#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 2.97 -0.17 0.00 -1.32 -1.26 -5.08 115.64 110.78 2pqe s THR 2 Ca 0.00 -1.70 -0.29 0.00 -1.21 0.00 0.00 61.69 58.48 2pqe s THR 2 Cb 0.00 -2.86 -0.01 0.00 -1.51 0.00 0.00 72.50 68.12 2pqe s THR 2 CO 0.00 -0.34 1.23 -0.94 -2.21 0.00 0.00 174.62 172.37 2pqe s SER 3 N 1.38 6.97 -0.45 8.08 1.04 -1.26 -4.93 113.70 124.53 2pqe s SER 3 Ca 0.01 1.65 0.08 0.00 0.48 0.00 0.00 55.95 58.17 2pqe s SER 3 Cb -0.21 -2.54 0.40 0.00 0.10 0.00 0.00 66.02 63.78 2pqe s SER 3 CO -0.03 -0.75 1.01 0.35 0.98 0.00 0.00 173.24 174.80 2pqe n THR 4 N 5.36 2.05 0.00 2.02 -2.24 -1.26 -4.66 114.28 115.55 2pqe n THR 4 Ca 0.14 -4.72 0.00 0.00 -2.27 0.00 0.00 64.05 57.20 2pqe n THR 4 Cb 0.45 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 2pqe n THR 4 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2pqe n LYS 5 N -0.27 0.00 0.20 -0.78 2.85 -1.26 -4.95 118.16 113.95 2pqe n LYS 5 Ca 0.30 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.64 2pqe n LYS 5 Cb 0.62 0.00 0.33 0.00 -0.65 0.00 0.00 35.03 35.33 2pqe n LYS 5 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2pqe h LYS 6 N 0.00 0.00 -4.41 -1.58 3.11 -1.99 -3.49 116.57 108.20 2pqe h LYS 6 Ca 0.00 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.85 2pqe h LYS 6 Cb 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.16 2pqe h LYS 6 CO 0.00 0.29 -1.11 -0.11 -2.81 0.00 0.00 179.45 175.71 2pqe n LEU 7 N -3.34 -5.39 -4.03 5.20 0.00 -1.26 -5.02 117.00 103.16 2pqe n LEU 7 Ca 0.01 1.98 -0.31 0.00 0.00 0.00 0.00 56.01 57.69 2pqe n LEU 7 Cb 0.52 -2.80 -0.16 0.00 0.00 0.00 0.00 43.42 40.98 2pqe n LEU 7 CO 0.35 -2.90 -0.47 -2.28 0.00 0.00 0.00 177.39 172.09 2pqe s HIS 8 N -0.51 2.59 0.23 1.96 2.46 -1.26 -5.12 115.29 115.64 2pqe s HIS 8 Ca -0.15 -1.70 0.05 0.00 0.47 0.00 0.00 55.06 53.72 2pqe s HIS 8 Cb 0.01 -1.72 -0.03 0.00 -0.13 0.00 0.00 32.58 30.70 2pqe s HIS 8 CO 0.41 -0.77 0.32 -1.59 -2.47 0.00 0.00 174.74 170.65 2pqe s LYS 9 N 1.34 3.37 -0.29 2.88 0.00 -1.26 -4.73 119.74 121.04 2pqe s LYS 9 Ca -0.01 -0.77 -0.16 0.00 0.00 0.00 0.00 55.97 55.02 2pqe s LYS 9 Cb -0.16 -2.86 0.16 0.00 0.00 0.00 0.00 37.83 34.97 2pqe s LYS 9 CO -0.08 0.44 1.03 -2.00 0.00 0.00 0.00 175.35 174.73 2pqe s GLU 10 N -3.84 0.31 0.00 1.78 2.12 0.05 -4.75 118.70 114.37 2pqe s GLU 10 Ca 0.34 0.56 0.00 0.00 0.36 0.00 0.00 54.97 56.23 2pqe s GLU 10 Cb -0.09 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.40 2pqe s GLU 10 CO 0.28 -0.07 0.00 0.00 -0.54 0.00 0.00 175.26 174.93 2pqe n ALA 11 N 3.74 0.69 0.00 6.30 0.00 -1.25 -2.43 120.51 127.55 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 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2pqe n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pqe n ALA 12 N -2.99 0.00 -3.24 0.00 0.00 -1.02 -4.29 120.51 108.97 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 -0.29 0.00 2.01 -1.01 -4.24 115.64 112.13 2pqe s THR 13 Ca 0.00 -0.21 -0.13 0.00 0.31 0.00 0.00 61.69 61.66 2pqe s THR 13 Cb 0.00 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2pqe s THR 13 CO 0.00 -0.12 0.28 -0.22 -0.69 0.00 0.00 174.62 173.87 2pqe s LEU 14 N -0.50 4.10 -0.04 4.42 1.98 -1.26 0.16 118.68 127.54 2pqe s LEU 14 Ca -0.06 0.05 -0.16 0.00 -2.89 0.00 0.00 54.13 51.07 2pqe s LEU 14 Cb -0.04 -2.25 -0.09 0.00 0.66 0.00 0.00 46.19 44.46 2pqe s LEU 14 CO 0.02 -0.14 0.65 0.40 -1.89 0.00 0.00 176.35 175.39 2pqe h ILE 15 N 5.40 0.19 -1.29 6.68 5.03 -0.98 -3.47 117.51 129.07 2pqe h ILE 15 Ca -0.33 -0.74 0.15 0.00 -0.12 0.00 0.00 64.86 63.82 2pqe h ILE 15 Cb 1.17 0.31 -0.28 0.00 -3.03 0.00 0.00 36.82 34.99 2pqe h ILE 15 CO 0.60 0.05 0.73 -0.75 -0.68 0.00 0.00 178.15 178.10 2pqe s LYS 16 N -3.25 0.27 0.48 2.37 2.36 -1.02 -5.01 119.74 115.93 2pqe s LYS 16 Ca -0.09 0.20 -0.17 0.00 -2.55 0.00 0.00 55.97 53.36 2pqe s LYS 16 Cb 0.01 0.13 -0.09 0.00 -1.05 0.00 0.00 37.83 36.83 2pqe s LYS 16 CO 0.28 -0.06 0.95 0.00 1.55 0.00 0.00 175.35 178.07 2pqe s ALA 17 N -0.36 3.09 -0.14 3.13 0.00 -1.26 -0.06 121.76 126.16 2pqe s ALA 17 Ca 0.05 0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 2pqe s ALA 17 Cb -0.03 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 2pqe s ALA 17 CO -0.08 -0.09 -0.15 -0.89 0.00 0.00 0.00 175.76 174.54 2pqe n ILE 18 N -1.24 0.76 -2.74 0.00 2.08 0.41 -4.84 119.36 113.78 2pqe n ILE 18 Ca 0.06 -0.24 -0.09 0.00 0.56 0.00 0.00 62.75 63.04 2pqe n ILE 18 Cb 0.54 -1.31 0.09 0.00 -0.75 0.00 0.00 39.64 38.20 2pqe n ILE 18 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2pqe n ASP 19 N -3.24 -1.25 0.00 4.38 8.00 -0.13 -4.97 116.55 119.35 2pqe n ASP 19 Ca -0.25 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.40 2pqe n ASP 19 Cb 0.72 0.86 0.00 0.00 -0.02 0.00 0.00 41.12 42.68 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 -0.21 0.66 0.08 0.44 0.00 -1.26 -3.51 105.19 101.40 2pqe n GLY 20 Ca 0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 0.18 -3.31 1.61 2.03 -1.89 -3.42 116.42 111.62 2pqe h ASP 21 Ca 0.00 -0.22 -0.72 0.00 -0.73 0.00 0.00 57.03 55.36 2pqe h ASP 21 Cb 0.00 -0.06 -0.21 0.00 -0.83 0.00 0.00 39.33 38.24 2pqe h ASP 21 CO 0.00 1.18 -0.20 -0.89 -1.03 0.00 0.00 179.24 178.30 2pqe s THR 22 N -2.66 5.10 0.04 1.15 2.01 -1.23 -0.85 115.64 119.21 2pqe s THR 22 Ca -0.03 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.20 2pqe s THR 22 Cb 0.08 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 2pqe s THR 22 CO 0.84 -0.63 -0.11 0.68 -0.69 0.00 0.00 174.62 174.71 2pqe s VAL 23 N 2.01 0.83 -0.52 3.82 -7.23 0.32 0.15 120.40 119.79 2pqe s VAL 23 Ca 0.08 -0.98 -0.23 0.00 -1.81 0.00 0.00 61.98 59.04 2pqe s VAL 23 Cb -0.22 -0.80 0.04 0.00 0.56 0.00 0.00 36.38 35.96 2pqe s VAL 23 CO 0.09 -0.15 0.85 -0.54 -0.31 0.00 0.00 175.10 175.04 2pqe s LYS 24 N -1.27 3.32 -0.13 4.82 1.02 0.92 0.83 119.74 129.25 2pqe s LYS 24 Ca -0.03 -0.31 -0.02 0.00 0.02 0.00 0.00 55.97 55.63 2pqe s LYS 24 Cb -0.08 -4.03 -0.03 0.00 -0.52 0.00 0.00 37.83 33.17 2pqe s LYS 24 CO 0.01 -1.35 -0.06 -1.17 -0.92 0.00 0.00 175.35 171.86 2pqe s LEU 25 N 3.58 3.13 -0.74 3.17 0.20 0.07 -0.28 118.68 127.82 2pqe s LEU 25 Ca 0.28 -0.14 -0.25 0.00 0.69 0.00 0.00 54.13 54.71 2pqe s LEU 25 Cb -0.13 -1.73 0.05 0.00 -0.43 0.00 0.00 46.19 43.94 2pqe s LEU 25 CO 0.19 0.21 1.18 -0.32 -0.29 0.00 0.00 176.35 177.32 2pqe s MET 26 N 0.11 3.21 -0.07 1.98 1.75 0.43 -0.98 119.30 125.72 2pqe s MET 26 Ca -0.02 -0.56 -0.03 0.00 -1.25 0.00 0.00 55.69 53.84 2pqe s MET 26 Cb -0.14 -4.31 -0.04 0.00 2.84 0.00 0.00 34.83 33.19 2pqe s MET 26 CO 0.03 -2.03 0.06 -0.47 -0.65 0.00 0.00 175.02 171.96 2pqe s TYR 27 N 5.02 3.29 -0.46 4.11 6.14 0.29 -2.41 117.35 133.33 2pqe s TYR 27 Ca 0.31 0.27 0.00 0.00 0.64 0.00 0.00 57.07 58.30 2pqe s TYR 27 Cb -0.10 -1.81 0.00 0.00 0.42 0.00 0.00 41.96 40.47 2pqe s TYR 27 CO 0.11 0.55 0.00 0.36 0.64 0.00 0.00 175.55 177.21 2pqe n LYS 28 N 1.81 -2.36 -0.59 4.97 -0.00 -1.26 0.12 118.16 120.85 2pqe n LYS 28 Ca -0.17 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2pqe n LYS 28 Cb 0.54 -4.71 0.00 0.00 -0.00 0.00 0.00 35.03 30.86 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 0.64 2.86 2.58 0.00 -1.26 -5.07 105.19 104.42 2pqe n GLY 29 Ca -0.06 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.11 0.33 -0.77 1.61 -2.07 0.32 -5.10 119.66 112.88 2pqe s GLN 30 Ca 0.00 0.00 -0.25 0.00 -1.82 0.00 0.00 55.36 53.30 2pqe s GLN 30 Cb 0.00 -0.44 0.05 0.00 -1.09 0.00 0.00 33.01 31.53 2pqe s GLN 30 CO 0.00 -0.07 1.22 0.00 -1.32 0.00 0.00 175.29 175.12 2pqe s ALA 31 N 0.68 2.87 0.14 2.60 0.00 -1.26 0.10 121.76 126.90 2pqe s ALA 31 Ca -0.07 -1.70 0.06 0.00 0.00 0.00 0.00 51.96 50.24 2pqe s ALA 31 Cb -0.10 -4.19 -0.04 0.00 0.00 0.00 0.00 23.12 18.79 2pqe s ALA 31 CO -0.01 -3.20 0.04 0.00 0.00 0.00 0.00 175.76 172.59 2pqe s MET 32 N 5.04 2.60 -0.43 0.00 0.00 -0.16 -4.87 119.30 121.48 2pqe s MET 32 Ca 0.33 -0.94 -0.29 0.00 0.00 0.00 0.00 55.69 54.79 2pqe s MET 32 Cb -0.09 -2.51 0.03 0.00 0.00 0.00 0.00 34.83 32.26 2pqe s MET 32 CO 0.09 0.49 1.12 0.99 0.00 0.00 0.00 175.02 177.71 2pqe s THR 33 N -1.59 4.29 -0.07 3.16 2.01 -1.26 -0.75 115.64 121.43 2pqe s THR 33 Ca 0.28 1.37 -0.12 0.00 0.31 0.00 0.00 61.69 63.53 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 0.20 -0.86 0.30 -0.36 -0.69 0.00 0.00 174.62 173.21 2pqe s PHE 34 N 4.23 3.64 -0.12 4.92 0.40 0.24 0.98 117.98 132.27 2pqe s PHE 34 Ca 0.47 0.77 0.02 0.00 -0.60 0.00 0.00 56.93 57.59 2pqe s PHE 34 Cb -0.09 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.27 2pqe s PHE 34 CO 0.27 0.60 -0.18 1.03 0.70 0.00 0.00 175.22 177.64 2pqe s ARG 35 N -0.76 2.51 -0.14 0.44 0.52 -0.91 -0.52 118.95 120.09 2pqe s ARG 35 Ca 0.20 -0.67 -0.32 0.00 -0.52 0.00 0.00 55.73 54.42 2pqe s ARG 35 Cb -0.14 -2.08 -0.09 0.00 0.52 0.00 0.00 34.95 33.15 2pqe s ARG 35 CO 0.09 -0.04 2.04 -0.11 0.02 0.00 0.00 175.30 177.30 2pqe n LEU 36 N 4.15 3.32 -4.74 2.53 -0.00 -0.03 -1.55 117.00 120.68 2pqe n LEU 36 Ca -0.19 0.66 -0.41 0.00 -0.00 0.00 0.00 56.01 56.07 2pqe n LEU 36 Cb 0.51 -1.43 -0.04 0.00 -0.00 0.00 0.00 43.42 42.46 2pqe n LEU 36 CO 0.25 -0.29 0.77 -0.76 -0.00 0.00 0.00 177.39 177.36 2pqe s LEU 37 N 5.85 4.52 -1.72 -1.96 1.43 -0.83 -3.19 118.68 122.78 2pqe s LEU 37 Ca 0.97 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 56.16 2pqe s LEU 37 Cb -0.58 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.04 2pqe s LEU 37 CO 0.45 -0.15 0.00 0.18 0.23 0.00 0.00 176.35 177.06 2pqe n LEU 38 N 2.09 -1.32 -3.95 1.79 4.77 -1.26 -4.80 117.00 114.32 2pqe n LEU 38 Ca 0.01 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 2pqe n LEU 38 Cb 0.46 -2.46 -0.13 0.00 -2.33 0.00 0.00 43.42 38.96 2pqe n LEU 38 CO 0.53 -0.72 -0.38 -0.69 -1.33 0.00 0.00 177.39 174.80 2pqe s VAL 39 N -2.53 0.25 -0.24 4.08 1.01 -1.19 -2.30 120.40 119.47 2pqe s VAL 39 Ca 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 2pqe s VAL 39 Cb 0.00 -0.27 0.07 0.00 0.00 0.00 0.00 36.38 36.18 2pqe s VAL 39 CO 0.00 -0.11 -0.01 -1.81 0.00 0.00 0.00 175.10 173.17 2pqe s ASP 40 N -0.55 3.68 -0.91 3.32 1.01 -1.02 -4.53 116.67 117.67 2pqe s ASP 40 Ca -0.04 -1.17 -0.03 0.00 0.71 0.00 0.00 52.55 52.02 2pqe s ASP 40 Cb -0.04 -1.03 0.23 0.00 1.01 0.00 0.00 42.92 43.09 2pqe s ASP 40 CO -0.00 -0.27 0.82 -0.89 0.21 0.00 0.00 175.17 175.03 2pqe s THR 41 N 1.50 4.64 0.29 -1.27 2.01 -1.26 0.01 115.64 121.57 2pqe s THR 41 Ca -0.03 -3.70 0.00 0.00 0.31 0.00 0.00 61.69 58.27 2pqe s THR 41 Cb -0.18 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.46 2pqe s THR 41 CO -0.08 -1.09 0.00 0.00 -0.69 0.00 0.00 174.62 172.76 2pqe n ALA 42 N 2.51 -3.03 -2.20 7.40 0.00 -1.26 -3.66 120.51 120.27 2pqe n ALA 42 Ca 0.21 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 54.04 2pqe n ALA 42 Cb 0.38 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 -3.68 0.13 -3.33 0.00 4.07 -1.26 -4.84 120.64 111.73 2pqe n GLU 43 Ca 0.00 -0.17 -0.45 0.00 -0.06 0.00 0.00 57.16 56.48 2pqe n GLU 43 Cb 0.54 0.21 -0.00 0.00 -0.06 0.00 0.00 31.44 32.13 2pqe n GLU 43 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2pqe s THR 44 N 0.01 5.96 -0.37 6.31 -4.23 -1.26 -4.81 115.64 117.26 2pqe s THR 44 Ca 0.01 -3.35 0.07 0.00 -1.18 0.00 0.00 61.69 57.24 2pqe s THR 44 Cb 0.04 -4.61 0.63 0.00 1.34 0.00 0.00 72.50 69.91 2pqe s THR 44 CO -0.01 -1.19 1.74 2.29 -0.54 0.00 0.00 174.62 176.91 2pqe n LYS 45 N 2.84 2.41 -0.85 3.99 0.00 -1.26 -4.34 118.16 120.95 2pqe n LYS 45 Ca 0.23 -3.07 -0.05 0.00 -0.00 0.00 0.00 58.31 55.42 2pqe n LYS 45 Cb 0.40 -2.06 -0.05 0.00 -0.00 0.00 0.00 35.03 33.32 2pqe n LYS 45 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2pqe n HIS 46 N -0.94 0.00 -2.65 5.58 1.44 -1.26 -5.05 115.22 112.34 2pqe n HIS 46 Ca 0.47 -0.36 -0.02 0.00 -2.01 0.00 0.00 57.72 55.80 2pqe n HIS 46 Cb 1.40 0.43 0.00 0.00 0.12 0.00 0.00 29.99 31.94 2pqe n HIS 46 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 2pqe n THR 47 N 0.00 -8.27 0.06 0.61 -1.04 -1.26 -4.94 114.28 99.44 2pqe n THR 47 Ca -0.20 0.05 -0.14 0.00 -2.04 0.00 0.00 64.05 61.72 2pqe n THR 47 Cb 0.60 -6.24 -0.08 0.00 -1.82 0.00 0.00 70.33 62.80 2pqe n THR 47 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2pqe h LYS 48 N 0.67 -0.58 0.00 -2.82 3.64 -1.94 -3.46 116.57 112.08 2pqe h LYS 48 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2pqe h LYS 48 Cb 0.94 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2pqe h LYS 48 CO 0.21 -0.39 0.00 0.36 -2.27 0.00 0.00 179.45 177.36 2pqe n LYS 49 N -5.46 0.00 0.00 1.90 -0.00 -1.26 -5.05 118.16 108.29 2pqe n LYS 49 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 2pqe n LYS 49 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.41 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 -0.60 -1.48 3.79 2.58 0.00 -1.26 -4.99 105.19 103.24 2pqe n GLY 50 Ca 0.00 0.47 -0.36 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.93 0.16 1.61 0.31 -1.26 -4.86 118.33 109.36 2pqe n VAL 51 Ca 0.00 -0.82 0.02 0.00 -0.01 0.00 0.00 64.34 63.53 2pqe n VAL 51 Cb 0.00 -3.74 0.26 0.00 -0.91 0.00 0.00 33.84 29.45 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 -2.04 0.00 -0.74 5.55 4.11 -1.99 -3.26 114.58 116.22 2pqe h GLU 52 Ca -0.67 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.30 2pqe h GLU 52 Cb 1.37 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 30.20 2pqe h GLU 52 CO 0.49 0.49 -0.91 1.63 0.07 0.00 0.00 179.01 180.77 2pqe n LYS 53 N -3.70 2.95 -3.69 1.06 4.76 -1.26 -4.94 118.16 113.35 2pqe n LYS 53 Ca -0.01 -3.97 -0.26 0.00 -2.87 0.00 0.00 58.31 51.21 2pqe n LYS 53 Cb 0.55 -2.04 0.06 0.00 -1.84 0.00 0.00 35.03 31.77 2pqe n LYS 53 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2pqe n TYR 54 N -0.63 -2.68 -0.25 2.13 4.02 -1.23 -4.77 117.16 113.75 2pqe n TYR 54 Ca 0.31 0.98 0.01 0.00 -0.01 0.00 0.00 57.90 59.20 2pqe n TYR 54 Cb 0.89 -4.72 0.23 0.00 -0.02 0.00 0.00 39.34 35.72 2pqe n TYR 54 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2pqe h GLY 55 N -2.48 1.15 0.14 2.72 0.00 -1.92 0.82 103.07 103.49 2pqe h GLY 55 Ca -0.57 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.34 2pqe h GLY 55 CO 0.59 0.38 -0.00 0.00 0.00 0.00 0.00 176.54 177.50 2pqe h ALA 56 N 1.51 -0.01 -0.05 3.60 0.00 -1.92 -3.16 119.26 119.23 2pqe h ALA 56 Ca 0.31 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2pqe h ALA 56 Cb -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2pqe h ALA 56 CO -0.08 -0.07 0.04 1.49 0.00 0.00 0.00 179.25 180.62 2pqe h GLU 57 N -0.88 0.00 -0.14 0.00 4.57 -1.93 -0.41 114.58 115.81 2pqe h GLU 57 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2pqe h GLU 57 Cb 0.82 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2pqe h GLU 57 CO 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 179.01 177.83 2pqe h ALA 58 N 1.97 0.19 -0.28 2.92 0.00 -0.89 -1.12 119.26 122.05 2pqe h ALA 58 Ca 0.02 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 2pqe h ALA 58 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pqe h ALA 58 CO -0.00 -0.11 -0.52 0.66 0.00 0.00 0.00 179.25 179.28 2pqe h SER 59 N -0.02 0.94 -0.24 0.00 4.64 -1.39 -2.69 113.55 114.79 2pqe h SER 59 Ca 0.04 -0.53 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 2pqe h SER 59 Cb 0.38 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2pqe h SER 59 CO 0.01 1.29 0.13 0.00 -0.87 0.00 0.00 176.83 177.39 2pqe h ALA 60 N 0.67 0.31 -0.39 5.18 0.00 -1.09 0.88 119.26 124.81 2pqe h ALA 60 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pqe h ALA 60 Cb 1.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2pqe h ALA 60 CO 0.12 -0.15 0.23 0.35 0.00 0.00 0.00 179.25 179.79 2pqe h PHE 61 N 0.27 0.51 -0.04 0.00 3.57 -1.24 0.58 116.94 120.59 2pqe h PHE 61 Ca 0.08 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.41 2pqe h PHE 61 Cb 0.08 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2pqe h PHE 61 CO -0.03 0.37 -0.72 1.15 -2.23 0.00 0.00 178.31 176.85 2pqe h THR 62 N 0.51 1.42 -0.13 4.41 2.02 -1.34 -0.07 112.91 119.73 2pqe h THR 62 Ca 0.14 -2.23 -0.11 0.00 0.77 0.00 0.00 66.41 64.98 2pqe h THR 62 Cb 0.01 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2pqe h THR 62 CO -0.03 0.66 -0.35 0.50 0.37 0.00 0.00 175.52 176.67 2pqe h LYS 63 N 0.17 0.46 0.00 6.66 3.64 0.11 -2.10 116.57 125.51 2pqe h LYS 63 Ca -0.02 -0.32 -0.19 0.00 -1.27 0.00 0.00 60.65 58.84 2pqe h LYS 63 Cb 1.27 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 2pqe h LYS 63 CO 0.11 0.94 -0.86 1.57 -2.27 0.00 0.00 179.45 178.94 2pqe h LYS 64 N 0.06 0.17 -0.04 1.90 5.09 0.12 -0.68 116.57 123.20 2pqe h LYS 64 Ca -0.01 -0.18 -0.12 0.00 0.09 0.00 0.00 60.65 60.43 2pqe h LYS 64 Cb 0.96 0.05 -0.01 0.00 0.10 0.00 0.00 32.23 33.33 2pqe h LYS 64 CO 0.07 0.93 -0.53 1.98 -2.09 0.00 0.00 179.45 179.81 2pqe h MET 65 N 0.10 0.11 0.08 0.07 4.05 -1.05 -0.83 114.93 117.45 2pqe h MET 65 Ca -0.04 -0.06 -0.25 0.00 -0.28 0.00 0.00 59.70 59.07 2pqe h MET 65 Cb 1.48 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.27 2pqe h MET 65 CO 0.13 0.62 -1.31 -0.39 0.23 0.00 0.00 176.91 176.19 2pqe h VAL 66 N 0.08 1.02 0.00 -5.77 -1.51 -1.36 -1.91 116.25 106.81 2pqe h VAL 66 Ca -0.00 -2.33 -0.03 0.00 -1.23 0.00 0.00 66.70 63.10 2pqe h VAL 66 Cb 0.97 2.62 -0.00 0.00 -2.13 0.00 0.00 31.29 32.74 2pqe h VAL 66 CO 0.08 0.61 -0.17 -0.33 -1.23 0.00 0.00 177.57 176.53 2pqe h GLU 67 N -0.51 0.00 0.02 5.19 4.39 -1.18 -3.07 114.58 119.41 2pqe h GLU 67 Ca -0.30 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 -0.05 0.00 -0.10 0.00 0.00 28.75 30.20 2pqe h GLU 67 CO -0.02 0.17 -2.10 -1.71 -1.16 0.00 0.00 179.01 174.19 2pqe n ASN 68 N -3.45 0.95 -0.20 1.42 5.15 -0.32 -4.36 115.26 114.45 2pqe n ASN 68 Ca -0.01 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 2pqe n ASN 68 Cb 0.34 0.11 0.11 0.00 -0.53 0.00 0.00 39.78 39.81 2pqe n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pqe h ALA 69 N 0.70 0.77 0.00 5.20 0.00 -1.24 -3.46 119.26 121.23 2pqe h ALA 69 Ca -0.44 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2pqe h ALA 69 Cb 2.08 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2pqe h ALA 69 CO 0.04 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.71 2pqe n LYS 70 N -5.01 0.00 -3.97 0.00 5.02 -1.20 -4.73 118.16 108.26 2pqe n LYS 70 Ca 0.09 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.09 2pqe n LYS 70 Cb 0.28 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.12 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 1.99 -0.01 1.97 2.20 -1.26 -4.84 119.74 119.79 2pqe s LYS 71 Ca 0.00 -0.46 0.07 0.00 -0.36 0.00 0.00 55.97 55.22 2pqe s LYS 71 Cb 0.00 -1.93 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2pqe s LYS 71 CO 0.00 -0.26 -0.23 0.42 -0.36 0.00 0.00 175.35 174.92 2pqe s ILE 72 N 1.57 1.83 0.03 5.43 1.09 -1.26 0.53 121.20 130.42 2pqe s ILE 72 Ca 0.05 -1.01 0.02 0.00 -1.10 0.00 0.00 60.65 58.61 2pqe s ILE 72 Cb -0.13 -1.52 -0.02 0.00 -1.06 0.00 0.00 42.46 39.73 2pqe s ILE 72 CO -0.10 0.50 -0.08 -1.61 -0.10 0.00 0.00 174.94 173.56 2pqe s GLU 73 N -0.58 0.55 0.08 2.79 8.01 0.24 -2.42 118.70 127.37 2pqe s GLU 73 Ca 0.09 -0.62 0.07 0.00 0.01 0.00 0.00 54.97 54.52 2pqe s GLU 73 Cb -0.09 -0.40 -0.03 0.00 -4.31 0.00 0.00 34.13 29.30 2pqe s GLU 73 CO -0.01 0.09 -0.19 0.14 0.01 0.00 0.00 175.26 175.29 2pqe s VAL 74 N -1.02 1.58 -0.16 2.63 -7.23 -1.02 0.73 120.40 115.92 2pqe s VAL 74 Ca -0.06 -1.42 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2pqe s VAL 74 Cb -0.08 -1.43 0.04 0.00 0.56 0.00 0.00 36.38 35.47 2pqe s VAL 74 CO 0.00 -0.04 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.00 2pqe s GLU 75 N -1.72 1.40 -0.00 4.82 2.12 -0.87 -0.77 118.70 123.67 2pqe s GLU 75 Ca 0.05 -0.45 -0.21 0.00 0.36 0.00 0.00 54.97 54.71 2pqe s GLU 75 Cb -0.10 -1.91 -0.05 0.00 0.26 0.00 0.00 34.13 32.33 2pqe s GLU 75 CO 0.03 -0.41 0.63 -0.06 -0.54 0.00 0.00 175.26 174.91 2pqe s PHE 76 N 1.66 3.68 0.00 5.30 0.40 -1.26 -2.21 117.98 125.55 2pqe s PHE 76 Ca 0.01 1.24 0.00 0.00 -0.60 0.00 0.00 56.93 57.59 2pqe s PHE 76 Cb -0.15 -2.66 0.00 0.00 0.51 0.00 0.00 43.02 40.73 2pqe s PHE 76 CO -0.08 0.32 0.00 -0.25 0.70 0.00 0.00 175.22 175.91 2pqe n ASP 77 N 2.83 0.00 -1.60 1.36 9.92 -1.26 -4.96 116.55 122.83 2pqe n ASP 77 Ca -0.06 -0.73 0.05 0.00 -0.53 0.00 0.00 54.79 53.53 2pqe n ASP 77 Cb 0.51 0.00 0.32 0.00 -0.64 0.00 0.00 41.12 41.31 2pqe n ASP 77 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2pqe n LYS 78 N -0.73 4.05 0.00 -1.24 3.00 -1.26 -4.82 118.16 117.16 2pqe n LYS 78 Ca 0.00 -2.47 0.00 0.00 -0.00 0.00 0.00 58.31 55.84 2pqe n LYS 78 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 35.03 32.93 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 0.47 0.39 3.87 3.14 0.00 -1.26 -4.61 105.19 107.19 2pqe n GLY 79 Ca 0.22 0.00 -0.29 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 2.83 3.21 -0.13 1.61 0.74 -1.26 -4.79 119.66 121.86 2pqe s GLN 80 Ca 0.00 -0.61 0.15 0.00 0.05 0.00 0.00 55.36 54.95 2pqe s GLN 80 Cb 0.00 -2.88 -0.21 0.00 1.10 0.00 0.00 33.01 31.02 2pqe s GLN 80 CO 0.00 0.56 0.12 -2.13 -0.55 0.00 0.00 175.29 173.29 2pqe n ARG 81 N 0.07 1.22 -3.58 1.67 0.63 -1.26 -4.66 116.66 110.75 2pqe n ARG 81 Ca -0.07 -0.04 -0.21 0.00 -0.92 0.00 0.00 57.85 56.62 2pqe n ARG 81 Cb 0.52 -1.41 -0.15 0.00 0.45 0.00 0.00 32.46 31.87 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 -2.54 -0.21 -1.07 5.15 -4.23 -1.26 0.10 115.64 111.58 2pqe s THR 82 Ca -0.08 -0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.33 2pqe s THR 82 Cb 0.06 -0.53 -0.07 0.00 1.34 0.00 0.00 72.50 73.30 2pqe s THR 82 CO 0.67 -0.14 2.25 -0.67 -0.54 0.00 0.00 174.62 176.19 2pqe n ASP 83 N 5.30 5.22 -2.40 3.99 -0.08 -1.26 -4.45 116.55 122.87 2pqe n ASP 83 Ca -0.06 -2.46 -0.07 0.00 -1.51 0.00 0.00 54.79 50.69 2pqe n ASP 83 Cb 0.49 -1.23 -0.00 0.00 2.34 0.00 0.00 41.12 42.72 2pqe n ASP 83 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2pqe n LYS 84 N 4.67 -2.49 -0.42 -0.67 4.01 -1.26 -4.73 118.16 117.28 2pqe n LYS 84 Ca 0.53 0.34 0.03 0.00 -0.51 0.00 0.00 58.31 58.70 2pqe n LYS 84 Cb 0.21 -4.87 0.04 0.00 -0.51 0.00 0.00 35.03 29.90 2pqe n LYS 84 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2pqe n TYR 85 N -2.92 0.00 -1.88 2.13 4.01 -1.26 -4.98 117.16 112.26 2pqe n TYR 85 Ca -0.08 -0.32 -0.13 0.00 -0.16 0.00 0.00 57.90 57.21 2pqe n TYR 85 Cb 0.54 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.46 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 -0.40 0.44 4.01 2.72 0.00 -1.26 -4.94 105.19 105.76 2pqe n GLY 86 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 2pqe n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pqe s ARG 87 N -4.02 2.22 -0.88 1.61 1.81 -1.26 -4.69 118.95 113.73 2pqe s ARG 87 Ca 0.00 -1.32 -0.01 0.00 -1.72 0.00 0.00 55.73 52.68 2pqe s ARG 87 Cb 0.00 -2.55 0.23 0.00 -0.45 0.00 0.00 34.95 32.18 2pqe s ARG 87 CO 0.00 -0.93 0.84 0.41 -0.68 0.00 0.00 175.30 174.93 2pqe n GLY 88 N -2.38 4.30 3.63 -3.53 0.00 0.28 -3.99 105.19 103.49 2pqe n GLY 88 Ca 0.13 -2.62 -0.46 0.00 0.00 0.00 0.00 46.02 43.07 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 2.02 3.37 0.00 0.99 4.77 0.29 -2.13 117.00 126.30 2pqe n LEU 89 Ca 0.23 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 2pqe n LEU 89 Cb 0.37 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 2pqe n LEU 89 CO 0.40 -0.24 0.00 0.00 -1.33 0.00 0.00 177.39 176.22 2pqe n ALA 90 N 8.44 0.00 -1.92 -1.18 0.00 -0.59 -4.63 120.51 120.63 2pqe n ALA 90 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.32 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 3.82 -0.15 0.00 2.02 -0.94 -1.96 117.35 118.13 2pqe s TYR 91 Ca 0.00 1.66 -0.08 0.00 -0.37 0.00 0.00 57.07 58.29 2pqe s TYR 91 Cb 0.00 -2.81 -0.04 0.00 -0.40 0.00 0.00 41.96 38.71 2pqe s TYR 91 CO 0.00 0.40 0.11 0.42 -1.57 0.00 0.00 175.55 174.91 2pqe s ILE 92 N -1.34 5.28 -0.08 2.71 -1.09 -1.26 -2.05 121.20 123.37 2pqe s ILE 92 Ca 0.42 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 2pqe s ILE 92 Cb -0.21 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.35 2pqe s ILE 92 CO 0.25 0.54 -0.06 -0.31 -1.23 0.00 0.00 174.94 174.13 2pqe s TYR 93 N -0.41 1.12 -0.17 3.97 1.51 0.22 -1.49 117.35 122.11 2pqe s TYR 93 Ca 0.11 -0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 2pqe s TYR 93 Cb -0.12 -0.96 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 2pqe s TYR 93 CO 0.01 -0.34 -0.01 0.00 -1.11 0.00 0.00 175.55 174.11 2pqe s ALA 94 N 1.30 3.08 -1.74 3.71 0.00 0.97 0.80 121.76 129.87 2pqe s ALA 94 Ca -0.04 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 2pqe s ALA 94 Cb -0.14 -1.69 0.14 0.00 0.00 0.00 0.00 23.12 21.43 2pqe s ALA 94 CO -0.03 0.09 0.40 -3.47 0.00 0.00 0.00 175.76 172.75 2pqe n ASP 95 N 3.76 -0.90 -0.42 0.00 2.03 0.19 0.16 116.55 121.37 2pqe n ASP 95 Ca -0.17 -1.23 -0.05 0.00 0.52 0.00 0.00 54.79 53.86 2pqe n ASP 95 Cb 0.52 -1.73 -0.02 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 -1.66 0.65 3.31 0.27 0.00 -1.26 -5.03 105.19 101.47 2pqe n GLY 96 Ca -0.06 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.77 2.04 -0.21 1.61 2.47 0.42 -5.10 119.74 118.21 2pqe s LYS 97 Ca 0.00 -0.95 -0.29 0.00 -1.56 0.00 0.00 55.97 53.17 2pqe s LYS 97 Cb 0.00 -2.01 0.00 0.00 -1.46 0.00 0.00 37.83 34.36 2pqe s LYS 97 CO 0.00 0.55 1.11 1.41 0.16 0.00 0.00 175.35 178.58 2pqe s MET 98 N -0.71 4.25 0.04 4.03 1.75 -1.26 -0.02 119.30 127.38 2pqe s MET 98 Ca 0.10 1.46 -0.18 0.00 -1.25 0.00 0.00 55.69 55.82 2pqe s MET 98 Cb -0.10 -3.68 -0.18 0.00 2.84 0.00 0.00 34.83 33.72 2pqe s MET 98 CO -0.00 -0.65 1.23 0.28 -0.65 0.00 0.00 175.02 175.23 2pqe h VAL 99 N 5.46 1.37 -0.22 10.11 2.07 -1.64 -2.38 116.25 131.01 2pqe h VAL 99 Ca -0.22 -1.78 0.03 0.00 0.82 0.00 0.00 66.70 65.55 2pqe h VAL 99 Cb 1.08 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 33.00 2pqe h VAL 99 CO 0.97 0.53 0.05 -0.55 0.02 0.00 0.00 177.57 178.60 2pqe h ASN 100 N 0.08 0.03 -0.15 0.57 -1.07 -1.92 -0.44 115.58 112.68 2pqe h ASN 100 Ca -0.03 0.03 -0.01 0.00 0.07 0.00 0.00 56.30 56.37 2pqe h ASN 100 Cb 1.09 0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 37.37 2pqe h ASN 100 CO 0.09 0.05 0.07 -0.33 0.07 0.00 0.00 177.43 177.38 2pqe h GLU 101 N 0.14 0.22 -0.42 4.14 5.08 -1.94 -0.07 114.58 121.73 2pqe h GLU 101 Ca 0.10 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2pqe h GLU 101 Cb 0.09 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2pqe h GLU 101 CO -0.13 0.27 0.16 0.00 -1.00 0.00 0.00 179.01 178.31 2pqe h ALA 102 N 0.94 0.51 0.22 3.43 0.00 -1.19 0.92 119.26 124.09 2pqe h ALA 102 Ca 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2pqe h ALA 102 Cb 0.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2pqe h ALA 102 CO -0.01 -0.22 -0.11 -0.07 0.00 0.00 0.00 179.25 178.85 2pqe h LEU 103 N 0.34 -0.25 -0.81 0.00 3.38 -0.97 0.11 115.31 117.10 2pqe h LEU 103 Ca 0.19 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2pqe h LEU 103 Cb 0.17 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2pqe h LEU 103 CO -0.19 0.10 0.31 0.58 0.09 0.00 0.00 178.44 179.33 2pqe h VAL 104 N -0.63 1.26 -0.07 1.22 2.07 -0.88 0.90 116.25 120.12 2pqe h VAL 104 Ca -0.03 -0.83 -0.12 0.00 0.82 0.00 0.00 66.70 66.54 2pqe h VAL 104 Cb 0.45 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2pqe h VAL 104 CO 0.05 0.34 -0.49 0.03 0.02 0.00 0.00 177.57 177.51 2pqe h ARG 105 N 1.16 0.19 0.00 1.57 3.08 0.87 -2.99 114.38 118.26 2pqe h ARG 105 Ca 0.26 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 60.07 2pqe h ARG 105 Cb 0.22 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2pqe h ARG 105 CO -0.02 0.64 -1.00 1.96 -1.07 0.00 0.00 179.97 180.48 2pqe h GLN 106 N 0.15 0.00 -0.08 0.04 1.08 -0.31 -3.46 115.11 112.52 2pqe h GLN 106 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2pqe h GLN 106 Cb 0.93 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 2pqe h GLN 106 CO 0.07 0.42 0.00 0.41 -0.95 0.00 0.00 178.83 178.78 2pqe n GLY 107 N 1.32 0.79 0.92 3.46 0.00 0.27 -4.26 105.19 107.69 2pqe n GLY 107 Ca -0.04 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.04 0.20 -4.55 0.99 4.32 0.13 -2.02 117.00 116.02 2pqe n LEU 108 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.65 2pqe n LEU 108 Cb 0.02 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.71 2pqe n LEU 108 CO 0.00 -0.18 -0.30 0.00 -1.22 0.00 0.00 177.39 175.69 2pqe s ALA 109 N -1.56 3.21 0.54 -1.18 0.00 -1.19 -4.31 121.76 117.27 2pqe s ALA 109 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2pqe s ALA 109 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.33 2pqe s ALA 109 CO 0.00 0.11 0.00 1.63 0.00 0.00 0.00 175.76 177.50 2pqe n LYS 110 N 3.71 2.08 -3.92 0.00 4.01 0.10 -3.39 118.16 120.75 2pqe n LYS 110 Ca -0.17 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.28 2pqe n LYS 110 Cb 0.52 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.90 2pqe n LYS 110 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2pqe s VAL 111 N 0.97 3.20 0.68 -0.18 0.11 -1.26 -2.43 120.40 121.48 2pqe s VAL 111 Ca 0.00 -0.75 -0.09 0.00 -2.93 0.00 0.00 61.98 58.22 2pqe s VAL 111 Cb 0.00 -2.54 0.03 0.00 -1.53 0.00 0.00 36.38 32.33 2pqe s VAL 111 CO 0.00 0.30 1.02 0.00 -3.33 0.00 0.00 175.10 173.09 2pqe s ALA 112 N 1.41 3.05 -0.49 1.54 0.00 -0.97 -4.82 121.76 121.48 2pqe s ALA 112 Ca 0.03 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.43 2pqe s ALA 112 Cb -0.15 -2.80 0.14 0.00 0.00 0.00 0.00 23.12 20.30 2pqe s ALA 112 CO -0.03 -1.10 0.27 -0.47 0.00 0.00 0.00 175.76 174.42 2pqe s TYR 113 N -3.24 2.61 0.04 0.00 5.04 -1.26 -4.65 117.35 115.90 2pqe s TYR 113 Ca 0.57 -2.82 -0.20 0.00 -2.44 0.00 0.00 57.07 52.18 2pqe s TYR 113 Cb -0.11 -2.34 -0.14 0.00 0.35 0.00 0.00 41.96 39.72 2pqe s TYR 113 CO 0.48 -0.75 1.37 -0.24 -1.34 0.00 0.00 175.55 175.07 2pqe h VAL 114 N 5.29 1.33 -6.09 3.14 3.04 -1.96 -3.48 116.25 117.51 2pqe h VAL 114 Ca -0.02 -1.22 -0.41 0.00 -1.01 0.00 0.00 66.70 64.04 2pqe h VAL 114 Cb 0.90 1.80 0.08 0.00 -2.01 0.00 0.00 31.29 32.06 2pqe h VAL 114 CO 0.59 0.36 -0.89 0.00 -1.01 0.00 0.00 177.57 176.62 2pqe n TYR 115 N -4.59 -1.97 0.00 3.17 4.19 -1.26 -4.87 117.16 111.83 2pqe n TYR 115 Ca -0.06 0.65 0.00 0.00 3.31 0.00 0.00 57.90 61.80 2pqe n TYR 115 Cb 0.33 -3.84 0.00 0.00 0.49 0.00 0.00 39.34 36.32 2pqe n TYR 115 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 2pqe n LYS 116 N -4.08 0.00 0.00 2.98 4.76 -1.26 -5.06 118.16 115.50 2pqe n LYS 116 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2pqe n LYS 116 Cb 0.63 -0.27 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 2pqe n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pqe n GLY 117 N 1.21 0.13 3.58 0.72 0.00 -1.26 -4.86 105.19 104.72 2pqe n GLY 117 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2pqe n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pqe s ASN 118 N 0.00 3.71 -0.34 1.61 -0.87 -1.26 -4.11 114.94 113.68 2pqe s ASN 118 Ca 0.00 -1.11 0.15 0.00 -1.57 0.00 0.00 52.86 50.33 2pqe s ASN 118 Cb 0.00 -2.60 0.45 0.00 -0.02 0.00 0.00 41.25 39.09 2pqe s ASN 118 CO 0.00 -4.47 1.00 -3.20 -2.57 0.00 0.00 177.10 167.85 2pqe n ASN 119 N 18.76 2.21 -0.06 -1.22 2.85 -1.26 -4.80 115.26 131.74 2pqe n ASN 119 Ca 0.42 -2.91 -0.11 0.00 -0.11 0.00 0.00 54.58 51.87 2pqe n ASN 119 Cb 0.47 -0.51 -0.15 0.00 1.24 0.00 0.00 39.78 40.83 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2pqe n THR 120 N -0.19 1.53 -1.22 -0.44 -1.04 -1.26 -4.42 114.28 107.24 2pqe n THR 120 Ca 0.16 -0.80 0.07 0.00 -2.04 0.00 0.00 64.05 61.44 2pqe n THR 120 Cb 0.79 -0.89 0.10 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 -2.98 0.00 0.14 -1.42 8.25 -1.26 -4.77 115.22 113.19 2pqe n HIS 121 Ca -0.26 -0.72 0.18 0.00 -0.26 0.00 0.00 57.72 56.67 2pqe n HIS 121 Cb 1.09 -0.12 0.78 0.00 1.12 0.00 0.00 29.99 32.86 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 0.00 0.00 -0.03 -0.41 4.22 -1.87 0.93 114.58 117.41 2pqe h GLU 122 Ca 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.25 2pqe h GLU 122 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2pqe h GLU 122 CO 0.00 0.00 -0.79 1.96 -2.18 0.00 0.00 179.01 178.00 2pqe h GLN 123 N 0.00 0.30 -0.00 1.92 1.08 -1.91 -2.00 115.11 114.49 2pqe h GLN 123 Ca 0.14 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2pqe h GLN 123 Cb 0.74 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.23 2pqe h GLN 123 CO -0.00 0.95 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.76 2pqe h LEU 124 N 0.19 0.00 -0.68 1.46 3.38 -1.19 -2.37 115.31 116.10 2pqe h LEU 124 Ca -0.04 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 2pqe h LEU 124 Cb 1.39 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 2pqe h LEU 124 CO 0.13 0.40 0.07 -0.07 0.09 0.00 0.00 178.44 179.06 2pqe h LEU 125 N -0.40 1.05 -1.17 1.67 4.07 -1.55 -1.65 115.31 117.34 2pqe h LEU 125 Ca 0.00 -0.27 0.02 0.00 0.08 0.00 0.00 57.88 57.72 2pqe h LEU 125 Cb 0.40 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.82 2pqe h LEU 125 CO 0.00 1.06 0.57 -0.09 -1.08 0.00 0.00 178.44 178.90 2pqe h ARG 126 N 1.01 1.08 -0.06 1.13 9.65 -1.36 -0.89 114.38 124.94 2pqe h ARG 126 Ca 0.19 -0.06 -0.20 0.00 -1.10 0.00 0.00 59.98 58.80 2pqe h ARG 126 Cb 0.48 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2pqe h ARG 126 CO 0.02 0.71 -0.81 0.87 2.80 0.00 0.00 179.97 183.57 2pqe h LYS 127 N 1.11 0.45 -0.26 0.20 6.56 -1.15 -2.58 116.57 120.90 2pqe h LYS 127 Ca 0.33 -0.40 -0.07 0.00 -1.06 0.00 0.00 60.65 59.45 2pqe h LYS 127 Cb -0.04 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 2pqe h LYS 127 CO -0.09 1.05 -0.14 1.03 -2.06 0.00 0.00 179.45 179.24 2pqe h SER 128 N 0.29 0.42 -0.04 0.86 0.87 -0.63 -2.50 113.55 112.83 2pqe h SER 128 Ca -0.05 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 2pqe h SER 128 Cb 1.41 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2pqe h SER 128 CO 0.14 0.59 -0.17 -0.08 -0.53 0.00 0.00 176.83 176.78 2pqe h GLU 129 N 0.40 0.18 -0.50 2.24 4.81 -1.15 -2.54 114.58 118.03 2pqe h GLU 129 Ca 0.08 -0.15 0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2pqe h GLU 129 Cb 0.49 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 2pqe h GLU 129 CO 0.03 0.80 0.06 0.00 -0.73 0.00 0.00 179.01 179.17 2pqe h ALA 130 N 0.39 0.53 -0.23 2.92 0.00 -1.35 0.99 119.26 122.50 2pqe h ALA 130 Ca -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2pqe h ALA 130 Cb 0.82 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2pqe h ALA 130 CO 0.04 -0.34 0.07 -0.56 0.00 0.00 0.00 179.25 178.46 2pqe h GLN 131 N 0.19 0.36 -0.26 0.00 3.07 -1.52 1.16 115.11 118.11 2pqe h GLN 131 Ca 0.25 -0.08 -0.09 0.00 0.09 0.00 0.00 58.65 58.83 2pqe h GLN 131 Cb 0.36 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.85 2pqe h GLN 131 CO -0.36 0.44 -0.21 0.00 0.09 0.00 0.00 178.83 178.79 2pqe h ALA 132 N 0.90 1.15 0.04 0.06 0.00 -0.95 0.27 119.26 120.72 2pqe h ALA 132 Ca 0.07 -0.32 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 2pqe h ALA 132 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2pqe h ALA 132 CO -0.00 0.54 -1.10 -0.22 0.00 0.00 0.00 179.25 178.46 2pqe h LYS 133 N 0.43 0.08 0.00 0.00 3.11 0.12 0.37 116.57 120.69 2pqe h LYS 133 Ca 0.07 -0.14 -0.17 0.00 -2.81 0.00 0.00 60.65 57.61 2pqe h LYS 133 Cb 0.62 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.87 2pqe h LYS 133 CO 0.04 1.05 -0.79 -0.22 -2.81 0.00 0.00 179.45 176.72 2pqe h LYS 134 N 0.02 0.00 0.00 1.90 3.64 0.16 -3.29 116.57 119.00 2pqe h LYS 134 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2pqe h LYS 134 Cb 1.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 2pqe h LYS 134 CO 0.15 0.79 -1.75 0.39 -2.27 0.00 0.00 179.45 176.76 2pqe n GLU 135 N -3.37 0.59 -3.09 1.90 -0.58 0.94 -5.04 120.64 111.99 2pqe n GLU 135 Ca 0.00 -0.15 -0.02 0.00 -0.42 0.00 0.00 57.16 56.57 2pqe n GLU 135 Cb 0.83 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 30.23 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 -2.07 -1.47 0.11 3.49 4.76 0.13 -4.98 118.16 118.12 2pqe n LYS 136 Ca -0.02 1.39 -0.05 0.00 -2.87 0.00 0.00 58.31 56.76 2pqe n LYS 136 Cb 0.49 -5.77 -0.02 0.00 -1.84 0.00 0.00 35.03 27.88 2pqe n LYS 136 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2pqe h LEU 137 N 0.21 -0.29 0.00 -0.35 3.38 -1.75 -3.42 115.31 113.10 2pqe h LEU 137 Ca -0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2pqe h LEU 137 Cb 1.05 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2pqe h LEU 137 CO 0.32 0.08 0.00 0.59 0.09 0.00 0.00 178.44 179.52 2pqe n ASN 138 N -4.47 0.00 -0.33 -0.43 5.03 -1.26 -4.78 115.26 109.02 2pqe n ASN 138 Ca -0.04 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.57 2pqe n ASN 138 Cb 0.13 0.00 0.35 0.00 -1.02 0.00 0.00 39.78 39.25 2pqe n ASN 138 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.26 175.59 2pqe h ILE 139 N 0.00 0.52 -0.40 2.41 3.07 -1.72 0.81 117.51 122.20 2pqe h ILE 139 Ca 0.00 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.23 2pqe h ILE 139 Cb 0.00 -0.04 0.00 0.00 -0.27 0.00 0.00 36.82 36.51 2pqe h ILE 139 CO 0.00 0.09 0.00 0.79 -1.05 0.00 0.00 178.15 177.98 2pqe n TRP 140 N -4.94 0.98 -1.19 0.16 5.03 -1.26 -4.24 117.44 111.98 2pqe n TRP 140 Ca 0.25 -0.38 -0.29 0.00 3.03 0.00 0.00 57.50 60.11 2pqe n TRP 140 Cb 0.71 -0.20 0.11 0.00 -1.03 0.00 0.00 31.31 30.90 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 0.58 6.13 -1.09 -0.99 7.64 0.28 -4.17 113.62 122.01 2pqe n SER 141 Ca 0.16 -3.61 0.04 0.00 1.01 0.00 0.00 58.87 56.47 2pqe n SER 141 Cb 0.63 -0.93 0.05 0.00 -1.01 0.00 0.00 64.21 62.95 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 -0.84 0.28 -3.64 1.43 -0.00 -1.26 -4.97 120.64 111.64 2pqe n GLU 142 Ca 0.57 -1.99 -0.31 0.00 -0.00 0.00 0.00 57.16 55.42 2pqe n GLU 142 Cb 0.99 -0.40 -0.05 0.00 -0.00 0.00 0.00 31.44 31.98 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 -2.00 6.50 -0.32 -1.84 2.15 -1.26 -5.07 116.67 114.84 2pqe s ASP 143 Ca 0.27 0.62 -0.15 0.00 0.43 0.00 0.00 52.55 53.72 2pqe s ASP 143 Cb 0.30 -2.10 -0.02 0.00 -0.30 0.00 0.00 42.92 40.79 2pqe s ASP 143 CO -0.11 0.03 0.37 0.21 -0.17 0.00 0.00 175.17 175.50 2pqe s ASN 144 N -2.45 6.20 -0.06 -0.34 2.47 -1.26 -4.97 114.94 114.53 2pqe s ASN 144 Ca 0.42 -0.05 -0.03 0.00 0.42 0.00 0.00 52.86 53.62 2pqe s ASN 144 Cb -0.12 -2.20 -0.01 0.00 -1.45 0.00 0.00 41.25 37.47 2pqe s ASN 144 CO 0.24 -0.29 -0.07 0.00 -3.72 0.00 0.00 177.10 173.27 2pqe h ALA 145 N 8.37 0.00 -2.74 1.71 0.00 -2.04 -3.48 119.26 121.08 2pqe h ALA 145 Ca -0.30 -0.29 -0.60 0.00 0.00 0.00 0.00 54.91 53.72 2pqe h ALA 145 Cb 1.15 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 19.01 2pqe h ALA 145 CO 0.68 0.19 -0.68 -0.51 0.00 0.00 0.00 179.25 178.93 2pqe s ASP 146 N -4.50 4.52 0.04 0.00 1.11 -1.26 -5.14 116.67 111.44 2pqe s ASP 146 Ca -0.05 -0.53 -0.01 0.00 0.18 0.00 0.00 52.55 52.13 2pqe s ASP 146 Cb 0.01 -0.86 -0.03 0.00 1.07 0.00 0.00 42.92 43.11 2pqe s ASP 146 CO 0.08 0.07 -0.01 -0.94 1.18 0.00 0.00 175.17 175.55 2pqe s SER 147 N -3.10 0.37 0.00 0.27 1.04 -1.26 -5.15 113.70 105.86 2pqe s SER 147 Ca 0.28 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2pqe s SER 147 Cb -0.08 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2pqe s SER 147 CO 0.18 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2pqe n GLY 148 N 0.65 1.85 0.05 7.32 0.00 -1.26 -5.31 105.19 108.48 2pqe n GLY 148 Ca -0.18 -0.45 0.16 0.00 0.00 0.00 0.00 46.02 45.55 2pqe n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14