#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 3.09 -0.01 0.00 -2.24 -1.26 -4.59 114.28 109.27 2pqe n THR 2 Ca 0.00 -2.30 -0.01 0.00 -2.27 0.00 0.00 64.05 59.47 2pqe n THR 2 Cb 0.00 -0.53 -0.00 0.00 -2.10 0.00 0.00 70.33 67.70 2pqe n THR 2 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2pqe n SER 3 N -1.11 0.34 -4.08 3.42 2.88 -1.26 -5.11 113.62 108.71 2pqe n SER 3 Ca 0.54 0.05 -0.25 0.00 -1.33 0.00 0.00 58.87 57.88 2pqe n SER 3 Cb 1.39 -0.38 -0.08 0.00 -0.75 0.00 0.00 64.21 64.40 2pqe n SER 3 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2pqe s THR 4 N -1.33 0.57 -0.22 2.46 -4.23 -1.26 -5.15 115.64 106.47 2pqe s THR 4 Ca -0.04 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.44 2pqe s THR 4 Cb 0.01 -2.38 0.11 0.00 1.34 0.00 0.00 72.50 71.58 2pqe s THR 4 CO 0.06 0.00 0.27 -0.75 -0.54 0.00 0.00 174.62 173.66 2pqe s LYS 5 N -3.70 0.24 -0.45 3.99 2.36 -1.26 -4.93 119.74 115.99 2pqe s LYS 5 Ca 0.26 0.28 0.06 0.00 -2.55 0.00 0.00 55.97 54.02 2pqe s LYS 5 Cb 0.03 -0.97 0.21 0.00 -1.05 0.00 0.00 37.83 36.04 2pqe s LYS 5 CO 0.15 -0.67 0.58 1.63 1.55 0.00 0.00 175.35 178.59 2pqe n LYS 6 N 5.33 0.51 -3.61 4.03 5.02 -1.26 -5.05 118.16 123.13 2pqe n LYS 6 Ca -0.05 -2.64 -0.27 0.00 -2.02 0.00 0.00 58.31 53.33 2pqe n LYS 6 Cb 0.50 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.93 2pqe n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pqe s LEU 7 N -0.20 2.91 -0.15 -0.35 1.43 -1.26 -5.08 118.68 115.99 2pqe s LEU 7 Ca 0.33 -3.42 0.02 0.00 -1.03 0.00 0.00 54.13 50.03 2pqe s LEU 7 Cb 0.10 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.37 2pqe s LEU 7 CO -0.15 -0.13 -0.22 -2.28 0.23 0.00 0.00 176.35 173.80 2pqe s HIS 8 N -0.62 2.69 0.79 0.29 2.46 -1.26 -5.12 115.29 114.52 2pqe s HIS 8 Ca 0.29 -1.37 -0.11 0.00 0.47 0.00 0.00 55.06 54.34 2pqe s HIS 8 Cb 0.00 -1.83 0.07 0.00 -0.13 0.00 0.00 32.58 30.69 2pqe s HIS 8 CO -0.19 -0.63 1.12 -1.59 -2.47 0.00 0.00 174.74 170.98 2pqe s LYS 9 N 0.87 2.03 -0.30 2.88 0.00 -1.26 -4.83 119.74 119.13 2pqe s LYS 9 Ca -0.06 1.34 -0.17 0.00 0.00 0.00 0.00 55.97 57.08 2pqe s LYS 9 Cb -0.15 -1.86 0.20 0.00 0.00 0.00 0.00 37.83 36.02 2pqe s LYS 9 CO -0.03 -1.84 1.26 -2.00 0.00 0.00 0.00 175.35 172.74 2pqe s GLU 10 N -4.65 0.07 0.00 1.78 2.12 -0.12 -4.76 118.70 113.14 2pqe s GLU 10 Ca 0.64 0.11 0.00 0.00 0.36 0.00 0.00 54.97 56.09 2pqe s GLU 10 Cb -0.20 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.21 2pqe s GLU 10 CO 0.54 -0.01 0.00 0.00 -0.54 0.00 0.00 175.26 175.24 2pqe n ALA 11 N 2.96 0.53 0.00 6.30 0.00 -1.25 -2.34 120.51 126.71 2pqe n ALA 11 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 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 -3.48 0.00 0.00 -1.03 -4.19 120.51 108.81 2pqe n ALA 12 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2pqe n ALA 12 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2pqe n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pqe s THR 13 N 0.00 0.00 0.28 0.00 2.01 -1.06 -4.34 115.64 112.54 2pqe s THR 13 Ca 0.00 -0.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.79 2pqe s THR 13 Cb 0.00 -0.83 -0.09 0.00 0.01 0.00 0.00 72.50 71.59 2pqe s THR 13 CO 0.00 -0.01 0.77 -1.48 -0.69 0.00 0.00 174.62 173.20 2pqe s LEU 14 N 0.06 4.21 -0.24 4.42 0.05 -1.26 0.16 118.68 126.08 2pqe s LEU 14 Ca -0.02 1.43 -0.16 0.00 0.05 0.00 0.00 54.13 55.43 2pqe s LEU 14 Cb -0.04 -3.88 -0.13 0.00 -2.05 0.00 0.00 46.19 40.09 2pqe s LEU 14 CO 0.02 -0.09 -0.19 -0.38 -0.55 0.00 0.00 176.35 175.16 2pqe n ILE 15 N 0.21 1.52 -3.65 1.48 -0.00 0.35 -4.79 119.36 114.48 2pqe n ILE 15 Ca 0.01 -0.19 0.01 0.00 -0.00 0.00 0.00 62.75 62.58 2pqe n ILE 15 Cb 0.52 -2.01 -0.06 0.00 -0.00 0.00 0.00 39.64 38.08 2pqe n ILE 15 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2pqe s LYS 16 N -2.50 0.03 0.19 0.38 2.36 -1.03 -5.00 119.74 114.17 2pqe s LYS 16 Ca -0.33 0.04 -0.30 0.00 -2.55 0.00 0.00 55.97 52.83 2pqe s LYS 16 Cb 0.10 0.01 -0.08 0.00 -1.05 0.00 0.00 37.83 36.81 2pqe s LYS 16 CO 0.49 -0.00 0.94 0.00 1.55 0.00 0.00 175.35 178.33 2pqe s ALA 17 N 0.72 3.31 -0.09 3.13 0.00 -1.26 -1.16 121.76 126.41 2pqe s ALA 17 Ca -0.03 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.58 2pqe s ALA 17 Cb -0.03 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 2pqe s ALA 17 CO -0.11 0.13 -0.01 1.51 0.00 0.00 0.00 175.76 177.28 2pqe n ILE 18 N 1.93 0.60 -2.72 0.00 0.13 0.32 -4.86 119.36 114.75 2pqe n ILE 18 Ca -0.01 -0.32 -0.08 0.00 -1.10 0.00 0.00 62.75 61.24 2pqe n ILE 18 Cb 0.48 -0.81 0.08 0.00 -0.84 0.00 0.00 39.64 38.55 2pqe n ILE 18 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 2pqe n ASP 19 N -2.48 -0.75 0.00 9.51 8.00 0.79 -4.98 116.55 126.64 2pqe n ASP 19 Ca -0.16 -2.68 0.00 0.00 0.71 0.00 0.00 54.79 52.66 2pqe n ASP 19 Cb 0.75 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 42.38 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 -0.30 -0.00 0.21 0.44 0.00 -1.26 -2.39 105.19 101.89 2pqe n GLY 20 Ca 0.03 0.44 0.10 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 -3.61 1.61 3.04 -1.89 -3.41 116.42 112.15 2pqe h ASP 21 Ca 0.00 0.00 -0.70 0.00 -3.24 0.00 0.00 57.03 53.09 2pqe h ASP 21 Cb 0.00 0.00 -0.25 0.00 -1.04 0.00 0.00 39.33 38.04 2pqe h ASP 21 CO 0.00 0.18 -0.55 -0.89 -2.04 0.00 0.00 179.24 175.94 2pqe s THR 22 N -3.34 4.35 -0.03 1.15 2.01 -1.00 0.70 115.64 119.47 2pqe s THR 22 Ca 0.04 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 61.08 2pqe s THR 22 Cb 0.08 -3.39 0.02 0.00 0.01 0.00 0.00 72.50 69.21 2pqe s THR 22 CO 0.66 -0.15 0.25 0.54 -0.69 0.00 0.00 174.62 175.23 2pqe s VAL 23 N 1.52 0.05 -0.45 3.82 0.11 0.09 -0.15 120.40 125.40 2pqe s VAL 23 Ca 0.02 -0.42 -0.26 0.00 -2.93 0.00 0.00 61.98 58.39 2pqe s VAL 23 Cb -0.19 -0.50 0.03 0.00 -1.53 0.00 0.00 36.38 34.18 2pqe s VAL 23 CO 0.05 -0.23 0.93 -0.54 -3.33 0.00 0.00 175.10 171.98 2pqe s LYS 24 N -0.99 3.58 -0.11 1.54 1.02 -0.31 0.10 119.74 124.58 2pqe s LYS 24 Ca -0.11 0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.11 2pqe s LYS 24 Cb -0.05 -3.91 -0.02 0.00 -0.52 0.00 0.00 37.83 33.33 2pqe s LYS 24 CO 0.03 -1.20 -0.11 -1.17 -0.92 0.00 0.00 175.35 171.98 2pqe s LEU 25 N 3.75 2.84 -0.68 3.17 0.20 0.10 0.13 118.68 128.19 2pqe s LEU 25 Ca 0.38 -0.24 -0.26 0.00 0.69 0.00 0.00 54.13 54.70 2pqe s LEU 25 Cb -0.10 -1.63 0.04 0.00 -0.43 0.00 0.00 46.19 44.07 2pqe s LEU 25 CO 0.26 0.23 1.17 -0.04 -0.29 0.00 0.00 176.35 177.67 2pqe s MET 26 N -0.02 3.24 -0.02 1.98 -1.94 0.43 -1.10 119.30 121.87 2pqe s MET 26 Ca -0.02 -0.29 0.00 0.00 -1.71 0.00 0.00 55.69 53.67 2pqe s MET 26 Cb -0.14 -4.15 -0.04 0.00 2.01 0.00 0.00 34.83 32.51 2pqe s MET 26 CO 0.04 -1.94 0.01 -0.47 -0.01 0.00 0.00 175.02 172.65 2pqe s TYR 27 N 5.08 3.13 -0.42 -0.03 6.14 0.22 -2.55 117.35 128.91 2pqe s TYR 27 Ca 0.33 0.13 0.00 0.00 0.64 0.00 0.00 57.07 58.17 2pqe s TYR 27 Cb -0.10 -1.71 0.00 0.00 0.42 0.00 0.00 41.96 40.57 2pqe s TYR 27 CO 0.16 0.48 0.00 0.36 0.64 0.00 0.00 175.55 177.19 2pqe n LYS 28 N 1.56 -2.38 -0.64 4.97 2.85 -1.26 0.12 118.16 123.38 2pqe n LYS 28 Ca -0.15 0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2pqe n LYS 28 Cb 0.53 -4.69 0.00 0.00 -0.65 0.00 0.00 35.03 30.22 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 -0.51 0.61 2.87 2.58 0.00 -1.26 -5.06 105.19 104.41 2pqe n GLY 29 Ca -0.05 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.19 0.38 -0.72 1.61 -2.07 0.32 -5.10 119.66 112.90 2pqe s GLN 30 Ca 0.00 -0.02 -0.27 0.00 -1.82 0.00 0.00 55.36 53.25 2pqe s GLN 30 Cb 0.00 -0.46 0.03 0.00 -1.09 0.00 0.00 33.01 31.49 2pqe s GLN 30 CO 0.00 -0.05 1.24 0.00 -1.32 0.00 0.00 175.29 175.16 2pqe s ALA 31 N 0.61 2.81 0.16 2.60 0.00 -1.26 0.72 121.76 127.39 2pqe s ALA 31 Ca -0.06 -1.35 0.09 0.00 0.00 0.00 0.00 51.96 50.64 2pqe s ALA 31 Cb -0.10 -4.20 -0.04 0.00 0.00 0.00 0.00 23.12 18.78 2pqe s ALA 31 CO -0.01 -3.18 -0.12 0.00 0.00 0.00 0.00 175.76 172.45 2pqe s MET 32 N 5.52 1.97 -0.39 0.00 0.23 -0.26 -4.90 119.30 121.47 2pqe s MET 32 Ca 0.35 -1.23 -0.29 0.00 -1.03 0.00 0.00 55.69 53.49 2pqe s MET 32 Cb -0.09 -2.15 0.02 0.00 -1.53 0.00 0.00 34.83 31.09 2pqe s MET 32 CO 0.16 0.45 1.10 0.99 -2.03 0.00 0.00 175.02 175.69 2pqe s THR 33 N -1.51 4.37 0.05 3.16 2.01 -1.26 0.03 115.64 122.48 2pqe s THR 33 Ca 0.23 1.49 -0.08 0.00 0.31 0.00 0.00 61.69 63.64 2pqe s THR 33 Cb -0.09 -4.50 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 2pqe s THR 33 CO 0.14 -0.73 0.33 -0.36 -0.69 0.00 0.00 174.62 173.30 2pqe s PHE 34 N 4.03 3.57 -0.10 4.92 0.40 0.28 0.66 117.98 131.75 2pqe s PHE 34 Ca 0.46 0.65 -0.00 0.00 -0.60 0.00 0.00 56.93 57.44 2pqe s PHE 34 Cb -0.10 -2.05 0.02 0.00 0.51 0.00 0.00 43.02 41.40 2pqe s PHE 34 CO 0.23 0.56 -0.07 1.03 0.70 0.00 0.00 175.22 177.67 2pqe s ARG 35 N -1.89 1.38 -0.15 0.44 1.81 -0.83 -0.73 118.95 118.98 2pqe s ARG 35 Ca 0.31 -0.22 -0.33 0.00 -1.72 0.00 0.00 55.73 53.77 2pqe s ARG 35 Cb -0.13 -1.43 -0.10 0.00 -0.45 0.00 0.00 34.95 32.84 2pqe s ARG 35 CO 0.18 -0.22 2.01 -0.11 -0.68 0.00 0.00 175.30 176.48 2pqe n LEU 36 N 4.74 3.23 -4.74 2.53 0.00 0.22 -1.22 117.00 121.76 2pqe n LEU 36 Ca -0.14 0.72 -0.41 0.00 0.00 0.00 0.00 56.01 56.18 2pqe n LEU 36 Cb 0.50 -1.40 -0.04 0.00 0.00 0.00 0.00 43.42 42.48 2pqe n LEU 36 CO 0.17 -0.27 0.77 -0.76 0.00 0.00 0.00 177.39 177.31 2pqe s LEU 37 N 5.49 4.50 -2.02 -1.96 1.43 -0.83 -3.24 118.68 122.04 2pqe s LEU 37 Ca 0.97 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 56.14 2pqe s LEU 37 Cb -0.64 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 41.98 2pqe s LEU 37 CO 0.48 -0.18 0.00 0.18 0.23 0.00 0.00 176.35 177.06 2pqe n LEU 38 N 2.26 -1.73 -3.88 1.79 4.77 -1.26 -4.79 117.00 114.16 2pqe n LEU 38 Ca 0.02 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 2pqe n LEU 38 Cb 0.46 -2.91 -0.12 0.00 -2.33 0.00 0.00 43.42 38.52 2pqe n LEU 38 CO 0.53 -0.68 -0.28 -0.69 -1.33 0.00 0.00 177.39 174.94 2pqe s VAL 39 N -2.91 0.03 -0.23 4.08 1.01 -1.20 -2.34 120.40 118.84 2pqe s VAL 39 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 2pqe s VAL 39 Cb 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 36.38 36.26 2pqe s VAL 39 CO 0.00 -0.15 -0.01 -0.62 0.00 0.00 0.00 175.10 174.32 2pqe s ASP 40 N -0.44 3.62 -0.74 3.32 -1.08 -0.82 -4.66 116.67 115.88 2pqe s ASP 40 Ca -0.05 -1.15 -0.07 0.00 -0.52 0.00 0.00 52.55 50.77 2pqe s ASP 40 Cb -0.03 -1.00 0.19 0.00 -1.46 0.00 0.00 42.92 40.62 2pqe s ASP 40 CO 0.00 -0.28 0.61 -0.89 0.52 0.00 0.00 175.17 175.13 2pqe s THR 41 N 1.53 4.50 0.06 1.71 2.01 -1.26 -1.58 115.64 122.61 2pqe s THR 41 Ca -0.03 -2.91 0.00 0.00 0.31 0.00 0.00 61.69 59.06 2pqe s THR 41 Cb -0.18 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.48 2pqe s THR 41 CO -0.08 -0.96 0.00 0.00 -0.69 0.00 0.00 174.62 172.88 2pqe n ALA 42 N 3.50 -1.43 0.00 7.40 0.00 -1.26 -4.15 120.51 124.57 2pqe n ALA 42 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2pqe n ALA 42 Cb 0.41 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2pqe n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2pqe n GLU 43 N -1.07 0.00 -2.74 0.00 4.07 -1.26 -4.97 120.64 114.67 2pqe n GLU 43 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 2pqe n GLU 43 Cb 0.01 -0.09 -0.03 0.00 -0.06 0.00 0.00 31.44 31.27 2pqe n GLU 43 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2pqe n THR 44 N -2.19-10.23 -1.16 6.31 -2.24 -1.26 -4.93 114.28 98.58 2pqe n THR 44 Ca 0.00 2.03 0.04 0.00 -2.27 0.00 0.00 64.05 63.84 2pqe n THR 44 Cb 0.00 -5.79 0.23 0.00 -2.10 0.00 0.00 70.33 62.67 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 1.61 2.48 -0.47 -0.78 2.85 -1.26 -5.01 118.16 117.58 2pqe n LYS 45 Ca -0.24 -2.95 0.00 0.00 -1.05 0.00 0.00 58.31 54.06 2pqe n LYS 45 Cb 0.41 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 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 -0.77 -0.17 -2.57 5.58 -0.00 -1.26 -5.08 115.22 110.95 2pqe n HIS 46 Ca 0.26 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.29 2pqe n HIS 46 Cb 0.95 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.84 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 1.60 0.04 3.57 -1.04 -1.26 -4.86 114.28 112.33 2pqe n THR 47 Ca 0.00 -3.77 -0.19 0.00 -2.04 0.00 0.00 64.05 58.05 2pqe n THR 47 Cb 0.00 -0.06 -0.14 0.00 -1.82 0.00 0.00 70.33 68.31 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 2.76 0.28 0.00 -2.82 3.64 -2.01 -3.47 116.57 114.94 2pqe h LYS 48 Ca 0.07 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2pqe h LYS 48 Cb 1.13 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2pqe h LYS 48 CO 0.60 1.22 0.00 0.36 -2.27 0.00 0.00 179.45 179.36 2pqe n LYS 49 N -4.17 0.00 0.00 1.90 -0.00 -1.26 -5.00 118.16 109.63 2pqe n LYS 49 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 2pqe n LYS 49 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.82 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 0.00 1.85 1.20 2.58 0.00 -1.26 -5.00 105.19 104.55 2pqe n GLY 50 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2pqe n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pqe n VAL 51 N 0.00 0.00 0.07 1.61 0.31 -1.26 -2.85 118.33 116.21 2pqe n VAL 51 Ca 0.00 -0.40 -0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2pqe n VAL 51 Cb 0.00 0.70 0.30 0.00 -0.91 0.00 0.00 33.84 33.93 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 0.40 0.33 -0.43 5.55 4.11 -1.97 -3.12 114.58 119.45 2pqe h GLU 52 Ca -0.43 -0.10 -0.32 0.00 0.07 0.00 0.00 59.36 58.58 2pqe h GLU 52 Cb 1.60 -0.03 -0.30 0.00 0.50 0.00 0.00 28.75 30.52 2pqe h GLU 52 CO -0.13 0.52 -0.80 0.36 0.07 0.00 0.00 179.01 179.03 2pqe n LYS 53 N -4.19 2.45 -3.39 1.06 0.00 -1.26 -4.92 118.16 107.91 2pqe n LYS 53 Ca -0.00 -3.64 -0.18 0.00 -0.00 0.00 0.00 58.31 54.49 2pqe n LYS 53 Cb 0.34 -1.80 0.08 0.00 -0.00 0.00 0.00 35.03 33.65 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 -0.70 -2.24 -0.02 5.58 4.01 -1.18 -4.71 117.16 117.90 2pqe n TYR 54 Ca 0.28 0.90 -0.16 0.00 -0.16 0.00 0.00 57.90 58.76 2pqe n TYR 54 Cb 0.88 -4.85 -0.13 0.00 -0.31 0.00 0.00 39.34 34.93 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 -2.00 0.20 1.00 2.72 0.00 -1.80 -2.79 103.07 100.41 2pqe h GLY 55 Ca -0.55 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.35 2pqe h GLY 55 CO 0.48 0.36 0.32 0.00 0.00 0.00 0.00 176.54 177.70 2pqe h ALA 56 N 0.16 0.83 -0.10 3.60 0.00 -1.88 -2.33 119.26 119.54 2pqe h ALA 56 Ca -0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2pqe h ALA 56 Cb 1.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2pqe h ALA 56 CO 0.07 0.39 -0.24 1.49 0.00 0.00 0.00 179.25 180.96 2pqe h GLU 57 N 0.89 0.17 0.08 0.00 4.57 -1.90 -1.95 114.58 116.45 2pqe h GLU 57 Ca 0.22 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2pqe h GLU 57 Cb 0.11 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2pqe h GLU 57 CO -0.03 0.41 -0.04 0.00 -1.18 0.00 0.00 179.01 178.17 2pqe h ALA 58 N 1.60 -0.11 -0.38 2.92 0.00 -1.13 0.14 119.26 122.30 2pqe h ALA 58 Ca 0.03 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2pqe h ALA 58 Cb 0.52 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2pqe h ALA 58 CO 0.04 -0.56 -0.27 1.03 0.00 0.00 0.00 179.25 179.49 2pqe h SER 59 N -0.12 0.82 -0.21 0.00 0.87 -1.39 -2.71 113.55 110.81 2pqe h SER 59 Ca -0.01 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 2pqe h SER 59 Cb 0.10 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 2pqe h SER 59 CO 0.02 1.05 0.06 0.00 -0.53 0.00 0.00 176.83 177.43 2pqe h ALA 60 N 1.01 0.28 -0.41 6.23 0.00 -1.15 0.99 119.26 126.22 2pqe h ALA 60 Ca 0.08 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2pqe h ALA 60 Cb 0.80 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2pqe h ALA 60 CO 0.07 -0.09 0.19 0.35 0.00 0.00 0.00 179.25 179.77 2pqe h PHE 61 N 0.17 0.35 -0.10 0.00 3.04 -0.69 0.30 116.94 120.02 2pqe h PHE 61 Ca 0.07 0.02 -0.24 0.00 3.98 0.00 0.00 57.97 61.80 2pqe h PHE 61 Cb 0.24 -0.10 0.01 0.00 2.56 0.00 0.00 35.95 38.66 2pqe h PHE 61 CO 0.00 0.18 -0.87 1.15 -2.02 0.00 0.00 178.31 176.75 2pqe h THR 62 N 0.39 1.28 -0.35 4.41 2.02 -1.39 -0.13 112.91 119.15 2pqe h THR 62 Ca 0.18 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.28 2pqe h THR 62 Cb 0.10 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 2pqe h THR 62 CO -0.14 0.65 0.23 0.50 0.37 0.00 0.00 175.52 177.13 2pqe h LYS 63 N 0.48 0.46 0.01 6.66 3.64 0.14 0.62 116.57 128.59 2pqe h LYS 63 Ca -0.08 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.06 2pqe h LYS 63 Cb 1.51 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 2pqe h LYS 63 CO 0.17 0.32 -0.93 1.57 -2.27 0.00 0.00 179.45 178.32 2pqe h LYS 64 N 0.47 0.28 -0.13 1.90 5.09 -0.46 -2.14 116.57 121.57 2pqe h LYS 64 Ca 0.13 -0.31 -0.17 0.00 0.09 0.00 0.00 60.65 60.39 2pqe h LYS 64 Cb -0.04 0.09 -0.01 0.00 0.10 0.00 0.00 32.23 32.38 2pqe h LYS 64 CO -0.03 1.03 -0.62 1.98 -2.09 0.00 0.00 179.45 179.72 2pqe h MET 65 N 0.15 0.48 0.03 0.07 4.05 -0.74 -0.27 114.93 118.70 2pqe h MET 65 Ca -0.06 -0.34 -0.11 0.00 -0.28 0.00 0.00 59.70 58.91 2pqe h MET 65 Cb 1.57 0.05 0.01 0.00 -0.80 0.00 0.00 31.60 32.43 2pqe h MET 65 CO 0.15 0.95 -0.45 -0.39 0.23 0.00 0.00 176.91 177.40 2pqe h VAL 66 N 0.35 1.53 -0.20 -5.77 -1.51 0.20 -1.46 116.25 109.40 2pqe h VAL 66 Ca -0.01 -2.17 -0.15 0.00 -1.23 0.00 0.00 66.70 63.14 2pqe h VAL 66 Cb 1.17 2.90 -0.01 0.00 -2.13 0.00 0.00 31.29 33.23 2pqe h VAL 66 CO 0.11 0.61 -0.50 1.05 -1.23 0.00 0.00 177.57 177.61 2pqe h GLU 67 N -0.42 0.54 0.00 5.19 -0.00 -1.46 -3.07 114.58 115.36 2pqe h GLU 67 Ca -0.07 -0.32 -0.12 0.00 -0.00 0.00 0.00 59.36 58.86 2pqe h GLU 67 Cb 1.24 0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 30.00 2pqe h GLU 67 CO 0.09 0.91 -0.58 -0.97 -0.00 0.00 0.00 179.01 178.46 2pqe h ASN 68 N 0.42 0.00 -0.70 3.06 -1.24 -1.15 -3.26 115.58 112.71 2pqe h ASN 68 Ca 0.02 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 2pqe h ASN 68 Cb 1.02 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.04 2pqe h ASN 68 CO 0.09 0.58 0.28 0.00 -1.29 0.00 0.00 177.43 177.09 2pqe h ALA 69 N 1.42 1.13 0.00 1.57 0.00 -1.17 -3.46 119.26 118.75 2pqe h ALA 69 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2pqe h ALA 69 Cb 1.42 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2pqe h ALA 69 CO 0.08 0.62 0.00 1.63 0.00 0.00 0.00 179.25 181.58 2pqe n LYS 70 N -4.28 0.00 -3.87 0.00 4.76 -1.20 -4.49 118.16 109.08 2pqe n LYS 70 Ca 0.06 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.25 2pqe n LYS 70 Cb 0.19 -1.30 -0.17 0.00 -1.84 0.00 0.00 35.03 31.91 2pqe n LYS 70 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2pqe s LYS 71 N 0.00 1.27 -0.05 1.97 2.20 -1.26 -4.92 119.74 118.94 2pqe s LYS 71 Ca 0.00 -0.16 0.06 0.00 -0.36 0.00 0.00 55.97 55.51 2pqe s LYS 71 Cb 0.00 -1.43 -0.01 0.00 -1.51 0.00 0.00 37.83 34.88 2pqe s LYS 71 CO 0.00 -0.28 -0.22 0.42 -0.36 0.00 0.00 175.35 174.90 2pqe s ILE 72 N 1.78 1.83 -0.00 5.43 1.09 -1.26 0.94 121.20 131.01 2pqe s ILE 72 Ca 0.05 -0.94 0.04 0.00 -1.10 0.00 0.00 60.65 58.69 2pqe s ILE 72 Cb -0.13 -1.55 -0.01 0.00 -1.06 0.00 0.00 42.46 39.71 2pqe s ILE 72 CO -0.07 0.51 -0.12 -1.61 -0.10 0.00 0.00 174.94 173.55 2pqe s GLU 73 N -0.11 0.92 0.09 2.79 8.01 0.47 -2.48 118.70 128.39 2pqe s GLU 73 Ca -0.03 -0.47 0.09 0.00 0.01 0.00 0.00 54.97 54.57 2pqe s GLU 73 Cb -0.13 -0.90 -0.03 0.00 -4.31 0.00 0.00 34.13 28.76 2pqe s GLU 73 CO 0.03 0.24 -0.23 0.14 0.01 0.00 0.00 175.26 175.45 2pqe s VAL 74 N -0.38 1.86 -0.17 2.63 -7.23 -0.99 0.77 120.40 116.89 2pqe s VAL 74 Ca 0.04 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2pqe s VAL 74 Cb -0.05 -1.66 0.04 0.00 0.56 0.00 0.00 36.38 35.27 2pqe s VAL 74 CO -0.00 0.06 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.06 2pqe s GLU 75 N -1.75 1.78 0.03 4.82 2.56 -0.93 -0.94 118.70 124.27 2pqe s GLU 75 Ca 0.09 -0.62 -0.27 0.00 0.00 0.00 0.00 54.97 54.17 2pqe s GLU 75 Cb -0.10 -2.14 -0.05 0.00 2.00 0.00 0.00 34.13 33.84 2pqe s GLU 75 CO 0.04 -0.39 0.83 -0.06 -0.56 0.00 0.00 175.26 175.12 2pqe s PHE 76 N 1.53 3.71 0.11 5.30 0.08 -1.26 -2.25 117.98 125.20 2pqe s PHE 76 Ca 0.01 1.55 -0.02 0.00 0.12 0.00 0.00 56.93 58.59 2pqe s PHE 76 Cb -0.15 -2.92 0.03 0.00 -0.57 0.00 0.00 43.02 39.41 2pqe s PHE 76 CO -0.08 0.18 0.13 -0.25 -0.10 0.00 0.00 175.22 175.10 2pqe n ASP 77 N 3.16 -0.35 -1.59 1.36 9.92 -1.26 -4.96 116.55 122.82 2pqe n ASP 77 Ca 0.00 -0.90 0.09 0.00 -0.53 0.00 0.00 54.79 53.45 2pqe n ASP 77 Cb 0.50 -0.11 0.35 0.00 -0.64 0.00 0.00 41.12 41.23 2pqe n ASP 77 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2pqe n LYS 78 N -1.47 3.78 0.00 -1.24 0.00 -1.26 -4.70 118.16 113.27 2pqe n LYS 78 Ca 0.02 -2.78 0.00 0.00 -0.00 0.00 0.00 58.31 55.55 2pqe n LYS 78 Cb 0.06 -1.93 0.00 0.00 -0.00 0.00 0.00 35.03 33.16 2pqe n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pqe n GLY 79 N 1.04 0.73 3.07 2.58 0.00 -1.18 -4.72 105.19 106.71 2pqe n GLY 79 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.22 0.19 1.61 -2.07 -1.26 -4.82 119.66 113.52 2pqe s GLN 80 Ca 0.00 0.26 -0.03 0.00 -1.82 0.00 0.00 55.36 53.77 2pqe s GLN 80 Cb 0.00 0.11 0.10 0.00 -1.09 0.00 0.00 33.01 32.12 2pqe s GLN 80 CO 0.00 -0.03 1.48 -0.09 -1.32 0.00 0.00 175.29 175.34 2pqe h ARG 81 N 5.86 0.52 -3.30 9.60 2.43 -1.91 -3.40 114.38 124.18 2pqe h ARG 81 Ca -0.25 -0.35 -0.57 0.00 -0.81 0.00 0.00 59.98 58.00 2pqe h ARG 81 Cb 1.20 0.05 -0.40 0.00 -0.42 0.00 0.00 29.97 30.40 2pqe h ARG 81 CO 0.39 0.96 -0.76 0.95 -1.51 0.00 0.00 179.97 180.00 2pqe s THR 82 N -3.90 0.56 0.01 0.20 -4.23 -1.25 0.79 115.64 107.82 2pqe s THR 82 Ca -0.07 -1.20 -0.02 0.00 -1.18 0.00 0.00 61.69 59.22 2pqe s THR 82 Cb 0.11 -1.44 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 2pqe s THR 82 CO 0.84 -0.70 1.03 -0.78 -0.54 0.00 0.00 174.62 174.48 2pqe h ASP 83 N 8.18 -0.10 0.00 3.99 1.82 -1.83 -3.43 116.42 125.05 2pqe h ASP 83 Ca -0.16 0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.41 2pqe h ASP 83 Cb 1.01 0.04 -0.08 0.00 0.68 0.00 0.00 39.33 40.98 2pqe h ASP 83 CO 0.46 -0.03 -0.17 2.29 -1.61 0.00 0.00 179.24 180.18 2pqe n LYS 84 N -2.71 0.19 -0.77 0.28 0.00 -1.26 -4.96 118.16 108.93 2pqe n LYS 84 Ca -0.00 -0.63 0.01 0.00 -0.00 0.00 0.00 58.31 57.68 2pqe n LYS 84 Cb 0.02 0.45 0.00 0.00 -0.00 0.00 0.00 35.03 35.50 2pqe n LYS 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2pqe n TYR 85 N -0.21 0.00 -2.01 5.58 4.01 -1.26 -4.99 117.16 118.28 2pqe n TYR 85 Ca -0.16 -0.14 -0.13 0.00 -0.16 0.00 0.00 57.90 57.32 2pqe n TYR 85 Cb 0.57 -0.06 -0.03 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 0.13 0.21 0.70 2.72 0.00 -1.26 -4.94 105.19 102.75 2pqe n GLY 86 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.44 0.80 -3.89 1.61 3.00 -1.26 -4.76 116.66 109.71 2pqe n ARG 87 Ca -0.15 -0.54 -0.30 0.00 -0.01 0.00 0.00 57.85 56.86 2pqe n ARG 87 Cb 0.54 -0.07 -0.12 0.00 0.00 0.00 0.00 32.46 32.81 2pqe n ARG 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2pqe s GLY 88 N -2.59 2.77 -0.18 -0.13 0.00 0.21 -3.86 107.32 103.55 2pqe s GLY 88 Ca 0.11 -3.64 -0.33 0.00 0.00 0.00 0.00 44.72 40.86 2pqe s GLY 88 CO 0.07 1.06 2.03 1.04 0.00 0.00 0.00 173.10 177.30 2pqe n LEU 89 N 2.42 3.11 0.00 0.66 4.77 0.24 -1.97 117.00 126.23 2pqe n LEU 89 Ca 0.14 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.81 2pqe n LEU 89 Cb 0.34 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 2pqe n LEU 89 CO 0.30 -0.34 0.00 0.00 -1.33 0.00 0.00 177.39 176.03 2pqe n ALA 90 N 8.44 0.00 -1.89 -1.18 0.00 -0.36 -4.38 120.51 121.14 2pqe n ALA 90 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.34 2pqe n ALA 90 Cb 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.70 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 3.81 -0.16 0.00 2.02 -0.95 -1.97 117.35 118.09 2pqe s TYR 91 Ca 0.00 1.69 -0.09 0.00 -0.37 0.00 0.00 57.07 58.30 2pqe s TYR 91 Cb 0.00 -2.83 -0.05 0.00 -0.40 0.00 0.00 41.96 38.68 2pqe s TYR 91 CO 0.00 0.37 0.15 0.42 -1.57 0.00 0.00 175.55 174.92 2pqe s ILE 92 N -1.38 5.44 -0.02 2.71 -1.09 -1.26 -2.19 121.20 123.41 2pqe s ILE 92 Ca 0.43 0.23 0.06 0.00 -2.23 0.00 0.00 60.65 59.14 2pqe s ILE 92 Cb -0.21 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 2pqe s ILE 92 CO 0.26 0.51 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.98 2pqe s TYR 93 N -0.23 1.74 -0.10 3.97 1.51 0.23 -0.74 117.35 123.73 2pqe s TYR 93 Ca 0.12 -0.33 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 2pqe s TYR 93 Cb -0.12 -1.12 -0.00 0.00 -0.11 0.00 0.00 41.96 40.61 2pqe s TYR 93 CO 0.01 -0.03 -0.23 0.00 -1.11 0.00 0.00 175.55 174.19 2pqe s ALA 94 N -0.44 2.22 -1.77 3.71 0.00 0.81 -0.40 121.76 125.89 2pqe s ALA 94 Ca 0.07 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 2pqe s ALA 94 Cb -0.08 -0.83 0.16 0.00 0.00 0.00 0.00 23.12 22.37 2pqe s ALA 94 CO -0.01 0.31 0.44 -3.47 0.00 0.00 0.00 175.76 173.04 2pqe n ASP 95 N 3.42 -1.13 -0.11 0.00 -0.08 0.27 0.15 116.55 119.07 2pqe n ASP 95 Ca -0.19 -1.23 -0.01 0.00 -1.51 0.00 0.00 54.79 51.85 2pqe n ASP 95 Cb 0.53 -1.73 -0.01 0.00 2.34 0.00 0.00 41.12 42.25 2pqe n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pqe n GLY 96 N -1.54 0.49 3.48 0.27 0.00 -1.26 -5.04 105.19 101.59 2pqe n GLY 96 Ca -0.02 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.10 1.71 -0.31 1.61 2.20 0.41 -5.12 119.74 118.13 2pqe s LYS 97 Ca 0.00 -1.80 -0.15 0.00 -0.36 0.00 0.00 55.97 53.67 2pqe s LYS 97 Cb 0.00 -1.76 -0.02 0.00 -1.51 0.00 0.00 37.83 34.53 2pqe s LYS 97 CO 0.00 0.30 0.34 -1.64 -0.36 0.00 0.00 175.35 173.99 2pqe s MET 98 N -3.53 3.73 0.24 4.03 -1.94 -1.26 -0.14 119.30 120.44 2pqe s MET 98 Ca 0.30 -0.28 0.07 0.00 -1.71 0.00 0.00 55.69 54.08 2pqe s MET 98 Cb -0.04 -3.75 0.24 0.00 2.01 0.00 0.00 34.83 33.29 2pqe s MET 98 CO 0.15 -0.42 1.54 0.28 -0.01 0.00 0.00 175.02 176.57 2pqe h VAL 99 N 5.48 1.45 -0.35 -6.03 2.07 -1.29 -2.16 116.25 115.42 2pqe h VAL 99 Ca -0.31 -2.23 -0.01 0.00 0.82 0.00 0.00 66.70 64.97 2pqe h VAL 99 Cb 1.15 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 2pqe h VAL 99 CO 0.66 0.65 0.18 -0.55 0.02 0.00 0.00 177.57 178.53 2pqe h ASN 100 N 0.07 0.45 0.34 0.57 -1.07 -1.93 -1.00 115.58 113.01 2pqe h ASN 100 Ca -0.01 -0.10 -0.21 0.00 0.07 0.00 0.00 56.30 56.04 2pqe h ASN 100 Cb 1.20 -0.11 -0.00 0.00 -2.07 0.00 0.00 38.32 37.33 2pqe h ASN 100 CO 0.09 0.42 -0.89 1.05 0.07 0.00 0.00 177.43 178.17 2pqe h GLU 101 N 0.44 0.39 -0.25 4.14 -0.00 -1.93 -2.72 114.58 114.64 2pqe h GLU 101 Ca 0.12 -0.40 -0.01 0.00 -0.00 0.00 0.00 59.36 59.07 2pqe h GLU 101 Cb 0.08 0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 28.93 2pqe h GLU 101 CO -0.02 1.07 0.13 0.00 -0.00 0.00 0.00 179.01 180.19 2pqe h ALA 102 N 0.80 0.33 0.22 1.06 0.00 -1.23 0.42 119.26 120.85 2pqe h ALA 102 Ca -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2pqe h ALA 102 Cb 1.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2pqe h ALA 102 CO 0.15 -0.12 -0.10 -0.07 0.00 0.00 0.00 179.25 179.11 2pqe h LEU 103 N 0.28 -0.25 -0.13 0.00 3.38 -1.25 -1.95 115.31 115.40 2pqe h LEU 103 Ca 0.09 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2pqe h LEU 103 Cb 0.10 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2pqe h LEU 103 CO -0.01 0.06 0.07 0.58 0.09 0.00 0.00 178.44 179.23 2pqe h VAL 104 N -0.57 1.09 -0.37 1.22 2.07 -1.47 1.09 116.25 119.30 2pqe h VAL 104 Ca -0.03 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.34 2pqe h VAL 104 Cb 0.42 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2pqe h VAL 104 CO 0.05 0.08 0.26 0.03 0.02 0.00 0.00 177.57 178.01 2pqe h ARG 105 N 0.12 0.11 0.00 1.57 2.47 -0.20 -0.77 114.38 117.68 2pqe h ARG 105 Ca 0.05 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.63 2pqe h ARG 105 Cb 0.06 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 2pqe h ARG 105 CO -0.01 0.07 -1.43 1.04 0.56 0.00 0.00 179.97 180.21 2pqe n GLN 106 N -4.45 0.62 -0.18 0.04 3.00 -0.73 -4.87 117.38 110.81 2pqe n GLN 106 Ca 0.05 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2pqe n GLN 106 Cb 0.37 -1.78 0.00 0.00 0.00 0.00 0.00 30.24 28.84 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 1.36 0.78 0.02 1.08 0.00 0.30 -4.21 105.19 104.51 2pqe n GLY 107 Ca -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.06 0.00 -4.16 0.99 7.99 0.29 -0.83 117.00 121.23 2pqe n LEU 108 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 56.01 55.77 2pqe n LEU 108 Cb 0.04 0.08 -0.15 0.00 -0.11 0.00 0.00 43.42 43.28 2pqe n LEU 108 CO 0.00 0.08 -0.49 0.00 -1.51 0.00 0.00 177.39 175.47 2pqe s ALA 109 N -2.09 1.36 0.21 -1.18 0.00 -1.21 -4.31 121.76 114.53 2pqe s ALA 109 Ca -0.02 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2pqe s ALA 109 Cb 0.01 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.86 2pqe s ALA 109 CO 0.14 0.31 0.29 0.36 0.00 0.00 0.00 175.76 176.86 2pqe n LYS 110 N 2.38 0.86 -3.40 0.00 -0.00 -0.61 -3.83 118.16 113.57 2pqe n LYS 110 Ca -0.16 -1.13 -0.42 0.00 -0.00 0.00 0.00 58.31 56.60 2pqe n LYS 110 Cb 0.54 -0.08 -0.09 0.00 -0.00 0.00 0.00 35.03 35.40 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 -0.32 5.17 0.00 0.58 1.01 -1.26 -1.94 120.40 123.65 2pqe s VAL 111 Ca 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2pqe s VAL 111 Cb -0.02 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2pqe s VAL 111 CO 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 175.10 174.99 2pqe n ALA 112 N 5.38 0.00 -3.26 5.51 0.00 -0.99 -4.90 120.51 122.26 2pqe n ALA 112 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 2pqe n ALA 112 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 2pqe n ALA 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pqe n TYR 113 N -1.98 0.17 -3.34 0.00 4.02 -1.26 -4.88 117.16 109.90 2pqe n TYR 113 Ca 0.00 -3.63 -0.37 0.00 -0.01 0.00 0.00 57.90 53.89 2pqe n TYR 113 Cb 0.00 -0.32 -0.04 0.00 -0.02 0.00 0.00 39.34 38.97 2pqe n TYR 113 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2pqe n VAL 114 N 1.50 3.84 -1.41 -0.72 0.31 -1.26 -4.88 118.33 115.70 2pqe n VAL 114 Ca 0.23 -5.46 -0.30 0.00 -0.01 0.00 0.00 64.34 58.80 2pqe n VAL 114 Cb 0.51 -2.23 0.03 0.00 -0.91 0.00 0.00 33.84 31.23 2pqe n VAL 114 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pqe n TYR 115 N 1.65 2.37 -1.79 3.52 0.18 -1.26 -3.83 117.16 117.99 2pqe n TYR 115 Ca 0.25 -2.34 0.06 0.00 1.88 0.00 0.00 57.90 57.75 2pqe n TYR 115 Cb 0.37 -1.26 0.16 0.00 -0.38 0.00 0.00 39.34 38.23 2pqe n TYR 115 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 2pqe n LYS 116 N -0.08 1.18 0.00 -3.48 0.00 -1.26 -4.93 118.16 109.59 2pqe n LYS 116 Ca 0.50 -2.93 0.00 0.00 -0.00 0.00 0.00 58.31 55.87 2pqe n LYS 116 Cb 0.51 -1.22 0.00 0.00 -0.00 0.00 0.00 35.03 34.32 2pqe n LYS 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pqe n GLY 117 N -0.74 2.48 2.40 2.58 0.00 -1.26 -4.68 105.19 105.97 2pqe n GLY 117 Ca 0.16 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 8.14 -3.12 1.61 3.02 -1.25 -3.12 115.26 120.54 2pqe n ASN 118 Ca 0.00 -2.74 -0.23 0.00 -0.03 0.00 0.00 54.58 51.58 2pqe n ASN 118 Cb 0.00 -1.52 -0.04 0.00 -0.61 0.00 0.00 39.78 37.61 2pqe n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2pqe n ASN 119 N 3.34 2.44 -0.13 6.41 0.23 -1.26 -4.76 115.26 121.53 2pqe n ASN 119 Ca 0.72 -3.28 -0.28 0.00 -0.53 0.00 0.00 54.58 51.21 2pqe n ASN 119 Cb 0.25 -0.60 -0.10 0.00 -2.08 0.00 0.00 39.78 37.25 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2pqe n THR 120 N 0.26 1.46 -0.27 5.53 -1.04 -1.26 -4.50 114.28 114.46 2pqe n THR 120 Ca 0.27 -0.38 0.06 0.00 -2.04 0.00 0.00 64.05 61.96 2pqe n THR 120 Cb 0.52 -1.85 0.29 0.00 -1.82 0.00 0.00 70.33 67.46 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 -4.17 1.40 0.27 -1.42 8.25 -1.26 -4.37 115.22 113.92 2pqe n HIS 121 Ca -0.52 -0.50 0.18 0.00 -0.26 0.00 0.00 57.72 56.62 2pqe n HIS 121 Cb 0.87 -0.34 0.95 0.00 1.12 0.00 0.00 29.99 32.59 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 2.92 0.00 -0.00 -0.41 4.81 -1.91 -2.16 114.58 117.82 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 1.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.83 2pqe h GLU 122 CO 0.31 0.00 -0.02 -0.56 -0.73 0.00 0.00 179.01 178.00 2pqe h GLN 123 N 0.00 0.02 -0.16 1.92 3.07 -1.93 -2.53 115.11 115.51 2pqe h GLN 123 Ca 0.00 -0.02 -0.13 0.00 0.09 0.00 0.00 58.65 58.59 2pqe h GLN 123 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.61 2pqe h GLN 123 CO 0.00 0.70 -0.46 1.37 0.09 0.00 0.00 178.83 180.53 2pqe h LEU 124 N -0.65 0.42 -0.51 0.06 8.10 -1.78 -2.53 115.31 118.42 2pqe h LEU 124 Ca -0.00 -0.20 -0.05 0.00 0.11 0.00 0.00 57.88 57.74 2pqe h LEU 124 Cb 0.71 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 40.79 2pqe h LEU 124 CO 0.01 0.82 0.12 -0.07 -4.11 0.00 0.00 178.44 175.21 2pqe h LEU 125 N 0.31 0.78 -0.77 0.17 3.38 -1.49 0.11 115.31 117.82 2pqe h LEU 125 Ca 0.02 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2pqe h LEU 125 Cb 0.94 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2pqe h LEU 125 CO 0.08 0.82 -0.14 0.03 0.09 0.00 0.00 178.44 179.32 2pqe h ARG 126 N 0.71 0.79 0.04 1.13 3.08 -1.37 -0.34 114.38 118.42 2pqe h ARG 126 Ca 0.16 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2pqe h ARG 126 Cb 0.34 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2pqe h ARG 126 CO 0.00 0.89 -0.02 0.87 -1.07 0.00 0.00 179.97 180.64 2pqe h LYS 127 N 0.71 -0.05 -0.80 0.04 6.56 -1.24 -0.71 116.57 121.08 2pqe h LYS 127 Ca 0.11 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2pqe h LYS 127 Cb 0.63 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.26 2pqe h LYS 127 CO 0.04 0.48 0.49 0.77 -2.06 0.00 0.00 179.45 179.17 2pqe h SER 128 N -0.61 0.96 -0.25 0.86 0.02 -0.77 -1.40 113.55 112.34 2pqe h SER 128 Ca -0.01 -0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 2pqe h SER 128 Cb 0.55 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2pqe h SER 128 CO 0.01 0.73 -0.34 -0.08 -1.14 0.00 0.00 176.83 176.01 2pqe h GLU 129 N 1.09 0.78 -0.11 3.45 4.81 -1.10 -2.51 114.58 120.99 2pqe h GLU 129 Ca 0.29 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2pqe h GLU 129 Cb -0.05 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2pqe h GLU 129 CO -0.05 1.00 0.05 0.00 -0.73 0.00 0.00 179.01 179.28 2pqe h ALA 130 N 0.96 0.14 -0.67 2.92 0.00 -0.69 0.25 119.26 122.18 2pqe h ALA 130 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2pqe h ALA 130 Cb 0.88 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2pqe h ALA 130 CO 0.08 -0.29 0.39 -0.56 0.00 0.00 0.00 179.25 178.87 2pqe h GLN 131 N 0.05 0.91 -0.00 0.00 3.07 -1.26 -0.82 115.11 117.06 2pqe h GLN 131 Ca 0.04 -0.08 -0.16 0.00 0.09 0.00 0.00 58.65 58.53 2pqe h GLN 131 Cb 0.13 -0.19 -0.02 0.00 0.08 0.00 0.00 27.48 27.48 2pqe h GLN 131 CO -0.00 0.65 -0.76 0.00 0.09 0.00 0.00 178.83 178.80 2pqe h ALA 132 N 1.51 0.73 0.06 0.06 0.00 -1.15 -1.75 119.26 118.72 2pqe h ALA 132 Ca 0.24 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2pqe h ALA 132 Cb -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2pqe h ALA 132 CO -0.04 0.92 -0.03 -0.22 0.00 0.00 0.00 179.25 179.87 2pqe h LYS 133 N 0.03 -0.08 0.00 0.00 3.11 0.32 0.49 116.57 120.44 2pqe h LYS 133 Ca -0.01 0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.74 2pqe h LYS 133 Cb 1.34 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.58 2pqe h LYS 133 CO 0.10 0.38 -0.45 0.87 -2.81 0.00 0.00 179.45 177.55 2pqe h LYS 134 N -0.58 0.00 0.00 1.90 6.56 -1.26 -2.83 116.57 120.35 2pqe h LYS 134 Ca -0.01 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.55 2pqe h LYS 134 Cb 0.50 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.16 2pqe h LYS 134 CO 0.01 0.45 -0.70 0.93 -2.06 0.00 0.00 179.45 178.08 2pqe h GLU 135 N 0.00 0.00 -5.82 3.15 4.39 -1.31 -3.48 114.58 111.50 2pqe h GLU 135 Ca -0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.34 2pqe h GLU 135 Cb 0.85 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.63 2pqe h GLU 135 CO 0.06 0.09 -0.84 1.63 -1.16 0.00 0.00 179.01 178.79 2pqe n LYS 136 N -2.89 -4.17 0.00 2.33 4.76 0.17 -4.95 118.16 113.41 2pqe n LYS 136 Ca 0.00 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 2pqe n LYS 136 Cb 0.60 -5.40 0.00 0.00 -1.84 0.00 0.00 35.03 28.39 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 -3.94 0.00 0.01 -0.35 4.77 -1.01 -4.52 117.00 111.95 2pqe n LEU 137 Ca -0.21 0.80 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2pqe n LEU 137 Cb 0.65 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2pqe n LEU 137 CO 0.64 -0.30 0.00 0.59 -1.33 0.00 0.00 177.39 176.99 2pqe n ASN 138 N -1.55 -0.01 -0.21 -1.43 3.02 -1.26 -4.82 115.26 109.00 2pqe n ASN 138 Ca 0.00 0.02 0.08 0.00 -0.03 0.00 0.00 54.58 54.65 2pqe n ASN 138 Cb 0.00 0.04 0.35 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.98 -0.84 2.41 3.07 -1.27 -1.31 117.51 120.55 2pqe h ILE 139 Ca 0.00 -0.26 -0.55 0.00 1.55 0.00 0.00 64.86 65.60 2pqe h ILE 139 Cb 0.00 0.16 -0.25 0.00 -0.27 0.00 0.00 36.82 36.46 2pqe h ILE 139 CO 0.00 0.14 0.71 0.79 -1.05 0.00 0.00 178.15 178.74 2pqe n TRP 140 N -4.50 2.71 -1.94 0.16 5.03 -1.26 -4.26 117.44 113.38 2pqe n TRP 140 Ca 0.12 -2.52 0.03 0.00 3.03 0.00 0.00 57.50 58.16 2pqe n TRP 140 Cb 0.28 -1.22 0.13 0.00 -1.03 0.00 0.00 31.31 29.47 2pqe n TRP 140 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 2pqe n SER 141 N -0.61 1.67 -1.20 -0.99 7.64 -0.49 -4.10 113.62 115.54 2pqe n SER 141 Ca 0.53 -3.25 -0.02 0.00 1.01 0.00 0.00 58.87 57.14 2pqe n SER 141 Cb 0.79 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 2pqe n SER 141 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2pqe n GLU 142 N -0.57 0.00 -4.01 1.43 -0.00 -1.26 -5.02 120.64 111.21 2pqe n GLU 142 Ca 0.16 -1.42 -0.36 0.00 -0.00 0.00 0.00 57.16 55.54 2pqe n GLU 142 Cb 0.85 0.27 -0.07 0.00 -0.00 0.00 0.00 31.44 32.49 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 -1.42 6.07 -0.23 -1.84 2.15 -1.26 -5.01 116.67 115.13 2pqe s ASP 143 Ca 0.15 0.37 -0.01 0.00 0.43 0.00 0.00 52.55 53.48 2pqe s ASP 143 Cb 0.17 -1.91 -0.14 0.00 -0.30 0.00 0.00 42.92 40.74 2pqe s ASP 143 CO -0.07 0.39 -0.22 0.59 -0.17 0.00 0.00 175.17 175.68 2pqe n ASN 144 N 2.11 2.14 -4.26 -0.34 4.13 -1.26 -4.93 115.26 112.84 2pqe n ASN 144 Ca -0.19 -0.03 -0.34 0.00 1.68 0.00 0.00 54.58 55.69 2pqe n ASN 144 Cb 0.54 -0.43 -0.15 0.00 -1.54 0.00 0.00 39.78 38.21 2pqe n ASN 144 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pqe s ALA 145 N -2.45 2.65 -0.07 5.41 0.00 -1.26 -5.02 121.76 121.02 2pqe s ALA 145 Ca -0.31 -1.16 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 2pqe s ALA 145 Cb 0.09 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 2pqe s ALA 145 CO 0.50 -0.35 0.23 0.22 0.00 0.00 0.00 175.76 176.36 2pqe h ASP 146 N 7.94 -0.16 -3.18 0.00 1.82 -2.05 -3.47 116.42 117.32 2pqe h ASP 146 Ca -0.41 0.01 -0.24 0.00 -0.39 0.00 0.00 57.03 55.99 2pqe h ASP 146 Cb 1.16 0.04 -0.32 0.00 0.68 0.00 0.00 39.33 40.89 2pqe h ASP 146 CO 0.61 0.27 -0.56 -0.44 -1.61 0.00 0.00 179.24 177.51 2pqe s SER 147 N -5.11 0.18 0.00 2.28 0.01 -1.26 -5.09 113.70 104.71 2pqe s SER 147 Ca -0.03 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2pqe s SER 147 Cb 0.00 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2pqe s SER 147 CO 0.08 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2pqe n GLY 148 N 4.78 -0.40 0.00 3.44 0.00 -1.26 -5.28 105.19 106.46 2pqe n GLY 148 Ca -0.16 0.29 0.09 0.00 0.00 0.00 0.00 46.02 46.24 2pqe n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26