg h HIS 258 Ca 0.48 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.90 1qbg h HIS 258 Cb 0.29 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.23 1qbg h HIS 258 CO 1.09 0.00 -0.09 1.28 -3.07 0.00 0.00 177.93 177.14 1qbg n LEU 259 N -2.60 0.15 0.00 6.12 4.77 -1.26 -0.58 117.00 123.59 1qbg n LEU 259 Ca 0.02 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1qbg n LEU 259 Cb 0.29 -2.08 0.00 0.00 -2.33 0.00 0.00 43.42 39.30 1qbg n LEU 259 CO 0.24 -0.77 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 1qbg n GLY 260 N 0.42 0.26 0.00 -0.72 0.00 -1.26 -5.06 105.19 98.83 1qbg n GLY 260 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1qbg n GLY 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qbg n LYS 261 N -2.00 1.63 -2.40 1.61 5.02 0.25 -5.07 118.16 117.20 1qbg n LYS 261 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 1qbg n LYS 261 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1qbg n LYS 261 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1qbg s SER 262 N -1.00 6.63 -0.12 4.39 0.01 -1.21 -4.68 113.70 117.72 1qbg s SER 262 Ca 0.00 2.22 -0.22 0.00 1.31 0.00 0.00 55.95 59.26 1qbg s SER 262 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1qbg s SER 262 CO 0.00 -0.59 0.64 -0.63 0.41 0.00 0.00 173.24 173.06 1qbg s ILE 263 N -1.50 5.06 -0.13 1.44 1.01 -1.26 -0.11 121.20 125.71 1qbg s ILE 263 Ca 0.57 1.27 -0.34 0.00 0.00 0.00 0.00 60.65 62.15 1qbg s ILE 263 Cb -0.27 -3.97 -0.11 0.00 0.01 0.00 0.00 42.46 38.12 1qbg s ILE 263 CO 0.34 0.21 1.96 -2.65 0.00 0.00 0.00 174.94 174.81 1qbg n PRO 264 N 4.20 2.04 -1.60 2.79 -0.02 -1.26 -4.84 135.00 136.32 1qbg n PRO 264 Ca -0.02 0.72 -0.48 0.00 -2.02 0.00 0.00 63.50 61.69 1qbg n PRO 264 Cb 0.51 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 1qbg n PRO 264 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1qbg n THR 265 N 5.71 0.81 -3.99 3.45 -2.24 -1.26 -2.15 114.28 114.62 1qbg n THR 265 Ca 0.26 -0.20 -0.29 0.00 -2.27 0.00 0.00 64.05 61.55 1qbg n THR 265 Cb 0.31 -0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 67.56 1qbg n THR 265 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qbg n ASP 266 N 2.11 -2.06 0.16 3.42 8.00 -1.26 -4.86 116.55 122.07 1qbg n ASP 266 Ca 0.15 -0.94 0.01 0.00 0.71 0.00 0.00 54.79 54.71 1qbg n ASP 266 Cb 0.25 -3.26 0.27 0.00 -0.02 0.00 0.00 41.12 38.37 1qbg n ASP 266 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1qbg h ASN 267 N -1.80 0.00 -0.47 -2.24 -1.24 -1.68 0.22 115.58 108.38 1qbg h ASN 267 Ca -0.61 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.40 1qbg h ASN 267 Cb 1.38 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.42 1qbg h ASN 267 CO 0.67 0.49 0.00 0.00 -1.29 0.00 0.00 177.43 177.30 1qbg n GLN 268 N -3.96 3.13 0.00 6.67 1.13 -1.26 -4.35 117.38 118.74 1qbg n GLN 268 Ca -0.02 -2.53 0.00 0.00 -1.94 0.00 0.00 57.00 52.51 1qbg n GLN 268 Cb 0.50 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.25 1qbg n GLN 268 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1qbg n ILE 269 N 0.65 0.00 -4.72 5.09 5.41 -1.09 -4.60 119.36 120.10 1qbg n ILE 269 Ca 0.19 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.70 1qbg n ILE 269 Cb 0.68 -0.29 -0.16 0.00 -0.71 0.00 0.00 39.64 39.16 1qbg n ILE 269 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1qbg s LYS 270 N -1.37 1.47 0.94 0.38 -0.14 0.76 -4.42 119.74 117.35 1qbg s LYS 270 Ca 0.00 -0.53 -0.15 0.00 -1.36 0.00 0.00 55.97 53.93 1qbg s LYS 270 Cb 0.00 -1.33 0.17 0.00 -1.68 0.00 0.00 37.83 34.99 1qbg s LYS 270 CO 0.00 0.24 1.24 0.00 -0.76 0.00 0.00 175.35 176.08 1qbg s ALA 271 N -0.05 2.15 0.00 5.17 0.00 -1.26 -4.57 121.76 123.21 1qbg s ALA 271 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1qbg s ALA 271 Cb -0.09 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1qbg s ALA 271 CO 0.01 -2.31 0.00 0.54 0.00 0.00 0.00 175.76 174.00 1qbg n ARG 272 N -3.73 0.00 0.00 0.00 5.12 -1.26 -5.00 116.66 111.79 1qbg n ARG 272 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1qbg n ARG 272 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 1qbg n ARG 272 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06