#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqe n THR 2 N 0.00 0.00 -2.63 0.00 -2.24 -1.26 -5.07 114.28 103.08 2pqe n THR 2 Ca 0.00 -1.69 0.01 0.00 -2.27 0.00 0.00 64.05 60.10 2pqe n THR 2 Cb 0.00 -0.31 0.04 0.00 -2.10 0.00 0.00 70.33 67.96 2pqe n THR 2 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2pqe n SER 3 N -2.10 1.47 -4.49 3.42 7.64 -1.26 -5.09 113.62 113.20 2pqe n SER 3 Ca 0.04 -2.14 -0.24 0.00 1.01 0.00 0.00 58.87 57.54 2pqe n SER 3 Cb 0.50 -0.40 -0.10 0.00 -1.01 0.00 0.00 64.21 63.19 2pqe n SER 3 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2pqe s THR 4 N -2.26 2.38 0.00 0.44 -4.23 -1.26 -5.08 115.64 105.63 2pqe s THR 4 Ca 0.31 -2.34 -0.03 0.00 -1.18 0.00 0.00 61.69 58.45 2pqe s THR 4 Cb 0.35 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.77 2pqe s THR 4 CO -0.09 -0.34 1.02 0.11 -0.54 0.00 0.00 174.62 174.78 2pqe h LYS 5 N 2.20 -0.10 -1.68 3.99 1.79 -2.03 -3.48 116.57 117.26 2pqe h LYS 5 Ca -0.41 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.16 2pqe h LYS 5 Cb 1.26 0.02 -0.22 0.00 -1.58 0.00 0.00 32.23 31.71 2pqe h LYS 5 CO 0.63 -0.07 0.55 0.21 -1.08 0.00 0.00 179.45 179.69 2pqe s LYS 6 N -3.19 0.62 -0.67 3.15 2.47 -1.26 -5.06 119.74 115.81 2pqe s LYS 6 Ca -0.02 0.06 0.01 0.00 -1.56 0.00 0.00 55.97 54.46 2pqe s LYS 6 Cb 0.00 0.29 0.39 0.00 -1.46 0.00 0.00 37.83 37.06 2pqe s LYS 6 CO 0.05 -0.21 1.72 1.28 0.16 0.00 0.00 175.35 178.34 2pqe n LEU 7 N 0.54 6.60 -4.97 5.43 4.77 -1.26 -5.01 117.00 123.10 2pqe n LEU 7 Ca -0.10 -4.85 -0.21 0.00 -0.03 0.00 0.00 56.01 50.82 2pqe n LEU 7 Cb 0.59 -0.83 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 2pqe n LEU 7 CO 0.15 1.87 0.31 -1.38 -1.33 0.00 0.00 177.39 177.01 2pqe s HIS 8 N -3.86 2.98 0.21 -1.77 -3.43 -1.26 -5.11 115.29 103.05 2pqe s HIS 8 Ca 0.53 0.02 0.10 0.00 -0.80 0.00 0.00 55.06 54.91 2pqe s HIS 8 Cb 0.44 -2.55 -0.04 0.00 -1.43 0.00 0.00 32.58 28.99 2pqe s HIS 8 CO -0.26 -0.64 -0.11 0.15 -2.00 0.00 0.00 174.74 171.89 2pqe s LYS 9 N -4.64 1.99 -0.30 -0.38 3.01 -1.26 -4.56 119.74 113.61 2pqe s LYS 9 Ca 0.54 -1.39 -0.17 0.00 -1.01 0.00 0.00 55.97 53.94 2pqe s LYS 9 Cb -0.10 -2.07 0.20 0.00 -1.01 0.00 0.00 37.83 34.85 2pqe s LYS 9 CO 0.37 0.40 1.24 -2.00 0.51 0.00 0.00 175.35 175.88 2pqe s GLU 10 N -3.06 0.07 0.00 1.68 2.12 0.45 -4.78 118.70 115.18 2pqe s GLU 10 Ca 0.26 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.73 2pqe s GLU 10 Cb -0.08 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.34 2pqe s GLU 10 CO 0.15 -0.02 0.00 0.00 -0.54 0.00 0.00 175.26 174.86 2pqe n ALA 11 N 3.43 0.27 0.00 6.30 0.00 -1.25 -2.33 120.51 126.93 2pqe n ALA 11 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2pqe n ALA 11 Cb 0.56 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 -3.32 0.00 0.00 -1.01 -3.95 120.51 109.24 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 -0.09 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 0.02 -0.29 0.00 2.01 -1.06 -4.15 115.64 112.17 2pqe s THR 13 Ca 0.00 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 61.72 2pqe s THR 13 Cb 0.00 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 2pqe s THR 13 CO 0.00 -0.08 0.28 -0.22 -0.69 0.00 0.00 174.62 173.91 2pqe s LEU 14 N -0.42 4.16 -0.01 4.42 1.98 -1.26 0.18 118.68 127.73 2pqe s LEU 14 Ca -0.05 -0.00 -0.21 0.00 -2.89 0.00 0.00 54.13 50.97 2pqe s LEU 14 Cb -0.03 -2.26 -0.12 0.00 0.66 0.00 0.00 46.19 44.44 2pqe s LEU 14 CO 0.03 -0.17 0.87 0.40 -1.89 0.00 0.00 176.35 175.60 2pqe h ILE 15 N 5.42 0.12 -1.15 6.68 5.03 -0.66 -3.47 117.51 129.48 2pqe h ILE 15 Ca -0.33 -0.52 0.21 0.00 -0.12 0.00 0.00 64.86 64.10 2pqe h ILE 15 Cb 1.17 0.18 -0.27 0.00 -3.03 0.00 0.00 36.82 34.87 2pqe h ILE 15 CO 0.61 0.02 0.88 -0.54 -0.68 0.00 0.00 178.15 178.45 2pqe s LYS 16 N -3.95 0.15 0.29 2.37 1.02 -1.03 -5.01 119.74 113.58 2pqe s LYS 16 Ca -0.11 0.05 -0.18 0.00 0.02 0.00 0.00 55.97 55.74 2pqe s LYS 16 Cb 0.01 0.07 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 2pqe s LYS 16 CO 0.35 -0.05 0.77 0.00 -0.92 0.00 0.00 175.35 175.51 2pqe s ALA 17 N -0.95 3.32 -0.18 5.17 0.00 -1.26 -0.14 121.76 127.72 2pqe s ALA 17 Ca 0.07 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 2pqe s ALA 17 Cb -0.01 -2.86 -0.07 0.00 0.00 0.00 0.00 23.12 20.17 2pqe s ALA 17 CO -0.07 0.30 -0.29 -0.89 0.00 0.00 0.00 175.76 174.80 2pqe n ILE 18 N 0.12 1.36 -2.91 0.00 2.08 0.42 -4.87 119.36 115.57 2pqe n ILE 18 Ca 0.01 -0.07 -0.13 0.00 0.56 0.00 0.00 62.75 63.13 2pqe n ILE 18 Cb 0.52 -2.02 0.01 0.00 -0.75 0.00 0.00 39.64 37.41 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 -4.17 0.67 0.00 4.38 8.00 -0.51 -4.97 116.55 119.95 2pqe n ASP 19 Ca -0.28 -2.90 0.00 0.00 0.71 0.00 0.00 54.79 52.31 2pqe n ASP 19 Cb 0.63 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 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 0.09 0.64 0.09 0.44 0.00 -1.26 -3.53 105.19 101.67 2pqe n GLY 20 Ca 0.15 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 2pqe n GLY 20 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2pqe h ASP 21 N 0.00 0.25 -3.28 1.61 2.03 -1.88 -3.43 116.42 111.72 2pqe h ASP 21 Ca 0.00 -0.33 -0.68 0.00 -0.73 0.00 0.00 57.03 55.29 2pqe h ASP 21 Cb 0.00 -0.08 -0.18 0.00 -0.83 0.00 0.00 39.33 38.24 2pqe h ASP 21 CO 0.00 1.27 0.05 -0.89 -1.03 0.00 0.00 179.24 178.64 2pqe s THR 22 N -2.64 4.88 0.01 1.15 2.01 -1.23 -1.95 115.64 117.86 2pqe s THR 22 Ca -0.05 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.53 2pqe s THR 22 Cb 0.08 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 2pqe s THR 22 CO 0.85 -0.78 -0.09 0.68 -0.69 0.00 0.00 174.62 174.58 2pqe s VAL 23 N 2.63 0.72 -0.53 3.82 -7.23 -0.25 0.16 120.40 119.71 2pqe s VAL 23 Ca 0.16 -0.57 -0.25 0.00 -1.81 0.00 0.00 61.98 59.51 2pqe s VAL 23 Cb -0.19 -0.64 0.04 0.00 0.56 0.00 0.00 36.38 36.15 2pqe s VAL 23 CO 0.12 0.07 0.96 -0.75 -0.31 0.00 0.00 175.10 175.20 2pqe s LYS 24 N -0.56 3.39 -0.15 4.82 2.20 0.81 0.12 119.74 130.37 2pqe s LYS 24 Ca 0.01 -0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 55.49 2pqe s LYS 24 Cb -0.05 -4.02 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 2pqe s LYS 24 CO 0.00 -1.44 -0.09 -1.17 -0.36 0.00 0.00 175.35 172.28 2pqe s LEU 25 N 4.00 2.87 -0.81 5.43 0.20 0.83 0.13 118.68 131.32 2pqe s LEU 25 Ca 0.33 -0.29 -0.25 0.00 0.69 0.00 0.00 54.13 54.61 2pqe s LEU 25 Cb -0.11 -1.67 0.01 0.00 -0.43 0.00 0.00 46.19 43.98 2pqe s LEU 25 CO 0.21 0.14 1.56 -0.32 -0.29 0.00 0.00 176.35 177.65 2pqe s MET 26 N 0.54 3.07 -0.05 1.98 1.75 0.48 -1.72 119.30 125.34 2pqe s MET 26 Ca -0.06 -0.30 -0.04 0.00 -1.25 0.00 0.00 55.69 54.04 2pqe s MET 26 Cb -0.15 -4.69 -0.04 0.00 2.84 0.00 0.00 34.83 32.79 2pqe s MET 26 CO 0.03 -2.50 0.16 -0.47 -0.65 0.00 0.00 175.02 171.59 2pqe s TYR 27 N 7.00 3.55 -0.43 4.11 6.14 0.22 -2.57 117.35 135.37 2pqe s TYR 27 Ca 0.51 0.41 0.00 0.00 0.64 0.00 0.00 57.07 58.63 2pqe s TYR 27 Cb -0.07 -1.86 0.00 0.00 0.42 0.00 0.00 41.96 40.45 2pqe s TYR 27 CO 0.07 0.67 0.00 0.36 0.64 0.00 0.00 175.55 177.29 2pqe n LYS 28 N 1.32 -2.37 -0.65 4.97 -0.00 -1.25 0.12 118.16 120.29 2pqe n LYS 28 Ca -0.14 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2pqe n LYS 28 Cb 0.53 -4.69 0.00 0.00 -0.00 0.00 0.00 35.03 30.88 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 -0.51 0.60 2.84 2.58 0.00 -1.26 -5.06 105.19 104.37 2pqe n GLY 29 Ca -0.05 -0.65 -0.15 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 -1.21 0.10 -0.47 1.61 -2.07 0.32 -5.10 119.66 112.84 2pqe s GLN 30 Ca 0.00 0.06 -0.29 0.00 -1.82 0.00 0.00 55.36 53.31 2pqe s GLN 30 Cb 0.00 -0.24 0.03 0.00 -1.09 0.00 0.00 33.01 31.71 2pqe s GLN 30 CO 0.00 -0.07 1.20 0.00 -1.32 0.00 0.00 175.29 175.10 2pqe s ALA 31 N 0.56 3.13 0.12 2.60 0.00 -1.26 0.68 121.76 127.59 2pqe s ALA 31 Ca -0.05 -0.41 0.07 0.00 0.00 0.00 0.00 51.96 51.57 2pqe s ALA 31 Cb -0.08 -3.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.10 2pqe s ALA 31 CO -0.01 -2.30 -0.17 0.00 0.00 0.00 0.00 175.76 173.28 2pqe s MET 32 N 4.57 1.08 -0.43 0.00 0.23 -0.70 -4.92 119.30 119.13 2pqe s MET 32 Ca 0.51 -1.22 -0.29 0.00 -1.03 0.00 0.00 55.69 53.65 2pqe s MET 32 Cb -0.08 -1.10 0.03 0.00 -1.53 0.00 0.00 34.83 32.14 2pqe s MET 32 CO 0.32 0.23 1.12 0.99 -2.03 0.00 0.00 175.02 175.66 2pqe s THR 33 N -1.79 4.29 -0.12 3.16 2.01 -1.26 -0.12 115.64 121.82 2pqe s THR 33 Ca 0.09 1.38 -0.13 0.00 0.31 0.00 0.00 61.69 63.33 2pqe s THR 33 Cb -0.07 -4.55 -0.05 0.00 0.01 0.00 0.00 72.50 67.85 2pqe s THR 33 CO 0.04 -0.85 0.30 -0.36 -0.69 0.00 0.00 174.62 173.06 2pqe s PHE 34 N 4.23 3.54 -0.18 4.92 0.40 0.32 -1.69 117.98 129.52 2pqe s PHE 34 Ca 0.47 0.68 -0.01 0.00 -0.60 0.00 0.00 56.93 57.47 2pqe s PHE 34 Cb -0.09 -2.28 -0.00 0.00 0.51 0.00 0.00 43.02 41.16 2pqe s PHE 34 CO 0.27 0.40 -0.11 1.03 0.70 0.00 0.00 175.22 177.51 2pqe s ARG 35 N -0.09 3.27 -0.30 0.44 1.81 -1.18 -1.09 118.95 121.80 2pqe s ARG 35 Ca 0.18 -0.70 -0.30 0.00 -1.72 0.00 0.00 55.73 53.19 2pqe s ARG 35 Cb -0.14 -2.77 -0.07 0.00 -0.45 0.00 0.00 34.95 31.52 2pqe s ARG 35 CO 0.06 -0.08 2.24 1.28 -0.68 0.00 0.00 175.30 178.12 2pqe n LEU 36 N 4.38 2.77 -4.77 2.53 4.77 -0.82 0.98 117.00 126.84 2pqe n LEU 36 Ca -0.19 0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.59 2pqe n LEU 36 Cb 0.51 -1.46 0.02 0.00 -2.33 0.00 0.00 43.42 40.16 2pqe n LEU 36 CO 0.29 -0.79 1.08 -0.76 -1.33 0.00 0.00 177.39 175.87 2pqe s LEU 37 N 8.42 4.11 -0.74 2.23 1.43 -1.01 -2.37 118.68 130.75 2pqe s LEU 37 Ca 1.04 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 57.09 2pqe s LEU 37 Cb -0.50 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 41.79 2pqe s LEU 37 CO 0.39 -1.20 0.00 0.18 0.23 0.00 0.00 176.35 175.95 2pqe n LEU 38 N -0.21 -0.72 -3.96 1.79 4.77 -1.26 -4.85 117.00 112.56 2pqe n LEU 38 Ca 0.05 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 56.17 2pqe n LEU 38 Cb 0.42 -1.68 -0.13 0.00 -2.33 0.00 0.00 43.42 39.70 2pqe n LEU 38 CO 0.59 -0.17 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.41 2pqe s VAL 39 N -2.24 0.30 -0.26 4.08 1.01 -1.00 -2.16 120.40 120.14 2pqe s VAL 39 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2pqe s VAL 39 Cb 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 36.38 36.13 2pqe s VAL 39 CO 0.00 -0.10 -0.07 -0.62 0.00 0.00 0.00 175.10 174.31 2pqe s ASP 40 N -0.58 4.24 -0.70 3.32 2.15 -0.79 -4.54 116.67 119.78 2pqe s ASP 40 Ca -0.03 -1.39 -0.04 0.00 0.43 0.00 0.00 52.55 51.52 2pqe s ASP 40 Cb -0.04 -1.40 0.18 0.00 -0.30 0.00 0.00 42.92 41.36 2pqe s ASP 40 CO -0.00 -0.23 0.54 -0.89 -0.17 0.00 0.00 175.17 174.42 2pqe s THR 41 N 1.21 4.01 0.15 1.71 2.01 -1.26 0.79 115.64 124.26 2pqe s THR 41 Ca -0.05 -3.12 0.00 0.00 0.31 0.00 0.00 61.69 58.83 2pqe s THR 41 Cb -0.19 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.74 2pqe s THR 41 CO -0.06 -0.94 0.00 0.00 -0.69 0.00 0.00 174.62 172.93 2pqe n ALA 42 N 3.27 -1.69 -2.05 7.40 0.00 -1.26 -3.33 120.51 122.85 2pqe n ALA 42 Ca 0.11 0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 2pqe n ALA 42 Cb 0.38 -0.77 -0.02 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 -0.93 0.24 -0.92 0.00 2.13 -1.26 -4.86 120.64 115.05 2pqe n GLU 43 Ca 0.00 -0.79 0.02 0.00 0.66 0.00 0.00 57.16 57.06 2pqe n GLU 43 Cb 0.00 0.46 0.36 0.00 0.27 0.00 0.00 31.44 32.53 2pqe n GLU 43 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2pqe n THR 44 N -0.28 2.81 -2.69 6.31 -2.24 -1.26 -4.92 114.28 112.00 2pqe n THR 44 Ca -0.19 -1.54 -0.08 0.00 -2.27 0.00 0.00 64.05 59.96 2pqe n THR 44 Cb 0.63 -0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.25 -2.36 -1.59 -0.78 0.00 -1.26 0.94 118.16 113.35 2pqe n LYS 45 Ca 0.32 0.03 -0.13 0.00 -0.00 0.00 0.00 58.31 58.53 2pqe n LYS 45 Cb 1.25 -4.06 -0.05 0.00 -0.00 0.00 0.00 35.03 32.17 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 -2.54 -0.59 -2.70 5.58 8.25 -1.26 -4.74 115.22 117.22 2pqe n HIS 46 Ca 0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.42 2pqe n HIS 46 Cb 0.44 -2.60 0.09 0.00 1.12 0.00 0.00 29.99 29.04 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 -2.18 0.00 -0.08 1.59 -1.04 0.27 -5.01 114.28 107.82 2pqe n THR 47 Ca -0.13 -1.13 -0.15 0.00 -2.04 0.00 0.00 64.05 60.60 2pqe n THR 47 Cb 0.46 1.31 -0.07 0.00 -1.82 0.00 0.00 70.33 70.22 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 0.70 0.39 0.00 -2.82 4.81 -0.94 -5.02 118.16 115.28 2pqe n LYS 48 Ca 0.02 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2pqe n LYS 48 Cb 0.71 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.53 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 -3.34 0.00 0.00 1.64 2.85 -1.26 -5.04 118.16 113.01 2pqe n LYS 49 Ca -0.31 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.95 2pqe n LYS 49 Cb 0.78 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.16 2pqe n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pqe n GLY 50 N -0.89 0.00 4.04 2.58 0.00 -1.26 -4.97 105.19 104.69 2pqe n GLY 50 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.82 0.09 1.61 3.14 -1.26 -4.86 118.33 114.22 2pqe n VAL 51 Ca 0.00 -0.58 -0.09 0.00 -2.96 0.00 0.00 64.34 60.71 2pqe n VAL 51 Cb 0.00 -2.37 -0.03 0.00 -1.06 0.00 0.00 33.84 30.39 2pqe n VAL 51 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2pqe h GLU 52 N -1.96 0.16 -0.99 1.45 -0.00 -2.00 -3.20 114.58 108.04 2pqe h GLU 52 Ca -0.66 -0.19 -0.41 0.00 -0.00 0.00 0.00 59.36 58.10 2pqe h GLU 52 Cb 1.39 0.06 -0.24 0.00 -0.00 0.00 0.00 28.75 29.95 2pqe h GLU 52 CO 0.61 0.96 0.52 0.36 -0.00 0.00 0.00 179.01 181.47 2pqe n LYS 53 N -3.61 2.12 -2.74 1.06 -0.00 -1.26 -4.86 118.16 108.87 2pqe n LYS 53 Ca -0.03 -2.48 -0.19 0.00 -0.00 0.00 0.00 58.31 55.60 2pqe n LYS 53 Cb 0.84 -1.98 0.00 0.00 -0.00 0.00 0.00 35.03 33.89 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 -0.80 -1.52 0.33 5.58 4.01 -1.21 -4.77 117.16 118.78 2pqe n TYR 54 Ca 0.48 0.22 -0.18 0.00 -0.16 0.00 0.00 57.90 58.26 2pqe n TYR 54 Cb 1.45 -3.55 -0.09 0.00 -0.31 0.00 0.00 39.34 36.85 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 -0.53 -1.09 1.33 2.72 0.00 -1.89 0.45 103.07 104.06 2pqe h GLY 55 Ca -0.43 0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 2pqe h GLY 55 CO 0.50 -0.37 -0.02 0.00 0.00 0.00 0.00 176.54 176.65 2pqe h ALA 56 N -0.71 1.06 0.00 3.60 0.00 -1.90 -2.50 119.26 118.81 2pqe h ALA 56 Ca -0.07 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 2pqe h ALA 56 Cb 0.81 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2pqe h ALA 56 CO 0.03 0.58 -0.34 1.49 0.00 0.00 0.00 179.25 181.01 2pqe h GLU 57 N 0.75 0.00 -0.30 0.00 4.57 -1.89 -2.92 114.58 114.79 2pqe h GLU 57 Ca 0.14 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2pqe h GLU 57 Cb 0.48 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2pqe h GLU 57 CO 0.02 0.34 0.19 0.00 -1.18 0.00 0.00 179.01 178.38 2pqe h ALA 58 N 1.66 0.38 -0.35 2.92 0.00 0.38 -2.48 119.26 121.77 2pqe h ALA 58 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2pqe h ALA 58 Cb 0.63 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2pqe h ALA 58 CO 0.04 -0.13 -0.08 0.77 0.00 0.00 0.00 179.25 179.86 2pqe h SER 59 N 0.39 0.57 -0.38 0.00 0.02 -1.51 -2.53 113.55 110.11 2pqe h SER 59 Ca 0.11 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2pqe h SER 59 Cb -0.00 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 2pqe h SER 59 CO -0.02 0.70 0.18 0.00 -1.14 0.00 0.00 176.83 176.55 2pqe h ALA 60 N 1.36 0.46 -0.35 3.77 0.00 -1.27 0.87 119.26 124.10 2pqe h ALA 60 Ca 0.10 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2pqe h ALA 60 Cb 0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2pqe h ALA 60 CO 0.03 -0.19 -0.18 0.35 0.00 0.00 0.00 179.25 179.26 2pqe h PHE 61 N 0.37 0.71 -0.04 0.00 3.04 -1.31 -1.12 116.94 118.59 2pqe h PHE 61 Ca 0.16 -0.14 -0.19 0.00 3.98 0.00 0.00 57.97 61.78 2pqe h PHE 61 Cb 0.08 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 2pqe h PHE 61 CO -0.11 0.78 -0.79 1.15 -2.02 0.00 0.00 178.31 177.32 2pqe h THR 62 N 0.58 1.41 -0.15 4.41 2.02 -0.97 -2.45 112.91 117.76 2pqe h THR 62 Ca 0.09 -2.29 -0.09 0.00 0.77 0.00 0.00 66.41 64.90 2pqe h THR 62 Cb 0.63 2.24 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2pqe h THR 62 CO 0.04 0.68 -0.24 0.50 0.37 0.00 0.00 175.52 176.87 2pqe h LYS 63 N 0.22 0.43 -0.51 6.66 1.63 0.97 -1.58 116.57 124.40 2pqe h LYS 63 Ca -0.04 -0.26 -0.10 0.00 -0.85 0.00 0.00 60.65 59.40 2pqe h LYS 63 Cb 1.39 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.02 2pqe h LYS 63 CO 0.13 0.85 -0.07 1.57 -3.45 0.00 0.00 179.45 178.48 2pqe h LYS 64 N 0.05 0.95 -0.13 1.90 5.09 -1.28 0.99 116.57 124.14 2pqe h LYS 64 Ca 0.01 -0.34 -0.12 0.00 0.09 0.00 0.00 60.65 60.30 2pqe h LYS 64 Cb 0.82 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.07 2pqe h LYS 64 CO 0.06 1.00 -0.43 1.98 -2.09 0.00 0.00 179.45 179.96 2pqe h MET 65 N 0.81 0.31 0.05 0.07 4.05 -1.48 -1.76 114.93 116.97 2pqe h MET 65 Ca 0.13 -0.16 -0.25 0.00 -0.28 0.00 0.00 59.70 59.15 2pqe h MET 65 Cb 0.62 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.40 2pqe h MET 65 CO 0.04 0.69 -1.34 -0.39 0.23 0.00 0.00 176.91 176.14 2pqe h VAL 66 N 0.25 0.96 0.00 -5.77 -1.51 -1.13 -1.86 116.25 107.19 2pqe h VAL 66 Ca 0.02 -2.28 -0.01 0.00 -1.23 0.00 0.00 66.70 63.20 2pqe h VAL 66 Cb 0.87 2.49 -0.00 0.00 -2.13 0.00 0.00 31.29 32.52 2pqe h VAL 66 CO 0.07 0.54 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.57 2pqe h GLU 67 N -0.63 0.00 0.02 5.19 4.39 0.94 -2.51 114.58 121.98 2pqe h GLU 67 Ca -0.32 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.03 2pqe h GLU 67 Cb 1.53 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.13 2pqe h GLU 67 CO -0.07 0.05 -2.12 -1.71 -1.16 0.00 0.00 179.01 174.00 2pqe n ASN 68 N -3.62 1.05 -4.57 1.42 2.85 -0.66 -4.73 115.26 107.01 2pqe n ASN 68 Ca -0.02 0.14 -0.30 0.00 -0.11 0.00 0.00 54.58 54.29 2pqe n ASN 68 Cb 0.16 0.05 -0.05 0.00 1.24 0.00 0.00 39.78 41.18 2pqe n ASN 68 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pqe s ALA 69 N -2.54 1.95 0.60 5.20 0.00 -0.70 -4.76 121.76 121.50 2pqe s ALA 69 Ca -0.15 -1.93 0.29 0.00 0.00 0.00 0.00 51.96 50.16 2pqe s ALA 69 Cb 0.07 -4.61 1.50 0.00 0.00 0.00 0.00 23.12 20.09 2pqe s ALA 69 CO 0.77 -4.74 1.91 0.87 0.00 0.00 0.00 175.76 174.58 2pqe h LYS 70 N 10.27 0.00 -4.55 0.00 1.57 -1.85 -3.36 116.57 118.65 2pqe h LYS 70 Ca 0.18 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.37 2pqe h LYS 70 Cb 0.97 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.92 2pqe h LYS 70 CO 1.26 0.00 -0.82 0.21 -0.57 0.00 0.00 179.45 179.52 2pqe s LYS 71 N -4.55 2.08 0.02 3.15 2.20 -1.26 -4.82 119.74 116.57 2pqe s LYS 71 Ca -0.04 -0.56 0.08 0.00 -0.36 0.00 0.00 55.97 55.09 2pqe s LYS 71 Cb 0.15 -2.07 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2pqe s LYS 71 CO 0.51 -0.29 -0.23 0.42 -0.36 0.00 0.00 175.35 175.41 2pqe s ILE 72 N 1.52 1.82 0.04 5.43 1.09 -1.26 0.11 121.20 129.95 2pqe s ILE 72 Ca 0.04 -1.16 0.06 0.00 -1.10 0.00 0.00 60.65 58.49 2pqe s ILE 72 Cb -0.13 -1.55 -0.02 0.00 -1.06 0.00 0.00 42.46 39.69 2pqe s ILE 72 CO -0.10 0.35 -0.17 -1.61 -0.10 0.00 0.00 174.94 173.31 2pqe s GLU 73 N -0.96 1.17 0.11 2.79 2.02 0.23 -2.39 118.70 121.67 2pqe s GLU 73 Ca 0.09 -0.82 0.10 0.00 0.02 0.00 0.00 54.97 54.36 2pqe s GLU 73 Cb -0.09 -1.23 -0.04 0.00 0.10 0.00 0.00 34.13 32.87 2pqe s GLU 73 CO 0.01 0.31 -0.25 0.14 0.02 0.00 0.00 175.26 175.49 2pqe s VAL 74 N -0.78 2.10 -0.16 2.63 -7.23 -0.98 0.91 120.40 116.89 2pqe s VAL 74 Ca 0.05 -1.65 -0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2pqe s VAL 74 Cb -0.08 -1.86 0.04 0.00 0.56 0.00 0.00 36.38 35.04 2pqe s VAL 74 CO 0.01 0.09 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.14 2pqe s GLU 75 N -1.89 1.51 0.13 4.82 -6.30 -0.54 -0.41 118.70 116.02 2pqe s GLU 75 Ca 0.12 -0.52 -0.24 0.00 -2.50 0.00 0.00 54.97 51.84 2pqe s GLU 75 Cb -0.10 -2.00 -0.07 0.00 0.00 0.00 0.00 34.13 31.96 2pqe s GLU 75 CO 0.05 -0.41 0.71 -0.06 0.02 0.00 0.00 175.26 175.57 2pqe s PHE 76 N 1.62 3.87 0.00 5.30 0.40 -1.26 -2.28 117.98 125.62 2pqe s PHE 76 Ca 0.01 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 2pqe s PHE 76 Cb -0.15 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 40.69 2pqe s PHE 76 CO -0.08 0.52 0.00 -0.40 0.70 0.00 0.00 175.22 175.96 2pqe n ASP 77 N 1.71 -0.07 -0.10 1.36 5.75 -1.26 -5.02 116.55 118.92 2pqe n ASP 77 Ca -0.07 -0.26 0.05 0.00 -0.01 0.00 0.00 54.79 54.50 2pqe n ASP 77 Cb 0.49 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.66 2pqe n ASP 77 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2pqe n LYS 78 N -0.34 1.54 -0.03 0.11 4.76 -1.26 -4.82 118.16 118.12 2pqe n LYS 78 Ca 0.00 -1.94 -0.06 0.00 -2.87 0.00 0.00 58.31 53.44 2pqe n LYS 78 Cb 0.00 -1.17 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 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 -0.90 -0.30 2.93 0.72 0.00 -1.26 -4.94 105.19 101.44 2pqe n GLY 79 Ca 0.08 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.47 0.27 -0.09 1.61 2.00 0.29 -4.55 119.66 116.72 2pqe s GLN 80 Ca -0.17 -0.13 0.17 0.00 -2.00 0.00 0.00 55.36 53.24 2pqe s GLN 80 Cb 0.03 -0.25 -0.26 0.00 0.80 0.00 0.00 33.01 33.33 2pqe s GLN 80 CO 0.24 0.07 0.25 -2.13 -0.50 0.00 0.00 175.29 173.22 2pqe n ARG 81 N 2.97 0.84 -3.45 1.67 0.63 -1.26 -4.67 116.66 113.39 2pqe n ARG 81 Ca -0.13 -0.10 -0.19 0.00 -0.92 0.00 0.00 57.85 56.51 2pqe n ARG 81 Cb 0.59 -1.44 -0.11 0.00 0.45 0.00 0.00 32.46 31.94 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 -2.91 -0.33 0.16 5.15 -4.23 -1.24 -2.81 115.64 109.43 2pqe s THR 82 Ca -0.08 -0.41 -0.29 0.00 -1.18 0.00 0.00 61.69 59.74 2pqe s THR 82 Cb 0.09 -0.89 -0.02 0.00 1.34 0.00 0.00 72.50 73.02 2pqe s THR 82 CO 0.74 -0.42 1.55 -0.78 -0.54 0.00 0.00 174.62 175.17 2pqe h ASP 83 N 8.30 -1.86 0.00 3.99 3.58 -1.89 -3.44 116.42 125.09 2pqe h ASP 83 Ca -0.16 0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2pqe h ASP 83 Cb 1.09 0.83 0.00 0.00 1.72 0.00 0.00 39.33 42.97 2pqe h ASP 83 CO 0.34 -0.30 0.00 0.29 -2.88 0.00 0.00 179.24 176.68 2pqe n LYS 84 N -5.34 0.00 0.33 0.28 4.01 -1.26 -4.93 118.16 111.24 2pqe n LYS 84 Ca 0.02 0.00 0.21 0.00 -0.51 0.00 0.00 58.31 58.02 2pqe n LYS 84 Cb 0.32 0.00 1.11 0.00 -0.51 0.00 0.00 35.03 35.94 2pqe n LYS 84 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 2pqe h TYR 85 N 0.00 0.00 0.00 2.13 0.05 -2.03 -3.44 116.97 113.68 2pqe h TYR 85 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2pqe h TYR 85 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2pqe h TYR 85 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 2pqe n GLY 86 N -1.14 1.27 3.63 3.88 0.00 -1.26 -5.11 105.19 106.46 2pqe n GLY 86 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.73 -0.02 -3.38 1.61 3.00 -1.26 -4.99 116.66 109.89 2pqe n ARG 87 Ca 0.00 -2.56 -0.34 0.00 -0.01 0.00 0.00 57.85 54.94 2pqe n ARG 87 Cb 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 32.46 31.81 2pqe n ARG 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2pqe n GLY 88 N -2.13 4.72 3.70 -0.13 0.00 -0.68 -3.69 105.19 106.98 2pqe n GLY 88 Ca 0.15 -2.70 -0.44 0.00 0.00 0.00 0.00 46.02 43.04 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 1.36 3.62 0.00 0.99 -0.00 -1.12 -3.11 117.00 118.74 2pqe n LEU 89 Ca 0.26 1.11 0.00 0.00 -0.00 0.00 0.00 56.01 57.39 2pqe n LEU 89 Cb 0.38 -1.50 0.00 0.00 -0.00 0.00 0.00 43.42 42.29 2pqe n LEU 89 CO 0.48 -0.13 0.00 0.00 -0.00 0.00 0.00 177.39 177.75 2pqe n ALA 90 N 2.80 0.00 -2.42 1.47 0.00 0.27 -4.68 120.51 117.96 2pqe n ALA 90 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 2pqe n ALA 90 Cb 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 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 3.73 -0.07 0.00 2.02 -0.97 -2.41 117.35 117.66 2pqe s TYR 91 Ca 0.00 1.73 -0.05 0.00 -0.37 0.00 0.00 57.07 58.38 2pqe s TYR 91 Cb 0.00 -3.11 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 2pqe s TYR 91 CO 0.00 0.01 0.17 0.42 -1.57 0.00 0.00 175.55 174.57 2pqe s ILE 92 N 0.39 5.47 -0.07 2.71 -1.09 -1.26 -1.47 121.20 125.87 2pqe s ILE 92 Ca 0.49 0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.98 2pqe s ILE 92 Cb -0.23 -3.47 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 2pqe s ILE 92 CO 0.29 0.49 -0.06 -0.31 -1.23 0.00 0.00 174.94 174.12 2pqe s TYR 93 N -1.16 1.08 -0.21 3.97 1.51 0.26 -2.20 117.35 120.60 2pqe s TYR 93 Ca 0.21 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.79 2pqe s TYR 93 Cb -0.12 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.77 2pqe s TYR 93 CO 0.11 -0.32 0.05 0.00 -1.11 0.00 0.00 175.55 174.28 2pqe s ALA 94 N 1.25 3.21 -1.76 3.71 0.00 0.20 0.75 121.76 129.12 2pqe s ALA 94 Ca -0.05 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 2pqe s ALA 94 Cb -0.14 -1.94 0.16 0.00 0.00 0.00 0.00 23.12 21.19 2pqe s ALA 94 CO -0.02 -0.16 0.44 -0.25 0.00 0.00 0.00 175.76 175.76 2pqe n ASP 95 N 4.25 -1.10 -0.16 0.00 9.92 0.30 0.17 116.55 129.93 2pqe n ASP 95 Ca -0.16 -1.23 -0.02 0.00 -0.53 0.00 0.00 54.79 52.84 2pqe n ASP 95 Cb 0.52 -1.74 -0.01 0.00 -0.64 0.00 0.00 41.12 39.26 2pqe n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pqe n GLY 96 N -1.56 0.52 3.28 0.44 0.00 -1.26 -5.04 105.19 101.57 2pqe n GLY 96 Ca -0.03 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.32 1.87 -0.29 1.61 2.47 0.44 -5.10 119.74 118.41 2pqe s LYS 97 Ca 0.00 -0.89 -0.29 0.00 -1.56 0.00 0.00 55.97 53.23 2pqe s LYS 97 Cb 0.00 -1.85 0.01 0.00 -1.46 0.00 0.00 37.83 34.53 2pqe s LYS 97 CO 0.00 0.50 1.06 -1.64 0.16 0.00 0.00 175.35 175.43 2pqe s MET 98 N -0.70 4.12 -0.05 4.03 -1.94 -1.26 0.62 119.30 124.13 2pqe s MET 98 Ca 0.09 1.15 -0.26 0.00 -1.71 0.00 0.00 55.69 54.96 2pqe s MET 98 Cb -0.09 -3.71 -0.22 0.00 2.01 0.00 0.00 34.83 32.82 2pqe s MET 98 CO -0.00 -0.81 1.12 0.28 -0.01 0.00 0.00 175.02 175.59 2pqe h VAL 99 N 5.64 1.50 -0.21 -6.03 2.07 -1.82 -2.15 116.25 115.26 2pqe h VAL 99 Ca -0.20 -1.58 0.04 0.00 0.82 0.00 0.00 66.70 65.78 2pqe h VAL 99 Cb 1.06 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 33.32 2pqe h VAL 99 CO 1.01 0.42 -0.04 -0.55 0.02 0.00 0.00 177.57 178.43 2pqe h ASN 100 N -0.55 -0.17 -0.30 0.57 7.08 -1.92 0.11 115.58 120.39 2pqe h ASN 100 Ca -0.00 0.06 -0.01 0.00 -3.08 0.00 0.00 56.30 53.27 2pqe h ASN 100 Cb 0.72 0.12 -0.01 0.00 -2.08 0.00 0.00 38.32 37.07 2pqe h ASN 100 CO 0.01 -0.06 0.15 -0.33 -2.08 0.00 0.00 177.43 175.13 2pqe h GLU 101 N 0.01 0.43 -0.77 4.14 4.39 -1.93 0.50 114.58 121.35 2pqe h GLU 101 Ca 0.10 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.79 2pqe h GLU 101 Cb 0.15 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 2pqe h GLU 101 CO -0.21 0.39 0.47 0.00 -1.16 0.00 0.00 179.01 178.51 2pqe h ALA 102 N 1.02 1.04 -0.07 3.43 0.00 -1.02 0.64 119.26 124.29 2pqe h ALA 102 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2pqe h ALA 102 Cb 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2pqe h ALA 102 CO -0.01 0.22 -0.07 -0.07 0.00 0.00 0.00 179.25 179.31 2pqe h LEU 103 N 0.88 0.18 -0.16 0.00 3.38 -0.74 -1.88 115.31 116.98 2pqe h LEU 103 Ca 0.33 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2pqe h LEU 103 Cb 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2pqe h LEU 103 CO -0.15 0.63 0.05 0.58 0.09 0.00 0.00 178.44 179.63 2pqe h VAL 104 N -0.26 1.19 0.00 1.22 2.07 -0.62 1.11 116.25 120.95 2pqe h VAL 104 Ca 0.01 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 2pqe h VAL 104 Cb 0.58 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2pqe h VAL 104 CO 0.02 0.18 -0.12 0.08 0.02 0.00 0.00 177.57 177.74 2pqe h ARG 105 N 0.07 0.00 0.00 1.57 -0.00 0.22 -2.33 114.38 113.91 2pqe h ARG 105 Ca 0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.81 2pqe h ARG 105 Cb 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.16 2pqe h ARG 105 CO -0.00 0.12 -1.50 0.37 -0.00 0.00 0.00 179.97 178.96 2pqe h GLN 106 N 0.00 0.00 0.00 0.08 4.15 -1.02 -3.46 115.11 114.86 2pqe h GLN 106 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2pqe h GLN 106 Cb 0.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 2pqe h GLN 106 CO 0.02 0.39 0.00 0.41 -1.93 0.00 0.00 178.83 177.71 2pqe n GLY 107 N 1.45 0.70 0.00 2.39 0.00 0.28 -4.22 105.19 105.79 2pqe n GLY 107 Ca -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.39 -4.55 0.99 7.99 0.31 -2.01 117.00 121.11 2pqe n LEU 108 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.69 2pqe n LEU 108 Cb 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.20 2pqe n LEU 108 CO 0.00 0.23 -0.42 0.00 -1.51 0.00 0.00 177.39 175.69 2pqe s ALA 109 N -1.57 2.87 0.14 -1.18 0.00 -1.20 -4.45 121.76 116.37 2pqe s ALA 109 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2pqe s ALA 109 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.14 2pqe s ALA 109 CO 0.00 0.60 0.00 1.63 0.00 0.00 0.00 175.76 177.99 2pqe n LYS 110 N 1.50 2.34 -4.05 0.00 5.02 0.24 -4.15 118.16 119.06 2pqe n LYS 110 Ca -0.15 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.82 2pqe n LYS 110 Cb 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.38 2pqe n LYS 110 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pqe s VAL 111 N 1.52 1.99 0.00 -0.18 1.01 -1.26 -1.88 120.40 121.59 2pqe s VAL 111 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2pqe s VAL 111 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2pqe s VAL 111 CO 0.00 0.11 0.00 0.00 0.00 0.00 0.00 175.10 175.21 2pqe n ALA 112 N 4.54 0.00 -2.49 5.51 0.00 -0.92 -4.84 120.51 122.31 2pqe n ALA 112 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.11 2pqe n ALA 112 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.33 2.38 -2.66 0.00 4.11 -1.26 -4.89 117.16 112.51 2pqe n TYR 113 Ca 0.00 -2.73 -0.42 0.00 -0.00 0.00 0.00 57.90 54.75 2pqe n TYR 113 Cb 0.00 -0.23 -0.03 0.00 -0.00 0.00 0.00 39.34 39.08 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 -4.46 4.15 -0.65 -3.48 1.01 -1.26 -4.83 120.40 110.88 2pqe s VAL 114 Ca 0.40 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2pqe s VAL 114 Cb 0.41 -4.99 0.44 0.00 0.00 0.00 0.00 36.38 32.24 2pqe s VAL 114 CO -0.06 -1.82 1.94 0.00 0.00 0.00 0.00 175.10 175.15 2pqe n TYR 115 N 8.21 3.16 0.00 5.22 4.11 -1.26 -4.24 117.16 132.36 2pqe n TYR 115 Ca 0.31 -2.86 0.00 0.00 -0.00 0.00 0.00 57.90 55.35 2pqe n TYR 115 Cb 0.50 -1.29 0.00 0.00 -0.00 0.00 0.00 39.34 38.55 2pqe n TYR 115 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 2pqe n LYS 116 N -0.84 0.00 -0.11 -3.48 -0.00 -1.26 -4.95 118.16 107.52 2pqe n LYS 116 Ca 0.59 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.96 2pqe n LYS 116 Cb 0.63 0.00 0.18 0.00 -0.00 0.00 0.00 35.03 35.85 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 0.00 0.08 0.00 2.58 0.00 -1.26 -4.20 105.19 102.38 2pqe n GLY 117 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2pqe n GLY 117 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pqe n ASN 118 N 0.16 0.00 -2.52 1.61 5.15 -1.26 0.11 115.26 118.50 2pqe n ASN 118 Ca 0.10 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.05 2pqe n ASN 118 Cb 0.22 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.57 2pqe n ASN 118 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2pqe n ASN 119 N 0.00 -1.33 -0.09 1.20 6.94 -1.26 -4.56 115.26 116.16 2pqe n ASN 119 Ca 0.00 -2.08 -0.12 0.00 -0.02 0.00 0.00 54.58 52.36 2pqe n ASN 119 Cb 0.00 0.66 -0.10 0.00 -2.36 0.00 0.00 39.78 37.98 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2pqe n THR 120 N -1.19 1.09 -1.00 5.53 -1.04 -1.26 -4.59 114.28 111.83 2pqe n THR 120 Ca -0.14 -0.47 0.09 0.00 -2.04 0.00 0.00 64.05 61.49 2pqe n THR 120 Cb 0.82 -1.05 0.22 0.00 -1.82 0.00 0.00 70.33 68.50 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 -2.95 0.66 0.27 -1.42 8.25 -1.26 -4.65 115.22 114.13 2pqe n HIS 121 Ca -0.32 -0.91 0.18 0.00 -0.26 0.00 0.00 57.72 56.42 2pqe n HIS 121 Cb 0.89 -0.26 0.97 0.00 1.12 0.00 0.00 29.99 32.71 2pqe n HIS 121 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2pqe h GLU 122 N 1.28 0.00 0.00 -0.41 5.08 -1.92 -0.81 114.58 117.80 2pqe h GLU 122 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pqe h GLU 122 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2pqe h GLU 122 CO 0.15 0.00 -0.01 -0.56 -1.00 0.00 0.00 179.01 177.60 2pqe h GLN 123 N 0.00 0.00 -0.15 2.33 3.07 -1.94 -2.55 115.11 115.87 2pqe h GLN 123 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 2pqe h GLN 123 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.57 2pqe h GLN 123 CO 0.00 0.89 -0.46 1.37 0.09 0.00 0.00 178.83 180.72 2pqe h LEU 124 N -1.00 0.40 0.12 0.06 8.10 -1.82 -2.11 115.31 119.06 2pqe h LEU 124 Ca -0.00 -0.19 -0.01 0.00 0.11 0.00 0.00 57.88 57.80 2pqe h LEU 124 Cb 0.89 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 41.00 2pqe h LEU 124 CO -0.00 0.81 -0.06 -0.07 -4.11 0.00 0.00 178.44 175.01 2pqe h LEU 125 N 0.30 -0.13 -1.95 0.17 3.38 -1.30 -1.78 115.31 114.00 2pqe h LEU 125 Ca 0.02 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2pqe h LEU 125 Cb 0.93 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2pqe h LEU 125 CO 0.08 0.30 -0.06 -0.09 0.09 0.00 0.00 178.44 178.76 2pqe h ARG 126 N -0.61 0.00 0.03 1.13 9.65 -1.48 -1.60 114.38 121.51 2pqe h ARG 126 Ca -0.02 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2pqe h ARG 126 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 2pqe h ARG 126 CO 0.03 0.06 -0.02 0.87 2.80 0.00 0.00 179.97 183.71 2pqe h LYS 127 N 0.00 -0.05 -0.73 0.20 6.56 -1.31 -2.26 116.57 118.98 2pqe h LYS 127 Ca -0.00 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.62 2pqe h LYS 127 Cb 0.12 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.75 2pqe h LYS 127 CO 0.01 0.56 0.47 1.03 -2.06 0.00 0.00 179.45 179.46 2pqe h SER 128 N -0.70 0.79 -0.27 0.86 0.87 -1.07 -2.34 113.55 111.69 2pqe h SER 128 Ca -0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2pqe h SER 128 Cb 0.62 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2pqe h SER 128 CO 0.01 0.55 0.13 -0.08 -0.53 0.00 0.00 176.83 176.91 2pqe h GLU 129 N 0.93 0.38 -0.45 2.24 4.81 -1.37 -1.77 114.58 119.36 2pqe h GLU 129 Ca 0.29 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.55 2pqe h GLU 129 Cb -0.02 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.22 2pqe h GLU 129 CO -0.10 0.38 0.00 0.00 -0.73 0.00 0.00 179.01 178.56 2pqe h ALA 130 N 0.99 0.42 -0.24 2.92 0.00 -1.01 0.95 119.26 123.28 2pqe h ALA 130 Ca 0.09 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2pqe h ALA 130 Cb 0.12 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2pqe h ALA 130 CO -0.01 -0.39 0.12 1.96 0.00 0.00 0.00 179.25 180.93 2pqe h GLN 131 N 0.11 0.35 -0.53 0.00 1.08 -1.28 1.15 115.11 116.00 2pqe h GLN 131 Ca 0.22 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.28 2pqe h GLN 131 Cb 0.33 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2pqe h GLN 131 CO -0.37 0.36 -0.04 0.00 -0.95 0.00 0.00 178.83 177.83 2pqe h ALA 132 N 0.97 0.93 0.01 3.87 0.00 -0.67 0.48 119.26 124.85 2pqe h ALA 132 Ca 0.08 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 2pqe h ALA 132 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2pqe h ALA 132 CO -0.01 0.63 -0.90 -0.22 0.00 0.00 0.00 179.25 178.75 2pqe h LYS 133 N 0.85 0.26 0.00 0.00 3.11 0.11 0.86 116.57 121.77 2pqe h LYS 133 Ca 0.15 -0.29 -0.18 0.00 -2.81 0.00 0.00 60.65 57.52 2pqe h LYS 133 Cb 0.55 0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.84 2pqe h LYS 133 CO 0.03 1.00 -0.86 -0.22 -2.81 0.00 0.00 179.45 176.59 2pqe h LYS 134 N 0.14 0.00 0.00 1.90 3.64 0.16 -3.29 116.57 119.12 2pqe h LYS 134 Ca -0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2pqe h LYS 134 Cb 1.54 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2pqe h LYS 134 CO 0.14 0.86 -1.88 0.39 -2.27 0.00 0.00 179.45 176.70 2pqe n GLU 135 N -3.43 0.65 -2.91 1.90 1.02 0.17 -5.04 120.64 113.01 2pqe n GLU 135 Ca -0.00 -0.15 -0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2pqe n GLU 135 Cb 0.85 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 2pqe n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2pqe n LYS 136 N -2.34 -1.21 0.00 3.49 4.76 0.30 -5.01 118.16 118.16 2pqe n LYS 136 Ca -0.04 1.39 0.00 0.00 -2.87 0.00 0.00 58.31 56.79 2pqe n LYS 136 Cb 0.59 -5.35 0.00 0.00 -1.84 0.00 0.00 35.03 28.43 2pqe n LYS 136 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2pqe n LEU 137 N -1.72 1.42 0.00 -0.35 4.77 -0.99 -4.67 117.00 115.45 2pqe n LEU 137 Ca -0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2pqe n LEU 137 Cb 0.50 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2pqe n LEU 137 CO 0.48 -0.17 0.00 0.59 -1.33 0.00 0.00 177.39 176.96 2pqe n ASN 138 N -1.00 0.00 -0.34 -1.43 3.02 -1.26 -4.76 115.26 109.49 2pqe n ASN 138 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.69 2pqe n ASN 138 Cb 0.00 0.00 0.33 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.62 -0.91 2.41 3.07 -1.73 0.52 117.51 121.49 2pqe h ILE 139 Ca 0.00 -0.22 -0.54 0.00 1.55 0.00 0.00 64.86 65.65 2pqe h ILE 139 Cb 0.00 -0.07 -0.22 0.00 -0.27 0.00 0.00 36.82 36.26 2pqe h ILE 139 CO 0.00 0.12 0.68 0.79 -1.05 0.00 0.00 178.15 178.68 2pqe n TRP 140 N -4.86 2.41 -1.95 0.16 5.03 -1.26 -4.25 117.44 112.72 2pqe n TRP 140 Ca 0.24 -2.45 0.04 0.00 3.03 0.00 0.00 57.50 58.35 2pqe n TRP 140 Cb 0.62 -1.24 0.13 0.00 -1.03 0.00 0.00 31.31 29.80 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 -0.22 1.64 -1.30 -0.99 7.64 0.17 -4.11 113.62 116.46 2pqe n SER 141 Ca 0.48 -3.23 -0.05 0.00 1.01 0.00 0.00 58.87 57.08 2pqe n SER 141 Cb 0.57 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 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 -0.56 0.27 -0.09 1.43 -0.00 -1.26 -4.99 120.64 115.44 2pqe n GLU 142 Ca 0.16 -0.93 -0.16 0.00 -0.00 0.00 0.00 57.16 56.23 2pqe n GLU 142 Cb 0.86 0.47 -0.09 0.00 -0.00 0.00 0.00 31.44 32.68 2pqe n GLU 142 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2pqe h ASP 143 N 0.20 0.00 -3.49 -1.84 1.82 -1.86 -3.45 116.42 107.80 2pqe h ASP 143 Ca -0.48 -0.40 -0.64 0.00 -0.39 0.00 0.00 57.03 55.13 2pqe h ASP 143 Cb 1.30 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 41.17 2pqe h ASP 143 CO -0.24 1.23 0.31 0.21 -1.61 0.00 0.00 179.24 179.14 2pqe s ASN 144 N -6.47 6.36 0.00 2.28 3.84 -1.26 -4.61 114.94 115.07 2pqe s ASN 144 Ca -0.23 -0.31 0.00 0.00 0.21 0.00 0.00 52.86 52.53 2pqe s ASN 144 Cb 0.04 -2.37 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 2pqe s ASN 144 CO 0.48 -0.94 0.00 0.00 -2.79 0.00 0.00 177.10 173.85 2pqe n ALA 145 N 6.70 0.31 -2.66 1.71 0.00 -1.26 -5.15 120.51 120.15 2pqe n ALA 145 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2pqe n ALA 145 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 2pqe n ALA 145 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2pqe s ASP 146 N -1.93 0.06 0.87 0.00 -4.77 -1.26 -5.16 116.67 104.48 2pqe s ASP 146 Ca 0.00 -0.67 -0.11 0.00 -3.30 0.00 0.00 52.55 48.47 2pqe s ASP 146 Cb 0.00 0.38 0.12 0.00 -1.09 0.00 0.00 42.92 42.33 2pqe s ASP 146 CO 0.00 -0.79 1.10 -0.94 0.70 0.00 0.00 175.17 175.24 2pqe s SER 147 N -2.88 3.56 0.00 2.11 1.04 -1.26 -5.07 113.70 111.20 2pqe s SER 147 Ca 0.08 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.27 2pqe s SER 147 Cb 0.04 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2pqe s SER 147 CO -0.08 -2.63 0.00 0.61 0.98 0.00 0.00 173.24 172.12 2pqe n GLY 148 N -0.73 4.55 3.97 7.32 0.00 -1.26 -5.23 105.19 113.80 2pqe n GLY 148 Ca 0.08 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2pqe n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26