#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 -1.04 -0.01 0.00 -1.04 -1.26 -4.88 114.28 106.06 2pqe n THR 2 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 2pqe n THR 2 Cb 0.00 -3.01 -0.14 0.00 -1.82 0.00 0.00 70.33 65.36 2pqe n THR 2 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2pqe n SER 3 N -2.02 1.83 -4.38 8.00 3.41 -1.26 -4.61 113.62 114.59 2pqe n SER 3 Ca -0.24 0.24 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 2pqe n SER 3 Cb 0.69 -0.66 -0.01 0.00 -0.26 0.00 0.00 64.21 63.97 2pqe n SER 3 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2pqe s THR 4 N -2.57 5.50 0.41 6.66 2.01 -1.26 -4.83 115.64 121.56 2pqe s THR 4 Ca -0.19 -2.76 0.39 0.00 0.31 0.00 0.00 61.69 59.43 2pqe s THR 4 Cb 0.07 -4.68 0.41 0.00 0.01 0.00 0.00 72.50 68.31 2pqe s THR 4 CO 0.78 -1.31 2.19 0.11 -0.69 0.00 0.00 174.62 175.70 2pqe h LYS 5 N 7.33 0.00 -4.30 4.92 6.56 -2.01 -3.45 116.57 125.62 2pqe h LYS 5 Ca 0.20 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.66 2pqe h LYS 5 Cb 0.93 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.58 2pqe h LYS 5 CO 1.03 0.01 -0.16 0.36 -2.06 0.00 0.00 179.45 178.63 2pqe n LYS 6 N -3.14 -2.55 -1.24 3.15 0.00 -1.26 -4.78 118.16 108.34 2pqe n LYS 6 Ca -0.01 0.31 -0.25 0.00 -0.00 0.00 0.00 58.31 58.36 2pqe n LYS 6 Cb 0.18 -4.85 0.15 0.00 -0.00 0.00 0.00 35.03 30.51 2pqe n LYS 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2pqe n LEU 7 N -2.62 6.75 -4.67 -5.58 4.77 -1.26 -4.96 117.00 109.43 2pqe n LEU 7 Ca -0.08 -3.82 -0.41 0.00 -0.03 0.00 0.00 56.01 51.67 2pqe n LEU 7 Cb 0.55 -0.85 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 2pqe n LEU 7 CO 0.09 1.20 0.56 -1.38 -1.33 0.00 0.00 177.39 176.52 2pqe s HIS 8 N -3.44 3.41 0.80 -1.77 -3.43 -1.26 -5.04 115.29 104.56 2pqe s HIS 8 Ca 0.58 1.18 -0.11 0.00 -0.80 0.00 0.00 55.06 55.91 2pqe s HIS 8 Cb 0.48 -2.96 0.08 0.00 -1.43 0.00 0.00 32.58 28.74 2pqe s HIS 8 CO 0.07 -0.22 1.11 -1.59 -2.00 0.00 0.00 174.74 172.11 2pqe s LYS 9 N 2.09 1.97 -0.30 -0.38 0.00 -1.26 -4.88 119.74 116.97 2pqe s LYS 9 Ca 0.36 1.31 -0.19 0.00 0.00 0.00 0.00 55.97 57.45 2pqe s LYS 9 Cb -0.16 -1.85 0.19 0.00 0.00 0.00 0.00 37.83 36.01 2pqe s LYS 9 CO 0.12 -1.88 1.27 -2.00 0.00 0.00 0.00 175.35 172.86 2pqe s GLU 10 N -4.74 0.10 0.00 1.78 2.12 0.46 -4.76 118.70 113.67 2pqe s GLU 10 Ca 0.64 0.16 0.00 0.00 0.36 0.00 0.00 54.97 56.12 2pqe s GLU 10 Cb -0.19 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.23 2pqe s GLU 10 CO 0.55 -0.02 0.00 0.00 -0.54 0.00 0.00 175.26 175.25 2pqe n ALA 11 N 2.69 0.55 0.00 6.30 0.00 -1.25 -2.32 120.51 126.48 2pqe n ALA 11 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2pqe n ALA 11 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.55 0.00 -3.21 0.00 0.00 -1.00 -4.25 120.51 109.50 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 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 0.05 -0.33 0.00 2.01 -1.05 -4.08 115.64 112.23 2pqe s THR 13 Ca 0.00 -0.38 -0.14 0.00 0.31 0.00 0.00 61.69 61.48 2pqe s THR 13 Cb 0.00 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 2pqe s THR 13 CO 0.00 -0.21 0.29 -0.22 -0.69 0.00 0.00 174.62 173.79 2pqe s LEU 14 N -0.96 4.40 -0.01 4.42 1.98 -1.26 0.15 118.68 127.39 2pqe s LEU 14 Ca -0.10 -0.25 -0.25 0.00 -2.89 0.00 0.00 54.13 50.64 2pqe s LEU 14 Cb -0.05 -2.24 -0.19 0.00 0.66 0.00 0.00 46.19 44.38 2pqe s LEU 14 CO 0.03 -0.25 1.23 0.40 -1.89 0.00 0.00 176.35 175.87 2pqe h ILE 15 N 5.49 1.13 -1.05 6.68 5.03 -0.96 -3.46 117.51 130.37 2pqe h ILE 15 Ca -0.31 -0.95 0.26 0.00 -0.12 0.00 0.00 64.86 63.73 2pqe h ILE 15 Cb 1.16 1.72 -0.26 0.00 -3.03 0.00 0.00 36.82 36.41 2pqe h ILE 15 CO 0.65 0.23 0.96 -0.75 -0.68 0.00 0.00 178.15 178.56 2pqe s LYS 16 N -4.34 0.05 0.12 2.37 2.20 -1.04 -5.01 119.74 114.09 2pqe s LYS 16 Ca -0.15 0.01 -0.12 0.00 -0.36 0.00 0.00 55.97 55.35 2pqe s LYS 16 Cb 0.02 0.02 -0.06 0.00 -1.51 0.00 0.00 37.83 36.30 2pqe s LYS 16 CO 0.62 -0.02 0.48 0.00 -0.36 0.00 0.00 175.35 176.06 2pqe s ALA 17 N -1.18 3.65 -0.20 3.13 0.00 -1.26 0.30 121.76 126.20 2pqe s ALA 17 Ca 0.09 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.62 2pqe s ALA 17 Cb -0.01 -2.39 -0.08 0.00 0.00 0.00 0.00 23.12 20.65 2pqe s ALA 17 CO -0.07 0.52 -0.34 -0.89 0.00 0.00 0.00 175.76 174.98 2pqe n ILE 18 N 0.75 1.48 -2.87 0.00 5.41 0.43 -4.86 119.36 119.71 2pqe n ILE 18 Ca -0.06 -0.02 -0.12 0.00 1.00 0.00 0.00 62.75 63.55 2pqe n ILE 18 Cb 0.52 -2.17 0.01 0.00 -0.71 0.00 0.00 39.64 37.29 2pqe n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2pqe n ASP 19 N -4.35 0.97 0.00 4.38 8.00 -0.54 -4.97 116.55 120.04 2pqe n ASP 19 Ca -0.26 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 52.40 2pqe n ASP 19 Cb 0.62 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2pqe n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pqe n GLY 20 N 0.06 0.72 0.09 0.44 0.00 -1.26 -3.60 105.19 101.64 2pqe n GLY 20 Ca 0.15 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.22 -3.28 1.61 3.04 -1.90 -3.43 116.42 112.68 2pqe h ASP 21 Ca 0.00 -0.29 -0.69 0.00 -3.24 0.00 0.00 57.03 52.81 2pqe h ASP 21 Cb 0.00 -0.07 -0.18 0.00 -1.04 0.00 0.00 39.33 38.04 2pqe h ASP 21 CO 0.00 1.24 0.01 -0.89 -2.04 0.00 0.00 179.24 177.55 2pqe s THR 22 N -2.64 4.91 0.02 1.15 2.01 -1.24 -1.87 115.64 117.98 2pqe s THR 22 Ca -0.05 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.47 2pqe s THR 22 Cb 0.08 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2pqe s THR 22 CO 0.84 -0.76 -0.09 0.68 -0.69 0.00 0.00 174.62 174.60 2pqe s VAL 23 N 2.53 0.70 -0.54 3.82 -7.23 -0.26 0.16 120.40 119.59 2pqe s VAL 23 Ca 0.14 -0.71 -0.24 0.00 -1.81 0.00 0.00 61.98 59.36 2pqe s VAL 23 Cb -0.19 -0.65 0.04 0.00 0.56 0.00 0.00 36.38 36.13 2pqe s VAL 23 CO 0.12 -0.04 0.91 -0.54 -0.31 0.00 0.00 175.10 175.24 2pqe s LYS 24 N -0.83 3.33 -0.11 4.82 1.02 0.15 0.90 119.74 129.01 2pqe s LYS 24 Ca -0.01 -0.28 -0.02 0.00 0.02 0.00 0.00 55.97 55.68 2pqe s LYS 24 Cb -0.06 -4.05 -0.03 0.00 -0.52 0.00 0.00 37.83 33.17 2pqe s LYS 24 CO 0.00 -1.44 -0.02 -1.17 -0.92 0.00 0.00 175.35 171.80 2pqe s LEU 25 N 3.82 3.40 -0.67 3.17 0.20 0.46 -0.25 118.68 128.82 2pqe s LEU 25 Ca 0.30 0.02 -0.24 0.00 0.69 0.00 0.00 54.13 54.90 2pqe s LEU 25 Cb -0.13 -1.79 0.05 0.00 -0.43 0.00 0.00 46.19 43.90 2pqe s LEU 25 CO 0.19 0.30 1.05 -0.32 -0.29 0.00 0.00 176.35 177.28 2pqe s MET 26 N -0.40 3.17 -0.05 1.98 -2.45 0.39 -0.54 119.30 121.40 2pqe s MET 26 Ca 0.07 -0.57 -0.00 0.00 -1.25 0.00 0.00 55.69 53.94 2pqe s MET 26 Cb -0.12 -4.19 -0.03 0.00 1.25 0.00 0.00 34.83 31.74 2pqe s MET 26 CO 0.02 -1.86 -0.01 -0.47 1.05 0.00 0.00 175.02 173.74 2pqe s TYR 27 N 4.53 3.08 -0.41 4.11 6.14 0.31 -2.53 117.35 132.57 2pqe s TYR 27 Ca 0.27 0.12 0.00 0.00 0.64 0.00 0.00 57.07 58.10 2pqe s TYR 27 Cb -0.14 -1.73 0.00 0.00 0.42 0.00 0.00 41.96 40.51 2pqe s TYR 27 CO 0.13 0.44 0.00 0.36 0.64 0.00 0.00 175.55 177.12 2pqe n LYS 28 N 1.89 -2.38 -0.54 4.97 -0.00 -1.26 0.12 118.16 120.96 2pqe n LYS 28 Ca -0.17 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2pqe n LYS 28 Cb 0.53 -4.68 0.00 0.00 -0.00 0.00 0.00 35.03 30.89 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 -0.50 0.68 2.86 2.58 0.00 -1.26 -5.07 105.19 104.48 2pqe n GLY 29 Ca -0.05 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.93 0.36 -0.75 1.61 -2.07 0.33 -5.10 119.66 113.12 2pqe s GLN 30 Ca 0.00 -0.01 -0.24 0.00 -1.82 0.00 0.00 55.36 53.28 2pqe s GLN 30 Cb 0.00 -0.46 0.05 0.00 -1.09 0.00 0.00 33.01 31.51 2pqe s GLN 30 CO 0.00 -0.06 1.17 0.00 -1.32 0.00 0.00 175.29 175.08 2pqe s ALA 31 N 0.65 2.92 0.15 2.60 0.00 -1.26 0.11 121.76 126.93 2pqe s ALA 31 Ca -0.07 -1.72 0.06 0.00 0.00 0.00 0.00 51.96 50.23 2pqe s ALA 31 Cb -0.10 -4.12 -0.04 0.00 0.00 0.00 0.00 23.12 18.86 2pqe s ALA 31 CO -0.01 -3.11 0.03 0.00 0.00 0.00 0.00 175.76 172.67 2pqe s MET 32 N 4.85 2.56 -0.40 0.00 0.00 0.30 -4.85 119.30 121.75 2pqe s MET 32 Ca 0.31 -0.97 -0.29 0.00 0.00 0.00 0.00 55.69 54.74 2pqe s MET 32 Cb -0.10 -2.48 0.02 0.00 0.00 0.00 0.00 34.83 32.27 2pqe s MET 32 CO 0.09 0.49 1.13 0.99 0.00 0.00 0.00 175.02 177.72 2pqe s THR 33 N -1.61 4.32 0.15 3.16 2.01 -1.26 -0.40 115.64 122.00 2pqe s THR 33 Ca 0.28 1.43 -0.04 0.00 0.31 0.00 0.00 61.69 63.67 2pqe s THR 33 Cb -0.10 -4.49 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 2pqe s THR 33 CO 0.20 -0.76 0.37 -0.36 -0.69 0.00 0.00 174.62 173.38 2pqe s PHE 34 N 4.16 3.48 -0.07 4.92 0.40 0.26 0.10 117.98 131.22 2pqe s PHE 34 Ca 0.48 0.52 -0.01 0.00 -0.60 0.00 0.00 56.93 57.31 2pqe s PHE 34 Cb -0.10 -1.98 0.03 0.00 0.51 0.00 0.00 43.02 41.48 2pqe s PHE 34 CO 0.25 0.43 0.00 1.03 0.70 0.00 0.00 175.22 177.63 2pqe s ARG 35 N -2.73 0.59 -0.16 0.44 1.81 -0.80 -1.10 118.95 117.00 2pqe s ARG 35 Ca 0.40 0.11 -0.33 0.00 -1.72 0.00 0.00 55.73 54.20 2pqe s ARG 35 Cb -0.12 -0.94 -0.10 0.00 -0.45 0.00 0.00 34.95 33.34 2pqe s ARG 35 CO 0.25 -0.29 2.04 1.28 -0.68 0.00 0.00 175.30 177.90 2pqe n LEU 36 N 5.09 3.21 -4.75 2.53 4.77 -0.78 -1.05 117.00 126.02 2pqe n LEU 36 Ca -0.08 0.66 -0.40 0.00 -0.03 0.00 0.00 56.01 56.16 2pqe n LEU 36 Cb 0.50 -1.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.13 2pqe n LEU 36 CO 0.11 -0.32 0.76 -0.76 -1.33 0.00 0.00 177.39 175.85 2pqe s LEU 37 N 5.82 4.57 -1.84 2.23 1.43 -0.69 -3.28 118.68 126.92 2pqe s LEU 37 Ca 0.98 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 56.25 2pqe s LEU 37 Cb -0.61 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 41.98 2pqe s LEU 37 CO 0.46 -0.07 0.00 0.18 0.23 0.00 0.00 176.35 177.15 2pqe n LEU 38 N 1.37 -1.62 -3.94 1.79 4.77 -1.26 -4.77 117.00 113.34 2pqe n LEU 38 Ca -0.01 0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 56.12 2pqe n LEU 38 Cb 0.45 -2.69 -0.09 0.00 -2.33 0.00 0.00 43.42 38.76 2pqe n LEU 38 CO 0.53 -0.62 -0.20 -0.69 -1.33 0.00 0.00 177.39 175.07 2pqe s VAL 39 N -2.82 0.16 -0.19 4.08 1.01 -1.21 -2.32 120.40 119.11 2pqe s VAL 39 Ca 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 2pqe s VAL 39 Cb 0.00 -1.21 0.07 0.00 0.00 0.00 0.00 36.38 35.23 2pqe s VAL 39 CO 0.00 -0.72 0.09 -0.62 0.00 0.00 0.00 175.10 173.85 2pqe s ASP 40 N -2.59 2.65 -0.80 3.32 2.15 -0.39 -4.41 116.67 116.60 2pqe s ASP 40 Ca 0.02 -0.76 -0.09 0.00 0.43 0.00 0.00 52.55 52.14 2pqe s ASP 40 Cb 0.03 -0.34 0.21 0.00 -0.30 0.00 0.00 42.92 42.53 2pqe s ASP 40 CO -0.08 -0.36 0.70 -0.89 -0.17 0.00 0.00 175.17 174.38 2pqe s THR 41 N 2.07 4.99 0.12 1.71 2.01 -1.26 -1.33 115.64 123.95 2pqe s THR 41 Ca 0.03 -2.83 0.00 0.00 0.31 0.00 0.00 61.69 59.20 2pqe s THR 41 Cb -0.16 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.24 2pqe s THR 41 CO -0.13 -1.00 0.00 0.00 -0.69 0.00 0.00 174.62 172.80 2pqe n ALA 42 N 3.57 -1.76 -2.77 7.40 0.00 -1.26 -3.80 120.51 121.89 2pqe n ALA 42 Ca 0.14 0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.67 2pqe n ALA 42 Cb 0.43 -0.72 0.07 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.88 1.54 -1.55 0.00 2.13 -1.26 -4.92 120.64 115.70 2pqe n GLU 43 Ca 0.00 -2.93 -0.24 0.00 0.66 0.00 0.00 57.16 54.66 2pqe n GLU 43 Cb 0.00 -1.07 -0.08 0.00 0.27 0.00 0.00 31.44 30.56 2pqe n GLU 43 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2pqe n THR 44 N -0.71 -0.03 -1.94 6.31 -2.24 -1.26 -4.61 114.28 109.80 2pqe n THR 44 Ca 0.02 -0.57 0.03 0.00 -2.27 0.00 0.00 64.05 61.26 2pqe n THR 44 Cb 0.82 -1.97 0.05 0.00 -2.10 0.00 0.00 70.33 67.13 2pqe n THR 44 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2pqe n LYS 45 N 8.53 0.35 -0.00 -0.78 -0.00 -1.26 -4.78 118.16 120.22 2pqe n LYS 45 Ca 0.47 -1.71 0.00 0.00 -0.00 0.00 0.00 58.31 57.07 2pqe n LYS 45 Cb 0.41 -0.64 -0.00 0.00 -0.00 0.00 0.00 35.03 34.81 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 -0.21 0.00 -2.74 5.58 -0.00 -1.26 -5.05 115.22 111.53 2pqe n HIS 46 Ca 0.06 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.15 2pqe n HIS 46 Cb 0.80 -0.01 0.05 0.00 -0.12 0.00 0.00 29.99 30.71 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 -1.65 -3.55 -0.09 3.57 -1.04 -1.26 -4.99 114.28 105.28 2pqe n THR 47 Ca -0.00 -0.33 -0.22 0.00 -2.04 0.00 0.00 64.05 61.46 2pqe n THR 47 Cb 0.14 -4.00 -0.12 0.00 -1.82 0.00 0.00 70.33 64.54 2pqe n THR 47 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2pqe h LYS 48 N -0.99 0.04 0.00 -2.82 3.64 -1.98 -3.49 116.57 110.98 2pqe h LYS 48 Ca -0.32 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2pqe h LYS 48 Cb 1.18 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2pqe h LYS 48 CO 0.27 1.03 0.00 0.36 -2.27 0.00 0.00 179.45 178.84 2pqe n LYS 49 N -4.29 0.00 0.00 1.90 -0.00 -1.26 -5.01 118.16 109.50 2pqe n LYS 49 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.99 2pqe n LYS 49 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.77 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 -0.44 1.96 1.22 2.58 0.00 -1.26 -5.02 105.19 104.24 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 -0.09 0.00 0.19 1.61 0.31 -1.26 -3.12 118.33 115.97 2pqe n VAL 51 Ca 0.00 -0.43 0.06 0.00 -0.01 0.00 0.00 64.34 63.96 2pqe n VAL 51 Cb 0.00 0.71 0.36 0.00 -0.91 0.00 0.00 33.84 34.00 2pqe n VAL 51 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2pqe h GLU 52 N 0.43 0.00 -0.09 5.55 4.11 -1.98 -3.36 114.58 119.23 2pqe h GLU 52 Ca -0.43 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.81 2pqe h GLU 52 Cb 1.61 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.67 2pqe h GLU 52 CO -0.13 0.37 -0.43 0.36 0.07 0.00 0.00 179.01 179.25 2pqe n LYS 53 N -3.59 1.38 -3.40 1.06 0.00 -1.26 -4.98 118.16 107.37 2pqe n LYS 53 Ca -0.00 -1.70 -0.23 0.00 -0.00 0.00 0.00 58.31 56.37 2pqe n LYS 53 Cb 0.49 0.01 0.07 0.00 -0.00 0.00 0.00 35.03 35.60 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 -1.20 -2.56 -0.09 5.58 4.02 -1.26 -4.71 117.16 116.94 2pqe n TYR 54 Ca -0.11 0.85 -0.12 0.00 -0.01 0.00 0.00 57.90 58.51 2pqe n TYR 54 Cb 0.86 -4.82 -0.04 0.00 -0.02 0.00 0.00 39.34 35.32 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 -2.26 0.63 1.88 2.72 0.00 -1.89 -0.54 103.07 103.61 2pqe h GLY 55 Ca -0.55 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.10 2pqe h GLY 55 CO 0.55 0.52 -0.46 0.00 0.00 0.00 0.00 176.54 177.16 2pqe h ALA 56 N 0.73 1.13 0.00 3.60 0.00 -1.89 -2.93 119.26 119.90 2pqe h ALA 56 Ca 0.06 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 2pqe h ALA 56 Cb 0.67 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2pqe h ALA 56 CO 0.04 0.60 -0.90 1.49 0.00 0.00 0.00 179.25 180.48 2pqe h GLU 57 N 0.11 0.01 -0.17 0.00 4.57 -1.83 -2.91 114.58 114.35 2pqe h GLU 57 Ca 0.01 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2pqe h GLU 57 Cb 0.85 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 2pqe h GLU 57 CO 0.07 0.91 0.08 0.00 -1.18 0.00 0.00 179.01 178.88 2pqe h ALA 58 N 1.09 0.20 -0.21 2.92 0.00 -0.90 -0.63 119.26 121.73 2pqe h ALA 58 Ca -0.01 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2pqe h ALA 58 Cb 1.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2pqe h ALA 58 CO 0.12 -0.35 -0.52 0.66 0.00 0.00 0.00 179.25 179.16 2pqe h SER 59 N 0.17 0.66 -0.22 0.00 4.64 -1.63 -2.69 113.55 114.49 2pqe h SER 59 Ca 0.07 -0.34 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2pqe h SER 59 Cb 0.02 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 2pqe h SER 59 CO -0.05 1.06 0.12 0.00 -0.87 0.00 0.00 176.83 177.09 2pqe h ALA 60 N 0.96 0.28 -0.43 5.18 0.00 -1.28 0.92 119.26 124.88 2pqe h ALA 60 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2pqe h ALA 60 Cb 1.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2pqe h ALA 60 CO 0.10 -0.21 0.14 0.35 0.00 0.00 0.00 179.25 179.63 2pqe h PHE 61 N 0.25 0.70 -0.04 0.00 3.57 -1.13 0.15 116.94 120.44 2pqe h PHE 61 Ca 0.08 -0.07 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 2pqe h PHE 61 Cb 0.04 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 2pqe h PHE 61 CO -0.04 0.63 -0.70 1.15 -2.23 0.00 0.00 178.31 177.12 2pqe h THR 62 N 0.56 1.43 -0.16 4.41 2.02 -1.33 -0.51 112.91 119.32 2pqe h THR 62 Ca 0.14 -2.21 -0.12 0.00 0.77 0.00 0.00 66.41 64.99 2pqe h THR 62 Cb 0.26 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2pqe h THR 62 CO -0.00 0.65 -0.38 0.50 0.37 0.00 0.00 175.52 176.65 2pqe h LYS 63 N 0.15 0.54 0.00 6.66 3.64 0.11 -2.12 116.57 125.55 2pqe h LYS 63 Ca -0.02 -0.37 -0.20 0.00 -1.27 0.00 0.00 60.65 58.79 2pqe h LYS 63 Cb 1.24 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 2pqe h LYS 63 CO 0.11 0.98 -0.89 1.57 -2.27 0.00 0.00 179.45 178.95 2pqe h LYS 64 N 0.18 0.24 -0.02 1.90 5.09 -0.73 -1.32 116.57 121.91 2pqe h LYS 64 Ca -0.00 -0.26 -0.12 0.00 0.09 0.00 0.00 60.65 60.36 2pqe h LYS 64 Cb 0.99 0.07 -0.02 0.00 0.10 0.00 0.00 32.23 33.38 2pqe h LYS 64 CO 0.08 0.98 -0.56 1.98 -2.09 0.00 0.00 179.45 179.85 2pqe h MET 65 N 0.13 0.06 0.07 0.07 4.05 -1.13 -1.00 114.93 117.18 2pqe h MET 65 Ca -0.05 -0.04 -0.22 0.00 -0.28 0.00 0.00 59.70 59.11 2pqe h MET 65 Cb 1.51 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.31 2pqe h MET 65 CO 0.14 0.60 -1.16 -0.39 0.23 0.00 0.00 176.91 176.33 2pqe h VAL 66 N 0.04 1.12 0.00 -5.77 -1.51 -1.38 -1.74 116.25 107.01 2pqe h VAL 66 Ca -0.00 -2.34 -0.03 0.00 -1.23 0.00 0.00 66.70 63.10 2pqe h VAL 66 Cb 1.00 2.69 -0.00 0.00 -2.13 0.00 0.00 31.29 32.85 2pqe h VAL 66 CO 0.08 0.59 -0.15 -0.33 -1.23 0.00 0.00 177.57 176.53 2pqe h GLU 67 N -0.58 0.00 0.01 5.19 5.08 -1.31 -3.05 114.58 119.92 2pqe h GLU 67 Ca -0.27 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.75 2pqe h GLU 67 Cb 1.53 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.72 2pqe h GLU 67 CO -0.02 0.15 -2.08 -1.71 -1.00 0.00 0.00 179.01 174.35 2pqe n ASN 68 N -3.38 0.61 -0.32 1.42 2.85 -0.38 -4.31 115.26 111.75 2pqe n ASN 68 Ca -0.00 0.18 0.04 0.00 -0.11 0.00 0.00 54.58 54.69 2pqe n ASN 68 Cb 0.35 0.36 0.19 0.00 1.24 0.00 0.00 39.78 41.92 2pqe n ASN 68 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pqe h ALA 69 N 0.89 1.30 0.00 5.20 0.00 -1.20 -3.46 119.26 121.99 2pqe h ALA 69 Ca -0.43 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2pqe h ALA 69 Cb 2.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2pqe h ALA 69 CO 0.05 0.14 0.00 1.63 0.00 0.00 0.00 179.25 181.07 2pqe n LYS 70 N -4.70 0.00 -3.90 0.00 5.02 -1.21 -4.68 118.16 108.69 2pqe n LYS 70 Ca 0.16 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.18 2pqe n LYS 70 Cb 0.31 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.15 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 1.45 -0.05 1.97 2.20 -1.26 -4.86 119.74 119.19 2pqe s LYS 71 Ca 0.00 -0.22 0.06 0.00 -0.36 0.00 0.00 55.97 55.45 2pqe s LYS 71 Cb 0.00 -1.53 -0.01 0.00 -1.51 0.00 0.00 37.83 34.77 2pqe s LYS 71 CO 0.00 -0.27 -0.24 0.42 -0.36 0.00 0.00 175.35 174.90 2pqe s ILE 72 N 1.73 1.96 -0.03 5.43 1.09 -1.26 0.55 121.20 130.67 2pqe s ILE 72 Ca 0.05 -1.02 0.04 0.00 -1.10 0.00 0.00 60.65 58.62 2pqe s ILE 72 Cb -0.13 -1.65 -0.01 0.00 -1.06 0.00 0.00 42.46 39.62 2pqe s ILE 72 CO -0.08 0.55 -0.16 -1.61 -0.10 0.00 0.00 174.94 173.54 2pqe s GLU 73 N -0.25 1.54 0.10 2.79 2.02 0.22 -2.39 118.70 122.73 2pqe s GLU 73 Ca -0.00 -0.57 0.08 0.00 0.02 0.00 0.00 54.97 54.50 2pqe s GLU 73 Cb -0.12 -1.39 -0.04 0.00 0.10 0.00 0.00 34.13 32.67 2pqe s GLU 73 CO 0.02 0.27 -0.17 0.14 0.02 0.00 0.00 175.26 175.54 2pqe s VAL 74 N -0.09 2.89 -0.16 2.63 -7.23 -0.98 0.31 120.40 117.76 2pqe s VAL 74 Ca -0.00 -1.42 -0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2pqe s VAL 74 Cb -0.09 -2.31 0.04 0.00 0.56 0.00 0.00 36.38 34.58 2pqe s VAL 74 CO 0.01 0.15 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.19 2pqe s GLU 75 N -2.01 1.51 -0.31 4.82 2.12 -0.69 -0.41 118.70 123.74 2pqe s GLU 75 Ca 0.18 -0.51 -0.19 0.00 0.36 0.00 0.00 54.97 54.81 2pqe s GLU 75 Cb -0.11 -1.99 -0.01 0.00 0.26 0.00 0.00 34.13 32.28 2pqe s GLU 75 CO 0.09 -0.41 0.58 -0.06 -0.54 0.00 0.00 175.26 174.92 2pqe s PHE 76 N 1.62 3.22 0.00 5.30 0.08 -1.26 -1.80 117.98 125.14 2pqe s PHE 76 Ca 0.01 0.50 0.00 0.00 0.12 0.00 0.00 56.93 57.56 2pqe s PHE 76 Cb -0.15 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 2pqe s PHE 76 CO -0.08 -0.45 0.00 -0.25 -0.10 0.00 0.00 175.22 174.35 2pqe n ASP 77 N 5.77 0.00 0.24 1.36 9.92 -1.26 -4.96 116.55 127.63 2pqe n ASP 77 Ca -0.03 -0.24 0.14 0.00 -0.53 0.00 0.00 54.79 54.13 2pqe n ASP 77 Cb 0.49 0.00 0.48 0.00 -0.64 0.00 0.00 41.12 41.45 2pqe n ASP 77 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2pqe h LYS 78 N 0.00 0.00 -6.79 -1.24 6.56 -1.96 -3.46 116.57 109.68 2pqe h LYS 78 Ca 0.00 0.00 -0.39 0.00 -1.06 0.00 0.00 60.65 59.20 2pqe h LYS 78 Cb 0.00 0.00 0.21 0.00 -0.57 0.00 0.00 32.23 31.87 2pqe h LYS 78 CO 0.00 0.08 -0.42 0.41 -2.06 0.00 0.00 179.45 177.46 2pqe n GLY 79 N 0.38 -2.70 3.73 3.86 0.00 0.20 -4.61 105.19 106.06 2pqe n GLY 79 Ca 0.01 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 2pqe n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pqe s GLN 80 N -4.12 4.25 0.46 1.61 -2.07 -1.26 -4.85 119.66 113.68 2pqe s GLN 80 Ca 0.60 2.31 0.30 0.00 -1.82 0.00 0.00 55.36 56.75 2pqe s GLN 80 Cb -0.16 -3.13 1.22 0.00 -1.09 0.00 0.00 33.01 29.85 2pqe s GLN 80 CO 0.59 -0.49 1.90 -0.09 -1.32 0.00 0.00 175.29 175.88 2pqe h ARG 81 N 5.74 0.00 -2.96 9.60 2.43 -1.90 -3.40 114.38 123.89 2pqe h ARG 81 Ca -0.45 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.32 2pqe h ARG 81 Cb 1.21 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 30.37 2pqe h ARG 81 CO 0.83 0.00 -0.71 0.95 -1.51 0.00 0.00 179.97 179.53 2pqe s THR 82 N -3.55 -0.16 -1.31 0.20 -4.23 -1.26 -1.38 115.64 103.96 2pqe s THR 82 Ca 0.02 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.40 2pqe s THR 82 Cb 0.09 -0.52 -0.07 0.00 1.34 0.00 0.00 72.50 73.35 2pqe s THR 82 CO 0.50 -0.17 2.51 -0.67 -0.54 0.00 0.00 174.62 176.26 2pqe n ASP 83 N 5.30 6.40 -2.13 3.99 2.03 -1.26 -4.45 116.55 126.42 2pqe n ASP 83 Ca -0.06 -2.53 -0.13 0.00 0.52 0.00 0.00 54.79 52.59 2pqe n ASP 83 Cb 0.49 -1.39 -0.02 0.00 -0.72 0.00 0.00 41.12 39.49 2pqe n ASP 83 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2pqe n LYS 84 N 4.38 -1.93 -0.26 -0.67 4.76 -1.26 -4.73 118.16 118.45 2pqe n LYS 84 Ca 0.62 0.66 0.00 0.00 -2.87 0.00 0.00 58.31 56.73 2pqe n LYS 84 Cb 0.23 -5.16 0.01 0.00 -1.84 0.00 0.00 35.03 28.26 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 -2.98 0.00 -1.68 2.13 4.01 -1.26 -4.99 117.16 112.39 2pqe n TYR 85 Ca -0.15 -0.05 -0.15 0.00 -0.16 0.00 0.00 57.90 57.39 2pqe n TYR 85 Cb 0.56 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.51 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 -0.07 0.99 0.89 2.72 0.00 -1.26 -4.94 105.19 103.51 2pqe n GLY 86 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.22 0.31 -3.78 1.61 1.74 -1.26 -4.80 116.66 108.26 2pqe n ARG 87 Ca -0.16 -0.59 -0.29 0.00 -0.77 0.00 0.00 57.85 56.04 2pqe n ARG 87 Cb 0.54 -0.18 -0.10 0.00 -1.02 0.00 0.00 32.46 31.69 2pqe n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pqe n GLY 88 N 3.21 4.18 3.67 -0.13 0.00 0.28 -3.98 105.19 112.42 2pqe n GLY 88 Ca 0.04 -2.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.00 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 1.82 3.96 0.00 0.99 4.77 -0.48 -1.90 117.00 126.17 2pqe n LEU 89 Ca 0.22 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 2pqe n LEU 89 Cb 0.36 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 2pqe n LEU 89 CO 0.31 0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.50 2pqe n ALA 90 N 6.62 0.00 -1.81 -1.18 0.00 -0.21 -4.66 120.51 119.26 2pqe n ALA 90 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 2pqe n ALA 90 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.14 0.00 1.51 -0.74 -1.70 117.35 118.11 2pqe s TYR 91 Ca 0.00 1.80 -0.06 0.00 -1.01 0.00 0.00 57.07 57.79 2pqe s TYR 91 Cb 0.00 -2.91 -0.04 0.00 -0.11 0.00 0.00 41.96 38.90 2pqe s TYR 91 CO 0.00 0.35 0.09 0.42 -1.11 0.00 0.00 175.55 175.30 2pqe s ILE 92 N -1.38 5.08 -0.05 2.71 -1.09 -1.26 -1.71 121.20 123.49 2pqe s ILE 92 Ca 0.44 0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.94 2pqe s ILE 92 Cb -0.22 -3.23 0.01 0.00 -1.58 0.00 0.00 42.46 37.45 2pqe s ILE 92 CO 0.27 0.56 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.14 2pqe s TYR 93 N -0.50 1.06 -0.16 3.97 1.51 0.15 -2.08 117.35 121.30 2pqe s TYR 93 Ca 0.11 -0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2pqe s TYR 93 Cb -0.12 -0.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.90 2pqe s TYR 93 CO 0.02 -0.20 -0.08 0.00 -1.11 0.00 0.00 175.55 174.18 2pqe s ALA 94 N 0.65 2.78 -1.78 3.71 0.00 0.40 0.69 121.76 128.21 2pqe s ALA 94 Ca -0.11 -0.93 -0.18 0.00 0.00 0.00 0.00 51.96 50.74 2pqe s ALA 94 Cb -0.14 -1.43 0.18 0.00 0.00 0.00 0.00 23.12 21.73 2pqe s ALA 94 CO 0.02 0.08 0.52 -3.47 0.00 0.00 0.00 175.76 172.91 2pqe n ASP 95 N 3.82 -1.54 -0.30 0.00 2.03 0.19 0.15 116.55 120.90 2pqe n ASP 95 Ca -0.18 -1.21 -0.03 0.00 0.52 0.00 0.00 54.79 53.89 2pqe n ASP 95 Cb 0.52 -1.84 -0.01 0.00 -0.72 0.00 0.00 41.12 39.07 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 -1.42 0.52 3.39 0.27 0.00 -1.26 -5.04 105.19 101.65 2pqe n GLY 96 Ca 0.02 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.84 1.41 -0.39 1.61 2.20 0.40 -5.10 119.74 117.04 2pqe s LYS 97 Ca 0.00 -1.34 -0.25 0.00 -0.36 0.00 0.00 55.97 54.02 2pqe s LYS 97 Cb 0.00 -1.89 0.02 0.00 -1.51 0.00 0.00 37.83 34.44 2pqe s LYS 97 CO 0.00 0.45 0.90 -1.64 -0.36 0.00 0.00 175.35 174.70 2pqe s MET 98 N -2.02 3.77 0.02 4.03 -1.94 -1.26 -0.45 119.30 121.44 2pqe s MET 98 Ca 0.14 0.45 -0.22 0.00 -1.71 0.00 0.00 55.69 54.36 2pqe s MET 98 Cb -0.10 -3.83 -0.16 0.00 2.01 0.00 0.00 34.83 32.75 2pqe s MET 98 CO 0.06 -0.99 1.29 0.28 -0.01 0.00 0.00 175.02 175.65 2pqe h VAL 99 N 5.86 1.38 -0.22 -6.03 2.07 -1.79 -2.13 116.25 115.39 2pqe h VAL 99 Ca -0.24 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 65.96 2pqe h VAL 99 Cb 1.08 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 2pqe h VAL 99 CO 0.98 0.39 -0.05 -0.55 0.02 0.00 0.00 177.57 178.36 2pqe h ASN 100 N -0.14 -0.20 -0.18 0.57 -1.07 -1.92 0.19 115.58 112.83 2pqe h ASN 100 Ca 0.01 0.06 -0.00 0.00 0.07 0.00 0.00 56.30 56.45 2pqe h ASN 100 Cb 0.70 0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 37.07 2pqe h ASN 100 CO 0.03 -0.07 0.11 -0.33 0.07 0.00 0.00 177.43 177.25 2pqe h GLU 101 N 0.00 0.25 -0.71 4.14 5.08 -1.94 0.31 114.58 121.71 2pqe h GLU 101 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2pqe h GLU 101 Cb 0.16 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2pqe h GLU 101 CO -0.22 0.19 0.44 0.00 -1.00 0.00 0.00 179.01 178.43 2pqe h ALA 102 N 1.04 1.45 0.17 3.43 0.00 -1.00 0.83 119.26 125.18 2pqe h ALA 102 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2pqe h ALA 102 Cb 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2pqe h ALA 102 CO -0.01 0.49 -0.08 -0.07 0.00 0.00 0.00 179.25 179.58 2pqe h LEU 103 N 0.97 -0.20 -0.27 0.00 3.38 -0.22 -1.54 115.31 117.44 2pqe h LEU 103 Ca 0.26 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2pqe h LEU 103 Cb -0.07 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2pqe h LEU 103 CO -0.05 0.28 -0.04 0.58 0.09 0.00 0.00 178.44 179.29 2pqe h VAL 104 N -0.74 1.27 -0.06 1.22 2.07 -0.81 1.02 116.25 120.23 2pqe h VAL 104 Ca -0.02 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2pqe h VAL 104 Cb 0.51 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2pqe h VAL 104 CO 0.04 0.33 0.01 -0.09 0.02 0.00 0.00 177.57 177.88 2pqe h ARG 105 N 0.27 0.08 0.00 1.57 2.43 0.60 -1.78 114.38 117.54 2pqe h ARG 105 Ca 0.07 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.05 2pqe h ARG 105 Cb 0.50 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2pqe h ARG 105 CO 0.02 0.08 -1.36 1.96 -1.51 0.00 0.00 179.97 179.16 2pqe h GLN 106 N 0.08 0.00 -0.02 0.20 1.08 -1.02 -3.45 115.11 111.98 2pqe h GLN 106 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2pqe h GLN 106 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2pqe h GLN 106 CO -0.00 0.38 0.00 0.41 -0.95 0.00 0.00 178.83 178.67 2pqe n GLY 107 N 1.41 0.68 0.00 3.46 0.00 0.14 -4.22 105.19 106.66 2pqe n GLY 107 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.01 0.95 -4.16 0.99 7.99 0.31 -1.00 117.00 122.06 2pqe n LEU 108 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.76 2pqe n LEU 108 Cb 0.01 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.16 2pqe n LEU 108 CO 0.00 0.16 -0.50 0.00 -1.51 0.00 0.00 177.39 175.54 2pqe s ALA 109 N -1.95 1.41 0.41 -1.18 0.00 -1.16 -4.23 121.76 115.07 2pqe s ALA 109 Ca 0.00 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.25 2pqe s ALA 109 Cb 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 23.12 22.83 2pqe s ALA 109 CO 0.00 0.34 0.50 0.36 0.00 0.00 0.00 175.76 176.96 2pqe n LYS 110 N 2.60 0.60 -3.26 0.00 -0.00 -0.44 -3.58 118.16 114.08 2pqe n LYS 110 Ca -0.15 -1.75 -0.40 0.00 -0.00 0.00 0.00 58.31 56.01 2pqe n LYS 110 Cb 0.54 -0.21 -0.08 0.00 -0.00 0.00 0.00 35.03 35.28 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 -1.27 5.06 0.00 0.58 1.01 -1.26 -1.26 120.40 123.25 2pqe s VAL 111 Ca 0.36 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2pqe s VAL 111 Cb -0.03 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2pqe s VAL 111 CO 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.29 2pqe n ALA 112 N 5.61 0.00 -3.46 5.51 0.00 -0.98 -4.85 120.51 122.33 2pqe n ALA 112 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 2pqe n ALA 112 Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.27 -0.31 -0.21 0.00 2.02 -1.26 -4.83 117.35 112.48 2pqe s TYR 113 Ca 0.00 0.06 -0.15 0.00 -0.37 0.00 0.00 57.07 56.62 2pqe s TYR 113 Cb 0.00 -0.41 -0.04 0.00 -0.40 0.00 0.00 41.96 41.11 2pqe s TYR 113 CO 0.00 -0.71 0.34 0.08 -1.57 0.00 0.00 175.55 173.69 2pqe s VAL 114 N 2.33 5.24 0.22 0.71 1.01 -1.26 -4.98 120.40 123.67 2pqe s VAL 114 Ca 0.08 0.58 -0.09 0.00 0.00 0.00 0.00 61.98 62.55 2pqe s VAL 114 Cb -0.15 -3.67 0.16 0.00 0.00 0.00 0.00 36.38 32.72 2pqe s VAL 114 CO -0.20 0.27 1.84 1.88 0.00 0.00 0.00 175.10 178.89 2pqe h TYR 115 N 7.41 0.83 -1.05 5.22 0.05 -2.00 -3.46 116.97 123.96 2pqe h TYR 115 Ca -0.36 0.02 0.23 0.00 0.05 0.00 0.00 58.73 58.67 2pqe h TYR 115 Cb 1.16 -0.27 -0.29 0.00 1.01 0.00 0.00 36.73 38.35 2pqe h TYR 115 CO 0.68 0.44 0.94 -1.59 -1.05 0.00 0.00 178.16 177.58 2pqe s LYS 116 N -6.10 0.05 0.00 4.88 -2.85 -1.26 -5.02 119.74 109.45 2pqe s LYS 116 Ca -0.13 0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.86 2pqe s LYS 116 Cb 0.16 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 2pqe s LYS 116 CO 0.77 -0.01 0.00 0.41 0.10 0.00 0.00 175.35 176.62 2pqe n GLY 117 N 0.75 3.11 3.12 0.59 0.00 -1.26 -4.53 105.19 106.98 2pqe n GLY 117 Ca -0.02 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 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 5.34 -0.15 1.61 2.47 -1.26 -0.63 114.94 122.32 2pqe s ASN 118 Ca 0.00 -2.38 0.09 0.00 0.42 0.00 0.00 52.86 51.00 2pqe s ASN 118 Cb 0.00 -1.87 0.24 0.00 -1.45 0.00 0.00 41.25 38.17 2pqe s ASN 118 CO 0.00 -0.49 1.23 0.59 -3.72 0.00 0.00 177.10 174.71 2pqe n ASN 119 N 4.16 -0.76 -0.07 -4.21 3.02 -1.26 -4.68 115.26 111.45 2pqe n ASN 119 Ca 0.02 -2.08 -0.20 0.00 -0.03 0.00 0.00 54.58 52.28 2pqe n ASN 119 Cb 0.40 0.32 -0.12 0.00 -0.61 0.00 0.00 39.78 39.77 2pqe n ASN 119 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2pqe h THR 120 N 4.88 1.08 -0.44 3.41 2.02 -2.04 -3.36 112.91 118.47 2pqe h THR 120 Ca -0.46 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 64.47 2pqe h THR 120 Cb 1.41 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 2pqe h THR 120 CO -0.17 0.46 0.00 1.41 0.37 0.00 0.00 175.52 177.58 2pqe n HIS 121 N -4.34 0.97 0.24 3.16 8.25 -1.26 -4.28 115.22 117.96 2pqe n HIS 121 Ca -0.27 -0.39 0.14 0.00 -0.26 0.00 0.00 57.72 56.94 2pqe n HIS 121 Cb 0.70 -0.16 0.70 0.00 1.12 0.00 0.00 29.99 32.34 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 2.74 0.00 0.12 -0.41 4.81 -1.92 -1.48 114.58 118.44 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 1.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2pqe h GLU 122 CO 0.14 0.00 -0.06 1.96 -0.73 0.00 0.00 179.01 180.32 2pqe h GLN 123 N 0.00 -0.16 -0.14 1.92 4.20 -1.88 -2.61 115.11 116.45 2pqe h GLN 123 Ca 0.00 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 2pqe h GLN 123 Cb 0.08 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2pqe h GLN 123 CO 0.00 0.29 -0.49 1.37 -0.67 0.00 0.00 178.83 179.33 2pqe h LEU 124 N -0.91 0.40 -0.14 1.46 -0.00 -1.84 -2.35 115.31 111.93 2pqe h LEU 124 Ca -0.02 -0.19 -0.00 0.00 -0.00 0.00 0.00 57.88 57.66 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 0.03 0.83 0.07 -0.07 -0.00 0.00 0.00 178.44 179.30 2pqe h LEU 125 N 0.30 0.18 -1.17 0.17 3.38 -1.39 -0.54 115.31 116.24 2pqe h LEU 125 Ca 0.01 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2pqe h LEU 125 Cb 0.97 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2pqe h LEU 125 CO 0.08 0.23 -0.28 -0.09 0.09 0.00 0.00 178.44 178.47 2pqe h ARG 126 N 0.11 0.22 -0.03 1.13 2.43 -1.44 -2.23 114.38 114.58 2pqe h ARG 126 Ca 0.05 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2pqe h ARG 126 Cb 0.10 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2pqe h ARG 126 CO -0.01 0.49 -0.01 0.87 -1.51 0.00 0.00 179.97 179.80 2pqe h LYS 127 N 0.20 0.06 -0.87 0.20 6.56 -1.06 -0.68 116.57 120.97 2pqe h LYS 127 Ca 0.03 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2pqe h LYS 127 Cb 0.61 -0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.22 2pqe h LYS 127 CO 0.04 0.41 0.52 1.03 -2.06 0.00 0.00 179.45 179.39 2pqe h SER 128 N -0.30 1.04 -0.24 0.86 0.87 -1.01 -1.35 113.55 113.42 2pqe h SER 128 Ca 0.01 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 2pqe h SER 128 Cb 0.39 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2pqe h SER 128 CO 0.00 0.80 -0.06 -0.08 -0.53 0.00 0.00 176.83 176.96 2pqe h GLU 129 N 1.20 0.47 -0.52 2.24 4.81 -1.35 -2.35 114.58 119.08 2pqe h GLU 129 Ca 0.31 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2pqe h GLU 129 Cb -0.05 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2pqe h GLU 129 CO -0.06 0.70 0.33 0.00 -0.73 0.00 0.00 179.01 179.24 2pqe h ALA 130 N 0.76 0.66 -0.93 2.92 0.00 -0.80 0.28 119.26 122.15 2pqe h ALA 130 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pqe h ALA 130 Cb 0.52 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2pqe h ALA 130 CO 0.02 0.05 0.56 1.96 0.00 0.00 0.00 179.25 181.85 2pqe h GLN 131 N 0.66 1.26 0.00 0.00 4.20 -1.22 0.10 115.11 120.11 2pqe h GLN 131 Ca 0.20 -0.12 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 2pqe h GLN 131 Cb -0.03 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.47 2pqe h GLN 131 CO -0.07 0.88 -0.71 0.00 -0.67 0.00 0.00 178.83 178.27 2pqe h ALA 132 N 1.31 0.78 0.04 3.87 0.00 -0.90 -1.98 119.26 122.38 2pqe h ALA 132 Ca 0.33 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2pqe h ALA 132 Cb -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2pqe h ALA 132 CO -0.06 0.88 -0.02 -0.22 0.00 0.00 0.00 179.25 179.83 2pqe h LYS 133 N 0.00 -0.05 -0.28 0.00 3.11 0.19 0.62 116.57 120.16 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 1.29 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.51 2pqe h LYS 133 CO 0.09 0.57 -0.13 0.87 -2.81 0.00 0.00 179.45 178.05 2pqe h LYS 134 N -0.73 0.48 0.00 1.90 1.57 -0.90 -2.75 116.57 116.14 2pqe h LYS 134 Ca -0.01 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.50 2pqe h LYS 134 Cb 0.64 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2pqe h LYS 134 CO 0.01 0.61 -1.00 0.93 -0.57 0.00 0.00 179.45 179.42 2pqe h GLU 135 N 0.45 0.00 -5.19 3.15 5.08 -1.41 -3.49 114.58 113.16 2pqe h GLU 135 Ca 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2pqe h GLU 135 Cb 0.49 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2pqe h GLU 135 CO 0.03 0.38 -0.06 1.63 -1.00 0.00 0.00 179.01 179.99 2pqe n LYS 136 N -3.03 -1.28 0.00 2.33 4.76 0.21 -5.01 118.16 116.14 2pqe n LYS 136 Ca -0.04 1.37 0.00 0.00 -2.87 0.00 0.00 58.31 56.77 2pqe n LYS 136 Cb 0.79 -5.43 0.00 0.00 -1.84 0.00 0.00 35.03 28.54 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 -1.81 1.71 0.00 -0.35 4.77 -0.93 -4.54 117.00 115.85 2pqe n LEU 137 Ca -0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2pqe n LEU 137 Cb 0.51 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2pqe n LEU 137 CO 0.49 -0.07 0.00 0.59 -1.33 0.00 0.00 177.39 177.07 2pqe n ASN 138 N -0.71 0.00 -0.35 -1.43 3.02 -1.26 -4.62 115.26 109.92 2pqe n ASN 138 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 2pqe n ASN 138 Cb 0.00 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.47 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 0.79 -0.51 2.41 3.07 -1.35 0.30 117.51 122.23 2pqe h ILE 139 Ca 0.00 -0.29 -0.05 0.00 1.55 0.00 0.00 64.86 66.07 2pqe h ILE 139 Cb 0.00 -0.12 -0.03 0.00 -0.27 0.00 0.00 36.82 36.40 2pqe h ILE 139 CO 0.00 0.15 0.06 0.79 -1.05 0.00 0.00 178.15 178.10 2pqe n TRP 140 N -4.69 1.79 -0.84 0.16 5.03 -1.26 -4.15 117.44 113.48 2pqe n TRP 140 Ca 0.21 -0.70 0.08 0.00 3.03 0.00 0.00 57.50 60.12 2pqe n TRP 140 Cb 0.49 -0.48 0.35 0.00 -1.03 0.00 0.00 31.31 30.64 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 0.35 5.00 -0.91 -0.99 2.88 0.11 -4.33 113.62 115.72 2pqe n SER 141 Ca 0.26 -2.82 -0.05 0.00 -1.33 0.00 0.00 58.87 54.93 2pqe n SER 141 Cb 1.07 -0.61 -0.05 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.46 0.00 -2.62 -1.46 -0.00 -1.26 -4.98 120.64 110.77 2pqe n GLU 142 Ca 0.25 -0.84 -0.30 0.00 -0.00 0.00 0.00 57.16 56.27 2pqe n GLU 142 Cb 1.03 0.37 -0.01 0.00 -0.00 0.00 0.00 31.44 32.83 2pqe n GLU 142 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2pqe n ASP 143 N 0.02 5.27 -4.54 -1.84 2.03 -1.26 -5.03 116.55 111.19 2pqe n ASP 143 Ca -0.21 -3.72 -0.41 0.00 0.52 0.00 0.00 54.79 50.97 2pqe n ASP 143 Cb 0.68 -0.66 -0.05 0.00 -0.72 0.00 0.00 41.12 40.38 2pqe n ASP 143 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2pqe n ASN 144 N -0.34 2.44 0.07 1.67 2.85 -1.26 -4.80 115.26 115.89 2pqe n ASN 144 Ca 0.38 -0.06 0.13 0.00 -0.11 0.00 0.00 54.58 54.92 2pqe n ASN 144 Cb 0.45 -1.47 0.61 0.00 1.24 0.00 0.00 39.78 40.61 2pqe n ASN 144 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pqe h ALA 145 N 16.30 2.15 -5.50 5.20 0.00 -2.01 -3.47 119.26 131.94 2pqe h ALA 145 Ca -0.29 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2pqe h ALA 145 Cb 1.27 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.07 2pqe h ALA 145 CO 1.09 -0.24 -0.20 -3.47 0.00 0.00 0.00 179.25 176.42 2pqe n ASP 146 N -4.46 -7.41 -4.57 0.00 -0.08 -1.26 -4.76 116.55 94.02 2pqe n ASP 146 Ca 0.05 -0.23 -0.14 0.00 -1.51 0.00 0.00 54.79 52.95 2pqe n ASP 146 Cb 0.33 -5.00 -0.09 0.00 2.34 0.00 0.00 41.12 38.71 2pqe n ASP 146 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2pqe s SER 147 N -3.06 3.74 0.00 1.67 0.15 -1.26 -4.53 113.70 110.41 2pqe s SER 147 Ca 0.06 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.33 2pqe s SER 147 Cb -0.01 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2pqe s SER 147 CO 0.76 -4.21 0.00 0.61 1.20 0.00 0.00 173.24 171.60 2pqe n GLY 148 N 6.55 3.95 3.87 9.45 0.00 -1.26 -5.33 105.19 122.42 2pqe n GLY 148 Ca 0.45 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2pqe n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26