#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqe n THR 2 N 0.00 0.14 -4.11 0.00 -1.04 -1.26 -5.13 114.28 102.88 2pqe n THR 2 Ca 0.00 0.05 -0.27 0.00 -2.04 0.00 0.00 64.05 61.79 2pqe n THR 2 Cb 0.00 -0.84 -0.04 0.00 -1.82 0.00 0.00 70.33 67.63 2pqe n THR 2 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2pqe s SER 3 N -4.90 4.50 0.04 8.00 0.15 -1.26 -5.07 113.70 115.16 2pqe s SER 3 Ca 0.00 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.38 2pqe s SER 3 Cb 0.00 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2pqe s SER 3 CO 0.00 -0.90 0.00 0.41 1.20 0.00 0.00 173.24 173.95 2pqe n THR 4 N -1.52 0.00 -2.61 6.45 -1.04 -1.26 -5.13 114.28 109.17 2pqe n THR 4 Ca -0.05 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.71 2pqe n THR 4 Cb 0.65 -0.39 0.02 0.00 -1.82 0.00 0.00 70.33 68.79 2pqe n THR 4 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2pqe s LYS 5 N -2.00 2.98 -1.00 -2.82 0.00 -1.26 -5.02 119.74 110.63 2pqe s LYS 5 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 55.97 55.63 2pqe s LYS 5 Cb 0.00 -2.38 0.15 0.00 0.00 0.00 0.00 37.83 35.61 2pqe s LYS 5 CO 0.00 -0.54 1.18 0.15 0.00 0.00 0.00 175.35 176.14 2pqe s LYS 6 N -4.83 3.75 -0.25 1.78 3.01 -1.26 -4.60 119.74 117.34 2pqe s LYS 6 Ca 0.52 -2.08 0.11 0.00 -1.01 0.00 0.00 55.97 53.51 2pqe s LYS 6 Cb -0.10 -4.91 0.33 0.00 -1.01 0.00 0.00 37.83 32.14 2pqe s LYS 6 CO 0.43 -1.72 1.39 -0.11 0.51 0.00 0.00 175.35 175.85 2pqe n LEU 7 N 5.98 -1.10 -4.39 3.17 7.94 -1.26 -5.09 117.00 122.25 2pqe n LEU 7 Ca 0.27 -2.91 -0.44 0.00 -1.11 0.00 0.00 56.01 51.81 2pqe n LEU 7 Cb 0.47 0.10 -0.07 0.00 0.53 0.00 0.00 43.42 44.45 2pqe n LEU 7 CO 0.52 1.60 0.17 -2.28 -1.11 0.00 0.00 177.39 176.29 2pqe s HIS 8 N -0.18 3.17 0.58 1.96 2.46 -1.26 -5.06 115.29 116.96 2pqe s HIS 8 Ca 0.09 -0.87 -0.11 0.00 0.47 0.00 0.00 55.06 54.63 2pqe s HIS 8 Cb 0.34 -3.45 -0.05 0.00 -0.13 0.00 0.00 32.58 29.30 2pqe s HIS 8 CO -0.10 -0.94 0.99 -1.59 -2.47 0.00 0.00 174.74 170.63 2pqe s LYS 9 N 2.02 3.64 -0.30 2.88 0.00 -1.26 -4.78 119.74 121.94 2pqe s LYS 9 Ca 0.08 0.70 -0.18 0.00 0.00 0.00 0.00 55.97 56.57 2pqe s LYS 9 Cb -0.24 -2.13 0.20 0.00 0.00 0.00 0.00 37.83 35.66 2pqe s LYS 9 CO 0.08 -0.47 1.26 -2.00 0.00 0.00 0.00 175.35 174.22 2pqe s GLU 10 N -4.95 0.09 0.00 1.78 2.12 0.01 -4.76 118.70 113.00 2pqe s GLU 10 Ca 0.55 0.14 0.00 0.00 0.36 0.00 0.00 54.97 56.02 2pqe s GLU 10 Cb -0.11 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.31 2pqe s GLU 10 CO 0.49 -0.02 0.00 0.00 -0.54 0.00 0.00 175.26 175.20 2pqe n ALA 11 N 2.85 0.41 0.00 6.30 0.00 -1.25 -2.36 120.51 126.47 2pqe n ALA 11 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2pqe n ALA 11 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -3.00 0.00 -3.62 0.00 0.00 -1.00 -4.15 120.51 108.73 2pqe n ALA 12 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2pqe n ALA 12 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.00 0.13 0.00 2.01 -1.05 -4.29 115.64 112.44 2pqe s THR 13 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 2pqe s THR 13 Cb 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 2pqe s THR 13 CO 0.00 0.00 1.01 -0.22 -0.69 0.00 0.00 174.62 174.72 2pqe s LEU 14 N 0.21 4.49 -0.11 4.42 0.20 -1.26 0.14 118.68 126.77 2pqe s LEU 14 Ca -0.00 1.88 -0.10 0.00 0.69 0.00 0.00 54.13 56.60 2pqe s LEU 14 Cb -0.05 -3.59 -0.09 0.00 -0.43 0.00 0.00 46.19 42.04 2pqe s LEU 14 CO 0.00 -0.12 0.27 0.40 -0.29 0.00 0.00 176.35 176.61 2pqe h ILE 15 N 3.97 0.59 -0.08 6.68 1.08 0.89 -3.45 117.51 127.19 2pqe h ILE 15 Ca -0.43 -1.42 0.27 0.00 -0.39 0.00 0.00 64.86 62.89 2pqe h ILE 15 Cb 1.21 1.10 -0.26 0.00 -3.07 0.00 0.00 36.82 35.80 2pqe h ILE 15 CO 0.72 0.20 0.50 -0.75 -0.69 0.00 0.00 178.15 178.13 2pqe s LYS 16 N -1.83 0.03 0.30 2.37 2.36 -0.99 -5.01 119.74 116.97 2pqe s LYS 16 Ca -0.06 0.06 -0.29 0.00 -2.55 0.00 0.00 55.97 53.13 2pqe s LYS 16 Cb -0.01 0.04 -0.10 0.00 -1.05 0.00 0.00 37.83 36.71 2pqe s LYS 16 CO 0.23 -0.01 1.13 0.00 1.55 0.00 0.00 175.35 178.24 2pqe s ALA 17 N 2.23 3.38 -0.08 3.13 0.00 -1.26 -2.46 121.76 126.69 2pqe s ALA 17 Ca -0.02 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.89 2pqe s ALA 17 Cb -0.02 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 2pqe s ALA 17 CO -0.14 -0.25 -0.07 -0.89 0.00 0.00 0.00 175.76 174.41 2pqe n ILE 18 N 0.96 0.49 -4.01 0.00 2.08 -0.46 -4.93 119.36 113.49 2pqe n ILE 18 Ca -0.00 -0.19 -0.10 0.00 0.56 0.00 0.00 62.75 63.02 2pqe n ILE 18 Cb 0.45 -0.80 -0.11 0.00 -0.75 0.00 0.00 39.64 38.42 2pqe n ILE 18 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 2pqe s ASP 19 N -4.77 0.41 0.53 4.38 1.01 0.21 -4.91 116.67 113.54 2pqe s ASP 19 Ca -0.11 -0.57 0.38 0.00 0.71 0.00 0.00 52.55 52.96 2pqe s ASP 19 Cb 0.03 0.10 1.56 0.00 1.01 0.00 0.00 42.92 45.62 2pqe s ASP 19 CO 0.20 -0.31 1.74 1.23 0.21 0.00 0.00 175.17 178.24 2pqe h GLY 20 N 4.43 0.15 -0.57 0.21 0.00 -1.72 0.39 103.07 105.96 2pqe h GLY 20 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2pqe h GLY 20 CO 0.44 -0.03 -0.04 2.09 0.00 0.00 0.00 176.54 179.00 2pqe n ASP 21 N -4.18 1.52 -3.88 0.19 5.75 -1.22 -4.78 116.55 109.94 2pqe n ASP 21 Ca 0.30 -1.26 -0.30 0.00 -0.01 0.00 0.00 54.79 53.53 2pqe n ASP 21 Cb 1.41 0.11 -0.15 0.00 -1.03 0.00 0.00 41.12 41.45 2pqe n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2pqe s THR 22 N -0.77 1.38 0.00 2.12 2.01 0.14 -0.81 115.64 119.71 2pqe s THR 22 Ca 0.09 -1.38 0.01 0.00 0.31 0.00 0.00 61.69 60.71 2pqe s THR 22 Cb 0.06 -1.83 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2pqe s THR 22 CO 0.12 -0.34 -0.02 0.68 -0.69 0.00 0.00 174.62 174.37 2pqe s VAL 23 N 1.42 0.16 -0.33 3.82 -7.23 0.36 0.64 120.40 119.22 2pqe s VAL 23 Ca 0.01 -0.27 -0.25 0.00 -1.81 0.00 0.00 61.98 59.66 2pqe s VAL 23 Cb -0.18 -0.18 0.01 0.00 0.56 0.00 0.00 36.38 36.59 2pqe s VAL 23 CO -0.11 -0.07 0.88 -0.54 -0.31 0.00 0.00 175.10 174.94 2pqe s LYS 24 N -0.36 3.91 -0.03 4.82 1.02 -1.03 0.12 119.74 128.19 2pqe s LYS 24 Ca -0.03 0.62 0.05 0.00 0.02 0.00 0.00 55.97 56.63 2pqe s LYS 24 Cb -0.03 -3.76 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 2pqe s LYS 24 CO -0.00 -0.82 -0.16 -1.17 -0.92 0.00 0.00 175.35 172.28 2pqe s LEU 25 N 3.24 2.65 -0.49 3.17 0.20 0.12 0.14 118.68 127.71 2pqe s LEU 25 Ca 0.36 -0.26 -0.22 0.00 0.69 0.00 0.00 54.13 54.71 2pqe s LEU 25 Cb -0.13 -1.53 0.04 0.00 -0.43 0.00 0.00 46.19 44.14 2pqe s LEU 25 CO 0.15 0.33 0.74 -0.32 -0.29 0.00 0.00 176.35 176.96 2pqe s MET 26 N -0.84 3.27 -0.00 1.98 1.75 0.38 -1.17 119.30 124.66 2pqe s MET 26 Ca 0.12 -0.45 0.03 0.00 -1.25 0.00 0.00 55.69 54.14 2pqe s MET 26 Cb -0.11 -4.02 -0.03 0.00 2.84 0.00 0.00 34.83 33.51 2pqe s MET 26 CO 0.01 -1.22 -0.07 -0.47 -0.65 0.00 0.00 175.02 172.62 2pqe s TYR 27 N 3.14 2.88 -0.54 4.11 6.14 0.25 -2.52 117.35 130.81 2pqe s TYR 27 Ca 0.24 -0.04 0.00 0.00 0.64 0.00 0.00 57.07 57.91 2pqe s TYR 27 Cb -0.15 -1.61 0.00 0.00 0.42 0.00 0.00 41.96 40.62 2pqe s TYR 27 CO 0.18 0.37 0.00 0.36 0.64 0.00 0.00 175.55 177.09 2pqe n LYS 28 N 1.61 -2.40 -0.81 4.97 2.85 -1.26 0.13 118.16 123.25 2pqe n LYS 28 Ca -0.16 0.30 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 2pqe n LYS 28 Cb 0.53 -4.79 0.00 0.00 -0.65 0.00 0.00 35.03 30.12 2pqe n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pqe n GLY 29 N -0.57 0.51 3.03 2.58 0.00 -1.26 -5.05 105.19 104.42 2pqe n GLY 29 Ca -0.07 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.50 0.85 -0.27 1.61 -2.07 0.35 -5.12 119.66 113.51 2pqe s GLN 30 Ca 0.00 -0.34 -0.24 0.00 -1.82 0.00 0.00 55.36 52.96 2pqe s GLN 30 Cb 0.00 -0.81 -0.00 0.00 -1.09 0.00 0.00 33.01 31.10 2pqe s GLN 30 CO 0.00 0.19 0.81 0.00 -1.32 0.00 0.00 175.29 174.97 2pqe s ALA 31 N -0.12 3.59 0.06 2.60 0.00 -1.26 0.84 121.76 127.47 2pqe s ALA 31 Ca 0.02 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.73 2pqe s ALA 31 Cb -0.05 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2pqe s ALA 31 CO -0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 175.76 174.62 2pqe s MET 32 N 2.92 0.62 -0.41 0.00 0.23 -0.32 -4.98 119.30 117.36 2pqe s MET 32 Ca 0.34 -0.93 -0.29 0.00 -1.03 0.00 0.00 55.69 53.78 2pqe s MET 32 Cb -0.15 -0.25 0.02 0.00 -1.53 0.00 0.00 34.83 32.92 2pqe s MET 32 CO 0.10 0.03 1.09 0.99 -2.03 0.00 0.00 175.02 175.20 2pqe s THR 33 N -2.08 4.35 0.11 3.16 2.01 -1.26 0.11 115.64 122.04 2pqe s THR 33 Ca -0.03 1.40 -0.05 0.00 0.31 0.00 0.00 61.69 63.32 2pqe s THR 33 Cb -0.05 -4.51 -0.05 0.00 0.01 0.00 0.00 72.50 67.89 2pqe s THR 33 CO -0.01 -0.77 0.35 -0.36 -0.69 0.00 0.00 174.62 173.13 2pqe s PHE 34 N 4.07 3.50 -0.02 4.92 0.40 0.32 0.42 117.98 131.59 2pqe s PHE 34 Ca 0.46 0.56 0.00 0.00 -0.60 0.00 0.00 56.93 57.35 2pqe s PHE 34 Cb -0.09 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.46 2pqe s PHE 34 CO 0.25 0.48 0.01 1.03 0.70 0.00 0.00 175.22 177.69 2pqe s ARG 35 N -2.44 0.12 0.18 0.44 1.81 -0.96 -0.49 118.95 117.61 2pqe s ARG 35 Ca 0.38 0.09 -0.32 0.00 -1.72 0.00 0.00 55.73 54.16 2pqe s ARG 35 Cb -0.13 -0.30 -0.11 0.00 -0.45 0.00 0.00 34.95 33.96 2pqe s ARG 35 CO 0.23 -0.11 1.66 -0.51 -0.68 0.00 0.00 175.30 175.89 2pqe s LEU 36 N 0.80 4.37 0.13 2.53 1.43 0.01 -1.35 118.68 126.60 2pqe s LEU 36 Ca -0.07 2.73 -0.23 0.00 -1.03 0.00 0.00 54.13 55.52 2pqe s LEU 36 Cb -0.10 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 2pqe s LEU 36 CO -0.02 -0.90 0.71 -0.76 0.23 0.00 0.00 176.35 175.61 2pqe s LEU 37 N 1.34 4.56 -1.83 1.79 1.43 -1.04 -3.78 118.68 121.16 2pqe s LEU 37 Ca 0.73 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 2pqe s LEU 37 Cb -0.46 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2pqe s LEU 37 CO 0.32 0.21 0.00 0.18 0.23 0.00 0.00 176.35 177.29 2pqe n LEU 38 N 1.76 -1.43 -4.13 1.79 4.77 -1.26 -4.86 117.00 113.64 2pqe n LEU 38 Ca -0.07 0.34 -0.16 0.00 -0.03 0.00 0.00 56.01 56.10 2pqe n LEU 38 Cb 0.49 -2.60 -0.12 0.00 -2.33 0.00 0.00 43.42 38.87 2pqe n LEU 38 CO 0.45 -0.74 -0.43 -0.69 -1.33 0.00 0.00 177.39 174.64 2pqe s VAL 39 N -2.64 0.86 -0.20 4.08 1.01 -1.25 -2.02 120.40 120.25 2pqe s VAL 39 Ca 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 61.98 60.70 2pqe s VAL 39 Cb 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.54 2pqe s VAL 39 CO 0.00 -0.32 0.08 -1.81 0.00 0.00 0.00 175.10 173.06 2pqe s ASP 40 N -1.73 2.68 -0.54 3.32 1.01 0.13 -4.44 116.67 117.10 2pqe s ASP 40 Ca -0.05 -0.78 0.04 0.00 0.71 0.00 0.00 52.55 52.48 2pqe s ASP 40 Cb -0.09 -0.36 0.13 0.00 1.01 0.00 0.00 42.92 43.61 2pqe s ASP 40 CO 0.01 -0.35 0.29 -0.89 0.21 0.00 0.00 175.17 174.44 2pqe s THR 41 N 2.05 2.64 0.20 -1.27 2.01 -1.26 0.11 115.64 120.11 2pqe s THR 41 Ca 0.02 -3.43 0.00 0.00 0.31 0.00 0.00 61.69 58.60 2pqe s THR 41 Cb -0.16 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.53 2pqe s THR 41 CO -0.13 -0.82 0.00 0.00 -0.69 0.00 0.00 174.62 172.98 2pqe n ALA 42 N 2.99 -2.23 0.00 7.40 0.00 -1.26 -2.98 120.51 124.43 2pqe n ALA 42 Ca 0.07 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2pqe n ALA 42 Cb 0.32 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -3.02 0.00 -3.16 0.00 4.07 -1.26 -4.82 120.64 112.45 2pqe n GLU 43 Ca 0.01 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 2pqe n GLU 43 Cb 0.39 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.82 2pqe n GLU 43 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2pqe n THR 44 N -1.46 -9.36 0.00 6.31 -1.04 -1.26 -4.92 114.28 102.56 2pqe n THR 44 Ca 0.00 -1.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.00 2pqe n THR 44 Cb 0.00 -6.60 0.00 0.00 -1.82 0.00 0.00 70.33 61.91 2pqe n THR 44 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2pqe n LYS 45 N -2.77 0.00 0.00 -2.82 -0.00 -1.26 -5.03 118.16 106.28 2pqe n LYS 45 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 2pqe n LYS 45 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.61 2pqe n LYS 45 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2pqe n HIS 46 N 0.00 -1.69 -2.74 5.58 -0.00 -1.26 -5.05 115.22 110.05 2pqe n HIS 46 Ca 0.00 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.11 2pqe n HIS 46 Cb 0.00 0.34 0.05 0.00 -0.12 0.00 0.00 29.99 30.26 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 -2.23 0.00 -0.11 3.57 -1.04 -1.26 -5.01 114.28 108.19 2pqe n THR 47 Ca 0.00 -1.31 -0.24 0.00 -2.04 0.00 0.00 64.05 60.46 2pqe n THR 47 Cb 0.00 1.36 -0.08 0.00 -1.82 0.00 0.00 70.33 69.79 2pqe n THR 47 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2pqe n LYS 48 N 1.83 0.48 -2.84 -2.82 -0.00 -1.26 -4.50 118.16 109.05 2pqe n LYS 48 Ca 0.09 0.21 -0.19 0.00 -0.00 0.00 0.00 58.31 58.43 2pqe n LYS 48 Cb 0.63 -1.31 -0.03 0.00 -0.00 0.00 0.00 35.03 34.31 2pqe n LYS 48 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2pqe n LYS 49 N -4.03 -1.12 0.00 -1.58 -0.00 -1.26 -1.03 118.16 109.14 2pqe n LYS 49 Ca -0.44 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 57.93 2pqe n LYS 49 Cb 0.81 -2.60 0.00 0.00 -0.00 0.00 0.00 35.03 33.24 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 -0.69 0.97 3.99 2.58 0.00 -1.26 -4.70 105.19 106.08 2pqe n GLY 50 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2pqe n GLY 50 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2pqe n VAL 51 N 0.00 -3.14 0.13 1.61 3.14 -0.19 -4.85 118.33 115.01 2pqe n VAL 51 Ca 0.00 -0.61 -0.02 0.00 -2.96 0.00 0.00 64.34 60.75 2pqe n VAL 51 Cb 0.00 -2.59 0.17 0.00 -1.06 0.00 0.00 33.84 30.36 2pqe n VAL 51 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2pqe h GLU 52 N -1.97 0.07 -0.42 1.45 4.11 -1.49 -3.11 114.58 113.21 2pqe h GLU 52 Ca -0.66 -0.04 -0.23 0.00 0.07 0.00 0.00 59.36 58.50 2pqe h GLU 52 Cb 1.38 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.50 2pqe h GLU 52 CO 0.60 0.64 -0.07 0.36 0.07 0.00 0.00 179.01 180.61 2pqe n LYS 53 N -3.85 1.95 -3.44 1.06 -0.00 -1.26 -4.93 118.16 107.69 2pqe n LYS 53 Ca -0.02 -3.25 -0.19 0.00 -0.00 0.00 0.00 58.31 54.86 2pqe n LYS 53 Cb 0.60 -1.87 0.08 0.00 -0.00 0.00 0.00 35.03 33.84 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 -1.10 -2.37 0.37 5.58 4.02 -1.18 -4.75 117.16 117.73 2pqe n TYR 54 Ca 0.36 0.93 -0.17 0.00 -0.01 0.00 0.00 57.90 59.01 2pqe n TYR 54 Cb 1.05 -4.91 -0.08 0.00 -0.02 0.00 0.00 39.34 35.37 2pqe n TYR 54 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2pqe h GLY 55 N -2.13 -0.99 1.08 2.72 0.00 -1.92 -2.03 103.07 99.81 2pqe h GLY 55 Ca -0.56 0.37 -0.27 0.00 0.00 0.00 0.00 47.33 46.87 2pqe h GLY 55 CO 0.50 -0.36 -1.13 0.00 0.00 0.00 0.00 176.54 175.55 2pqe h ALA 56 N -0.95 -0.04 -0.60 3.60 0.00 -1.92 -3.28 119.26 116.08 2pqe h ALA 56 Ca -0.10 -0.75 0.12 0.00 0.00 0.00 0.00 54.91 54.19 2pqe h ALA 56 Cb 0.75 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2pqe h ALA 56 CO 0.16 0.59 0.41 1.49 0.00 0.00 0.00 179.25 181.90 2pqe h GLU 57 N 0.10 0.28 -0.12 0.00 4.81 -1.95 -1.75 114.58 115.95 2pqe h GLU 57 Ca -0.18 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2pqe h GLU 57 Cb 1.83 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.15 2pqe h GLU 57 CO 0.22 0.18 0.01 0.00 -0.73 0.00 0.00 179.01 178.69 2pqe h ALA 58 N 1.70 0.16 -0.58 2.92 0.00 -1.42 -2.61 119.26 119.44 2pqe h ALA 58 Ca 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2pqe h ALA 58 Cb 0.73 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2pqe h ALA 58 CO -0.06 -0.17 0.32 0.66 0.00 0.00 0.00 179.25 180.00 2pqe h SER 59 N -0.03 0.70 -0.26 0.00 4.64 -1.42 -2.57 113.55 114.61 2pqe h SER 59 Ca 0.04 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2pqe h SER 59 Cb 0.32 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2pqe h SER 59 CO 0.00 0.57 0.14 0.00 -0.87 0.00 0.00 176.83 176.67 2pqe h ALA 60 N 1.55 0.33 -0.23 5.18 0.00 -1.25 0.95 119.26 125.79 2pqe h ALA 60 Ca 0.21 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2pqe h ALA 60 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2pqe h ALA 60 CO -0.03 -0.14 0.02 0.35 0.00 0.00 0.00 179.25 179.44 2pqe h PHE 61 N 0.30 0.02 -0.04 0.00 3.04 -1.09 0.71 116.94 119.89 2pqe h PHE 61 Ca 0.09 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.88 2pqe h PHE 61 Cb 0.07 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 2pqe h PHE 61 CO -0.03 -0.02 -0.75 1.15 -2.02 0.00 0.00 178.31 176.64 2pqe h THR 62 N 0.09 1.44 -0.17 4.41 2.02 -1.33 -1.30 112.91 118.07 2pqe h THR 62 Ca 0.11 -2.30 -0.13 0.00 0.77 0.00 0.00 66.41 64.86 2pqe h THR 62 Cb 0.13 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2pqe h THR 62 CO -0.17 0.68 -0.40 0.50 0.37 0.00 0.00 175.52 176.50 2pqe h LYS 63 N 0.16 0.57 0.01 6.66 3.64 0.14 -1.87 116.57 125.88 2pqe h LYS 63 Ca -0.03 -0.39 -0.22 0.00 -1.27 0.00 0.00 60.65 58.75 2pqe h LYS 63 Cb 1.32 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2pqe h LYS 63 CO 0.12 1.00 -0.94 1.57 -2.27 0.00 0.00 179.45 178.93 2pqe h LYS 64 N 0.22 0.29 -0.10 1.90 5.09 0.37 -2.36 116.57 121.99 2pqe h LYS 64 Ca -0.00 -0.33 -0.15 0.00 0.09 0.00 0.00 60.65 60.25 2pqe h LYS 64 Cb 1.01 0.10 -0.01 0.00 0.10 0.00 0.00 32.23 33.43 2pqe h LYS 64 CO 0.09 1.04 -0.61 1.98 -2.09 0.00 0.00 179.45 179.86 2pqe h MET 65 N 0.16 0.33 0.19 0.07 4.05 -1.29 0.67 114.93 119.12 2pqe h MET 65 Ca -0.07 -0.23 -0.32 0.00 -0.28 0.00 0.00 59.70 58.80 2pqe h MET 65 Cb 1.58 0.03 0.03 0.00 -0.80 0.00 0.00 31.60 32.45 2pqe h MET 65 CO 0.15 0.84 -1.37 -0.39 0.23 0.00 0.00 176.91 176.38 2pqe h VAL 66 N 0.25 1.29 0.07 -5.77 -1.51 -1.38 -1.70 116.25 107.51 2pqe h VAL 66 Ca -0.01 -2.61 -0.25 0.00 -1.23 0.00 0.00 66.70 62.60 2pqe h VAL 66 Cb 1.13 2.88 0.00 0.00 -2.13 0.00 0.00 31.29 33.17 2pqe h VAL 66 CO 0.10 0.79 -1.11 1.05 -1.23 0.00 0.00 177.57 177.17 2pqe h GLU 67 N 0.20 0.29 0.00 5.19 -0.00 -1.46 -3.27 114.58 115.53 2pqe h GLU 67 Ca -0.22 -0.41 -0.15 0.00 -0.00 0.00 0.00 59.36 58.57 2pqe h GLU 67 Cb 2.05 0.14 -0.02 0.00 -0.00 0.00 0.00 28.75 30.92 2pqe h GLU 67 CO 0.26 1.15 -0.73 -0.97 -0.00 0.00 0.00 179.01 178.72 2pqe h ASN 68 N 0.12 0.00 -0.92 3.06 -1.24 -0.97 -3.27 115.58 112.35 2pqe h ASN 68 Ca -0.10 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.90 2pqe h ASN 68 Cb 1.80 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.80 2pqe h ASN 68 CO 0.18 0.73 0.56 0.00 -1.29 0.00 0.00 177.43 177.61 2pqe h ALA 69 N 1.27 1.17 0.00 1.57 0.00 -1.36 -3.46 119.26 118.46 2pqe h ALA 69 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pqe h ALA 69 Cb 1.53 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2pqe h ALA 69 CO 0.09 0.62 0.00 1.63 0.00 0.00 0.00 179.25 181.60 2pqe n LYS 70 N -4.38 0.00 -4.10 0.00 4.76 -1.24 -4.67 118.16 108.52 2pqe n LYS 70 Ca 0.10 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.28 2pqe n LYS 70 Cb 0.05 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.07 2pqe n LYS 70 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2pqe s LYS 71 N 0.00 1.62 -0.06 1.97 2.20 -1.26 -4.91 119.74 119.30 2pqe s LYS 71 Ca 0.00 -0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.34 2pqe s LYS 71 Cb 0.00 -1.57 -0.01 0.00 -1.51 0.00 0.00 37.83 34.75 2pqe s LYS 71 CO 0.00 -0.18 -0.22 0.42 -0.36 0.00 0.00 175.35 175.01 2pqe s ILE 72 N 1.39 1.84 0.00 5.43 1.09 -1.26 0.84 121.20 130.54 2pqe s ILE 72 Ca -0.01 -0.94 0.05 0.00 -1.10 0.00 0.00 60.65 58.65 2pqe s ILE 72 Cb -0.13 -1.57 -0.01 0.00 -1.06 0.00 0.00 42.46 39.68 2pqe s ILE 72 CO -0.05 0.52 -0.14 -1.61 -0.10 0.00 0.00 174.94 173.55 2pqe s GLU 73 N -0.02 1.09 0.10 2.79 2.02 0.24 -2.39 118.70 122.54 2pqe s GLU 73 Ca -0.06 -0.59 0.09 0.00 0.02 0.00 0.00 54.97 54.44 2pqe s GLU 73 Cb -0.14 -1.07 -0.04 0.00 0.10 0.00 0.00 34.13 32.98 2pqe s GLU 73 CO 0.04 0.29 -0.24 0.14 0.02 0.00 0.00 175.26 175.51 2pqe s VAL 74 N -0.48 1.96 -0.17 2.63 -7.23 -0.99 0.11 120.40 116.22 2pqe s VAL 74 Ca 0.04 -1.58 -0.00 0.00 -1.81 0.00 0.00 61.98 58.63 2pqe s VAL 74 Cb -0.06 -1.74 0.04 0.00 0.56 0.00 0.00 36.38 35.18 2pqe s VAL 74 CO 0.00 0.06 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.07 2pqe s GLU 75 N -1.84 1.68 -0.27 4.82 2.12 -0.67 -0.81 118.70 123.73 2pqe s GLU 75 Ca 0.10 -0.58 -0.20 0.00 0.36 0.00 0.00 54.97 54.65 2pqe s GLU 75 Cb -0.10 -2.08 -0.02 0.00 0.26 0.00 0.00 34.13 32.19 2pqe s GLU 75 CO 0.04 -0.40 0.63 -0.06 -0.54 0.00 0.00 175.26 174.94 2pqe s PHE 76 N 1.56 3.26 0.00 5.30 0.08 -1.26 -2.31 117.98 124.61 2pqe s PHE 76 Ca 0.01 0.76 0.00 0.00 0.12 0.00 0.00 56.93 57.82 2pqe s PHE 76 Cb -0.15 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.41 2pqe s PHE 76 CO -0.08 -0.37 0.00 -3.47 -0.10 0.00 0.00 175.22 171.20 2pqe n ASP 77 N 5.77 0.00 0.24 1.36 -0.08 -1.26 -4.95 116.55 117.62 2pqe n ASP 77 Ca -0.01 -0.50 0.07 0.00 -1.51 0.00 0.00 54.79 52.84 2pqe n ASP 77 Cb 0.49 0.00 0.57 0.00 2.34 0.00 0.00 41.12 44.52 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 -6.71 -0.67 6.56 -1.94 -3.44 116.57 110.36 2pqe h LYS 78 Ca 0.00 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.03 2pqe h LYS 78 Cb 0.00 0.00 0.18 0.00 -0.57 0.00 0.00 32.23 31.84 2pqe h LYS 78 CO 0.00 0.14 -0.27 0.41 -2.06 0.00 0.00 179.45 177.68 2pqe n GLY 79 N -1.05 -1.24 3.69 3.86 0.00 -0.37 -4.55 105.19 105.53 2pqe n GLY 79 Ca -0.02 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 2pqe n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqe n GLN 80 N -0.91 2.12 0.24 1.61 0.00 -1.26 -4.83 117.38 114.34 2pqe n GLN 80 Ca 0.11 0.75 0.07 0.00 0.00 0.00 0.00 57.00 57.93 2pqe n GLN 80 Cb 0.49 -2.38 0.61 0.00 0.00 0.00 0.00 30.24 28.96 2pqe n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2pqe h ARG 81 N 3.60 0.04 -2.88 2.61 3.08 -1.89 -3.39 114.38 115.55 2pqe h ARG 81 Ca -0.45 -0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.21 2pqe h ARG 81 Cb 1.27 -0.01 -0.38 0.00 0.08 0.00 0.00 29.97 30.93 2pqe h ARG 81 CO 0.71 0.05 -0.69 0.95 -1.07 0.00 0.00 179.97 179.92 2pqe s THR 82 N -5.04 -0.20 -1.16 2.04 -4.23 -1.23 -0.56 115.64 105.26 2pqe s THR 82 Ca -0.05 -0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 60.31 2pqe s THR 82 Cb 0.17 -0.56 -0.07 0.00 1.34 0.00 0.00 72.50 73.39 2pqe s THR 82 CO 0.68 -0.18 2.35 -0.90 -0.54 0.00 0.00 174.62 176.03 2pqe n ASP 83 N 5.30 5.68 -2.33 3.99 5.68 -1.26 -4.46 116.55 129.15 2pqe n ASP 83 Ca -0.06 -2.49 -0.08 0.00 -0.50 0.00 0.00 54.79 51.67 2pqe n ASP 83 Cb 0.49 -1.29 -0.01 0.00 -1.14 0.00 0.00 41.12 39.18 2pqe n ASP 83 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2pqe n LYS 84 N 4.55 -2.38 -0.18 0.11 4.76 -1.26 -4.73 118.16 119.04 2pqe n LYS 84 Ca 0.56 0.38 0.03 0.00 -2.87 0.00 0.00 58.31 56.41 2pqe n LYS 84 Cb 0.22 -4.89 0.04 0.00 -1.84 0.00 0.00 35.03 28.56 2pqe n LYS 84 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2pqe n TYR 85 N -2.88 0.00 -1.51 2.13 4.01 -1.26 -4.98 117.16 112.67 2pqe n TYR 85 Ca -0.09 -0.39 -0.17 0.00 -0.16 0.00 0.00 57.90 57.09 2pqe n TYR 85 Cb 0.53 -0.07 -0.07 0.00 -0.31 0.00 0.00 39.34 39.42 2pqe n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pqe n GLY 86 N -0.51 1.63 3.94 2.72 0.00 -1.26 -4.95 105.19 106.76 2pqe n GLY 86 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 2pqe n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pqe s ARG 87 N -3.48 2.81 -0.94 1.61 0.52 -1.26 -4.63 118.95 113.57 2pqe s ARG 87 Ca 0.00 -1.27 -0.04 0.00 -0.52 0.00 0.00 55.73 53.90 2pqe s ARG 87 Cb 0.00 -2.62 0.23 0.00 0.52 0.00 0.00 34.95 33.08 2pqe s ARG 87 CO 0.00 -0.10 0.86 0.20 0.02 0.00 0.00 175.30 176.28 2pqe s GLY 88 N -4.18 3.08 -0.04 -3.53 0.00 0.17 -3.57 107.32 99.25 2pqe s GLY 88 Ca 0.48 -3.80 -0.33 0.00 0.00 0.00 0.00 44.72 41.07 2pqe s GLY 88 CO 0.30 1.23 1.90 1.04 0.00 0.00 0.00 173.10 177.56 2pqe n LEU 89 N 2.54 3.66 0.00 0.66 4.77 0.28 -2.27 117.00 126.64 2pqe n LEU 89 Ca 0.21 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 2pqe n LEU 89 Cb 0.38 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 2pqe n LEU 89 CO 0.39 0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.47 2pqe n ALA 90 N 6.72 0.00 -2.05 -1.18 0.00 -0.46 -4.66 120.51 118.88 2pqe n ALA 90 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.26 2pqe n ALA 90 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 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 3.88 -0.11 0.00 2.02 -0.98 -2.49 117.35 117.68 2pqe s TYR 91 Ca 0.00 1.56 -0.06 0.00 -0.37 0.00 0.00 57.07 58.20 2pqe s TYR 91 Cb 0.00 -2.72 -0.04 0.00 -0.40 0.00 0.00 41.96 38.80 2pqe s TYR 91 CO 0.00 0.52 0.11 0.42 -1.57 0.00 0.00 175.55 175.04 2pqe s ILE 92 N -1.10 5.27 -0.07 2.71 -1.09 -1.26 -1.67 121.20 123.98 2pqe s ILE 92 Ca 0.34 0.10 0.01 0.00 -2.23 0.00 0.00 60.65 58.88 2pqe s ILE 92 Cb -0.22 -3.29 0.02 0.00 -1.58 0.00 0.00 42.46 37.39 2pqe s ILE 92 CO 0.25 0.61 -0.07 -0.31 -1.23 0.00 0.00 174.94 174.18 2pqe s TYR 93 N -1.01 1.12 -0.24 3.97 1.51 0.29 -1.94 117.35 121.05 2pqe s TYR 93 Ca 0.15 -0.43 -0.07 0.00 -1.01 0.00 0.00 57.07 55.71 2pqe s TYR 93 Cb -0.12 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 2pqe s TYR 93 CO 0.04 -0.31 0.06 0.00 -1.11 0.00 0.00 175.55 174.23 2pqe s ALA 94 N 1.17 3.18 -1.73 3.71 0.00 0.27 0.82 121.76 129.18 2pqe s ALA 94 Ca -0.06 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 50.68 2pqe s ALA 94 Cb -0.14 -2.04 0.14 0.00 0.00 0.00 0.00 23.12 21.07 2pqe s ALA 94 CO -0.02 -0.39 0.39 -3.47 0.00 0.00 0.00 175.76 172.27 2pqe n ASP 95 N 4.73 -0.88 0.00 0.00 -0.08 0.25 0.15 116.55 120.71 2pqe n ASP 95 Ca -0.16 -1.23 0.00 0.00 -1.51 0.00 0.00 54.79 51.89 2pqe n ASP 95 Cb 0.52 -1.76 0.00 0.00 2.34 0.00 0.00 41.12 42.22 2pqe n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pqe n GLY 96 N -1.68 0.43 3.31 0.27 0.00 -1.26 -5.04 105.19 101.22 2pqe n GLY 96 Ca -0.06 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.45 2.34 -0.28 1.61 2.47 0.40 -5.10 119.74 119.72 2pqe s LYS 97 Ca 0.00 -0.89 -0.29 0.00 -1.56 0.00 0.00 55.97 53.23 2pqe s LYS 97 Cb 0.00 -2.13 0.01 0.00 -1.46 0.00 0.00 37.83 34.25 2pqe s LYS 97 CO 0.00 0.49 1.06 1.41 0.16 0.00 0.00 175.35 178.47 2pqe s MET 98 N -0.44 4.14 0.13 4.03 1.75 -1.26 0.95 119.30 128.60 2pqe s MET 98 Ca 0.05 1.18 -0.10 0.00 -1.25 0.00 0.00 55.69 55.57 2pqe s MET 98 Cb -0.12 -3.70 -0.09 0.00 2.84 0.00 0.00 34.83 33.77 2pqe s MET 98 CO 0.01 -0.79 1.36 0.28 -0.65 0.00 0.00 175.02 175.22 2pqe h VAL 99 N 5.62 1.30 0.00 10.11 2.07 -1.77 -1.19 116.25 132.39 2pqe h VAL 99 Ca -0.20 -1.96 -0.00 0.00 0.82 0.00 0.00 66.70 65.36 2pqe h VAL 99 Cb 1.06 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2pqe h VAL 99 CO 1.01 0.62 -0.00 -0.55 0.02 0.00 0.00 177.57 178.67 2pqe h ASN 100 N 0.50 -0.00 -0.35 0.57 -1.07 -1.92 -1.15 115.58 112.15 2pqe h ASN 100 Ca -0.04 -0.32 -0.05 0.00 0.07 0.00 0.00 56.30 55.96 2pqe h ASN 100 Cb 1.34 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.58 2pqe h ASN 100 CO 0.15 0.32 0.02 -0.33 0.07 0.00 0.00 177.43 177.66 2pqe h GLU 101 N -0.33 0.61 -0.76 4.14 4.39 -1.93 -1.43 114.58 119.27 2pqe h GLU 101 Ca -0.00 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.53 2pqe h GLU 101 Cb 0.33 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 2pqe h GLU 101 CO 0.00 0.71 0.50 0.00 -1.16 0.00 0.00 179.01 179.06 2pqe h ALA 102 N 0.88 1.48 0.15 3.43 0.00 -1.23 0.81 119.26 124.78 2pqe h ALA 102 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pqe h ALA 102 Cb 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2pqe h ALA 102 CO 0.01 0.48 -0.07 -0.07 0.00 0.00 0.00 179.25 179.60 2pqe h LEU 103 N 1.01 -0.17 -0.71 0.00 3.38 -1.01 -1.28 115.31 116.53 2pqe h LEU 103 Ca 0.28 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2pqe h LEU 103 Cb -0.09 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2pqe h LEU 103 CO -0.07 0.30 0.08 0.58 0.09 0.00 0.00 178.44 179.43 2pqe h VAL 104 N -0.69 1.26 0.00 1.22 2.07 -1.07 1.08 116.25 120.11 2pqe h VAL 104 Ca -0.02 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 2pqe h VAL 104 Cb 0.50 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2pqe h VAL 104 CO 0.03 0.39 -0.21 -0.09 0.02 0.00 0.00 177.57 177.72 2pqe h ARG 105 N 0.99 0.00 0.00 1.57 2.43 0.61 -2.82 114.38 117.17 2pqe h ARG 105 Ca 0.19 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.10 2pqe h ARG 105 Cb 0.46 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 2pqe h ARG 105 CO 0.02 0.21 -1.91 1.04 -1.51 0.00 0.00 179.97 177.81 2pqe n GLN 106 N -3.75 0.65 0.00 0.20 1.13 -0.49 -4.79 117.38 110.34 2pqe n GLN 106 Ca -0.02 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 2pqe n GLN 106 Cb 0.32 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 28.99 2pqe n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pqe n GLY 107 N 1.56 0.86 0.00 1.08 0.00 0.29 -4.04 105.19 104.95 2pqe n GLY 107 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -4.28 0.99 7.99 0.29 -0.80 117.00 121.19 2pqe n LEU 108 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 56.01 55.79 2pqe n LEU 108 Cb 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.19 2pqe n LEU 108 CO 0.00 0.00 -0.48 0.00 -1.51 0.00 0.00 177.39 175.40 2pqe s ALA 109 N -1.73 1.73 0.49 -1.18 0.00 -1.17 -4.10 121.76 115.81 2pqe s ALA 109 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.65 2pqe s ALA 109 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2pqe s ALA 109 CO 0.00 0.23 0.06 -1.59 0.00 0.00 0.00 175.76 174.45 2pqe s LYS 110 N -2.42 2.15 -0.26 0.00 0.00 0.29 -3.89 119.74 115.62 2pqe s LYS 110 Ca 0.10 -2.38 -0.29 0.00 0.00 0.00 0.00 55.97 53.40 2pqe s LYS 110 Cb -0.07 -1.15 0.01 0.00 0.00 0.00 0.00 37.83 36.62 2pqe s LYS 110 CO 0.05 -0.47 1.04 0.08 0.00 0.00 0.00 175.35 176.05 2pqe s VAL 111 N -3.00 4.64 0.00 1.79 1.01 -1.26 0.19 120.40 123.76 2pqe s VAL 111 Ca 0.08 1.92 0.00 0.00 0.00 0.00 0.00 61.98 63.98 2pqe s VAL 111 Cb 0.00 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 32.05 2pqe s VAL 111 CO 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 175.10 174.90 2pqe n ALA 112 N 6.46 0.00 -3.46 5.51 0.00 -0.86 -4.77 120.51 123.39 2pqe n ALA 112 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.31 2pqe n ALA 112 Cb 0.46 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.75 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 1.23 1.47 -2.74 0.00 2.02 -1.26 -4.66 117.35 113.41 2pqe s TYR 113 Ca 0.00 -0.54 0.26 0.00 -0.37 0.00 0.00 57.07 56.41 2pqe s TYR 113 Cb 0.00 -1.08 0.61 0.00 -0.40 0.00 0.00 41.96 41.09 2pqe s TYR 113 CO 0.00 -0.28 1.49 1.55 -1.57 0.00 0.00 175.55 176.74 2pqe n VAL 114 N 3.82 0.02 0.00 0.71 3.14 -1.26 -4.78 118.33 119.98 2pqe n VAL 114 Ca -0.23 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.76 2pqe n VAL 114 Cb 0.52 1.00 0.00 0.00 -1.06 0.00 0.00 33.84 34.30 2pqe n VAL 114 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2pqe n TYR 115 N 0.79 0.00 -3.60 1.45 4.01 -1.26 -4.71 117.16 113.84 2pqe n TYR 115 Ca 0.16 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.86 2pqe n TYR 115 Cb 0.48 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.48 2pqe n TYR 115 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2pqe s LYS 116 N 0.00 0.30 0.00 -0.72 -2.85 -1.26 -5.01 119.74 110.20 2pqe s LYS 116 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 55.97 54.93 2pqe s LYS 116 Cb 0.00 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.91 2pqe s LYS 116 CO 0.00 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 175.74 2pqe n GLY 117 N 0.22 3.10 0.00 0.59 0.00 -1.26 -4.24 105.19 103.60 2pqe n GLY 117 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2pqe n GLY 117 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pqe n ASN 118 N 0.82 0.00 -0.80 1.61 2.85 -1.26 -1.24 115.26 117.23 2pqe n ASN 118 Ca 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.44 2pqe n ASN 118 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 2pqe n ASN 118 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2pqe n ASN 119 N 0.00 -2.42 -0.07 1.20 2.85 -1.26 -4.82 115.26 110.75 2pqe n ASN 119 Ca 0.00 -0.06 -0.18 0.00 -0.11 0.00 0.00 54.58 54.24 2pqe n ASN 119 Cb 0.00 -1.02 -0.13 0.00 1.24 0.00 0.00 39.78 39.86 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 -2.91 1.59 -0.93 -0.44 -1.04 -1.26 -4.37 114.28 104.93 2pqe n THR 120 Ca -0.00 -0.65 0.08 0.00 -2.04 0.00 0.00 64.05 61.44 2pqe n THR 120 Cb 0.51 -1.40 0.27 0.00 -1.82 0.00 0.00 70.33 67.89 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 -3.27 1.03 -0.34 -1.42 8.25 -1.26 -4.67 115.22 113.54 2pqe n HIS 121 Ca -0.37 -0.83 0.32 0.00 -0.26 0.00 0.00 57.72 56.57 2pqe n HIS 121 Cb 1.03 -0.31 0.66 0.00 1.12 0.00 0.00 29.99 32.49 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 2.07 0.13 -0.03 -0.41 4.57 -1.98 0.63 114.58 119.57 2pqe h GLU 122 Ca 0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2pqe h GLU 122 Cb 1.45 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.01 2pqe h GLU 122 CO 0.24 0.09 0.01 -0.56 -1.18 0.00 0.00 179.01 177.61 2pqe h GLN 123 N 0.14 0.04 -0.31 1.92 3.07 -1.92 -1.87 115.11 116.18 2pqe h GLN 123 Ca 0.60 -0.00 0.06 0.00 0.09 0.00 0.00 58.65 59.40 2pqe h GLN 123 Cb 2.06 -0.01 -0.06 0.00 0.08 0.00 0.00 27.48 29.56 2pqe h GLN 123 CO -0.13 0.13 -0.08 -0.07 0.09 0.00 0.00 178.83 178.76 2pqe h LEU 124 N -0.06 -0.30 -2.07 0.06 3.38 -1.24 0.78 115.31 115.85 2pqe h LEU 124 Ca 0.01 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2pqe h LEU 124 Cb 0.10 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2pqe h LEU 124 CO -0.00 -0.11 -0.06 -0.07 0.09 0.00 0.00 178.44 178.30 2pqe h LEU 125 N -0.01 0.00 -0.08 1.67 4.07 -1.43 -2.08 115.31 117.45 2pqe h LEU 125 Ca 0.15 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.88 2pqe h LEU 125 Cb 0.23 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.99 2pqe h LEU 125 CO -0.32 0.06 -0.86 0.03 -1.08 0.00 0.00 178.44 176.27 2pqe h ARG 126 N 0.00 0.72 -0.20 1.13 3.08 -0.08 -2.09 114.38 116.94 2pqe h ARG 126 Ca -0.00 -0.67 0.02 0.00 0.07 0.00 0.00 59.98 59.40 2pqe h ARG 126 Cb 0.12 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2pqe h ARG 126 CO 0.01 1.27 0.07 0.87 -1.07 0.00 0.00 179.97 181.12 2pqe h LYS 127 N 0.42 0.17 -0.32 0.04 1.79 -0.32 0.61 116.57 118.95 2pqe h LYS 127 Ca -0.08 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.27 2pqe h LYS 127 Cb 1.50 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.10 2pqe h LYS 127 CO 0.17 0.11 -0.26 0.66 -1.08 0.00 0.00 179.45 179.06 2pqe h SER 128 N 0.17 0.65 -0.19 0.86 4.64 -1.56 -2.33 113.55 115.79 2pqe h SER 128 Ca 0.09 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 61.09 2pqe h SER 128 Cb 0.05 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2pqe h SER 128 CO -0.09 0.88 -0.19 -0.08 -0.87 0.00 0.00 176.83 176.48 2pqe h GLU 129 N 0.55 0.47 -0.69 4.77 4.81 -0.90 -2.65 114.58 120.94 2pqe h GLU 129 Ca 0.08 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2pqe h GLU 129 Cb 0.73 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 2pqe h GLU 129 CO 0.06 0.82 0.45 0.00 -0.73 0.00 0.00 179.01 179.61 2pqe h ALA 130 N 0.64 0.89 -0.45 2.92 0.00 0.27 0.18 119.26 123.70 2pqe h ALA 130 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pqe h ALA 130 Cb 0.74 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2pqe h ALA 130 CO 0.05 0.26 0.27 1.96 0.00 0.00 0.00 179.25 181.79 2pqe h GLN 131 N 0.90 0.62 0.00 0.00 1.08 -1.41 0.32 115.11 116.61 2pqe h GLN 131 Ca 0.26 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.32 2pqe h GLN 131 Cb -0.05 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.24 2pqe h GLN 131 CO -0.08 0.45 -0.44 0.00 -0.95 0.00 0.00 178.83 177.81 2pqe h ALA 132 N 1.13 1.06 0.01 3.87 0.00 -1.09 -2.49 119.26 121.75 2pqe h ALA 132 Ca 0.16 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2pqe h ALA 132 Cb -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2pqe h ALA 132 CO -0.03 0.55 -0.01 -0.22 0.00 0.00 0.00 179.25 179.55 2pqe h LYS 133 N 0.00 -0.02 -0.71 0.00 3.11 -0.10 0.47 116.57 119.32 2pqe h LYS 133 Ca -0.00 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.87 2pqe h LYS 133 Cb 0.90 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.09 2pqe h LYS 133 CO 0.06 0.78 0.44 1.57 -2.81 0.00 0.00 179.45 179.49 2pqe h LYS 134 N -0.90 0.83 0.00 1.90 2.10 -0.43 -2.44 116.57 117.62 2pqe h LYS 134 Ca -0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2pqe h LYS 134 Cb 0.81 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2pqe h LYS 134 CO 0.00 0.55 -0.83 0.39 -2.00 0.00 0.00 179.45 177.56 2pqe n GLU 135 N -4.67 0.38 -2.98 0.07 -0.58 -0.94 -5.01 120.64 106.91 2pqe n GLU 135 Ca 0.08 0.07 -0.01 0.00 -0.42 0.00 0.00 57.16 56.89 2pqe n GLU 135 Cb 0.10 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 2pqe n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2pqe n LYS 136 N -2.24 -1.29 0.00 3.49 4.76 0.14 -5.00 118.16 118.03 2pqe n LYS 136 Ca 0.02 1.41 0.00 0.00 -2.87 0.00 0.00 58.31 56.87 2pqe n LYS 136 Cb 0.47 -5.53 0.00 0.00 -1.84 0.00 0.00 35.03 28.13 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 -1.80 0.79 0.00 -0.35 4.77 0.03 -4.62 117.00 115.83 2pqe n LEU 137 Ca -0.00 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2pqe n LEU 137 Cb 0.51 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2pqe n LEU 137 CO 0.50 -0.13 0.00 0.59 -1.33 0.00 0.00 177.39 177.03 2pqe n ASN 138 N -0.88 0.00 -0.31 -1.43 3.02 -1.26 -4.79 115.26 109.61 2pqe n ASN 138 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.69 2pqe n ASN 138 Cb 0.00 0.00 0.37 0.00 -0.61 0.00 0.00 39.78 39.54 2pqe n ASN 138 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 2pqe h ILE 139 N 0.00 0.75 -0.89 2.41 3.07 -1.28 -1.01 117.51 120.56 2pqe h ILE 139 Ca 0.00 -0.23 -0.49 0.00 1.55 0.00 0.00 64.86 65.69 2pqe h ILE 139 Cb 0.00 0.01 -0.19 0.00 -0.27 0.00 0.00 36.82 36.36 2pqe h ILE 139 CO 0.00 0.12 0.57 0.79 -1.05 0.00 0.00 178.15 178.58 2pqe n TRP 140 N -4.64 2.04 -1.84 0.16 5.03 -1.26 -4.33 117.44 112.60 2pqe n TRP 140 Ca 0.21 -2.22 -0.05 0.00 3.03 0.00 0.00 57.50 58.47 2pqe n TRP 140 Cb 0.56 -1.20 0.13 0.00 -1.03 0.00 0.00 31.31 29.77 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 0.15 2.81 -1.02 -0.99 2.88 -0.39 -4.06 113.62 113.00 2pqe n SER 141 Ca 0.44 -3.68 -0.06 0.00 -1.33 0.00 0.00 58.87 54.24 2pqe n SER 141 Cb 0.56 -0.45 -0.06 0.00 -0.75 0.00 0.00 64.21 63.51 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 -0.87 0.04 0.00 -1.46 0.28 -1.26 -5.03 120.64 112.34 2pqe n GLU 142 Ca 0.27 -0.95 0.00 0.00 -0.16 0.00 0.00 57.16 56.32 2pqe n GLU 142 Cb 0.82 0.50 0.00 0.00 1.43 0.00 0.00 31.44 34.19 2pqe n GLU 142 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2pqe n ASP 143 N -0.04 0.00 -3.62 -1.84 9.92 -1.26 -5.16 116.55 114.55 2pqe n ASP 143 Ca -0.26 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 53.97 2pqe n ASP 143 Cb 0.68 -0.05 -0.02 0.00 -0.64 0.00 0.00 41.12 41.09 2pqe n ASP 143 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2pqe s ASN 144 N -1.08 -0.07 0.01 -2.24 3.04 -1.26 -5.09 114.94 108.25 2pqe s ASN 144 Ca 0.00 -0.01 0.00 0.00 0.04 0.00 0.00 52.86 52.89 2pqe s ASN 144 Cb 0.00 0.08 0.00 0.00 -1.54 0.00 0.00 41.25 39.79 2pqe s ASN 144 CO 0.00 -0.14 0.00 0.00 -3.04 0.00 0.00 177.10 173.92 2pqe n ALA 145 N -0.09 0.00 -2.81 1.71 0.00 -1.26 -5.01 120.51 113.04 2pqe n ALA 145 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 2pqe n ALA 145 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 2pqe n ALA 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pqe s ASP 146 N -2.00 5.44 -0.12 0.00 1.01 -1.26 -4.99 116.67 114.75 2pqe s ASP 146 Ca 0.00 0.10 0.12 0.00 0.71 0.00 0.00 52.55 53.48 2pqe s ASP 146 Cb 0.00 -1.80 -0.24 0.00 1.01 0.00 0.00 42.92 41.89 2pqe s ASP 146 CO 0.00 0.26 0.37 -0.24 0.21 0.00 0.00 175.17 175.77 2pqe n SER 147 N 2.98 0.73 -0.02 0.27 2.88 -1.26 -4.65 113.62 114.56 2pqe n SER 147 Ca -0.18 0.22 -0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2pqe n SER 147 Cb 0.53 0.23 -0.00 0.00 -0.75 0.00 0.00 64.21 64.22 2pqe n SER 147 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2pqe h GLY 148 N 3.39 0.00 0.00 0.46 0.00 -2.08 -3.56 103.07 101.27 2pqe h GLY 148 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2pqe h GLY 148 CO 0.05 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.20