#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qao n LEU 2 N 0.00 0.00 -4.09 4.03 7.94 -1.26 -5.04 117.00 118.58 2qao n LEU 2 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 2qao n LEU 2 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 2qao n LEU 2 CO 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 177.39 175.95 2qao s GLN 3 N 0.00 0.70 0.17 1.96 -2.07 -1.26 -4.64 119.66 114.52 2qao s GLN 3 Ca 0.00 -1.26 -0.32 0.00 -1.82 0.00 0.00 55.36 51.97 2qao s GLN 3 Cb 0.00 0.23 -0.11 0.00 -1.09 0.00 0.00 33.01 32.03 2qao s GLN 3 CO 0.00 -0.15 1.76 -2.14 -1.32 0.00 0.00 175.29 173.43 2qao s PRO 4 N -3.95 4.13 0.21 9.60 0.02 -1.26 -4.87 135.00 138.89 2qao s PRO 4 Ca 0.11 2.59 0.18 0.00 0.02 0.00 0.00 61.00 63.90 2qao s PRO 4 Cb 0.08 -3.29 0.86 0.00 0.02 0.00 0.00 34.50 32.16 2qao s PRO 4 CO -0.07 -0.78 1.56 1.63 -0.33 0.00 0.00 177.00 179.00 2qao n LYS 5 N 4.68 0.12 -3.86 5.54 4.76 -1.26 -4.80 118.16 123.35 2qao n LYS 5 Ca 0.17 0.49 -0.08 0.00 -2.87 0.00 0.00 58.31 56.01 2qao n LYS 5 Cb 0.37 -1.80 -0.01 0.00 -1.84 0.00 0.00 35.03 31.75 2qao n LYS 5 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2qao s ARG 6 N -3.31 1.89 -0.23 1.97 3.52 -1.26 -5.18 118.95 116.35 2qao s ARG 6 Ca 0.02 -1.11 -0.30 0.00 -0.13 0.00 0.00 55.73 54.20 2qao s ARG 6 Cb 0.07 0.61 0.16 0.00 -1.56 0.00 0.00 34.95 34.23 2qao s ARG 6 CO 0.25 -0.87 1.20 0.95 -0.81 0.00 0.00 175.30 176.03 2qao s THR 7 N -3.54 0.00 0.17 4.11 -4.23 -1.26 -5.05 115.64 105.84 2qao s THR 7 Ca 0.13 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.55 2qao s THR 7 Cb -0.06 -1.00 -0.00 0.00 1.34 0.00 0.00 72.50 72.78 2qao s THR 7 CO 0.08 0.00 1.54 0.50 -0.54 0.00 0.00 174.62 176.21 2qao h LYS 8 N 2.24 0.92 -5.46 3.99 1.63 -2.03 -3.44 116.57 114.42 2qao h LYS 8 Ca -0.12 -0.42 -0.48 0.00 -0.85 0.00 0.00 60.65 58.78 2qao h LYS 8 Cb 1.18 -0.02 -0.26 0.00 -0.60 0.00 0.00 32.23 32.53 2qao h LYS 8 CO 0.26 1.08 -0.81 -0.06 -3.45 0.00 0.00 179.45 176.47 2qao s PHE 9 N -4.56 1.35 0.08 1.91 0.08 -1.26 -5.05 117.98 110.54 2qao s PHE 9 Ca -0.11 -0.32 0.18 0.00 0.12 0.00 0.00 56.93 56.80 2qao s PHE 9 Cb 0.12 -0.82 0.55 0.00 -0.57 0.00 0.00 43.02 42.30 2qao s PHE 9 CO 0.87 0.03 1.67 -0.09 -0.10 0.00 0.00 175.22 177.59 2qao h ARG 10 N 5.18 0.00 -3.69 0.44 2.43 -2.03 -3.44 114.38 113.28 2qao h ARG 10 Ca -0.38 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 58.37 2qao h ARG 10 Cb 1.17 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 30.34 2qao h ARG 10 CO 0.45 0.40 -0.76 0.15 -1.51 0.00 0.00 179.97 178.70 2qao s LYS 11 N -3.44 0.53 0.34 0.20 1.02 -1.26 -4.82 119.74 112.30 2qao s LYS 11 Ca 0.01 0.12 0.01 0.00 0.02 0.00 0.00 55.97 56.13 2qao s LYS 11 Cb 0.10 -0.87 -0.03 0.00 -0.52 0.00 0.00 37.83 36.50 2qao s LYS 11 CO 0.70 -0.28 0.53 1.41 -0.92 0.00 0.00 175.35 176.79 2qao s MET 12 N 1.84 3.46 0.00 1.68 1.75 -1.26 -5.11 119.30 121.66 2qao s MET 12 Ca 0.03 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.06 2qao s MET 12 Cb -0.12 -2.69 0.00 0.00 2.84 0.00 0.00 34.83 34.86 2qao s MET 12 CO -0.04 0.17 0.00 0.72 -0.65 0.00 0.00 175.02 175.21 2qao n HIS 13 N -1.75 -2.38 -0.07 4.11 8.25 -1.26 -4.76 115.22 117.35 2qao n HIS 13 Ca -0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.33 2qao n HIS 13 Cb 0.56 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 2qao n HIS 13 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2qao h LYS 14 N 0.00 0.00 0.00 -0.41 3.64 -2.06 -3.46 116.57 114.27 2qao h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qao h LYS 14 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2qao h LYS 14 CO 0.00 0.28 0.00 0.41 -2.27 0.00 0.00 179.45 177.87 2qao n GLY 15 N 1.62 0.96 3.67 5.01 0.00 -1.26 -5.00 105.19 110.19 2qao n GLY 15 Ca -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2qao n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qao s ARG 16 N 0.00 0.61 0.52 1.61 1.70 -1.26 -5.19 118.95 116.94 2qao s ARG 16 Ca 0.00 -0.34 0.04 0.00 -0.47 0.00 0.00 55.73 54.96 2qao s ARG 16 Cb 0.00 0.21 0.04 0.00 -0.57 0.00 0.00 34.95 34.62 2qao s ARG 16 CO 0.00 -0.28 0.71 -0.80 -1.08 0.00 0.00 175.30 173.86 2qao s ASN 17 N -3.00 5.33 -0.16 -2.89 0.02 -1.26 -5.06 114.94 107.92 2qao s ASN 17 Ca 0.14 -0.27 0.11 0.00 -1.02 0.00 0.00 52.86 51.82 2qao s ASN 17 Cb 0.03 -0.62 0.28 0.00 0.02 0.00 0.00 41.25 40.97 2qao s ASN 17 CO -0.02 -1.07 1.24 0.54 0.02 0.00 0.00 177.10 177.81 2qao n ARG 18 N -2.18 0.76 -0.42 -0.60 5.12 -1.26 -5.16 116.66 112.91 2qao n ARG 18 Ca 0.09 -1.56 0.06 0.00 -1.93 0.00 0.00 57.85 54.51 2qao n ARG 18 Cb 0.60 0.12 -0.01 0.00 -1.16 0.00 0.00 32.46 32.00 2qao n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qao n GLY 19 N -0.60 -0.58 2.87 -0.13 0.00 -1.26 -4.97 105.19 100.52 2qao n GLY 19 Ca -0.15 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 2qao n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qao n LEU 20 N 0.00 -6.83 -4.66 0.99 7.99 -0.88 -4.80 117.00 108.81 2qao n LEU 20 Ca 0.00 1.05 -0.30 0.00 -0.01 0.00 0.00 56.01 56.75 2qao n LEU 20 Cb 0.19 -2.90 0.21 0.00 -0.11 0.00 0.00 43.42 40.81 2qao n LEU 20 CO 0.00 -2.61 0.66 0.00 -1.51 0.00 0.00 177.39 173.93 2qao s ALA 21 N -1.60 0.93 -0.10 -1.18 0.00 0.16 -4.93 121.76 115.04 2qao s ALA 21 Ca 0.04 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 2qao s ALA 21 Cb -0.01 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 2qao s ALA 21 CO 0.62 -3.21 -0.17 1.04 0.00 0.00 0.00 175.76 174.04 2qao n GLN 22 N -4.46 0.30 -1.90 0.00 1.13 -1.26 -4.79 117.38 106.40 2qao n GLN 22 Ca 0.11 0.25 -0.38 0.00 -1.94 0.00 0.00 57.00 55.05 2qao n GLN 22 Cb 0.59 -1.18 -0.03 0.00 0.11 0.00 0.00 30.24 29.73 2qao n GLN 22 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2qao s GLY 23 N -3.91 0.01 0.00 1.08 0.00 -1.26 -4.77 107.32 98.47 2qao s GLY 23 Ca -0.14 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.10 2qao s GLY 23 CO 0.21 3.63 0.00 2.41 0.00 0.00 0.00 173.10 179.35 2qao n THR 24 N 7.45 0.00 -1.70 0.90 -1.04 -1.26 -2.46 114.28 116.17 2qao n THR 24 Ca 0.25 0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.93 2qao n THR 24 Cb 0.53 -1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 67.99 2qao n THR 24 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2qao s ASP 25 N -1.40 6.43 0.17 8.00 1.01 -1.26 -4.61 116.67 125.01 2qao s ASP 25 Ca 0.00 2.73 -0.33 0.00 0.71 0.00 0.00 52.55 55.66 2qao s ASP 25 Cb 0.00 -2.56 -0.15 0.00 1.01 0.00 0.00 42.92 41.23 2qao s ASP 25 CO 0.00 -1.02 1.36 0.55 0.21 0.00 0.00 175.17 176.27 2qao n VAL 26 N 4.99 0.55 -2.48 -1.27 3.14 -1.26 -4.92 118.33 117.09 2qao n VAL 26 Ca 0.18 -0.14 -0.08 0.00 -2.96 0.00 0.00 64.34 61.35 2qao n VAL 26 Cb 0.39 -1.18 0.04 0.00 -1.06 0.00 0.00 33.84 32.03 2qao n VAL 26 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2qao n SER 27 N 2.44 2.70 0.00 6.55 7.64 -1.26 -4.79 113.62 126.90 2qao n SER 27 Ca 0.15 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2qao n SER 27 Cb 0.27 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2qao n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2qao n PHE 28 N -0.58 0.00 -1.18 1.43 3.72 -1.26 -5.15 117.46 114.44 2qao n PHE 28 Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2qao n PHE 28 Cb 0.88 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.42 2qao n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qao n GLY 29 N -0.36 5.27 0.00 1.37 0.00 -1.26 -4.93 105.19 105.29 2qao n GLY 29 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2qao n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qao n SER 30 N 0.00 0.30 0.00 1.61 3.41 0.23 -4.68 113.62 114.49 2qao n SER 30 Ca 0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 2qao n SER 30 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qao n SER 30 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qao n PHE 31 N -0.03 0.00 0.00 7.33 3.01 -0.27 -2.21 117.46 125.29 2qao n PHE 31 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2qao n PHE 31 Cb 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 2qao n PHE 31 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qao n GLY 32 N 0.00 2.23 3.76 1.37 0.00 -1.25 -4.15 105.19 107.15 2qao n GLY 32 Ca 0.00 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.53 2qao n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qao s LEU 33 N 0.00 3.96 0.22 0.99 1.43 -1.11 -3.11 118.68 121.05 2qao s LEU 33 Ca 0.00 0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.45 2qao s LEU 33 Cb 0.00 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2qao s LEU 33 CO 0.00 0.37 0.12 -0.75 0.23 0.00 0.00 176.35 176.32 2qao s LYS 34 N -0.83 2.73 0.00 1.70 2.47 -0.15 -0.57 119.74 125.10 2qao s LYS 34 Ca 0.13 -1.08 0.00 0.00 -1.56 0.00 0.00 55.97 53.46 2qao s LYS 34 Cb -0.12 -2.48 0.00 0.00 -1.46 0.00 0.00 37.83 33.77 2qao s LYS 34 CO 0.03 0.42 0.53 0.00 0.16 0.00 0.00 175.35 176.50 2qao n ALA 35 N -0.76 -0.11 0.00 3.13 0.00 0.11 -2.59 120.51 120.29 2qao n ALA 35 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2qao n ALA 35 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2qao n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qao n VAL 36 N -0.91 0.00 -3.97 0.00 0.31 -1.26 -3.64 118.33 108.87 2qao n VAL 36 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2qao n VAL 36 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 2qao n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2qao s GLY 37 N -1.52 0.49 0.32 2.92 0.00 -1.26 -4.86 107.32 103.41 2qao s GLY 37 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 44.72 43.78 2qao s GLY 37 CO 0.00 -0.89 0.44 0.54 0.00 0.00 0.00 173.10 173.19 2qao n ARG 38 N -0.18 0.02 0.00 2.90 1.74 -1.26 -2.60 116.66 117.27 2qao n ARG 38 Ca -0.08 -0.95 0.00 0.00 -0.77 0.00 0.00 57.85 56.05 2qao n ARG 38 Cb 0.63 -0.36 0.00 0.00 -1.02 0.00 0.00 32.46 31.71 2qao n ARG 38 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qao n GLY 39 N 1.88 0.61 2.94 -0.13 0.00 -1.17 -4.68 105.19 104.64 2qao n GLY 39 Ca 0.06 -2.32 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 2qao n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qao s ARG 40 N -0.63 0.35 -0.24 1.61 1.70 -1.26 -1.58 118.95 118.90 2qao s ARG 40 Ca 0.00 -0.14 -0.16 0.00 -0.47 0.00 0.00 55.73 54.96 2qao s ARG 40 Cb 0.00 -0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.00 2qao s ARG 40 CO 0.00 0.08 0.40 -0.51 -1.08 0.00 0.00 175.30 174.19 2qao s LEU 41 N -0.05 4.09 0.00 -1.89 1.43 0.15 -4.77 118.68 117.64 2qao s LEU 41 Ca 0.01 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 2qao s LEU 41 Cb -0.02 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2qao s LEU 41 CO -0.00 -0.14 0.44 0.41 0.23 0.00 0.00 176.35 177.28 2qao n THR 42 N 4.76 0.38 0.00 5.49 -1.04 -1.26 0.19 114.28 122.79 2qao n THR 42 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2qao n THR 42 Cb 0.51 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 2qao n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qao n ALA 43 N 0.63 0.00 -0.46 2.41 0.00 -1.22 -3.68 120.51 118.20 2qao n ALA 43 Ca 0.00 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.84 2qao n ALA 43 Cb 0.22 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.41 2qao n ALA 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qao h ARG 44 N 0.00 0.04 0.40 0.00 2.43 -1.87 0.58 114.38 115.96 2qao h ARG 44 Ca 0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2qao h ARG 44 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2qao h ARG 44 CO 0.00 0.03 -0.19 1.96 -1.51 0.00 0.00 179.97 180.25 2qao h GLN 45 N 0.04 -0.52 -0.57 0.20 4.20 -1.92 0.19 115.11 116.73 2qao h GLN 45 Ca 0.71 0.04 0.17 0.00 0.06 0.00 0.00 58.65 59.62 2qao h GLN 45 Cb 2.71 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 30.59 2qao h GLN 45 CO -0.08 -0.25 0.53 -0.84 -0.67 0.00 0.00 178.83 177.52 2qao h ILE 46 N -1.06 0.43 0.14 2.54 3.07 -0.32 0.63 117.51 122.94 2qao h ILE 46 Ca -0.05 0.00 -0.32 0.00 1.55 0.00 0.00 64.86 66.03 2qao h ILE 46 Cb 0.51 0.60 -0.00 0.00 -0.27 0.00 0.00 36.82 37.66 2qao h ILE 46 CO 0.09 0.00 -1.61 -0.08 -1.05 0.00 0.00 178.15 175.50 2qao h GLU 47 N 0.00 0.30 -0.11 0.16 4.22 -0.55 -1.99 114.58 116.63 2qao h GLU 47 Ca 0.27 -0.52 -0.07 0.00 0.08 0.00 0.00 59.36 59.12 2qao h GLU 47 Cb 1.32 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 2qao h GLU 47 CO -0.00 1.18 -0.27 0.00 -2.18 0.00 0.00 179.01 177.74 2qao h ALA 48 N 0.36 1.35 0.14 2.92 0.00 0.32 -2.57 119.26 121.78 2qao h ALA 48 Ca -0.28 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.10 2qao h ALA 48 Cb 2.05 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 19.78 2qao h ALA 48 CO 0.17 0.45 -0.99 0.00 0.00 0.00 0.00 179.25 178.89 2qao h ALA 49 N 1.55 -0.07 -0.70 0.00 0.00 -0.13 -3.27 119.26 116.65 2qao h ALA 49 Ca 0.03 -0.72 0.14 0.00 0.00 0.00 0.00 54.91 54.36 2qao h ALA 49 Cb 0.58 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 2qao h ALA 49 CO 0.04 0.49 0.17 -0.09 0.00 0.00 0.00 179.25 179.86 2qao h ARG 50 N -0.12 0.28 -0.83 0.00 2.43 -1.13 0.36 114.38 115.37 2qao h ARG 50 Ca -0.16 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.04 2qao h ARG 50 Cb 1.74 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 31.18 2qao h ARG 50 CO 0.19 0.18 0.52 0.00 -1.51 0.00 0.00 179.97 179.35 2qao h ARG 51 N 0.29 0.95 -0.07 0.20 3.08 -1.55 -2.16 114.38 115.11 2qao h ARG 51 Ca 0.38 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.41 2qao h ARG 51 Cb 0.62 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 2qao h ARG 51 CO -0.46 0.63 -0.17 0.00 -1.07 0.00 0.00 179.97 178.90 2qao h ALA 52 N 1.37 -0.14 -0.21 0.04 0.00 -0.99 0.12 119.26 119.46 2qao h ALA 52 Ca 0.35 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.32 2qao h ALA 52 Cb 0.10 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2qao h ALA 52 CO -0.15 -0.64 -0.37 0.52 0.00 0.00 0.00 179.25 178.61 2qao h MET 53 N -0.24 -0.30 -0.23 0.00 2.86 -0.85 -2.11 114.93 114.06 2qao h MET 53 Ca 0.08 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.78 2qao h MET 53 Cb 0.35 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.00 2qao h MET 53 CO -0.21 -0.20 -0.48 1.15 1.06 0.00 0.00 176.91 178.23 2qao h THR 54 N -0.32 0.08 0.00 2.22 2.02 -1.16 -1.16 112.91 114.59 2qao h THR 54 Ca 0.04 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.99 2qao h THR 54 Cb 0.42 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2qao h THR 54 CO -0.36 0.00 1.88 -1.14 0.37 0.00 0.00 175.52 176.27 2qao n ARG 55 N -5.43 1.29 0.02 6.66 3.00 0.39 -0.72 116.66 121.88 2qao n ARG 55 Ca -0.04 -1.05 0.00 0.00 -0.00 0.00 0.00 57.85 56.76 2qao n ARG 55 Cb 0.36 -2.24 0.00 0.00 0.00 0.00 0.00 32.46 30.59 2qao n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qao n ALA 56 N 4.34 0.00 0.31 5.13 0.00 -0.91 -4.86 120.51 124.52 2qao n ALA 56 Ca 0.28 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.88 2qao n ALA 56 Cb 0.11 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.31 2qao n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qao h VAL 57 N 0.00 0.00 0.00 0.00 2.07 0.01 -3.45 116.25 114.88 2qao h VAL 57 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2qao h VAL 57 Cb 0.00 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2qao h VAL 57 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 2qao n LYS 58 N -2.77 0.00 0.00 1.57 4.01 0.10 -4.10 118.16 116.97 2qao n LYS 58 Ca -0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2qao n LYS 58 Cb 0.20 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.72 2qao n LYS 58 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2qao n ARG 59 N 0.00 0.00 -0.09 1.97 0.63 -1.26 -4.92 116.66 112.99 2qao n ARG 59 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 2qao n ARG 59 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 2qao n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qao n GLN 60 N 0.00 0.00 0.00 -0.14 10.64 -1.26 -4.78 117.38 121.84 2qao n GLN 60 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2qao n GLN 60 Cb 0.00 -0.08 0.00 0.00 -0.86 0.00 0.00 30.24 29.30 2qao n GLN 60 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qao n GLY 61 N 0.25 3.91 3.62 2.61 0.00 -0.94 -4.53 105.19 110.11 2qao n GLY 61 Ca 0.02 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 2qao n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qao s LYS 62 N -4.37 3.25 0.15 1.61 2.20 -1.26 -4.83 119.74 116.48 2qao s LYS 62 Ca 0.00 -0.45 0.09 0.00 -0.36 0.00 0.00 55.97 55.25 2qao s LYS 62 Cb 0.00 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 2qao s LYS 62 CO 0.00 0.53 -0.15 0.42 -0.36 0.00 0.00 175.35 175.79 2qao s ILE 63 N -0.41 2.94 0.10 5.43 1.09 -1.26 -3.24 121.20 125.85 2qao s ILE 63 Ca 0.07 -1.61 0.04 0.00 -1.10 0.00 0.00 60.65 58.05 2qao s ILE 63 Cb -0.12 -2.40 -0.04 0.00 -1.06 0.00 0.00 42.46 38.84 2qao s ILE 63 CO 0.02 -0.00 -0.10 0.26 -0.10 0.00 0.00 174.94 175.02 2qao s TRP 64 N -1.41 1.07 -0.43 3.97 0.51 0.54 -4.92 118.94 118.26 2qao s TRP 64 Ca 0.21 -0.65 0.05 0.00 -2.12 0.00 0.00 56.10 53.59 2qao s TRP 64 Cb -0.10 -0.58 0.20 0.00 -0.81 0.00 0.00 33.47 32.18 2qao s TRP 64 CO 0.12 0.00 0.42 -0.89 -0.51 0.00 0.00 176.95 176.09 2qao n ILE 65 N 0.58 -0.79 0.14 2.03 5.41 -1.26 -1.73 119.36 123.72 2qao n ILE 65 Ca -0.16 -3.74 0.09 0.00 1.00 0.00 0.00 62.75 59.94 2qao n ILE 65 Cb 0.58 -1.79 0.50 0.00 -0.71 0.00 0.00 39.64 38.21 2qao n ILE 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2qao n ARG 66 N 2.29 0.12 -3.07 0.38 1.74 -1.11 -4.64 116.66 112.36 2qao n ARG 66 Ca 0.27 0.62 -0.30 0.00 -0.77 0.00 0.00 57.85 57.66 2qao n ARG 66 Cb 0.49 -1.89 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 2qao n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2qao s VAL 67 N -3.46 4.84 -0.11 1.55 -7.23 -1.24 -5.02 120.40 109.72 2qao s VAL 67 Ca -0.02 0.52 -0.19 0.00 -1.81 0.00 0.00 61.98 60.48 2qao s VAL 67 Cb 0.05 -3.70 0.05 0.00 0.56 0.00 0.00 36.38 33.34 2qao s VAL 67 CO 0.17 -0.37 0.48 0.12 -0.31 0.00 0.00 175.10 175.18 2qao s PHE 68 N -2.18 -0.46 0.00 2.82 5.36 -1.26 -5.12 117.98 117.13 2qao s PHE 68 Ca 0.50 0.99 0.00 0.00 -0.96 0.00 0.00 56.93 57.45 2qao s PHE 68 Cb -0.10 0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.78 2qao s PHE 68 CO 0.28 -0.36 0.21 -0.35 -1.46 0.00 0.00 175.22 173.53 2qao n PRO 69 N 2.01 0.00 0.00 10.12 -0.04 -1.26 -4.44 135.00 141.39 2qao n PRO 69 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2qao n PRO 69 Cb 0.56 -0.66 0.00 0.00 -0.04 0.00 0.00 33.50 33.37 2qao n PRO 69 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qao n ASP 70 N -0.28 0.00 -4.57 3.54 5.68 -1.24 -4.22 116.55 115.46 2qao n ASP 70 Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.90 2qao n ASP 70 Cb 0.00 -0.64 -0.10 0.00 -1.14 0.00 0.00 41.12 39.24 2qao n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2qao s LYS 71 N 0.00 3.78 0.00 0.11 2.20 -1.04 -4.98 119.74 119.80 2qao s LYS 71 Ca 0.00 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 2qao s LYS 71 Cb 0.00 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2qao s LYS 71 CO 0.00 -0.33 0.60 -2.30 -0.36 0.00 0.00 175.35 172.96 2qao n PRO 72 N 5.19 0.00 -1.90 4.03 -0.02 -1.26 -0.62 135.00 140.41 2qao n PRO 72 Ca -0.12 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 61.73 2qao n PRO 72 Cb 0.51 -1.10 -0.01 0.00 -0.02 0.00 0.00 33.50 32.88 2qao n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2qao n ILE 73 N -1.14 -5.96 -0.38 4.25 2.08 -1.26 -3.58 119.36 113.37 2qao n ILE 73 Ca 0.00 0.80 0.00 0.00 0.56 0.00 0.00 62.75 64.11 2qao n ILE 73 Cb 0.00 -4.80 0.00 0.00 -0.75 0.00 0.00 39.64 34.09 2qao n ILE 73 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2qao n THR 74 N 0.41 0.00 -3.63 1.39 -2.24 -1.26 -3.38 114.28 105.57 2qao n THR 74 Ca -0.07 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 2qao n THR 74 Cb 0.11 -1.48 -0.05 0.00 -2.10 0.00 0.00 70.33 66.82 2qao n THR 74 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qao s GLU 75 N -1.56 0.18 -0.09 -0.78 2.12 -1.05 -4.63 118.70 112.89 2qao s GLU 75 Ca 0.00 0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.38 2qao s GLU 75 Cb 0.00 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.45 2qao s GLU 75 CO 0.00 -0.05 -0.03 0.15 -0.54 0.00 0.00 175.26 174.78 2qao s LYS 76 N -0.91 2.98 0.96 4.30 1.02 -1.26 -3.38 119.74 123.45 2qao s LYS 76 Ca 0.06 -0.48 -0.15 0.00 0.02 0.00 0.00 55.97 55.42 2qao s LYS 76 Cb -0.01 -2.73 0.08 0.00 -0.52 0.00 0.00 37.83 34.65 2qao s LYS 76 CO -0.07 0.62 -0.06 -2.30 -0.92 0.00 0.00 175.35 172.63 2qao n PRO 77 N 2.37 -1.53 0.00 -1.68 -0.02 -1.26 -5.00 135.00 127.88 2qao n PRO 77 Ca -0.18 -0.45 0.00 0.00 -2.02 0.00 0.00 63.50 60.85 2qao n PRO 77 Cb 0.53 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 2qao n PRO 77 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2qao n LEU 78 N -0.12 0.00 -4.45 2.45 -0.00 -1.26 -4.30 117.00 109.33 2qao n LEU 78 Ca 0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.76 2qao n LEU 78 Cb 0.42 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.77 2qao n LEU 78 CO 0.29 0.00 1.49 0.00 -0.00 0.00 0.00 177.39 179.18 2qao n ALA 79 N -3.00 1.66 -2.72 1.47 0.00 -1.26 -4.86 120.51 111.80 2qao n ALA 79 Ca 0.00 -2.90 -0.18 0.00 0.00 0.00 0.00 53.44 50.36 2qao n ALA 79 Cb 0.00 -3.48 -0.15 0.00 0.00 0.00 0.00 19.45 15.82 2qao n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qao s VAL 80 N 11.43 0.62 1.13 0.00 0.11 -1.26 -5.15 120.40 127.29 2qao s VAL 80 Ca 0.70 -0.33 -0.18 0.00 -2.93 0.00 0.00 61.98 59.23 2qao s VAL 80 Cb 0.01 -0.52 0.14 0.00 -1.53 0.00 0.00 36.38 34.47 2qao s VAL 80 CO 0.15 0.18 0.13 -1.14 -3.33 0.00 0.00 175.10 171.09 2qao n ARG 81 N 2.91 -1.89 -3.77 1.54 3.00 -1.26 -5.00 116.66 112.19 2qao n ARG 81 Ca -0.13 -0.54 -0.23 0.00 -0.00 0.00 0.00 57.85 56.95 2qao n ARG 81 Cb 0.57 -1.72 -0.02 0.00 0.00 0.00 0.00 32.46 31.29 2qao n ARG 81 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2qao s MET 82 N -3.57 3.46 -0.12 -0.14 -1.94 -1.26 -4.77 119.30 110.97 2qao s MET 82 Ca 0.56 -0.58 -0.10 0.00 -1.71 0.00 0.00 55.69 53.85 2qao s MET 82 Cb -0.12 -2.83 0.02 0.00 2.01 0.00 0.00 34.83 33.91 2qao s MET 82 CO 0.63 0.35 0.18 0.41 -0.01 0.00 0.00 175.02 176.58 2qao n GLY 83 N -1.37 0.05 1.19 -0.03 0.00 -1.26 -4.91 105.19 98.86 2qao n GLY 83 Ca -0.07 0.31 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 2qao n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qao n LYS 84 N 0.74 0.00 0.00 1.61 4.76 -1.26 -5.09 118.16 118.91 2qao n LYS 84 Ca -0.02 -1.46 0.00 0.00 -2.87 0.00 0.00 58.31 53.95 2qao n LYS 84 Cb 0.46 0.13 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 2qao n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qao n GLY 85 N 0.26 2.97 3.65 0.72 0.00 -1.26 -5.00 105.19 106.52 2qao n GLY 85 Ca -0.06 -1.44 -0.51 0.00 0.00 0.00 0.00 46.02 44.01 2qao n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qao n LYS 86 N 1.09 1.52 -0.70 1.61 4.81 -1.26 -4.90 118.16 120.33 2qao n LYS 86 Ca 0.00 0.55 -0.32 0.00 -0.87 0.00 0.00 58.31 57.67 2qao n LYS 86 Cb 0.00 -2.26 0.16 0.00 0.02 0.00 0.00 35.03 32.95 2qao n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qao n GLY 87 N 3.33 -2.25 3.85 3.14 0.00 -1.26 -4.96 105.19 107.03 2qao n GLY 87 Ca 0.20 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2qao n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qao s ASN 88 N -1.95 6.57 0.26 1.61 2.20 -1.22 -4.57 114.94 117.84 2qao s ASN 88 Ca 0.57 1.45 -0.30 0.00 -0.94 0.00 0.00 52.86 53.64 2qao s ASN 88 Cb -0.16 -2.46 -0.11 0.00 -2.00 0.00 0.00 41.25 36.52 2qao s ASN 88 CO 0.66 -0.56 1.54 -0.69 -2.94 0.00 0.00 177.10 175.11 2qao s VAL 89 N -2.60 2.33 -0.08 3.54 1.01 -1.26 -2.54 120.40 120.80 2qao s VAL 89 Ca 0.57 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.71 2qao s VAL 89 Cb -0.10 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2qao s VAL 89 CO 0.33 0.04 -0.22 1.21 0.00 0.00 0.00 175.10 176.46 2qao n GLU 90 N 2.49 0.33 0.00 2.72 4.07 -1.22 -4.92 120.64 124.12 2qao n GLU 90 Ca 0.09 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 2qao n GLU 90 Cb 0.38 -1.08 0.00 0.00 -0.06 0.00 0.00 31.44 30.68 2qao n GLU 90 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 2qao n TYR 91 N -4.08 0.00 -3.54 4.31 4.11 -1.25 -5.12 117.16 111.59 2qao n TYR 91 Ca -0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.63 2qao n TYR 91 Cb 0.35 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.56 2qao n TYR 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2qao s TRP 92 N 0.45 -0.33 0.44 -3.48 0.52 -1.24 -4.43 118.94 110.87 2qao s TRP 92 Ca 0.00 0.45 0.04 0.00 0.02 0.00 0.00 56.10 56.61 2qao s TRP 92 Cb 0.00 -0.26 0.01 0.00 -1.15 0.00 0.00 33.47 32.06 2qao s TRP 92 CO 0.00 -0.53 0.63 0.54 0.02 0.00 0.00 176.95 177.61 2qao s VAL 93 N 2.36 3.50 -0.32 4.03 0.11 0.20 -3.38 120.40 126.90 2qao s VAL 93 Ca 0.06 -0.76 0.01 0.00 -2.93 0.00 0.00 61.98 58.36 2qao s VAL 93 Cb -0.15 -3.25 0.10 0.00 -1.53 0.00 0.00 36.38 31.55 2qao s VAL 93 CO -0.11 -0.14 0.07 0.00 -3.33 0.00 0.00 175.10 171.59 2qao s ALA 94 N -2.47 2.17 -0.12 1.54 0.00 0.49 -2.51 121.76 120.87 2qao s ALA 94 Ca 0.51 -2.05 -0.29 0.00 0.00 0.00 0.00 51.96 50.13 2qao s ALA 94 Cb -0.10 -1.77 -0.06 0.00 0.00 0.00 0.00 23.12 21.19 2qao s ALA 94 CO 0.35 -1.66 2.03 -0.51 0.00 0.00 0.00 175.76 175.98 2qao s LEU 95 N 1.29 3.90 0.20 0.00 1.02 -1.26 -0.68 118.68 123.15 2qao s LEU 95 Ca 0.10 2.16 0.07 0.00 0.02 0.00 0.00 54.13 56.48 2qao s LEU 95 Cb -0.18 -3.52 -0.05 0.00 0.02 0.00 0.00 46.19 42.46 2qao s LEU 95 CO -0.17 -1.50 -0.13 0.27 0.02 0.00 0.00 176.35 174.84 2qao s ILE 96 N 6.33 1.63 0.19 -0.59 -4.36 -0.61 -4.97 121.20 118.82 2qao s ILE 96 Ca 0.91 -2.18 -0.09 0.00 -0.26 0.00 0.00 60.65 59.04 2qao s ILE 96 Cb -0.36 -2.05 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 2qao s ILE 96 CO 0.37 -0.59 0.32 0.00 0.24 0.00 0.00 174.94 175.27 2qao s GLN 97 N -3.67 1.28 -0.01 0.37 0.00 -1.26 -3.07 119.66 113.30 2qao s GLN 97 Ca 0.22 -1.27 -0.39 0.00 -0.00 0.00 0.00 55.36 53.92 2qao s GLN 97 Cb 0.00 0.39 -0.18 0.00 0.00 0.00 0.00 33.01 33.22 2qao s GLN 97 CO 0.06 -0.48 1.26 -2.30 0.00 0.00 0.00 175.29 173.83 2qao n PRO 98 N -0.27 0.59 -0.35 9.60 -0.02 -1.07 -2.11 135.00 141.36 2qao n PRO 98 Ca -0.04 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2qao n PRO 98 Cb 0.63 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 2qao n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qao n GLY 99 N 2.27 0.80 3.81 -1.23 0.00 -1.26 0.38 105.19 109.95 2qao n GLY 99 Ca 0.20 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2qao n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qao s LYS 100 N -0.71 4.04 -0.98 1.61 -0.14 -0.90 -4.14 119.74 118.51 2qao s LYS 100 Ca 0.00 0.42 -0.17 0.00 -1.36 0.00 0.00 55.97 54.85 2qao s LYS 100 Cb 0.00 -3.28 0.14 0.00 -1.68 0.00 0.00 37.83 33.02 2qao s LYS 100 CO 0.00 0.56 1.18 0.54 -0.76 0.00 0.00 175.35 176.86 2qao s VAL 101 N -0.65 4.84 0.04 3.17 0.11 -1.03 0.10 120.40 126.97 2qao s VAL 101 Ca 0.24 -1.85 -0.18 0.00 -2.93 0.00 0.00 61.98 57.27 2qao s VAL 101 Cb -0.16 -4.79 -0.09 0.00 -1.53 0.00 0.00 36.38 29.81 2qao s VAL 101 CO 0.12 -1.51 1.27 -0.07 -3.33 0.00 0.00 175.10 171.59 2qao h LEU 102 N 10.13 -0.68 -9.40 2.54 -0.00 -1.16 -3.34 115.31 113.40 2qao h LEU 102 Ca 0.19 0.05 -0.57 0.00 -0.00 0.00 0.00 57.88 57.55 2qao h LEU 102 Cb 0.99 0.22 -0.13 0.00 -0.00 0.00 0.00 40.66 41.74 2qao h LEU 102 CO 1.12 -0.34 -0.49 -0.31 -0.00 0.00 0.00 178.44 178.42 2qao s TYR 103 N -4.40 1.78 -0.20 1.13 1.51 -1.24 -2.75 117.35 113.19 2qao s TYR 103 Ca -0.09 -1.42 -0.09 0.00 -1.01 0.00 0.00 57.07 54.46 2qao s TYR 103 Cb 0.02 -1.07 0.07 0.00 -0.11 0.00 0.00 41.96 40.87 2qao s TYR 103 CO 0.29 -0.45 0.46 -1.21 -1.11 0.00 0.00 175.55 173.53 2qao s GLU 104 N -3.60 0.42 0.27 -0.62 2.02 -0.71 -2.76 118.70 113.72 2qao s GLU 104 Ca 0.25 0.95 0.12 0.00 0.02 0.00 0.00 54.97 56.31 2qao s GLU 104 Cb 0.01 0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.34 2qao s GLU 104 CO 0.17 -0.19 -0.20 -1.64 0.02 0.00 0.00 175.26 173.42 2qao s MET 105 N 1.88 1.65 0.15 1.61 -1.94 -1.26 -0.34 119.30 121.06 2qao s MET 105 Ca -0.07 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.17 2qao s MET 105 Cb -0.09 -1.76 0.00 0.00 2.01 0.00 0.00 34.83 34.99 2qao s MET 105 CO -0.14 0.33 0.00 -3.47 -0.01 0.00 0.00 175.02 171.73 2qao n ASP 106 N -0.54 -1.11 -1.89 3.03 2.03 -1.20 0.77 116.55 117.64 2qao n ASP 106 Ca -0.06 0.28 -0.02 0.00 0.52 0.00 0.00 54.79 55.51 2qao n ASP 106 Cb 0.60 1.29 -0.03 0.00 -0.72 0.00 0.00 41.12 42.26 2qao n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qao n GLY 107 N -0.74 1.79 3.53 0.27 0.00 -1.26 -4.71 105.19 104.07 2qao n GLY 107 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 2qao n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qao s VAL 108 N 1.22 0.00 0.56 1.61 0.11 -1.26 -2.21 120.40 120.43 2qao s VAL 108 Ca 0.13 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.99 2qao s VAL 108 Cb 0.06 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.83 2qao s VAL 108 CO 0.00 0.00 0.62 -2.65 -3.33 0.00 0.00 175.10 169.74 2qao n PRO 109 N 0.99 0.61 0.27 1.54 -0.02 -1.26 -4.67 135.00 132.46 2qao n PRO 109 Ca -0.18 0.24 0.15 0.00 -2.02 0.00 0.00 63.50 61.68 2qao n PRO 109 Cb 0.57 -1.79 0.77 0.00 -0.02 0.00 0.00 33.50 33.03 2qao n PRO 109 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2qao h GLU 110 N 0.36 0.00 0.00 -0.52 9.09 -1.99 -0.55 114.58 120.97 2qao h GLU 110 Ca -0.46 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 58.82 2qao h GLU 110 Cb 1.39 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.47 2qao h GLU 110 CO 0.48 0.09 -0.63 1.49 0.05 0.00 0.00 179.01 180.49 2qao h GLU 111 N 0.00 0.00 0.02 1.06 4.57 -1.99 -2.39 114.58 115.85 2qao h GLU 111 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2qao h GLU 111 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2qao h GLU 111 CO 0.01 0.63 -0.01 1.25 -1.18 0.00 0.00 179.01 179.71 2qao h LEU 112 N 0.00 -0.03 -0.92 1.64 7.12 -1.49 -2.93 115.31 118.71 2qao h LEU 112 Ca -0.01 0.00 0.26 0.00 0.13 0.00 0.00 57.88 58.27 2qao h LEU 112 Cb 1.38 0.01 -0.16 0.00 -0.53 0.00 0.00 40.66 41.36 2qao h LEU 112 CO 0.08 0.27 0.19 0.00 -0.13 0.00 0.00 178.44 178.85 2qao h ALA 113 N -1.41 1.31 0.09 1.25 0.00 -1.31 0.75 119.26 119.93 2qao h ALA 113 Ca -0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2qao h ALA 113 Cb 0.02 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2qao h ALA 113 CO 0.01 -0.54 -0.22 -0.09 0.00 0.00 0.00 179.25 178.40 2qao h ARG 114 N 0.12 -0.32 -2.77 0.00 2.43 -1.53 -0.72 114.38 111.59 2qao h ARG 114 Ca 0.59 0.02 -0.68 0.00 -0.81 0.00 0.00 59.98 59.10 2qao h ARG 114 Cb 1.24 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.82 2qao h ARG 114 CO -0.75 -0.22 2.99 -1.91 -1.51 0.00 0.00 179.97 178.58 2qao n GLU 115 N -3.67 4.04 0.00 0.20 0.00 0.18 -2.62 120.64 118.78 2qao n GLU 115 Ca -0.04 -2.75 0.00 0.00 0.00 0.00 0.00 57.16 54.37 2qao n GLU 115 Cb 0.17 -2.68 0.00 0.00 0.00 0.00 0.00 31.44 28.93 2qao n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qao n ALA 116 N 2.62 0.69 0.10 4.31 0.00 -0.71 -4.80 120.51 122.72 2qao n ALA 116 Ca 0.70 0.00 0.09 0.00 0.00 0.00 0.00 53.44 54.23 2qao n ALA 116 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.71 2qao n ALA 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2qao h PHE 117 N 0.00 0.00 -0.03 0.00 0.04 -0.93 -3.04 116.94 112.99 2qao h PHE 117 Ca 0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 2qao h PHE 117 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2qao h PHE 117 CO 0.00 0.12 -0.44 -0.22 -0.60 0.00 0.00 178.31 177.17 2qao h LYS 118 N 0.00 0.06 0.00 1.51 3.64 -1.74 0.30 116.57 120.34 2qao h LYS 118 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2qao h LYS 118 Cb 1.12 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2qao h LYS 118 CO 0.01 0.49 -0.29 1.28 -2.27 0.00 0.00 179.45 178.67 2qao n LEU 119 N -4.01 0.34 -0.06 5.20 4.77 -1.22 -3.43 117.00 118.59 2qao n LEU 119 Ca -0.02 0.25 -0.03 0.00 -0.03 0.00 0.00 56.01 56.19 2qao n LEU 119 Cb 0.47 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2qao n LEU 119 CO 0.40 0.04 -0.21 0.00 -1.33 0.00 0.00 177.39 176.29 2qao h ALA 120 N 2.93 0.00 0.00 -1.18 0.00 -0.98 -3.34 119.26 116.69 2qao h ALA 120 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2qao h ALA 120 Cb 0.54 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2qao h ALA 120 CO 0.00 0.31 0.36 0.00 0.00 0.00 0.00 179.25 179.92 2qao h ALA 121 N -1.10 1.30 -0.36 0.00 0.00 -0.62 -0.25 119.26 118.23 2qao h ALA 121 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2qao h ALA 121 Cb 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 2qao h ALA 121 CO 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 179.25 178.69 2qao h ALA 122 N 1.14 -0.08 -2.46 0.00 0.00 -1.67 -2.88 119.26 113.31 2qao h ALA 122 Ca 0.00 0.11 -0.79 0.00 0.00 0.00 0.00 54.91 54.23 2qao h ALA 122 Cb 0.73 0.58 -0.26 0.00 0.00 0.00 0.00 17.79 18.84 2qao h ALA 122 CO 0.00 -0.66 0.55 -1.59 0.00 0.00 0.00 179.25 177.55 2qao s LYS 123 N -6.07 4.15 -0.28 0.00 0.00 -0.10 -4.95 119.74 112.49 2qao s LYS 123 Ca -0.15 -3.08 -0.19 0.00 0.00 0.00 0.00 55.97 52.56 2qao s LYS 123 Cb 0.14 -4.62 0.10 0.00 0.00 0.00 0.00 37.83 33.44 2qao s LYS 123 CO 0.69 -1.32 0.81 -0.51 0.00 0.00 0.00 175.35 175.01 2qao s LEU 124 N -0.76 -0.74 0.25 2.77 1.43 -1.09 -4.61 118.68 115.92 2qao s LEU 124 Ca 0.32 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 2qao s LEU 124 Cb -0.09 2.18 0.29 0.00 0.03 0.00 0.00 46.19 48.60 2qao s LEU 124 CO -0.07 -0.20 1.64 -0.65 0.23 0.00 0.00 176.35 177.30 2qao h PRO 125 N 6.08 0.52 -6.36 1.29 0.11 -1.92 -3.44 132.00 128.28 2qao h PRO 125 Ca -0.29 -0.24 -0.55 0.00 0.11 0.00 0.00 66.00 65.03 2qao h PRO 125 Cb 1.20 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2qao h PRO 125 CO 0.14 0.80 -0.04 0.42 -0.21 0.00 0.00 178.00 179.11 2qao s ILE 126 N -4.32 4.79 -0.67 4.15 1.09 -1.26 -5.03 121.20 119.95 2qao s ILE 126 Ca -0.07 0.95 -0.25 0.00 -1.10 0.00 0.00 60.65 60.18 2qao s ILE 126 Cb 0.13 -3.77 0.05 0.00 -1.06 0.00 0.00 42.46 37.80 2qao s ILE 126 CO 0.81 0.27 1.11 -0.54 -0.10 0.00 0.00 174.94 176.49 2qao s LYS 127 N -1.87 3.21 0.44 2.79 1.02 -1.26 -5.01 119.74 119.05 2qao s LYS 127 Ca 0.38 -0.41 -0.02 0.00 0.02 0.00 0.00 55.97 55.94 2qao s LYS 127 Cb -0.16 -4.16 -0.02 0.00 -0.52 0.00 0.00 37.83 32.96 2qao s LYS 127 CO 0.19 -1.90 0.69 0.95 -0.92 0.00 0.00 175.35 174.37 2qao s THR 128 N 4.82 4.67 0.36 2.17 -4.23 -1.24 -4.01 115.64 118.18 2qao s THR 128 Ca 0.30 -0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.65 2qao s THR 128 Cb -0.12 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 69.93 2qao s THR 128 CO 0.15 -0.60 0.08 0.28 -0.54 0.00 0.00 174.62 173.99 2qao s THR 129 N -2.57 0.93 -0.00 3.99 -1.32 -1.07 -4.89 115.64 110.71 2qao s THR 129 Ca 0.46 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.91 2qao s THR 129 Cb -0.10 -2.59 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 2qao s THR 129 CO 0.40 0.00 0.18 0.12 -2.21 0.00 0.00 174.62 173.11 2qao s PHE 130 N -3.27 3.53 0.17 9.09 5.36 -1.26 -0.98 117.98 130.62 2qao s PHE 130 Ca 0.30 0.34 -0.03 0.00 -0.96 0.00 0.00 56.93 56.58 2qao s PHE 130 Cb 0.06 -1.82 -0.03 0.00 -0.34 0.00 0.00 43.02 40.89 2qao s PHE 130 CO 0.14 0.64 0.15 0.08 -1.46 0.00 0.00 175.22 174.77 2qao s VAL 131 N -1.33 0.05 0.40 3.12 1.01 -1.18 -4.92 120.40 117.55 2qao s VAL 131 Ca 0.28 -1.82 0.07 0.00 0.00 0.00 0.00 61.98 60.51 2qao s VAL 131 Cb -0.13 -2.18 -0.08 0.00 0.00 0.00 0.00 36.38 34.00 2qao s VAL 131 CO 0.19 -0.24 0.00 0.42 0.00 0.00 0.00 175.10 175.47 2qao s THR 132 N -4.07 1.98 0.08 3.92 -4.23 -1.26 -3.84 115.64 108.22 2qao s THR 132 Ca 0.28 -2.02 -0.33 0.00 -1.18 0.00 0.00 61.69 58.44 2qao s THR 132 Cb 0.06 -2.96 -0.16 0.00 1.34 0.00 0.00 72.50 70.78 2qao s THR 132 CO 0.06 -0.02 1.60 0.50 -0.54 0.00 0.00 174.62 176.21 2qao h LYS 133 N 1.81 -0.88 -3.78 3.99 3.64 -1.72 -3.42 116.57 116.21 2qao h LYS 133 Ca -0.44 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2qao h LYS 133 Cb 1.24 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 2qao h LYS 133 CO 0.80 -0.59 -0.91 2.41 -2.27 0.00 0.00 179.45 178.89 2qao n THR 134 N -5.52 -5.40 -0.30 1.00 -1.04 -1.26 -4.48 114.28 97.27 2qao n THR 134 Ca -0.12 2.45 0.17 0.00 -2.04 0.00 0.00 64.05 64.51 2qao n THR 134 Cb 0.41 -3.32 0.42 0.00 -1.82 0.00 0.00 70.33 66.03 2qao n THR 134 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2qao h VAL 135 N 2.19 0.68 0.00 12.58 2.07 -1.99 -3.49 116.25 128.30 2qao h VAL 135 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2qao h VAL 135 Cb 0.00 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 2qao h VAL 135 CO 0.00 0.11 0.00 0.23 0.02 0.00 0.00 177.57 177.93