#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe s LEU 2 N 0.00 -1.38 0.17 -0.89 2.96 -1.26 -5.07 118.68 113.22 2qbe s LEU 2 Ca 0.00 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2qbe s LEU 2 Cb 0.00 1.82 -0.05 0.00 0.50 0.00 0.00 46.19 48.47 2qbe s LEU 2 CO 0.00 -0.22 0.02 0.00 -1.32 0.00 0.00 176.35 174.83 2qbe s GLN 3 N 2.52 1.09 0.34 1.98 -2.07 -1.26 -4.63 119.66 117.64 2qbe s GLN 3 Ca 0.14 -1.53 -0.29 0.00 -1.82 0.00 0.00 55.36 51.87 2qbe s GLN 3 Cb -0.06 -0.16 -0.11 0.00 -1.09 0.00 0.00 33.01 31.59 2qbe s GLN 3 CO -0.20 -0.17 1.47 -2.14 -1.32 0.00 0.00 175.29 172.93 2qbe s PRO 4 N -3.95 4.18 0.43 9.60 0.02 -1.26 -4.91 135.00 139.10 2qbe s PRO 4 Ca 0.25 2.48 0.23 0.00 0.02 0.00 0.00 61.00 63.97 2qbe s PRO 4 Cb 0.06 -3.01 0.84 0.00 0.02 0.00 0.00 34.50 32.41 2qbe s PRO 4 CO 0.04 -0.47 1.79 -0.22 -0.33 0.00 0.00 177.00 177.81 2qbe h LYS 5 N 3.60 0.00 -3.09 5.54 3.11 -2.04 -3.45 116.57 120.25 2qbe h LYS 5 Ca -0.49 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.26 2qbe h LYS 5 Cb 1.23 0.00 -0.17 0.00 -1.00 0.00 0.00 32.23 32.29 2qbe h LYS 5 CO 0.68 0.25 -0.16 1.03 -2.81 0.00 0.00 179.45 178.44 2qbe s ARG 6 N -3.59 0.86 -0.20 1.90 0.52 -1.26 -5.16 118.95 112.01 2qbe s ARG 6 Ca 0.01 -0.37 -0.08 0.00 -0.52 0.00 0.00 55.73 54.77 2qbe s ARG 6 Cb 0.10 0.38 0.08 0.00 0.52 0.00 0.00 34.95 36.03 2qbe s ARG 6 CO 0.65 -0.28 0.45 0.95 0.02 0.00 0.00 175.30 177.08 2qbe s THR 7 N -2.32 -0.47 -0.05 0.02 -4.23 -1.26 -5.02 115.64 102.31 2qbe s THR 7 Ca -0.06 0.13 0.25 0.00 -1.18 0.00 0.00 61.69 60.83 2qbe s THR 7 Cb -0.01 -0.69 0.25 0.00 1.34 0.00 0.00 72.50 73.39 2qbe s THR 7 CO -0.01 0.05 1.78 0.50 -0.54 0.00 0.00 174.62 176.40 2qbe h LYS 8 N 7.81 0.00 -3.81 3.99 3.64 -2.03 -3.41 116.57 122.76 2qbe h LYS 8 Ca -0.22 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.98 2qbe h LYS 8 Cb 1.13 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.73 2qbe h LYS 8 CO 0.17 0.00 -0.66 -0.06 -2.27 0.00 0.00 179.45 176.63 2qbe s PHE 9 N -3.65 0.14 0.06 1.91 0.08 -1.26 -5.07 117.98 110.18 2qbe s PHE 9 Ca -0.03 -0.29 -0.15 0.00 0.12 0.00 0.00 56.93 56.58 2qbe s PHE 9 Cb 0.07 -0.11 -0.24 0.00 -0.57 0.00 0.00 43.02 42.17 2qbe s PHE 9 CO 0.23 -0.16 1.16 0.00 -0.10 0.00 0.00 175.22 176.35 2qbe h ARG 10 N 5.00 0.63 -5.93 0.44 2.47 -2.04 -3.47 114.38 111.49 2qbe h ARG 10 Ca -0.30 -0.70 -0.53 0.00 -1.26 0.00 0.00 59.98 57.19 2qbe h ARG 10 Cb 1.21 0.20 -0.24 0.00 -1.65 0.00 0.00 29.97 29.49 2qbe h ARG 10 CO 0.43 1.29 -0.82 0.15 0.56 0.00 0.00 179.97 181.57 2qbe s LYS 11 N -3.25 1.16 0.11 0.04 1.02 -1.26 -4.86 119.74 112.70 2qbe s LYS 11 Ca -0.11 -1.00 0.09 0.00 0.02 0.00 0.00 55.97 54.97 2qbe s LYS 11 Cb 0.06 -1.31 -0.04 0.00 -0.52 0.00 0.00 37.83 36.02 2qbe s LYS 11 CO 0.90 0.32 -0.19 -1.64 -0.92 0.00 0.00 175.35 173.81 2qbe s MET 12 N -1.52 1.75 0.72 1.68 -1.94 -1.26 -5.07 119.30 113.67 2qbe s MET 12 Ca 0.05 -1.19 -0.14 0.00 -1.71 0.00 0.00 55.69 52.70 2qbe s MET 12 Cb -0.09 -2.09 0.04 0.00 2.01 0.00 0.00 34.83 34.70 2qbe s MET 12 CO 0.03 0.48 1.16 -1.01 -0.01 0.00 0.00 175.02 175.67 2qbe s HIS 13 N -1.11 2.23 0.11 -0.03 3.76 -1.26 -4.76 115.29 114.24 2qbe s HIS 13 Ca 0.17 1.60 -0.31 0.00 -0.15 0.00 0.00 55.06 56.37 2qbe s HIS 13 Cb -0.10 -3.34 -0.10 0.00 1.11 0.00 0.00 32.58 30.15 2qbe s HIS 13 CO 0.09 -2.28 1.59 -0.22 -0.85 0.00 0.00 174.74 173.07 2qbe h LYS 14 N -0.34 -0.61 0.00 1.40 3.64 -2.05 -3.47 116.57 115.13 2qbe h LYS 14 Ca -0.47 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2qbe h LYS 14 Cb 1.27 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2qbe h LYS 14 CO 0.51 -0.41 0.00 0.41 -2.27 0.00 0.00 179.45 177.69 2qbe n GLY 15 N -1.46 0.95 3.68 5.01 0.00 -1.26 -5.00 105.19 107.11 2qbe n GLY 15 Ca -0.07 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.22 2qbe n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbe s ARG 16 N 0.00 0.53 0.67 1.61 1.70 -1.26 -5.19 118.95 117.01 2qbe s ARG 16 Ca 0.00 -0.30 0.00 0.00 -0.47 0.00 0.00 55.73 54.96 2qbe s ARG 16 Cb 0.00 0.18 0.10 0.00 -0.57 0.00 0.00 34.95 34.66 2qbe s ARG 16 CO 0.00 -0.24 0.93 -0.80 -1.08 0.00 0.00 175.30 174.10 2qbe s ASN 17 N -3.06 4.63 -0.12 -2.89 -0.87 -1.26 -5.06 114.94 106.31 2qbe s ASN 17 Ca 0.15 -0.31 0.09 0.00 -1.57 0.00 0.00 52.86 51.23 2qbe s ASN 17 Cb 0.03 -0.21 0.22 0.00 -0.02 0.00 0.00 41.25 41.28 2qbe s ASN 17 CO -0.03 -1.65 1.19 0.54 -2.57 0.00 0.00 177.10 174.58 2qbe n ARG 18 N -2.67 0.53 -0.79 -0.60 5.12 -1.26 -5.16 116.66 111.82 2qbe n ARG 18 Ca 0.13 -1.42 0.08 0.00 -1.93 0.00 0.00 57.85 54.71 2qbe n ARG 18 Cb 0.60 0.22 -0.03 0.00 -1.16 0.00 0.00 32.46 32.10 2qbe n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbe n GLY 19 N -0.41 -0.97 2.79 -0.13 0.00 -1.26 -4.97 105.19 100.23 2qbe n GLY 19 Ca -0.17 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 2qbe n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbe n LEU 20 N -2.64 -5.73 0.00 0.99 7.99 -1.06 -4.81 117.00 111.75 2qbe n LEU 20 Ca -0.01 1.77 0.00 0.00 -0.01 0.00 0.00 56.01 57.76 2qbe n LEU 20 Cb 0.57 -2.69 0.00 0.00 -0.11 0.00 0.00 43.42 41.20 2qbe n LEU 20 CO 0.01 -3.53 0.00 0.00 -1.51 0.00 0.00 177.39 172.36 2qbe n ALA 21 N 1.89 0.00 -0.06 -1.18 0.00 -0.51 -4.92 120.51 115.74 2qbe n ALA 21 Ca -0.25 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 2qbe n ALA 21 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 2qbe n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qbe n GLN 22 N 0.00 0.27 -1.93 0.00 1.13 -1.26 -4.79 117.38 110.80 2qbe n GLN 22 Ca 0.00 0.09 -0.35 0.00 -1.94 0.00 0.00 57.00 54.80 2qbe n GLN 22 Cb 0.00 -1.07 -0.05 0.00 0.11 0.00 0.00 30.24 29.23 2qbe n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qbe n GLY 23 N 2.57 1.78 0.08 1.08 0.00 -1.26 -4.71 105.19 104.73 2qbe n GLY 23 Ca -0.22 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 44.79 2qbe n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qbe h THR 24 N 5.58 0.00 -2.85 2.61 2.02 -1.87 -2.30 112.91 116.09 2qbe h THR 24 Ca 0.32 -0.21 -0.59 0.00 0.77 0.00 0.00 66.41 66.70 2qbe h THR 24 Cb 0.85 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 2qbe h THR 24 CO 1.46 0.00 -0.46 1.51 0.37 0.00 0.00 175.52 178.40 2qbe s ASP 25 N -3.41 6.37 0.55 4.18 -4.77 -1.26 -4.73 116.67 113.60 2qbe s ASP 25 Ca -0.02 0.29 -0.22 0.00 -3.30 0.00 0.00 52.55 49.30 2qbe s ASP 25 Cb 0.00 -1.97 -0.05 0.00 -1.09 0.00 0.00 42.92 39.82 2qbe s ASP 25 CO 0.07 0.11 1.37 0.68 0.70 0.00 0.00 175.17 178.10 2qbe s VAL 26 N -1.61 2.03 -0.11 2.11 -7.23 -1.26 -4.96 120.40 109.37 2qbe s VAL 26 Ca 0.36 0.02 0.16 0.00 -1.81 0.00 0.00 61.98 60.71 2qbe s VAL 26 Cb -0.12 -3.01 0.32 0.00 0.56 0.00 0.00 36.38 34.12 2qbe s VAL 26 CO 0.28 -0.00 1.17 -1.20 -0.31 0.00 0.00 175.10 175.04 2qbe n SER 27 N -1.08 0.12 0.00 4.85 7.64 -1.26 -4.91 113.62 118.98 2qbe n SER 27 Ca 0.11 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.95 2qbe n SER 27 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2qbe n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2qbe n PHE 28 N -0.21 0.00 0.00 1.43 3.72 -1.26 -5.11 117.46 116.04 2qbe n PHE 28 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2qbe n PHE 28 Cb 0.90 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 2qbe n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qbe n GLY 29 N -0.49 0.87 0.00 1.37 0.00 -1.26 -4.94 105.19 100.74 2qbe n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbe n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qbe n SER 30 N 0.00 0.00 0.00 1.61 3.41 0.12 -4.76 113.62 114.00 2qbe n SER 30 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qbe n SER 30 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qbe n SER 30 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qbe n PHE 31 N 0.00 0.00 -0.35 7.33 3.01 -1.06 -1.70 117.46 124.70 2qbe n PHE 31 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 2qbe n PHE 31 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 2qbe n PHE 31 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qbe n GLY 32 N 0.00 -1.99 3.83 1.37 0.00 -1.26 -4.26 105.19 102.89 2qbe n GLY 32 Ca 0.00 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 2qbe n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbe s LEU 33 N -5.12 4.08 0.25 0.99 1.43 -1.08 -3.18 118.68 116.05 2qbe s LEU 33 Ca 0.00 0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2qbe s LEU 33 Cb 0.00 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 2qbe s LEU 33 CO 0.00 0.27 0.13 -0.75 0.23 0.00 0.00 176.35 176.23 2qbe s LYS 34 N -1.83 2.72 0.00 1.70 2.47 -0.86 -1.37 119.74 122.57 2qbe s LYS 34 Ca 0.25 -1.17 0.00 0.00 -1.56 0.00 0.00 55.97 53.49 2qbe s LYS 34 Cb -0.12 -2.44 0.00 0.00 -1.46 0.00 0.00 37.83 33.81 2qbe s LYS 34 CO 0.16 0.39 0.27 0.00 0.16 0.00 0.00 175.35 176.33 2qbe n ALA 35 N -1.06 0.00 0.00 3.13 0.00 0.18 -2.81 120.51 119.95 2qbe n ALA 35 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2qbe n ALA 35 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2qbe n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbe n VAL 36 N -0.47 0.00 -4.09 0.00 0.31 -1.26 -3.42 118.33 109.40 2qbe n VAL 36 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2qbe n VAL 36 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 2qbe n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2qbe s GLY 37 N -0.57 0.51 -0.04 2.92 0.00 -1.24 -4.80 107.32 104.10 2qbe s GLY 37 Ca 0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 44.72 43.45 2qbe s GLY 37 CO 0.00 -1.21 0.42 1.09 0.00 0.00 0.00 173.10 173.40 2qbe s ARG 38 N -3.31 4.07 0.00 2.90 1.70 -1.26 -3.29 118.95 119.77 2qbe s ARG 38 Ca 0.03 0.40 0.00 0.00 -0.47 0.00 0.00 55.73 55.69 2qbe s ARG 38 Cb 0.03 -3.30 0.00 0.00 -0.57 0.00 0.00 34.95 31.11 2qbe s ARG 38 CO -0.06 0.50 0.00 0.41 -1.08 0.00 0.00 175.30 175.07 2qbe n GLY 39 N 2.35 1.70 3.64 3.88 0.00 -0.63 -4.91 105.19 111.22 2qbe n GLY 39 Ca -0.12 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.59 2qbe n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbe s ARG 40 N 2.67 0.62 -0.21 1.61 1.70 -1.26 -1.60 118.95 122.49 2qbe s ARG 40 Ca 0.00 0.99 -0.13 0.00 -0.47 0.00 0.00 55.73 56.12 2qbe s ARG 40 Cb 0.00 0.17 -0.05 0.00 -0.57 0.00 0.00 34.95 34.51 2qbe s ARG 40 CO 0.00 -0.12 0.26 -0.51 -1.08 0.00 0.00 175.30 173.86 2qbe s LEU 41 N 1.24 4.16 0.00 -1.89 1.43 -0.67 -4.75 118.68 118.20 2qbe s LEU 41 Ca -0.07 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2qbe s LEU 41 Cb -0.05 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.88 2qbe s LEU 41 CO -0.14 0.04 0.21 0.35 0.23 0.00 0.00 176.35 177.03 2qbe n THR 42 N 4.08 0.00 0.00 5.49 -2.24 -1.26 0.14 114.28 120.48 2qbe n THR 42 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2qbe n THR 42 Cb 0.52 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 2qbe n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbe n ALA 43 N -0.08 0.00 0.17 6.98 0.00 -1.12 -4.34 120.51 122.12 2qbe n ALA 43 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2qbe n ALA 43 Cb 0.03 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.57 2qbe n ALA 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qbe h ARG 44 N 0.00 0.00 0.09 0.00 2.43 -1.85 -3.13 114.38 111.92 2qbe h ARG 44 Ca 0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 2qbe h ARG 44 Cb 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2qbe h ARG 44 CO 0.00 0.26 -0.91 1.96 -1.51 0.00 0.00 179.97 179.77 2qbe h GLN 45 N 0.00 0.46 -0.51 0.20 4.20 -1.91 -1.73 115.11 115.82 2qbe h GLN 45 Ca -0.01 -0.61 0.06 0.00 0.06 0.00 0.00 58.65 58.15 2qbe h GLN 45 Cb 1.21 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 29.17 2qbe h GLN 45 CO 0.03 1.25 0.34 -0.84 -0.67 0.00 0.00 178.83 178.95 2qbe h ILE 46 N -0.04 0.97 0.20 2.54 3.07 -1.86 0.15 117.51 122.55 2qbe h ILE 46 Ca -0.14 -0.15 -0.27 0.00 1.55 0.00 0.00 64.86 65.85 2qbe h ILE 46 Cb 1.64 0.49 0.03 0.00 -0.27 0.00 0.00 36.82 38.71 2qbe h ILE 46 CO 0.17 0.08 -1.17 -0.08 -1.05 0.00 0.00 178.15 176.10 2qbe h GLU 47 N 0.45 0.42 -0.51 0.16 4.22 -1.56 -1.53 114.58 116.23 2qbe h GLU 47 Ca 0.22 -0.73 0.05 0.00 0.08 0.00 0.00 59.36 58.99 2qbe h GLU 47 Cb 0.31 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2qbe h GLU 47 CO -0.06 1.35 0.34 0.00 -2.18 0.00 0.00 179.01 178.46 2qbe h ALA 48 N 0.11 1.85 0.15 2.92 0.00 -0.45 -0.66 119.26 123.18 2qbe h ALA 48 Ca -0.21 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.42 2qbe h ALA 48 Cb 1.92 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 19.61 2qbe h ALA 48 CO 0.21 0.08 -1.12 0.00 0.00 0.00 0.00 179.25 178.42 2qbe h ALA 49 N 1.72 -0.06 -0.24 0.00 0.00 -0.76 -3.21 119.26 116.70 2qbe h ALA 49 Ca 0.22 -0.75 0.05 0.00 0.00 0.00 0.00 54.91 54.43 2qbe h ALA 49 Cb 0.23 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2qbe h ALA 49 CO -0.06 0.57 -0.08 -0.09 0.00 0.00 0.00 179.25 179.59 2qbe h ARG 50 N 0.04 -0.04 -0.45 0.00 2.43 -0.33 0.29 114.38 116.33 2qbe h ARG 50 Ca -0.18 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2qbe h ARG 50 Cb 1.84 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 31.34 2qbe h ARG 50 CO 0.21 -0.02 0.09 0.00 -1.51 0.00 0.00 179.97 178.74 2qbe h ARG 51 N -0.04 0.22 -0.49 0.20 3.08 -1.26 0.71 114.38 116.79 2qbe h ARG 51 Ca 0.12 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 2qbe h ARG 51 Cb 0.22 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2qbe h ARG 51 CO -0.27 0.14 0.12 0.00 -1.07 0.00 0.00 179.97 178.89 2qbe h ALA 52 N 1.35 1.29 0.75 0.04 0.00 -1.41 0.39 119.26 121.65 2qbe h ALA 52 Ca 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2qbe h ALA 52 Cb 0.28 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2qbe h ALA 52 CO -0.29 0.50 -0.36 1.98 0.00 0.00 0.00 179.25 181.08 2qbe h MET 53 N 0.72 -0.96 0.06 0.00 -1.53 0.18 -3.31 114.93 110.09 2qbe h MET 53 Ca 0.16 0.07 0.00 0.00 -3.44 0.00 0.00 59.70 56.49 2qbe h MET 53 Cb 0.27 0.22 -0.02 0.00 -0.55 0.00 0.00 31.60 31.52 2qbe h MET 53 CO -0.00 -0.64 -0.21 1.15 0.14 0.00 0.00 176.91 177.34 2qbe h THR 54 N -1.15 0.00 -0.01 -0.77 2.02 0.44 -3.11 112.91 110.33 2qbe h THR 54 Ca -0.10 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.48 2qbe h THR 54 Cb 0.77 0.00 0.10 0.00 -1.74 0.00 0.00 68.15 67.28 2qbe h THR 54 CO 0.17 0.00 1.71 -1.14 0.37 0.00 0.00 175.52 176.63 2qbe n ARG 55 N -3.65 0.66 0.00 6.66 0.63 0.11 -0.36 116.66 120.71 2qbe n ARG 55 Ca -0.04 -1.40 0.00 0.00 -0.92 0.00 0.00 57.85 55.49 2qbe n ARG 55 Cb 0.17 -2.74 0.00 0.00 0.45 0.00 0.00 32.46 30.34 2qbe n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qbe n ALA 56 N 8.80 0.00 1.69 5.13 0.00 -1.19 -4.79 120.51 130.15 2qbe n ALA 56 Ca 0.48 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.07 2qbe n ALA 56 Cb 0.42 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.61 2qbe n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbe n VAL 57 N -0.62 0.00 0.00 0.00 0.31 0.51 -4.91 118.33 113.62 2qbe n VAL 57 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2qbe n VAL 57 Cb 0.00 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 2qbe n VAL 57 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qbe n LYS 58 N -0.66 0.00 0.00 5.55 4.01 -1.12 -2.76 118.16 123.18 2qbe n LYS 58 Ca 0.20 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.00 2qbe n LYS 58 Cb 0.22 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.74 2qbe n LYS 58 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2qbe n ARG 59 N 0.00 0.00 -1.51 1.97 0.00 -1.26 -4.89 116.66 110.97 2qbe n ARG 59 Ca 0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 57.85 57.37 2qbe n ARG 59 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 2qbe n ARG 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qbe n GLN 60 N -1.09 0.69 0.00 -0.14 10.64 -1.11 -4.74 117.38 121.63 2qbe n GLN 60 Ca 0.00 0.24 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 2qbe n GLN 60 Cb 0.00 -1.53 0.00 0.00 -0.86 0.00 0.00 30.24 27.85 2qbe n GLN 60 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qbe n GLY 61 N 1.73 -0.83 3.40 2.61 0.00 0.14 -4.66 105.19 107.59 2qbe n GLY 61 Ca 0.15 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 2qbe n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbe s LYS 62 N -1.31 1.49 0.12 1.61 2.20 -1.26 -4.83 119.74 117.77 2qbe s LYS 62 Ca 0.00 -1.68 0.04 0.00 -0.36 0.00 0.00 55.97 53.97 2qbe s LYS 62 Cb 0.00 -1.39 -0.04 0.00 -1.51 0.00 0.00 37.83 34.89 2qbe s LYS 62 CO 0.00 0.23 -0.10 0.42 -0.36 0.00 0.00 175.35 175.54 2qbe s ILE 63 N -2.79 1.05 0.07 5.43 1.09 -1.26 -3.30 121.20 121.50 2qbe s ILE 63 Ca 0.26 -1.90 0.01 0.00 -1.10 0.00 0.00 60.65 57.93 2qbe s ILE 63 Cb -0.02 -1.66 -0.04 0.00 -1.06 0.00 0.00 42.46 39.68 2qbe s ILE 63 CO 0.11 -0.69 -0.06 0.26 -0.10 0.00 0.00 174.94 174.46 2qbe s TRP 64 N -3.03 0.75 -0.40 3.97 0.51 -0.33 -4.93 118.94 115.48 2qbe s TRP 64 Ca 0.12 -0.80 0.01 0.00 -2.12 0.00 0.00 56.10 53.31 2qbe s TRP 64 Cb 0.01 -0.45 0.14 0.00 -0.81 0.00 0.00 33.47 32.35 2qbe s TRP 64 CO -0.00 -0.16 0.22 0.42 -0.51 0.00 0.00 176.95 176.92 2qbe s ILE 65 N -2.94 0.78 -2.00 2.03 1.01 -1.26 -2.35 121.20 116.47 2qbe s ILE 65 Ca 0.04 -2.14 0.24 0.00 0.00 0.00 0.00 60.65 58.79 2qbe s ILE 65 Cb 0.01 -1.55 0.69 0.00 0.01 0.00 0.00 42.46 41.61 2qbe s ILE 65 CO -0.04 -0.94 1.81 0.54 0.00 0.00 0.00 174.94 176.31 2qbe n ARG 66 N 3.79 0.76 -4.20 2.79 5.12 -0.30 -4.76 116.66 119.87 2qbe n ARG 66 Ca 0.10 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.70 2qbe n ARG 66 Cb 0.36 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.08 2qbe n ARG 66 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2qbe s VAL 67 N -2.00 4.25 -0.02 1.55 -7.23 -1.24 -4.95 120.40 110.76 2qbe s VAL 67 Ca 0.36 -0.68 -0.07 0.00 -1.81 0.00 0.00 61.98 59.79 2qbe s VAL 67 Cb 0.17 -2.95 0.01 0.00 0.56 0.00 0.00 36.38 34.17 2qbe s VAL 67 CO 0.28 0.29 0.14 0.12 -0.31 0.00 0.00 175.10 175.62 2qbe s PHE 68 N -1.18 -0.02 0.00 2.82 5.36 -1.26 -5.11 117.98 118.58 2qbe s PHE 68 Ca 0.22 0.03 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 2qbe s PHE 68 Cb -0.12 -0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.55 2qbe s PHE 68 CO 0.14 -0.23 0.44 -0.35 -1.46 0.00 0.00 175.22 173.76 2qbe n PRO 69 N 1.90 0.00 0.00 10.12 -0.04 -1.26 -4.43 135.00 141.29 2qbe n PRO 69 Ca -0.20 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2qbe n PRO 69 Cb 0.56 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 2qbe n PRO 69 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qbe n ASP 70 N -0.86 0.00 -4.61 3.54 5.68 -1.25 -4.13 116.55 114.93 2qbe n ASP 70 Ca 0.00 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.91 2qbe n ASP 70 Cb 0.00 -0.71 -0.10 0.00 -1.14 0.00 0.00 41.12 39.17 2qbe n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2qbe s LYS 71 N 0.00 3.99 0.00 0.11 2.20 -1.02 -5.00 119.74 120.02 2qbe s LYS 71 Ca 0.00 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 2qbe s LYS 71 Cb 0.00 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2qbe s LYS 71 CO 0.00 -0.16 0.39 -2.30 -0.36 0.00 0.00 175.35 172.92 2qbe n PRO 72 N 4.98 0.00 -1.69 4.03 -0.02 -1.26 -0.16 135.00 140.87 2qbe n PRO 72 Ca -0.13 0.18 -0.01 0.00 -2.02 0.00 0.00 63.50 61.52 2qbe n PRO 72 Cb 0.52 -0.89 -0.01 0.00 -0.02 0.00 0.00 33.50 33.10 2qbe n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2qbe n ILE 73 N -0.57 -5.47 -2.63 4.25 2.08 -1.26 -3.54 119.36 112.23 2qbe n ILE 73 Ca 0.00 0.75 -0.22 0.00 0.56 0.00 0.00 62.75 63.84 2qbe n ILE 73 Cb 0.00 -4.20 0.11 0.00 -0.75 0.00 0.00 39.64 34.80 2qbe n ILE 73 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2qbe n THR 74 N 0.45 0.00 -3.70 1.39 -2.24 -1.26 -3.38 114.28 105.53 2qbe n THR 74 Ca -0.09 -1.54 -0.14 0.00 -2.27 0.00 0.00 64.05 60.01 2qbe n THR 74 Cb 0.14 -0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 67.40 2qbe n THR 74 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2qbe s GLU 75 N -4.99 0.64 -0.18 -0.78 2.02 -0.90 -4.80 118.70 109.72 2qbe s GLU 75 Ca 0.64 0.36 -0.08 0.00 0.02 0.00 0.00 54.97 55.90 2qbe s GLU 75 Cb -0.04 0.30 -0.04 0.00 0.10 0.00 0.00 34.13 34.45 2qbe s GLU 75 CO 0.42 -0.13 0.10 0.21 0.02 0.00 0.00 175.26 175.88 2qbe s LYS 76 N -0.38 3.97 1.04 1.61 2.20 -1.26 -2.65 119.74 124.27 2qbe s LYS 76 Ca -0.05 -0.26 -0.24 0.00 -0.36 0.00 0.00 55.97 55.06 2qbe s LYS 76 Cb -0.03 -3.29 -0.07 0.00 -1.51 0.00 0.00 37.83 32.92 2qbe s LYS 76 CO 0.03 0.37 -0.92 -2.30 -0.36 0.00 0.00 175.35 172.17 2qbe n PRO 77 N 3.26 -0.67 0.00 4.03 -0.02 -1.26 -5.00 135.00 135.35 2qbe n PRO 77 Ca -0.17 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.12 2qbe n PRO 77 Cb 0.53 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 2qbe n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2qbe n LEU 78 N 1.45 0.00 -4.58 2.45 0.00 -1.26 -4.40 117.00 110.66 2qbe n LEU 78 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 56.01 55.81 2qbe n LEU 78 Cb 0.69 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 44.01 2qbe n LEU 78 CO 0.45 0.00 1.22 0.00 0.00 0.00 0.00 177.39 179.06 2qbe s ALA 79 N -2.68 0.89 -0.16 1.96 0.00 -1.26 -4.80 121.76 115.70 2qbe s ALA 79 Ca 0.00 -1.68 -0.10 0.00 0.00 0.00 0.00 51.96 50.19 2qbe s ALA 79 Cb 0.00 -4.69 0.05 0.00 0.00 0.00 0.00 23.12 18.48 2qbe s ALA 79 CO 0.00 -6.38 0.39 0.54 0.00 0.00 0.00 175.76 170.31 2qbe s VAL 80 N 15.11 -0.02 1.12 0.00 0.11 -1.26 -5.16 120.40 130.30 2qbe s VAL 80 Ca 0.78 0.07 -0.18 0.00 -2.93 0.00 0.00 61.98 59.72 2qbe s VAL 80 Cb -0.04 -0.57 0.11 0.00 -1.53 0.00 0.00 36.38 34.35 2qbe s VAL 80 CO 0.16 0.03 0.05 -1.14 -3.33 0.00 0.00 175.10 170.87 2qbe n ARG 81 N 3.91 -1.65 -3.34 1.54 3.00 -1.26 -4.98 116.66 113.89 2qbe n ARG 81 Ca -0.21 -0.46 -0.21 0.00 -0.00 0.00 0.00 57.85 56.96 2qbe n ARG 81 Cb 0.56 -1.72 -0.00 0.00 0.00 0.00 0.00 32.46 31.29 2qbe n ARG 81 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2qbe s MET 82 N -3.48 3.19 -0.36 -0.14 -1.94 -1.26 -4.76 119.30 110.54 2qbe s MET 82 Ca 0.57 -0.69 -0.25 0.00 -1.71 0.00 0.00 55.69 53.60 2qbe s MET 82 Cb -0.12 -2.71 0.04 0.00 2.01 0.00 0.00 34.83 34.05 2qbe s MET 82 CO 0.66 -0.01 0.50 0.41 -0.01 0.00 0.00 175.02 176.58 2qbe n GLY 83 N -1.80 -0.50 1.75 -0.03 0.00 -1.26 -4.95 105.19 98.41 2qbe n GLY 83 Ca -0.01 0.96 -0.01 0.00 0.00 0.00 0.00 46.02 46.95 2qbe n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbe n LYS 84 N 0.09 0.52 0.00 1.61 4.76 -1.26 -5.11 118.16 118.76 2qbe n LYS 84 Ca -0.02 -1.78 0.00 0.00 -2.87 0.00 0.00 58.31 53.64 2qbe n LYS 84 Cb 0.56 -0.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 2qbe n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbe n GLY 85 N -0.20 2.54 3.76 0.72 0.00 -1.26 -5.01 105.19 105.73 2qbe n GLY 85 Ca -0.09 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 2qbe n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbe s LYS 86 N -3.74 3.37 0.00 1.61 2.20 -1.26 -5.00 119.74 116.93 2qbe s LYS 86 Ca 0.00 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.74 2qbe s LYS 86 Cb 0.00 -2.35 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 2qbe s LYS 86 CO 0.00 -0.97 0.00 0.41 -0.36 0.00 0.00 175.35 174.43 2qbe n GLY 87 N 0.64 -3.13 3.51 5.54 0.00 -1.26 -5.02 105.19 105.48 2qbe n GLY 87 Ca 0.09 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 2qbe n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qbe s ASN 88 N -1.96 4.25 -0.40 1.61 0.02 -1.08 -4.81 114.94 112.57 2qbe s ASN 88 Ca 0.00 -0.14 -0.27 0.00 -1.02 0.00 0.00 52.86 51.43 2qbe s ASN 88 Cb 0.00 -0.96 -0.07 0.00 0.02 0.00 0.00 41.25 40.24 2qbe s ASN 88 CO 0.00 0.35 2.34 1.33 0.02 0.00 0.00 177.10 181.14 2qbe n VAL 89 N 2.25 0.09 -0.06 1.60 0.24 -1.26 -2.11 118.33 119.08 2qbe n VAL 89 Ca -0.17 -0.62 -0.19 0.00 -2.04 0.00 0.00 64.34 61.31 2qbe n VAL 89 Cb 0.52 -2.59 -0.13 0.00 -1.47 0.00 0.00 33.84 30.18 2qbe n VAL 89 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2qbe h GLU 90 N 17.33 0.08 0.00 7.34 4.57 -1.84 -3.49 114.58 138.57 2qbe h GLU 90 Ca -0.30 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 2qbe h GLU 90 Cb 1.26 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2qbe h GLU 90 CO 1.08 1.07 0.00 2.48 -1.18 0.00 0.00 179.01 182.46 2qbe n TYR 91 N -4.32 0.00 -3.74 0.92 4.11 -1.25 -5.11 117.16 107.76 2qbe n TYR 91 Ca -0.23 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.44 2qbe n TYR 91 Cb 0.70 0.00 -0.18 0.00 -0.00 0.00 0.00 39.34 39.86 2qbe n TYR 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2qbe s TRP 92 N -1.47 0.54 0.26 -3.48 0.52 -1.23 -4.33 118.94 109.74 2qbe s TRP 92 Ca 0.00 -0.10 0.03 0.00 0.02 0.00 0.00 56.10 56.05 2qbe s TRP 92 Cb 0.00 -0.74 -0.03 0.00 -1.15 0.00 0.00 33.47 31.55 2qbe s TRP 92 CO 0.00 -0.31 0.41 0.54 0.02 0.00 0.00 176.95 177.61 2qbe s VAL 93 N 2.02 5.22 -0.45 4.03 0.11 0.77 -2.78 120.40 129.31 2qbe s VAL 93 Ca 0.05 -0.74 0.03 0.00 -2.93 0.00 0.00 61.98 58.38 2qbe s VAL 93 Cb -0.12 -3.83 0.12 0.00 -1.53 0.00 0.00 36.38 31.02 2qbe s VAL 93 CO -0.05 -0.35 0.21 0.00 -3.33 0.00 0.00 175.10 171.58 2qbe s ALA 94 N -2.04 2.73 -0.02 1.54 0.00 0.36 -2.43 121.76 121.90 2qbe s ALA 94 Ca 0.36 -2.81 -0.35 0.00 0.00 0.00 0.00 51.96 49.16 2qbe s ALA 94 Cb -0.10 -2.00 -0.13 0.00 0.00 0.00 0.00 23.12 20.90 2qbe s ALA 94 CO 0.31 -1.96 1.76 1.28 0.00 0.00 0.00 175.76 177.16 2qbe n LEU 95 N 3.57 3.19 -4.23 0.00 4.32 -1.26 -1.66 117.00 120.93 2qbe n LEU 95 Ca 0.05 1.02 -0.13 0.00 -0.02 0.00 0.00 56.01 56.93 2qbe n LEU 95 Cb 0.35 -1.36 -0.10 0.00 -1.62 0.00 0.00 43.42 40.69 2qbe n LEU 95 CO 0.27 -0.19 -0.41 0.27 -1.22 0.00 0.00 177.39 176.12 2qbe s ILE 96 N 2.99 1.05 0.18 -0.08 -4.36 -0.62 -4.96 121.20 115.39 2qbe s ILE 96 Ca 0.89 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 59.23 2qbe s ILE 96 Cb -0.73 -1.77 -0.03 0.00 1.25 0.00 0.00 42.46 41.18 2qbe s ILE 96 CO 0.49 -0.76 0.20 0.00 0.24 0.00 0.00 174.94 175.11 2qbe s GLN 97 N -3.69 1.16 0.15 0.37 0.00 -1.26 -1.60 119.66 114.78 2qbe s GLN 97 Ca 0.15 -1.40 -0.33 0.00 -0.00 0.00 0.00 55.36 53.78 2qbe s GLN 97 Cb 0.03 0.32 -0.17 0.00 0.00 0.00 0.00 33.01 33.19 2qbe s GLN 97 CO -0.01 -0.40 0.99 -2.30 0.00 0.00 0.00 175.29 173.57 2qbe n PRO 98 N -0.22 0.66 0.00 9.60 -0.02 -1.21 -1.01 135.00 142.80 2qbe n PRO 98 Ca -0.03 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2qbe n PRO 98 Cb 0.64 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2qbe n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qbe n GLY 99 N 1.86 2.10 3.75 -1.23 0.00 -1.26 -1.43 105.19 108.98 2qbe n GLY 99 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2qbe n GLY 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbe n LYS 100 N -2.00 2.56 -3.30 1.61 0.00 -0.18 -4.04 118.16 112.80 2qbe n LYS 100 Ca 0.00 0.90 -0.43 0.00 0.00 0.00 0.00 58.31 58.78 2qbe n LYS 100 Cb 0.00 -2.62 -0.08 0.00 0.00 0.00 0.00 35.03 32.33 2qbe n LYS 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2qbe s VAL 101 N -0.75 5.07 0.00 3.15 0.11 -0.87 0.51 120.40 127.62 2qbe s VAL 101 Ca 0.57 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2qbe s VAL 101 Cb -0.51 -4.08 0.00 0.00 -1.53 0.00 0.00 36.38 30.27 2qbe s VAL 101 CO 0.59 -0.48 0.33 0.18 -3.33 0.00 0.00 175.10 172.38 2qbe n LEU 102 N 5.65 0.13 0.00 2.54 7.99 -0.47 -4.08 117.00 128.75 2qbe n LEU 102 Ca -0.07 0.64 -0.02 0.00 -0.01 0.00 0.00 56.01 56.54 2qbe n LEU 102 Cb 0.47 -0.47 -0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2qbe n LEU 102 CO 0.47 -0.47 -0.01 -1.22 -1.51 0.00 0.00 177.39 174.65 2qbe n TYR 103 N -1.90 0.05 -3.64 -1.77 4.02 -1.26 -1.15 117.16 111.51 2qbe n TYR 103 Ca 0.00 -0.18 -0.10 0.00 -0.01 0.00 0.00 57.90 57.62 2qbe n TYR 103 Cb 0.00 -0.01 -0.07 0.00 -0.02 0.00 0.00 39.34 39.24 2qbe n TYR 103 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2qbe s GLU 104 N -2.12 0.63 0.27 -0.72 2.02 -0.99 -2.65 118.70 115.15 2qbe s GLU 104 Ca 0.01 0.83 0.08 0.00 0.02 0.00 0.00 54.97 55.91 2qbe s GLU 104 Cb 0.00 0.27 -0.05 0.00 0.10 0.00 0.00 34.13 34.44 2qbe s GLU 104 CO 0.01 -0.09 -0.11 -1.64 0.02 0.00 0.00 175.26 173.45 2qbe s MET 105 N 0.62 1.56 0.19 1.61 -1.94 -1.26 -1.19 119.30 118.89 2qbe s MET 105 Ca -0.01 -1.76 0.00 0.00 -1.71 0.00 0.00 55.69 52.21 2qbe s MET 105 Cb -0.05 -1.34 0.00 0.00 2.01 0.00 0.00 34.83 35.45 2qbe s MET 105 CO -0.07 0.14 0.00 -3.47 -0.01 0.00 0.00 175.02 171.61 2qbe n ASP 106 N -0.58 -1.12 -2.22 3.03 2.03 -1.21 0.13 116.55 116.62 2qbe n ASP 106 Ca -0.06 0.36 -0.09 0.00 0.52 0.00 0.00 54.79 55.52 2qbe n ASP 106 Cb 0.62 1.22 -0.11 0.00 -0.72 0.00 0.00 41.12 42.13 2qbe n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qbe n GLY 107 N 0.03 2.39 3.63 0.27 0.00 -1.26 -4.72 105.19 105.53 2qbe n GLY 107 Ca 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 2qbe n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbe s VAL 108 N 1.73 0.00 0.26 1.61 0.11 -1.26 -0.69 120.40 122.17 2qbe s VAL 108 Ca 0.45 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.21 2qbe s VAL 108 Cb 0.21 -1.00 -0.14 0.00 -1.53 0.00 0.00 36.38 33.91 2qbe s VAL 108 CO -0.00 0.00 1.01 -2.65 -3.33 0.00 0.00 175.10 170.13 2qbe n PRO 109 N 2.61 1.24 0.22 1.54 -0.02 -1.26 -4.57 135.00 134.75 2qbe n PRO 109 Ca -0.14 0.43 0.16 0.00 -2.02 0.00 0.00 63.50 61.94 2qbe n PRO 109 Cb 0.55 -1.80 0.83 0.00 -0.02 0.00 0.00 33.50 33.06 2qbe n PRO 109 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2qbe h GLU 110 N 2.19 0.00 -0.04 -0.52 9.09 -1.98 0.34 114.58 123.67 2qbe h GLU 110 Ca -0.39 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 58.93 2qbe h GLU 110 Cb 1.35 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.43 2qbe h GLU 110 CO 0.62 0.00 -0.38 1.49 0.05 0.00 0.00 179.01 180.79 2qbe h GLU 111 N 0.00 0.07 0.00 1.06 4.57 -1.99 0.20 114.58 118.50 2qbe h GLU 111 Ca 0.06 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2qbe h GLU 111 Cb 0.35 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2qbe h GLU 111 CO -0.00 0.45 -0.28 1.25 -1.18 0.00 0.00 179.01 179.24 2qbe h LEU 112 N 0.06 0.00 -0.98 1.64 7.12 -0.78 -2.89 115.31 119.48 2qbe h LEU 112 Ca 0.00 0.00 0.18 0.00 0.13 0.00 0.00 57.88 58.20 2qbe h LEU 112 Cb 0.71 0.00 -0.18 0.00 -0.53 0.00 0.00 40.66 40.66 2qbe h LEU 112 CO 0.05 0.60 -0.28 0.00 -0.13 0.00 0.00 178.44 178.68 2qbe n ALA 113 N -3.20 0.14 0.31 1.25 0.00 0.47 0.13 120.51 119.60 2qbe n ALA 113 Ca -0.04 1.05 -0.17 0.00 0.00 0.00 0.00 53.44 54.29 2qbe n ALA 113 Cb 0.15 -0.59 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 2qbe n ALA 113 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qbe h ARG 114 N 0.00 -0.93 -3.90 0.00 2.43 -1.11 -1.90 114.38 108.98 2qbe h ARG 114 Ca 0.44 0.06 -0.71 0.00 -0.81 0.00 0.00 59.98 58.96 2qbe h ARG 114 Cb 0.68 0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.40 2qbe h ARG 114 CO -1.00 -0.62 3.10 -1.91 -1.51 0.00 0.00 179.97 178.03 2qbe n GLU 115 N -5.14 2.96 0.00 0.20 0.00 0.12 -2.51 120.64 116.27 2qbe n GLU 115 Ca -0.12 -2.64 0.00 0.00 0.00 0.00 0.00 57.16 54.40 2qbe n GLU 115 Cb 0.42 -3.23 0.00 0.00 0.00 0.00 0.00 31.44 28.63 2qbe n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbe n ALA 116 N 5.77 0.00 0.26 4.31 0.00 -0.92 -4.76 120.51 125.17 2qbe n ALA 116 Ca 0.53 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.12 2qbe n ALA 116 Cb 0.38 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.35 2qbe n ALA 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2qbe h PHE 117 N 0.00 0.00 -0.06 0.00 0.04 -1.04 -2.65 116.94 113.23 2qbe h PHE 117 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 2qbe h PHE 117 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2qbe h PHE 117 CO 0.00 0.02 -0.11 -0.22 -0.60 0.00 0.00 178.31 177.40 2qbe h LYS 118 N 0.00 0.18 -0.10 1.51 3.64 -1.80 -0.13 116.57 119.87 2qbe h LYS 118 Ca -0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2qbe h LYS 118 Cb 0.67 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2qbe h LYS 118 CO 0.00 0.69 0.00 1.28 -2.27 0.00 0.00 179.45 179.15 2qbe n LEU 119 N -4.66 0.10 0.00 5.20 4.77 -1.01 -2.71 117.00 118.69 2qbe n LEU 119 Ca -0.08 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 55.82 2qbe n LEU 119 Cb 0.35 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2qbe n LEU 119 CO 0.37 0.03 -0.32 0.00 -1.33 0.00 0.00 177.39 176.13 2qbe n ALA 120 N -0.33 2.53 0.04 -1.18 0.00 -0.83 -4.51 120.51 116.23 2qbe n ALA 120 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.25 2qbe n ALA 120 Cb 0.03 0.26 0.12 0.00 0.00 0.00 0.00 19.45 19.86 2qbe n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe n ALA 121 N -3.60 0.84 0.08 0.00 0.00 -0.12 0.38 120.51 118.10 2qbe n ALA 121 Ca -0.06 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 2qbe n ALA 121 Cb 0.26 -0.89 0.23 0.00 0.00 0.00 0.00 19.45 19.05 2qbe n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe h ALA 122 N 1.66 1.13 -1.83 0.00 0.00 -1.76 -3.15 119.26 115.32 2qbe h ALA 122 Ca 0.00 -0.38 -0.72 0.00 0.00 0.00 0.00 54.91 53.81 2qbe h ALA 122 Cb 0.19 -0.09 -0.34 0.00 0.00 0.00 0.00 17.79 17.55 2qbe h ALA 122 CO 0.00 0.56 0.27 1.63 0.00 0.00 0.00 179.25 181.72 2qbe n LYS 123 N -4.06 4.18 -3.63 0.00 4.76 0.16 -4.96 118.16 114.60 2qbe n LYS 123 Ca -0.01 -4.70 -0.12 0.00 -2.87 0.00 0.00 58.31 50.61 2qbe n LYS 123 Cb 0.45 -2.38 -0.07 0.00 -1.84 0.00 0.00 35.03 31.19 2qbe n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qbe s LEU 124 N -3.47 -0.68 0.01 -0.35 1.43 -1.19 -4.46 118.68 109.97 2qbe s LEU 124 Ca 0.40 1.28 -0.25 0.00 -1.03 0.00 0.00 54.13 54.53 2qbe s LEU 124 Cb 0.18 2.29 -0.14 0.00 0.03 0.00 0.00 46.19 48.54 2qbe s LEU 124 CO -0.06 -0.22 1.05 -0.65 0.23 0.00 0.00 176.35 176.70 2qbe h PRO 125 N 4.93 -0.81 -6.92 1.29 0.11 -1.92 -3.45 132.00 125.23 2qbe h PRO 125 Ca -0.29 0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.34 2qbe h PRO 125 Cb 1.17 0.18 0.09 0.00 0.11 0.00 0.00 31.00 32.55 2qbe h PRO 125 CO 0.08 -0.52 0.71 0.42 -0.21 0.00 0.00 178.00 178.48 2qbe s ILE 126 N -4.48 2.34 -0.55 4.15 1.09 -1.26 -4.94 121.20 117.54 2qbe s ILE 126 Ca -0.13 0.34 -0.28 0.00 -1.10 0.00 0.00 60.65 59.47 2qbe s ILE 126 Cb 0.01 -3.21 0.03 0.00 -1.06 0.00 0.00 42.46 38.23 2qbe s ILE 126 CO 0.41 0.08 1.19 -1.59 -0.10 0.00 0.00 174.94 174.93 2qbe s LYS 127 N -2.00 3.56 0.52 2.79 -2.85 -1.26 -4.97 119.74 115.52 2qbe s LYS 127 Ca 0.52 0.34 0.05 0.00 -1.00 0.00 0.00 55.97 55.87 2qbe s LYS 127 Cb -0.43 -3.99 0.04 0.00 -2.06 0.00 0.00 37.83 31.38 2qbe s LYS 127 CO 0.58 -1.62 0.71 0.95 0.10 0.00 0.00 175.35 176.08 2qbe s THR 128 N 4.88 2.68 0.09 3.79 -4.23 -1.22 -3.71 115.64 117.91 2qbe s THR 128 Ca 0.45 -0.84 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 2qbe s THR 128 Cb -0.07 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 2qbe s THR 128 CO 0.27 0.00 0.06 1.07 -0.54 0.00 0.00 174.62 175.48 2qbe n THR 129 N -2.18 0.00 -4.18 3.99 5.66 -1.12 -4.93 114.28 111.52 2qbe n THR 129 Ca 0.10 -0.60 -0.30 0.00 -3.05 0.00 0.00 64.05 60.19 2qbe n THR 129 Cb 0.60 0.27 -0.09 0.00 -1.55 0.00 0.00 70.33 69.57 2qbe n THR 129 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2qbe s PHE 130 N -2.20 2.93 0.07 1.09 5.36 -1.26 -2.03 117.98 121.94 2qbe s PHE 130 Ca 0.08 -0.05 -0.02 0.00 -0.96 0.00 0.00 56.93 55.99 2qbe s PHE 130 Cb 0.00 -1.53 -0.04 0.00 -0.34 0.00 0.00 43.02 41.12 2qbe s PHE 130 CO 0.06 0.46 0.01 0.08 -1.46 0.00 0.00 175.22 174.37 2qbe s VAL 131 N -1.26 0.19 0.35 3.12 1.01 -1.19 -4.87 120.40 117.75 2qbe s VAL 131 Ca 0.24 -1.75 0.02 0.00 0.00 0.00 0.00 61.98 60.49 2qbe s VAL 131 Cb -0.11 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.70 2qbe s VAL 131 CO 0.16 -0.87 0.18 0.35 0.00 0.00 0.00 175.10 174.92 2qbe n THR 132 N 0.06 0.00 -0.01 3.92 -2.24 -1.26 -4.04 114.28 110.71 2qbe n THR 132 Ca -0.13 -1.47 -0.13 0.00 -2.27 0.00 0.00 64.05 60.06 2qbe n THR 132 Cb 0.62 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 2qbe n THR 132 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2qbe h LYS 133 N 0.00 -0.05 -3.44 -0.78 3.64 -1.64 -3.40 116.57 110.91 2qbe h LYS 133 Ca -0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2qbe h LYS 133 Cb 0.83 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2qbe h LYS 133 CO 0.39 0.53 -0.73 2.41 -2.27 0.00 0.00 179.45 179.79 2qbe n THR 134 N -4.82 -9.35 0.27 1.00 -1.04 -1.26 -4.56 114.28 94.52 2qbe n THR 134 Ca -0.09 2.48 0.17 0.00 -2.04 0.00 0.00 64.05 64.57 2qbe n THR 134 Cb 0.30 -4.26 0.89 0.00 -1.82 0.00 0.00 70.33 65.44 2qbe n THR 134 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2qbe h VAL 135 N 3.05 0.00 0.00 12.58 2.07 -2.00 -3.50 116.25 128.45 2qbe h VAL 135 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2qbe h VAL 135 Cb 0.00 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2qbe h VAL 135 CO 0.00 0.00 0.00 0.80 0.02 0.00 0.00 177.57 178.39