#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqe s THR 2 N 0.00 0.00 0.29 0.00 -1.32 -1.26 -5.14 115.64 108.21 2pqe s THR 2 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 2pqe s THR 2 Cb 0.00 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.88 2pqe s THR 2 CO 0.00 0.00 1.56 -0.44 -2.21 0.00 0.00 174.62 173.53 2pqe s SER 3 N -1.86 6.42 0.38 8.08 0.01 -1.26 -5.00 113.70 120.47 2pqe s SER 3 Ca -0.03 2.90 -0.04 0.00 1.31 0.00 0.00 55.95 60.09 2pqe s SER 3 Cb -0.01 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 2pqe s SER 3 CO -0.01 -0.87 0.65 0.42 0.41 0.00 0.00 173.24 173.83 2pqe s THR 4 N -0.05 4.98 -0.41 1.44 -4.23 -1.26 -4.68 115.64 111.43 2pqe s THR 4 Ca 0.62 0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 61.01 2pqe s THR 4 Cb -0.47 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 69.58 2pqe s THR 4 CO 0.48 -0.57 0.53 0.29 -0.54 0.00 0.00 174.62 174.81 2pqe n LYS 5 N -1.61 -2.50 -1.25 3.99 5.02 -1.26 -4.93 118.16 115.63 2pqe n LYS 5 Ca -0.01 2.19 -0.24 0.00 -2.02 0.00 0.00 58.31 58.23 2pqe n LYS 5 Cb 0.55 -5.63 0.14 0.00 -0.02 0.00 0.00 35.03 30.07 2pqe n LYS 5 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2pqe n LYS 6 N -0.19 2.41 -3.38 1.97 4.81 -1.26 -4.79 118.16 117.73 2pqe n LYS 6 Ca 0.11 -3.23 -0.17 0.00 -0.87 0.00 0.00 58.31 54.14 2pqe n LYS 6 Cb 0.41 -2.15 -0.09 0.00 0.02 0.00 0.00 35.03 33.22 2pqe n LYS 6 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2pqe s LEU 7 N -3.48 -0.11 0.35 3.14 2.96 -1.26 -5.15 118.68 115.13 2pqe s LEU 7 Ca 0.57 -1.18 0.07 0.00 -0.22 0.00 0.00 54.13 53.36 2pqe s LEU 7 Cb 0.47 0.50 -0.07 0.00 0.50 0.00 0.00 46.19 47.59 2pqe s LEU 7 CO 0.04 -0.33 -0.01 -1.38 -1.32 0.00 0.00 176.35 173.35 2pqe s HIS 8 N 1.89 2.25 0.35 5.38 -3.43 -1.26 -5.15 115.29 115.33 2pqe s HIS 8 Ca 0.13 -0.71 -0.06 0.00 -0.80 0.00 0.00 55.06 53.62 2pqe s HIS 8 Cb -0.15 -1.45 -0.05 0.00 -1.43 0.00 0.00 32.58 29.50 2pqe s HIS 8 CO -0.18 0.34 0.65 0.15 -2.00 0.00 0.00 174.74 173.70 2pqe s LYS 9 N -3.73 3.66 -0.30 -0.38 1.02 -1.26 -4.68 119.74 114.06 2pqe s LYS 9 Ca 0.34 0.16 -0.17 0.00 0.02 0.00 0.00 55.97 56.31 2pqe s LYS 9 Cb 0.07 -2.54 0.19 0.00 -0.52 0.00 0.00 37.83 35.03 2pqe s LYS 9 CO 0.16 0.08 1.20 -2.00 -0.92 0.00 0.00 175.35 173.87 2pqe s GLU 10 N -3.82 0.12 0.00 1.68 2.56 0.34 -4.79 118.70 114.79 2pqe s GLU 10 Ca 0.46 0.25 0.00 0.00 0.00 0.00 0.00 54.97 55.68 2pqe s GLU 10 Cb -0.10 0.09 0.00 0.00 2.00 0.00 0.00 34.13 36.12 2pqe s GLU 10 CO 0.32 -0.03 0.00 0.00 -0.56 0.00 0.00 175.26 174.99 2pqe n ALA 11 N 3.95 0.26 0.00 6.30 0.00 -1.26 -2.30 120.51 127.47 2pqe n ALA 11 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 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 -3.24 0.00 0.00 -1.00 -4.11 120.51 109.16 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 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2pqe n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pqe s THR 13 N 0.00 0.03 -0.31 0.00 2.01 -1.05 -4.13 115.64 112.19 2pqe s THR 13 Ca 0.00 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.61 2pqe s THR 13 Cb 0.00 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 2pqe s THR 13 CO 0.00 -0.14 0.29 -0.22 -0.69 0.00 0.00 174.62 173.86 2pqe s LEU 14 N -0.63 4.27 -0.01 4.42 1.98 -1.26 0.17 118.68 127.62 2pqe s LEU 14 Ca -0.07 -0.12 -0.21 0.00 -2.89 0.00 0.00 54.13 50.83 2pqe s LEU 14 Cb -0.04 -2.25 -0.12 0.00 0.66 0.00 0.00 46.19 44.44 2pqe s LEU 14 CO 0.03 -0.21 0.90 0.40 -1.89 0.00 0.00 176.35 175.57 2pqe h ILE 15 N 5.46 0.13 -1.16 6.68 5.03 -0.73 -3.47 117.51 129.45 2pqe h ILE 15 Ca -0.32 -0.52 0.18 0.00 -0.12 0.00 0.00 64.86 64.08 2pqe h ILE 15 Cb 1.16 0.21 -0.30 0.00 -3.03 0.00 0.00 36.82 34.85 2pqe h ILE 15 CO 0.63 0.03 0.83 -0.75 -0.68 0.00 0.00 178.15 178.21 2pqe s LYS 16 N -4.00 0.14 0.49 2.37 2.47 -1.02 -5.01 119.74 115.18 2pqe s LYS 16 Ca -0.11 0.13 -0.19 0.00 -1.56 0.00 0.00 55.97 54.23 2pqe s LYS 16 Cb 0.01 0.07 -0.08 0.00 -1.46 0.00 0.00 37.83 36.37 2pqe s LYS 16 CO 0.36 -0.03 1.00 0.00 0.16 0.00 0.00 175.35 176.85 2pqe s ALA 17 N -0.23 2.94 -0.16 3.13 0.00 -1.26 -0.54 121.76 125.64 2pqe s ALA 17 Ca 0.07 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 2pqe s ALA 17 Cb -0.04 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 2pqe s ALA 17 CO -0.12 -0.24 -0.16 -0.89 0.00 0.00 0.00 175.76 174.35 2pqe n ILE 18 N -1.15 0.89 -2.72 0.00 5.41 0.42 -4.85 119.36 117.35 2pqe n ILE 18 Ca 0.08 -0.30 -0.08 0.00 1.00 0.00 0.00 62.75 63.44 2pqe n ILE 18 Cb 0.53 -1.26 0.09 0.00 -0.71 0.00 0.00 39.64 38.30 2pqe n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2pqe n ASP 19 N -3.20 -1.33 0.00 4.38 2.03 -0.36 -4.97 116.55 113.10 2pqe n ASP 19 Ca -0.29 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.28 2pqe n ASP 19 Cb 0.77 0.86 0.00 0.00 -0.72 0.00 0.00 41.12 42.03 2pqe n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pqe n GLY 20 N -0.31 0.76 0.11 0.27 0.00 -1.26 -3.64 105.19 101.13 2pqe n GLY 20 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 0.43 -3.29 1.61 3.04 -1.92 -3.43 116.42 112.87 2pqe h ASP 21 Ca 0.00 -0.55 -0.69 0.00 -3.24 0.00 0.00 57.03 52.55 2pqe h ASP 21 Cb 0.00 -0.14 -0.18 0.00 -1.04 0.00 0.00 39.33 37.97 2pqe h ASP 21 CO 0.00 1.45 0.01 -0.89 -2.04 0.00 0.00 179.24 177.77 2pqe s THR 22 N -2.62 4.91 0.03 1.15 2.01 -1.24 -1.58 115.64 118.29 2pqe s THR 22 Ca -0.08 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.46 2pqe s THR 22 Cb 0.07 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 2pqe s THR 22 CO 0.87 -0.76 -0.11 0.68 -0.69 0.00 0.00 174.62 174.61 2pqe s VAL 23 N 2.54 0.86 -0.52 3.82 -7.23 0.36 0.16 120.40 120.39 2pqe s VAL 23 Ca 0.15 -0.84 -0.24 0.00 -1.81 0.00 0.00 61.98 59.24 2pqe s VAL 23 Cb -0.19 -0.79 0.04 0.00 0.56 0.00 0.00 36.38 35.99 2pqe s VAL 23 CO 0.12 -0.04 0.88 -0.54 -0.31 0.00 0.00 175.10 175.22 2pqe s LYS 24 N -0.99 3.34 -0.13 4.82 1.02 0.30 0.99 119.74 129.09 2pqe s LYS 24 Ca -0.01 -0.26 -0.01 0.00 0.02 0.00 0.00 55.97 55.71 2pqe s LYS 24 Cb -0.07 -4.03 -0.02 0.00 -0.52 0.00 0.00 37.83 33.19 2pqe s LYS 24 CO 0.01 -1.38 -0.10 -1.17 -0.92 0.00 0.00 175.35 171.79 2pqe s LEU 25 N 3.69 2.92 -0.67 3.17 0.20 0.02 0.04 118.68 128.06 2pqe s LEU 25 Ca 0.29 -0.24 -0.27 0.00 0.69 0.00 0.00 54.13 54.60 2pqe s LEU 25 Cb -0.13 -1.67 0.02 0.00 -0.43 0.00 0.00 46.19 43.98 2pqe s LEU 25 CO 0.20 0.19 1.34 -0.32 -0.29 0.00 0.00 176.35 177.46 2pqe s MET 26 N 0.23 3.22 -0.12 1.98 -2.45 0.45 -1.31 119.30 121.29 2pqe s MET 26 Ca -0.06 0.05 -0.05 0.00 -1.25 0.00 0.00 55.69 54.38 2pqe s MET 26 Cb -0.15 -4.16 -0.04 0.00 1.25 0.00 0.00 34.83 31.74 2pqe s MET 26 CO 0.04 -2.08 0.06 -0.47 1.05 0.00 0.00 175.02 173.63 2pqe s TYR 27 N 5.95 3.32 -0.15 4.11 5.04 0.37 -2.53 117.35 133.46 2pqe s TYR 27 Ca 0.42 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 2pqe s TYR 27 Cb -0.09 -1.91 0.00 0.00 0.35 0.00 0.00 41.96 40.31 2pqe s TYR 27 CO 0.19 0.47 0.00 0.36 -1.34 0.00 0.00 175.55 175.23 2pqe n LYS 28 N 2.46 -2.80 -0.35 4.97 0.00 -1.26 0.11 118.16 121.29 2pqe n LYS 28 Ca -0.19 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2pqe n LYS 28 Cb 0.54 -4.58 0.00 0.00 -0.00 0.00 0.00 35.03 30.99 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 -0.52 0.79 2.83 2.58 0.00 -1.26 -5.08 105.19 104.52 2pqe n GLY 29 Ca -0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.69 -0.00 -0.78 1.61 -2.07 0.30 -5.10 119.66 112.93 2pqe s GLN 30 Ca 0.00 0.17 -0.25 0.00 -1.82 0.00 0.00 55.36 53.46 2pqe s GLN 30 Cb 0.00 -0.17 0.04 0.00 -1.09 0.00 0.00 33.01 31.80 2pqe s GLN 30 CO 0.00 -0.12 1.25 0.00 -1.32 0.00 0.00 175.29 175.10 2pqe s ALA 31 N 0.79 2.82 0.15 2.60 0.00 -1.26 0.14 121.76 127.00 2pqe s ALA 31 Ca -0.06 -1.64 0.06 0.00 0.00 0.00 0.00 51.96 50.32 2pqe s ALA 31 Cb -0.09 -4.23 -0.04 0.00 0.00 0.00 0.00 23.12 18.76 2pqe s ALA 31 CO -0.03 -3.25 0.03 0.00 0.00 0.00 0.00 175.76 172.51 2pqe s MET 32 N 5.24 2.54 -0.44 0.00 0.00 -0.43 -4.87 119.30 121.34 2pqe s MET 32 Ca 0.35 -0.98 -0.29 0.00 0.00 0.00 0.00 55.69 54.77 2pqe s MET 32 Cb -0.08 -2.47 0.03 0.00 0.00 0.00 0.00 34.83 32.31 2pqe s MET 32 CO 0.09 0.49 1.14 0.99 0.00 0.00 0.00 175.02 177.73 2pqe s THR 33 N -1.60 4.26 -0.16 3.16 2.01 -1.26 -0.80 115.64 121.25 2pqe s THR 33 Ca 0.28 1.32 -0.14 0.00 0.31 0.00 0.00 61.69 63.46 2pqe s THR 33 Cb -0.10 -4.55 -0.05 0.00 0.01 0.00 0.00 72.50 67.81 2pqe s THR 33 CO 0.19 -0.89 0.30 -0.36 -0.69 0.00 0.00 174.62 173.18 2pqe s PHE 34 N 4.33 3.47 -0.17 4.92 0.40 0.28 -0.08 117.98 131.13 2pqe s PHE 34 Ca 0.48 0.61 0.01 0.00 -0.60 0.00 0.00 56.93 57.43 2pqe s PHE 34 Cb -0.08 -2.35 0.01 0.00 0.51 0.00 0.00 43.02 41.10 2pqe s PHE 34 CO 0.28 0.24 -0.17 1.03 0.70 0.00 0.00 175.22 177.30 2pqe s ARG 35 N 0.46 3.11 -0.06 0.44 1.81 -1.00 -0.49 118.95 123.23 2pqe s ARG 35 Ca 0.17 -0.79 -0.34 0.00 -1.72 0.00 0.00 55.73 53.05 2pqe s ARG 35 Cb -0.13 -2.60 -0.12 0.00 -0.45 0.00 0.00 34.95 31.65 2pqe s ARG 35 CO 0.04 -0.08 1.84 1.28 -0.68 0.00 0.00 175.30 177.70 2pqe n LEU 36 N 4.31 3.39 -4.72 2.53 4.77 -0.62 -1.61 117.00 125.05 2pqe n LEU 36 Ca -0.20 0.99 -0.41 0.00 -0.03 0.00 0.00 56.01 56.36 2pqe n LEU 36 Cb 0.51 -1.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.18 2pqe n LEU 36 CO 0.27 -0.09 0.63 -0.76 -1.33 0.00 0.00 177.39 176.11 2pqe s LEU 37 N 3.62 4.45 -1.54 2.23 1.43 -0.88 -3.62 118.68 124.37 2pqe s LEU 37 Ca 0.91 1.68 -0.00 0.00 -1.03 0.00 0.00 54.13 55.68 2pqe s LEU 37 Cb -0.69 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.01 2pqe s LEU 37 CO 0.50 -0.12 0.06 0.18 0.23 0.00 0.00 176.35 177.20 2pqe n LEU 38 N 3.17 -1.92 -3.88 1.79 4.77 -1.26 -4.80 117.00 114.87 2pqe n LEU 38 Ca 0.03 -0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.86 2pqe n LEU 38 Cb 0.50 -2.64 -0.09 0.00 -2.33 0.00 0.00 43.42 38.87 2pqe n LEU 38 CO 0.51 -0.15 -0.14 -0.69 -1.33 0.00 0.00 177.39 175.59 2pqe s VAL 39 N -2.93 0.12 -0.21 4.08 1.01 -1.24 -2.30 120.40 118.92 2pqe s VAL 39 Ca 0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 2pqe s VAL 39 Cb -0.01 -0.92 0.06 0.00 0.00 0.00 0.00 36.38 35.51 2pqe s VAL 39 CO 0.04 -0.54 0.03 -0.62 0.00 0.00 0.00 175.10 174.01 2pqe s ASP 40 N -2.13 3.20 -0.79 3.32 2.15 -0.77 -4.44 116.67 117.21 2pqe s ASP 40 Ca -0.05 -0.98 -0.08 0.00 0.43 0.00 0.00 52.55 51.88 2pqe s ASP 40 Cb -0.01 -0.72 0.20 0.00 -0.30 0.00 0.00 42.92 42.10 2pqe s ASP 40 CO -0.04 -0.31 0.68 -0.89 -0.17 0.00 0.00 175.17 174.44 2pqe s THR 41 N 1.76 4.81 0.18 1.71 2.01 -1.26 -2.19 115.64 122.66 2pqe s THR 41 Ca -0.01 -2.90 0.00 0.00 0.31 0.00 0.00 61.69 59.10 2pqe s THR 41 Cb -0.17 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2pqe s THR 41 CO -0.10 -0.99 0.00 0.00 -0.69 0.00 0.00 174.62 172.84 2pqe n ALA 42 N 3.49 -1.73 0.03 7.40 0.00 -1.26 -3.84 120.51 124.59 2pqe n ALA 42 Ca 0.13 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2pqe n ALA 42 Cb 0.42 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.90 0.00 -2.66 0.00 2.13 -1.26 -4.92 120.64 113.02 2pqe n GLU 43 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 2pqe n GLU 43 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2pqe n GLU 43 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2pqe n THR 44 N -2.65-12.34 -1.44 6.31 -1.04 -1.26 -4.98 114.28 96.88 2pqe n THR 44 Ca 0.00 2.18 0.07 0.00 -2.04 0.00 0.00 64.05 64.26 2pqe n THR 44 Cb 0.00 -6.80 0.13 0.00 -1.82 0.00 0.00 70.33 61.84 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 1.05 1.08 0.00 -2.82 -0.00 -1.26 -4.70 118.16 111.51 2pqe n LYS 45 Ca -0.15 -2.48 0.00 0.00 -0.00 0.00 0.00 58.31 55.68 2pqe n LYS 45 Cb 0.23 -1.28 0.00 0.00 -0.00 0.00 0.00 35.03 33.99 2pqe n LYS 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2pqe n HIS 46 N -1.01 0.00 -2.31 5.58 8.25 -1.26 -5.07 115.22 119.40 2pqe n HIS 46 Ca 0.14 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.53 2pqe n HIS 46 Cb 0.70 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.84 2pqe n HIS 46 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2pqe n THR 47 N -1.75 -4.83 -0.08 1.59 -1.04 -1.26 -5.00 114.28 101.91 2pqe n THR 47 Ca 0.00 -0.61 -0.22 0.00 -2.04 0.00 0.00 64.05 61.18 2pqe n THR 47 Cb 0.39 -4.66 -0.12 0.00 -1.82 0.00 0.00 70.33 64.12 2pqe n THR 47 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2pqe n LYS 48 N -2.27 0.62 0.00 -2.82 4.81 -1.26 -4.99 118.16 112.25 2pqe n LYS 48 Ca -0.03 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 2pqe n LYS 48 Cb 0.55 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.88 2pqe n LYS 48 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2pqe n LYS 49 N -4.15 0.00 0.00 1.64 -0.00 -1.26 -5.01 118.16 109.38 2pqe n LYS 49 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.97 2pqe n LYS 49 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.83 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 -0.37 0.29 1.73 2.58 0.00 -1.26 -5.00 105.19 103.16 2pqe n GLY 50 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2pqe n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pqe n VAL 51 N 0.00 2.01 0.14 1.61 0.31 -1.26 -3.06 118.33 118.08 2pqe n VAL 51 Ca 0.00 -3.46 0.06 0.00 -0.01 0.00 0.00 64.34 60.93 2pqe n VAL 51 Cb 0.00 -0.30 0.54 0.00 -0.91 0.00 0.00 33.84 33.16 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 1.83 0.25 -0.26 5.55 4.11 -1.95 -3.21 114.58 120.90 2pqe h GLU 52 Ca 0.13 -0.02 -0.21 0.00 0.07 0.00 0.00 59.36 59.33 2pqe h GLU 52 Cb 1.38 -0.06 -0.35 0.00 0.50 0.00 0.00 28.75 30.22 2pqe h GLU 52 CO 0.40 0.17 -0.96 0.36 0.07 0.00 0.00 179.01 179.06 2pqe n LYS 53 N -4.50 1.23 -3.14 1.06 -0.00 -1.26 -5.00 118.16 106.55 2pqe n LYS 53 Ca -0.00 -2.78 -0.14 0.00 -0.00 0.00 0.00 58.31 55.38 2pqe n LYS 53 Cb 0.08 -0.91 0.07 0.00 -0.00 0.00 0.00 35.03 34.27 2pqe n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2pqe n TYR 54 N -0.45 -2.15 -0.05 5.58 4.01 -1.21 -4.73 117.16 118.16 2pqe n TYR 54 Ca 0.02 0.80 -0.22 0.00 -0.16 0.00 0.00 57.90 58.34 2pqe n TYR 54 Cb 0.88 -4.22 -0.13 0.00 -0.31 0.00 0.00 39.34 35.57 2pqe n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pqe n GLY 55 N -1.21 -0.69 0.28 2.72 0.00 -1.25 -3.37 105.19 101.66 2pqe n GLY 55 Ca -0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 2pqe n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqe h ALA 56 N -0.20 1.00 -0.04 4.61 0.00 -1.92 -2.71 119.26 120.00 2pqe h ALA 56 Ca -0.39 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 2pqe h ALA 56 Cb 1.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2pqe h ALA 56 CO -0.06 0.60 -0.50 1.49 0.00 0.00 0.00 179.25 180.79 2pqe h GLU 57 N 0.72 0.11 -0.25 0.00 4.81 -1.89 -2.22 114.58 115.86 2pqe h GLU 57 Ca 0.12 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2pqe h GLU 57 Cb 0.57 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2pqe h GLU 57 CO 0.04 0.59 0.14 0.00 -0.73 0.00 0.00 179.01 179.04 2pqe h ALA 58 N 1.40 0.30 -0.10 2.92 0.00 -1.49 -0.65 119.26 121.65 2pqe h ALA 58 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2pqe h ALA 58 Cb 0.92 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2pqe h ALA 58 CO 0.07 -0.26 -0.68 0.77 0.00 0.00 0.00 179.25 179.15 2pqe h SER 59 N 0.28 0.49 -0.25 0.00 0.02 -1.49 -2.58 113.55 110.01 2pqe h SER 59 Ca 0.10 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2pqe h SER 59 Cb 0.01 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2pqe h SER 59 CO -0.05 1.03 0.14 0.00 -1.14 0.00 0.00 176.83 176.80 2pqe h ALA 60 N 0.97 0.32 -0.54 3.77 0.00 -1.08 0.83 119.26 123.53 2pqe h ALA 60 Ca -0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2pqe h ALA 60 Cb 1.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2pqe h ALA 60 CO 0.12 -0.15 -0.09 0.35 0.00 0.00 0.00 179.25 179.48 2pqe h PHE 61 N 0.29 1.12 -0.04 0.00 3.57 -1.16 -0.70 116.94 120.02 2pqe h PHE 61 Ca 0.09 -0.22 -0.18 0.00 3.53 0.00 0.00 57.97 61.19 2pqe h PHE 61 Cb 0.06 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2pqe h PHE 61 CO -0.03 1.03 -0.74 1.15 -2.23 0.00 0.00 178.31 177.48 2pqe h THR 62 N 0.90 1.43 -0.14 4.41 2.02 -1.24 -1.55 112.91 118.74 2pqe h THR 62 Ca 0.15 -2.27 -0.12 0.00 0.77 0.00 0.00 66.41 64.94 2pqe h THR 62 Cb 0.64 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2pqe h THR 62 CO 0.04 0.67 -0.37 0.11 0.37 0.00 0.00 175.52 176.34 2pqe h LYS 63 N 0.17 0.50 -0.10 6.66 1.57 0.85 -1.81 116.57 124.42 2pqe h LYS 63 Ca -0.03 -0.35 -0.16 0.00 -1.87 0.00 0.00 60.65 58.24 2pqe h LYS 63 Cb 1.31 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 2pqe h LYS 63 CO 0.12 0.97 -0.63 1.57 -0.57 0.00 0.00 179.45 180.90 2pqe h LYS 64 N 0.12 0.37 -0.05 3.15 5.09 -1.18 0.20 116.57 124.27 2pqe h LYS 64 Ca -0.01 -0.27 -0.14 0.00 0.09 0.00 0.00 60.65 60.32 2pqe h LYS 64 Cb 0.99 0.04 -0.01 0.00 0.10 0.00 0.00 32.23 33.35 2pqe h LYS 64 CO 0.08 0.88 -0.61 1.98 -2.09 0.00 0.00 179.45 179.69 2pqe h MET 65 N 0.27 0.18 0.07 0.07 4.05 -1.31 -1.25 114.93 117.01 2pqe h MET 65 Ca -0.01 -0.13 -0.25 0.00 -0.28 0.00 0.00 59.70 59.03 2pqe h MET 65 Cb 1.17 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.98 2pqe h MET 65 CO 0.11 0.74 -1.32 -0.39 0.23 0.00 0.00 176.91 176.27 2pqe h VAL 66 N 0.13 1.01 0.00 -5.77 -1.51 -1.26 -1.86 116.25 107.00 2pqe h VAL 66 Ca -0.01 -2.32 -0.05 0.00 -1.23 0.00 0.00 66.70 63.09 2pqe h VAL 66 Cb 1.11 2.60 -0.01 0.00 -2.13 0.00 0.00 31.29 32.86 2pqe h VAL 66 CO 0.09 0.60 -0.24 -0.33 -1.23 0.00 0.00 177.57 176.47 2pqe h GLU 67 N -0.52 0.00 0.02 5.19 4.39 -0.69 -3.12 114.58 119.85 2pqe h GLU 67 Ca -0.31 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.05 2pqe h GLU 67 Cb 1.60 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.19 2pqe h GLU 67 CO -0.02 0.24 -2.10 -1.71 -1.16 0.00 0.00 179.01 174.26 2pqe n ASN 68 N -3.61 0.84 -0.19 1.42 2.85 -0.47 -4.39 115.26 111.71 2pqe n ASN 68 Ca -0.01 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 2pqe n ASN 68 Cb 0.37 0.19 0.10 0.00 1.24 0.00 0.00 39.78 41.68 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 0.76 0.61 0.00 5.20 0.00 -1.27 -3.45 119.26 121.11 2pqe h ALA 69 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2pqe h ALA 69 Cb 2.09 0.28 0.00 0.00 0.00 0.00 0.00 17.79 20.16 2pqe h ALA 69 CO 0.04 -0.37 0.00 1.63 0.00 0.00 0.00 179.25 180.55 2pqe n LYS 70 N -5.23 0.00 -3.93 0.00 5.02 -1.23 -4.69 118.16 108.10 2pqe n LYS 70 Ca 0.08 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.10 2pqe n LYS 70 Cb 0.34 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.18 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 1.66 0.02 1.97 2.36 -1.26 -4.83 119.74 119.67 2pqe s LYS 71 Ca 0.00 -0.33 0.08 0.00 -2.55 0.00 0.00 55.97 53.17 2pqe s LYS 71 Cb 0.00 -1.72 -0.02 0.00 -1.05 0.00 0.00 37.83 35.04 2pqe s LYS 71 CO 0.00 -0.28 -0.23 0.42 1.55 0.00 0.00 175.35 176.81 2pqe s ILE 72 N 1.66 1.88 0.07 5.43 1.09 -1.26 0.64 121.20 130.70 2pqe s ILE 72 Ca 0.05 -1.19 0.05 0.00 -1.10 0.00 0.00 60.65 58.45 2pqe s ILE 72 Cb -0.13 -1.60 -0.03 0.00 -1.06 0.00 0.00 42.46 39.65 2pqe s ILE 72 CO -0.09 0.36 -0.15 -1.61 -0.10 0.00 0.00 174.94 173.36 2pqe s GLU 73 N -0.99 0.86 0.11 2.79 2.02 0.65 -2.39 118.70 121.76 2pqe s GLU 73 Ca 0.09 -0.92 0.10 0.00 0.02 0.00 0.00 54.97 54.27 2pqe s GLU 73 Cb -0.09 -0.89 -0.04 0.00 0.10 0.00 0.00 34.13 33.21 2pqe s GLU 73 CO 0.01 0.20 -0.26 0.14 0.02 0.00 0.00 175.26 175.37 2pqe s VAL 74 N -1.17 2.16 -0.13 2.63 -7.23 -0.97 -0.45 120.40 115.24 2pqe s VAL 74 Ca -0.01 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 2pqe s VAL 74 Cb -0.09 -1.90 0.04 0.00 0.56 0.00 0.00 36.38 34.98 2pqe s VAL 74 CO 0.02 0.11 0.00 -0.70 -0.31 0.00 0.00 175.10 174.23 2pqe s GLU 75 N -1.90 0.75 -0.04 4.82 2.12 -0.65 -0.50 118.70 123.31 2pqe s GLU 75 Ca 0.13 -0.16 -0.17 0.00 0.36 0.00 0.00 54.97 55.12 2pqe s GLU 75 Cb -0.10 -1.53 -0.05 0.00 0.26 0.00 0.00 34.13 32.71 2pqe s GLU 75 CO 0.05 -0.44 0.47 -0.06 -0.54 0.00 0.00 175.26 174.74 2pqe s PHE 76 N 1.89 3.65 0.00 5.30 0.40 -1.26 -1.14 117.98 126.82 2pqe s PHE 76 Ca 0.02 1.00 0.00 0.00 -0.60 0.00 0.00 56.93 57.36 2pqe s PHE 76 Cb -0.14 -2.44 0.00 0.00 0.51 0.00 0.00 43.02 40.95 2pqe s PHE 76 CO -0.07 0.43 0.00 -0.25 0.70 0.00 0.00 175.22 176.04 2pqe n ASP 77 N 2.58 -0.21 -1.59 1.36 8.00 -1.26 -4.97 116.55 120.46 2pqe n ASP 77 Ca -0.10 -0.62 0.08 0.00 0.71 0.00 0.00 54.79 54.86 2pqe n ASP 77 Cb 0.52 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.98 2pqe n ASP 77 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2pqe n LYS 78 N -0.83 4.17 0.00 -1.24 4.76 -1.26 -4.87 118.16 118.90 2pqe n LYS 78 Ca 0.00 -3.00 0.00 0.00 -2.87 0.00 0.00 58.31 52.44 2pqe n LYS 78 Cb 0.00 -2.06 0.00 0.00 -1.84 0.00 0.00 35.03 31.13 2pqe n LYS 78 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pqe n GLY 79 N 0.56 0.65 3.89 0.72 0.00 -1.10 -4.67 105.19 105.25 2pqe n GLY 79 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 2pqe n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pqe s GLN 80 N 2.46 3.61 -0.13 1.61 0.74 -1.26 -4.81 119.66 121.87 2pqe s GLN 80 Ca 0.00 -0.07 0.18 0.00 0.05 0.00 0.00 55.36 55.51 2pqe s GLN 80 Cb 0.00 -2.98 -0.26 0.00 1.10 0.00 0.00 33.01 30.87 2pqe s GLN 80 CO 0.00 0.57 0.19 -2.13 -0.55 0.00 0.00 175.29 173.37 2pqe n ARG 81 N 0.64 0.84 -3.65 1.67 0.63 -1.26 -4.75 116.66 110.78 2pqe n ARG 81 Ca -0.07 -0.07 -0.26 0.00 -0.92 0.00 0.00 57.85 56.53 2pqe n ARG 81 Cb 0.52 -1.48 -0.17 0.00 0.45 0.00 0.00 32.46 31.78 2pqe n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2pqe s THR 82 N -2.76 0.09 -0.68 5.15 -4.23 -1.26 0.46 115.64 112.40 2pqe s THR 82 Ca -0.09 -0.23 -0.16 0.00 -1.18 0.00 0.00 61.69 60.03 2pqe s THR 82 Cb 0.08 -0.67 -0.14 0.00 1.34 0.00 0.00 72.50 73.11 2pqe s THR 82 CO 0.79 -0.22 1.87 -0.90 -0.54 0.00 0.00 174.62 175.62 2pqe n ASP 83 N 5.22 2.88 -2.18 3.99 5.68 -1.26 -4.26 116.55 126.61 2pqe n ASP 83 Ca -0.07 -2.50 -0.10 0.00 -0.50 0.00 0.00 54.79 51.62 2pqe n ASP 83 Cb 0.49 -1.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.46 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 6.11 -2.12 -0.01 0.11 4.76 -1.26 -4.71 118.16 121.04 2pqe n LYS 84 Ca 0.44 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 56.37 2pqe n LYS 84 Cb 0.29 -4.97 0.00 0.00 -1.84 0.00 0.00 35.03 28.51 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 -2.83 0.00 -1.46 2.13 4.01 -1.26 -4.99 117.16 112.75 2pqe n TYR 85 Ca -0.11 -0.12 -0.16 0.00 -0.16 0.00 0.00 57.90 57.35 2pqe n TYR 85 Cb 0.52 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.47 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 -0.12 1.55 0.57 2.72 0.00 -1.26 -4.95 105.19 103.70 2pqe n GLY 86 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.84 0.05 -3.42 1.61 5.12 -1.26 -4.92 116.66 111.99 2pqe n ARG 87 Ca -0.16 -0.34 -0.33 0.00 -1.93 0.00 0.00 57.85 55.09 2pqe n ARG 87 Cb 0.59 -0.17 -0.06 0.00 -1.16 0.00 0.00 32.46 31.66 2pqe n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pqe n GLY 88 N 3.76 4.67 3.65 -0.13 0.00 0.89 -4.18 105.19 113.87 2pqe n GLY 88 Ca 0.02 -2.70 -0.46 0.00 0.00 0.00 0.00 46.02 42.89 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 1.37 3.57 0.00 0.99 4.77 0.17 -2.37 117.00 125.51 2pqe n LEU 89 Ca 0.26 0.85 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 2pqe n LEU 89 Cb 0.38 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2pqe n LEU 89 CO 0.46 -0.08 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 2pqe n ALA 90 N 7.59 0.00 -2.02 -1.18 0.00 -0.63 -4.64 120.51 119.63 2pqe n ALA 90 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 2pqe n ALA 90 Cb 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 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 3.89 -0.14 0.00 1.51 -0.29 -2.07 117.35 118.25 2pqe s TYR 91 Ca 0.00 1.67 -0.07 0.00 -1.01 0.00 0.00 57.07 57.66 2pqe s TYR 91 Cb 0.00 -2.82 -0.04 0.00 -0.11 0.00 0.00 41.96 38.98 2pqe s TYR 91 CO 0.00 0.46 0.11 0.42 -1.11 0.00 0.00 175.55 175.43 2pqe s ILE 92 N -0.95 5.25 -0.01 2.71 -1.09 -1.26 -1.64 121.20 124.21 2pqe s ILE 92 Ca 0.38 0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.95 2pqe s ILE 92 Cb -0.23 -3.31 -0.00 0.00 -1.58 0.00 0.00 42.46 37.33 2pqe s ILE 92 CO 0.27 0.56 -0.10 -0.31 -1.23 0.00 0.00 174.94 174.13 2pqe s TYR 93 N -0.53 0.94 -0.11 3.97 1.51 0.41 -1.74 117.35 121.79 2pqe s TYR 93 Ca 0.12 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 56.00 2pqe s TYR 93 Cb -0.12 -0.63 -0.01 0.00 -0.11 0.00 0.00 41.96 41.10 2pqe s TYR 93 CO 0.02 -0.04 -0.17 0.00 -1.11 0.00 0.00 175.55 174.25 2pqe s ALA 94 N -0.11 2.47 -1.75 3.71 0.00 0.53 -0.25 121.76 126.35 2pqe s ALA 94 Ca 0.02 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 2pqe s ALA 94 Cb -0.05 -1.06 0.15 0.00 0.00 0.00 0.00 23.12 22.16 2pqe s ALA 94 CO -0.00 0.29 0.42 -3.47 0.00 0.00 0.00 175.76 172.99 2pqe n ASP 95 N 3.43 -1.02 -0.33 0.00 2.03 0.21 0.16 116.55 121.03 2pqe n ASP 95 Ca -0.18 -1.23 -0.04 0.00 0.52 0.00 0.00 54.79 53.86 2pqe n ASP 95 Cb 0.53 -1.74 -0.01 0.00 -0.72 0.00 0.00 41.12 39.17 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 -1.60 0.61 3.44 0.27 0.00 -1.26 -5.04 105.19 101.61 2pqe n GLY 96 Ca -0.04 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.64 1.60 -0.33 1.61 2.20 0.42 -5.11 119.74 117.49 2pqe s LYS 97 Ca 0.00 -1.43 -0.21 0.00 -0.36 0.00 0.00 55.97 53.97 2pqe s LYS 97 Cb 0.00 -1.92 -0.00 0.00 -1.51 0.00 0.00 37.83 34.40 2pqe s LYS 97 CO 0.00 0.42 0.66 -1.64 -0.36 0.00 0.00 175.35 174.43 2pqe s MET 98 N -2.54 3.82 0.04 4.03 -1.94 -1.26 -0.35 119.30 121.09 2pqe s MET 98 Ca 0.20 0.25 -0.18 0.00 -1.71 0.00 0.00 55.69 54.25 2pqe s MET 98 Cb -0.09 -3.76 -0.17 0.00 2.01 0.00 0.00 34.83 32.82 2pqe s MET 98 CO 0.10 -0.67 1.24 0.28 -0.01 0.00 0.00 175.02 175.96 2pqe h VAL 99 N 5.62 1.37 -0.08 -6.03 2.07 -1.71 -2.08 116.25 115.41 2pqe h VAL 99 Ca -0.26 -1.76 0.02 0.00 0.82 0.00 0.00 66.70 65.51 2pqe h VAL 99 Cb 1.11 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 2pqe h VAL 99 CO 0.83 0.53 -0.02 -0.55 0.02 0.00 0.00 177.57 178.38 2pqe h ASN 100 N 0.09 -0.08 -0.68 0.57 -1.07 -1.93 -0.66 115.58 111.83 2pqe h ASN 100 Ca -0.02 0.03 -0.06 0.00 0.07 0.00 0.00 56.30 56.32 2pqe h ASN 100 Cb 1.08 0.05 -0.03 0.00 -2.07 0.00 0.00 38.32 37.35 2pqe h ASN 100 CO 0.09 -0.03 0.21 -0.33 0.07 0.00 0.00 177.43 177.44 2pqe h GLU 101 N -0.00 1.05 0.35 4.14 4.39 -1.93 -1.87 114.58 120.70 2pqe h GLU 101 Ca 0.04 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 2pqe h GLU 101 Cb 0.06 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2pqe h GLU 101 CO -0.09 0.92 -0.20 0.00 -1.16 0.00 0.00 179.01 178.48 2pqe h ALA 102 N 1.09 -0.51 0.16 3.43 0.00 -1.04 0.86 119.26 123.25 2pqe h ALA 102 Ca 0.22 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2pqe h ALA 102 Cb 0.31 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2pqe h ALA 102 CO -0.01 -0.80 -0.17 -0.07 0.00 0.00 0.00 179.25 178.21 2pqe h LEU 103 N -0.52 -0.46 -0.47 0.00 3.38 -1.07 0.29 115.31 116.46 2pqe h LEU 103 Ca -0.04 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2pqe h LEU 103 Cb 0.42 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2pqe h LEU 103 CO 0.05 -0.26 0.20 0.58 0.09 0.00 0.00 178.44 179.10 2pqe h VAL 104 N -0.37 1.20 -0.09 1.22 2.07 -1.28 0.93 116.25 119.93 2pqe h VAL 104 Ca 0.01 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2pqe h VAL 104 Cb 0.36 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2pqe h VAL 104 CO -0.06 0.22 -0.10 -0.09 0.02 0.00 0.00 177.57 177.57 2pqe h ARG 105 N 0.61 0.14 0.00 1.57 2.43 1.00 -2.22 114.38 117.91 2pqe h ARG 105 Ca 0.16 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.14 2pqe h ARG 105 Cb 0.16 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2pqe h ARG 105 CO -0.02 0.25 -1.14 0.37 -1.51 0.00 0.00 179.97 177.92 2pqe h GLN 106 N 0.13 0.00 0.00 0.20 4.15 0.11 -3.47 115.11 116.23 2pqe h GLN 106 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2pqe h GLN 106 Cb 0.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2pqe h GLN 106 CO 0.02 0.42 0.00 0.41 -1.93 0.00 0.00 178.83 177.75 2pqe n GLY 107 N 1.36 0.84 0.00 2.39 0.00 0.20 -4.37 105.19 105.60 2pqe n GLY 107 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -4.36 0.99 4.32 0.26 -0.84 117.00 117.37 2pqe n LEU 108 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.75 2pqe n LEU 108 Cb 0.00 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.68 2pqe n LEU 108 CO 0.00 0.00 -0.51 0.00 -1.22 0.00 0.00 177.39 175.66 2pqe s ALA 109 N -1.90 2.17 0.23 -1.18 0.00 -1.17 -4.30 121.76 115.62 2pqe s ALA 109 Ca 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.46 2pqe s ALA 109 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2pqe s ALA 109 CO 0.00 0.34 0.05 0.36 0.00 0.00 0.00 175.76 176.51 2pqe n LYS 110 N 0.44 1.36 -3.09 0.00 -0.00 -0.93 -3.89 118.16 112.04 2pqe n LYS 110 Ca -0.14 -1.63 -0.43 0.00 -0.00 0.00 0.00 58.31 56.11 2pqe n LYS 110 Cb 0.56 0.37 -0.07 0.00 -0.00 0.00 0.00 35.03 35.89 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 -1.66 4.82 0.00 0.58 1.01 -1.26 -1.86 120.40 122.03 2pqe s VAL 111 Ca 0.04 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2pqe s VAL 111 Cb -0.00 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2pqe s VAL 111 CO 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 175.10 174.57 2pqe n ALA 112 N 6.28 0.00 -3.47 5.51 0.00 -0.97 -4.86 120.51 122.99 2pqe n ALA 112 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 2pqe n ALA 112 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 2pqe n ALA 112 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2pqe s TYR 113 N -0.69 -0.26 0.47 0.00 1.13 -1.26 -4.77 117.35 111.97 2pqe s TYR 113 Ca 0.00 -0.02 -0.05 0.00 -1.41 0.00 0.00 57.07 55.59 2pqe s TYR 113 Cb 0.00 -0.45 -0.04 0.00 -1.10 0.00 0.00 41.96 40.37 2pqe s TYR 113 CO 0.00 -0.72 0.76 0.54 -2.51 0.00 0.00 175.55 173.62 2pqe s VAL 114 N 2.31 4.93 0.08 -3.49 0.11 -1.26 -5.01 120.40 118.08 2pqe s VAL 114 Ca 0.08 0.12 -0.35 0.00 -2.93 0.00 0.00 61.98 58.90 2pqe s VAL 114 Cb -0.15 -3.87 -0.17 0.00 -1.53 0.00 0.00 36.38 30.66 2pqe s VAL 114 CO -0.21 -0.82 1.58 0.22 -3.33 0.00 0.00 175.10 172.54 2pqe h TYR 115 N 0.28 -1.24 0.00 1.54 5.03 -2.01 -3.48 116.97 117.10 2pqe h TYR 115 Ca -0.47 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.84 2pqe h TYR 115 Cb 1.21 0.46 0.00 0.00 1.55 0.00 0.00 36.73 39.95 2pqe h TYR 115 CO 0.58 -0.65 0.00 0.36 -1.32 0.00 0.00 178.16 177.13 2pqe n LYS 116 N -5.56 0.00 0.00 1.82 2.85 -1.26 -5.02 118.16 110.99 2pqe n LYS 116 Ca -0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 2pqe n LYS 116 Cb 0.45 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.83 2pqe n LYS 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pqe n GLY 117 N -0.26 3.11 2.70 2.58 0.00 -1.26 -4.01 105.19 108.05 2pqe n GLY 117 Ca 0.00 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 2pqe n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pqe n ASN 118 N 0.89 5.98 -3.16 1.61 3.02 -1.26 -2.70 115.26 119.63 2pqe n ASN 118 Ca 0.00 -3.04 -0.20 0.00 -0.03 0.00 0.00 54.58 51.31 2pqe n ASN 118 Cb 0.00 -1.48 -0.03 0.00 -0.61 0.00 0.00 39.78 37.66 2pqe n ASN 118 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pqe n ASN 119 N 3.56 1.33 -0.10 6.41 3.02 -1.26 -4.87 115.26 123.34 2pqe n ASN 119 Ca 0.50 -3.09 -0.14 0.00 -0.03 0.00 0.00 54.58 51.82 2pqe n ASN 119 Cb 0.33 -0.61 -0.09 0.00 -0.61 0.00 0.00 39.78 38.79 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2pqe n THR 120 N 0.26 1.16 -0.80 3.41 -1.04 -1.26 -4.51 114.28 111.50 2pqe n THR 120 Ca 0.26 -0.45 0.08 0.00 -2.04 0.00 0.00 64.05 61.90 2pqe n THR 120 Cb 0.62 -1.21 0.37 0.00 -1.82 0.00 0.00 70.33 68.28 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 -3.09 1.72 0.29 -1.42 8.25 -1.26 -4.49 115.22 115.23 2pqe n HIS 121 Ca -0.36 -0.70 0.19 0.00 -0.26 0.00 0.00 57.72 56.60 2pqe n HIS 121 Cb 0.88 -0.39 1.02 0.00 1.12 0.00 0.00 29.99 32.63 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 3.78 0.00 0.16 -0.41 4.81 -1.91 -1.34 114.58 119.68 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 1.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.10 2pqe h GLU 122 CO 0.36 0.00 -0.08 1.96 -0.73 0.00 0.00 179.01 180.53 2pqe h GLN 123 N 0.00 -0.20 -0.15 1.92 1.08 -1.93 -2.19 115.11 113.64 2pqe h GLN 123 Ca 0.00 0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 2pqe h GLN 123 Cb 0.05 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2pqe h GLN 123 CO 0.00 0.23 -0.47 1.37 -0.95 0.00 0.00 178.83 179.01 2pqe h LEU 124 N -0.85 0.40 -0.63 1.46 -0.00 -1.82 -0.82 115.31 113.04 2pqe h LEU 124 Ca -0.02 -0.19 -0.09 0.00 -0.00 0.00 0.00 57.88 57.58 2pqe h LEU 124 Cb 0.53 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.05 2pqe h LEU 124 CO 0.04 0.81 0.06 -0.07 -0.00 0.00 0.00 178.44 179.28 2pqe h LEU 125 N 0.30 1.05 -0.15 0.17 3.38 -1.35 -1.73 115.31 116.99 2pqe h LEU 125 Ca 0.02 -0.28 -0.20 0.00 0.09 0.00 0.00 57.88 57.51 2pqe h LEU 125 Cb 0.94 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2pqe h LEU 125 CO 0.08 1.07 -0.94 -0.09 0.09 0.00 0.00 178.44 178.65 2pqe h ARG 126 N 0.99 0.03 -0.07 1.13 2.43 -1.30 -2.54 114.38 115.05 2pqe h ARG 126 Ca 0.19 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2pqe h ARG 126 Cb 0.50 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2pqe h ARG 126 CO 0.02 0.94 0.00 -0.22 -1.51 0.00 0.00 179.97 179.21 2pqe h LYS 127 N 0.01 0.13 -0.42 0.20 1.63 -0.96 0.07 116.57 117.23 2pqe h LYS 127 Ca -0.02 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.62 2pqe h LYS 127 Cb 1.65 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.25 2pqe h LYS 127 CO 0.13 0.38 -0.24 1.03 -3.45 0.00 0.00 179.45 177.30 2pqe h SER 128 N -0.14 0.94 0.35 4.20 0.87 -1.41 -1.17 113.55 117.18 2pqe h SER 128 Ca 0.02 -0.42 -0.02 0.00 -1.23 0.00 0.00 61.79 60.15 2pqe h SER 128 Cb 0.32 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2pqe h SER 128 CO 0.00 1.15 -0.17 -0.08 -0.53 0.00 0.00 176.83 177.20 2pqe h GLU 129 N 0.73 -0.45 -0.44 2.24 4.22 -1.43 0.80 114.58 120.25 2pqe h GLU 129 Ca 0.09 0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.57 2pqe h GLU 129 Cb 0.81 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2pqe h GLU 129 CO 0.07 -0.23 0.28 0.00 -2.18 0.00 0.00 179.01 176.95 2pqe h ALA 130 N 0.02 0.56 -0.73 2.92 0.00 -1.01 0.19 119.26 121.21 2pqe h ALA 130 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2pqe h ALA 130 Cb 0.43 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2pqe h ALA 130 CO 0.08 -0.01 0.45 1.96 0.00 0.00 0.00 179.25 181.72 2pqe h GLN 131 N 0.57 0.98 -0.26 0.00 7.50 -1.14 -0.78 115.11 121.97 2pqe h GLN 131 Ca 0.16 -0.08 -0.10 0.00 0.50 0.00 0.00 58.65 59.13 2pqe h GLN 131 Cb -0.05 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 27.26 2pqe h GLN 131 CO -0.05 0.69 -0.26 0.00 -1.50 0.00 0.00 178.83 177.71 2pqe h ALA 132 N 1.24 1.06 -0.06 3.87 0.00 -0.43 -2.63 119.26 122.31 2pqe h ALA 132 Ca 0.26 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2pqe h ALA 132 Cb -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2pqe h ALA 132 CO -0.05 0.57 -0.05 1.57 0.00 0.00 0.00 179.25 181.29 2pqe h LYS 133 N 0.45 0.14 -1.00 0.00 5.09 -0.44 0.17 116.57 120.99 2pqe h LYS 133 Ca 0.06 -0.07 0.08 0.00 0.09 0.00 0.00 60.65 60.81 2pqe h LYS 133 Cb 0.69 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 32.95 2pqe h LYS 133 CO 0.05 0.58 0.64 0.87 -2.09 0.00 0.00 179.45 179.50 2pqe h LYS 134 N -0.30 1.09 0.00 0.07 1.57 -1.14 0.29 116.57 118.15 2pqe h LYS 134 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2pqe h LYS 134 Cb 0.56 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2pqe h LYS 134 CO 0.01 0.72 -0.21 0.39 -0.57 0.00 0.00 179.45 179.80 2pqe n GLU 135 N -4.54 0.12 -3.52 3.15 -0.58 -1.00 -4.97 120.64 109.32 2pqe n GLU 135 Ca 0.16 0.07 -0.25 0.00 -0.42 0.00 0.00 57.16 56.72 2pqe n GLU 135 Cb 0.22 -1.61 0.05 0.00 -0.57 0.00 0.00 31.44 29.53 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 -1.80 -1.86 0.00 3.49 4.76 0.52 -4.95 118.16 118.32 2pqe n LYS 136 Ca 0.06 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 2pqe n LYS 136 Cb 0.38 -4.85 0.00 0.00 -1.84 0.00 0.00 35.03 28.72 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 -3.82 0.00 0.00 -0.35 4.77 -0.66 -4.62 117.00 112.31 2pqe n LEU 137 Ca -0.10 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2pqe n LEU 137 Cb 0.61 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2pqe n LEU 137 CO 0.64 -0.15 0.00 0.59 -1.33 0.00 0.00 177.39 177.14 2pqe n ASN 138 N -0.98 0.00 -0.28 -1.43 3.02 -1.25 -4.81 115.26 109.53 2pqe n ASN 138 Ca 0.00 0.00 0.26 0.00 -0.03 0.00 0.00 54.58 54.81 2pqe n ASN 138 Cb 0.00 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 39.77 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 0.53 -0.69 2.41 3.07 -1.28 0.43 117.51 121.98 2pqe h ILE 139 Ca 0.00 -0.08 -0.38 0.00 1.55 0.00 0.00 64.86 65.95 2pqe h ILE 139 Cb 0.00 0.28 -0.21 0.00 -0.27 0.00 0.00 36.82 36.62 2pqe h ILE 139 CO 0.00 0.04 0.49 0.79 -1.05 0.00 0.00 178.15 178.42 2pqe n TRP 140 N -4.44 2.16 -0.98 0.16 5.03 -1.26 -4.37 117.44 113.73 2pqe n TRP 140 Ca 0.23 -1.64 -0.16 0.00 3.03 0.00 0.00 57.50 58.95 2pqe n TRP 140 Cb 0.94 -0.83 0.21 0.00 -1.03 0.00 0.00 31.31 30.60 2pqe n TRP 140 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 2pqe n SER 141 N -0.54 4.05 -1.06 -0.99 3.41 0.15 -4.14 113.62 114.50 2pqe n SER 141 Ca 0.42 -3.35 -0.06 0.00 -0.26 0.00 0.00 58.87 55.63 2pqe n SER 141 Cb 1.17 -0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 2pqe n SER 141 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2pqe n GLU 142 N -0.68 0.10 -3.72 4.33 0.28 -1.26 -5.06 120.64 114.63 2pqe n GLU 142 Ca 0.49 -0.87 -0.36 0.00 -0.16 0.00 0.00 57.16 56.26 2pqe n GLU 142 Cb 1.49 0.49 -0.09 0.00 1.43 0.00 0.00 31.44 34.75 2pqe n GLU 142 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2pqe s ASP 143 N -0.86 5.25 0.47 -1.84 2.15 -1.26 -5.07 116.67 115.51 2pqe s ASP 143 Ca 0.01 -2.96 0.06 0.00 0.43 0.00 0.00 52.55 50.08 2pqe s ASP 143 Cb 0.03 -1.85 -0.02 0.00 -0.30 0.00 0.00 42.92 40.79 2pqe s ASP 143 CO -0.01 -0.34 0.22 0.21 -0.17 0.00 0.00 175.17 175.08 2pqe s ASN 144 N 0.53 4.45 0.45 -0.34 2.47 -1.26 -5.10 114.94 116.14 2pqe s ASN 144 Ca 0.18 -1.23 -0.23 0.00 0.42 0.00 0.00 52.86 52.00 2pqe s ASN 144 Cb -0.19 -0.02 -0.08 0.00 -1.45 0.00 0.00 41.25 39.51 2pqe s ASN 144 CO -0.04 -0.78 1.16 0.00 -3.72 0.00 0.00 177.10 173.72 2pqe s ALA 145 N -2.70 3.00 -0.04 1.71 0.00 -1.26 -4.95 121.76 117.52 2pqe s ALA 145 Ca 0.33 0.92 0.06 0.00 0.00 0.00 0.00 51.96 53.27 2pqe s ALA 145 Cb 0.01 -3.37 0.12 0.00 0.00 0.00 0.00 23.12 19.88 2pqe s ALA 145 CO 0.19 -0.61 1.09 -0.25 0.00 0.00 0.00 175.76 176.17 2pqe n ASP 146 N -0.41 -0.70 -4.13 0.00 8.00 -1.26 -5.05 116.55 113.01 2pqe n ASP 146 Ca 0.07 -2.02 -0.38 0.00 0.71 0.00 0.00 54.79 53.17 2pqe n ASP 146 Cb 0.48 0.24 -0.07 0.00 -0.02 0.00 0.00 41.12 41.74 2pqe n ASP 146 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2pqe s SER 147 N -1.22 5.69 0.07 -2.24 0.15 -1.26 -5.00 113.70 109.88 2pqe s SER 147 Ca 0.07 -3.12 0.00 0.00 0.70 0.00 0.00 55.95 53.60 2pqe s SER 147 Cb 0.11 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 2pqe s SER 147 CO -0.04 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2pqe n GLY 148 N 3.18 0.83 0.00 9.45 0.00 -1.26 -5.34 105.19 112.04 2pqe n GLY 148 Ca 0.13 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2pqe n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14