#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqe s THR 2 N 0.00 2.11 0.45 0.00 -4.23 -1.26 -5.07 115.64 107.65 2pqe s THR 2 Ca 0.00 -2.57 0.00 0.00 -1.18 0.00 0.00 61.69 57.94 2pqe s THR 2 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2pqe s THR 2 CO 0.00 -0.71 0.00 -1.20 -0.54 0.00 0.00 174.62 172.17 2pqe n SER 3 N 3.88 -8.71 -4.93 3.99 7.64 -1.26 -4.88 113.62 109.36 2pqe n SER 3 Ca 0.04 0.92 -0.25 0.00 1.01 0.00 0.00 58.87 60.58 2pqe n SER 3 Cb 0.38 -4.62 -0.01 0.00 -1.01 0.00 0.00 64.21 58.95 2pqe n SER 3 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2pqe s THR 4 N -3.00 5.02 0.00 0.44 2.01 -1.26 -5.10 115.64 113.75 2pqe s THR 4 Ca 0.00 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.83 2pqe s THR 4 Cb 0.00 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.65 2pqe s THR 4 CO 0.00 -0.67 0.00 1.17 -0.69 0.00 0.00 174.62 174.43 2pqe n LYS 5 N -1.94 -0.36 -1.41 4.92 4.81 -1.26 -4.93 118.16 117.99 2pqe n LYS 5 Ca -0.02 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.11 2pqe n LYS 5 Cb 0.56 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.63 2pqe n LYS 5 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2pqe n LYS 6 N -1.14 2.43 -3.64 1.64 2.85 -1.26 -4.84 118.16 114.20 2pqe n LYS 6 Ca 0.00 -2.72 -0.06 0.00 -1.05 0.00 0.00 58.31 54.47 2pqe n LYS 6 Cb 0.00 -2.09 -0.07 0.00 -0.65 0.00 0.00 35.03 32.22 2pqe n LYS 6 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2pqe s LEU 7 N -3.04 -0.92 0.65 -5.58 2.96 -1.26 -5.17 118.68 106.31 2pqe s LEU 7 Ca 0.53 1.46 -0.08 0.00 -0.22 0.00 0.00 54.13 55.82 2pqe s LEU 7 Cb 0.40 2.33 0.02 0.00 0.50 0.00 0.00 46.19 49.44 2pqe s LEU 7 CO -0.16 -0.23 0.99 -1.38 -1.32 0.00 0.00 176.35 174.25 2pqe s HIS 8 N 1.70 3.23 0.46 5.38 -3.43 -1.26 -5.08 115.29 116.29 2pqe s HIS 8 Ca -0.10 0.75 -0.07 0.00 -0.80 0.00 0.00 55.06 54.85 2pqe s HIS 8 Cb -0.05 -2.92 -0.04 0.00 -1.43 0.00 0.00 32.58 28.13 2pqe s HIS 8 CO -0.20 -1.04 0.79 0.15 -2.00 0.00 0.00 174.74 172.45 2pqe s LYS 9 N -5.16 3.61 0.00 -0.38 1.02 -1.26 -4.74 119.74 112.83 2pqe s LYS 9 Ca 0.56 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.84 2pqe s LYS 9 Cb -0.11 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2pqe s LYS 9 CO 0.47 -0.17 0.00 -1.91 -0.92 0.00 0.00 175.35 172.83 2pqe n GLU 10 N -2.00 1.37 0.00 1.68 4.07 0.35 -4.84 120.64 121.27 2pqe n GLU 10 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 2pqe n GLU 10 Cb 0.55 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.93 2pqe n GLU 10 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2pqe n ALA 11 N -3.00 0.00 0.00 4.31 0.00 -1.26 -2.03 120.51 118.53 2pqe n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pqe n ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2pqe n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pqe n ALA 12 N 6.62 0.00 -3.13 0.00 0.00 -0.50 -4.49 120.51 119.01 2pqe n ALA 12 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2pqe n ALA 12 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2pqe n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pqe s THR 13 N 0.00 0.04 -0.23 0.00 2.01 -1.07 -3.32 115.64 113.07 2pqe s THR 13 Ca 0.00 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 2pqe s THR 13 Cb 0.00 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 2pqe s THR 13 CO 0.00 -0.20 0.24 -0.22 -0.69 0.00 0.00 174.62 173.75 2pqe s LEU 14 N -0.74 4.12 -0.10 4.42 1.98 -1.26 0.19 118.68 127.28 2pqe s LEU 14 Ca -0.08 0.23 -0.04 0.00 -2.89 0.00 0.00 54.13 51.34 2pqe s LEU 14 Cb -0.05 -2.24 -0.04 0.00 0.66 0.00 0.00 46.19 44.53 2pqe s LEU 14 CO 0.01 0.01 0.12 0.40 -1.89 0.00 0.00 176.35 175.00 2pqe h ILE 15 N 5.06 0.24 -1.67 6.68 5.03 -1.08 -3.46 117.51 128.31 2pqe h ILE 15 Ca -0.37 -1.18 0.05 0.00 -0.12 0.00 0.00 64.86 63.24 2pqe h ILE 15 Cb 1.17 0.46 -0.25 0.00 -3.03 0.00 0.00 36.82 35.17 2pqe h ILE 15 CO 0.67 0.08 0.39 -0.75 -0.68 0.00 0.00 178.15 177.85 2pqe s LYS 16 N -1.67 0.55 0.49 2.37 2.47 -1.04 -5.02 119.74 117.89 2pqe s LYS 16 Ca -0.03 0.69 -0.18 0.00 -1.56 0.00 0.00 55.97 54.89 2pqe s LYS 16 Cb -0.00 0.26 -0.09 0.00 -1.46 0.00 0.00 37.83 36.54 2pqe s LYS 16 CO 0.10 -0.07 0.97 0.00 0.16 0.00 0.00 175.35 176.50 2pqe s ALA 17 N 0.37 3.07 -0.13 3.13 0.00 -1.26 0.03 121.76 126.98 2pqe s ALA 17 Ca 0.01 0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.12 2pqe s ALA 17 Cb -0.05 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 2pqe s ALA 17 CO -0.06 -0.12 -0.20 -0.89 0.00 0.00 0.00 175.76 174.49 2pqe n ILE 18 N -1.30 1.00 -2.86 0.00 5.41 0.43 -4.83 119.36 117.21 2pqe n ILE 18 Ca 0.07 -0.08 -0.12 0.00 1.00 0.00 0.00 62.75 63.62 2pqe n ILE 18 Cb 0.54 -1.79 0.04 0.00 -0.71 0.00 0.00 39.64 37.71 2pqe n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2pqe n ASP 19 N -3.79 -0.06 0.00 4.38 -0.08 0.02 -4.97 116.55 112.06 2pqe n ASP 19 Ca -0.24 -2.96 0.00 0.00 -1.51 0.00 0.00 54.79 50.08 2pqe n ASP 19 Cb 0.59 0.17 0.00 0.00 2.34 0.00 0.00 41.12 44.23 2pqe n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pqe n GLY 20 N 0.04 0.62 0.07 0.27 0.00 -1.23 -3.46 105.19 101.50 2pqe n GLY 20 Ca 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 2pqe n GLY 20 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2pqe h ASP 21 N 0.00 0.03 -3.42 1.61 3.04 -1.90 -3.43 116.42 112.35 2pqe h ASP 21 Ca 0.00 -0.03 -0.72 0.00 -3.24 0.00 0.00 57.03 53.04 2pqe h ASP 21 Cb 0.00 -0.01 -0.21 0.00 -1.04 0.00 0.00 39.33 38.07 2pqe h ASP 21 CO 0.00 1.03 -0.30 -0.89 -2.04 0.00 0.00 179.24 177.04 2pqe s THR 22 N -2.67 5.17 0.02 1.15 2.01 -1.22 -0.65 115.64 119.45 2pqe s THR 22 Ca -0.01 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.30 2pqe s THR 22 Cb 0.09 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 2pqe s THR 22 CO 0.82 -0.48 -0.07 0.68 -0.69 0.00 0.00 174.62 174.89 2pqe s VAL 23 N 1.87 0.49 -0.54 3.82 -7.23 -0.50 0.16 120.40 118.46 2pqe s VAL 23 Ca 0.07 -0.74 -0.25 0.00 -1.81 0.00 0.00 61.98 59.25 2pqe s VAL 23 Cb -0.20 -0.51 0.04 0.00 0.56 0.00 0.00 36.38 36.27 2pqe s VAL 23 CO 0.10 -0.19 0.98 -0.54 -0.31 0.00 0.00 175.10 175.14 2pqe s LYS 24 N -1.01 3.40 -0.10 4.82 1.02 0.11 0.92 119.74 128.89 2pqe s LYS 24 Ca -0.05 -0.09 -0.02 0.00 0.02 0.00 0.00 55.97 55.83 2pqe s LYS 24 Cb -0.07 -4.02 -0.03 0.00 -0.52 0.00 0.00 37.83 33.19 2pqe s LYS 24 CO 0.00 -1.47 -0.02 -1.17 -0.92 0.00 0.00 175.35 171.78 2pqe s LEU 25 N 4.08 3.45 -0.61 3.17 0.20 0.14 -0.42 118.68 128.70 2pqe s LEU 25 Ca 0.34 0.06 -0.25 0.00 0.69 0.00 0.00 54.13 54.97 2pqe s LEU 25 Cb -0.11 -1.79 0.04 0.00 -0.43 0.00 0.00 46.19 43.90 2pqe s LEU 25 CO 0.22 0.33 1.04 -0.32 -0.29 0.00 0.00 176.35 177.33 2pqe s MET 26 N -0.58 3.30 -0.20 1.98 1.75 0.51 0.06 119.30 126.11 2pqe s MET 26 Ca 0.09 -0.29 -0.10 0.00 -1.25 0.00 0.00 55.69 54.15 2pqe s MET 26 Cb -0.12 -4.10 -0.05 0.00 2.84 0.00 0.00 34.83 33.40 2pqe s MET 26 CO 0.02 -1.69 0.12 -0.47 -0.65 0.00 0.00 175.02 172.35 2pqe s TYR 27 N 4.42 3.36 -0.35 4.11 6.14 0.30 -2.60 117.35 132.73 2pqe s TYR 27 Ca 0.32 0.25 0.00 0.00 0.64 0.00 0.00 57.07 58.27 2pqe s TYR 27 Cb -0.12 -2.16 0.00 0.00 0.42 0.00 0.00 41.96 40.10 2pqe s TYR 27 CO 0.18 0.21 0.00 0.36 0.64 0.00 0.00 175.55 176.94 2pqe n LYS 28 N 3.68 -2.55 -0.30 4.97 -0.00 -1.26 0.12 118.16 122.83 2pqe n LYS 28 Ca -0.16 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2pqe n LYS 28 Cb 0.52 -4.67 0.00 0.00 -0.00 0.00 0.00 35.03 30.88 2pqe n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pqe n GLY 29 N -0.53 0.82 2.84 2.58 0.00 -1.26 -5.08 105.19 104.56 2pqe n GLY 29 Ca -0.05 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 2pqe n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pqe s GLN 30 N -0.61 0.97 -0.80 1.61 -2.07 0.34 -5.08 119.66 114.02 2pqe s GLN 30 Ca 0.00 -0.06 -0.26 0.00 -1.82 0.00 0.00 55.36 53.23 2pqe s GLN 30 Cb 0.00 -1.16 0.00 0.00 -1.09 0.00 0.00 33.01 30.77 2pqe s GLN 30 CO 0.00 -0.24 1.61 0.00 -1.32 0.00 0.00 175.29 175.34 2pqe s ALA 31 N 1.67 2.36 0.14 2.60 0.00 -1.26 0.11 121.76 127.38 2pqe s ALA 31 Ca 0.02 -1.39 0.06 0.00 0.00 0.00 0.00 51.96 50.64 2pqe s ALA 31 Cb -0.13 -4.39 -0.04 0.00 0.00 0.00 0.00 23.12 18.56 2pqe s ALA 31 CO -0.05 -3.83 0.04 0.00 0.00 0.00 0.00 175.76 171.92 2pqe s MET 32 N 6.19 2.62 -0.39 0.00 0.00 0.11 -4.86 119.30 122.98 2pqe s MET 32 Ca 0.53 -0.93 -0.28 0.00 0.00 0.00 0.00 55.69 55.01 2pqe s MET 32 Cb -0.07 -2.52 0.02 0.00 0.00 0.00 0.00 34.83 32.26 2pqe s MET 32 CO 0.08 0.50 1.07 0.99 0.00 0.00 0.00 175.02 177.66 2pqe s THR 33 N -1.58 4.41 0.27 3.16 2.01 -1.26 0.24 115.64 122.89 2pqe s THR 33 Ca 0.28 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.71 2pqe s THR 33 Cb -0.10 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2pqe s THR 33 CO 0.20 -0.69 0.46 -0.36 -0.69 0.00 0.00 174.62 173.53 2pqe s PHE 34 N 3.92 3.48 -0.04 4.92 0.40 0.26 0.96 117.98 131.88 2pqe s PHE 34 Ca 0.45 0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 57.09 2pqe s PHE 34 Cb -0.10 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.60 2pqe s PHE 34 CO 0.22 0.28 0.04 1.03 0.70 0.00 0.00 175.22 177.49 2pqe s ARG 35 N -3.77 0.07 -0.21 0.44 1.81 -0.88 -1.42 118.95 115.00 2pqe s ARG 35 Ca 0.39 0.30 -0.29 0.00 -1.72 0.00 0.00 55.73 54.41 2pqe s ARG 35 Cb -0.10 -0.58 -0.06 0.00 -0.45 0.00 0.00 34.95 33.76 2pqe s ARG 35 CO 0.31 -0.30 2.20 -0.11 -0.68 0.00 0.00 175.30 176.72 2pqe n LEU 36 N 5.12 3.23 -4.75 2.53 0.00 0.17 -0.52 117.00 122.79 2pqe n LEU 36 Ca -0.07 0.29 -0.41 0.00 0.00 0.00 0.00 56.01 55.82 2pqe n LEU 36 Cb 0.50 -1.53 -0.03 0.00 0.00 0.00 0.00 43.42 42.36 2pqe n LEU 36 CO 0.09 -0.61 0.89 -0.76 0.00 0.00 0.00 177.39 176.99 2pqe s LEU 37 N 7.87 4.47 -1.80 -1.96 1.43 -0.72 -2.99 118.68 124.98 2pqe s LEU 37 Ca 1.01 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 56.47 2pqe s LEU 37 Cb -0.40 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.20 2pqe s LEU 37 CO 0.37 -0.35 0.00 0.18 0.23 0.00 0.00 176.35 176.78 2pqe n LEU 38 N 1.74 -1.56 -3.90 1.79 4.77 -1.26 -4.76 117.00 113.82 2pqe n LEU 38 Ca 0.02 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.14 2pqe n LEU 38 Cb 0.44 -2.69 -0.11 0.00 -2.33 0.00 0.00 43.42 38.73 2pqe n LEU 38 CO 0.56 -0.59 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.07 2pqe s VAL 39 N -2.76 0.06 -0.22 4.08 1.01 -1.16 -2.12 120.40 119.29 2pqe s VAL 39 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 2pqe s VAL 39 Cb 0.00 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 36.18 2pqe s VAL 39 CO 0.00 -0.29 0.01 -0.62 0.00 0.00 0.00 175.10 174.21 2pqe s ASP 40 N -0.92 3.33 -0.75 3.32 -1.08 -0.62 -4.56 116.67 115.40 2pqe s ASP 40 Ca -0.10 -1.03 0.03 0.00 -0.52 0.00 0.00 52.55 50.93 2pqe s ASP 40 Cb -0.06 -0.81 0.32 0.00 -1.46 0.00 0.00 42.92 40.91 2pqe s ASP 40 CO 0.00 -0.30 1.20 0.41 0.52 0.00 0.00 175.17 177.01 2pqe n THR 41 N 4.91 3.99 0.00 1.71 -1.04 -1.26 -1.37 114.28 121.21 2pqe n THR 41 Ca -0.09 -5.67 0.00 0.00 -2.04 0.00 0.00 64.05 56.25 2pqe n THR 41 Cb 0.46 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 2pqe n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pqe n ALA 42 N 0.09 0.00 -2.50 2.41 0.00 -1.26 -3.55 120.51 115.70 2pqe n ALA 42 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 2pqe n ALA 42 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 2pqe n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2pqe n GLU 43 N -1.73 -2.25 -2.74 0.00 4.07 -1.26 -3.50 120.64 113.23 2pqe n GLU 43 Ca 0.00 0.71 -0.43 0.00 -0.06 0.00 0.00 57.16 57.38 2pqe n GLU 43 Cb 0.00 -5.34 -0.01 0.00 -0.06 0.00 0.00 31.44 26.03 2pqe n GLU 43 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2pqe s THR 44 N -2.76 4.48 0.00 6.31 -4.23 -1.26 -4.49 115.64 113.69 2pqe s THR 44 Ca 0.03 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 2pqe s THR 44 Cb -0.01 -5.04 0.11 0.00 1.34 0.00 0.00 72.50 68.90 2pqe s THR 44 CO 0.04 -1.82 0.99 2.29 -0.54 0.00 0.00 174.62 175.57 2pqe n LYS 45 N 7.30 0.00 0.00 3.99 2.85 -1.26 -4.86 118.16 126.18 2pqe n LYS 45 Ca 0.40 -1.15 0.00 0.00 -1.05 0.00 0.00 58.31 56.51 2pqe n LYS 45 Cb 0.46 -0.27 0.00 0.00 -0.65 0.00 0.00 35.03 34.56 2pqe n LYS 45 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2pqe n HIS 46 N 0.13 0.00 -2.47 5.58 -0.00 -1.26 -5.08 115.22 112.12 2pqe n HIS 46 Ca 0.00 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 2pqe n HIS 46 Cb 0.80 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.67 2pqe n HIS 46 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 2pqe n THR 47 N -2.04 -6.56 0.00 3.57 -1.04 -1.26 -5.01 114.28 101.94 2pqe n THR 47 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 2pqe n THR 47 Cb 0.48 -5.56 0.00 0.00 -1.82 0.00 0.00 70.33 63.43 2pqe n THR 47 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2pqe n LYS 48 N -1.60 0.00 0.00 -2.82 5.02 -1.26 -5.04 118.16 112.46 2pqe n LYS 48 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2pqe n LYS 48 Cb 0.51 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.70 2pqe n LYS 48 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2pqe n LYS 49 N -2.61 0.00 0.00 1.97 -0.00 -1.26 -5.02 118.16 111.25 2pqe n LYS 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2pqe n LYS 49 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.50 2pqe n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pqe n GLY 50 N -0.40 1.88 1.46 2.58 0.00 -1.26 -5.03 105.19 104.41 2pqe n GLY 50 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2pqe n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pqe n VAL 51 N 0.00 0.09 0.22 1.61 0.31 -1.26 -2.71 118.33 116.58 2pqe n VAL 51 Ca 0.00 -0.64 0.07 0.00 -0.01 0.00 0.00 64.34 63.76 2pqe n VAL 51 Cb 0.00 0.78 0.24 0.00 -0.91 0.00 0.00 33.84 33.94 2pqe n VAL 51 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2pqe n GLU 52 N -0.01 2.56 -1.22 5.55 0.00 -1.26 -4.31 120.64 121.94 2pqe n GLU 52 Ca -0.13 -1.90 -0.01 0.00 0.00 0.00 0.00 57.16 55.13 2pqe n GLU 52 Cb 0.88 -1.56 0.01 0.00 0.00 0.00 0.00 31.44 30.77 2pqe n GLU 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2pqe n LYS 53 N 0.83 0.11 -1.69 3.44 3.00 -1.26 -4.95 118.16 117.64 2pqe n LYS 53 Ca 0.17 -0.15 -0.20 0.00 -0.00 0.00 0.00 58.31 58.13 2pqe n LYS 53 Cb 0.55 0.23 -0.08 0.00 0.00 0.00 0.00 35.03 35.73 2pqe n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2pqe n TYR 54 N -0.12 -0.15 -0.20 5.64 4.01 -1.26 -4.78 117.16 120.29 2pqe n TYR 54 Ca -0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.69 2pqe n TYR 54 Cb 0.46 -3.48 0.09 0.00 -0.31 0.00 0.00 39.34 36.09 2pqe n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2pqe h GLY 55 N 0.00 0.85 0.97 2.72 0.00 -1.77 0.22 103.07 106.07 2pqe h GLY 55 Ca -0.42 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 2pqe h GLY 55 CO 0.61 0.09 -0.48 0.00 0.00 0.00 0.00 176.54 176.75 2pqe h ALA 56 N 1.34 -1.35 0.00 3.60 0.00 -1.77 -2.46 119.26 118.62 2pqe h ALA 56 Ca 0.27 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pqe h ALA 56 Cb 0.23 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2pqe h ALA 56 CO -0.21 -1.26 -0.00 1.49 0.00 0.00 0.00 179.25 179.27 2pqe h GLU 57 N -1.33 0.00 -0.63 0.00 4.57 -1.84 -2.00 114.58 113.35 2pqe h GLU 57 Ca -0.13 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2pqe h GLU 57 Cb 1.02 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.58 2pqe h GLU 57 CO 0.21 0.00 0.39 0.00 -1.18 0.00 0.00 179.01 178.43 2pqe h ALA 58 N 2.00 0.80 -0.27 2.92 0.00 -0.08 0.11 119.26 124.74 2pqe h ALA 58 Ca -0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2pqe h ALA 58 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2pqe h ALA 58 CO 0.00 0.27 -0.44 0.66 0.00 0.00 0.00 179.25 179.74 2pqe h SER 59 N 0.86 0.75 -0.20 0.00 4.64 -1.20 -2.72 113.55 115.67 2pqe h SER 59 Ca 0.23 -0.36 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 2pqe h SER 59 Cb -0.05 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 2pqe h SER 59 CO -0.04 1.08 0.05 0.00 -0.87 0.00 0.00 176.83 177.05 2pqe h ALA 60 N 0.95 0.27 -0.36 5.18 0.00 -1.33 0.91 119.26 124.87 2pqe h ALA 60 Ca 0.04 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2pqe h ALA 60 Cb 0.99 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2pqe h ALA 60 CO 0.09 -0.09 0.17 0.35 0.00 0.00 0.00 179.25 179.77 2pqe h PHE 61 N 0.15 0.31 -0.08 0.00 3.04 -0.98 0.39 116.94 119.76 2pqe h PHE 61 Ca 0.06 0.02 -0.22 0.00 3.98 0.00 0.00 57.97 61.81 2pqe h PHE 61 Cb 0.26 -0.09 0.01 0.00 2.56 0.00 0.00 35.95 38.69 2pqe h PHE 61 CO 0.01 0.16 -0.85 1.15 -2.02 0.00 0.00 178.31 176.76 2pqe h THR 62 N 0.35 1.32 -0.56 4.41 2.02 -1.40 -2.05 112.91 117.01 2pqe h THR 62 Ca 0.15 -2.15 -0.09 0.00 0.77 0.00 0.00 66.41 65.10 2pqe h THR 62 Cb 0.08 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 2pqe h THR 62 CO -0.12 0.66 0.00 0.50 0.37 0.00 0.00 175.52 176.94 2pqe h LYS 63 N 0.39 0.98 -0.04 6.66 3.64 0.12 0.18 116.57 128.51 2pqe h LYS 63 Ca -0.07 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 58.94 2pqe h LYS 63 Cb 1.47 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2pqe h LYS 63 CO 0.16 0.98 -0.23 0.87 -2.27 0.00 0.00 179.45 178.96 2pqe h LYS 64 N 0.86 0.22 -0.02 1.90 1.79 -0.29 -1.32 116.57 119.72 2pqe h LYS 64 Ca 0.16 -0.19 -0.08 0.00 -2.18 0.00 0.00 60.65 58.36 2pqe h LYS 64 Cb 0.54 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2pqe h LYS 64 CO 0.03 0.85 -0.34 1.98 -1.08 0.00 0.00 179.45 180.89 2pqe h MET 65 N -0.35 0.04 0.20 3.15 4.05 -1.38 0.41 114.93 121.05 2pqe h MET 65 Ca -0.02 -0.01 -0.32 0.00 -0.28 0.00 0.00 59.70 59.07 2pqe h MET 65 Cb 0.90 -0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.72 2pqe h MET 65 CO 0.05 0.38 -1.44 -0.24 0.23 0.00 0.00 176.91 175.89 2pqe h VAL 66 N 0.03 1.31 0.05 -5.77 3.04 -0.67 -1.62 116.25 112.63 2pqe h VAL 66 Ca 0.00 -2.81 -0.24 0.00 -1.01 0.00 0.00 66.70 62.64 2pqe h VAL 66 Cb 0.63 2.97 -0.02 0.00 -2.01 0.00 0.00 31.29 32.86 2pqe h VAL 66 CO 0.05 0.84 -1.17 1.05 -1.01 0.00 0.00 177.57 177.33 2pqe h GLU 67 N 0.11 0.10 0.00 4.17 -0.00 -1.13 -3.29 114.58 114.54 2pqe h GLU 67 Ca -0.23 -0.17 -0.13 0.00 -0.00 0.00 0.00 59.36 58.83 2pqe h GLU 67 Cb 2.09 0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 30.89 2pqe h GLU 67 CO 0.24 1.04 -0.73 -0.97 -0.00 0.00 0.00 179.01 178.58 2pqe h ASN 68 N 0.03 0.00 -1.00 3.06 -1.24 -0.29 -3.30 115.58 112.83 2pqe h ASN 68 Ca -0.09 0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.01 2pqe h ASN 68 Cb 1.87 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.84 2pqe h ASN 68 CO 0.15 0.58 0.64 0.00 -1.29 0.00 0.00 177.43 177.51 2pqe h ALA 69 N 1.42 1.43 0.00 1.57 0.00 -1.35 -3.46 119.26 118.87 2pqe h ALA 69 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pqe h ALA 69 Cb 1.48 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2pqe h ALA 69 CO 0.07 0.34 0.00 1.63 0.00 0.00 0.00 179.25 181.29 2pqe n LYS 70 N -4.56 0.00 -3.92 0.00 5.02 -1.25 -4.57 118.16 108.88 2pqe n LYS 70 Ca 0.17 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.18 2pqe n LYS 70 Cb 0.26 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.10 2pqe n LYS 70 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2pqe s LYS 71 N 0.00 1.65 -0.14 1.97 2.36 -1.26 -4.87 119.74 119.44 2pqe s LYS 71 Ca 0.00 -0.31 0.02 0.00 -2.55 0.00 0.00 55.97 53.13 2pqe s LYS 71 Cb 0.00 -1.68 0.02 0.00 -1.05 0.00 0.00 37.83 35.11 2pqe s LYS 71 CO 0.00 -0.27 -0.19 0.42 1.55 0.00 0.00 175.35 176.87 2pqe s ILE 72 N 1.67 1.84 0.23 5.43 1.09 -1.21 0.68 121.20 130.93 2pqe s ILE 72 Ca 0.05 -0.83 0.11 0.00 -1.10 0.00 0.00 60.65 58.88 2pqe s ILE 72 Cb -0.13 -1.66 -0.05 0.00 -1.06 0.00 0.00 42.46 39.57 2pqe s ILE 72 CO -0.09 0.51 -0.18 -1.61 -0.10 0.00 0.00 174.94 173.47 2pqe s GLU 73 N 1.07 1.75 0.01 2.79 2.02 0.22 -1.41 118.70 125.15 2pqe s GLU 73 Ca -0.02 -1.56 -0.02 0.00 0.02 0.00 0.00 54.97 53.39 2pqe s GLU 73 Cb -0.14 -1.90 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 2pqe s GLU 73 CO -0.06 0.38 0.01 0.14 0.02 0.00 0.00 175.26 175.75 2pqe s VAL 74 N -2.05 0.08 -0.16 2.63 -7.23 -0.86 0.11 120.40 112.92 2pqe s VAL 74 Ca 0.26 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 2pqe s VAL 74 Cb -0.07 -0.25 0.03 0.00 0.56 0.00 0.00 36.38 36.65 2pqe s VAL 74 CO 0.14 -0.38 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.74 2pqe s GLU 75 N -1.16 1.97 0.26 4.82 2.12 -0.95 0.13 118.70 125.89 2pqe s GLU 75 Ca -0.13 -0.58 -0.17 0.00 0.36 0.00 0.00 54.97 54.46 2pqe s GLU 75 Cb -0.08 -2.09 -0.08 0.00 0.26 0.00 0.00 34.13 32.14 2pqe s GLU 75 CO -0.00 -0.32 0.71 -0.06 -0.54 0.00 0.00 175.26 175.04 2pqe s PHE 76 N 1.52 3.52 0.53 5.30 0.40 -1.26 -2.47 117.98 125.52 2pqe s PHE 76 Ca 0.03 1.27 0.07 0.00 -0.60 0.00 0.00 56.93 57.70 2pqe s PHE 76 Cb -0.14 -2.55 0.07 0.00 0.51 0.00 0.00 43.02 40.91 2pqe s PHE 76 CO -0.09 0.24 0.61 -3.47 0.70 0.00 0.00 175.22 173.21 2pqe n ASP 77 N 0.24 2.20 0.17 1.36 -0.08 -1.26 -5.02 116.55 114.16 2pqe n ASP 77 Ca 0.00 -2.54 0.12 0.00 -1.51 0.00 0.00 54.79 50.86 2pqe n ASP 77 Cb 0.52 -0.27 0.25 0.00 2.34 0.00 0.00 41.12 43.96 2pqe n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2pqe h LYS 78 N 0.00 0.00 0.00 -0.67 6.56 -1.99 -3.44 116.57 117.03 2pqe h LYS 78 Ca -0.28 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 2pqe h LYS 78 Cb 1.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 2pqe h LYS 78 CO 0.41 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.21 2pqe n GLY 79 N 1.18 -2.72 3.86 3.86 0.00 -1.26 -4.82 105.19 105.29 2pqe n GLY 79 Ca 0.04 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 2pqe n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pqe s GLN 80 N 0.00 3.64 -0.08 1.61 2.00 -1.26 -4.79 119.66 120.77 2pqe s GLN 80 Ca 0.00 0.09 0.20 0.00 -2.00 0.00 0.00 55.36 53.65 2pqe s GLN 80 Cb 0.00 -3.20 -0.28 0.00 0.80 0.00 0.00 33.01 30.34 2pqe s GLN 80 CO 0.00 0.74 0.36 -2.13 -0.50 0.00 0.00 175.29 173.76 2pqe n ARG 81 N 1.87 0.67 -3.57 1.67 0.63 -1.26 -4.71 116.66 111.95 2pqe n ARG 81 Ca -0.17 -0.07 -0.19 0.00 -0.92 0.00 0.00 57.85 56.49 2pqe n ARG 81 Cb 0.54 -1.56 -0.15 0.00 0.45 0.00 0.00 32.46 31.75 2pqe n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2pqe s THR 82 N -3.04 -0.26 -0.77 5.15 -4.23 -1.26 0.15 115.64 111.38 2pqe s THR 82 Ca -0.08 0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.34 2pqe s THR 82 Cb 0.10 -0.53 -0.10 0.00 1.34 0.00 0.00 72.50 73.31 2pqe s THR 82 CO 0.87 -0.10 1.94 -0.90 -0.54 0.00 0.00 174.62 175.89 2pqe n ASP 83 N 5.31 3.51 -2.25 3.99 5.75 -1.26 -4.34 116.55 127.26 2pqe n ASP 83 Ca -0.05 -2.44 -0.07 0.00 -0.01 0.00 0.00 54.79 52.21 2pqe n ASP 83 Cb 0.50 -1.04 -0.01 0.00 -1.03 0.00 0.00 41.12 39.53 2pqe n ASP 83 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2pqe n LYS 84 N 5.48 -2.31 -0.11 0.11 3.00 -1.26 -4.70 118.16 118.38 2pqe n LYS 84 Ca 0.43 0.37 0.01 0.00 -0.00 0.00 0.00 58.31 59.12 2pqe n LYS 84 Cb 0.24 -4.85 0.01 0.00 0.00 0.00 0.00 35.03 30.43 2pqe n LYS 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2pqe n TYR 85 N -2.76 0.00 -1.49 5.64 4.02 -1.26 -4.99 117.16 116.32 2pqe n TYR 85 Ca -0.08 -0.19 -0.17 0.00 -0.01 0.00 0.00 57.90 57.44 2pqe n TYR 85 Cb 0.51 -0.03 -0.07 0.00 -0.02 0.00 0.00 39.34 39.72 2pqe n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pqe n GLY 86 N -0.23 1.62 2.32 2.72 0.00 -1.26 -4.95 105.19 105.42 2pqe n GLY 86 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 2pqe n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqe n ARG 87 N -2.01 -0.43 -3.35 1.61 5.12 -1.26 -4.83 116.66 111.51 2pqe n ARG 87 Ca -0.17 -1.38 -0.34 0.00 -1.93 0.00 0.00 57.85 54.03 2pqe n ARG 87 Cb 0.59 -0.67 -0.05 0.00 -1.16 0.00 0.00 32.46 31.17 2pqe n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pqe n GLY 88 N -0.00 4.77 3.68 -0.13 0.00 0.27 -4.19 105.19 109.59 2pqe n GLY 88 Ca 0.10 -2.70 -0.48 0.00 0.00 0.00 0.00 46.02 42.93 2pqe n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pqe n LEU 89 N 1.30 3.42 0.00 0.99 4.77 0.12 -2.07 117.00 125.53 2pqe n LEU 89 Ca 0.27 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 2pqe n LEU 89 Cb 0.38 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 2pqe n LEU 89 CO 0.49 -0.07 0.00 0.00 -1.33 0.00 0.00 177.39 176.48 2pqe n ALA 90 N 6.83 0.00 -1.81 -1.18 0.00 0.32 -4.65 120.51 120.01 2pqe n ALA 90 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.29 2pqe n ALA 90 Cb 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.68 2pqe n ALA 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2pqe s TYR 91 N -2.00 3.83 -0.11 0.00 2.02 -1.03 -1.75 117.35 118.31 2pqe s TYR 91 Ca 0.00 1.80 -0.07 0.00 -0.37 0.00 0.00 57.07 58.43 2pqe s TYR 91 Cb 0.00 -2.91 -0.04 0.00 -0.40 0.00 0.00 41.96 38.61 2pqe s TYR 91 CO 0.00 0.35 0.14 0.42 -1.57 0.00 0.00 175.55 174.90 2pqe s ILE 92 N -1.38 5.50 -0.08 2.71 -1.09 -1.26 -2.24 121.20 123.35 2pqe s ILE 92 Ca 0.44 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 2pqe s ILE 92 Cb -0.22 -3.41 0.02 0.00 -1.58 0.00 0.00 42.46 37.28 2pqe s ILE 92 CO 0.27 0.60 -0.06 -0.31 -1.23 0.00 0.00 174.94 174.21 2pqe s TYR 93 N -1.05 1.09 -0.21 3.97 2.02 0.31 -1.89 117.35 121.59 2pqe s TYR 93 Ca 0.16 -0.43 -0.06 0.00 -0.37 0.00 0.00 57.07 56.37 2pqe s TYR 93 Cb -0.12 -0.96 -0.03 0.00 -0.40 0.00 0.00 41.96 40.45 2pqe s TYR 93 CO 0.05 -0.35 0.03 0.00 -1.57 0.00 0.00 175.55 173.71 2pqe s ALA 94 N 1.42 3.12 -1.71 3.71 0.00 0.30 0.69 121.76 129.30 2pqe s ALA 94 Ca -0.02 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 2pqe s ALA 94 Cb -0.13 -1.88 0.12 0.00 0.00 0.00 0.00 23.12 21.23 2pqe s ALA 94 CO -0.04 -0.19 0.35 -3.47 0.00 0.00 0.00 175.76 172.41 2pqe n ASP 95 N 4.32 -0.66 -0.22 0.00 2.03 0.22 0.15 116.55 122.38 2pqe n ASP 95 Ca -0.17 -1.24 -0.03 0.00 0.52 0.00 0.00 54.79 53.88 2pqe n ASP 95 Cb 0.52 -1.74 -0.01 0.00 -0.72 0.00 0.00 41.12 39.16 2pqe n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pqe n GLY 96 N -1.78 0.59 3.24 0.27 0.00 -1.26 -5.04 105.19 101.21 2pqe n GLY 96 Ca -0.10 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 2pqe n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pqe s LYS 97 N -2.30 1.68 -0.39 1.61 2.47 0.41 -5.10 119.74 118.12 2pqe s LYS 97 Ca 0.00 -0.81 -0.29 0.00 -1.56 0.00 0.00 55.97 53.31 2pqe s LYS 97 Cb 0.00 -1.66 0.02 0.00 -1.46 0.00 0.00 37.83 34.73 2pqe s LYS 97 CO 0.00 0.45 1.18 -1.64 0.16 0.00 0.00 175.35 175.50 2pqe s MET 98 N -0.64 3.86 0.19 4.03 -1.94 -1.26 0.11 119.30 123.64 2pqe s MET 98 Ca 0.08 0.90 -0.09 0.00 -1.71 0.00 0.00 55.69 54.87 2pqe s MET 98 Cb -0.08 -3.86 0.08 0.00 2.01 0.00 0.00 34.83 32.98 2pqe s MET 98 CO -0.00 -1.20 1.65 0.28 -0.01 0.00 0.00 175.02 175.75 2pqe h VAL 99 N 6.04 1.27 -0.71 -6.03 2.07 -1.74 -2.18 116.25 114.96 2pqe h VAL 99 Ca -0.23 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.16 2pqe h VAL 99 Cb 1.07 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2pqe h VAL 99 CO 1.08 0.42 0.47 -0.55 0.02 0.00 0.00 177.57 179.00 2pqe h ASN 100 N 0.99 0.80 0.14 0.57 -1.07 -1.91 0.15 115.58 115.24 2pqe h ASN 100 Ca 0.18 -0.02 -0.01 0.00 0.07 0.00 0.00 56.30 56.53 2pqe h ASN 100 Cb 0.54 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 36.60 2pqe h ASN 100 CO 0.03 0.57 -0.07 -0.33 0.07 0.00 0.00 177.43 177.70 2pqe h GLU 101 N 0.94 -0.18 -0.65 4.14 5.08 -1.89 -0.84 114.58 121.18 2pqe h GLU 101 Ca 0.27 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.67 2pqe h GLU 101 Cb -0.08 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2pqe h GLU 101 CO -0.07 0.11 0.43 0.00 -1.00 0.00 0.00 179.01 178.48 2pqe h ALA 102 N 0.34 1.61 0.16 3.43 0.00 -1.25 0.83 119.26 124.39 2pqe h ALA 102 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2pqe h ALA 102 Cb 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2pqe h ALA 102 CO 0.03 0.33 -0.08 -0.07 0.00 0.00 0.00 179.25 179.46 2pqe h LEU 103 N 0.81 -0.18 -0.43 0.00 3.38 -0.87 -1.92 115.31 116.09 2pqe h LEU 103 Ca 0.25 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2pqe h LEU 103 Cb 0.02 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2pqe h LEU 103 CO -0.07 0.29 -0.27 0.58 0.09 0.00 0.00 178.44 179.07 2pqe h VAL 104 N -0.72 1.27 -0.18 1.22 2.07 -0.97 0.78 116.25 119.73 2pqe h VAL 104 Ca -0.02 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 2pqe h VAL 104 Cb 0.51 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2pqe h VAL 104 CO 0.04 0.49 0.00 0.03 0.02 0.00 0.00 177.57 178.15 2pqe h ARG 105 N 0.78 0.26 0.00 1.57 2.47 0.62 -2.25 114.38 117.84 2pqe h ARG 105 Ca 0.09 -0.04 -0.19 0.00 -1.26 0.00 0.00 59.98 58.58 2pqe h ARG 105 Cb 0.85 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.09 2pqe h ARG 105 CO 0.08 0.29 -1.22 1.96 0.56 0.00 0.00 179.97 181.64 2pqe h GLN 106 N 0.26 0.00 0.00 0.04 7.50 -1.14 -3.45 115.11 118.32 2pqe h GLN 106 Ca 0.06 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.21 2pqe h GLN 106 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.71 2pqe h GLN 106 CO 0.00 0.51 0.00 0.41 -1.50 0.00 0.00 178.83 178.26 2pqe n GLY 107 N 1.39 0.96 0.01 3.46 0.00 0.19 -4.26 105.19 106.95 2pqe n GLY 107 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 2pqe n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pqe n LEU 108 N 0.00 1.16 -4.41 0.99 7.99 0.25 -0.68 117.00 122.30 2pqe n LEU 108 Ca 0.00 -0.01 -0.28 0.00 -0.01 0.00 0.00 56.01 55.72 2pqe n LEU 108 Cb 0.00 -0.01 -0.12 0.00 -0.11 0.00 0.00 43.42 43.18 2pqe n LEU 108 CO 0.00 0.26 -0.54 0.00 -1.51 0.00 0.00 177.39 175.59 2pqe s ALA 109 N -2.07 2.49 0.32 -1.18 0.00 -1.08 -4.53 121.76 115.70 2pqe s ALA 109 Ca -0.03 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.37 2pqe s ALA 109 Cb 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2pqe s ALA 109 CO 0.10 0.48 0.08 0.36 0.00 0.00 0.00 175.76 176.77 2pqe n LYS 110 N 0.52 1.17 -3.09 0.00 -0.00 -0.47 -3.85 118.16 112.43 2pqe n LYS 110 Ca -0.15 -2.21 -0.43 0.00 -0.00 0.00 0.00 58.31 55.52 2pqe n LYS 110 Cb 0.55 0.49 -0.06 0.00 -0.00 0.00 0.00 35.03 36.00 2pqe n LYS 110 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2pqe s VAL 111 N -1.98 4.79 0.00 0.58 1.01 -1.26 -1.59 120.40 121.95 2pqe s VAL 111 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2pqe s VAL 111 Cb -0.00 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2pqe s VAL 111 CO 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 175.10 174.37 2pqe n ALA 112 N 6.39 0.00 -3.56 5.51 0.00 -0.90 -4.88 120.51 123.07 2pqe n ALA 112 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 2pqe n ALA 112 Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 2pqe n ALA 112 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2pqe s TYR 113 N -0.75 1.53 -0.72 0.00 2.02 -1.26 -4.83 117.35 113.33 2pqe s TYR 113 Ca 0.00 -2.28 -0.16 0.00 -0.37 0.00 0.00 57.07 54.27 2pqe s TYR 113 Cb 0.00 -1.40 0.17 0.00 -0.40 0.00 0.00 41.96 40.33 2pqe s TYR 113 CO 0.00 -0.78 0.70 0.08 -1.57 0.00 0.00 175.55 173.98 2pqe s VAL 114 N 0.25 5.33 -0.42 0.71 1.01 -1.26 -4.89 120.40 121.13 2pqe s VAL 114 Ca 0.24 -1.92 0.03 0.00 0.00 0.00 0.00 61.98 60.32 2pqe s VAL 114 Cb -0.12 -4.45 0.56 0.00 0.00 0.00 0.00 36.38 32.36 2pqe s VAL 114 CO -0.08 -1.02 1.84 0.00 0.00 0.00 0.00 175.10 175.83 2pqe n TYR 115 N 4.84 2.72 -0.09 5.22 0.18 -1.26 -4.17 117.16 124.61 2pqe n TYR 115 Ca 0.03 -1.84 -0.08 0.00 1.88 0.00 0.00 57.90 57.89 2pqe n TYR 115 Cb 0.44 -0.93 -0.15 0.00 -0.38 0.00 0.00 39.34 38.32 2pqe n TYR 115 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2pqe n LYS 116 N -0.90 0.90 0.00 -3.48 5.02 -1.26 -4.99 118.16 113.45 2pqe n LYS 116 Ca 0.53 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 2pqe n LYS 116 Cb 1.41 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 2pqe n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pqe n GLY 117 N 1.80 0.37 3.58 0.72 0.00 -1.26 -4.65 105.19 105.75 2pqe n GLY 117 Ca -0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 2pqe n GLY 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pqe s ASN 118 N 0.00 4.30 -0.33 1.61 2.47 -1.26 -4.21 114.94 117.52 2pqe s ASN 118 Ca 0.00 -1.23 0.16 0.00 0.42 0.00 0.00 52.86 52.21 2pqe s ASN 118 Cb 0.00 -2.59 0.46 0.00 -1.45 0.00 0.00 41.25 37.67 2pqe s ASN 118 CO 0.00 -3.82 1.01 -3.20 -3.72 0.00 0.00 177.10 167.38 2pqe n ASN 119 N 16.83 2.14 -0.10 -4.21 2.85 -1.26 -4.78 115.26 126.73 2pqe n ASN 119 Ca 0.43 -2.80 -0.20 0.00 -0.11 0.00 0.00 54.58 51.90 2pqe n ASN 119 Cb 0.47 -0.50 -0.07 0.00 1.24 0.00 0.00 39.78 40.91 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2pqe n THR 120 N -0.25 1.09 0.32 -0.44 -1.04 -1.26 -4.55 114.28 108.14 2pqe n THR 120 Ca 0.15 -0.30 0.06 0.00 -2.04 0.00 0.00 64.05 61.92 2pqe n THR 120 Cb 0.80 -1.69 0.22 0.00 -1.82 0.00 0.00 70.33 67.83 2pqe n THR 120 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2pqe n HIS 121 N -3.78 0.84 0.25 -1.42 8.25 -1.26 -4.27 115.22 113.82 2pqe n HIS 121 Ca -0.39 -0.35 0.16 0.00 -0.26 0.00 0.00 57.72 56.89 2pqe n HIS 121 Cb 0.79 -0.12 0.87 0.00 1.12 0.00 0.00 29.99 32.64 2pqe n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2pqe h GLU 122 N 2.55 0.00 0.18 -0.41 4.81 -1.89 -2.45 114.58 117.37 2pqe h GLU 122 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2pqe h GLU 122 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2pqe h GLU 122 CO 0.11 0.00 -0.08 1.96 -0.73 0.00 0.00 179.01 180.26 2pqe h GLN 123 N 0.00 -0.23 -0.23 1.92 1.08 -1.93 -2.37 115.11 113.35 2pqe h GLN 123 Ca 0.00 0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.13 2pqe h GLN 123 Cb 0.02 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2pqe h GLN 123 CO 0.00 0.19 -0.23 1.37 -0.95 0.00 0.00 178.83 179.21 2pqe h LEU 124 N -0.80 0.42 -0.30 1.46 -0.00 -1.82 -1.65 115.31 112.61 2pqe h LEU 124 Ca -0.02 -0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.71 2pqe h LEU 124 Cb 0.52 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 2pqe h LEU 124 CO 0.04 0.65 0.12 -0.07 -0.00 0.00 0.00 178.44 179.18 2pqe h LEU 125 N 0.38 0.43 -0.87 0.17 3.38 -1.51 -1.84 115.31 115.44 2pqe h LEU 125 Ca 0.06 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 2pqe h LEU 125 Cb 0.61 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2pqe h LEU 125 CO 0.04 0.48 -0.45 0.03 0.09 0.00 0.00 178.44 178.63 2pqe h ARG 126 N 0.34 0.24 0.09 1.13 3.08 -1.28 -1.81 114.38 116.17 2pqe h ARG 126 Ca 0.10 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2pqe h ARG 126 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2pqe h ARG 126 CO -0.01 0.65 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.28 2pqe h LYS 127 N 0.20 -0.11 -0.44 0.04 1.63 -1.03 0.68 116.57 117.54 2pqe h LYS 127 Ca 0.01 0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.72 2pqe h LYS 127 Cb 0.88 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.52 2pqe h LYS 127 CO 0.07 0.06 -0.13 0.66 -3.45 0.00 0.00 179.45 176.65 2pqe h SER 128 N -0.26 0.81 -0.26 4.20 4.64 -1.32 -1.33 113.55 120.03 2pqe h SER 128 Ca -0.01 -0.26 -0.20 0.00 -0.47 0.00 0.00 61.79 60.86 2pqe h SER 128 Cb 0.22 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2pqe h SER 128 CO 0.02 0.95 -0.60 -0.08 -0.87 0.00 0.00 176.83 176.25 2pqe h GLU 129 N 0.73 0.86 -0.19 4.77 4.81 -1.20 -2.48 114.58 121.89 2pqe h GLU 129 Ca 0.12 -0.58 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2pqe h GLU 129 Cb 0.63 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2pqe h GLU 129 CO 0.04 1.21 0.02 0.00 -0.73 0.00 0.00 179.01 179.56 2pqe h ALA 130 N 0.65 0.26 -0.82 2.92 0.00 0.50 0.04 119.26 122.80 2pqe h ALA 130 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2pqe h ALA 130 Cb 1.22 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2pqe h ALA 130 CO 0.13 -0.06 0.48 -0.56 0.00 0.00 0.00 179.25 179.24 2pqe h GLN 131 N 0.11 1.11 0.00 0.00 3.07 -1.29 -0.99 115.11 117.12 2pqe h GLN 131 Ca 0.06 -0.10 -0.12 0.00 0.09 0.00 0.00 58.65 58.57 2pqe h GLN 131 Cb 0.33 -0.23 -0.02 0.00 0.08 0.00 0.00 27.48 27.64 2pqe h GLN 131 CO 0.01 0.78 -0.59 0.00 0.09 0.00 0.00 178.83 179.11 2pqe h ALA 132 N 1.41 0.88 0.05 0.06 0.00 -1.30 -2.22 119.26 118.14 2pqe h ALA 132 Ca 0.29 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2pqe h ALA 132 Cb -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2pqe h ALA 132 CO -0.05 0.74 -0.02 -0.22 0.00 0.00 0.00 179.25 179.70 2pqe h LYS 133 N 0.00 -0.06 -0.01 0.00 3.11 -0.15 0.62 116.57 120.08 2pqe h LYS 133 Ca -0.01 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 2pqe h LYS 133 Cb 1.15 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.38 2pqe h LYS 133 CO 0.08 0.48 -0.31 0.87 -2.81 0.00 0.00 179.45 177.75 2pqe h LYS 134 N -0.65 0.03 0.00 1.90 1.57 -1.27 -2.74 116.57 115.41 2pqe h LYS 134 Ca -0.01 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 2pqe h LYS 134 Cb 0.57 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 2pqe h LYS 134 CO 0.01 0.34 -1.20 0.93 -0.57 0.00 0.00 179.45 178.96 2pqe h GLU 135 N 0.02 0.00 -5.36 3.15 4.39 -1.41 -3.49 114.58 111.88 2pqe h GLU 135 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2pqe h GLU 135 Cb 0.57 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.27 2pqe h GLU 135 CO 0.04 0.39 -0.21 1.63 -1.16 0.00 0.00 179.01 179.70 2pqe n LYS 136 N -3.00 -1.53 0.00 2.33 4.76 0.22 -5.00 118.16 115.93 2pqe n LYS 136 Ca -0.07 1.33 0.00 0.00 -2.87 0.00 0.00 58.31 56.70 2pqe n LYS 136 Cb 0.84 -5.73 0.00 0.00 -1.84 0.00 0.00 35.03 28.29 2pqe n LYS 136 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2pqe n LEU 137 N -2.13 1.05 0.00 -0.35 4.77 -1.07 -4.60 117.00 114.68 2pqe n LEU 137 Ca -0.02 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2pqe n LEU 137 Cb 0.53 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2pqe n LEU 137 CO 0.54 -0.23 0.00 0.59 -1.33 0.00 0.00 177.39 176.96 2pqe n ASN 138 N -1.19 0.00 -0.32 -1.43 4.13 -1.26 -4.71 115.26 110.48 2pqe n ASN 138 Ca 0.00 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.36 2pqe n ASN 138 Cb 0.00 0.00 0.32 0.00 -1.54 0.00 0.00 39.78 38.56 2pqe n ASN 138 CO 0.00 0.00 0.00 0.16 0.28 0.00 0.00 177.26 177.70 2pqe h ILE 139 N 0.00 0.85 -0.91 2.41 3.07 -1.20 0.53 117.51 122.25 2pqe h ILE 139 Ca 0.00 -0.28 -0.49 0.00 1.55 0.00 0.00 64.86 65.63 2pqe h ILE 139 Cb 0.00 -0.04 -0.28 0.00 -0.27 0.00 0.00 36.82 36.22 2pqe h ILE 139 CO 0.00 0.15 0.63 0.79 -1.05 0.00 0.00 178.15 178.67 2pqe n TRP 140 N -4.61 2.83 -1.33 0.16 5.03 -1.26 -4.37 117.44 113.90 2pqe n TRP 140 Ca 0.19 -1.86 -0.12 0.00 3.03 0.00 0.00 57.50 58.73 2pqe n TRP 140 Cb 0.44 -0.95 0.20 0.00 -1.03 0.00 0.00 31.31 29.97 2pqe n TRP 140 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2pqe n SER 141 N -0.98 3.16 -1.40 -0.99 2.88 0.18 -4.25 113.62 112.22 2pqe n SER 141 Ca 0.55 -3.66 -0.00 0.00 -1.33 0.00 0.00 58.87 54.43 2pqe n SER 141 Cb 1.47 -0.72 0.01 0.00 -0.75 0.00 0.00 64.21 64.22 2pqe n SER 141 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2pqe n GLU 142 N -1.06 0.14 -2.77 -1.46 0.28 -1.26 -5.01 120.64 109.49 2pqe n GLU 142 Ca 0.44 -0.15 -0.29 0.00 -0.16 0.00 0.00 57.16 57.00 2pqe n GLU 142 Cb 1.32 0.16 -0.02 0.00 1.43 0.00 0.00 31.44 34.33 2pqe n GLU 142 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2pqe s ASP 143 N -0.14 6.39 0.00 -1.84 2.15 -1.26 -4.97 116.67 116.99 2pqe s ASP 143 Ca 0.01 1.01 0.00 0.00 0.43 0.00 0.00 52.55 54.00 2pqe s ASP 143 Cb 0.05 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 2pqe s ASP 143 CO -0.01 -0.48 0.00 -3.20 -0.17 0.00 0.00 175.17 171.31 2pqe n ASN 144 N -1.75 0.00 -1.46 -0.34 2.85 -1.26 -5.17 115.26 108.13 2pqe n ASN 144 Ca 0.01 0.00 0.19 0.00 -0.11 0.00 0.00 54.58 54.67 2pqe n ASN 144 Cb 0.54 0.21 -0.07 0.00 1.24 0.00 0.00 39.78 41.70 2pqe n ASN 144 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pqe n ALA 145 N -2.20 -3.83 -1.49 5.20 0.00 -1.26 -4.59 120.51 112.34 2pqe n ALA 145 Ca 0.00 0.74 -0.08 0.00 0.00 0.00 0.00 53.44 54.10 2pqe n ALA 145 Cb 0.00 -1.48 0.18 0.00 0.00 0.00 0.00 19.45 18.15 2pqe n ALA 145 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pqe n ASP 146 N -4.36 2.89 -2.77 0.00 2.03 -1.26 -4.99 116.55 108.10 2pqe n ASP 146 Ca -0.05 -3.79 -0.03 0.00 0.52 0.00 0.00 54.79 51.44 2pqe n ASP 146 Cb 0.69 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 2pqe n ASP 146 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2pqe n SER 147 N -1.09 -8.00 -2.73 1.67 2.88 -1.26 -5.03 113.62 100.06 2pqe n SER 147 Ca 0.37 1.09 -0.09 0.00 -1.33 0.00 0.00 58.87 58.91 2pqe n SER 147 Cb 1.05 -5.37 0.10 0.00 -0.75 0.00 0.00 64.21 59.24 2pqe n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pqe n GLY 148 N 0.31 0.81 0.17 0.46 0.00 -1.26 -5.32 105.19 100.36 2pqe n GLY 148 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.05 2pqe n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14