#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 -4.07 5.55 5.12 -1.26 -4.93 116.66 117.07 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 -0.65 -0.15 0.00 -1.16 0.00 0.00 32.46 30.50 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 2.45 0.17 5.56 0.52 -1.26 0.25 118.95 126.27 1qbg s ARG 4 Ca 0.00 -1.21 0.09 0.00 -0.52 0.00 0.00 55.73 54.10 1qbg s ARG 4 Cb 0.00 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 1qbg s ARG 4 CO 0.00 -0.48 -0.15 0.00 0.02 0.00 0.00 175.30 174.69 1qbg s ALA 5 N 1.16 2.80 -0.07 2.13 0.00 0.79 0.11 121.76 128.68 1qbg s ALA 5 Ca -0.05 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.44 1qbg s ALA 5 Cb -0.18 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.33 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 -2.65 1.43 -0.30 0.00 2.96 -0.31 -0.88 118.68 118.93 1qbg s LEU 6 Ca 0.22 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 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 -0.03 0.02 -0.63 -1.32 0.00 0.00 176.35 174.52 1qbg s ILE 7 N 0.99 3.25 -0.42 6.68 1.01 -0.33 -0.79 121.20 131.59 1qbg s ILE 7 Ca -0.09 -1.22 -0.18 0.00 0.00 0.00 0.00 60.65 59.16 1qbg s ILE 7 Cb -0.15 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.53 1qbg s ILE 7 CO 0.00 -0.07 0.45 -0.69 0.00 0.00 0.00 174.94 174.63 1qbg s VAL 8 N 1.32 5.07 -0.11 2.92 1.01 0.22 -1.39 120.40 129.44 1qbg s VAL 8 Ca -0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 1qbg s VAL 8 Cb -0.19 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1qbg s VAL 8 CO -0.00 -0.42 0.12 -0.22 0.00 0.00 0.00 175.10 174.57 1qbg s LEU 9 N 2.20 4.25 -0.51 3.92 2.96 -0.98 -1.24 118.68 129.26 1qbg s LEU 9 Ca 0.13 0.41 0.07 0.00 -0.22 0.00 0.00 54.13 54.53 1qbg s LEU 9 Cb -0.17 -2.03 0.32 0.00 0.50 0.00 0.00 46.19 44.81 1qbg s LEU 9 CO 0.14 0.40 0.80 0.00 -1.32 0.00 0.00 176.35 176.38 1qbg n ALA 10 N 1.99 3.57 -3.35 5.97 0.00 -0.58 -2.70 120.51 125.42 1qbg n ALA 10 Ca -0.20 -4.21 -0.13 0.00 0.00 0.00 0.00 53.44 48.91 1qbg n ALA 10 Cb 0.55 -0.83 -0.12 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.75 -0.27 0.08 0.00 5.04 -1.26 -4.53 115.29 111.61 1qbg s HIS 11 Ca 0.43 0.66 -0.11 0.00 -1.54 0.00 0.00 55.06 54.50 1qbg s HIS 11 Cb 0.26 0.06 -0.22 0.00 0.04 0.00 0.00 32.58 32.73 1qbg s HIS 11 CO -0.10 -0.16 1.19 0.66 -2.34 0.00 0.00 174.74 173.99 1qbg h SER 12 N 6.35 0.78 -3.62 9.88 4.64 -1.97 -3.43 113.55 126.17 1qbg h SER 12 Ca -0.32 -0.66 -0.51 0.00 -0.47 0.00 0.00 61.79 59.83 1qbg h SER 12 Cb 1.18 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 1qbg h SER 12 CO 0.37 1.47 0.16 -1.61 -0.87 0.00 0.00 176.83 176.35 1qbg s GLU 13 N -3.16 4.35 0.00 4.77 0.41 -1.26 -4.96 118.70 118.85 1qbg s GLU 13 Ca -0.08 0.99 0.24 0.00 -0.41 0.00 0.00 54.97 55.70 1qbg s GLU 13 Cb 0.07 -2.90 0.27 0.00 -1.78 0.00 0.00 34.13 29.79 1qbg s GLU 13 CO 0.91 0.39 1.25 0.54 -0.49 0.00 0.00 175.26 177.86 1qbg n ARG 14 N 0.78 0.26 -0.14 1.61 3.00 -1.26 -3.79 116.66 117.12 1qbg n ARG 14 Ca -0.02 -0.18 0.11 0.00 -0.01 0.00 0.00 57.85 57.75 1qbg n ARG 14 Cb 0.51 -1.50 0.27 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 -1.21 0.37 -2.45 0.55 -2.24 -1.26 -4.69 114.28 103.35 1qbg n THR 15 Ca 0.07 -0.59 -0.27 0.00 -2.27 0.00 0.00 64.05 60.99 1qbg n THR 15 Cb 0.35 0.79 0.02 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 -1.55 5.92 0.38 3.42 1.04 -1.25 -4.98 113.70 116.69 1qbg s SER 16 Ca 0.36 0.86 0.17 0.00 0.48 0.00 0.00 55.95 57.82 1qbg s SER 16 Cb 0.21 -1.99 0.78 0.00 0.10 0.00 0.00 66.02 65.11 1qbg s SER 16 CO 0.30 -0.85 1.81 0.15 0.98 0.00 0.00 173.24 175.62 1qbg h PHE 17 N -0.03 0.00 -0.71 5.02 3.57 -1.92 -2.09 116.94 120.77 1qbg h PHE 17 Ca -0.46 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.99 1qbg h PHE 17 Cb 1.23 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 1qbg h PHE 17 CO 0.53 0.36 0.23 -0.91 -2.23 0.00 0.00 178.31 176.29 1qbg h ASN 18 N 0.00 1.03 -0.38 0.41 2.35 -1.93 0.40 115.58 117.46 1qbg h ASN 18 Ca -0.00 -0.21 -0.15 0.00 -0.55 0.00 0.00 56.30 55.39 1qbg h ASN 18 Cb 0.74 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1qbg h ASN 18 CO 0.05 0.96 -0.34 0.22 -1.65 0.00 0.00 177.43 176.67 1qbg h TYR 19 N 1.05 1.09 -0.77 1.19 3.20 -1.72 -0.85 116.97 120.15 1qbg h TYR 19 Ca 0.23 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 1qbg h TYR 19 Cb 0.30 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1qbg h TYR 19 CO 0.02 1.13 0.45 0.00 -1.64 0.00 0.00 178.16 178.12 1qbg h ALA 20 N 0.84 0.99 -0.07 1.82 0.00 -0.79 -0.39 119.26 121.66 1qbg h ALA 20 Ca 0.07 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1qbg h ALA 20 Cb 0.92 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1qbg h ALA 20 CO 0.09 0.47 -0.42 0.52 0.00 0.00 0.00 179.25 179.90 1qbg h MET 21 N 1.06 0.16 -0.28 0.00 2.86 -0.01 -1.45 114.93 117.27 1qbg h MET 21 Ca 0.28 -0.08 -0.16 0.00 -2.06 0.00 0.00 59.70 57.68 1qbg h MET 21 Cb -0.02 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1qbg h MET 21 CO -0.05 0.56 -0.43 -0.22 1.06 0.00 0.00 176.91 177.83 1qbg h LYS 22 N 0.14 0.78 -0.16 1.72 3.11 -0.44 -2.38 116.57 119.34 1qbg h LYS 22 Ca 0.01 -0.47 -0.13 0.00 -2.81 0.00 0.00 60.65 57.25 1qbg h LYS 22 Cb 0.81 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.07 1qbg h LYS 22 CO 0.06 1.10 -0.45 0.93 -2.81 0.00 0.00 179.45 178.28 1qbg h GLU 23 N 0.53 0.38 -0.51 1.90 4.39 -0.93 -2.50 114.58 117.84 1qbg h GLU 23 Ca 0.02 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.41 1qbg h GLU 23 Cb 1.03 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1qbg h GLU 23 CO 0.10 0.76 -0.14 0.00 -1.16 0.00 0.00 179.01 178.57 1qbg h ALA 24 N 1.21 0.79 -0.33 3.43 0.00 -1.22 -2.43 119.26 120.71 1qbg h ALA 24 Ca 0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1qbg h ALA 24 Cb 0.92 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1qbg h ALA 24 CO 0.08 0.66 0.01 0.00 0.00 0.00 0.00 179.25 180.00 1qbg h ALA 25 N 0.97 0.44 -0.62 0.00 0.00 -1.30 -2.23 119.26 116.52 1qbg h ALA 25 Ca 0.13 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1qbg h ALA 25 Cb 0.70 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1qbg h ALA 25 CO 0.05 0.18 0.41 0.00 0.00 0.00 0.00 179.25 179.89 1qbg h ALA 26 N 0.86 0.78 0.29 0.00 0.00 -1.40 -1.67 119.26 118.12 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 17.97 1qbg h ALA 26 CO 0.01 0.22 -0.14 0.00 0.00 0.00 0.00 179.25 179.34 1qbg h ALA 27 N 1.23 -0.39 -0.22 0.00 0.00 -1.35 -1.04 119.26 117.49 1qbg h ALA 27 Ca 0.23 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1qbg h ALA 27 Cb -0.10 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1qbg h ALA 27 CO -0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 179.25 178.50 1qbg h ALA 28 N 0.25 0.18 -0.71 0.00 0.00 -1.28 0.29 119.26 117.98 1qbg h ALA 28 Ca -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1qbg h ALA 28 Cb 0.34 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1qbg h ALA 28 CO 0.07 -0.44 0.41 -0.07 0.00 0.00 0.00 179.25 179.22 1qbg h LEU 29 N 0.05 0.86 -0.59 0.00 4.07 -1.28 -2.52 115.31 115.90 1qbg h LEU 29 Ca 0.10 -0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 1qbg h LEU 29 Cb 0.14 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1qbg h LEU 29 CO -0.18 0.68 0.18 0.11 -1.08 0.00 0.00 178.44 178.15 1qbg h LYS 30 N 0.97 0.92 0.00 1.13 1.57 -0.79 0.94 116.57 121.31 1qbg h LYS 30 Ca 0.25 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1qbg h LYS 30 Cb -0.01 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1qbg h LYS 30 CO -0.05 0.83 -0.02 0.87 -0.57 0.00 0.00 179.45 180.52 1qbg h LYS 31 N 0.84 0.00 -0.23 3.15 1.57 -0.60 0.03 116.57 121.32 1qbg h LYS 31 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1qbg h LYS 31 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1qbg h LYS 31 CO -0.00 0.02 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 1qbg n LYS 32 N -3.62 2.20 -1.42 3.15 4.76 -0.78 -4.94 118.16 117.52 1qbg n LYS 32 Ca -0.03 -1.80 0.00 0.00 -2.87 0.00 0.00 58.31 53.61 1qbg n LYS 32 Cb 0.10 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 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 1.35 0.93 3.89 0.72 0.00 -0.00 -5.07 105.19 107.00 1qbg n GLY 33 Ca 0.17 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.18 3.58 -0.44 1.61 0.52 0.26 -4.82 118.94 117.47 1qbg s TRP 34 Ca 0.00 0.54 -0.21 0.00 0.02 0.00 0.00 56.10 56.45 1qbg s TRP 34 Cb 0.00 -1.96 0.02 0.00 -1.15 0.00 0.00 33.47 30.38 1qbg s TRP 34 CO 0.00 0.63 0.67 -2.00 0.02 0.00 0.00 176.95 176.27 1qbg s GLU 35 N -1.70 3.33 -0.32 4.98 2.12 0.68 -4.24 118.70 123.55 1qbg s GLU 35 Ca 0.26 -0.29 -0.12 0.00 0.36 0.00 0.00 54.97 55.18 1qbg s GLU 35 Cb -0.13 -3.94 -0.02 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 2.91 5.11 -0.01 3.70 1.01 -1.26 -0.15 120.40 131.72 1qbg s VAL 36 Ca 0.24 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1qbg s VAL 36 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1qbg s VAL 36 CO 0.19 0.07 -0.02 -0.69 0.00 0.00 0.00 175.10 174.66 1qbg s VAL 37 N 1.70 4.02 0.36 2.92 1.01 -0.06 -5.00 120.40 125.34 1qbg s VAL 37 Ca 0.06 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.50 1qbg s VAL 37 Cb -0.17 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.38 1qbg s VAL 37 CO 0.09 0.40 -0.03 -1.61 0.00 0.00 0.00 175.10 173.95 1qbg s GLU 38 N -1.47 1.94 -0.44 2.72 2.02 -1.26 -1.19 118.70 121.02 1qbg s GLU 38 Ca 0.18 -1.89 0.06 0.00 0.02 0.00 0.00 54.97 53.34 1qbg s GLU 38 Cb -0.11 -1.78 0.22 0.00 0.10 0.00 0.00 34.13 32.55 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 -0.89 -1.44 -4.57 -0.19 7.64 -0.49 -4.87 113.62 108.81 1qbg n SER 39 Ca -0.05 -2.81 -0.42 0.00 1.01 0.00 0.00 58.87 56.60 1qbg n SER 39 Cb 0.64 0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 64.27 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 -0.64 6.64 0.31 6.43 -1.08 -1.26 -2.33 116.67 124.74 1qbg s ASP 40 Ca 0.33 -1.99 0.06 0.00 -0.52 0.00 0.00 52.55 50.43 1qbg s ASP 40 Cb 0.12 -2.58 0.86 0.00 -1.46 0.00 0.00 42.92 39.87 1qbg s ASP 40 CO -0.16 -1.37 1.60 -0.07 0.52 0.00 0.00 175.17 175.69 1qbg h LEU 41 N 12.84 -0.17 -0.36 -1.34 3.38 -1.89 0.28 115.31 128.05 1qbg h LEU 41 Ca 0.33 0.25 -0.18 0.00 0.09 0.00 0.00 57.88 58.38 1qbg h LEU 41 Cb 0.93 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1qbg h LEU 41 CO 1.44 -0.31 -0.55 1.88 0.09 0.00 0.00 178.44 180.99 1qbg h TYR 42 N 0.07 0.98 0.00 1.13 0.05 -1.84 -1.18 116.97 116.19 1qbg h TYR 42 Ca 0.64 -0.35 -0.11 0.00 0.05 0.00 0.00 58.73 58.96 1qbg h TYR 42 Cb 1.40 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.94 1qbg h TYR 42 CO -0.33 1.15 -0.52 0.00 -1.05 0.00 0.00 178.16 177.42 1qbg h ALA 43 N 0.77 1.15 -0.01 3.88 0.00 -1.35 -2.45 119.26 121.26 1qbg h ALA 43 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1qbg h ALA 43 Cb 1.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1qbg h ALA 43 CO 0.12 0.64 -0.07 -1.33 0.00 0.00 0.00 179.25 178.62 1qbg n MET 44 N -3.92 1.07 -3.84 0.00 2.81 -0.22 -4.90 117.12 108.10 1qbg n MET 44 Ca -0.01 -0.43 -0.28 0.00 -1.81 0.00 0.00 57.70 55.16 1qbg n MET 44 Cb 0.53 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.58 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 -0.59 -4.43 -4.74 7.83 5.15 -0.92 -4.86 115.26 112.69 1qbg n ASN 45 Ca 0.18 -0.76 -0.42 0.00 -0.60 0.00 0.00 54.58 52.98 1qbg n ASN 45 Cb 0.27 -4.06 -0.01 0.00 -0.53 0.00 0.00 39.78 35.46 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 -4.66 2.67 -3.21 1.20 7.35 -0.48 -4.97 117.46 115.36 1qbg n PHE 46 Ca -0.02 0.45 -0.41 0.00 -0.76 0.00 0.00 57.45 56.72 1qbg n PHE 46 Cb 0.55 -2.50 -0.08 0.00 0.35 0.00 0.00 39.48 37.81 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 -0.07 6.35 0.13 -2.13 3.04 -1.26 -4.96 114.94 116.05 1qbg s ASN 47 Ca 0.57 0.06 0.25 0.00 0.04 0.00 0.00 52.86 53.77 1qbg s ASN 47 Cb -0.52 -2.28 0.46 0.00 -1.54 0.00 0.00 41.25 37.36 1qbg s ASN 47 CO 0.60 -0.49 1.42 -0.81 -3.04 0.00 0.00 177.10 174.78 1qbg n PRO 48 N 5.80 0.27 -2.90 0.43 -0.04 -1.26 -4.85 135.00 132.44 1qbg n PRO 48 Ca -0.04 0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 1qbg n PRO 48 Cb 0.49 -1.70 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 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 -3.14 4.87 0.34 0.52 -1.09 -1.26 -4.30 121.20 117.13 1qbg s ILE 49 Ca 0.07 1.57 -0.26 0.00 -2.23 0.00 0.00 60.65 59.81 1qbg s ILE 49 Cb 0.13 -4.12 -0.09 0.00 -1.58 0.00 0.00 42.46 36.80 1qbg s ILE 49 CO 0.69 -0.02 1.01 0.27 -1.23 0.00 0.00 174.94 175.66 1qbg s ILE 50 N 2.50 3.91 0.17 2.92 -4.36 -1.26 -4.99 121.20 120.09 1qbg s ILE 50 Ca 0.36 1.59 -0.24 0.00 -0.26 0.00 0.00 60.65 62.10 1qbg s ILE 50 Cb -0.16 -3.88 0.07 0.00 1.25 0.00 0.00 42.46 39.74 1qbg s ILE 50 CO 0.10 0.13 0.97 -0.55 0.24 0.00 0.00 174.94 175.83 1qbg s SER 51 N -1.48 -0.13 0.49 4.36 0.15 -1.26 -5.00 113.70 110.84 1qbg s SER 51 Ca 0.52 -0.50 0.33 0.00 0.70 0.00 0.00 55.95 57.01 1qbg s SER 51 Cb -0.22 0.51 1.79 0.00 -1.71 0.00 0.00 66.02 66.39 1qbg s SER 51 CO 0.28 -0.95 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 -0.39 114.38 119.58 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 0.28 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 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 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 -3.49 0.86 3.32 -1.44 -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 0.63 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.94 1qbg h ASP 54 CO 0.02 0.00 -0.45 -0.63 -1.72 0.00 0.00 179.24 176.46 1qbg s ILE 55 N -3.84 4.76 -1.27 0.35 1.09 -0.89 0.07 121.20 121.47 1qbg s ILE 55 Ca -0.03 -0.97 -0.10 0.00 -1.10 0.00 0.00 60.65 58.46 1qbg s ILE 55 Cb 0.10 -3.75 0.17 0.00 -1.06 0.00 0.00 42.46 37.93 1qbg s ILE 55 CO 0.37 -0.37 1.83 0.35 -0.10 0.00 0.00 174.94 177.02 1qbg n THR 56 N 5.05 4.36 -3.27 2.92 -2.24 0.78 -4.87 114.28 117.01 1qbg n THR 56 Ca -0.11 -4.45 0.00 0.00 -2.27 0.00 0.00 64.05 57.21 1qbg n THR 56 Cb 0.45 -2.36 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 2.89 -0.54 3.76 3.38 0.00 -1.26 -4.82 105.19 108.59 1qbg n GLY 57 Ca 0.39 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.84 4.57 0.08 1.61 1.02 -1.26 -5.05 119.74 119.87 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 -3.31 -0.07 0.00 -0.52 0.00 0.00 37.83 33.93 1qbg s LYS 58 CO 0.00 0.42 0.56 -0.51 -0.92 0.00 0.00 175.35 174.91 1qbg s LEU 59 N -0.62 4.52 0.47 3.17 1.43 -1.26 -4.97 118.68 121.41 1qbg s LEU 59 Ca 0.38 1.25 0.14 0.00 -1.03 0.00 0.00 54.13 54.87 1qbg s LEU 59 Cb -0.22 -2.91 1.08 0.00 0.03 0.00 0.00 46.19 44.16 1qbg s LEU 59 CO 0.26 0.27 2.05 0.50 0.23 0.00 0.00 176.35 179.65 1qbg h LYS 60 N 4.48 0.05 -1.90 1.70 3.64 -1.96 -3.34 116.57 119.24 1qbg h LYS 60 Ca -0.50 -0.01 -0.45 0.00 -1.27 0.00 0.00 60.65 58.43 1qbg h LYS 60 Cb 1.21 -0.01 -0.31 0.00 -0.41 0.00 0.00 32.23 32.71 1qbg h LYS 60 CO 0.63 0.14 -0.82 -3.47 -2.27 0.00 0.00 179.45 173.66 1qbg n ASP 61 N -4.41 -1.44 0.25 4.20 -0.08 -1.26 -4.99 116.55 108.82 1qbg n ASP 61 Ca -0.02 -2.56 0.08 0.00 -1.51 0.00 0.00 54.79 50.77 1qbg n ASP 61 Cb 0.18 0.20 0.61 0.00 2.34 0.00 0.00 41.12 44.44 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 5.38 0.00 -0.04 -0.67 0.11 -2.00 -2.74 132.00 132.05 1qbg h PRO 62 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1qbg h PRO 62 Cb 0.97 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1qbg h PRO 62 CO 0.26 0.07 -0.02 0.00 -0.21 0.00 0.00 178.00 178.10 1qbg h ALA 63 N 1.93 0.05 -3.11 -0.75 0.00 -1.95 -3.36 119.26 112.07 1qbg h ALA 63 Ca -0.00 -0.23 -0.65 0.00 0.00 0.00 0.00 54.91 54.04 1qbg h ALA 63 Cb 0.13 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.50 1qbg h ALA 63 CO 0.01 -0.21 -0.47 -0.80 0.00 0.00 0.00 179.25 177.77 1qbg s ASN 64 N -5.71 4.98 -0.08 0.00 -0.87 -1.05 -5.08 114.94 107.13 1qbg s ASN 64 Ca -0.15 -3.55 -0.30 0.00 -1.57 0.00 0.00 52.86 47.29 1qbg s ASN 64 Cb 0.03 -1.71 -0.03 0.00 -0.02 0.00 0.00 41.25 39.52 1qbg s ASN 64 CO 0.69 -0.16 1.22 0.12 -2.57 0.00 0.00 177.10 176.40 1qbg s PHE 65 N -1.05 3.09 -0.27 2.20 2.19 -1.10 -4.74 117.98 118.30 1qbg s PHE 65 Ca 0.23 1.14 0.02 0.00 0.33 0.00 0.00 56.93 58.65 1qbg s PHE 65 Cb -0.11 -3.45 0.07 0.00 -1.31 0.00 0.00 43.02 38.22 1qbg s PHE 65 CO -0.11 -1.46 -0.02 -0.65 1.83 0.00 0.00 175.22 174.81 1qbg s GLN 66 N 2.56 1.60 0.17 10.12 -0.21 -1.26 -5.04 119.66 127.59 1qbg s GLN 66 Ca 0.56 -1.26 -0.21 0.00 0.02 0.00 0.00 55.36 54.47 1qbg s GLN 66 Cb -0.24 -2.71 0.08 0.00 1.00 0.00 0.00 33.01 31.13 1qbg s GLN 66 CO 0.20 -0.71 1.62 -0.92 -2.12 0.00 0.00 175.29 173.36 1qbg h TYR 67 N 7.86 -0.69 -0.40 0.91 3.20 -1.97 0.90 116.97 126.78 1qbg h TYR 67 Ca -0.15 0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.86 1qbg h TYR 67 Cb 1.05 0.36 -0.09 0.00 1.54 0.00 0.00 36.73 39.59 1qbg h TYR 67 CO 0.50 -0.33 -0.19 -1.00 -1.64 0.00 0.00 178.16 175.50 1qbg h PRO 68 N -0.20 -0.11 -0.22 1.82 0.13 -1.98 0.56 132.00 132.00 1qbg h PRO 68 Ca 0.18 0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.26 1qbg h PRO 68 Cb 0.49 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1qbg h PRO 68 CO -0.49 -0.07 -0.08 0.00 -0.23 0.00 0.00 178.00 177.12 1qbg h ALA 69 N 1.17 0.31 -0.49 -0.56 0.00 -1.92 -2.68 119.26 115.08 1qbg h ALA 69 Ca 0.20 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1qbg h ALA 69 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1qbg h ALA 69 CO -0.48 0.12 0.03 0.93 0.00 0.00 0.00 179.25 179.86 1qbg h GLU 70 N 0.16 0.85 -0.22 0.00 4.39 -0.44 -2.54 114.58 116.79 1qbg h GLU 70 Ca 0.05 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 1qbg h GLU 70 Cb 0.55 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1qbg h GLU 70 CO 0.03 0.87 -0.21 0.66 -1.16 0.00 0.00 179.01 179.20 1qbg h SER 71 N 0.71 0.38 -0.14 1.42 4.64 0.07 -0.97 113.55 119.66 1qbg h SER 71 Ca 0.14 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 1qbg h SER 71 Cb 0.47 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1qbg h SER 71 CO 0.02 0.61 -0.17 0.58 -0.87 0.00 0.00 176.83 176.99 1qbg h VAL 72 N 0.35 1.35 -0.50 0.95 2.07 -1.38 -1.46 116.25 117.64 1qbg h VAL 72 Ca 0.06 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1qbg h VAL 72 Cb 0.57 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1qbg h VAL 72 CO 0.04 0.40 0.25 0.25 0.02 0.00 0.00 177.57 178.53 1qbg h LEU 73 N -0.01 0.65 -0.93 2.57 5.85 -1.35 -0.06 115.31 122.01 1qbg h LEU 73 Ca 0.02 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1qbg h LEU 73 Cb 0.72 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1qbg h LEU 73 CO 0.04 0.58 0.61 0.00 -0.34 0.00 0.00 178.44 179.33 1qbg h ALA 74 N 1.09 1.22 -0.34 1.25 0.00 -1.16 0.12 119.26 121.44 1qbg h ALA 74 Ca 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1qbg h ALA 74 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1qbg h ALA 74 CO -0.02 0.50 0.07 -0.92 0.00 0.00 0.00 179.25 178.87 1qbg h TYR 75 N 1.19 0.59 -0.56 0.00 3.20 -0.70 0.78 116.97 121.47 1qbg h TYR 75 Ca 0.36 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 62.17 1qbg h TYR 75 Cb -0.03 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 1qbg h TYR 75 CO -0.01 0.61 0.36 0.87 -1.64 0.00 0.00 178.16 178.35 1qbg h LYS 76 N 0.39 0.70 -0.04 1.82 6.56 -0.29 -2.66 116.57 123.05 1qbg h LYS 76 Ca 0.10 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 1qbg h LYS 76 Cb 0.33 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1qbg h LYS 76 CO 0.00 0.46 0.00 0.39 -2.06 0.00 0.00 179.45 178.25 1qbg n GLU 77 N -4.73 1.70 -3.04 3.15 1.02 -0.04 -4.95 120.64 113.75 1qbg n GLU 77 Ca 0.04 -1.01 -0.12 0.00 -0.02 0.00 0.00 57.16 56.05 1qbg n GLU 77 Cb 0.05 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 30.04 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 1.18 0.21 1.47 0.62 0.00 0.28 -4.95 105.19 103.99 1qbg n GLY 78 Ca 0.19 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.75 1.65 -3.43 1.61 8.25 0.25 -5.01 115.22 114.79 1qbg n HIS 79 Ca 0.00 -1.90 -0.33 0.00 -0.26 0.00 0.00 57.72 55.24 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 -3.39 4.21 0.20 2.41 1.43 -1.25 -0.16 118.68 122.14 1qbg s LEU 80 Ca 0.48 0.92 -0.32 0.00 -1.03 0.00 0.00 54.13 54.18 1qbg s LEU 80 Cb 0.42 -3.55 -0.15 0.00 0.03 0.00 0.00 46.19 42.94 1qbg s LEU 80 CO 0.00 -0.02 1.28 -0.24 0.23 0.00 0.00 176.35 177.60 1qbg n SER 81 N 0.09 1.99 -0.29 2.29 2.88 0.11 -4.69 113.62 116.00 1qbg n SER 81 Ca -0.01 1.14 0.26 0.00 -1.33 0.00 0.00 58.87 58.93 1qbg n SER 81 Cb 0.52 -1.31 0.60 0.00 -0.75 0.00 0.00 64.21 63.27 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 3.77 0.23 0.00 -1.46 0.11 -1.95 -0.18 132.00 132.51 1qbg h PRO 82 Ca -0.44 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 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 0.73 0.15 -0.53 0.38 -0.21 0.00 0.00 178.00 178.52 1qbg h ASP 83 N 0.24 0.00 -0.00 -2.05 2.03 -1.99 -2.63 116.42 112.02 1qbg h ASP 83 Ca 0.55 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.72 1qbg h ASP 83 Cb 1.69 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 40.20 1qbg h ASP 83 CO -0.17 0.53 -0.50 0.40 -1.03 0.00 0.00 179.24 178.47 1qbg h ILE 84 N 0.00 1.46 0.00 4.15 2.04 -1.39 -3.21 117.51 120.55 1qbg h ILE 84 Ca -0.01 -2.04 -0.02 0.00 1.00 0.00 0.00 64.86 63.80 1qbg h ILE 84 Cb 1.11 2.64 -0.00 0.00 -0.74 0.00 0.00 36.82 39.83 1qbg h ILE 84 CO 0.07 0.58 -0.08 0.58 0.00 0.00 0.00 178.15 179.31 1qbg h VAL 85 N -0.21 1.04 -0.32 1.67 2.07 -1.43 -2.19 116.25 116.87 1qbg h VAL 85 Ca -0.06 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.03 1qbg h VAL 85 Cb 1.23 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1qbg h VAL 85 CO 0.10 0.07 -0.44 0.00 0.02 0.00 0.00 177.57 177.32 1qbg h ALA 86 N 1.92 0.60 -0.17 1.67 0.00 -1.50 -2.13 119.26 119.65 1qbg h ALA 86 Ca -0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 1qbg h ALA 86 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1qbg h ALA 86 CO 0.01 0.68 -0.58 0.93 0.00 0.00 0.00 179.25 180.28 1qbg h GLU 87 N 0.67 0.55 -0.29 0.00 4.39 -1.47 -2.96 114.58 115.46 1qbg h GLU 87 Ca 0.04 -0.36 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 1qbg h GLU 87 Cb 1.02 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1qbg h GLU 87 CO 0.10 0.98 -0.12 1.96 -1.16 0.00 0.00 179.01 180.77 1qbg h GLN 88 N 0.41 0.49 -0.26 2.33 4.20 -1.33 -2.41 115.11 118.55 1qbg h GLN 88 Ca 0.00 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.49 1qbg h GLN 88 Cb 1.14 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1qbg h GLN 88 CO 0.11 0.61 -0.19 0.87 -0.67 0.00 0.00 178.83 179.56 1qbg h LYS 89 N 0.46 0.46 -0.22 1.46 1.57 -1.23 -2.12 116.57 116.95 1qbg h LYS 89 Ca 0.09 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1qbg h LYS 89 Cb 0.48 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1qbg h LYS 89 CO 0.03 0.64 -0.04 0.87 -0.57 0.00 0.00 179.45 180.37 1qbg h LYS 90 N 0.42 0.42 0.01 3.15 1.57 -1.30 -3.04 116.57 117.80 1qbg h LYS 90 Ca 0.07 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1qbg h LYS 90 Cb 0.58 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1qbg h LYS 90 CO 0.04 0.65 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.44 1qbg h LEU 91 N 0.15 -0.18 -1.01 2.94 3.38 -1.28 -0.95 115.31 118.35 1qbg h LEU 91 Ca 0.06 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.24 1qbg h LEU 91 Cb 0.49 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 1qbg h LEU 91 CO 0.02 -0.10 0.62 -0.33 0.09 0.00 0.00 178.44 178.74 1qbg h GLU 92 N -0.12 0.77 0.00 1.13 5.08 -1.41 -1.17 114.58 118.87 1qbg h GLU 92 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1qbg h GLU 92 Cb 0.15 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1qbg h GLU 92 CO -0.06 0.51 -0.48 0.00 -1.00 0.00 0.00 179.01 177.98 1qbg h ALA 93 N 1.63 0.72 -2.76 3.43 0.00 -1.36 -3.46 119.26 117.46 1qbg h ALA 93 Ca 0.57 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.98 1qbg h ALA 93 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1qbg h ALA 93 CO -0.37 0.00 0.38 0.00 0.00 0.00 0.00 179.25 179.27 1qbg s ALA 94 N -3.21 3.35 -0.24 0.00 0.00 -0.39 -4.75 121.76 116.51 1qbg s ALA 94 Ca 0.05 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.70 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 0.71 0.11 -0.16 -0.25 0.00 0.00 0.00 175.76 176.17 1qbg n ASP 95 N 1.48 2.00 -4.24 0.00 8.00 0.31 -4.92 116.55 119.17 1qbg n ASP 95 Ca -0.02 -0.08 -0.31 0.00 0.71 0.00 0.00 54.79 55.09 1qbg n ASP 95 Cb 0.47 -0.48 -0.16 0.00 -0.02 0.00 0.00 41.12 40.92 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 -6.61 2.04 -0.19 0.64 2.96 -1.01 -1.80 118.68 114.72 1qbg s LEU 96 Ca -0.34 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.10 1qbg s LEU 96 Cb 0.09 -1.31 0.03 0.00 0.50 0.00 0.00 46.19 45.50 1qbg s LEU 96 CO 0.62 0.22 -0.15 -0.69 -1.32 0.00 0.00 176.35 175.03 1qbg s VAL 97 N -0.10 1.86 -0.17 1.68 1.01 0.11 -1.16 120.40 123.63 1qbg s VAL 97 Ca -0.05 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 1qbg s VAL 97 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1qbg s VAL 97 CO 0.04 0.36 0.05 -0.63 0.00 0.00 0.00 175.10 174.92 1qbg s ILE 98 N 1.34 4.68 -0.37 2.22 1.01 0.03 -1.39 121.20 128.72 1qbg s ILE 98 Ca 0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 1qbg s ILE 98 Cb -0.15 -3.10 0.07 0.00 0.01 0.00 0.00 42.46 39.30 1qbg s ILE 98 CO -0.10 0.47 0.14 -0.36 0.00 0.00 0.00 174.94 175.09 1qbg s PHE 99 N 0.30 3.37 -0.29 3.97 0.08 -0.32 -0.61 117.98 124.48 1qbg s PHE 99 Ca 0.03 -1.83 -0.10 0.00 0.12 0.00 0.00 56.93 55.14 1qbg s PHE 99 Cb -0.12 -2.65 -0.03 0.00 -0.57 0.00 0.00 43.02 39.65 1qbg s PHE 99 CO 0.01 -0.84 0.16 -1.14 -0.10 0.00 0.00 175.22 173.30 1qbg s GLN 100 N 1.30 3.65 -0.00 0.44 2.00 -0.38 -0.39 119.66 126.28 1qbg s GLN 100 Ca 0.01 -0.51 -0.28 0.00 -2.00 0.00 0.00 55.36 52.58 1qbg s GLN 100 Cb -0.21 -3.58 0.09 0.00 0.80 0.00 0.00 33.01 30.11 1qbg s GLN 100 CO -0.00 -0.29 0.81 -0.59 -0.50 0.00 0.00 175.29 174.72 1qbg s PHE 101 N 1.68 -0.44 0.06 1.67 -0.71 -0.91 -1.53 117.98 117.80 1qbg s PHE 101 Ca 0.06 0.46 -0.19 0.00 -1.04 0.00 0.00 56.93 56.22 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 0.08 -0.58 0.56 -1.25 -1.34 0.00 0.00 175.22 172.68 1qbg s PRO 102 N -2.59 4.18 0.10 1.99 0.04 -1.26 -2.98 135.00 134.48 1qbg s PRO 102 Ca 0.00 0.71 -0.31 0.00 0.04 0.00 0.00 61.00 61.44 1qbg s PRO 102 Cb -0.01 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 31.18 1qbg s PRO 102 CO -0.05 0.63 1.85 -0.11 0.04 0.00 0.00 177.00 179.36 1qbg n LEU 103 N 1.78 3.98 -3.86 -3.56 7.94 0.72 -4.57 117.00 119.42 1qbg n LEU 103 Ca -0.10 0.98 -0.29 0.00 -1.11 0.00 0.00 56.01 55.49 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 0.14 -0.41 -1.10 -1.11 0.00 0.00 177.39 175.33 1qbg s GLN 104 N 2.97 1.28 -1.18 1.96 -0.21 -0.47 -4.81 119.66 119.20 1qbg s GLN 104 Ca 0.83 -0.66 -0.09 0.00 0.02 0.00 0.00 55.36 55.46 1qbg s GLN 104 Cb -0.50 -2.24 -0.02 0.00 1.00 0.00 0.00 33.01 31.25 1qbg s GLN 104 CO 0.39 -0.55 0.78 0.91 -2.12 0.00 0.00 175.29 174.70 1qbg n TRP 105 N 4.85 -2.04 -3.72 0.91 7.02 -1.26 -1.99 117.44 121.22 1qbg n TRP 105 Ca -0.11 0.70 -0.28 0.00 -1.02 0.00 0.00 57.50 56.78 1qbg n TRP 105 Cb 0.46 -3.97 -0.00 0.00 -2.42 0.00 0.00 31.31 25.38 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 -4.00 -1.89 -2.75 -5.99 3.01 -1.26 -4.85 117.46 99.72 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 -3.19 0.00 0.00 -0.01 0.00 0.00 39.48 36.91 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 -1.35 1.87 3.85 1.37 0.00 -0.84 -4.99 105.19 105.10 1qbg n GLY 107 Ca 0.02 -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 -2.63 4.82 0.49 1.61 1.01 -1.26 -1.37 120.40 123.07 1qbg s VAL 108 Ca 0.00 0.82 -0.23 0.00 0.00 0.00 0.00 61.98 62.56 1qbg s VAL 108 Cb 0.00 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1qbg s VAL 108 CO 0.00 0.12 1.32 -2.65 0.00 0.00 0.00 175.10 173.89 1qbg n PRO 109 N 0.46 1.82 -0.34 2.72 -0.02 -1.26 -4.70 135.00 133.68 1qbg n PRO 109 Ca -0.03 0.66 0.19 0.00 -2.02 0.00 0.00 63.50 62.30 1qbg n PRO 109 Cb 0.52 -2.50 0.42 0.00 -0.02 0.00 0.00 33.50 31.93 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 1.74 1.94 0.00 3.55 0.00 -1.96 0.65 119.26 125.18 1qbg h ALA 110 Ca -0.50 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1qbg h ALA 110 Cb 1.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1qbg h ALA 110 CO 0.58 -0.38 -0.39 0.97 0.00 0.00 0.00 179.25 180.03 1qbg h ILE 111 N 0.54 1.13 0.20 0.00 2.10 -1.97 -1.40 117.51 118.12 1qbg h ILE 111 Ca 0.62 -1.41 -0.32 0.00 1.08 0.00 0.00 64.86 64.82 1qbg h ILE 111 Cb 1.29 1.79 0.02 0.00 -1.09 0.00 0.00 36.82 38.83 1qbg h ILE 111 CO -0.39 0.38 -1.49 0.25 -1.08 0.00 0.00 178.15 175.82 1qbg h LEU 112 N 0.00 0.67 -0.95 2.19 6.46 -1.29 -3.02 115.31 119.38 1qbg h LEU 112 Ca -0.00 -0.78 -0.02 0.00 -0.12 0.00 0.00 57.88 56.95 1qbg h LEU 112 Cb 0.76 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 1qbg h LEU 112 CO 0.05 1.63 0.43 0.50 -0.62 0.00 0.00 178.44 180.43 1qbg h LYS 113 N 0.12 1.18 0.00 1.25 1.63 -0.99 -0.77 116.57 118.98 1qbg h LYS 113 Ca -0.25 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1qbg h LYS 113 Cb 2.10 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 33.51 1qbg h LYS 113 CO 0.23 0.88 0.00 0.78 -3.45 0.00 0.00 179.45 177.89 1qbg h GLY 114 N 1.19 0.00 1.02 5.01 0.00 -1.32 -2.16 103.07 106.81 1qbg h GLY 114 Ca 0.29 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.44 1qbg h GLY 114 CO -0.04 0.00 -0.61 -0.25 0.00 0.00 0.00 176.54 175.64 1qbg h TRP 115 N 0.00 0.88 -0.21 5.60 7.01 -1.02 -2.31 115.95 125.91 1qbg h TRP 115 Ca 0.00 -0.38 -0.02 0.00 2.11 0.00 0.00 58.89 60.59 1qbg h TRP 115 Cb 0.55 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.46 1qbg h TRP 115 CO 0.00 1.19 0.04 0.74 -2.79 0.00 0.00 178.44 177.61 1qbg h PHE 116 N 0.33 0.36 0.00 2.65 0.04 -1.11 -0.58 116.94 118.63 1qbg h PHE 116 Ca -0.04 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1qbg h PHE 116 Cb 1.25 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 39.29 1qbg h PHE 116 CO 0.10 0.47 -0.07 0.93 -0.60 0.00 0.00 178.31 179.14 1qbg h GLU 117 N 0.14 0.00 0.00 1.51 5.08 -1.40 -0.67 114.58 119.24 1qbg h GLU 117 Ca 0.06 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.06 1qbg h GLU 117 Cb 0.30 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1qbg h GLU 117 CO 0.00 0.07 -2.32 0.54 -1.00 0.00 0.00 179.01 176.30 1qbg n ARG 118 N -4.34 0.68 0.02 2.33 1.74 -0.87 -4.60 116.66 111.61 1qbg n ARG 118 Ca -0.03 0.06 -0.15 0.00 -0.77 0.00 0.00 57.85 56.97 1qbg n ARG 118 Cb 0.15 -1.56 -0.14 0.00 -1.02 0.00 0.00 32.46 29.90 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 0.92 -1.15 1.55 2.07 -1.08 -3.41 116.25 115.16 1qbg h VAL 119 Ca -0.52 -2.66 -0.71 0.00 0.82 0.00 0.00 66.70 63.62 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 0.01 0.73 2.11 0.49 0.02 0.00 0.00 177.57 180.93 1qbg n PHE 120 N -3.32 4.35 -3.26 1.57 3.01 -0.26 -4.84 117.46 114.71 1qbg n PHE 120 Ca -0.20 -3.01 -0.33 0.00 1.01 0.00 0.00 57.45 54.92 1qbg n PHE 120 Cb 1.04 -2.41 -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 2.83 4.78 0.75 4.37 -1.09 -1.26 -4.82 121.20 126.76 1qbg s ILE 121 Ca 0.48 0.78 -0.15 0.00 -2.23 0.00 0.00 60.65 59.53 1qbg s ILE 121 Cb 0.04 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1qbg s ILE 121 CO 0.02 -0.08 0.89 0.61 -1.23 0.00 0.00 174.94 175.15 1qbg n GLY 122 N -0.10 -0.66 4.31 6.18 0.00 -1.26 -1.02 105.19 112.63 1qbg n GLY 122 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.85 0.00 -0.12 1.61 -0.58 0.59 -4.57 120.64 115.71 1qbg n GLU 123 Ca 0.12 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.62 1qbg n GLU 123 Cb 0.50 -1.15 -0.09 0.00 -0.57 0.00 0.00 31.44 30.13 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 -0.79 0.18 0.81 -0.32 7.35 -0.72 -4.68 117.46 119.29 1qbg n PHE 124 Ca 0.00 0.08 0.09 0.00 -0.76 0.00 0.00 57.45 56.85 1qbg n PHE 124 Cb 0.00 -0.91 -0.11 0.00 0.35 0.00 0.00 39.48 38.81 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 -4.15 4.30 -3.67 3.13 0.00 -0.19 -4.86 120.51 115.07 1qbg n ALA 125 Ca -0.42 -0.51 -0.04 0.00 0.00 0.00 0.00 53.44 52.46 1qbg n ALA 125 Cb 0.77 -0.66 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.75 -0.17 -0.25 0.00 1.13 -1.26 -4.41 117.35 109.64 1qbg s TYR 126 Ca 0.06 -0.06 -0.23 0.00 -1.41 0.00 0.00 57.07 55.43 1qbg s TYR 126 Cb 0.14 0.60 0.06 0.00 -1.10 0.00 0.00 41.96 41.66 1qbg s TYR 126 CO 0.75 -0.67 0.66 0.95 -2.51 0.00 0.00 175.55 174.73 1qbg s THR 127 N -3.11 -0.00 -2.00 -3.49 -4.23 -1.26 -0.30 115.64 101.25 1qbg s THR 127 Ca 0.11 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.66 1qbg s THR 127 Cb -0.00 -0.92 0.12 0.00 1.34 0.00 0.00 72.50 73.04 1qbg s THR 127 CO -0.01 0.00 1.06 -1.22 -0.54 0.00 0.00 174.62 173.90 1qbg n TYR 128 N 2.77 0.00 0.37 3.99 4.01 -1.26 -1.77 117.16 125.27 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 0.55 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 2.62 -2.80 -0.72 0.00 -1.26 -4.71 120.51 113.07 1qbg n ALA 129 Ca 0.03 -0.49 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 1qbg n ALA 129 Cb 0.01 -0.30 0.04 0.00 0.00 0.00 0.00 19.45 19.21 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 0.09 -0.84 -1.99 0.00 0.00 -0.73 -5.10 120.51 111.94 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 0.20 -1.24 0.00 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 3.60 1.98 0.00 1.00 -1.13 -3.09 119.30 122.00 1qbg s MET 131 Ca 0.30 0.59 0.00 0.00 0.00 0.00 0.00 55.69 56.59 1qbg s MET 131 Cb 0.24 -2.17 0.00 0.00 0.00 0.00 0.00 34.83 32.90 1qbg s MET 131 CO -0.19 -0.45 0.00 0.66 0.00 0.00 0.00 175.02 175.04 1qbg n TYR 132 N -2.55 0.00 0.19 -0.03 4.01 -0.79 -1.84 117.16 116.15 1qbg n TYR 132 Ca 0.04 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.85 1qbg n TYR 132 Cb 0.54 0.00 0.36 0.00 -0.31 0.00 0.00 39.34 39.93 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 -0.46 7.72 2.03 -1.87 0.75 116.42 124.59 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 -2.14 3.60 -1.61 4.15 5.02 -0.77 -4.83 118.16 121.57 1qbg n LYS 134 Ca -0.01 -2.82 -0.29 0.00 -2.02 0.00 0.00 58.31 53.17 1qbg n LYS 134 Cb 0.41 -1.87 0.13 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.25 1.58 0.39 0.72 0.00 0.26 -4.52 107.32 104.51 1qbg s GLY 135 Ca 0.45 -0.58 0.06 0.00 0.00 0.00 0.00 44.72 44.65 1qbg s GLY 135 CO 0.16 -0.02 2.04 -2.55 0.00 0.00 0.00 173.10 172.73 1qbg h PRO 136 N -1.44 0.64 -0.69 2.90 0.11 -1.74 -2.61 132.00 129.16 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 0.42 0.00 1.19 -0.21 0.00 0.00 178.00 180.02 1qbg n PHE 137 N -4.46 1.05 0.25 0.65 3.72 -0.55 -4.44 117.46 113.68 1qbg n PHE 137 Ca 0.05 -0.38 0.14 0.00 -0.05 0.00 0.00 57.45 57.20 1qbg n PHE 137 Cb 0.07 -0.26 0.73 0.00 -0.94 0.00 0.00 39.48 39.08 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 2.29 0.00 -0.35 -1.08 0.11 -1.36 0.12 114.38 114.10 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 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1qbg h ARG 138 CO 0.22 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 179.16 1qbg n SER 139 N -2.57 3.27 -4.72 0.08 3.41 -1.26 -4.75 113.62 107.07 1qbg n SER 139 Ca -0.02 -1.97 -0.23 0.00 -0.26 0.00 0.00 58.87 56.40 1qbg n SER 139 Cb 0.22 -0.22 -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 -1.55 2.44 -0.05 4.33 1.02 0.40 -4.99 119.74 121.34 1qbg s LYS 140 Ca 0.38 -1.42 0.04 0.00 0.02 0.00 0.00 55.97 54.98 1qbg s LYS 140 Cb 0.22 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1qbg s LYS 140 CO 0.31 0.24 -0.16 0.15 -0.92 0.00 0.00 175.35 174.97 1qbg s LYS 141 N -3.79 1.75 0.05 1.68 1.02 -0.74 -1.20 119.74 118.50 1qbg s LYS 141 Ca 0.35 -0.55 0.09 0.00 0.02 0.00 0.00 55.97 55.88 1qbg s LYS 141 Cb -0.05 -1.49 -0.03 0.00 -0.52 0.00 0.00 37.83 35.74 1qbg s LYS 141 CO 0.22 0.18 -0.24 0.00 -0.92 0.00 0.00 175.35 174.59 1qbg s ALA 142 N 0.20 2.06 -0.01 5.17 0.00 -0.89 -0.71 121.76 127.59 1qbg s ALA 142 Ca -0.07 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1qbg s ALA 142 Cb -0.12 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 1qbg s ALA 142 CO 0.03 0.48 -0.05 0.08 0.00 0.00 0.00 175.76 176.29 1qbg s VAL 143 N -0.82 0.42 -0.21 0.00 1.01 -0.49 -1.40 120.40 118.91 1qbg s VAL 143 Ca 0.10 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1qbg s VAL 143 Cb -0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1qbg s VAL 143 CO 0.02 0.12 0.06 -0.76 0.00 0.00 0.00 175.10 174.54 1qbg s LEU 144 N -0.07 3.57 -0.33 3.92 1.43 -1.26 -1.17 118.68 124.77 1qbg s LEU 144 Ca 0.01 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.97 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 0.07 0.08 -0.55 0.23 0.00 0.00 176.35 176.17 1qbg s SER 145 N 1.00 5.20 0.12 2.29 0.15 0.48 -0.11 113.70 122.83 1qbg s SER 145 Ca 0.04 -1.14 0.10 0.00 0.70 0.00 0.00 55.95 55.65 1qbg s SER 145 Cb -0.14 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1qbg s SER 145 CO 0.03 -0.30 -0.23 -0.63 1.20 0.00 0.00 173.24 173.31 1qbg s ILE 146 N 1.38 2.55 0.06 6.45 1.01 0.51 -2.14 121.20 131.01 1qbg s ILE 146 Ca -0.02 -1.62 0.07 0.00 0.00 0.00 0.00 60.65 59.08 1qbg s ILE 146 Cb -0.19 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 1qbg s ILE 146 CO 0.02 0.10 -0.20 0.42 0.00 0.00 0.00 174.94 175.28 1qbg s THR 147 N -1.10 1.62 0.18 2.92 -4.23 -1.16 -0.39 115.64 113.49 1qbg s THR 147 Ca 0.16 -1.28 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1qbg s THR 147 Cb -0.10 -1.43 -0.05 0.00 1.34 0.00 0.00 72.50 72.26 1qbg s THR 147 CO 0.08 0.10 0.04 0.42 -0.54 0.00 0.00 174.62 174.73 1qbg s THR 148 N -0.92 0.46 -0.12 3.99 -4.23 -0.14 -0.20 115.64 114.48 1qbg s THR 148 Ca 0.06 -1.97 0.12 0.00 -1.18 0.00 0.00 61.69 58.72 1qbg s THR 148 Cb -0.09 -2.23 -0.24 0.00 1.34 0.00 0.00 72.50 71.28 1qbg s THR 148 CO 0.02 -0.34 0.37 0.61 -0.54 0.00 0.00 174.62 174.75 1qbg n GLY 149 N -0.25 -0.91 3.89 3.99 0.00 -1.26 -2.20 105.19 108.45 1qbg n GLY 149 Ca -0.04 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.38 1.60 0.76 -0.02 0.00 -1.26 -4.15 107.32 98.87 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 0.00 173.10 173.54 1qbg s SER 151 N -4.01 4.93 0.26 1.64 1.04 -1.26 -1.44 113.70 114.86 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 0.33 0.00 0.10 0.00 0.00 66.02 64.67 1qbg s SER 151 CO 0.46 -1.66 1.81 1.23 0.98 0.00 0.00 173.24 176.05 1qbg h GLY 152 N -0.88 0.99 1.67 7.32 0.00 -1.97 -2.52 103.07 107.68 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 0.89 0.00 0.65 0.19 4.64 -1.98 0.37 113.55 118.32 1qbg h SER 153 Ca 0.20 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.44 1qbg h SER 153 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1qbg h SER 153 CO -0.00 0.00 -0.35 0.24 -0.87 0.00 0.00 176.83 175.85 1qbg h MET 154 N 0.00 0.00 -0.56 4.77 2.07 -1.83 -2.93 114.93 116.45 1qbg h MET 154 Ca 0.08 0.00 -0.16 0.00 -2.07 0.00 0.00 59.70 57.54 1qbg h MET 154 Cb 0.31 0.00 -0.10 0.00 -1.87 0.00 0.00 31.60 29.95 1qbg h MET 154 CO -0.00 0.35 0.15 0.66 1.07 0.00 0.00 176.91 179.14 1qbg n TYR 155 N -3.68 1.87 -2.65 -0.22 4.01 0.10 -1.94 117.16 114.65 1qbg n TYR 155 Ca -0.01 -1.21 -0.22 0.00 -0.16 0.00 0.00 57.90 56.31 1qbg n TYR 155 Cb 0.45 -0.57 0.06 0.00 -0.31 0.00 0.00 39.34 38.96 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 -1.53 5.02 0.55 7.72 1.04 -1.06 -2.64 113.70 122.80 1qbg s SER 156 Ca 0.50 -0.17 0.26 0.00 0.48 0.00 0.00 55.95 57.03 1qbg s SER 156 Cb 0.41 -0.56 1.46 0.00 0.10 0.00 0.00 66.02 67.43 1qbg s SER 156 CO 0.10 -1.35 2.02 -0.07 0.98 0.00 0.00 173.24 174.92 1qbg h LEU 157 N -0.08 0.00 -2.55 2.42 3.38 -1.88 0.55 115.31 117.15 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 -4.17 2.40 -2.41 1.13 3.00 -1.26 -4.71 117.38 111.36 1qbg n GLN 158 Ca 0.07 -1.98 -0.34 0.00 -0.01 0.00 0.00 57.00 54.74 1qbg n GLN 158 Cb 0.51 -1.31 -0.02 0.00 0.00 0.00 0.00 30.24 29.42 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 -1.03 2.42 0.47 1.08 0.00 0.19 -4.94 107.32 105.51 1qbg s GLY 159 Ca 0.26 0.56 0.20 0.00 0.00 0.00 0.00 44.72 45.73 1qbg s GLY 159 CO 0.19 0.88 1.96 1.19 0.00 0.00 0.00 173.10 177.32 1qbg h ILE 160 N 1.27 0.79 0.00 0.90 6.09 -1.80 -1.70 117.51 123.06 1qbg h ILE 160 Ca -0.49 -0.08 -0.04 0.00 -1.37 0.00 0.00 64.86 62.88 1qbg h ILE 160 Cb 1.22 0.54 -0.01 0.00 0.47 0.00 0.00 36.82 39.04 1qbg h ILE 160 CO 0.59 0.04 -0.77 0.45 -3.07 0.00 0.00 178.15 175.39 1qbg h HIS 161 N 0.23 0.00 0.00 2.19 3.86 -1.73 -3.51 115.15 116.19 1qbg h HIS 161 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1qbg h HIS 161 Cb 0.86 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.33 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 1.20 0.56 3.69 2.45 0.00 -0.64 -4.96 105.19 107.49 1qbg n GLY 162 Ca -0.00 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.11 6.45 0.51 1.61 2.15 -1.24 -3.85 116.67 122.18 1qbg s ASP 163 Ca 0.00 2.72 0.29 0.00 0.43 0.00 0.00 52.55 55.99 1qbg s ASP 163 Cb 0.00 -2.56 1.34 0.00 -0.30 0.00 0.00 42.92 41.39 1qbg s ASP 163 CO 0.00 -0.99 2.00 -0.03 -0.17 0.00 0.00 175.17 175.98 1qbg h MET 164 N 8.62 0.00 -0.28 4.34 1.85 -1.82 -2.70 114.93 124.95 1qbg h MET 164 Ca -0.46 0.00 -0.02 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 33.23 1qbg h MET 164 CO 0.95 0.13 0.10 -0.91 -0.40 0.00 0.00 176.91 176.77 1qbg h ASN 165 N 0.00 0.35 0.24 1.39 2.35 -1.90 -1.28 115.58 116.73 1qbg h ASN 165 Ca -0.00 -0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.53 1qbg h ASN 165 Cb 0.48 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1qbg h ASN 165 CO 0.02 0.33 -0.74 0.58 -1.65 0.00 0.00 177.43 175.97 1qbg h VAL 166 N 0.39 1.37 -0.25 2.81 2.07 -1.88 -2.60 116.25 118.16 1qbg h VAL 166 Ca 0.10 -2.14 -0.17 0.00 0.82 0.00 0.00 66.70 65.31 1qbg h VAL 166 Cb 0.10 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1qbg h VAL 166 CO -0.01 0.65 -0.51 0.40 0.02 0.00 0.00 177.57 178.11 1qbg h ILE 167 N 0.29 1.30 0.00 4.57 2.04 -1.46 -3.15 117.51 121.09 1qbg h ILE 167 Ca -0.03 -1.72 -0.08 0.00 1.00 0.00 0.00 64.86 64.03 1qbg h ILE 167 Cb 1.32 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1qbg h ILE 167 CO 0.13 0.55 -0.37 -0.07 0.00 0.00 0.00 178.15 178.38 1qbg h LEU 168 N 0.56 0.00 -0.25 1.44 3.38 -1.28 -3.37 115.31 115.79 1qbg h LEU 168 Ca 0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1qbg h LEU 168 Cb 1.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 1qbg h LEU 168 CO 0.11 0.37 -0.33 -0.25 0.09 0.00 0.00 178.44 178.43 1qbg h TRP 169 N 0.00 -0.92 -0.16 1.13 2.91 -1.42 -0.81 115.95 116.67 1qbg h TRP 169 Ca -0.00 0.05 0.05 0.00 1.13 0.00 0.00 58.89 60.11 1qbg h TRP 169 Cb 1.09 0.44 -0.01 0.00 -0.51 0.00 0.00 29.16 30.18 1qbg h TRP 169 CO 0.00 -0.40 0.13 -1.35 -1.03 0.00 0.00 178.44 175.80 1qbg h PRO 170 N -0.34 0.00 0.00 2.65 0.11 -1.74 -0.78 132.00 131.90 1qbg h PRO 170 Ca 0.13 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 1qbg h PRO 170 Cb 0.55 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1qbg h PRO 170 CO -0.44 0.00 -0.51 0.82 -0.21 0.00 0.00 178.00 177.67 1qbg h ILE 171 N 0.00 0.52 0.00 4.15 2.04 -1.67 -2.95 117.51 119.61 1qbg h ILE 171 Ca 0.08 -1.52 -0.05 0.00 1.00 0.00 0.00 64.86 64.36 1qbg h ILE 171 Cb 0.35 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 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 -1.16 -1.76 115.11 117.77 1qbg h GLN 172 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1qbg h GLN 172 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1qbg h GLN 172 CO -0.06 0.25 -0.85 0.45 -0.67 0.00 0.00 178.83 177.96 1qbg n SER 173 N -4.17 1.67 0.04 1.46 2.88 -0.30 -1.84 113.62 113.37 1qbg n SER 173 Ca -0.02 0.28 0.05 0.00 -1.33 0.00 0.00 58.87 57.85 1qbg n SER 173 Cb 0.31 -0.70 0.46 0.00 -0.75 0.00 0.00 64.21 63.53 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 -0.85 0.48 0.00 0.46 0.00 -1.55 -0.32 103.07 101.29 1qbg h GLY 174 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1qbg h GLY 174 CO 0.00 0.17 -0.74 1.39 0.00 0.00 0.00 176.54 177.36 1qbg n ILE 175 N -4.49 1.16 0.35 2.60 5.41 -1.04 -4.34 119.36 119.02 1qbg n ILE 175 Ca 0.02 0.22 -0.14 0.00 1.00 0.00 0.00 62.75 63.85 1qbg n ILE 175 Cb 0.07 -2.13 -0.07 0.00 -0.71 0.00 0.00 39.64 36.80 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 -0.74 -0.79 -1.15 1.39 3.38 -1.47 -3.23 115.31 112.69 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 0.74 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1qbg h LEU 176 CO 0.00 -0.41 -0.41 -0.74 0.09 0.00 0.00 178.44 176.97 1qbg h HIS 177 N -1.25 0.00 -0.13 1.13 2.76 -1.31 -2.48 115.15 113.88 1qbg h HIS 177 Ca -0.10 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.11 1qbg h HIS 177 Cb 0.72 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1qbg h HIS 177 CO 0.00 0.41 0.09 0.35 -1.30 0.00 0.00 177.93 177.49 1qbg h PHE 178 N 0.00 0.00 -0.01 5.26 3.04 -1.14 0.12 116.94 124.22 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 0.76 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.27 1qbg h PHE 178 CO 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 178.31 176.12 1qbg n GLY 180 N 1.29 1.76 3.42 0.00 0.00 0.42 -1.47 105.19 110.60 1qbg n GLY 180 Ca 0.14 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 -1.20 -1.15 -3.46 1.61 3.72 -0.96 -3.00 117.46 113.02 1qbg n PHE 181 Ca 0.00 0.41 -0.43 0.00 -0.05 0.00 0.00 57.45 57.37 1qbg n PHE 181 Cb 0.00 -1.89 -0.06 0.00 -0.94 0.00 0.00 39.48 36.59 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 -2.11 2.98 -0.04 -1.08 -0.21 -0.34 -4.38 119.66 114.49 1qbg s GLN 182 Ca 0.65 -2.13 -0.30 0.00 0.02 0.00 0.00 55.36 53.60 1qbg s GLN 182 Cb -0.42 -4.14 -0.04 0.00 1.00 0.00 0.00 33.01 29.41 1qbg s GLN 182 CO 0.58 -1.25 1.31 0.08 -2.12 0.00 0.00 175.29 173.89 1qbg s VAL 183 N 0.74 3.98 0.43 1.09 1.01 -1.26 -2.09 120.40 124.31 1qbg s VAL 183 Ca 0.11 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1qbg s VAL 183 Cb -0.20 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1qbg s VAL 183 CO -0.03 -0.02 0.61 -0.76 0.00 0.00 0.00 175.10 174.90 1qbg s LEU 184 N 2.47 3.65 0.16 3.92 1.43 -0.49 -0.48 118.68 129.33 1qbg s LEU 184 Ca 0.60 -0.15 -0.34 0.00 -1.03 0.00 0.00 54.13 53.21 1qbg s LEU 184 Cb -0.28 -2.82 -0.15 0.00 0.03 0.00 0.00 46.19 42.98 1qbg s LEU 184 CO 0.24 -0.76 1.43 -0.62 0.23 0.00 0.00 176.35 176.87 1qbg n GLU 185 N -1.95 1.73 -2.30 1.70 1.02 -1.26 -4.64 120.64 114.93 1qbg n GLU 185 Ca 0.05 0.62 -0.40 0.00 -0.02 0.00 0.00 57.16 57.41 1qbg n GLU 185 Cb 0.59 -2.31 -0.03 0.00 -0.02 0.00 0.00 31.44 29.67 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 0.40 4.47 -0.60 3.49 0.04 -1.26 -4.67 135.00 136.87 1qbg s PRO 186 Ca 0.78 1.99 -0.21 0.00 0.04 0.00 0.00 61.00 63.59 1qbg s PRO 186 Cb -0.77 -3.10 0.07 0.00 0.04 0.00 0.00 34.50 30.74 1qbg s PRO 186 CO 0.44 -0.00 0.83 -1.14 0.04 0.00 0.00 177.00 177.17 1qbg s GLN 187 N -1.66 3.13 -0.21 4.56 2.00 0.84 -4.99 119.66 123.32 1qbg s GLN 187 Ca 0.47 -0.89 -0.10 0.00 -2.00 0.00 0.00 55.36 52.85 1qbg s GLN 187 Cb -0.35 -4.19 -0.05 0.00 0.80 0.00 0.00 33.01 29.22 1qbg s GLN 187 CO 0.46 -1.58 0.13 -0.51 -0.50 0.00 0.00 175.29 173.29 1qbg s LEU 188 N 3.40 4.12 -0.38 3.68 1.43 -1.26 -0.36 118.68 129.31 1qbg s LEU 188 Ca 0.19 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1qbg s LEU 188 Cb -0.19 -2.08 0.11 0.00 0.03 0.00 0.00 46.19 44.06 1qbg s LEU 188 CO 0.11 0.13 0.11 -0.89 0.23 0.00 0.00 176.35 176.04 1qbg s THR 189 N 0.64 2.10 0.54 5.49 2.01 0.48 -4.98 115.64 121.91 1qbg s THR 189 Ca 0.07 -2.42 -0.16 0.00 0.31 0.00 0.00 61.69 59.49 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 -0.67 1.00 -0.31 -0.69 0.00 0.00 174.62 173.96 1qbg s TYR 190 N 0.73 3.40 -0.51 4.92 2.02 -1.26 -0.96 117.35 125.68 1qbg s TYR 190 Ca 0.12 1.46 -0.13 0.00 -0.37 0.00 0.00 57.07 58.15 1qbg s TYR 190 Cb -0.20 -2.82 0.02 0.00 -0.40 0.00 0.00 41.96 38.56 1qbg s TYR 190 CO -0.08 -0.52 0.24 -1.13 -1.57 0.00 0.00 175.55 172.49 1qbg n SER 191 N -1.78 -1.41 0.24 2.29 3.41 -0.52 -4.76 113.62 111.09 1qbg n SER 191 Ca 0.07 -0.53 0.16 0.00 -0.26 0.00 0.00 58.87 58.31 1qbg n SER 191 Cb 0.54 -0.64 0.71 0.00 -0.26 0.00 0.00 64.21 64.55 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 0.66 0.00 -0.00 -1.33 6.09 -1.67 -2.03 117.51 119.23 1qbg h ILE 192 Ca -0.29 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 62.86 1qbg h ILE 192 Cb 0.57 1.24 0.00 0.00 0.47 0.00 0.00 36.82 39.11 1qbg h ILE 192 CO 0.22 0.00 -0.06 0.61 -3.07 0.00 0.00 178.15 175.85 1qbg n GLY 193 N -0.20 -1.02 0.02 8.18 0.00 -1.26 -3.54 105.19 107.37 1qbg n GLY 193 Ca 0.00 -0.23 0.01 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 -1.02 0.00 -3.61 1.61 8.25 -0.77 -5.03 115.22 114.65 1qbg n HIS 194 Ca 0.16 -0.47 -0.36 0.00 -0.26 0.00 0.00 57.72 56.79 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 -1.06 5.34 0.82 1.59 -4.23 -1.18 -5.07 115.64 111.85 1qbg s THR 195 Ca 0.04 0.43 -0.14 0.00 -1.18 0.00 0.00 61.69 60.84 1qbg s THR 195 Cb 0.04 -3.57 0.03 0.00 1.34 0.00 0.00 72.50 70.34 1qbg s THR 195 CO 0.00 0.42 0.77 -2.65 -0.54 0.00 0.00 174.62 172.63 1qbg n PRO 196 N 3.45 0.08 0.07 3.99 -0.02 -1.26 -4.70 135.00 136.61 1qbg n PRO 196 Ca -0.14 0.09 -0.12 0.00 -2.02 0.00 0.00 63.50 61.31 1qbg n PRO 196 Cb 0.52 -2.09 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 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 -0.93 -0.51 -0.94 3.55 0.00 -1.99 -0.95 119.26 117.49 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 0.59 -0.11 0.00 0.00 0.00 0.00 17.79 19.58 1qbg h ALA 197 CO 0.42 -0.86 0.53 0.38 0.00 0.00 0.00 179.25 179.72 1qbg h ASP 198 N -0.50 0.64 -0.49 0.00 3.04 -2.00 0.11 116.42 117.20 1qbg h ASP 198 Ca 0.05 0.11 -0.10 0.00 -3.24 0.00 0.00 57.03 53.85 1qbg h ASP 198 Cb 0.58 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.86 1qbg h ASP 198 CO -0.26 0.20 -0.08 0.00 -2.04 0.00 0.00 179.24 177.06 1qbg h ALA 199 N 1.64 0.86 -0.15 4.15 0.00 -1.72 -2.58 119.26 121.46 1qbg h ALA 199 Ca 0.55 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1qbg h ALA 199 Cb 0.89 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1qbg h ALA 199 CO -0.41 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.45 1qbg h ARG 200 N 0.87 0.22 -0.37 0.00 3.08 0.50 -1.48 114.38 117.20 1qbg h ARG 200 Ca 0.14 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 1qbg h ARG 200 Cb 0.62 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1qbg h ARG 200 CO 0.04 0.28 -0.33 0.82 -1.07 0.00 0.00 179.97 179.72 1qbg h ILE 201 N 0.21 1.28 -0.19 2.04 1.08 -0.88 -2.74 117.51 118.31 1qbg h ILE 201 Ca 0.05 -1.49 -0.14 0.00 -0.39 0.00 0.00 64.86 62.90 1qbg h ILE 201 Cb 0.23 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1qbg h ILE 201 CO 0.01 0.49 -0.45 1.56 -0.69 0.00 0.00 178.15 179.07 1qbg h GLN 202 N 0.69 0.48 -0.80 2.37 1.08 -1.11 -1.43 115.11 116.38 1qbg h GLN 202 Ca 0.07 -0.26 -0.04 0.00 -1.45 0.00 0.00 58.65 56.97 1qbg h GLN 202 Cb 0.88 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.28 1qbg h GLN 202 CO 0.08 0.84 0.33 0.82 -0.95 0.00 0.00 178.83 179.95 1qbg h ILE 203 N 0.39 1.26 -0.28 2.54 2.04 -1.17 0.51 117.51 122.81 1qbg h ILE 203 Ca 0.03 -0.80 -0.18 0.00 1.00 0.00 0.00 64.86 64.91 1qbg h ILE 203 Cb 0.94 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1qbg h ILE 203 CO 0.08 0.33 -0.53 -0.07 0.00 0.00 0.00 178.15 177.96 1qbg h LEU 204 N 1.16 0.90 -0.73 1.44 3.38 -1.32 -1.19 115.31 118.96 1qbg h LEU 204 Ca 0.27 -0.48 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 1qbg h LEU 204 Cb 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1qbg h LEU 204 CO -0.02 1.26 -0.22 -0.33 0.09 0.00 0.00 178.44 179.22 1qbg h GLU 205 N 0.63 0.74 -0.39 1.13 4.39 -0.81 -1.61 114.58 118.67 1qbg h GLU 205 Ca 0.02 -0.29 -0.13 0.00 0.34 0.00 0.00 59.36 59.30 1qbg h GLU 205 Cb 1.13 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1qbg h GLU 205 CO 0.12 0.89 -0.27 0.78 -1.16 0.00 0.00 179.01 179.37 1qbg h GLY 206 N 0.97 0.88 0.95 -3.84 0.00 0.14 -1.53 103.07 100.64 1qbg h GLY 206 Ca 0.09 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 1qbg h GLY 206 CO 0.05 0.72 0.16 -0.25 0.00 0.00 0.00 176.54 177.23 1qbg h TRP 207 N 0.69 0.42 -0.70 5.60 -0.00 -0.95 -1.56 115.95 119.45 1qbg h TRP 207 Ca 0.08 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.92 1qbg h TRP 207 Cb 0.81 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.16 29.81 1qbg h TRP 207 CO 0.04 0.36 0.27 0.87 -0.00 0.00 0.00 178.44 179.99 1qbg h LYS 208 N 0.36 1.06 -0.57 2.65 1.57 -1.19 -2.24 116.57 118.22 1qbg h LYS 208 Ca 0.11 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1qbg h LYS 208 Cb 0.08 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1qbg h LYS 208 CO -0.02 0.88 0.36 -0.22 -0.57 0.00 0.00 179.45 179.88 1qbg h LYS 209 N 1.01 0.76 -0.47 3.15 1.63 -1.01 -2.91 116.57 118.73 1qbg h LYS 209 Ca 0.23 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.93 1qbg h LYS 209 Cb 0.22 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1qbg h LYS 209 CO -0.02 0.53 0.11 -0.09 -3.45 0.00 0.00 179.45 176.53 1qbg h ARG 210 N 0.77 0.75 0.00 1.90 2.43 -1.08 -2.48 114.38 116.67 1qbg h ARG 210 Ca 0.21 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1qbg h ARG 210 Cb -0.05 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 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 -4.49 0.00 0.23 3.80 4.77 -0.86 -1.42 117.00 119.03 1qbg n LEU 211 Ca 0.01 0.50 0.15 0.00 -0.03 0.00 0.00 56.01 56.63 1qbg n LEU 211 Cb 0.22 -0.50 0.45 0.00 -2.33 0.00 0.00 43.42 41.27 1qbg n LEU 211 CO 0.39 -0.47 0.91 -0.33 -1.33 0.00 0.00 177.39 176.55 1qbg h GLU 212 N 0.00 0.00 0.00 3.23 5.08 -1.35 -3.35 114.58 118.19 1qbg h GLU 212 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1qbg h GLU 212 Cb 0.02 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.02 1qbg h GLU 212 CO 0.00 0.00 -0.76 0.09 -1.00 0.00 0.00 179.01 177.34 1qbg n ASN 213 N -2.97 0.44 -0.18 1.42 3.02 -0.51 -4.92 115.26 111.55 1qbg n ASN 213 Ca 0.02 -1.95 -0.04 0.00 -0.03 0.00 0.00 54.58 52.58 1qbg n ASN 213 Cb 0.39 -0.17 0.05 0.00 -0.61 0.00 0.00 39.78 39.45 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 6.59 1.00 -0.21 2.41 -0.00 -1.63 -1.52 117.51 124.14 1qbg h ILE 214 Ca -0.22 -0.20 0.06 0.00 -0.00 0.00 0.00 64.86 64.50 1qbg h ILE 214 Cb 1.68 0.36 -0.01 0.00 -0.00 0.00 0.00 36.82 38.85 1qbg h ILE 214 CO 0.01 0.11 0.37 -0.25 -0.00 0.00 0.00 178.15 178.39 1qbg h TRP 215 N 0.59 0.00 -0.02 0.16 2.91 -1.90 0.61 115.95 118.29 1qbg h TRP 215 Ca 0.23 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.25 1qbg h TRP 215 Cb 0.10 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.75 1qbg h TRP 215 CO -0.08 0.00 -0.12 -0.25 -1.03 0.00 0.00 178.44 176.96 1qbg n ASP 216 N -3.37 1.97 -4.81 2.65 8.00 -0.58 -4.96 116.55 115.46 1qbg n ASP 216 Ca 0.03 -1.55 -0.31 0.00 0.71 0.00 0.00 54.79 53.66 1qbg n ASP 216 Cb 0.48 0.10 0.06 0.00 -0.02 0.00 0.00 41.12 41.74 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 -2.16 2.80 -0.08 -1.24 2.02 0.21 -5.04 118.70 115.21 1qbg s GLU 217 Ca 0.30 1.03 -0.13 0.00 0.02 0.00 0.00 54.97 56.18 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 0.39 -1.21 0.33 0.99 0.02 0.00 0.00 175.26 175.79 1qbg s THR 218 N -2.96 5.21 0.69 3.63 2.01 -1.26 -5.08 115.64 117.87 1qbg s THR 218 Ca 0.59 0.66 -0.11 0.00 0.31 0.00 0.00 61.69 63.14 1qbg s THR 218 Cb -0.15 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.72 1qbg s THR 218 CO 0.54 0.51 1.08 -2.16 -0.69 0.00 0.00 174.62 173.89 1qbg s PRO 219 N -0.49 2.96 1.01 4.92 0.05 -1.26 -4.56 135.00 137.63 1qbg s PRO 219 Ca 0.20 0.61 -0.11 0.00 0.05 0.00 0.00 61.00 61.75 1qbg s PRO 219 Cb -0.15 -2.02 0.20 0.00 0.05 0.00 0.00 34.50 32.58 1qbg s PRO 219 CO 0.09 -1.00 1.09 -0.51 0.05 0.00 0.00 177.00 176.72 1qbg s LEU 220 N -5.39 1.94 -0.18 -3.56 1.43 0.37 -4.26 118.68 109.02 1qbg s LEU 220 Ca 0.58 1.79 -0.12 0.00 -1.03 0.00 0.00 54.13 55.34 1qbg s LEU 220 Cb -0.12 -3.99 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 1qbg s LEU 220 CO 0.53 -3.44 0.22 -0.47 0.23 0.00 0.00 176.35 173.43 1qbg s TYR 221 N -2.63 3.43 0.01 0.29 5.04 -1.26 -4.89 117.35 117.33 1qbg s TYR 221 Ca 0.67 0.47 0.03 0.00 -2.44 0.00 0.00 57.07 55.81 1qbg s TYR 221 Cb -0.23 -2.27 -0.01 0.00 0.35 0.00 0.00 41.96 39.80 1qbg s TYR 221 CO 0.60 0.25 -0.11 -0.06 -1.34 0.00 0.00 175.55 174.89 1qbg s PHE 222 N 0.47 0.95 -0.01 4.97 0.08 -1.26 -4.93 117.98 118.24 1qbg s PHE 222 Ca 0.13 -0.25 -0.30 0.00 0.12 0.00 0.00 56.93 56.63 1qbg s PHE 222 Cb -0.12 -0.59 -0.09 0.00 -0.57 0.00 0.00 43.02 41.65 1qbg s PHE 222 CO 0.01 -0.01 2.01 0.00 -0.10 0.00 0.00 175.22 177.13 1qbg n ALA 223 N 2.46 1.55 -1.69 5.36 0.00 -1.26 -4.92 120.51 122.01 1qbg n ALA 223 Ca -0.16 0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 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 7.65 1.56 0.18 0.00 -0.02 -1.26 -4.87 135.00 138.23 1qbg n PRO 224 Ca 0.22 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.40 1qbg n PRO 224 Cb 0.40 -2.37 0.59 0.00 -0.02 0.00 0.00 33.50 32.10 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 1.45 0.00 0.67 2.55 4.64 -1.92 -2.59 113.55 118.35 1qbg h SER 225 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 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 0.57 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.99 1qbg n SER 226 N -2.46 0.28 -0.57 4.97 3.41 -1.26 -2.24 113.62 115.75 1qbg n SER 226 Ca 0.01 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 1qbg n SER 226 Cb 0.20 -0.62 0.40 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.80 1.72 -4.42 1.04 4.77 -0.97 -4.89 117.00 112.44 1qbg n LEU 227 Ca 0.03 -0.69 -0.24 0.00 -0.03 0.00 0.00 56.01 55.09 1qbg n LEU 227 Cb 0.22 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 1qbg n LEU 227 CO 0.18 0.34 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.73 1qbg s PHE 228 N -1.83 2.15 -0.65 -1.77 0.40 -0.95 0.15 117.98 115.48 1qbg s PHE 228 Ca 0.34 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 56.09 1qbg s PHE 228 Cb 0.19 -0.99 0.11 0.00 0.51 0.00 0.00 43.02 42.84 1qbg s PHE 228 CO 0.28 0.56 0.77 -0.51 0.70 0.00 0.00 175.22 177.03 1qbg s ASP 229 N -3.16 6.27 -0.90 1.36 1.01 0.22 -4.71 116.67 116.76 1qbg s ASP 229 Ca 0.25 -1.56 -0.25 0.00 0.71 0.00 0.00 52.55 51.70 1qbg s ASP 229 Cb -0.05 -2.31 0.03 0.00 1.01 0.00 0.00 42.92 41.60 1qbg s ASP 229 CO 0.11 -1.10 1.43 -0.76 0.21 0.00 0.00 175.17 175.07 1qbg s LEU 230 N 2.60 3.35 0.00 1.23 1.43 -1.26 -2.45 118.68 123.58 1qbg s LEU 230 Ca 0.15 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1qbg s LEU 230 Cb -0.21 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.45 1qbg s LEU 230 CO 0.04 -1.73 0.00 -0.46 0.23 0.00 0.00 176.35 174.42 1qbg n ASN 231 N 9.50 0.00 0.23 2.29 6.94 -1.26 -4.98 115.26 127.98 1qbg n ASN 231 Ca 0.22 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.89 1qbg n ASN 231 Cb 0.50 0.00 0.41 0.00 -2.36 0.00 0.00 39.78 38.34 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 -0.26 -2.53 3.57 -1.93 0.50 116.94 116.29 1qbg h PHE 232 Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 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 0.16 0.26 1.96 -2.23 0.00 0.00 178.31 178.46 1qbg h GLN 233 N 0.00 0.00 0.00 1.11 1.08 -1.95 -1.30 115.11 114.04 1qbg h GLN 233 Ca -0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 1qbg h GLN 233 Cb 0.81 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.18 1qbg h GLN 233 CO 0.02 0.00 -2.08 0.00 -0.95 0.00 0.00 178.83 175.82 1qbg n ALA 234 N -2.38 1.61 -0.16 3.87 0.00 -1.03 -5.03 120.51 117.39 1qbg n ALA 234 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1qbg n ALA 234 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 2.17 1.15 3.95 0.00 0.00 0.11 -4.37 105.19 108.20 1qbg n GLY 235 Ca -0.28 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.82 1.61 3.01 -0.87 -4.96 117.46 108.47 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 -3.81 -0.03 0.00 -0.01 0.00 0.00 39.48 35.65 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 -7.13 3.78 0.36 4.37 1.43 -1.23 -4.73 118.68 115.53 1qbg s LEU 237 Ca 0.46 -0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 52.95 1qbg s LEU 237 Cb -0.24 -2.40 -0.12 0.00 0.03 0.00 0.00 46.19 43.46 1qbg s LEU 237 CO 0.86 -0.28 1.28 0.80 0.23 0.00 0.00 176.35 179.24 1qbg n MET 238 N -1.39 2.07 -1.87 1.70 1.56 -1.26 0.69 117.12 118.61 1qbg n MET 238 Ca -0.03 0.73 -0.42 0.00 -0.27 0.00 0.00 57.70 57.71 1qbg n MET 238 Cb 0.59 -2.34 -0.02 0.00 2.15 0.00 0.00 33.22 33.60 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 4.19 0.26 2.12 1.02 0.12 -4.66 119.74 120.83 1qbg s LYS 239 Ca 0.57 2.45 -0.05 0.00 0.02 0.00 0.00 55.97 58.96 1qbg s LYS 239 Cb -0.55 -3.09 0.51 0.00 -0.52 0.00 0.00 37.83 34.18 1qbg s LYS 239 CO 0.61 -0.59 1.61 0.87 -0.92 0.00 0.00 175.35 176.93 1qbg h LYS 240 N 5.82 0.06 -0.49 1.68 1.79 -1.90 0.17 116.57 123.71 1qbg h LYS 240 Ca -0.45 -0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.07 1qbg h LYS 240 Cb 1.21 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.80 1qbg h LYS 240 CO 0.85 0.04 0.21 1.05 -1.08 0.00 0.00 179.45 180.52 1qbg h GLU 241 N 0.06 0.40 -0.56 3.15 9.09 -1.97 -2.03 114.58 122.72 1qbg h GLU 241 Ca 0.47 -0.02 -0.06 0.00 0.05 0.00 0.00 59.36 59.79 1qbg h GLU 241 Cb 0.85 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 27.83 1qbg h GLU 241 CO -0.78 0.26 0.09 0.28 0.05 0.00 0.00 179.01 178.92 1qbg h VAL 242 N 0.41 1.24 0.28 -1.06 2.07 -1.07 -2.65 116.25 115.47 1qbg h VAL 242 Ca 0.23 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1qbg h VAL 242 Cb 0.19 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1qbg h VAL 242 CO -0.20 0.34 -0.21 1.56 0.02 0.00 0.00 177.57 179.08 1qbg h GLN 243 N 0.84 -0.47 -0.18 1.57 4.20 -0.44 -2.49 115.11 118.13 1qbg h GLN 243 Ca 0.18 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.95 1qbg h GLN 243 Cb 0.37 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 1qbg h GLN 243 CO 0.01 -0.32 -0.04 -0.44 -0.67 0.00 0.00 178.83 177.37 1qbg h ASP 244 N -0.49 -0.15 0.08 1.46 3.32 -1.37 -1.85 116.42 117.42 1qbg h ASP 244 Ca -0.02 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1qbg h ASP 244 Cb 0.43 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1qbg h ASP 244 CO -0.00 -0.05 0.00 1.21 -1.72 0.00 0.00 179.24 178.67 1qbg n GLU 245 N -5.18 0.15 0.03 3.56 0.00 -1.01 -1.93 120.64 116.26 1qbg n GLU 245 Ca -0.03 0.62 0.11 0.00 0.00 0.00 0.00 57.16 57.86 1qbg n GLU 245 Cb 0.11 -1.96 -0.09 0.00 0.00 0.00 0.00 31.44 29.50 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 -2.27 0.57 -0.23 5.31 -0.58 -0.71 -4.36 120.64 118.37 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 0.05 -1.63 0.49 0.00 -0.57 0.00 0.00 31.44 29.78 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 -1.12 3.49 1.57 -1.19 -1.35 116.57 118.41 1qbg h LYS 247 Ca 0.00 -0.03 -0.33 0.00 -1.87 0.00 0.00 60.65 58.43 1qbg h LYS 247 Cb 0.95 -0.10 -0.18 0.00 0.08 0.00 0.00 32.23 32.98 1qbg h LYS 247 CO 0.00 0.29 0.42 0.27 -0.57 0.00 0.00 179.45 179.86 1qbg n ASN 248 N -4.52 4.35 -4.39 0.86 2.04 -1.26 -4.90 115.26 107.45 1qbg n ASN 248 Ca 0.18 -3.01 -0.30 0.00 -0.44 0.00 0.00 54.58 51.01 1qbg n ASN 248 Cb 0.63 -0.79 -0.14 0.00 -2.53 0.00 0.00 39.78 36.95 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 -2.00 1.77 0.01 -3.83 3.01 -0.51 -5.05 119.74 113.14 1qbg s LYS 249 Ca 0.34 -1.14 -0.19 0.00 -1.01 0.00 0.00 55.97 53.98 1qbg s LYS 249 Cb 0.28 -2.02 -0.27 0.00 -1.01 0.00 0.00 37.83 34.81 1qbg s LYS 249 CO 0.04 0.50 1.05 -0.22 0.51 0.00 0.00 175.35 177.23 1qbg h LYS 250 N 4.46 0.46 -6.18 1.68 3.64 -1.90 -3.47 116.57 115.24 1qbg h LYS 250 Ca -0.48 -0.59 -0.51 0.00 -1.27 0.00 0.00 60.65 57.79 1qbg h LYS 250 Cb 1.15 0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 33.11 1qbg h LYS 250 CO 0.44 1.24 -0.52 -0.06 -2.27 0.00 0.00 179.45 178.27 1qbg s PHE 251 N -2.92 2.92 0.22 1.91 0.08 -1.26 -3.31 117.98 115.61 1qbg s PHE 251 Ca -0.12 -0.23 -0.03 0.00 0.12 0.00 0.00 56.93 56.68 1qbg s PHE 251 Cb 0.03 -1.53 0.05 0.00 -0.57 0.00 0.00 43.02 41.00 1qbg s PHE 251 CO 0.86 0.40 0.30 0.41 -0.10 0.00 0.00 175.22 177.09 1qbg n GLY 252 N -1.20 -0.47 0.10 4.36 0.00 0.78 -4.85 105.19 103.92 1qbg n GLY 252 Ca -0.05 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 43.99 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 0.29 0.00 0.99 3.38 -1.23 -3.42 115.31 115.32 1qbg h LEU 253 Ca -0.10 -0.92 -0.05 0.00 0.09 0.00 0.00 57.88 56.90 1qbg h LEU 253 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1qbg h LEU 253 CO 0.08 1.32 0.02 -1.54 0.09 0.00 0.00 178.44 178.41 1qbg n SER 254 N -4.25 -0.57 -0.16 -0.43 3.41 -1.14 -4.83 113.62 105.64 1qbg n SER 254 Ca -0.16 -1.55 -0.06 0.00 -0.26 0.00 0.00 58.87 56.84 1qbg n SER 254 Cb 0.73 1.00 0.03 0.00 -0.26 0.00 0.00 64.21 65.71 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 1.32 1.04 0.00 -3.33 2.07 -1.94 -1.73 116.25 113.69 1qbg h VAL 255 Ca -0.10 -0.20 -0.17 0.00 0.82 0.00 0.00 66.70 67.06 1qbg h VAL 255 Cb 0.38 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1qbg h VAL 255 CO 0.12 0.11 -0.90 1.23 0.02 0.00 0.00 177.57 178.16 1qbg h GLY 256 N 0.58 0.00 -4.97 2.17 0.00 -1.97 -3.32 103.07 95.57 1qbg h GLY 256 Ca 0.20 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.82 1qbg h GLY 256 CO -0.10 0.00 0.48 1.42 0.00 0.00 0.00 176.54 178.34 1qbg n HIS 257 N -3.23 3.13 0.36 5.60 -0.00 -1.06 -4.65 115.22 115.38 1qbg n HIS 257 Ca -0.02 -2.63 0.14 0.00 -0.00 0.00 0.00 57.72 55.21 1qbg n HIS 257 Cb 0.85 -0.84 0.55 0.00 -0.00 0.00 0.00 29.99 30.55 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 2.97 0.00 -0.40 4.41 2.07 -1.43 0.10 115.15 122.87 1qbg h HIS 258 Ca 0.47 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.89 1qbg h HIS 258 Cb 0.32 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.26 1qbg h HIS 258 CO 1.07 0.00 -0.10 1.28 -3.07 0.00 0.00 177.93 177.12 1qbg n LEU 259 N -2.58 0.13 0.00 6.12 4.77 -1.26 -0.64 117.00 123.54 1qbg n LEU 259 Ca 0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1qbg n LEU 259 Cb 0.28 -2.12 0.00 0.00 -2.33 0.00 0.00 43.42 39.25 1qbg n LEU 259 CO 0.24 -0.79 0.00 0.61 -1.33 0.00 0.00 177.39 176.12 1qbg n GLY 260 N 0.42 0.39 0.00 -0.72 0.00 -1.26 -5.06 105.19 98.96 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 -2.42 1.61 5.02 0.19 -5.07 118.16 117.13 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 6.75 -0.12 4.39 0.01 -1.21 -4.68 113.70 117.84 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 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1qbg s SER 262 CO 0.00 -0.51 0.65 -0.63 0.41 0.00 0.00 173.24 173.17 1qbg s ILE 263 N -1.45 5.05 -0.12 1.44 1.01 -1.26 -0.15 121.20 125.71 1qbg s ILE 263 Ca 0.55 1.31 -0.34 0.00 0.00 0.00 0.00 60.65 62.17 1qbg s ILE 263 Cb -0.28 -3.99 -0.11 0.00 0.01 0.00 0.00 42.46 38.10 1qbg s ILE 263 CO 0.35 0.21 1.95 -2.65 0.00 0.00 0.00 174.94 174.80 1qbg n PRO 264 N 4.20 2.08 -1.60 2.79 -0.02 -1.26 -4.84 135.00 136.35 1qbg n PRO 264 Ca -0.02 0.74 -0.48 0.00 -2.02 0.00 0.00 63.50 61.72 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 5.61 0.84 -3.97 3.45 -2.24 -1.26 -2.16 114.28 114.54 1qbg n THR 265 Ca 0.25 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.53 1qbg n THR 265 Cb 0.31 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 -2.54 0.16 3.42 8.00 -1.26 -4.86 116.55 121.58 1qbg n ASP 266 Ca 0.14 -0.91 0.01 0.00 0.71 0.00 0.00 54.79 54.74 1qbg n ASP 266 Cb 0.26 -3.39 0.29 0.00 -0.02 0.00 0.00 41.12 38.26 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 -1.83 0.04 -0.47 -2.24 -1.24 -1.68 0.21 115.58 108.36 1qbg h ASN 267 Ca -0.60 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.39 1qbg h ASN 267 Cb 1.37 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.41 1qbg h ASN 267 CO 0.67 0.48 0.00 0.00 -1.29 0.00 0.00 177.43 177.29 1qbg n GLN 268 N -4.01 3.18 0.00 6.67 1.13 -1.26 -4.37 117.38 118.72 1qbg n GLN 268 Ca -0.02 -2.56 0.00 0.00 -1.94 0.00 0.00 57.00 52.48 1qbg n GLN 268 Cb 0.48 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 29.19 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 0.63 0.00 -4.70 5.09 5.41 -1.08 -4.64 119.36 120.07 1qbg n ILE 269 Ca 0.20 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.71 1qbg n ILE 269 Cb 0.70 -0.27 -0.16 0.00 -0.71 0.00 0.00 39.64 39.20 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 -1.35 1.38 0.96 0.38 -0.14 0.71 -4.50 119.74 117.19 1qbg s LYS 270 Ca 0.00 -0.53 -0.16 0.00 -1.36 0.00 0.00 55.97 53.93 1qbg s LYS 270 Cb 0.00 -1.27 0.19 0.00 -1.68 0.00 0.00 37.83 35.07 1qbg s LYS 270 CO 0.00 0.26 1.29 0.00 -0.76 0.00 0.00 175.35 176.14 1qbg s ALA 271 N -0.12 2.16 0.00 5.17 0.00 -1.26 -4.57 121.76 123.14 1qbg s ALA 271 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1qbg s ALA 271 Cb -0.08 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1qbg s ALA 271 CO 0.01 -2.42 0.00 0.54 0.00 0.00 0.00 175.76 173.88 1qbg n ARG 272 N -3.78 0.00 0.00 0.00 3.00 -1.26 -5.00 116.66 109.61 1qbg n ARG 272 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.98 1qbg n ARG 272 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.06 1qbg n ARG 272 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80