#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg s LEU 2 N 0.00 -1.15 0.19 -0.89 2.96 -1.26 -5.06 118.68 113.46 2qbg s LEU 2 Ca 0.00 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2qbg s LEU 2 Cb 0.00 1.62 -0.05 0.00 0.50 0.00 0.00 46.19 48.26 2qbg s LEU 2 CO 0.00 -0.18 0.03 0.00 -1.32 0.00 0.00 176.35 174.88 2qbg s GLN 3 N 2.48 1.16 0.34 1.98 -2.07 -1.26 -4.63 119.66 117.65 2qbg s GLN 3 Ca 0.16 -1.58 -0.29 0.00 -1.82 0.00 0.00 55.36 51.84 2qbg s GLN 3 Cb -0.05 -0.21 -0.11 0.00 -1.09 0.00 0.00 33.01 31.56 2qbg s GLN 3 CO -0.19 -0.18 1.47 -2.14 -1.32 0.00 0.00 175.29 172.93 2qbg s PRO 4 N -3.96 4.17 0.45 9.60 0.02 -1.26 -4.91 135.00 139.11 2qbg s PRO 4 Ca 0.27 2.48 0.25 0.00 0.02 0.00 0.00 61.00 64.02 2qbg s PRO 4 Cb 0.07 -3.01 0.86 0.00 0.02 0.00 0.00 34.50 32.43 2qbg s PRO 4 CO 0.06 -0.48 1.80 -0.22 -0.33 0.00 0.00 177.00 177.82 2qbg h LYS 5 N 3.65 0.00 -2.89 5.54 3.11 -2.04 -3.45 116.57 120.49 2qbg h LYS 5 Ca -0.49 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.26 2qbg h LYS 5 Cb 1.23 0.00 -0.18 0.00 -1.00 0.00 0.00 32.23 32.28 2qbg h LYS 5 CO 0.69 0.19 -0.11 1.03 -2.81 0.00 0.00 179.45 178.43 2qbg s ARG 6 N -3.54 0.87 -0.19 1.90 0.52 -1.26 -5.16 118.95 112.09 2qbg s ARG 6 Ca 0.02 -0.23 -0.08 0.00 -0.52 0.00 0.00 55.73 54.92 2qbg s ARG 6 Cb 0.09 0.39 0.08 0.00 0.52 0.00 0.00 34.95 36.03 2qbg s ARG 6 CO 0.63 -0.28 0.42 0.95 0.02 0.00 0.00 175.30 177.04 2qbg s THR 7 N -1.98 -0.42 -0.19 0.02 -4.23 -1.26 -5.02 115.64 102.56 2qbg s THR 7 Ca -0.08 0.14 0.22 0.00 -1.18 0.00 0.00 61.69 60.79 2qbg s THR 7 Cb -0.02 -0.65 0.22 0.00 1.34 0.00 0.00 72.50 73.40 2qbg s THR 7 CO 0.01 0.06 1.68 1.17 -0.54 0.00 0.00 174.62 177.00 2qbg n LYS 8 N 4.99 0.15 -3.92 3.99 4.81 -1.26 -4.59 118.16 122.33 2qbg n LYS 8 Ca -0.14 0.63 -0.10 0.00 -0.87 0.00 0.00 58.31 57.83 2qbg n LYS 8 Cb 0.52 -1.97 -0.12 0.00 0.02 0.00 0.00 35.03 33.48 2qbg n LYS 8 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2qbg s PHE 9 N -3.56 0.11 0.05 5.64 0.08 -1.26 -5.07 117.98 113.97 2qbg s PHE 9 Ca -0.02 -0.23 -0.16 0.00 0.12 0.00 0.00 56.93 56.65 2qbg s PHE 9 Cb 0.07 -0.09 -0.24 0.00 -0.57 0.00 0.00 43.02 42.19 2qbg s PHE 9 CO 0.21 -0.16 1.16 0.00 -0.10 0.00 0.00 175.22 176.33 2qbg h ARG 10 N 5.05 0.62 -5.88 0.44 2.47 -2.04 -3.47 114.38 111.57 2qbg h ARG 10 Ca -0.29 -0.68 -0.53 0.00 -1.26 0.00 0.00 59.98 57.22 2qbg h ARG 10 Cb 1.21 0.19 -0.24 0.00 -1.65 0.00 0.00 29.97 29.48 2qbg h ARG 10 CO 0.43 1.27 -0.82 0.15 0.56 0.00 0.00 179.97 181.56 2qbg s LYS 11 N -3.27 1.15 0.12 0.04 1.02 -1.26 -4.87 119.74 112.68 2qbg s LYS 11 Ca -0.11 -0.98 0.09 0.00 0.02 0.00 0.00 55.97 55.00 2qbg s LYS 11 Cb 0.06 -1.28 -0.04 0.00 -0.52 0.00 0.00 37.83 36.04 2qbg s LYS 11 CO 0.90 0.31 -0.18 -1.64 -0.92 0.00 0.00 175.35 173.82 2qbg s MET 12 N -1.46 1.77 0.71 1.68 -1.94 -1.26 -5.07 119.30 113.73 2qbg s MET 12 Ca 0.05 -1.21 -0.14 0.00 -1.71 0.00 0.00 55.69 52.68 2qbg s MET 12 Cb -0.09 -2.10 0.03 0.00 2.01 0.00 0.00 34.83 34.68 2qbg s MET 12 CO 0.03 0.47 1.15 -1.01 -0.01 0.00 0.00 175.02 175.65 2qbg s HIS 13 N -1.19 2.31 0.11 -0.03 3.76 -1.26 -4.76 115.29 114.23 2qbg s HIS 13 Ca 0.18 1.59 -0.31 0.00 -0.15 0.00 0.00 55.06 56.37 2qbg s HIS 13 Cb -0.10 -3.30 -0.10 0.00 1.11 0.00 0.00 32.58 30.19 2qbg s HIS 13 CO 0.10 -2.15 1.59 -0.22 -0.85 0.00 0.00 174.74 173.21 2qbg h LYS 14 N -0.32 -0.63 0.00 1.40 3.64 -2.05 -3.47 116.57 115.13 2qbg h LYS 14 Ca -0.47 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2qbg h LYS 14 Cb 1.27 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2qbg h LYS 14 CO 0.51 -0.42 0.00 0.41 -2.27 0.00 0.00 179.45 177.68 2qbg n GLY 15 N -1.47 0.91 3.66 5.01 0.00 -1.26 -4.99 105.19 107.05 2qbg n GLY 15 Ca -0.07 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.23 2qbg n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbg s ARG 16 N 0.00 0.44 0.67 1.61 1.70 -1.26 -5.19 118.95 116.93 2qbg s ARG 16 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 55.73 55.01 2qbg s ARG 16 Cb 0.00 0.15 0.10 0.00 -0.57 0.00 0.00 34.95 34.63 2qbg s ARG 16 CO 0.00 -0.20 0.93 -0.80 -1.08 0.00 0.00 175.30 174.15 2qbg s ASN 17 N -3.05 4.62 -0.17 -2.89 -0.87 -1.26 -5.06 114.94 106.26 2qbg s ASN 17 Ca 0.15 -0.30 0.11 0.00 -1.57 0.00 0.00 52.86 51.26 2qbg s ASN 17 Cb 0.04 -0.22 0.27 0.00 -0.02 0.00 0.00 41.25 41.33 2qbg s ASN 17 CO -0.03 -1.66 1.25 0.54 -2.57 0.00 0.00 177.10 174.63 2qbg n ARG 18 N -2.68 0.76 -0.72 -0.60 5.12 -1.26 -5.16 116.66 112.11 2qbg n ARG 18 Ca 0.13 -1.49 0.07 0.00 -1.93 0.00 0.00 57.85 54.63 2qbg n ARG 18 Cb 0.60 0.17 -0.02 0.00 -1.16 0.00 0.00 32.46 32.05 2qbg n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbg n GLY 19 N -0.65 -0.83 2.78 -0.13 0.00 -1.26 -4.97 105.19 100.13 2qbg n GLY 19 Ca -0.16 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.44 2qbg n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbg n LEU 20 N -2.47 -5.63 0.00 0.99 7.99 -1.07 -4.80 117.00 112.01 2qbg n LEU 20 Ca -0.01 1.83 0.00 0.00 -0.01 0.00 0.00 56.01 57.83 2qbg n LEU 20 Cb 0.56 -2.67 0.00 0.00 -0.11 0.00 0.00 43.42 41.20 2qbg n LEU 20 CO 0.01 -3.63 0.00 0.00 -1.51 0.00 0.00 177.39 172.26 2qbg n ALA 21 N 2.01 0.00 -0.06 -1.18 0.00 -0.41 -4.91 120.51 115.96 2qbg n ALA 21 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.05 2qbg n ALA 21 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 2qbg n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qbg n GLN 22 N 0.00 0.29 -1.95 0.00 1.13 -1.26 -4.79 117.38 110.81 2qbg n GLN 22 Ca 0.00 0.10 -0.34 0.00 -1.94 0.00 0.00 57.00 54.82 2qbg n GLN 22 Cb 0.00 -1.09 -0.05 0.00 0.11 0.00 0.00 30.24 29.21 2qbg n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qbg n GLY 23 N 2.49 1.75 0.10 1.08 0.00 -1.26 -4.70 105.19 104.64 2qbg n GLY 23 Ca -0.24 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 2qbg n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qbg h THR 24 N 5.61 0.00 -2.82 2.61 2.02 -1.87 -2.31 112.91 116.15 2qbg h THR 24 Ca 0.32 -0.27 -0.60 0.00 0.77 0.00 0.00 66.41 66.62 2qbg h THR 24 Cb 0.86 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2qbg h THR 24 CO 1.45 0.00 -0.49 1.51 0.37 0.00 0.00 175.52 178.35 2qbg s ASP 25 N -3.64 6.33 0.56 4.18 -4.77 -1.26 -4.74 116.67 113.32 2qbg s ASP 25 Ca -0.03 0.23 -0.21 0.00 -3.30 0.00 0.00 52.55 49.24 2qbg s ASP 25 Cb 0.00 -1.93 -0.04 0.00 -1.09 0.00 0.00 42.92 39.86 2qbg s ASP 25 CO 0.09 0.14 1.36 0.68 0.70 0.00 0.00 175.17 178.14 2qbg s VAL 26 N -1.57 2.02 -0.09 2.11 -7.23 -1.26 -4.96 120.40 109.41 2qbg s VAL 26 Ca 0.35 0.02 0.15 0.00 -1.81 0.00 0.00 61.98 60.68 2qbg s VAL 26 Cb -0.12 -3.01 0.30 0.00 0.56 0.00 0.00 36.38 34.11 2qbg s VAL 26 CO 0.28 -0.00 1.16 -1.20 -0.31 0.00 0.00 175.10 175.03 2qbg n SER 27 N -1.14 0.09 0.00 4.85 7.64 -1.26 -4.92 113.62 118.88 2qbg n SER 27 Ca 0.11 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.95 2qbg n SER 27 Cb 0.45 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2qbg n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2qbg n PHE 28 N -0.15 0.00 0.00 1.43 3.72 -1.26 -5.11 117.46 116.09 2qbg n PHE 28 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2qbg n PHE 28 Cb 0.91 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 2qbg n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qbg n GLY 29 N -0.47 0.81 0.00 1.37 0.00 -1.26 -4.95 105.19 100.69 2qbg n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbg n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qbg n SER 30 N 0.00 0.00 0.00 1.61 3.41 0.13 -4.76 113.62 114.01 2qbg n SER 30 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qbg n SER 30 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qbg n SER 30 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qbg n PHE 31 N 0.00 0.00 -0.32 7.33 3.01 -1.05 -1.72 117.46 124.71 2qbg n PHE 31 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 2qbg n PHE 31 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 2qbg n PHE 31 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qbg n GLY 32 N 0.00 -2.01 3.84 1.37 0.00 -1.26 -4.27 105.19 102.87 2qbg n GLY 32 Ca 0.00 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 2qbg n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbg s LEU 33 N -5.18 4.13 0.26 0.99 1.43 -1.09 -3.14 118.68 116.08 2qbg s LEU 33 Ca 0.00 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.42 2qbg s LEU 33 Cb 0.00 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 2qbg s LEU 33 CO 0.00 0.26 0.13 -0.75 0.23 0.00 0.00 176.35 176.23 2qbg s LYS 34 N -1.87 2.71 0.00 1.70 2.47 -0.86 -1.41 119.74 122.47 2qbg s LYS 34 Ca 0.25 -1.19 0.00 0.00 -1.56 0.00 0.00 55.97 53.48 2qbg s LYS 34 Cb -0.12 -2.42 0.00 0.00 -1.46 0.00 0.00 37.83 33.82 2qbg s LYS 34 CO 0.17 0.38 0.25 0.00 0.16 0.00 0.00 175.35 176.30 2qbg n ALA 35 N -1.09 0.00 0.00 3.13 0.00 0.17 -2.82 120.51 119.90 2qbg n ALA 35 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2qbg n ALA 35 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2qbg n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbg n VAL 36 N -0.43 0.00 -4.08 0.00 0.31 -1.26 -3.42 118.33 109.46 2qbg n VAL 36 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2qbg n VAL 36 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 2qbg n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2qbg s GLY 37 N -0.57 0.49 -0.02 2.92 0.00 -1.24 -4.81 107.32 104.08 2qbg s GLY 37 Ca 0.00 -1.00 -0.17 0.00 0.00 0.00 0.00 44.72 43.54 2qbg s GLY 37 CO 0.00 -1.09 0.49 1.09 0.00 0.00 0.00 173.10 173.59 2qbg s ARG 38 N -2.83 4.16 0.00 2.90 1.70 -1.26 -3.42 118.95 120.19 2qbg s ARG 38 Ca -0.01 0.53 0.00 0.00 -0.47 0.00 0.00 55.73 55.78 2qbg s ARG 38 Cb -0.01 -3.31 0.00 0.00 -0.57 0.00 0.00 34.95 31.07 2qbg s ARG 38 CO -0.05 0.47 0.00 0.41 -1.08 0.00 0.00 175.30 175.06 2qbg n GLY 39 N 2.33 1.76 3.64 3.88 0.00 -0.64 -4.91 105.19 111.25 2qbg n GLY 39 Ca -0.10 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 2qbg n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbg s ARG 40 N 2.64 0.62 -0.20 1.61 1.70 -1.26 -1.62 118.95 122.44 2qbg s ARG 40 Ca 0.00 1.00 -0.14 0.00 -0.47 0.00 0.00 55.73 56.12 2qbg s ARG 40 Cb 0.00 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 2qbg s ARG 40 CO 0.00 -0.12 0.30 -0.51 -1.08 0.00 0.00 175.30 173.89 2qbg s LEU 41 N 1.33 4.17 0.00 -1.89 1.43 -0.74 -4.75 118.68 118.22 2qbg s LEU 41 Ca -0.08 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2qbg s LEU 41 Cb -0.05 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.82 2qbg s LEU 41 CO -0.15 0.01 0.21 0.35 0.23 0.00 0.00 176.35 177.00 2qbg n THR 42 N 4.11 0.00 0.00 5.49 -2.24 -1.26 0.13 114.28 120.51 2qbg n THR 42 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2qbg n THR 42 Cb 0.52 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2qbg n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbg n ALA 43 N -0.06 0.00 0.15 6.98 0.00 -1.11 -4.34 120.51 122.13 2qbg n ALA 43 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2qbg n ALA 43 Cb 0.04 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.53 2qbg n ALA 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qbg h ARG 44 N 0.00 0.00 0.02 0.00 2.43 -1.85 -3.13 114.38 111.86 2qbg h ARG 44 Ca 0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 2qbg h ARG 44 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2qbg h ARG 44 CO 0.00 0.42 -0.69 1.96 -1.51 0.00 0.00 179.97 180.15 2qbg h GLN 45 N 0.00 0.43 -0.54 0.20 4.20 -1.91 -1.45 115.11 116.03 2qbg h GLN 45 Ca -0.01 -0.49 0.09 0.00 0.06 0.00 0.00 58.65 58.30 2qbg h GLN 45 Cb 1.33 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 29.22 2qbg h GLN 45 CO 0.05 1.15 0.36 -0.84 -0.67 0.00 0.00 178.83 178.89 2qbg h ILE 46 N -0.09 0.91 0.22 2.54 3.07 -1.86 0.19 117.51 122.49 2qbg h ILE 46 Ca -0.09 -0.13 -0.31 0.00 1.55 0.00 0.00 64.86 65.89 2qbg h ILE 46 Cb 1.41 0.51 0.03 0.00 -0.27 0.00 0.00 36.82 38.50 2qbg h ILE 46 CO 0.13 0.07 -1.38 -0.08 -1.05 0.00 0.00 178.15 175.84 2qbg h GLU 47 N 0.36 0.46 -0.37 0.16 4.22 -1.54 -1.66 114.58 116.22 2qbg h GLU 47 Ca 0.25 -0.79 0.02 0.00 0.08 0.00 0.00 59.36 58.92 2qbg h GLU 47 Cb 0.49 0.29 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2qbg h GLU 47 CO -0.06 1.38 0.25 0.00 -2.18 0.00 0.00 179.01 178.40 2qbg h ALA 48 N 0.12 1.84 0.17 2.92 0.00 -0.16 -1.05 119.26 123.11 2qbg h ALA 48 Ca -0.25 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 2qbg h ALA 48 Cb 2.04 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 19.74 2qbg h ALA 48 CO 0.23 0.12 -1.10 0.00 0.00 0.00 0.00 179.25 178.50 2qbg h ALA 49 N 1.78 -0.10 -0.27 0.00 0.00 -0.71 -3.23 119.26 116.73 2qbg h ALA 49 Ca 0.15 -0.76 0.06 0.00 0.00 0.00 0.00 54.91 54.36 2qbg h ALA 49 Cb 0.09 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2qbg h ALA 49 CO -0.03 0.53 -0.12 -0.09 0.00 0.00 0.00 179.25 179.54 2qbg h ARG 50 N -0.09 -0.07 -0.51 0.00 2.43 -0.52 0.34 114.38 115.96 2qbg h ARG 50 Ca -0.19 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2qbg h ARG 50 Cb 1.85 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 31.36 2qbg h ARG 50 CO 0.21 -0.05 0.15 0.00 -1.51 0.00 0.00 179.97 178.77 2qbg h ARG 51 N -0.07 0.30 -0.47 0.20 3.08 -1.34 0.72 114.38 116.80 2qbg h ARG 51 Ca 0.14 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 2qbg h ARG 51 Cb 0.29 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2qbg h ARG 51 CO -0.32 0.20 0.08 0.00 -1.07 0.00 0.00 179.97 178.85 2qbg h ALA 52 N 1.36 1.26 0.71 0.04 0.00 -1.38 0.35 119.26 121.60 2qbg h ALA 52 Ca 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2qbg h ALA 52 Cb 0.30 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qbg h ALA 52 CO -0.28 0.51 -0.34 1.98 0.00 0.00 0.00 179.25 181.12 2qbg h MET 53 N 0.70 -0.92 0.05 0.00 -1.53 0.20 -3.32 114.93 110.11 2qbg h MET 53 Ca 0.15 0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.48 2qbg h MET 53 Cb 0.32 0.21 -0.02 0.00 -0.55 0.00 0.00 31.60 31.56 2qbg h MET 53 CO 0.00 -0.61 -0.21 1.15 0.14 0.00 0.00 176.91 177.38 2qbg h THR 54 N -1.12 0.00 -0.02 -0.77 2.02 0.44 -3.11 112.91 110.35 2qbg h THR 54 Ca -0.10 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.51 2qbg h THR 54 Cb 0.73 0.00 0.10 0.00 -1.74 0.00 0.00 68.15 67.24 2qbg h THR 54 CO 0.16 0.00 1.63 -1.14 0.37 0.00 0.00 175.52 176.54 2qbg n ARG 55 N -3.62 0.61 0.00 6.66 0.63 0.10 -0.35 116.66 120.69 2qbg n ARG 55 Ca -0.03 -1.40 0.00 0.00 -0.92 0.00 0.00 57.85 55.50 2qbg n ARG 55 Cb 0.16 -2.77 0.00 0.00 0.45 0.00 0.00 32.46 30.30 2qbg n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qbg n ALA 56 N 9.19 0.00 1.69 5.13 0.00 -1.19 -4.79 120.51 130.54 2qbg n ALA 56 Ca 0.48 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.07 2qbg n ALA 56 Cb 0.42 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.63 2qbg n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbg n VAL 57 N -0.61 0.00 0.00 0.00 0.31 0.53 -4.91 118.33 113.65 2qbg n VAL 57 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2qbg n VAL 57 Cb 0.00 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 2qbg n VAL 57 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qbg n LYS 58 N -0.79 0.00 0.00 5.55 4.01 -1.12 -2.77 118.16 123.03 2qbg n LYS 58 Ca 0.20 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.00 2qbg n LYS 58 Cb 0.21 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.73 2qbg n LYS 58 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2qbg n ARG 59 N 0.00 0.00 -1.52 1.97 0.00 -1.26 -4.89 116.66 110.95 2qbg n ARG 59 Ca 0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 57.85 57.37 2qbg n ARG 59 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 2qbg n ARG 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qbg n GLN 60 N -1.00 0.77 0.00 -0.14 10.64 -1.11 -4.74 117.38 121.80 2qbg n GLN 60 Ca 0.00 0.27 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 2qbg n GLN 60 Cb 0.00 -1.59 0.00 0.00 -0.86 0.00 0.00 30.24 27.79 2qbg n GLN 60 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qbg n GLY 61 N 1.73 -0.79 3.43 2.61 0.00 0.01 -4.66 105.19 107.53 2qbg n GLY 61 Ca 0.15 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.25 2qbg n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbg s LYS 62 N -1.28 1.55 0.09 1.61 2.20 -1.26 -4.83 119.74 117.82 2qbg s LYS 62 Ca 0.00 -1.74 0.03 0.00 -0.36 0.00 0.00 55.97 53.90 2qbg s LYS 62 Cb 0.00 -1.38 -0.04 0.00 -1.51 0.00 0.00 37.83 34.90 2qbg s LYS 62 CO 0.00 0.18 -0.08 0.42 -0.36 0.00 0.00 175.35 175.51 2qbg s ILE 63 N -2.81 0.79 0.09 5.43 1.09 -1.26 -3.33 121.20 121.20 2qbg s ILE 63 Ca 0.28 -1.73 0.02 0.00 -1.10 0.00 0.00 60.65 58.12 2qbg s ILE 63 Cb -0.00 -1.44 -0.04 0.00 -1.06 0.00 0.00 42.46 39.92 2qbg s ILE 63 CO 0.12 -0.70 -0.07 0.26 -0.10 0.00 0.00 174.94 174.45 2qbg s TRP 64 N -2.91 0.90 -0.39 3.97 0.51 -0.39 -4.93 118.94 115.69 2qbg s TRP 64 Ca 0.07 -0.82 0.01 0.00 -2.12 0.00 0.00 56.10 53.24 2qbg s TRP 64 Cb 0.00 -0.51 0.14 0.00 -0.81 0.00 0.00 33.47 32.29 2qbg s TRP 64 CO -0.02 -0.11 0.23 0.42 -0.51 0.00 0.00 176.95 176.96 2qbg s ILE 65 N -3.18 0.65 -2.00 2.03 1.01 -1.26 -2.44 121.20 116.02 2qbg s ILE 65 Ca 0.08 -2.10 0.23 0.00 0.00 0.00 0.00 60.65 58.86 2qbg s ILE 65 Cb 0.02 -1.47 0.65 0.00 0.01 0.00 0.00 42.46 41.67 2qbg s ILE 65 CO -0.03 -0.97 1.75 0.54 0.00 0.00 0.00 174.94 176.23 2qbg n ARG 66 N 3.77 0.75 -4.24 2.79 5.12 -0.35 -4.75 116.66 119.74 2qbg n ARG 66 Ca 0.12 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.72 2qbg n ARG 66 Cb 0.37 -1.47 -0.08 0.00 -1.16 0.00 0.00 32.46 30.11 2qbg n ARG 66 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2qbg s VAL 67 N -2.00 4.21 -0.01 1.55 -7.23 -1.24 -4.95 120.40 110.72 2qbg s VAL 67 Ca 0.34 -0.63 -0.06 0.00 -1.81 0.00 0.00 61.98 59.83 2qbg s VAL 67 Cb 0.16 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 34.20 2qbg s VAL 67 CO 0.26 0.34 0.12 0.12 -0.31 0.00 0.00 175.10 175.63 2qbg s PHE 68 N -1.13 -0.00 0.00 2.82 5.36 -1.26 -5.11 117.98 118.65 2qbg s PHE 68 Ca 0.21 0.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 2qbg s PHE 68 Cb -0.12 -0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.54 2qbg s PHE 68 CO 0.12 -0.20 0.46 -0.35 -1.46 0.00 0.00 175.22 173.78 2qbg n PRO 69 N 2.01 0.00 0.00 10.12 -0.04 -1.26 -4.43 135.00 141.39 2qbg n PRO 69 Ca -0.19 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2qbg n PRO 69 Cb 0.57 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 2qbg n PRO 69 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qbg n ASP 70 N -0.93 0.00 -4.61 3.54 5.68 -1.25 -4.12 116.55 114.86 2qbg n ASP 70 Ca 0.00 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.91 2qbg n ASP 70 Cb 0.00 -0.66 -0.10 0.00 -1.14 0.00 0.00 41.12 39.22 2qbg n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2qbg s LYS 71 N 0.00 4.01 0.00 0.11 2.20 -1.01 -5.00 119.74 120.05 2qbg s LYS 71 Ca 0.00 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 2qbg s LYS 71 Cb 0.00 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2qbg s LYS 71 CO 0.00 -0.15 0.26 -2.30 -0.36 0.00 0.00 175.35 172.80 2qbg n PRO 72 N 4.94 0.00 -1.61 4.03 -0.02 -1.26 -0.15 135.00 140.93 2qbg n PRO 72 Ca -0.12 0.12 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 2qbg n PRO 72 Cb 0.52 -0.76 -0.01 0.00 -0.02 0.00 0.00 33.50 33.23 2qbg n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2qbg n ILE 73 N -0.37 -4.29 -2.61 4.25 2.08 -1.26 -3.58 119.36 113.58 2qbg n ILE 73 Ca 0.00 0.38 -0.24 0.00 0.56 0.00 0.00 62.75 63.46 2qbg n ILE 73 Cb 0.00 -3.88 0.12 0.00 -0.75 0.00 0.00 39.64 35.13 2qbg n ILE 73 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2qbg s THR 74 N -0.09 2.06 -0.10 1.39 -4.23 -1.26 -3.42 115.64 109.99 2qbg s THR 74 Ca -0.04 -0.61 -0.15 0.00 -1.18 0.00 0.00 61.69 59.71 2qbg s THR 74 Cb 0.00 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.43 2qbg s THR 74 CO 0.10 0.00 0.38 -1.61 -0.54 0.00 0.00 174.62 172.95 2qbg s GLU 75 N -5.17 0.56 -0.18 3.99 2.02 -0.90 -4.81 118.70 114.21 2qbg s GLU 75 Ca 0.67 0.29 -0.09 0.00 0.02 0.00 0.00 54.97 55.87 2qbg s GLU 75 Cb -0.04 0.26 -0.05 0.00 0.10 0.00 0.00 34.13 34.40 2qbg s GLU 75 CO 0.45 -0.11 0.11 0.21 0.02 0.00 0.00 175.26 175.94 2qbg s LYS 76 N -0.37 3.99 1.05 1.61 2.20 -1.26 -2.69 119.74 124.26 2qbg s LYS 76 Ca -0.05 -0.24 -0.24 0.00 -0.36 0.00 0.00 55.97 55.07 2qbg s LYS 76 Cb -0.03 -3.32 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 2qbg s LYS 76 CO 0.02 0.38 -0.95 -2.30 -0.36 0.00 0.00 175.35 172.13 2qbg n PRO 77 N 3.26 -0.65 0.00 4.03 -0.02 -1.26 -5.00 135.00 135.36 2qbg n PRO 77 Ca -0.17 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2qbg n PRO 77 Cb 0.53 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 2qbg n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2qbg n LEU 78 N 1.45 0.00 -4.58 2.45 0.00 -1.26 -4.39 117.00 110.67 2qbg n LEU 78 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 56.01 55.81 2qbg n LEU 78 Cb 0.71 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 44.03 2qbg n LEU 78 CO 0.47 0.00 1.22 0.00 0.00 0.00 0.00 177.39 179.07 2qbg s ALA 79 N -2.64 0.87 -0.16 1.96 0.00 -1.26 -4.80 121.76 115.73 2qbg s ALA 79 Ca 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 51.96 50.20 2qbg s ALA 79 Cb 0.00 -4.69 0.05 0.00 0.00 0.00 0.00 23.12 18.48 2qbg s ALA 79 CO 0.00 -6.40 0.38 0.54 0.00 0.00 0.00 175.76 170.28 2qbg s VAL 80 N 15.20 -0.02 1.12 0.00 0.11 -1.26 -5.16 120.40 130.39 2qbg s VAL 80 Ca 0.78 0.08 -0.19 0.00 -2.93 0.00 0.00 61.98 59.72 2qbg s VAL 80 Cb -0.04 -0.56 0.11 0.00 -1.53 0.00 0.00 36.38 34.35 2qbg s VAL 80 CO 0.16 0.03 0.01 -1.14 -3.33 0.00 0.00 175.10 170.84 2qbg n ARG 81 N 3.90 -1.59 -3.43 1.54 3.00 -1.26 -4.98 116.66 113.83 2qbg n ARG 81 Ca -0.21 -0.45 -0.21 0.00 -0.00 0.00 0.00 57.85 56.98 2qbg n ARG 81 Cb 0.55 -1.70 -0.00 0.00 0.00 0.00 0.00 32.46 31.31 2qbg n ARG 81 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2qbg s MET 82 N -3.45 3.23 -0.38 -0.14 -1.94 -1.26 -4.76 119.30 110.60 2qbg s MET 82 Ca 0.56 -0.71 -0.26 0.00 -1.71 0.00 0.00 55.69 53.57 2qbg s MET 82 Cb -0.12 -2.74 0.04 0.00 2.01 0.00 0.00 34.83 34.02 2qbg s MET 82 CO 0.66 0.07 0.53 0.41 -0.01 0.00 0.00 175.02 176.68 2qbg n GLY 83 N -1.73 -0.52 1.75 -0.03 0.00 -1.26 -4.95 105.19 98.46 2qbg n GLY 83 Ca -0.02 1.02 -0.01 0.00 0.00 0.00 0.00 46.02 47.01 2qbg n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbg n LYS 84 N 0.01 0.52 0.00 1.61 4.76 -1.26 -5.11 118.16 118.68 2qbg n LYS 84 Ca -0.02 -1.79 0.00 0.00 -2.87 0.00 0.00 58.31 53.64 2qbg n LYS 84 Cb 0.56 -0.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 2qbg n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbg n GLY 85 N -0.19 2.59 3.76 0.72 0.00 -1.26 -5.02 105.19 105.79 2qbg n GLY 85 Ca -0.09 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 2qbg n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbg s LYS 86 N -3.60 3.49 0.00 1.61 2.20 -1.26 -5.00 119.74 117.17 2qbg s LYS 86 Ca 0.00 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 2qbg s LYS 86 Cb 0.00 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 2qbg s LYS 86 CO 0.00 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 174.55 2qbg n GLY 87 N 0.60 -3.14 3.54 5.54 0.00 -1.26 -5.01 105.19 105.45 2qbg n GLY 87 Ca 0.08 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 2qbg n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qbg s ASN 88 N -1.92 4.39 -0.40 1.61 0.02 -1.10 -4.81 114.94 112.75 2qbg s ASN 88 Ca 0.00 -0.10 -0.27 0.00 -1.02 0.00 0.00 52.86 51.47 2qbg s ASN 88 Cb 0.00 -1.03 -0.07 0.00 0.02 0.00 0.00 41.25 40.17 2qbg s ASN 88 CO 0.00 0.35 2.35 1.33 0.02 0.00 0.00 177.10 181.15 2qbg n VAL 89 N 2.23 0.08 -0.05 1.60 0.24 -1.26 -2.12 118.33 119.04 2qbg n VAL 89 Ca -0.18 -0.64 -0.19 0.00 -2.04 0.00 0.00 64.34 61.29 2qbg n VAL 89 Cb 0.53 -2.62 -0.13 0.00 -1.47 0.00 0.00 33.84 30.15 2qbg n VAL 89 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2qbg h GLU 90 N 17.54 0.09 0.00 7.34 4.57 -1.85 -3.49 114.58 138.78 2qbg h GLU 90 Ca -0.30 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2qbg h GLU 90 Cb 1.26 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2qbg h GLU 90 CO 1.09 1.07 0.00 2.48 -1.18 0.00 0.00 179.01 182.47 2qbg n TYR 91 N -4.30 0.00 -3.75 0.92 4.11 -1.25 -5.12 117.16 107.77 2qbg n TYR 91 Ca -0.23 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.44 2qbg n TYR 91 Cb 0.70 0.00 -0.18 0.00 -0.00 0.00 0.00 39.34 39.87 2qbg n TYR 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2qbg s TRP 92 N -1.53 0.60 0.29 -3.48 0.52 -1.23 -4.35 118.94 109.75 2qbg s TRP 92 Ca 0.00 -0.14 0.03 0.00 0.02 0.00 0.00 56.10 56.01 2qbg s TRP 92 Cb 0.00 -0.77 -0.03 0.00 -1.15 0.00 0.00 33.47 31.52 2qbg s TRP 92 CO 0.00 -0.33 0.44 0.54 0.02 0.00 0.00 176.95 177.63 2qbg s VAL 93 N 2.00 5.09 -0.45 4.03 0.11 0.79 -2.76 120.40 129.20 2qbg s VAL 93 Ca 0.05 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 2qbg s VAL 93 Cb -0.12 -3.82 0.13 0.00 -1.53 0.00 0.00 36.38 31.03 2qbg s VAL 93 CO -0.05 -0.40 0.22 0.00 -3.33 0.00 0.00 175.10 171.54 2qbg s ALA 94 N -2.13 2.58 -0.08 1.54 0.00 0.35 -2.40 121.76 121.62 2qbg s ALA 94 Ca 0.37 -2.78 -0.35 0.00 0.00 0.00 0.00 51.96 49.19 2qbg s ALA 94 Cb -0.09 -1.98 -0.13 0.00 0.00 0.00 0.00 23.12 20.92 2qbg s ALA 94 CO 0.32 -2.00 1.78 1.28 0.00 0.00 0.00 175.76 177.13 2qbg n LEU 95 N 3.51 3.08 -4.24 0.00 4.32 -1.26 -1.79 117.00 120.61 2qbg n LEU 95 Ca 0.06 1.02 -0.14 0.00 -0.02 0.00 0.00 56.01 56.93 2qbg n LEU 95 Cb 0.34 -1.32 -0.10 0.00 -1.62 0.00 0.00 43.42 40.72 2qbg n LEU 95 CO 0.27 -0.22 -0.41 0.27 -1.22 0.00 0.00 177.39 176.07 2qbg s ILE 96 N 3.27 1.17 0.18 -0.08 -4.36 -0.64 -4.96 121.20 115.78 2qbg s ILE 96 Ca 0.91 -2.01 -0.04 0.00 -0.26 0.00 0.00 60.65 59.25 2qbg s ILE 96 Cb -0.78 -1.79 -0.03 0.00 1.25 0.00 0.00 42.46 41.11 2qbg s ILE 96 CO 0.52 -0.71 0.19 0.00 0.24 0.00 0.00 174.94 175.18 2qbg s GLN 97 N -3.61 1.16 0.16 0.37 0.00 -1.26 -1.62 119.66 114.85 2qbg s GLN 97 Ca 0.15 -1.41 -0.32 0.00 -0.00 0.00 0.00 55.36 53.77 2qbg s GLN 97 Cb 0.02 0.31 -0.17 0.00 0.00 0.00 0.00 33.01 33.17 2qbg s GLN 97 CO 0.01 -0.39 0.97 -2.30 0.00 0.00 0.00 175.29 173.57 2qbg n PRO 98 N -0.22 0.67 0.00 9.60 -0.02 -1.22 -1.03 135.00 142.79 2qbg n PRO 98 Ca -0.03 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2qbg n PRO 98 Cb 0.64 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 2qbg n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qbg n GLY 99 N 1.84 2.59 3.70 -1.23 0.00 -1.26 -1.29 105.19 109.54 2qbg n GLY 99 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2qbg n GLY 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbg n LYS 100 N -2.00 2.17 -3.36 1.61 0.00 -0.19 -4.08 118.16 112.32 2qbg n LYS 100 Ca 0.00 0.76 -0.43 0.00 0.00 0.00 0.00 58.31 58.64 2qbg n LYS 100 Cb 0.00 -2.36 -0.09 0.00 0.00 0.00 0.00 35.03 32.58 2qbg n LYS 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2qbg s VAL 101 N -1.00 5.14 0.00 3.15 0.11 -0.87 0.43 120.40 127.36 2qbg s VAL 101 Ca 0.56 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2qbg s VAL 101 Cb -0.57 -4.04 0.00 0.00 -1.53 0.00 0.00 36.38 30.24 2qbg s VAL 101 CO 0.61 -0.45 0.34 0.18 -3.33 0.00 0.00 175.10 172.46 2qbg n LEU 102 N 5.46 0.29 0.00 2.54 7.99 -0.50 -4.09 117.00 128.70 2qbg n LEU 102 Ca -0.09 0.61 -0.02 0.00 -0.01 0.00 0.00 56.01 56.50 2qbg n LEU 102 Cb 0.47 -0.42 -0.00 0.00 -0.11 0.00 0.00 43.42 43.35 2qbg n LEU 102 CO 0.45 -0.42 -0.01 -1.22 -1.51 0.00 0.00 177.39 174.68 2qbg n TYR 103 N -1.77 0.05 -3.64 -1.77 4.02 -1.26 -1.22 117.16 111.58 2qbg n TYR 103 Ca 0.00 -0.16 -0.10 0.00 -0.01 0.00 0.00 57.90 57.62 2qbg n TYR 103 Cb 0.00 -0.01 -0.07 0.00 -0.02 0.00 0.00 39.34 39.24 2qbg n TYR 103 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2qbg s GLU 104 N -2.11 0.65 0.26 -0.72 2.02 -1.02 -2.68 118.70 115.10 2qbg s GLU 104 Ca 0.01 0.84 0.08 0.00 0.02 0.00 0.00 54.97 55.92 2qbg s GLU 104 Cb 0.00 0.28 -0.05 0.00 0.10 0.00 0.00 34.13 34.46 2qbg s GLU 104 CO 0.00 -0.09 -0.11 -1.64 0.02 0.00 0.00 175.26 173.44 2qbg s MET 105 N 0.57 1.53 0.14 1.61 -1.94 -1.26 -1.27 119.30 118.69 2qbg s MET 105 Ca -0.01 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.23 2qbg s MET 105 Cb -0.05 -1.31 0.00 0.00 2.01 0.00 0.00 34.83 35.48 2qbg s MET 105 CO -0.06 0.14 0.00 -3.47 -0.01 0.00 0.00 175.02 171.63 2qbg n ASP 106 N -0.55 -0.82 -2.19 3.03 2.03 -1.21 0.19 116.55 117.03 2qbg n ASP 106 Ca -0.06 0.27 -0.08 0.00 0.52 0.00 0.00 54.79 55.44 2qbg n ASP 106 Cb 0.62 0.95 -0.11 0.00 -0.72 0.00 0.00 41.12 41.86 2qbg n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qbg n GLY 107 N 0.08 2.26 3.62 0.27 0.00 -1.26 -4.71 105.19 105.45 2qbg n GLY 107 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 2qbg n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbg s VAL 108 N 1.74 0.00 0.27 1.61 0.11 -1.26 -0.81 120.40 122.07 2qbg s VAL 108 Ca 0.42 -0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.19 2qbg s VAL 108 Cb 0.20 -0.99 -0.14 0.00 -1.53 0.00 0.00 36.38 33.91 2qbg s VAL 108 CO -0.00 -0.00 0.99 -2.65 -3.33 0.00 0.00 175.10 170.11 2qbg n PRO 109 N 2.65 1.22 0.23 1.54 -0.02 -1.26 -4.58 135.00 134.78 2qbg n PRO 109 Ca -0.14 0.43 0.15 0.00 -2.02 0.00 0.00 63.50 61.92 2qbg n PRO 109 Cb 0.55 -1.78 0.82 0.00 -0.02 0.00 0.00 33.50 33.07 2qbg n PRO 109 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2qbg h GLU 110 N 2.07 0.00 -0.07 -0.52 9.09 -1.98 0.29 114.58 123.47 2qbg h GLU 110 Ca -0.39 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 58.93 2qbg h GLU 110 Cb 1.35 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.44 2qbg h GLU 110 CO 0.61 0.00 -0.36 1.49 0.05 0.00 0.00 179.01 180.80 2qbg h GLU 111 N 0.00 0.13 0.00 1.06 4.57 -1.99 0.29 114.58 118.64 2qbg h GLU 111 Ca 0.06 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2qbg h GLU 111 Cb 0.30 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2qbg h GLU 111 CO -0.00 0.48 -0.26 1.25 -1.18 0.00 0.00 179.01 179.30 2qbg h LEU 112 N 0.12 0.00 -0.98 1.64 7.12 -0.89 -2.84 115.31 119.47 2qbg h LEU 112 Ca 0.01 0.00 0.18 0.00 0.13 0.00 0.00 57.88 58.21 2qbg h LEU 112 Cb 0.70 0.00 -0.18 0.00 -0.53 0.00 0.00 40.66 40.65 2qbg h LEU 112 CO 0.05 0.59 -0.29 0.00 -0.13 0.00 0.00 178.44 178.67 2qbg n ALA 113 N -3.17 0.13 0.35 1.25 0.00 0.54 0.18 120.51 119.79 2qbg n ALA 113 Ca -0.04 1.05 -0.18 0.00 0.00 0.00 0.00 53.44 54.28 2qbg n ALA 113 Cb 0.13 -0.59 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 2qbg n ALA 113 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qbg h ARG 114 N 0.00 -1.02 -3.87 0.00 2.43 -1.09 -1.95 114.38 108.89 2qbg h ARG 114 Ca 0.43 0.07 -0.72 0.00 -0.81 0.00 0.00 59.98 58.96 2qbg h ARG 114 Cb 0.68 0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.41 2qbg h ARG 114 CO -1.00 -0.68 3.00 -1.91 -1.51 0.00 0.00 179.97 177.86 2qbg n GLU 115 N -5.42 3.02 0.00 0.20 0.00 0.13 -2.57 120.64 115.99 2qbg n GLU 115 Ca -0.13 -2.73 0.00 0.00 0.00 0.00 0.00 57.16 54.30 2qbg n GLU 115 Cb 0.46 -3.21 0.00 0.00 0.00 0.00 0.00 31.44 28.69 2qbg n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbg n ALA 116 N 5.62 0.00 0.25 4.31 0.00 -0.91 -4.75 120.51 125.03 2qbg n ALA 116 Ca 0.51 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.10 2qbg n ALA 116 Cb 0.38 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.31 2qbg n ALA 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2qbg h PHE 117 N 0.00 0.00 -0.02 0.00 0.04 -1.08 -2.76 116.94 113.12 2qbg h PHE 117 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2qbg h PHE 117 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2qbg h PHE 117 CO 0.00 0.03 -0.02 -0.22 -0.60 0.00 0.00 178.31 177.51 2qbg h LYS 118 N 0.00 0.04 -0.11 1.51 3.64 -1.80 0.01 116.57 119.87 2qbg h LYS 118 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2qbg h LYS 118 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2qbg h LYS 118 CO 0.00 0.55 0.00 1.28 -2.27 0.00 0.00 179.45 179.01 2qbg n LEU 119 N -4.81 0.11 0.00 5.20 4.77 -1.05 -2.63 117.00 118.59 2qbg n LEU 119 Ca -0.08 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 55.81 2qbg n LEU 119 Cb 0.28 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2qbg n LEU 119 CO 0.34 0.03 -0.31 0.00 -1.33 0.00 0.00 177.39 176.12 2qbg n ALA 120 N -0.29 2.54 0.10 -1.18 0.00 -0.80 -4.51 120.51 116.37 2qbg n ALA 120 Ca 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.29 2qbg n ALA 120 Cb 0.03 0.26 0.31 0.00 0.00 0.00 0.00 19.45 20.05 2qbg n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbg n ALA 121 N -3.60 0.84 0.00 0.00 0.00 -0.08 0.26 120.51 117.94 2qbg n ALA 121 Ca -0.06 0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 2qbg n ALA 121 Cb 0.25 -0.98 0.23 0.00 0.00 0.00 0.00 19.45 18.95 2qbg n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbg h ALA 122 N 1.64 1.20 -1.84 0.00 0.00 -1.76 -3.11 119.26 115.39 2qbg h ALA 122 Ca 0.00 -0.29 -0.73 0.00 0.00 0.00 0.00 54.91 53.89 2qbg h ALA 122 Cb 0.24 -0.14 -0.33 0.00 0.00 0.00 0.00 17.79 17.57 2qbg h ALA 122 CO 0.00 0.52 0.37 1.63 0.00 0.00 0.00 179.25 181.76 2qbg n LYS 123 N -4.18 4.19 -3.63 0.00 4.76 0.14 -4.96 118.16 114.47 2qbg n LYS 123 Ca 0.00 -4.66 -0.11 0.00 -2.87 0.00 0.00 58.31 50.67 2qbg n LYS 123 Cb 0.34 -2.41 -0.07 0.00 -1.84 0.00 0.00 35.03 31.05 2qbg n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qbg s LEU 124 N -3.28 -0.62 0.00 -0.35 1.43 -1.18 -4.46 118.68 110.23 2qbg s LEU 124 Ca 0.38 1.17 -0.25 0.00 -1.03 0.00 0.00 54.13 54.40 2qbg s LEU 124 Cb 0.14 2.17 -0.14 0.00 0.03 0.00 0.00 46.19 48.39 2qbg s LEU 124 CO -0.02 -0.20 1.05 -0.65 0.23 0.00 0.00 176.35 176.76 2qbg h PRO 125 N 4.79 -0.81 -6.91 1.29 0.11 -1.92 -3.45 132.00 125.11 2qbg h PRO 125 Ca -0.29 0.05 -0.53 0.00 0.11 0.00 0.00 66.00 65.35 2qbg h PRO 125 Cb 1.17 0.18 0.09 0.00 0.11 0.00 0.00 31.00 32.55 2qbg h PRO 125 CO 0.09 -0.51 0.72 0.42 -0.21 0.00 0.00 178.00 178.50 2qbg s ILE 126 N -4.48 2.36 -0.56 4.15 1.09 -1.26 -4.94 121.20 117.56 2qbg s ILE 126 Ca -0.13 0.36 -0.28 0.00 -1.10 0.00 0.00 60.65 59.49 2qbg s ILE 126 Cb 0.01 -3.23 0.03 0.00 -1.06 0.00 0.00 42.46 38.21 2qbg s ILE 126 CO 0.41 0.08 1.21 -1.59 -0.10 0.00 0.00 174.94 174.95 2qbg s LYS 127 N -1.91 3.53 0.54 2.79 -2.85 -1.26 -4.97 119.74 115.61 2qbg s LYS 127 Ca 0.51 0.33 0.05 0.00 -1.00 0.00 0.00 55.97 55.85 2qbg s LYS 127 Cb -0.43 -4.01 0.05 0.00 -2.06 0.00 0.00 37.83 31.38 2qbg s LYS 127 CO 0.58 -1.66 0.75 0.95 0.10 0.00 0.00 175.35 176.07 2qbg s THR 128 N 4.99 2.59 0.08 3.79 -4.23 -1.22 -3.70 115.64 117.93 2qbg s THR 128 Ca 0.45 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 60.16 2qbg s THR 128 Cb -0.08 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 2qbg s THR 128 CO 0.26 0.00 0.06 1.07 -0.54 0.00 0.00 174.62 175.47 2qbg n THR 129 N -2.25 0.00 -4.17 3.99 5.66 -1.13 -4.93 114.28 111.45 2qbg n THR 129 Ca 0.11 -0.56 -0.30 0.00 -3.05 0.00 0.00 64.05 60.25 2qbg n THR 129 Cb 0.60 0.26 -0.09 0.00 -1.55 0.00 0.00 70.33 69.55 2qbg n THR 129 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2qbg s PHE 130 N -2.22 2.92 0.06 1.09 5.36 -1.26 -2.03 117.98 121.91 2qbg s PHE 130 Ca 0.08 -0.06 -0.03 0.00 -0.96 0.00 0.00 56.93 55.97 2qbg s PHE 130 Cb 0.00 -1.52 -0.03 0.00 -0.34 0.00 0.00 43.02 41.14 2qbg s PHE 130 CO 0.06 0.46 0.02 0.08 -1.46 0.00 0.00 175.22 174.38 2qbg s VAL 131 N -1.27 0.20 0.34 3.12 1.01 -1.19 -4.87 120.40 117.75 2qbg s VAL 131 Ca 0.24 -1.66 0.02 0.00 0.00 0.00 0.00 61.98 60.59 2qbg s VAL 131 Cb -0.11 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2qbg s VAL 131 CO 0.16 -0.92 0.20 0.35 0.00 0.00 0.00 175.10 174.90 2qbg n THR 132 N 0.10 0.00 -0.00 3.92 -2.24 -1.26 -4.02 114.28 110.77 2qbg n THR 132 Ca -0.14 -1.42 -0.13 0.00 -2.27 0.00 0.00 64.05 60.09 2qbg n THR 132 Cb 0.61 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 2qbg n THR 132 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2qbg h LYS 133 N 0.00 -0.06 -3.37 -0.78 3.64 -1.64 -3.40 116.57 110.96 2qbg h LYS 133 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2qbg h LYS 133 Cb 0.81 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2qbg h LYS 133 CO 0.37 0.50 -0.71 2.41 -2.27 0.00 0.00 179.45 179.76 2qbg n THR 134 N -4.83 -9.18 0.23 1.00 -1.04 -1.26 -4.56 114.28 94.65 2qbg n THR 134 Ca -0.09 2.41 0.14 0.00 -2.04 0.00 0.00 64.05 64.47 2qbg n THR 134 Cb 0.30 -4.21 0.70 0.00 -1.82 0.00 0.00 70.33 65.30 2qbg n THR 134 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2qbg h VAL 135 N 2.97 0.00 0.00 12.58 2.07 -2.00 -3.50 116.25 128.37 2qbg h VAL 135 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2qbg h VAL 135 Cb 0.00 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2qbg h VAL 135 CO 0.00 0.00 0.00 0.80 0.02 0.00 0.00 177.57 178.39