#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba s LEU 2 N 0.00 -1.43 0.19 -0.89 2.96 -1.26 -5.12 118.68 113.13 2qba s LEU 2 Ca 0.00 0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 53.98 2qba s LEU 2 Cb 0.00 1.90 0.04 0.00 0.50 0.00 0.00 46.19 48.64 2qba s LEU 2 CO 0.00 -0.30 0.58 0.00 -1.32 0.00 0.00 176.35 175.31 2qba s GLN 3 N 2.79 1.38 -0.00 1.98 -2.07 -1.26 -4.75 119.66 117.72 2qba s GLN 3 Ca 0.13 -0.71 -0.30 0.00 -1.82 0.00 0.00 55.36 52.66 2qba s GLN 3 Cb -0.12 0.56 -0.08 0.00 -1.09 0.00 0.00 33.01 32.28 2qba s GLN 3 CO -0.25 -0.60 1.94 -2.14 -1.32 0.00 0.00 175.29 172.92 2qba s PRO 4 N -3.82 4.05 0.50 9.60 0.02 -1.26 -4.84 135.00 139.25 2qba s PRO 4 Ca 0.06 2.48 0.29 0.00 0.02 0.00 0.00 61.00 63.85 2qba s PRO 4 Cb -0.02 -4.16 1.60 0.00 0.02 0.00 0.00 34.50 31.95 2qba s PRO 4 CO -0.06 -1.05 1.88 0.87 -0.33 0.00 0.00 177.00 178.31 2qba h LYS 5 N 10.86 0.00 -2.15 5.54 1.79 -2.04 -3.43 116.57 127.14 2qba h LYS 5 Ca -0.47 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.05 2qba h LYS 5 Cb 1.23 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.70 2qba h LYS 5 CO 0.95 0.00 0.41 0.50 -1.08 0.00 0.00 179.45 180.22 2qba s ARG 6 N -3.81 0.88 -0.09 3.15 3.52 -1.26 -5.18 118.95 116.15 2qba s ARG 6 Ca -0.03 -0.11 -0.19 0.00 -0.13 0.00 0.00 55.73 55.27 2qba s ARG 6 Cb 0.08 0.41 0.04 0.00 -1.56 0.00 0.00 34.95 33.93 2qba s ARG 6 CO 0.27 -0.34 0.46 0.95 -0.81 0.00 0.00 175.30 175.83 2qba s THR 7 N -2.33 0.02 -1.85 4.11 -4.23 -1.26 -5.03 115.64 105.07 2qba s THR 7 Ca -0.00 -0.17 0.30 0.00 -1.18 0.00 0.00 61.69 60.63 2qba s THR 7 Cb -0.01 -0.72 0.76 0.00 1.34 0.00 0.00 72.50 73.87 2qba s THR 7 CO -0.03 -0.10 2.09 1.17 -0.54 0.00 0.00 174.62 177.21 2qba n LYS 8 N 1.84 0.80 -3.69 3.99 3.00 -1.26 -4.68 118.16 118.17 2qba n LYS 8 Ca -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.03 2qba n LYS 8 Cb 0.56 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 33.98 2qba n LYS 8 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2qba s PHE 9 N -2.15 -0.55 0.16 5.64 0.08 -1.26 -5.06 117.98 114.84 2qba s PHE 9 Ca 0.40 1.17 -0.11 0.00 0.12 0.00 0.00 56.93 58.52 2qba s PHE 9 Cb 0.20 0.17 0.03 0.00 -0.57 0.00 0.00 43.02 42.85 2qba s PHE 9 CO 0.37 -0.36 1.59 -0.09 -0.10 0.00 0.00 175.22 176.63 2qba h ARG 10 N 7.64 0.99 -4.54 0.44 1.12 -2.03 -3.43 114.38 114.56 2qba h ARG 10 Ca -0.28 -0.36 -0.58 0.00 -1.11 0.00 0.00 59.98 57.66 2qba h ARG 10 Cb 1.14 -0.07 -0.36 0.00 -0.01 0.00 0.00 29.97 30.68 2qba h ARG 10 CO 0.24 1.04 -0.82 0.15 -3.11 0.00 0.00 179.97 177.46 2qba s LYS 11 N -4.87 2.04 0.47 0.20 1.02 -1.26 -4.88 119.74 112.46 2qba s LYS 11 Ca -0.12 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.38 2qba s LYS 11 Cb 0.12 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.51 2qba s LYS 11 CO 0.85 -0.21 0.74 1.41 -0.92 0.00 0.00 175.35 177.22 2qba s MET 12 N 1.46 3.34 0.00 1.68 1.75 -1.26 -5.10 119.30 121.16 2qba s MET 12 Ca 0.03 -0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.40 2qba s MET 12 Cb -0.13 -2.45 0.00 0.00 2.84 0.00 0.00 34.83 35.09 2qba s MET 12 CO -0.08 -0.23 0.00 0.72 -0.65 0.00 0.00 175.02 174.78 2qba n HIS 13 N -2.19 0.00 -0.05 4.11 8.25 -1.26 -4.79 115.22 119.30 2qba n HIS 13 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 2qba n HIS 13 Cb 0.56 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 2qba n HIS 13 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2qba n LYS 14 N 0.00 0.22 0.00 -0.41 4.81 -1.26 -4.83 118.16 116.70 2qba n LYS 14 Ca 0.00 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2qba n LYS 14 Cb 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 35.03 34.13 2qba n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qba n GLY 15 N 2.45 0.47 3.58 3.14 0.00 -1.26 -4.97 105.19 108.59 2qba n GLY 15 Ca -0.20 -0.77 -0.06 0.00 0.00 0.00 0.00 46.02 44.99 2qba n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qba s ARG 16 N 0.00 0.45 0.53 1.61 1.70 -1.26 -5.18 118.95 116.80 2qba s ARG 16 Ca 0.00 -0.11 -0.06 0.00 -0.47 0.00 0.00 55.73 55.09 2qba s ARG 16 Cb 0.00 0.21 -0.03 0.00 -0.57 0.00 0.00 34.95 34.56 2qba s ARG 16 CO 0.00 -0.18 0.86 -0.80 -1.08 0.00 0.00 175.30 174.09 2qba s ASN 17 N -1.99 6.09 -0.33 -2.89 0.02 -1.26 -5.04 114.94 109.54 2qba s ASN 17 Ca 0.07 0.97 0.16 0.00 -1.02 0.00 0.00 52.86 53.03 2qba s ASN 17 Cb -0.01 -2.16 0.45 0.00 0.02 0.00 0.00 41.25 39.55 2qba s ASN 17 CO -0.05 -0.75 1.18 0.54 0.02 0.00 0.00 177.10 178.04 2qba n ARG 18 N -2.43 1.32 -0.13 -0.60 5.12 -1.26 -5.13 116.66 113.56 2qba n ARG 18 Ca 0.02 -2.65 0.02 0.00 -1.93 0.00 0.00 57.85 53.31 2qba n ARG 18 Cb 0.55 -0.78 -0.00 0.00 -1.16 0.00 0.00 32.46 31.07 2qba n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qba n GLY 19 N -0.54 -0.22 2.85 -0.13 0.00 -1.26 -4.96 105.19 100.92 2qba n GLY 19 Ca 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 2qba n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qba n LEU 20 N 0.00 -6.09 0.00 0.99 7.99 -0.67 -4.79 117.00 114.44 2qba n LEU 20 Ca 0.00 1.38 -0.21 0.00 -0.01 0.00 0.00 56.01 57.17 2qba n LEU 20 Cb 0.06 -2.69 0.15 0.00 -0.11 0.00 0.00 43.42 40.83 2qba n LEU 20 CO 0.00 -3.00 0.62 0.00 -1.51 0.00 0.00 177.39 173.50 2qba n ALA 21 N 1.37 -1.18 -0.11 -1.18 0.00 -0.23 -4.94 120.51 114.25 2qba n ALA 21 Ca -0.11 -1.24 -0.18 0.00 0.00 0.00 0.00 53.44 51.91 2qba n ALA 21 Cb 0.28 -0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 2qba n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qba n GLN 22 N -3.07 0.53 -2.25 0.00 1.13 -1.26 -4.80 117.38 107.66 2qba n GLN 22 Ca 0.12 0.22 -0.35 0.00 -1.94 0.00 0.00 57.00 55.05 2qba n GLN 22 Cb 0.41 -1.41 -0.04 0.00 0.11 0.00 0.00 30.24 29.32 2qba n GLN 22 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2qba s GLY 23 N -5.15 0.55 0.00 1.08 0.00 -1.26 -4.86 107.32 97.67 2qba s GLY 23 Ca -0.32 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 42.94 2qba s GLY 23 CO 0.44 3.15 0.00 2.41 0.00 0.00 0.00 173.10 179.10 2qba n THR 24 N 7.25 0.00 -1.75 0.90 -1.04 -1.26 -2.38 114.28 116.01 2qba n THR 24 Ca 0.28 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.88 2qba n THR 24 Cb 0.49 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.02 2qba n THR 24 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2qba n ASP 25 N 0.00 3.19 -4.38 8.00 3.85 -1.26 -4.48 116.55 121.47 2qba n ASP 25 Ca 0.00 1.14 -0.35 0.00 -0.71 0.00 0.00 54.79 54.87 2qba n ASP 25 Cb 0.00 -1.58 0.09 0.00 -1.35 0.00 0.00 41.12 38.28 2qba n ASP 25 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 2qba n VAL 26 N -0.08 0.65 -2.11 2.12 0.24 -1.26 -4.97 118.33 112.93 2qba n VAL 26 Ca 0.05 -0.31 -0.01 0.00 -2.04 0.00 0.00 64.34 62.02 2qba n VAL 26 Cb 0.40 -0.57 -0.02 0.00 -1.47 0.00 0.00 33.84 32.19 2qba n VAL 26 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2qba n SER 27 N -0.21 -0.10 0.00 -1.34 7.64 -1.26 -4.89 113.62 113.46 2qba n SER 27 Ca 0.07 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.22 2qba n SER 27 Cb 0.52 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2qba n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2qba n PHE 28 N 0.11 0.00 -2.36 1.43 3.72 -1.26 -5.14 117.46 113.96 2qba n PHE 28 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2qba n PHE 28 Cb 0.75 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 2qba n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qba n GLY 29 N 0.00 5.38 0.00 1.37 0.00 -1.26 -4.96 105.19 105.73 2qba n GLY 29 Ca 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.76 2qba n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qba n SER 30 N 0.00 2.41 -0.04 1.61 7.64 -0.44 -4.69 113.62 120.12 2qba n SER 30 Ca 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.63 2qba n SER 30 Cb 0.00 1.11 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 2qba n SER 30 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2qba n PHE 31 N -1.42 -0.01 0.00 1.43 3.01 -1.22 -0.44 117.46 118.81 2qba n PHE 31 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2qba n PHE 31 Cb 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 2qba n PHE 31 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qba n GLY 32 N 0.00 -0.41 3.63 1.37 0.00 -1.26 -2.69 105.19 105.83 2qba n GLY 32 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 2qba n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qba s LEU 33 N 0.00 -0.65 0.24 0.99 1.43 -1.03 -4.58 118.68 115.08 2qba s LEU 33 Ca 0.00 1.22 0.06 0.00 -1.03 0.00 0.00 54.13 54.39 2qba s LEU 33 Cb 0.00 2.22 -0.03 0.00 0.03 0.00 0.00 46.19 48.41 2qba s LEU 33 CO 0.00 -0.21 0.24 -0.75 0.23 0.00 0.00 176.35 175.86 2qba s LYS 34 N 0.47 3.07 -0.03 1.70 2.47 -0.62 -1.38 119.74 125.41 2qba s LYS 34 Ca -0.00 -0.96 -0.04 0.00 -1.56 0.00 0.00 55.97 53.41 2qba s LYS 34 Cb -0.05 -2.66 -0.02 0.00 -1.46 0.00 0.00 37.83 33.64 2qba s LYS 34 CO -0.04 0.41 0.27 0.00 0.16 0.00 0.00 175.35 176.16 2qba h ALA 35 N 1.44 -0.25 0.00 3.13 0.00 -1.17 -3.20 119.26 119.21 2qba h ALA 35 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qba h ALA 35 Cb 1.23 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qba h ALA 35 CO 0.61 -0.24 0.00 0.28 0.00 0.00 0.00 179.25 179.90 2qba n VAL 36 N -3.44 0.00 -4.37 0.00 0.31 -1.26 -3.95 118.33 105.61 2qba n VAL 36 Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.04 2qba n VAL 36 Cb 0.06 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.86 2qba n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2qba s GLY 37 N 0.00 1.53 0.68 2.92 0.00 -1.26 -4.57 107.32 106.62 2qba s GLY 37 Ca 0.00 -1.47 -0.11 0.00 0.00 0.00 0.00 44.72 43.14 2qba s GLY 37 CO 0.00 -1.47 1.06 1.09 0.00 0.00 0.00 173.10 173.78 2qba s ARG 38 N -2.24 3.09 0.00 2.90 1.70 -1.26 -3.66 118.95 119.48 2qba s ARG 38 Ca 0.14 0.74 0.00 0.00 -0.47 0.00 0.00 55.73 56.14 2qba s ARG 38 Cb -0.09 -2.02 0.00 0.00 -0.57 0.00 0.00 34.95 32.26 2qba s ARG 38 CO 0.07 -0.93 0.00 0.41 -1.08 0.00 0.00 175.30 173.77 2qba n GLY 39 N -2.51 -0.60 3.65 3.88 0.00 -0.26 -4.93 105.19 104.41 2qba n GLY 39 Ca 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 2qba n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qba s ARG 40 N -1.64 0.29 -0.27 1.61 1.70 -1.26 -3.00 118.95 116.38 2qba s ARG 40 Ca 0.00 0.47 -0.11 0.00 -0.47 0.00 0.00 55.73 55.62 2qba s ARG 40 Cb 0.00 0.08 -0.05 0.00 -0.57 0.00 0.00 34.95 34.41 2qba s ARG 40 CO 0.00 -0.05 0.19 -0.51 -1.08 0.00 0.00 175.30 173.84 2qba s LEU 41 N 1.01 4.05 0.00 -1.89 1.43 -0.30 -4.76 118.68 118.21 2qba s LEU 41 Ca -0.06 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2qba s LEU 41 Cb -0.04 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2qba s LEU 41 CO -0.13 -0.02 0.76 0.35 0.23 0.00 0.00 176.35 177.54 2qba n THR 42 N 4.85 0.68 0.00 5.49 -2.24 -1.26 0.28 114.28 122.09 2qba n THR 42 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2qba n THR 42 Cb 0.52 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 2qba n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qba n ALA 43 N 0.49 0.00 -0.28 6.98 0.00 -1.21 -4.07 120.51 122.43 2qba n ALA 43 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.78 2qba n ALA 43 Cb 0.38 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.52 2qba n ALA 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qba h ARG 44 N 0.00 0.00 0.06 0.00 2.43 -1.89 0.43 114.38 115.42 2qba h ARG 44 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qba h ARG 44 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2qba h ARG 44 CO 0.00 0.00 -0.03 1.96 -1.51 0.00 0.00 179.97 180.39 2qba h GLN 45 N 0.00 -0.08 -0.98 0.20 4.20 -1.93 -1.67 115.11 114.85 2qba h GLN 45 Ca 0.54 0.01 0.24 0.00 0.06 0.00 0.00 58.65 59.49 2qba h GLN 45 Cb 2.46 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 30.18 2qba h GLN 45 CO -0.01 0.21 0.64 -0.84 -0.67 0.00 0.00 178.83 178.17 2qba h ILE 46 N -1.00 0.60 0.03 2.54 3.07 -0.75 0.55 117.51 122.56 2qba h ILE 46 Ca -0.01 -0.13 -0.00 0.00 1.55 0.00 0.00 64.86 66.27 2qba h ILE 46 Cb 0.33 0.18 0.00 0.00 -0.27 0.00 0.00 36.82 37.06 2qba h ILE 46 CO 0.01 0.07 -0.02 -0.08 -1.05 0.00 0.00 178.15 177.09 2qba h GLU 47 N 0.38 -0.04 -0.34 0.16 4.22 -0.43 0.12 114.58 118.64 2qba h GLU 47 Ca 0.53 0.00 0.10 0.00 0.08 0.00 0.00 59.36 60.07 2qba h GLU 47 Cb 1.37 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 2qba h GLU 47 CO -0.22 0.55 0.26 0.00 -2.18 0.00 0.00 179.01 177.42 2qba h ALA 48 N 0.24 2.27 0.10 2.92 0.00 0.13 -0.11 119.26 124.82 2qba h ALA 48 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2qba h ALA 48 Cb 0.61 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.44 2qba h ALA 48 CO 0.01 -0.43 -0.59 0.00 0.00 0.00 0.00 179.25 178.23 2qba h ALA 49 N 1.81 -0.06 -0.50 0.00 0.00 0.08 -3.22 119.26 117.36 2qba h ALA 49 Ca 0.16 -0.65 0.09 0.00 0.00 0.00 0.00 54.91 54.52 2qba h ALA 49 Cb 0.68 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2qba h ALA 49 CO -0.00 0.28 0.07 -0.09 0.00 0.00 0.00 179.25 179.51 2qba h ARG 50 N -0.55 0.19 0.26 0.00 2.43 0.53 0.41 114.38 117.65 2qba h ARG 50 Ca -0.10 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2qba h ARG 50 Cb 1.47 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 2qba h ARG 50 CO 0.11 0.13 -0.30 0.00 -1.51 0.00 0.00 179.97 178.40 2qba h ARG 51 N 0.20 -0.54 -0.87 0.20 3.08 -1.19 0.21 114.38 115.47 2qba h ARG 51 Ca 0.25 0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.54 2qba h ARG 51 Cb 0.35 0.12 -0.12 0.00 0.08 0.00 0.00 29.97 30.41 2qba h ARG 51 CO -0.35 -0.36 0.38 0.00 -1.07 0.00 0.00 179.97 178.57 2qba h ALA 52 N -1.21 1.36 0.11 0.04 0.00 -1.52 0.32 119.26 118.35 2qba h ALA 52 Ca -0.03 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2qba h ALA 52 Cb 0.50 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2qba h ALA 52 CO -0.06 -0.29 -0.37 1.98 0.00 0.00 0.00 179.25 180.51 2qba h MET 53 N 0.43 -0.57 0.29 0.00 1.85 -0.24 -2.71 114.93 113.99 2qba h MET 53 Ca 0.53 0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.66 2qba h MET 53 Cb 0.95 0.13 -0.02 0.00 0.43 0.00 0.00 31.60 33.09 2qba h MET 53 CO -0.49 -0.38 -0.27 1.15 -0.40 0.00 0.00 176.91 176.52 2qba h THR 54 N -0.59 0.44 -0.13 -0.77 2.02 0.18 -3.28 112.91 110.77 2qba h THR 54 Ca 0.03 0.00 -0.44 0.00 0.77 0.00 0.00 66.41 66.77 2qba h THR 54 Cb 0.63 0.44 0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2qba h THR 54 CO -0.23 0.00 1.37 -1.14 0.37 0.00 0.00 175.52 175.89 2qba n ARG 55 N -5.39 0.91 0.00 6.66 0.63 0.89 0.00 116.66 120.36 2qba n ARG 55 Ca -0.09 -1.77 0.00 0.00 -0.92 0.00 0.00 57.85 55.07 2qba n ARG 55 Cb 0.29 -3.20 0.00 0.00 0.45 0.00 0.00 32.46 30.01 2qba n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qba n ALA 56 N 11.77 0.00 0.54 5.13 0.00 -1.24 -4.84 120.51 131.87 2qba n ALA 56 Ca 0.46 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.96 2qba n ALA 56 Cb 0.43 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.07 2qba n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qba n VAL 57 N 0.00 0.79 0.00 0.00 0.31 0.10 -4.95 118.33 114.58 2qba n VAL 57 Ca 0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 2qba n VAL 57 Cb 0.00 0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 2qba n VAL 57 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qba n LYS 58 N 0.56 0.00 0.00 5.55 4.01 -1.14 -1.69 118.16 125.46 2qba n LYS 58 Ca 0.14 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.94 2qba n LYS 58 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.97 2qba n LYS 58 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2qba n ARG 59 N 0.00 0.41 -1.21 1.97 0.00 -1.26 -4.81 116.66 111.76 2qba n ARG 59 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 2qba n ARG 59 Cb 0.00 -0.04 0.11 0.00 -0.00 0.00 0.00 32.46 32.53 2qba n ARG 59 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2qba s GLN 60 N -0.14 1.89 0.00 2.89 -2.07 -0.68 -4.87 119.66 116.69 2qba s GLN 60 Ca 0.00 1.53 0.00 0.00 -1.82 0.00 0.00 55.36 55.07 2qba s GLN 60 Cb 0.00 -1.83 0.00 0.00 -1.09 0.00 0.00 33.01 30.09 2qba s GLN 60 CO 0.00 -1.97 0.00 0.41 -1.32 0.00 0.00 175.29 172.41 2qba n GLY 61 N -0.10 -1.97 3.18 2.60 0.00 -0.50 -4.86 105.19 103.53 2qba n GLY 61 Ca 0.12 -1.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 2qba n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qba s LYS 62 N -2.14 1.78 0.32 1.61 2.20 -1.26 -4.79 119.74 117.46 2qba s LYS 62 Ca 0.00 -0.68 0.09 0.00 -0.36 0.00 0.00 55.97 55.02 2qba s LYS 62 Cb 0.00 -1.61 -0.04 0.00 -1.51 0.00 0.00 37.83 34.67 2qba s LYS 62 CO 0.00 0.33 0.11 0.42 -0.36 0.00 0.00 175.35 175.85 2qba s ILE 63 N -0.19 3.16 0.01 5.43 1.09 -1.26 -3.27 121.20 126.17 2qba s ILE 63 Ca 0.01 -1.75 -0.03 0.00 -1.10 0.00 0.00 60.65 57.78 2qba s ILE 63 Cb -0.10 -2.96 -0.01 0.00 -1.06 0.00 0.00 42.46 38.33 2qba s ILE 63 CO 0.01 -0.23 0.04 0.26 -0.10 0.00 0.00 174.94 174.92 2qba s TRP 64 N -2.40 0.14 -0.51 3.97 0.51 -0.64 -4.91 118.94 115.11 2qba s TRP 64 Ca 0.36 -0.30 0.04 0.00 -2.12 0.00 0.00 56.10 54.08 2qba s TRP 64 Cb -0.03 -0.11 0.16 0.00 -0.81 0.00 0.00 33.47 32.67 2qba s TRP 64 CO 0.22 -0.20 0.35 0.42 -0.51 0.00 0.00 176.95 177.23 2qba s ILE 65 N -1.24 1.44 -1.18 2.03 1.09 -1.26 -2.10 121.20 119.99 2qba s ILE 65 Ca -0.13 -3.08 0.13 0.00 -1.10 0.00 0.00 60.65 56.46 2qba s ILE 65 Cb -0.08 -1.98 0.15 0.00 -1.06 0.00 0.00 42.46 39.50 2qba s ILE 65 CO 0.00 -1.05 1.37 0.54 -0.10 0.00 0.00 174.94 175.70 2qba n ARG 66 N 2.84 0.08 -3.71 2.79 1.74 -0.98 -4.70 116.66 114.72 2qba n ARG 66 Ca 0.20 0.24 -0.34 0.00 -0.77 0.00 0.00 57.85 57.17 2qba n ARG 66 Cb 0.39 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 2qba n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2qba s VAL 67 N -2.82 5.24 -0.04 1.55 -7.23 -1.25 -5.00 120.40 110.85 2qba s VAL 67 Ca 0.09 0.22 -0.06 0.00 -1.81 0.00 0.00 61.98 60.41 2qba s VAL 67 Cb 0.08 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.44 2qba s VAL 67 CO 0.22 0.31 0.15 0.12 -0.31 0.00 0.00 175.10 175.59 2qba s PHE 68 N -1.36 -0.09 0.00 2.82 5.36 -1.26 -5.12 117.98 118.33 2qba s PHE 68 Ca 0.30 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 2qba s PHE 68 Cb -0.13 0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.56 2qba s PHE 68 CO 0.18 -0.17 0.23 -0.35 -1.46 0.00 0.00 175.22 173.65 2qba n PRO 69 N 2.37 0.00 0.00 10.12 -0.04 -1.26 -4.35 135.00 141.84 2qba n PRO 69 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2qba n PRO 69 Cb 0.57 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 33.34 2qba n PRO 69 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qba n ASP 70 N -0.26 0.00 -4.60 3.54 5.68 -1.25 -4.07 116.55 115.60 2qba n ASP 70 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 2qba n ASP 70 Cb 0.00 -0.30 -0.07 0.00 -1.14 0.00 0.00 41.12 39.61 2qba n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2qba s LYS 71 N 0.00 3.89 0.00 0.11 2.20 -0.84 -4.97 119.74 120.13 2qba s LYS 71 Ca 0.00 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 2qba s LYS 71 Cb 0.00 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2qba s LYS 71 CO 0.00 -0.53 0.61 -2.30 -0.36 0.00 0.00 175.35 172.77 2qba n PRO 72 N 5.78 0.00 -2.08 4.03 -0.02 -1.26 -0.16 135.00 141.29 2qba n PRO 72 Ca -0.02 0.32 -0.02 0.00 -2.02 0.00 0.00 63.50 61.75 2qba n PRO 72 Cb 0.49 -1.11 -0.02 0.00 -0.02 0.00 0.00 33.50 32.84 2qba n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2qba n ILE 73 N -1.08 -8.01 -0.06 4.25 2.08 -1.26 -3.66 119.36 111.61 2qba n ILE 73 Ca 0.00 1.36 0.00 0.00 0.56 0.00 0.00 62.75 64.67 2qba n ILE 73 Cb 0.00 -5.21 0.00 0.00 -0.75 0.00 0.00 39.64 33.68 2qba n ILE 73 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2qba n THR 74 N 0.77 0.00 0.00 1.39 -2.24 -1.26 -3.40 114.28 109.54 2qba n THR 74 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2qba n THR 74 Cb 0.27 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 2qba n THR 74 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2qba n GLU 75 N 0.00 0.00 -3.51 -0.78 2.13 -1.15 -4.60 120.64 112.74 2qba n GLU 75 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2qba n GLU 75 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2qba n GLU 75 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2qba s LYS 76 N -1.26 4.09 1.11 5.31 -0.14 -1.26 -4.04 119.74 123.54 2qba s LYS 76 Ca 0.00 0.26 -0.15 0.00 -1.36 0.00 0.00 55.97 54.72 2qba s LYS 76 Cb 0.00 -3.34 0.23 0.00 -1.68 0.00 0.00 37.83 33.04 2qba s LYS 76 CO 0.00 0.43 0.49 -2.30 -0.76 0.00 0.00 175.35 173.21 2qba n PRO 77 N 2.85 -2.92 0.00 -1.68 -0.02 -1.26 -5.00 135.00 126.97 2qba n PRO 77 Ca -0.12 -0.87 0.00 0.00 -2.02 0.00 0.00 63.50 60.49 2qba n PRO 77 Cb 0.52 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2qba n PRO 77 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2qba n LEU 78 N -2.34 0.00 -4.55 2.45 4.32 -1.26 -4.50 117.00 111.12 2qba n LEU 78 Ca 0.08 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.72 2qba n LEU 78 Cb 0.39 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.15 2qba n LEU 78 CO 0.26 0.00 1.75 0.00 -1.22 0.00 0.00 177.39 178.19 2qba s ALA 79 N -2.03 1.78 -0.29 -1.18 0.00 -1.26 -4.86 121.76 113.92 2qba s ALA 79 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 2qba s ALA 79 Cb 0.00 -4.36 0.13 0.00 0.00 0.00 0.00 23.12 18.89 2qba s ALA 79 CO 0.00 -4.36 0.80 0.54 0.00 0.00 0.00 175.76 172.74 2qba s VAL 80 N 10.99 -0.47 0.88 0.00 0.11 -1.26 -5.16 120.40 125.49 2qba s VAL 80 Ca 0.83 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.74 2qba s VAL 80 Cb -0.14 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.73 2qba s VAL 80 CO 0.21 0.00 0.53 0.54 -3.33 0.00 0.00 175.10 173.05 2qba n ARG 81 N 4.76 -0.11 -0.37 1.54 3.00 -1.26 -4.98 116.66 119.24 2qba n ARG 81 Ca -0.14 0.02 -0.08 0.00 -0.01 0.00 0.00 57.85 57.63 2qba n ARG 81 Cb 0.54 -1.92 0.06 0.00 0.00 0.00 0.00 32.46 31.14 2qba n ARG 81 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2qba n MET 82 N -1.70 -1.15 -1.30 5.56 2.81 -1.26 -4.70 117.12 115.38 2qba n MET 82 Ca 0.08 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.46 2qba n MET 82 Cb 0.52 -0.42 0.00 0.00 -0.71 0.00 0.00 33.22 32.61 2qba n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qba n GLY 83 N 1.25 0.00 0.00 3.03 0.00 -1.26 -4.87 105.19 103.34 2qba n GLY 83 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qba n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qba n LYS 84 N 0.98 0.00 0.00 1.61 4.76 -1.26 -5.13 118.16 119.12 2qba n LYS 84 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2qba n LYS 84 Cb 0.12 -0.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.28 2qba n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qba n GLY 85 N 0.00 4.38 3.69 0.72 0.00 -1.26 -5.05 105.19 107.66 2qba n GLY 85 Ca 0.00 -1.01 -0.54 0.00 0.00 0.00 0.00 46.02 44.47 2qba n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qba n LYS 86 N -0.75 1.51 -1.35 1.61 4.81 -1.26 -4.86 118.16 117.87 2qba n LYS 86 Ca 0.00 0.55 -0.37 0.00 -0.87 0.00 0.00 58.31 57.62 2qba n LYS 86 Cb 0.00 -2.32 0.06 0.00 0.02 0.00 0.00 35.03 32.79 2qba n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qba n GLY 87 N 4.44 -1.31 3.61 3.14 0.00 -1.26 -4.94 105.19 108.88 2qba n GLY 87 Ca 0.26 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2qba n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qba s ASN 88 N -1.40 2.24 0.37 1.61 2.20 -1.26 -4.33 114.94 114.38 2qba s ASN 88 Ca 0.68 2.02 -0.27 0.00 -0.94 0.00 0.00 52.86 54.36 2qba s ASN 88 Cb -0.38 -2.51 -0.09 0.00 -2.00 0.00 0.00 41.25 36.28 2qba s ASN 88 CO 0.55 -3.50 1.23 -0.69 -2.94 0.00 0.00 177.10 171.75 2qba s VAL 89 N -2.57 2.96 -0.03 3.54 1.01 -1.26 -2.92 120.40 121.12 2qba s VAL 89 Ca 0.68 0.87 -0.08 0.00 0.00 0.00 0.00 61.98 63.44 2qba s VAL 89 Cb -0.24 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2qba s VAL 89 CO 0.60 0.14 -0.16 1.21 0.00 0.00 0.00 175.10 176.88 2qba n GLU 90 N 0.38 0.25 0.00 2.72 4.07 -1.22 -4.91 120.64 121.93 2qba n GLU 90 Ca 0.03 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 2qba n GLU 90 Cb 0.44 -0.94 0.00 0.00 -0.06 0.00 0.00 31.44 30.89 2qba n GLU 90 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 2qba n TYR 91 N -3.95 0.00 -3.65 4.31 4.11 -1.25 -5.11 117.16 111.62 2qba n TYR 91 Ca -0.07 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.66 2qba n TYR 91 Cb 0.24 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.43 2qba n TYR 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2qba s TRP 92 N -0.03 -0.16 0.26 -3.48 0.52 -1.24 -4.42 118.94 110.39 2qba s TRP 92 Ca 0.00 0.51 0.07 0.00 0.02 0.00 0.00 56.10 56.70 2qba s TRP 92 Cb 0.00 -0.30 -0.03 0.00 -1.15 0.00 0.00 33.47 31.98 2qba s TRP 92 CO 0.00 -0.31 0.25 0.54 0.02 0.00 0.00 176.95 177.46 2qba s VAL 93 N 2.28 4.46 -0.40 4.03 0.11 0.78 -3.33 120.40 128.33 2qba s VAL 93 Ca 0.03 -1.30 0.03 0.00 -2.93 0.00 0.00 61.98 57.81 2qba s VAL 93 Cb -0.13 -3.46 0.11 0.00 -1.53 0.00 0.00 36.38 31.37 2qba s VAL 93 CO -0.06 -0.31 0.12 0.00 -3.33 0.00 0.00 175.10 171.52 2qba s ALA 94 N -2.13 3.04 -0.22 1.54 0.00 0.81 -1.99 121.76 122.81 2qba s ALA 94 Ca 0.35 -2.72 -0.29 0.00 0.00 0.00 0.00 51.96 49.29 2qba s ALA 94 Cb -0.08 -2.08 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 2qba s ALA 94 CO 0.26 -1.79 2.20 1.28 0.00 0.00 0.00 175.76 177.72 2qba n LEU 95 N 4.01 3.15 -4.28 0.00 4.32 -1.26 -1.15 117.00 121.78 2qba n LEU 95 Ca 0.04 0.28 -0.24 0.00 -0.02 0.00 0.00 56.01 56.07 2qba n LEU 95 Cb 0.40 -1.51 -0.13 0.00 -1.62 0.00 0.00 43.42 40.56 2qba n LEU 95 CO 0.26 -0.64 -0.52 0.27 -1.22 0.00 0.00 177.39 175.54 2qba s ILE 96 N 7.92 1.71 0.19 -0.08 -4.36 -1.16 -4.98 121.20 120.43 2qba s ILE 96 Ca 1.01 -1.51 0.02 0.00 -0.26 0.00 0.00 60.65 59.91 2qba s ILE 96 Cb -0.42 -1.55 -0.05 0.00 1.25 0.00 0.00 42.46 41.70 2qba s ILE 96 CO 0.38 -0.03 0.02 0.00 0.24 0.00 0.00 174.94 175.55 2qba s GLN 97 N -1.84 1.18 0.09 0.37 0.00 -1.26 -1.11 119.66 117.09 2qba s GLN 97 Ca 0.06 -1.58 -0.36 0.00 -0.00 0.00 0.00 55.36 53.48 2qba s GLN 97 Cb -0.10 -0.27 -0.17 0.00 0.00 0.00 0.00 33.01 32.47 2qba s GLN 97 CO 0.04 -0.17 1.18 -2.30 0.00 0.00 0.00 175.29 174.04 2qba n PRO 98 N -0.29 0.77 -0.57 9.60 -0.02 -1.24 -2.52 135.00 140.73 2qba n PRO 98 Ca -0.05 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2qba n PRO 98 Cb 0.64 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2qba n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qba n GLY 99 N 2.09 0.96 3.94 -1.23 0.00 -1.26 -1.07 105.19 108.62 2qba n GLY 99 Ca 0.18 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 2qba n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qba s LYS 100 N -1.35 3.45 -0.56 1.61 2.36 -1.05 -4.06 119.74 120.14 2qba s LYS 100 Ca 0.00 -0.54 -0.12 0.00 -2.55 0.00 0.00 55.97 52.76 2qba s LYS 100 Cb 0.00 -2.97 0.14 0.00 -1.05 0.00 0.00 37.83 33.96 2qba s LYS 100 CO 0.00 0.52 0.47 0.54 1.55 0.00 0.00 175.35 178.44 2qba s VAL 101 N -1.71 4.74 0.01 4.02 0.11 -1.00 -0.64 120.40 125.92 2qba s VAL 101 Ca 0.35 -1.87 -0.05 0.00 -2.93 0.00 0.00 61.98 57.48 2qba s VAL 101 Cb -0.11 -4.06 -0.03 0.00 -1.53 0.00 0.00 36.38 30.65 2qba s VAL 101 CO 0.28 -0.86 0.90 -0.07 -3.33 0.00 0.00 175.10 172.03 2qba h LEU 102 N 8.41 -0.17 0.00 2.54 -0.00 -1.54 -3.35 115.31 121.21 2qba h LEU 102 Ca -0.18 0.01 -0.28 0.00 -0.00 0.00 0.00 57.88 57.42 2qba h LEU 102 Cb 1.07 0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 41.71 2qba h LEU 102 CO 0.90 -0.10 -0.23 -1.22 -0.00 0.00 0.00 178.44 177.78 2qba n TYR 103 N -2.61 0.13 -3.68 1.13 4.02 -1.26 -2.32 117.16 112.57 2qba n TYR 103 Ca -0.02 -1.30 -0.11 0.00 -0.01 0.00 0.00 57.90 56.46 2qba n TYR 103 Cb 0.08 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.29 2qba n TYR 103 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2qba s GLU 104 N -2.79 0.57 0.57 -0.72 2.02 -0.89 -2.47 118.70 115.00 2qba s GLU 104 Ca 0.09 0.89 0.07 0.00 0.02 0.00 0.00 54.97 56.04 2qba s GLU 104 Cb 0.00 0.15 0.07 0.00 0.10 0.00 0.00 34.13 34.46 2qba s GLU 104 CO 0.06 -0.12 0.58 1.41 0.02 0.00 0.00 175.26 177.21 2qba s MET 105 N 1.01 2.23 0.00 1.61 1.75 -1.10 -1.62 119.30 123.19 2qba s MET 105 Ca -0.06 -1.93 0.00 0.00 -1.25 0.00 0.00 55.69 52.46 2qba s MET 105 Cb -0.06 -2.30 0.00 0.00 2.84 0.00 0.00 34.83 35.32 2qba s MET 105 CO -0.09 -0.78 0.00 -3.47 -0.65 0.00 0.00 175.02 170.03 2qba n ASP 106 N -2.00 0.00 -2.67 1.11 2.03 -1.20 -1.32 116.55 112.49 2qba n ASP 106 Ca 0.05 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.28 2qba n ASP 106 Cb 0.63 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.00 2qba n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qba n GLY 107 N -0.43 2.09 3.55 0.27 0.00 -1.26 -4.69 105.19 104.71 2qba n GLY 107 Ca 0.00 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 2qba n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qba s VAL 108 N 3.04 0.00 0.40 1.61 0.11 -1.26 -1.42 120.40 122.88 2qba s VAL 108 Ca 0.24 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.06 2qba s VAL 108 Cb 0.09 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.82 2qba s VAL 108 CO -0.01 0.00 0.75 -2.65 -3.33 0.00 0.00 175.10 169.86 2qba n PRO 109 N 1.23 0.87 0.25 1.54 -0.02 -1.26 -4.66 135.00 132.95 2qba n PRO 109 Ca -0.17 0.32 0.17 0.00 -2.02 0.00 0.00 63.50 61.79 2qba n PRO 109 Cb 0.57 -1.70 0.84 0.00 -0.02 0.00 0.00 33.50 33.19 2qba n PRO 109 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2qba h GLU 110 N 1.15 0.00 -0.01 -0.52 4.11 -2.00 0.22 114.58 117.54 2qba h GLU 110 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2qba h GLU 110 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2qba h GLU 110 CO 0.54 0.00 -0.35 0.39 0.07 0.00 0.00 179.01 179.66 2qba n GLU 111 N -2.77 0.65 -0.13 1.06 -0.58 -1.26 -3.50 120.64 114.10 2qba n GLU 111 Ca -0.01 -0.40 -0.29 0.00 -0.42 0.00 0.00 57.16 56.04 2qba n GLU 111 Cb 0.14 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.42 2qba n GLU 111 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2qba n LEU 112 N -0.82 1.96 -0.11 -4.62 -0.00 0.63 -3.62 117.00 110.41 2qba n LEU 112 Ca 0.10 0.35 -0.06 0.00 -0.00 0.00 0.00 56.01 56.40 2qba n LEU 112 Cb 0.35 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 2qba n LEU 112 CO 0.29 0.54 0.70 0.00 -0.00 0.00 0.00 177.39 178.92 2qba h ALA 113 N -0.92 0.02 -0.09 1.96 0.00 -1.31 -0.53 119.26 118.40 2qba h ALA 113 Ca -0.66 0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.42 2qba h ALA 113 Cb 1.58 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.84 2qba h ALA 113 CO -0.40 -0.60 -0.16 -0.09 0.00 0.00 0.00 179.25 178.00 2qba h ARG 114 N -0.16 -0.21 -3.91 0.00 2.43 -1.78 -1.81 114.38 108.93 2qba h ARG 114 Ca 0.18 0.01 -0.73 0.00 -0.81 0.00 0.00 59.98 58.64 2qba h ARG 114 Cb 0.45 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.96 2qba h ARG 114 CO -0.47 -0.14 2.58 -1.91 -1.51 0.00 0.00 179.97 178.51 2qba n GLU 115 N -5.30 3.20 0.00 0.20 0.00 -0.22 -2.89 120.64 115.63 2qba n GLU 115 Ca -0.04 -3.06 0.00 0.00 0.00 0.00 0.00 57.16 54.07 2qba n GLU 115 Cb 0.22 -3.14 0.00 0.00 0.00 0.00 0.00 31.44 28.52 2qba n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qba n ALA 116 N 5.28 0.00 0.26 4.31 0.00 -1.07 -4.78 120.51 124.51 2qba n ALA 116 Ca 0.46 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.05 2qba n ALA 116 Cb 0.38 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.53 2qba n ALA 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2qba h PHE 117 N 0.00 0.00 0.23 0.00 0.04 -1.26 0.46 116.94 116.41 2qba h PHE 117 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2qba h PHE 117 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2qba h PHE 117 CO 0.00 0.11 -0.11 -0.22 -0.60 0.00 0.00 178.31 177.49 2qba h LYS 118 N 0.00 -0.29 0.00 1.51 3.64 -1.78 1.21 116.57 120.86 2qba h LYS 118 Ca -0.00 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2qba h LYS 118 Cb 0.45 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2qba h LYS 118 CO 0.01 0.08 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.20 2qba h LEU 119 N -0.78 0.00 0.00 5.20 3.38 -1.73 0.03 115.31 121.41 2qba h LEU 119 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qba h LEU 119 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2qba h LEU 119 CO 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 178.44 178.45 2qba h ALA 120 N 2.00 0.00 0.00 1.53 0.00 -0.49 -3.32 119.26 118.97 2qba h ALA 120 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2qba h ALA 120 Cb 0.06 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qba h ALA 120 CO 0.00 0.13 0.30 0.00 0.00 0.00 0.00 179.25 179.68 2qba h ALA 121 N -1.26 1.24 -0.69 0.00 0.00 0.17 0.22 119.26 118.94 2qba h ALA 121 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.08 2qba h ALA 121 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2qba h ALA 121 CO 0.00 -0.24 0.48 0.00 0.00 0.00 0.00 179.25 179.49 2qba h ALA 122 N 1.30 2.34 0.00 0.00 0.00 -1.09 -2.95 119.26 118.86 2qba h ALA 122 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qba h ALA 122 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qba h ALA 122 CO 0.00 -0.54 -0.05 0.87 0.00 0.00 0.00 179.25 179.54 2qba h LYS 123 N 0.21 0.00 -2.73 0.00 1.79 -0.76 -3.47 116.57 111.61 2qba h LYS 123 Ca 0.34 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.44 2qba h LYS 123 Cb 1.02 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.69 2qba h LYS 123 CO -0.07 0.00 0.09 1.28 -1.08 0.00 0.00 179.45 179.67 2qba n LEU 124 N -2.86 0.12 -0.29 2.94 4.77 -1.11 -4.83 117.00 115.73 2qba n LEU 124 Ca -0.01 0.53 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 2qba n LEU 124 Cb 0.02 -0.42 0.10 0.00 -2.33 0.00 0.00 43.42 40.80 2qba n LEU 124 CO 0.01 -0.76 1.12 -0.65 -1.33 0.00 0.00 177.39 175.77 2qba h PRO 125 N 1.57 1.18 -7.20 3.23 0.11 -1.91 -3.44 132.00 125.53 2qba h PRO 125 Ca -0.23 -0.17 -0.50 0.00 0.11 0.00 0.00 66.00 65.22 2qba h PRO 125 Cb 0.65 -0.21 0.07 0.00 0.11 0.00 0.00 31.00 31.61 2qba h PRO 125 CO 0.33 0.90 0.38 0.42 -0.21 0.00 0.00 178.00 179.82 2qba s ILE 126 N -5.67 3.72 -0.57 4.15 1.09 -1.26 -4.99 121.20 117.66 2qba s ILE 126 Ca -0.12 0.81 -0.22 0.00 -1.10 0.00 0.00 60.65 60.01 2qba s ILE 126 Cb 0.16 -3.34 0.05 0.00 -1.06 0.00 0.00 42.46 38.28 2qba s ILE 126 CO 0.83 -0.49 0.88 -0.54 -0.10 0.00 0.00 174.94 175.51 2qba s LYS 127 N -4.10 3.22 0.22 2.79 3.01 -1.26 -5.02 119.74 118.59 2qba s LYS 127 Ca 0.64 -0.59 0.04 0.00 -1.01 0.00 0.00 55.97 55.05 2qba s LYS 127 Cb -0.17 -4.12 -0.03 0.00 -1.01 0.00 0.00 37.83 32.50 2qba s LYS 127 CO 0.38 -1.53 0.35 0.95 0.51 0.00 0.00 175.35 176.02 2qba s THR 128 N 3.67 5.26 0.33 2.17 -4.23 -1.25 -4.08 115.64 117.51 2qba s THR 128 Ca 0.24 -0.82 0.06 0.00 -1.18 0.00 0.00 61.69 59.99 2qba s THR 128 Cb -0.16 -3.82 -0.07 0.00 1.34 0.00 0.00 72.50 69.80 2qba s THR 128 CO 0.15 -0.26 0.01 0.28 -0.54 0.00 0.00 174.62 174.25 2qba s THR 129 N -1.93 1.57 0.32 3.99 -1.32 -1.21 -4.92 115.64 112.14 2qba s THR 129 Ca 0.35 -2.05 -0.06 0.00 -1.21 0.00 0.00 61.69 58.72 2qba s THR 129 Cb -0.10 -2.74 -0.05 0.00 -1.51 0.00 0.00 72.50 68.10 2qba s THR 129 CO 0.29 -0.10 0.60 0.12 -2.21 0.00 0.00 174.62 173.33 2qba s PHE 130 N -3.04 3.48 0.00 9.09 5.36 -1.26 -1.59 117.98 130.02 2qba s PHE 130 Ca 0.34 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 57.03 2qba s PHE 130 Cb 0.07 -2.17 0.00 0.00 -0.34 0.00 0.00 43.02 40.58 2qba s PHE 130 CO 0.15 0.11 0.00 0.28 -1.46 0.00 0.00 175.22 174.30 2qba n VAL 131 N -1.06 0.00 -3.98 3.12 0.31 -1.26 -4.87 118.33 110.58 2qba n VAL 131 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.25 2qba n VAL 131 Cb 0.54 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.45 2qba n VAL 131 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2qba n THR 132 N 0.00 0.00 0.12 2.52 -2.24 -1.26 -4.45 114.28 108.98 2qba n THR 132 Ca 0.00 -0.87 -0.06 0.00 -2.27 0.00 0.00 64.05 60.85 2qba n THR 132 Cb 0.00 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 2qba n THR 132 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2qba h LYS 133 N 0.00 -0.36 -3.44 -0.78 3.64 -1.03 -3.39 116.57 111.21 2qba h LYS 133 Ca -0.10 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2qba h LYS 133 Cb 0.47 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2qba h LYS 133 CO 0.14 -0.24 -0.80 2.41 -2.27 0.00 0.00 179.45 178.69 2qba n THR 134 N -4.47 -5.37 1.80 1.00 -1.04 -1.26 -4.52 114.28 100.41 2qba n THR 134 Ca -0.05 2.25 0.16 0.00 -2.04 0.00 0.00 64.05 64.36 2qba n THR 134 Cb 0.15 -3.16 0.88 0.00 -1.82 0.00 0.00 70.33 66.38 2qba n THR 134 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2qba n VAL 135 N 0.42 0.00 0.00 12.58 0.31 -1.26 -5.01 118.33 125.38 2qba n VAL 135 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qba n VAL 135 Cb 0.00 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2qba n VAL 135 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74