#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 -1.99 -0.03 0.00 -1.04 -1.26 -4.91 114.28 105.05 2pqe n THR 2 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 2pqe n THR 2 Cb 0.00 -3.46 -0.09 0.00 -1.82 0.00 0.00 70.33 64.96 2pqe n THR 2 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2pqe h SER 3 N -1.38 0.36 -3.12 8.00 4.64 -2.14 -3.45 113.55 116.46 2pqe h SER 3 Ca -0.52 -0.64 -0.59 0.00 -0.47 0.00 0.00 61.79 59.57 2pqe h SER 3 Cb 1.36 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.31 2pqe h SER 3 CO 0.56 0.94 -0.34 0.28 -0.87 0.00 0.00 176.83 177.40 2pqe s THR 4 N -3.68 5.20 -0.16 2.95 -1.32 -1.26 -5.09 115.64 112.28 2pqe s THR 4 Ca -0.14 -0.02 -0.03 0.00 -1.21 0.00 0.00 61.69 60.29 2pqe s THR 4 Cb 0.03 -3.62 -0.02 0.00 -1.51 0.00 0.00 72.50 67.38 2pqe s THR 4 CO 0.76 0.06 -0.06 -0.54 -2.21 0.00 0.00 174.62 172.64 2pqe s LYS 5 N -2.61 3.56 -0.50 7.08 1.02 -1.26 -5.05 119.74 121.98 2pqe s LYS 5 Ca 0.40 -0.58 0.06 0.00 0.02 0.00 0.00 55.97 55.88 2pqe s LYS 5 Cb -0.12 -2.87 0.23 0.00 -0.52 0.00 0.00 37.83 34.55 2pqe s LYS 5 CO 0.25 0.16 0.55 1.63 -0.92 0.00 0.00 175.35 177.02 2pqe n LYS 6 N 3.76 1.27 -0.03 1.68 5.02 -1.26 -4.86 118.16 123.74 2pqe n LYS 6 Ca -0.18 -3.77 -0.00 0.00 -2.02 0.00 0.00 58.31 52.34 2pqe n LYS 6 Cb 0.52 -1.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.75 2pqe n LYS 6 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2pqe n LEU 7 N 1.54 0.00 -4.75 -0.35 -0.00 -1.26 -5.02 117.00 107.16 2pqe n LEU 7 Ca 0.25 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.97 2pqe n LEU 7 Cb 0.47 0.14 0.14 0.00 -0.00 0.00 0.00 43.42 44.17 2pqe n LEU 7 CO 0.24 0.14 0.69 -1.38 -0.00 0.00 0.00 177.39 177.08 2pqe s HIS 8 N -2.47 2.45 0.61 1.47 -3.43 -1.26 -5.04 115.29 107.63 2pqe s HIS 8 Ca -0.05 1.01 -0.12 0.00 -0.80 0.00 0.00 55.06 55.11 2pqe s HIS 8 Cb 0.05 -3.26 -0.04 0.00 -1.43 0.00 0.00 32.58 27.89 2pqe s HIS 8 CO 0.43 -2.37 1.03 0.15 -2.00 0.00 0.00 174.74 171.98 2pqe s LYS 9 N -5.12 3.57 -0.30 -0.38 3.01 -1.26 -4.83 119.74 114.42 2pqe s LYS 9 Ca 0.63 0.82 -0.17 0.00 -1.01 0.00 0.00 55.97 56.25 2pqe s LYS 9 Cb -0.16 -2.08 0.18 0.00 -1.01 0.00 0.00 37.83 34.77 2pqe s LYS 9 CO 0.55 -0.59 1.15 -2.00 0.51 0.00 0.00 175.35 174.97 2pqe s GLU 10 N -4.95 0.16 0.00 1.68 2.12 0.43 -4.79 118.70 113.35 2pqe s GLU 10 Ca 0.56 0.35 0.00 0.00 0.36 0.00 0.00 54.97 56.25 2pqe s GLU 10 Cb -0.11 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.43 2pqe s GLU 10 CO 0.50 -0.05 0.00 0.00 -0.54 0.00 0.00 175.26 175.17 2pqe n ALA 11 N 4.23 0.75 0.00 6.30 0.00 -1.26 -2.30 120.51 128.23 2pqe n ALA 11 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2pqe n ALA 11 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -3.24 0.00 0.00 -1.07 -4.14 120.51 109.07 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 0.03 -0.28 0.00 2.01 -1.02 -4.52 115.64 111.86 2pqe s THR 13 Ca 0.00 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 61.58 2pqe s THR 13 Cb 0.00 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2pqe s THR 13 CO 0.00 -0.15 0.37 -0.22 -0.69 0.00 0.00 174.62 173.93 2pqe s LEU 14 N -0.67 4.07 -0.11 4.42 1.98 -1.26 0.17 118.68 127.28 2pqe s LEU 14 Ca -0.08 0.24 -0.14 0.00 -2.89 0.00 0.00 54.13 51.26 2pqe s LEU 14 Cb -0.04 -2.41 -0.12 0.00 0.66 0.00 0.00 46.19 44.27 2pqe s LEU 14 CO 0.03 -0.20 0.43 0.40 -1.89 0.00 0.00 176.35 175.12 2pqe h ILE 15 N 5.40 0.80 -1.29 6.68 5.03 -1.16 -3.47 117.51 129.50 2pqe h ILE 15 Ca -0.31 -1.52 0.14 0.00 -0.12 0.00 0.00 64.86 63.05 2pqe h ILE 15 Cb 1.16 1.48 -0.30 0.00 -3.03 0.00 0.00 36.82 36.13 2pqe h ILE 15 CO 0.65 0.26 0.70 -0.75 -0.68 0.00 0.00 178.15 178.33 2pqe s LYS 16 N -2.11 0.24 0.34 2.37 2.47 -1.04 -5.02 119.74 117.00 2pqe s LYS 16 Ca -0.09 0.29 -0.16 0.00 -1.56 0.00 0.00 55.97 54.45 2pqe s LYS 16 Cb -0.01 0.12 -0.09 0.00 -1.46 0.00 0.00 37.83 36.38 2pqe s LYS 16 CO 0.33 -0.03 0.78 0.00 0.16 0.00 0.00 175.35 176.60 2pqe s ALA 17 N 0.14 3.26 -0.06 3.13 0.00 -1.26 -0.33 121.76 126.64 2pqe s ALA 17 Ca 0.05 0.13 -0.08 0.00 0.00 0.00 0.00 51.96 52.06 2pqe s ALA 17 Cb -0.05 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 2pqe s ALA 17 CO -0.12 0.29 -0.15 -0.89 0.00 0.00 0.00 175.76 174.89 2pqe n ILE 18 N -0.40 0.85 -2.68 0.00 2.08 0.40 -4.88 119.36 114.71 2pqe n ILE 18 Ca 0.04 0.27 -0.08 0.00 0.56 0.00 0.00 62.75 63.55 2pqe n ILE 18 Cb 0.53 -1.83 0.05 0.00 -0.75 0.00 0.00 39.64 37.65 2pqe n ILE 18 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2pqe n ASP 19 N -3.51 0.76 0.00 4.38 9.92 -0.51 -4.82 116.55 122.77 2pqe n ASP 19 Ca -0.06 -2.59 0.00 0.00 -0.53 0.00 0.00 54.79 51.61 2pqe n ASP 19 Cb 0.22 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 2pqe n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pqe n GLY 20 N -0.24 0.81 0.04 0.44 0.00 -1.26 -3.80 105.19 101.17 2pqe n GLY 20 Ca 0.06 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.21 2pqe n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pqe n ASP 21 N 2.02 0.21 -3.87 1.61 5.68 -1.26 -4.55 116.55 116.39 2pqe n ASP 21 Ca 0.00 -0.11 -0.30 0.00 -0.50 0.00 0.00 54.79 53.88 2pqe n ASP 21 Cb 0.00 -0.21 -0.15 0.00 -1.14 0.00 0.00 41.12 39.61 2pqe n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2pqe s THR 22 N -2.71 1.33 -0.00 2.12 2.01 -1.25 -1.01 115.64 116.12 2pqe s THR 22 Ca 0.22 -1.34 0.01 0.00 0.31 0.00 0.00 61.69 60.89 2pqe s THR 22 Cb 0.19 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.92 2pqe s THR 22 CO 0.51 -0.34 -0.02 0.54 -0.69 0.00 0.00 174.62 174.62 2pqe s VAL 23 N 1.44 0.20 -0.50 3.82 0.11 0.24 0.15 120.40 125.86 2pqe s VAL 23 Ca 0.01 -0.09 -0.25 0.00 -2.93 0.00 0.00 61.98 58.72 2pqe s VAL 23 Cb -0.18 -0.18 0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2pqe s VAL 23 CO -0.12 0.07 0.96 -0.75 -3.33 0.00 0.00 175.10 171.93 2pqe s LYS 24 N 0.04 3.46 -0.17 1.54 2.20 0.55 0.16 119.74 127.53 2pqe s LYS 24 Ca -0.00 0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 55.61 2pqe s LYS 24 Cb -0.02 -3.98 -0.01 0.00 -1.51 0.00 0.00 37.83 32.31 2pqe s LYS 24 CO -0.00 -1.36 -0.08 -1.17 -0.36 0.00 0.00 175.35 172.38 2pqe s LEU 25 N 3.94 2.87 -0.80 5.43 0.20 0.08 -0.52 118.68 129.86 2pqe s LEU 25 Ca 0.35 -0.32 -0.25 0.00 0.69 0.00 0.00 54.13 54.60 2pqe s LEU 25 Cb -0.11 -1.69 0.00 0.00 -0.43 0.00 0.00 46.19 43.97 2pqe s LEU 25 CO 0.24 0.10 1.63 -0.32 -0.29 0.00 0.00 176.35 177.70 2pqe s MET 26 N 0.76 2.98 0.04 1.98 1.75 0.46 -2.36 119.30 124.91 2pqe s MET 26 Ca -0.03 -0.21 -0.03 0.00 -1.25 0.00 0.00 55.69 54.16 2pqe s MET 26 Cb -0.15 -4.70 -0.04 0.00 2.84 0.00 0.00 34.83 32.78 2pqe s MET 26 CO 0.02 -2.60 0.24 -0.47 -0.65 0.00 0.00 175.02 171.56 2pqe s TYR 27 N 7.46 3.53 -0.49 4.11 6.14 0.88 -2.44 117.35 136.55 2pqe s TYR 27 Ca 0.54 0.40 0.00 0.00 0.64 0.00 0.00 57.07 58.65 2pqe s TYR 27 Cb -0.07 -1.87 0.00 0.00 0.42 0.00 0.00 41.96 40.44 2pqe s TYR 27 CO 0.07 0.59 0.00 0.36 0.64 0.00 0.00 175.55 177.21 2pqe n LYS 28 N 0.63 -2.33 -0.83 4.97 2.85 -1.26 0.12 118.16 122.32 2pqe n LYS 28 Ca -0.08 0.27 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 2pqe n LYS 28 Cb 0.52 -4.72 0.00 0.00 -0.65 0.00 0.00 35.03 30.18 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 -0.52 0.50 2.90 2.58 0.00 -1.26 -5.05 105.19 104.33 2pqe n GLY 29 Ca -0.06 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 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 0.53 -0.69 1.61 -2.07 0.33 -5.09 119.66 112.77 2pqe s GLN 30 Ca 0.00 -0.09 -0.27 0.00 -1.82 0.00 0.00 55.36 53.18 2pqe s GLN 30 Cb 0.00 -0.57 0.00 0.00 -1.09 0.00 0.00 33.01 31.35 2pqe s GLN 30 CO 0.00 -0.02 1.57 0.00 -1.32 0.00 0.00 175.29 175.53 2pqe s ALA 31 N 0.52 2.45 0.17 2.60 0.00 -1.26 -0.08 121.76 126.15 2pqe s ALA 31 Ca -0.06 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 50.92 2pqe s ALA 31 Cb -0.09 -4.30 -0.04 0.00 0.00 0.00 0.00 23.12 18.69 2pqe s ALA 31 CO -0.00 -3.63 -0.12 0.00 0.00 0.00 0.00 175.76 172.01 2pqe s MET 32 N 6.36 1.99 -0.50 0.00 0.00 -1.00 -4.95 119.30 121.21 2pqe s MET 32 Ca 0.51 -1.25 -0.29 0.00 0.00 0.00 0.00 55.69 54.66 2pqe s MET 32 Cb -0.10 -2.14 0.03 0.00 0.00 0.00 0.00 34.83 32.62 2pqe s MET 32 CO 0.16 0.44 1.17 0.99 0.00 0.00 0.00 175.02 177.79 2pqe s THR 33 N -1.58 4.14 0.02 3.16 2.01 -1.26 -0.74 115.64 121.37 2pqe s THR 33 Ca 0.23 1.13 -0.09 0.00 0.31 0.00 0.00 61.69 63.27 2pqe s THR 33 Cb -0.09 -4.60 -0.05 0.00 0.01 0.00 0.00 72.50 67.77 2pqe s THR 33 CO 0.14 -1.07 0.32 -0.36 -0.69 0.00 0.00 174.62 172.97 2pqe s PHE 34 N 4.66 3.61 -0.00 4.92 0.40 0.41 -1.88 117.98 130.10 2pqe s PHE 34 Ca 0.48 0.71 0.05 0.00 -0.60 0.00 0.00 56.93 57.58 2pqe s PHE 34 Cb -0.08 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.35 2pqe s PHE 34 CO 0.31 0.60 -0.17 1.03 0.70 0.00 0.00 175.22 177.69 2pqe s ARG 35 N -1.60 1.32 0.06 0.44 0.52 -1.17 0.80 118.95 119.31 2pqe s ARG 35 Ca 0.27 -0.64 -0.31 0.00 -0.52 0.00 0.00 55.73 54.54 2pqe s ARG 35 Cb -0.14 -1.29 -0.07 0.00 0.52 0.00 0.00 34.95 33.97 2pqe s ARG 35 CO 0.15 0.35 1.42 -1.17 0.02 0.00 0.00 175.30 176.07 2pqe s LEU 36 N -0.52 4.35 -0.04 2.53 0.20 -0.18 0.12 118.68 125.13 2pqe s LEU 36 Ca 0.06 2.25 -0.30 0.00 0.69 0.00 0.00 54.13 56.84 2pqe s LEU 36 Cb -0.07 -3.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.09 2pqe s LEU 36 CO -0.00 -0.70 1.06 -0.22 -0.29 0.00 0.00 176.35 176.19 2pqe s LEU 37 N 1.79 4.30 -1.54 -0.68 0.20 -0.23 -3.49 118.68 119.03 2pqe s LEU 37 Ca 0.65 1.68 -0.01 0.00 0.69 0.00 0.00 54.13 57.15 2pqe s LEU 37 Cb -0.35 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 41.85 2pqe s LEU 37 CO 0.29 -0.42 0.10 0.18 -0.29 0.00 0.00 176.35 176.21 2pqe n LEU 38 N 4.58 -1.98 -3.83 -0.68 4.77 -1.26 -4.79 117.00 113.80 2pqe n LEU 38 Ca 0.08 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 2pqe n LEU 38 Cb 0.49 -2.66 -0.11 0.00 -2.33 0.00 0.00 43.42 38.80 2pqe n LEU 38 CO 0.53 -0.12 -0.15 -0.69 -1.33 0.00 0.00 177.39 175.63 2pqe s VAL 39 N -2.96 0.04 -0.19 4.08 1.01 -1.23 -2.46 120.40 118.70 2pqe s VAL 39 Ca 0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2pqe s VAL 39 Cb -0.02 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 36.06 2pqe s VAL 39 CO 0.06 -0.18 0.08 -0.62 0.00 0.00 0.00 175.10 174.44 2pqe s ASP 40 N -0.63 2.65 -0.95 3.32 -1.08 -0.66 -4.59 116.67 114.74 2pqe s ASP 40 Ca -0.07 -0.75 -0.01 0.00 -0.52 0.00 0.00 52.55 51.20 2pqe s ASP 40 Cb -0.04 -0.37 0.31 0.00 -1.46 0.00 0.00 42.92 41.35 2pqe s ASP 40 CO 0.01 -0.35 1.44 0.41 0.52 0.00 0.00 175.17 177.21 2pqe n THR 41 N 5.20 4.96 0.00 1.71 -1.04 -1.26 0.71 114.28 124.55 2pqe n THR 41 Ca -0.07 -5.83 0.00 0.00 -2.04 0.00 0.00 64.05 56.11 2pqe n THR 41 Cb 0.48 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 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 0.65 0.00 -2.07 2.41 0.00 -1.26 -4.34 120.51 115.90 2pqe n ALA 42 Ca 0.34 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.79 2pqe n ALA 42 Cb 0.33 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 1.24 -1.89 0.00 4.07 -1.26 -4.99 120.64 117.81 2pqe n GLU 43 Ca 0.00 -2.94 -0.27 0.00 -0.06 0.00 0.00 57.16 53.89 2pqe n GLU 43 Cb 0.00 -1.11 -0.07 0.00 -0.06 0.00 0.00 31.44 30.20 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 -0.45 1.54 -0.76 6.31 -1.04 -1.26 -4.65 114.28 113.96 2pqe n THR 44 Ca 0.16 -1.58 -0.04 0.00 -2.04 0.00 0.00 64.05 60.55 2pqe n THR 44 Cb 0.89 -2.15 0.28 0.00 -1.82 0.00 0.00 70.33 67.54 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 8.16 3.58 -0.46 -2.82 2.85 -1.26 -4.94 118.16 123.27 2pqe n LYS 45 Ca 0.45 -2.70 0.00 0.00 -1.05 0.00 0.00 58.31 55.00 2pqe n LYS 45 Cb 0.46 -2.12 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 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 0.02 -0.30 -2.63 5.58 -0.00 -1.26 -5.08 115.22 111.55 2pqe n HIS 46 Ca 0.34 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.43 2pqe n HIS 46 Cb 1.24 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 31.15 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 0.00 1.49 0.38 3.57 -1.04 -1.26 -4.92 114.28 112.50 2pqe n THR 47 Ca 0.00 -3.35 -0.18 0.00 -2.04 0.00 0.00 64.05 58.48 2pqe n THR 47 Cb 0.00 0.51 -0.09 0.00 -1.82 0.00 0.00 70.33 68.93 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 2.65 -0.96 0.00 -2.82 3.11 -2.00 -3.46 116.57 113.09 2pqe h LYS 48 Ca -0.01 0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 2pqe h LYS 48 Cb 1.25 0.22 0.00 0.00 -1.00 0.00 0.00 32.23 32.70 2pqe h LYS 48 CO 0.42 -0.64 0.00 0.36 -2.81 0.00 0.00 179.45 176.78 2pqe n LYS 49 N -5.53 0.00 0.00 1.90 -0.00 -1.26 -5.02 118.16 108.24 2pqe n LYS 49 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 2pqe n LYS 49 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.45 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 -0.68 0.24 0.28 2.58 0.00 -1.26 -4.98 105.19 101.37 2pqe n GLY 50 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 2.00 -0.14 1.61 3.14 -1.26 -2.92 118.33 120.76 2pqe n VAL 51 Ca 0.00 -2.35 0.24 0.00 -2.96 0.00 0.00 64.34 59.27 2pqe n VAL 51 Cb 0.00 -0.25 0.66 0.00 -1.06 0.00 0.00 33.84 33.20 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 0.40 0.10 0.00 1.45 9.09 -1.96 -2.77 114.58 120.89 2pqe h GLU 52 Ca 0.01 -0.01 -0.16 0.00 0.05 0.00 0.00 59.36 59.25 2pqe h GLU 52 Cb 1.08 -0.02 -0.34 0.00 -1.65 0.00 0.00 28.75 27.82 2pqe h GLU 52 CO 0.04 0.06 -0.92 1.63 0.05 0.00 0.00 179.01 179.88 2pqe n LYS 53 N -4.35 0.00 -2.84 1.06 4.76 -1.26 -4.98 118.16 110.54 2pqe n LYS 53 Ca 0.16 -1.82 -0.21 0.00 -2.87 0.00 0.00 58.31 53.57 2pqe n LYS 53 Cb 0.79 0.03 0.02 0.00 -1.84 0.00 0.00 35.03 34.04 2pqe n LYS 53 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2pqe n TYR 54 N 0.41 -1.66 0.06 2.13 4.01 -1.05 -4.38 117.16 116.68 2pqe n TYR 54 Ca 0.02 0.39 -0.13 0.00 -0.16 0.00 0.00 57.90 58.02 2pqe n TYR 54 Cb 1.07 -4.23 -0.09 0.00 -0.31 0.00 0.00 39.34 35.79 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 -1.03 -0.15 0.70 2.72 0.00 -1.84 0.80 103.07 104.26 2pqe h GLY 55 Ca -0.50 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 2pqe h GLY 55 CO 0.55 -0.06 -0.08 0.00 0.00 0.00 0.00 176.54 176.95 2pqe h ALA 56 N 0.40 0.17 -0.19 3.60 0.00 -1.88 -3.04 119.26 118.31 2pqe h ALA 56 Ca -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2pqe h ALA 56 Cb 0.36 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2pqe h ALA 56 CO 0.02 -0.02 0.09 1.49 0.00 0.00 0.00 179.25 180.83 2pqe h GLU 57 N -0.12 0.26 -0.27 0.00 4.81 -1.84 -2.18 114.58 115.25 2pqe h GLU 57 Ca 0.02 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2pqe h GLU 57 Cb 0.57 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2pqe h GLU 57 CO 0.02 0.21 0.01 0.00 -0.73 0.00 0.00 179.01 178.52 2pqe h ALA 58 N 1.83 0.25 -0.31 2.92 0.00 -0.71 -0.74 119.26 122.50 2pqe h ALA 58 Ca 0.07 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2pqe h ALA 58 Cb 0.04 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2pqe h ALA 58 CO -0.01 -0.41 -0.36 0.77 0.00 0.00 0.00 179.25 179.25 2pqe h SER 59 N 0.09 0.74 -1.01 0.00 0.02 -1.45 -2.67 113.55 109.28 2pqe h SER 59 Ca 0.13 -0.32 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 2pqe h SER 59 Cb 0.16 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.43 2pqe h SER 59 CO -0.21 1.03 0.66 0.00 -1.14 0.00 0.00 176.83 177.16 2pqe h ALA 60 N 1.01 1.37 -0.26 3.77 0.00 -0.78 0.50 119.26 124.87 2pqe h ALA 60 Ca 0.06 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2pqe h ALA 60 Cb 0.88 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2pqe h ALA 60 CO 0.08 0.51 -0.52 0.35 0.00 0.00 0.00 179.25 179.67 2pqe h PHE 61 N 1.24 1.02 -0.07 0.00 3.04 -1.03 -2.23 116.94 118.89 2pqe h PHE 61 Ca 0.42 -0.37 -0.20 0.00 3.98 0.00 0.00 57.97 61.80 2pqe h PHE 61 Cb 0.07 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.39 2pqe h PHE 61 CO -0.00 1.18 -0.78 1.15 -2.02 0.00 0.00 178.31 177.84 2pqe h THR 62 N 0.56 1.37 -0.22 4.41 2.02 -1.09 -1.91 112.91 118.05 2pqe h THR 62 Ca 0.01 -2.18 -0.20 0.00 0.77 0.00 0.00 66.41 64.81 2pqe h THR 62 Cb 1.13 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 2pqe h THR 62 CO 0.12 0.66 -0.64 0.07 0.37 0.00 0.00 175.52 176.09 2pqe h LYS 63 N 0.31 0.80 0.01 6.66 5.09 -0.05 -1.72 116.57 127.67 2pqe h LYS 63 Ca -0.05 -0.57 -0.23 0.00 0.09 0.00 0.00 60.65 59.90 2pqe h LYS 63 Cb 1.38 0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.80 2pqe h LYS 63 CO 0.14 1.19 -0.95 1.57 -2.09 0.00 0.00 179.45 179.31 2pqe h LYS 64 N 0.59 0.40 -0.17 0.07 5.09 -1.46 -1.35 116.57 119.73 2pqe h LYS 64 Ca -0.01 -0.43 -0.16 0.00 0.09 0.00 0.00 60.65 60.13 2pqe h LYS 64 Cb 1.25 0.13 -0.01 0.00 0.10 0.00 0.00 32.23 33.70 2pqe h LYS 64 CO 0.14 1.10 -0.57 1.98 -2.09 0.00 0.00 179.45 180.01 2pqe h MET 65 N 0.22 0.54 0.15 0.07 4.05 -1.38 0.16 114.93 118.73 2pqe h MET 65 Ca -0.08 -0.35 -0.29 0.00 -0.28 0.00 0.00 59.70 58.71 2pqe h MET 65 Cb 1.59 0.04 0.02 0.00 -0.80 0.00 0.00 31.60 32.45 2pqe h MET 65 CO 0.16 0.95 -1.27 -0.39 0.23 0.00 0.00 176.91 176.60 2pqe h VAL 66 N 0.41 1.40 0.13 -5.77 -1.51 -1.35 -1.61 116.25 107.95 2pqe h VAL 66 Ca 0.00 -2.80 -0.28 0.00 -1.23 0.00 0.00 66.70 62.40 2pqe h VAL 66 Cb 1.11 2.87 0.01 0.00 -2.13 0.00 0.00 31.29 33.14 2pqe h VAL 66 CO 0.11 0.83 -1.25 1.05 -1.23 0.00 0.00 177.57 177.08 2pqe h GLU 67 N 0.14 0.28 0.00 5.19 -0.00 -1.26 -3.30 114.58 115.63 2pqe h GLU 67 Ca -0.17 -0.48 -0.13 0.00 -0.00 0.00 0.00 59.36 58.59 2pqe h GLU 67 Cb 1.97 0.18 -0.02 0.00 -0.00 0.00 0.00 28.75 30.88 2pqe h GLU 67 CO 0.22 1.23 -0.67 -0.97 -0.00 0.00 0.00 179.01 178.83 2pqe h ASN 68 N 0.08 0.00 -0.71 3.06 -0.73 -0.79 -3.28 115.58 113.21 2pqe h ASN 68 Ca -0.14 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.03 2pqe h ASN 68 Cb 1.98 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 40.53 2pqe h ASN 68 CO 0.21 0.59 0.43 0.00 -0.37 0.00 0.00 177.43 178.29 2pqe h ALA 69 N 1.41 1.40 0.00 1.57 0.00 -1.36 -3.46 119.26 118.81 2pqe h ALA 69 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2pqe h ALA 69 Cb 1.47 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2pqe h ALA 69 CO 0.07 0.51 0.00 1.63 0.00 0.00 0.00 179.25 181.47 2pqe n LYS 70 N -4.39 0.00 -4.12 0.00 5.02 -1.24 -4.20 118.16 109.23 2pqe n LYS 70 Ca 0.07 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.07 2pqe n LYS 70 Cb 0.07 -0.02 -0.17 0.00 -0.02 0.00 0.00 35.03 34.89 2pqe n LYS 70 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2pqe s LYS 71 N -0.01 2.11 -0.11 1.97 3.01 -1.26 -4.96 119.74 120.49 2pqe s LYS 71 Ca 0.00 -0.50 0.03 0.00 -1.01 0.00 0.00 55.97 54.49 2pqe s LYS 71 Cb 0.00 -1.93 0.01 0.00 -1.01 0.00 0.00 37.83 34.89 2pqe s LYS 71 CO 0.00 -0.19 -0.20 0.42 0.51 0.00 0.00 175.35 175.89 2pqe s ILE 72 N 1.39 1.79 0.10 2.17 1.09 -1.26 0.13 121.20 126.60 2pqe s ILE 72 Ca 0.02 -0.84 0.07 0.00 -1.10 0.00 0.00 60.65 58.80 2pqe s ILE 72 Cb -0.13 -1.58 -0.03 0.00 -1.06 0.00 0.00 42.46 39.65 2pqe s ILE 72 CO -0.08 0.50 -0.18 -1.61 -0.10 0.00 0.00 174.94 173.47 2pqe s GLU 73 N 0.69 1.02 0.11 2.79 2.02 -0.38 -2.60 118.70 122.35 2pqe s GLU 73 Ca -0.12 -1.11 0.10 0.00 0.02 0.00 0.00 54.97 53.87 2pqe s GLU 73 Cb -0.16 -1.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.87 2pqe s GLU 73 CO 0.02 0.26 -0.26 0.14 0.02 0.00 0.00 175.26 175.45 2pqe s VAL 74 N -1.30 2.13 -0.13 2.63 -7.23 -0.97 -1.36 120.40 114.16 2pqe s VAL 74 Ca 0.04 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 2pqe s VAL 74 Cb -0.09 -1.88 0.04 0.00 0.56 0.00 0.00 36.38 35.00 2pqe s VAL 74 CO 0.04 0.11 0.00 -0.70 -0.31 0.00 0.00 175.10 174.24 2pqe s GLU 75 N -1.89 0.76 0.15 4.82 2.12 -0.61 -0.43 118.70 123.62 2pqe s GLU 75 Ca 0.12 -0.17 -0.11 0.00 0.36 0.00 0.00 54.97 55.18 2pqe s GLU 75 Cb -0.10 -1.53 -0.07 0.00 0.26 0.00 0.00 34.13 32.70 2pqe s GLU 75 CO 0.05 -0.44 0.49 -0.06 -0.54 0.00 0.00 175.26 174.76 2pqe s PHE 76 N 1.88 3.53 0.00 5.30 0.40 -1.26 -0.94 117.98 126.89 2pqe s PHE 76 Ca 0.02 0.87 0.00 0.00 -0.60 0.00 0.00 56.93 57.23 2pqe s PHE 76 Cb -0.14 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.15 2pqe s PHE 76 CO -0.07 0.41 0.00 -3.47 0.70 0.00 0.00 175.22 172.79 2pqe n ASP 77 N 0.48 0.00 -0.59 1.36 2.03 -1.26 -4.98 116.55 113.58 2pqe n ASP 77 Ca -0.04 -0.55 0.07 0.00 0.52 0.00 0.00 54.79 54.79 2pqe n ASP 77 Cb 0.52 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.12 2pqe n ASP 77 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2pqe n LYS 78 N -0.55 1.75 0.00 -0.67 4.01 -1.26 -4.87 118.16 116.57 2pqe n LYS 78 Ca 0.00 -1.16 0.00 0.00 -0.51 0.00 0.00 58.31 56.64 2pqe n LYS 78 Cb 0.00 -1.29 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 2pqe n LYS 78 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2pqe n GLY 79 N 1.05 1.40 3.76 0.72 0.00 -0.94 -4.70 105.19 106.48 2pqe n GLY 79 Ca 0.12 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 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 2.39 4.65 0.31 1.61 -2.07 -1.26 -4.84 119.66 120.46 2pqe s GLN 80 Ca 0.00 1.27 0.13 0.00 -1.82 0.00 0.00 55.36 54.94 2pqe s GLN 80 Cb 0.00 -3.31 0.49 0.00 -1.09 0.00 0.00 33.01 29.11 2pqe s GLN 80 CO 0.00 0.44 1.68 -0.09 -1.32 0.00 0.00 175.29 176.00 2pqe h ARG 81 N 4.76 0.00 -3.79 9.60 2.43 -1.90 -3.41 114.38 122.06 2pqe h ARG 81 Ca -0.45 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.15 2pqe h ARG 81 Cb 1.21 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 30.36 2pqe h ARG 81 CO 0.68 0.52 -0.77 0.95 -1.51 0.00 0.00 179.97 179.85 2pqe s THR 82 N -3.70 0.96 -0.78 0.20 -4.23 -1.23 -0.92 115.64 105.95 2pqe s THR 82 Ca -0.01 -1.09 -0.13 0.00 -1.18 0.00 0.00 61.69 59.28 2pqe s THR 82 Cb 0.13 -1.51 -0.10 0.00 1.34 0.00 0.00 72.50 72.35 2pqe s THR 82 CO 0.74 -0.36 1.95 -0.67 -0.54 0.00 0.00 174.62 175.74 2pqe n ASP 83 N 4.85 3.46 -2.43 3.99 -0.08 -1.26 -4.33 116.55 120.76 2pqe n ASP 83 Ca -0.07 -2.47 -0.08 0.00 -1.51 0.00 0.00 54.79 50.66 2pqe n ASP 83 Cb 0.44 -1.06 -0.00 0.00 2.34 0.00 0.00 41.12 42.84 2pqe n ASP 83 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2pqe n LYS 84 N 5.62 -2.48 -0.06 -0.67 5.02 -1.26 -4.74 118.16 119.59 2pqe n LYS 84 Ca 0.44 0.38 0.02 0.00 -2.02 0.00 0.00 58.31 57.13 2pqe n LYS 84 Cb 0.26 -4.93 0.03 0.00 -0.02 0.00 0.00 35.03 30.37 2pqe n LYS 84 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2pqe n TYR 85 N -3.01 0.00 -1.60 2.13 4.02 -1.26 -4.98 117.16 112.46 2pqe n TYR 85 Ca -0.09 -0.47 -0.17 0.00 -0.01 0.00 0.00 57.90 57.16 2pqe n TYR 85 Cb 0.56 -0.06 -0.06 0.00 -0.02 0.00 0.00 39.34 39.75 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 -0.56 1.34 3.74 2.72 0.00 -1.26 -4.94 105.19 106.23 2pqe n GLY 86 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.61 2.16 -0.89 1.61 0.52 -1.26 -4.92 118.95 112.56 2pqe s ARG 87 Ca 0.00 -2.06 -0.01 0.00 -0.52 0.00 0.00 55.73 53.14 2pqe s ARG 87 Cb 0.00 -1.81 0.22 0.00 0.52 0.00 0.00 34.95 33.88 2pqe s ARG 87 CO 0.00 -0.22 0.81 0.41 0.02 0.00 0.00 175.30 176.31 2pqe n GLY 88 N -1.25 4.21 3.73 -3.53 0.00 -0.79 -3.48 105.19 104.08 2pqe n GLY 88 Ca -0.06 -2.61 -0.40 0.00 0.00 0.00 0.00 46.02 42.95 2pqe n GLY 88 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2pqe n LEU 89 N 2.14 4.62 0.00 0.99 -0.00 -0.09 -3.03 117.00 121.63 2pqe n LEU 89 Ca 0.22 1.10 0.00 0.00 -0.00 0.00 0.00 56.01 57.33 2pqe n LEU 89 Cb 0.37 -1.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.24 2pqe n LEU 89 CO 0.38 -0.45 0.00 0.00 -0.00 0.00 0.00 177.39 177.31 2pqe n ALA 90 N -0.31 0.00 -2.68 1.47 0.00 0.33 -4.80 120.51 114.52 2pqe n ALA 90 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 2pqe n ALA 90 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 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 3.63 -0.17 0.00 2.02 -0.12 -1.07 117.35 119.65 2pqe s TYR 91 Ca 0.00 1.65 -0.09 0.00 -0.37 0.00 0.00 57.07 58.26 2pqe s TYR 91 Cb 0.00 -3.16 -0.05 0.00 -0.40 0.00 0.00 41.96 38.36 2pqe s TYR 91 CO 0.00 -0.16 0.14 0.42 -1.57 0.00 0.00 175.55 174.38 2pqe s ILE 92 N 1.02 5.44 -0.05 2.71 -1.09 -1.26 -1.58 121.20 126.39 2pqe s ILE 92 Ca 0.53 0.22 0.02 0.00 -2.23 0.00 0.00 60.65 59.19 2pqe s ILE 92 Cb -0.22 -3.45 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 2pqe s ILE 92 CO 0.28 0.51 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.11 2pqe s TYR 93 N -0.17 1.02 -0.10 3.97 1.51 -0.46 -1.24 117.35 121.87 2pqe s TYR 93 Ca 0.11 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 2pqe s TYR 93 Cb -0.12 -0.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.92 2pqe s TYR 93 CO 0.01 -0.19 -0.10 0.00 -1.11 0.00 0.00 175.55 174.16 2pqe s ALA 94 N 0.65 2.81 -1.76 3.71 0.00 0.57 -1.25 121.76 126.48 2pqe s ALA 94 Ca -0.11 -0.89 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 2pqe s ALA 94 Cb -0.13 -1.24 0.16 0.00 0.00 0.00 0.00 23.12 21.91 2pqe s ALA 94 CO 0.01 0.40 0.44 -3.47 0.00 0.00 0.00 175.76 173.14 2pqe n ASP 95 N 2.89 -1.10 -0.68 0.00 2.03 0.34 0.15 116.55 120.17 2pqe n ASP 95 Ca -0.18 -1.23 -0.07 0.00 0.52 0.00 0.00 54.79 53.83 2pqe n ASP 95 Cb 0.53 -1.73 -0.02 0.00 -0.72 0.00 0.00 41.12 39.18 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 -1.55 0.52 3.35 0.27 0.00 -1.26 -5.01 105.19 101.50 2pqe n GLY 96 Ca -0.03 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.46 1.32 -0.41 1.61 2.20 0.41 -5.11 119.74 116.31 2pqe s LYS 97 Ca 0.00 -1.41 -0.25 0.00 -0.36 0.00 0.00 55.97 53.95 2pqe s LYS 97 Cb 0.00 -1.47 0.02 0.00 -1.51 0.00 0.00 37.83 34.87 2pqe s LYS 97 CO 0.00 0.31 0.88 -1.64 -0.36 0.00 0.00 175.35 174.54 2pqe s MET 98 N -2.67 3.67 0.10 4.03 -1.94 -1.26 -0.32 119.30 120.91 2pqe s MET 98 Ca 0.16 0.30 -0.16 0.00 -1.71 0.00 0.00 55.69 54.28 2pqe s MET 98 Cb -0.07 -3.86 -0.07 0.00 2.01 0.00 0.00 34.83 32.84 2pqe s MET 98 CO 0.07 -1.04 1.47 0.28 -0.01 0.00 0.00 175.02 175.79 2pqe h VAL 99 N 5.91 1.29 -0.14 -6.03 2.07 -1.53 -1.70 116.25 116.13 2pqe h VAL 99 Ca -0.24 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.04 2pqe h VAL 99 Cb 1.08 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2pqe h VAL 99 CO 0.98 0.40 0.06 -0.55 0.02 0.00 0.00 177.57 178.48 2pqe h ASN 100 N 0.40 0.09 -0.62 0.57 -1.07 -1.92 -1.35 115.58 111.68 2pqe h ASN 100 Ca 0.07 0.01 -0.02 0.00 0.07 0.00 0.00 56.30 56.42 2pqe h ASN 100 Cb 0.68 -0.01 -0.03 0.00 -2.07 0.00 0.00 38.32 36.89 2pqe h ASN 100 CO 0.05 0.07 0.29 -0.33 0.07 0.00 0.00 177.43 177.58 2pqe h GLU 101 N 0.14 0.89 0.26 4.14 4.39 -1.91 -1.49 114.58 120.99 2pqe h GLU 101 Ca 0.06 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2pqe h GLU 101 Cb 0.02 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2pqe h GLU 101 CO -0.04 0.72 -0.22 0.00 -1.16 0.00 0.00 179.01 178.31 2pqe h ALA 102 N 1.12 -0.48 0.24 3.43 0.00 -1.02 0.92 119.26 123.47 2pqe h ALA 102 Ca 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pqe h ALA 102 Cb 0.13 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2pqe h ALA 102 CO -0.03 -0.79 -0.17 -0.07 0.00 0.00 0.00 179.25 178.20 2pqe h LEU 103 N -0.49 -0.42 -0.75 0.00 3.38 -1.17 0.23 115.31 116.08 2pqe h LEU 103 Ca -0.01 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2pqe h LEU 103 Cb 0.45 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2pqe h LEU 103 CO -0.03 -0.26 0.26 0.58 0.09 0.00 0.00 178.44 179.08 2pqe h VAL 104 N -0.40 1.26 0.00 1.22 2.07 -1.20 1.14 116.25 120.34 2pqe h VAL 104 Ca -0.02 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 2pqe h VAL 104 Cb 0.35 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2pqe h VAL 104 CO 0.01 0.35 -0.31 -0.09 0.02 0.00 0.00 177.57 177.55 2pqe h ARG 105 N 1.11 0.00 0.00 1.57 1.12 0.11 -3.01 114.38 115.28 2pqe h ARG 105 Ca 0.25 0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 58.93 2pqe h ARG 105 Cb 0.27 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.20 2pqe h ARG 105 CO -0.01 0.31 -1.79 1.04 -3.11 0.00 0.00 179.97 176.41 2pqe n GLN 106 N -3.67 0.65 0.00 0.20 3.00 0.80 -4.91 117.38 113.45 2pqe n GLN 106 Ca -0.01 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2pqe n GLN 106 Cb 0.42 -1.67 0.00 0.00 0.00 0.00 0.00 30.24 28.98 2pqe n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pqe n GLY 107 N 1.46 0.87 0.48 1.08 0.00 0.35 -4.35 105.19 105.07 2pqe n GLY 107 Ca -0.15 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.53 -4.57 0.99 7.99 0.14 -2.87 117.00 119.20 2pqe n LEU 108 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.70 2pqe n LEU 108 Cb 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.21 2pqe n LEU 108 CO 0.00 -0.02 -0.42 0.00 -1.51 0.00 0.00 177.39 175.45 2pqe s ALA 109 N -1.45 2.95 0.00 -1.18 0.00 -1.23 -4.39 121.76 116.46 2pqe s ALA 109 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2pqe s ALA 109 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2pqe s ALA 109 CO 0.00 0.64 0.00 0.36 0.00 0.00 0.00 175.76 176.76 2pqe n LYS 110 N 0.89 1.71 -3.64 0.00 -0.00 0.22 -3.97 118.16 113.36 2pqe n LYS 110 Ca -0.14 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.79 2pqe n LYS 110 Cb 0.52 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.44 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 0.73 4.88 0.00 0.58 1.01 -1.26 -1.66 120.40 124.69 2pqe s VAL 111 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2pqe s VAL 111 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2pqe s VAL 111 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.32 2pqe n ALA 112 N 5.01 0.00 -3.06 5.51 0.00 -1.03 -4.83 120.51 122.12 2pqe n ALA 112 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 2pqe n ALA 112 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 2pqe n ALA 112 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2pqe n TYR 113 N -1.75 -2.36 -1.60 0.00 4.11 -1.26 -4.89 117.16 109.41 2pqe n TYR 113 Ca 0.00 -2.35 -0.32 0.00 -0.00 0.00 0.00 57.90 55.23 2pqe n TYR 113 Cb 0.00 0.86 0.06 0.00 -0.00 0.00 0.00 39.34 40.26 2pqe n TYR 113 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2pqe s VAL 114 N 0.40 3.55 0.05 -3.48 1.01 -1.26 -4.98 120.40 115.69 2pqe s VAL 114 Ca 0.32 0.60 -0.25 0.00 0.00 0.00 0.00 61.98 62.64 2pqe s VAL 114 Cb 0.04 -3.16 -0.17 0.00 0.00 0.00 0.00 36.38 33.09 2pqe s VAL 114 CO -0.13 -0.57 1.53 1.88 0.00 0.00 0.00 175.10 177.81 2pqe h TYR 115 N -0.46 -0.17 0.00 5.22 -1.99 -2.01 -3.47 116.97 114.08 2pqe h TYR 115 Ca -0.45 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.28 2pqe h TYR 115 Cb 1.23 0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.01 2pqe h TYR 115 CO 0.58 0.04 0.00 0.36 -0.00 0.00 0.00 178.16 179.14 2pqe n LYS 116 N -5.09 0.00 -0.01 4.88 2.85 -1.26 -5.01 118.16 114.52 2pqe n LYS 116 Ca -0.09 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.07 2pqe n LYS 116 Cb 0.16 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.50 2pqe n LYS 116 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2pqe h GLY 117 N 0.00 -0.51 -7.58 2.58 0.00 -1.90 -3.27 103.07 92.39 2pqe h GLY 117 Ca 0.00 0.43 -0.72 0.00 0.00 0.00 0.00 47.33 47.04 2pqe h GLY 117 CO 0.00 -0.22 0.83 -1.31 0.00 0.00 0.00 176.54 175.84 2pqe s ASN 118 N -4.92 6.80 -0.41 0.19 -0.87 -1.26 -2.20 114.94 112.26 2pqe s ASN 118 Ca -0.15 -2.47 0.09 0.00 -1.57 0.00 0.00 52.86 48.76 2pqe s ASN 118 Cb 0.10 -2.36 0.36 0.00 -0.02 0.00 0.00 41.25 39.33 2pqe s ASN 118 CO 0.66 -0.87 1.12 0.59 -2.57 0.00 0.00 177.10 176.03 2pqe n ASN 119 N 5.72 -1.34 -0.11 -1.22 4.13 -1.24 -4.71 115.26 116.49 2pqe n ASN 119 Ca 0.26 -3.11 -0.15 0.00 1.68 0.00 0.00 54.58 53.26 2pqe n ASN 119 Cb 0.47 1.01 -0.10 0.00 -1.54 0.00 0.00 39.78 39.61 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2pqe n THR 120 N 0.00 1.25 -0.86 3.41 -1.04 -1.26 -4.51 114.28 111.28 2pqe n THR 120 Ca 0.06 -0.50 0.08 0.00 -2.04 0.00 0.00 64.05 61.65 2pqe n THR 120 Cb 0.75 -1.22 0.33 0.00 -1.82 0.00 0.00 70.33 68.37 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 -3.11 1.45 -0.04 -1.42 8.25 -1.26 -4.60 115.22 114.49 2pqe n HIS 121 Ca -0.38 -0.76 0.24 0.00 -0.26 0.00 0.00 57.72 56.56 2pqe n HIS 121 Cb 0.92 -0.37 0.71 0.00 1.12 0.00 0.00 29.99 32.37 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 3.01 0.00 -0.61 -0.41 4.81 -1.93 0.24 114.58 119.69 2pqe h GLU 122 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 2pqe h GLU 122 Cb 1.62 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.98 2pqe h GLU 122 CO 0.32 0.00 0.02 0.37 -0.73 0.00 0.00 179.01 178.99 2pqe h GLN 123 N 0.00 1.07 -0.43 1.92 5.75 -1.94 -0.53 115.11 120.94 2pqe h GLN 123 Ca 0.31 -0.33 -0.14 0.00 -0.15 0.00 0.00 58.65 58.34 2pqe h GLN 123 Cb 1.53 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.97 2pqe h GLN 123 CO -0.00 1.03 -0.29 -0.07 -2.65 0.00 0.00 178.83 176.85 2pqe h LEU 124 N 0.97 0.99 -0.66 -2.39 3.38 -0.90 -0.11 115.31 116.59 2pqe h LEU 124 Ca 0.18 -0.41 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 2pqe h LEU 124 Cb 0.54 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2pqe h LEU 124 CO 0.03 1.20 -0.37 -0.07 0.09 0.00 0.00 178.44 179.32 2pqe h LEU 125 N 0.80 0.67 -0.12 1.67 -0.00 -1.35 -2.09 115.31 114.89 2pqe h LEU 125 Ca 0.09 -0.29 -0.22 0.00 -0.00 0.00 0.00 57.88 57.46 2pqe h LEU 125 Cb 0.87 -0.19 0.01 0.00 -0.00 0.00 0.00 40.66 41.35 2pqe h LEU 125 CO 0.08 0.97 -0.79 0.03 -0.00 0.00 0.00 178.44 178.73 2pqe h ARG 126 N 0.53 0.75 0.06 1.13 2.47 -1.00 -1.95 114.38 116.38 2pqe h ARG 126 Ca 0.05 -0.65 -0.00 0.00 -1.26 0.00 0.00 59.98 58.12 2pqe h ARG 126 Cb 0.87 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 2pqe h ARG 126 CO 0.08 1.25 -0.03 0.87 0.56 0.00 0.00 179.97 182.69 2pqe h LYS 127 N 0.47 -0.08 -0.55 0.04 6.56 -0.97 0.68 116.57 122.71 2pqe h LYS 127 Ca -0.06 0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.47 2pqe h LYS 127 Cb 1.43 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 33.08 2pqe h LYS 127 CO 0.16 0.05 0.09 1.03 -2.06 0.00 0.00 179.45 178.72 2pqe h SER 128 N -0.19 0.84 -0.12 0.86 0.87 -1.46 -1.87 113.55 112.48 2pqe h SER 128 Ca -0.01 -0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.27 2pqe h SER 128 Cb 0.16 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2pqe h SER 128 CO 0.01 0.85 -0.33 -0.08 -0.53 0.00 0.00 176.83 176.76 2pqe h GLU 129 N 0.84 0.43 -0.90 2.24 4.81 -1.15 -2.47 114.58 118.38 2pqe h GLU 129 Ca 0.17 -0.31 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2pqe h GLU 129 Cb 0.38 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 2pqe h GLU 129 CO 0.01 0.92 0.58 0.00 -0.73 0.00 0.00 179.01 179.79 2pqe h ALA 130 N 0.51 1.20 -0.47 2.92 0.00 0.48 0.65 119.26 124.55 2pqe h ALA 130 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2pqe h ALA 130 Cb 0.94 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2pqe h ALA 130 CO 0.07 0.40 -0.18 1.96 0.00 0.00 0.00 179.25 181.50 2pqe h GLN 131 N 1.10 0.93 -0.01 0.00 1.08 -1.36 -0.10 115.11 116.75 2pqe h GLN 131 Ca 0.37 -0.37 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 2pqe h GLN 131 Cb 0.05 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2pqe h GLN 131 CO -0.14 1.03 -0.88 0.00 -0.95 0.00 0.00 178.83 177.90 2pqe h ALA 132 N 0.97 0.46 0.05 3.87 0.00 -0.90 -2.27 119.26 121.45 2pqe h ALA 132 Ca 0.12 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 2pqe h ALA 132 Cb 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2pqe h ALA 132 CO 0.06 0.84 -0.02 -0.22 0.00 0.00 0.00 179.25 179.90 2pqe h LYS 133 N 0.20 -0.07 -0.78 0.00 3.11 0.39 0.89 116.57 120.30 2pqe h LYS 133 Ca -0.06 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 2pqe h LYS 133 Cb 1.50 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.70 2pqe h LYS 133 CO 0.15 0.44 0.44 1.57 -2.81 0.00 0.00 179.45 179.24 2pqe h LYS 134 N -0.62 1.09 0.00 1.90 2.10 -1.11 -2.51 116.57 117.42 2pqe h LYS 134 Ca -0.01 -0.12 -0.05 0.00 -2.00 0.00 0.00 60.65 58.46 2pqe h LYS 134 Cb 0.54 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 31.65 2pqe h LYS 134 CO 0.01 0.80 -0.51 0.93 -2.00 0.00 0.00 179.45 178.69 2pqe h GLU 135 N 1.08 0.00 -5.04 0.07 5.08 -1.45 -3.49 114.58 110.83 2pqe h GLU 135 Ca 0.28 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.48 2pqe h GLU 135 Cb 0.02 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.40 2pqe h GLU 135 CO -0.05 0.20 -0.55 1.63 -1.00 0.00 0.00 179.01 179.25 2pqe n LYS 136 N -3.04 -1.70 0.00 2.33 4.76 0.30 -4.99 118.16 115.81 2pqe n LYS 136 Ca 0.01 0.88 0.00 0.00 -2.87 0.00 0.00 58.31 56.33 2pqe n LYS 136 Cb 0.64 -5.13 0.00 0.00 -1.84 0.00 0.00 35.03 28.70 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 -2.64 0.09 0.00 -0.35 4.77 -0.55 -4.53 117.00 113.79 2pqe n LEU 137 Ca -0.04 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2pqe n LEU 137 Cb 0.58 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2pqe n LEU 137 CO 0.48 -0.22 0.00 0.59 -1.33 0.00 0.00 177.39 176.92 2pqe n ASN 138 N -1.15 0.00 -0.32 -1.43 5.03 -1.26 -4.75 115.26 111.39 2pqe n ASN 138 Ca 0.00 0.00 0.27 0.00 0.87 0.00 0.00 54.58 55.72 2pqe n ASN 138 Cb 0.00 0.00 0.59 0.00 -1.02 0.00 0.00 39.78 39.35 2pqe n ASN 138 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.26 175.59 2pqe h ILE 139 N 0.00 0.48 -0.81 2.41 3.07 -1.84 0.80 117.51 121.62 2pqe h ILE 139 Ca 0.00 -0.09 -0.38 0.00 1.55 0.00 0.00 64.86 65.94 2pqe h ILE 139 Cb 0.00 0.20 -0.23 0.00 -0.27 0.00 0.00 36.82 36.52 2pqe h ILE 139 CO 0.00 0.05 0.49 0.79 -1.05 0.00 0.00 178.15 178.42 2pqe n TRP 140 N -4.49 2.54 -1.33 0.16 5.03 -1.26 -4.34 117.44 113.75 2pqe n TRP 140 Ca 0.25 -1.52 -0.14 0.00 3.03 0.00 0.00 57.50 59.13 2pqe n TRP 140 Cb 0.99 -0.80 0.19 0.00 -1.03 0.00 0.00 31.31 30.67 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 -0.71 3.18 -1.43 -0.99 2.88 0.28 -4.35 113.62 112.48 2pqe n SER 141 Ca 0.48 -3.68 -0.01 0.00 -1.33 0.00 0.00 58.87 54.33 2pqe n SER 141 Cb 1.46 -0.74 0.02 0.00 -0.75 0.00 0.00 64.21 64.19 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 -1.10 0.23 -3.46 -1.46 0.00 -1.26 -5.03 120.64 108.55 2pqe n GLU 142 Ca 0.47 -0.27 -0.37 0.00 0.00 0.00 0.00 57.16 56.99 2pqe n GLU 142 Cb 1.37 0.22 -0.07 0.00 0.00 0.00 0.00 31.44 32.95 2pqe n GLU 142 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2pqe s ASP 143 N -0.25 6.47 -0.13 -1.84 -1.08 -1.26 -5.04 116.67 113.53 2pqe s ASP 143 Ca 0.01 0.55 -0.34 0.00 -0.52 0.00 0.00 52.55 52.26 2pqe s ASP 143 Cb 0.07 -2.21 0.14 0.00 -1.46 0.00 0.00 42.92 39.46 2pqe s ASP 143 CO -0.02 0.04 1.29 0.54 0.52 0.00 0.00 175.17 177.54 2pqe s ASN 144 N 0.65 -0.07 -0.06 -0.34 2.20 -1.26 -5.06 114.94 111.00 2pqe s ASN 144 Ca 0.19 -0.05 -0.25 0.00 -0.94 0.00 0.00 52.86 51.80 2pqe s ASN 144 Cb -0.14 0.11 -0.24 0.00 -2.00 0.00 0.00 41.25 38.99 2pqe s ASN 144 CO 0.06 -0.19 1.00 0.00 -2.94 0.00 0.00 177.10 175.03 2pqe h ALA 145 N 2.00 0.02 -3.89 3.54 0.00 -2.05 -3.45 119.26 115.43 2pqe h ALA 145 Ca -0.18 -0.45 -0.68 0.00 0.00 0.00 0.00 54.91 53.60 2pqe h ALA 145 Cb 1.17 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 2pqe h ALA 145 CO 0.25 0.03 -0.80 -0.51 0.00 0.00 0.00 179.25 178.22 2pqe s ASP 146 N -6.23 3.86 -0.24 0.00 1.01 -1.26 -5.04 116.67 108.78 2pqe s ASP 146 Ca -0.16 -0.45 0.06 0.00 0.71 0.00 0.00 52.55 52.71 2pqe s ASP 146 Cb 0.00 -0.61 -0.19 0.00 1.01 0.00 0.00 42.92 43.13 2pqe s ASP 146 CO 0.72 0.23 -0.15 -1.20 0.21 0.00 0.00 175.17 174.99 2pqe n SER 147 N 1.34 1.49 -0.06 0.27 7.64 -1.26 -5.08 113.62 117.95 2pqe n SER 147 Ca -0.16 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.62 2pqe n SER 147 Cb 0.52 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2pqe n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pqe n GLY 148 N 2.14 3.01 4.00 0.23 0.00 -1.26 -5.21 105.19 108.09 2pqe n GLY 148 Ca -0.42 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2pqe n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26