#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqe n THR 2 N 0.00 -1.21 -2.03 0.00 -1.04 -1.26 -4.78 114.28 103.96 2pqe n THR 2 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 2pqe n THR 2 Cb 0.00 -3.07 -0.02 0.00 -1.82 0.00 0.00 70.33 65.42 2pqe n THR 2 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2pqe n SER 3 N -2.06 -0.84 -1.70 8.00 7.64 -1.26 -4.97 113.62 118.44 2pqe n SER 3 Ca -0.22 -1.61 -0.17 0.00 1.01 0.00 0.00 58.87 57.88 2pqe n SER 3 Cb 0.67 0.29 0.11 0.00 -1.01 0.00 0.00 64.21 64.27 2pqe n SER 3 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2pqe n THR 4 N -0.23 2.75 -4.12 0.44 -2.24 -1.26 -5.00 114.28 104.62 2pqe n THR 4 Ca -0.20 -3.34 -0.10 0.00 -2.27 0.00 0.00 64.05 58.14 2pqe n THR 4 Cb 0.63 -0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 67.98 2pqe n THR 4 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2pqe s LYS 5 N -3.49 0.70 0.07 -0.78 1.02 -1.26 -5.17 119.74 110.82 2pqe s LYS 5 Ca 0.51 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 55.35 2pqe s LYS 5 Cb 0.43 -0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.61 2pqe s LYS 5 CO 0.01 -0.02 0.02 1.63 -0.92 0.00 0.00 175.35 176.07 2pqe n LYS 6 N 0.39 1.67 -3.03 1.68 4.76 -1.26 -5.09 118.16 117.28 2pqe n LYS 6 Ca -0.15 -0.46 -0.43 0.00 -2.87 0.00 0.00 58.31 54.40 2pqe n LYS 6 Cb 0.59 0.10 -0.06 0.00 -1.84 0.00 0.00 35.03 33.82 2pqe n LYS 6 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2pqe s LEU 7 N 0.00 4.35 -0.10 -0.35 1.43 -1.26 -5.03 118.68 117.72 2pqe s LEU 7 Ca 0.01 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 2pqe s LEU 7 Cb -0.00 -2.86 -0.00 0.00 0.03 0.00 0.00 46.19 43.36 2pqe s LEU 7 CO 0.01 -0.84 -0.24 -2.28 0.23 0.00 0.00 176.35 173.23 2pqe s HIS 8 N 3.06 2.55 0.59 0.29 2.46 -1.26 -5.12 115.29 117.86 2pqe s HIS 8 Ca 0.27 -1.01 -0.17 0.00 0.47 0.00 0.00 55.06 54.61 2pqe s HIS 8 Cb -0.13 -1.70 -0.04 0.00 -0.13 0.00 0.00 32.58 30.58 2pqe s HIS 8 CO 0.21 -0.40 1.11 -1.59 -2.47 0.00 0.00 174.74 171.60 2pqe s LYS 9 N 0.29 3.17 -0.30 2.88 0.00 -1.26 -4.76 119.74 119.75 2pqe s LYS 9 Ca -0.17 1.47 -0.16 0.00 0.00 0.00 0.00 55.97 57.10 2pqe s LYS 9 Cb -0.18 -1.99 0.20 0.00 0.00 0.00 0.00 37.83 35.86 2pqe s LYS 9 CO 0.08 -0.97 1.23 -2.00 0.00 0.00 0.00 175.35 173.70 2pqe s GLU 10 N -3.67 0.09 0.00 1.78 2.12 0.89 -4.77 118.70 115.14 2pqe s GLU 10 Ca 0.69 0.15 0.00 0.00 0.36 0.00 0.00 54.97 56.17 2pqe s GLU 10 Cb -0.21 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.20 2pqe s GLU 10 CO 0.33 -0.02 0.00 0.00 -0.54 0.00 0.00 175.26 175.03 2pqe n ALA 11 N 3.09 0.37 0.00 6.30 0.00 -1.25 -2.33 120.51 126.70 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 -3.37 0.00 0.00 -1.00 -3.99 120.51 109.15 2pqe n ALA 12 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2pqe n ALA 12 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.23 0.00 2.01 -1.04 -4.18 115.64 112.22 2pqe s THR 13 Ca 0.00 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 2pqe s THR 13 Cb 0.00 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 2pqe s THR 13 CO 0.00 -0.12 0.23 -0.22 -0.69 0.00 0.00 174.62 173.82 2pqe s LEU 14 N -1.43 4.13 -0.06 4.42 0.20 -1.26 0.18 118.68 124.86 2pqe s LEU 14 Ca -0.10 0.23 -0.18 0.00 0.69 0.00 0.00 54.13 54.77 2pqe s LEU 14 Cb -0.02 -2.23 -0.13 0.00 -0.43 0.00 0.00 46.19 43.39 2pqe s LEU 14 CO 0.05 0.02 0.70 0.40 -0.29 0.00 0.00 176.35 177.24 2pqe h ILE 15 N 5.03 0.64 -1.13 6.68 5.03 -0.20 -3.46 117.51 130.10 2pqe h ILE 15 Ca -0.37 -1.10 0.19 0.00 -0.12 0.00 0.00 64.86 63.46 2pqe h ILE 15 Cb 1.17 1.10 -0.32 0.00 -3.03 0.00 0.00 36.82 35.74 2pqe h ILE 15 CO 0.67 0.18 0.78 -0.75 -0.68 0.00 0.00 178.15 178.35 2pqe s LYS 16 N -3.07 0.10 0.26 2.37 2.36 -1.03 -5.01 119.74 115.72 2pqe s LYS 16 Ca -0.11 0.14 -0.30 0.00 -2.55 0.00 0.00 55.97 53.16 2pqe s LYS 16 Cb 0.00 0.04 -0.09 0.00 -1.05 0.00 0.00 37.83 36.73 2pqe s LYS 16 CO 0.38 -0.02 1.15 0.00 1.55 0.00 0.00 175.35 178.42 2pqe s ALA 17 N 0.50 3.42 -0.27 3.13 0.00 -1.26 -1.64 121.76 125.65 2pqe s ALA 17 Ca 0.00 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 52.77 2pqe s ALA 17 Cb -0.04 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 2pqe s ALA 17 CO -0.13 -0.27 -0.31 -0.89 0.00 0.00 0.00 175.76 174.16 2pqe n ILE 18 N 1.52 1.53 -2.69 0.00 5.41 0.31 -4.88 119.36 120.55 2pqe n ILE 18 Ca 0.01 -0.32 -0.07 0.00 1.00 0.00 0.00 62.75 63.36 2pqe n ILE 18 Cb 0.44 -1.92 0.11 0.00 -0.71 0.00 0.00 39.64 37.56 2pqe n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2pqe n ASP 19 N -4.28 -1.34 0.00 4.38 8.00 0.22 -4.96 116.55 118.57 2pqe n ASP 19 Ca -0.50 -2.46 0.00 0.00 0.71 0.00 0.00 54.79 52.53 2pqe n ASP 19 Cb 0.85 0.75 0.00 0.00 -0.02 0.00 0.00 41.12 42.69 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 -0.62 0.75 0.03 0.44 0.00 -1.26 -3.68 105.19 100.85 2pqe n GLY 20 Ca -0.03 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2pqe n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pqe n ASP 21 N 1.88 0.29 -3.94 1.61 5.75 -1.26 -4.68 116.55 116.21 2pqe n ASP 21 Ca 0.00 -0.05 -0.29 0.00 -0.01 0.00 0.00 54.79 54.45 2pqe n ASP 21 Cb 0.00 -0.14 -0.16 0.00 -1.03 0.00 0.00 41.12 39.79 2pqe n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2pqe s THR 22 N -2.85 1.29 -0.10 2.12 2.01 -1.24 -0.85 115.64 116.02 2pqe s THR 22 Ca 0.17 -0.63 -0.15 0.00 0.31 0.00 0.00 61.69 61.39 2pqe s THR 22 Cb 0.19 -1.36 0.03 0.00 0.01 0.00 0.00 72.50 71.38 2pqe s THR 22 CO 0.57 0.25 0.38 0.54 -0.69 0.00 0.00 174.62 175.67 2pqe s VAL 23 N 1.57 0.02 -0.41 3.82 0.11 0.41 0.11 120.40 126.03 2pqe s VAL 23 Ca 0.02 -0.16 -0.24 0.00 -2.93 0.00 0.00 61.98 58.67 2pqe s VAL 23 Cb -0.14 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.13 2pqe s VAL 23 CO -0.09 -0.09 0.82 -0.75 -3.33 0.00 0.00 175.10 171.67 2pqe s LYS 24 N -0.38 3.60 -0.10 1.54 2.20 -0.65 0.13 119.74 126.06 2pqe s LYS 24 Ca -0.05 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.73 2pqe s LYS 24 Cb -0.03 -3.88 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 2pqe s LYS 24 CO 0.02 -1.02 -0.14 -1.17 -0.36 0.00 0.00 175.35 172.68 2pqe s LEU 25 N 3.33 2.69 -0.68 5.43 0.20 0.47 0.58 118.68 130.70 2pqe s LEU 25 Ca 0.33 -0.30 -0.27 0.00 0.69 0.00 0.00 54.13 54.57 2pqe s LEU 25 Cb -0.12 -1.58 0.02 0.00 -0.43 0.00 0.00 46.19 44.08 2pqe s LEU 25 CO 0.21 0.22 1.35 -0.32 -0.29 0.00 0.00 176.35 177.51 2pqe s MET 26 N 0.04 3.20 -0.13 1.98 1.75 0.49 -1.40 119.30 125.23 2pqe s MET 26 Ca -0.05 0.02 -0.06 0.00 -1.25 0.00 0.00 55.69 54.35 2pqe s MET 26 Cb -0.14 -4.17 -0.04 0.00 2.84 0.00 0.00 34.83 33.32 2pqe s MET 26 CO 0.04 -2.11 0.10 -0.47 -0.65 0.00 0.00 175.02 171.93 2pqe s TYR 27 N 6.01 3.44 -0.12 4.11 5.04 0.33 -2.50 117.35 133.66 2pqe s TYR 27 Ca 0.42 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.43 2pqe s TYR 27 Cb -0.09 -1.94 0.00 0.00 0.35 0.00 0.00 41.96 40.28 2pqe s TYR 27 CO 0.19 0.57 0.00 0.36 -1.34 0.00 0.00 175.55 175.32 2pqe n LYS 28 N 2.33 -2.81 -0.34 4.97 0.00 -1.26 0.11 118.16 121.17 2pqe n LYS 28 Ca -0.19 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 2pqe n LYS 28 Cb 0.54 -4.55 0.00 0.00 -0.00 0.00 0.00 35.03 31.02 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 -0.50 0.79 2.80 2.58 0.00 -1.26 -5.08 105.19 104.52 2pqe n GLY 29 Ca -0.02 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 2pqe n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pqe s GLN 30 N -0.68 0.02 -0.84 1.61 -2.07 0.31 -5.10 119.66 112.91 2pqe s GLN 30 Ca 0.00 0.12 -0.26 0.00 -1.82 0.00 0.00 55.36 53.41 2pqe s GLN 30 Cb 0.00 -0.22 0.04 0.00 -1.09 0.00 0.00 33.01 31.73 2pqe s GLN 30 CO 0.00 -0.12 1.35 0.00 -1.32 0.00 0.00 175.29 175.20 2pqe s ALA 31 N 0.79 2.73 0.15 2.60 0.00 -1.26 0.12 121.76 126.89 2pqe s ALA 31 Ca -0.07 -1.69 0.06 0.00 0.00 0.00 0.00 51.96 50.26 2pqe s ALA 31 Cb -0.10 -4.36 -0.04 0.00 0.00 0.00 0.00 23.12 18.62 2pqe s ALA 31 CO -0.02 -3.42 0.05 0.00 0.00 0.00 0.00 175.76 172.37 2pqe s MET 32 N 5.47 2.63 -0.47 0.00 0.00 -0.49 -4.88 119.30 121.55 2pqe s MET 32 Ca 0.39 -0.94 -0.29 0.00 0.00 0.00 0.00 55.69 54.85 2pqe s MET 32 Cb -0.05 -2.52 0.03 0.00 0.00 0.00 0.00 34.83 32.29 2pqe s MET 32 CO 0.06 0.49 1.16 0.99 0.00 0.00 0.00 175.02 177.71 2pqe s THR 33 N -1.62 4.18 0.16 3.16 2.01 -1.26 -0.40 115.64 121.87 2pqe s THR 33 Ca 0.28 1.21 -0.03 0.00 0.31 0.00 0.00 61.69 63.46 2pqe s THR 33 Cb -0.10 -4.58 -0.05 0.00 0.01 0.00 0.00 72.50 67.77 2pqe s THR 33 CO 0.20 -1.00 0.38 -0.36 -0.69 0.00 0.00 174.62 173.16 2pqe s PHE 34 N 4.52 3.48 -0.02 4.92 0.40 0.34 0.70 117.98 132.31 2pqe s PHE 34 Ca 0.49 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 2pqe s PHE 34 Cb -0.07 -1.96 0.03 0.00 0.51 0.00 0.00 43.02 41.52 2pqe s PHE 34 CO 0.32 0.42 0.01 1.03 0.70 0.00 0.00 175.22 177.70 2pqe s ARG 35 N -2.86 0.11 0.14 0.44 1.81 -0.72 -0.44 118.95 117.43 2pqe s ARG 35 Ca 0.40 0.12 -0.31 0.00 -1.72 0.00 0.00 55.73 54.22 2pqe s ARG 35 Cb -0.12 -0.33 -0.10 0.00 -0.45 0.00 0.00 34.95 33.95 2pqe s ARG 35 CO 0.26 -0.14 1.71 -0.51 -0.68 0.00 0.00 175.30 175.94 2pqe s LEU 36 N 0.94 4.38 0.12 2.53 1.43 -0.03 -0.68 118.68 127.38 2pqe s LEU 36 Ca -0.09 2.70 -0.23 0.00 -1.03 0.00 0.00 54.13 55.48 2pqe s LEU 36 Cb -0.12 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 2pqe s LEU 36 CO -0.02 -0.93 0.69 -0.76 0.23 0.00 0.00 176.35 175.56 2pqe s LEU 37 N 1.97 4.56 -1.88 1.79 1.43 -0.85 -3.87 118.68 121.84 2pqe s LEU 37 Ca 0.75 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 2pqe s LEU 37 Cb -0.45 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.64 2pqe s LEU 37 CO 0.33 0.23 0.00 0.18 0.23 0.00 0.00 176.35 177.32 2pqe n LEU 38 N 1.69 -1.81 -4.09 1.79 4.77 -1.26 -4.82 117.00 113.27 2pqe n LEU 38 Ca -0.07 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 2pqe n LEU 38 Cb 0.50 -2.90 -0.11 0.00 -2.33 0.00 0.00 43.42 38.58 2pqe n LEU 38 CO 0.44 -0.46 -0.38 -0.69 -1.33 0.00 0.00 177.39 174.98 2pqe s VAL 39 N -2.95 0.43 -0.20 4.08 1.01 -1.25 -1.93 120.40 119.58 2pqe s VAL 39 Ca 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 61.98 60.45 2pqe s VAL 39 Cb 0.00 -1.11 0.06 0.00 0.00 0.00 0.00 36.38 35.33 2pqe s VAL 39 CO 0.00 -0.71 0.05 -0.62 0.00 0.00 0.00 175.10 173.82 2pqe s ASP 40 N -2.36 2.94 -0.65 3.32 -1.08 -0.88 -4.48 116.67 113.48 2pqe s ASP 40 Ca 0.00 -0.87 -0.02 0.00 -0.52 0.00 0.00 52.55 51.14 2pqe s ASP 40 Cb -0.01 -0.56 0.17 0.00 -1.46 0.00 0.00 42.92 41.06 2pqe s ASP 40 CO -0.04 -0.33 0.47 -0.89 0.52 0.00 0.00 175.17 174.90 2pqe s THR 41 N 1.89 3.66 0.00 1.71 2.01 -1.26 0.11 115.64 123.76 2pqe s THR 41 Ca 0.01 -3.16 0.00 0.00 0.31 0.00 0.00 61.69 58.84 2pqe s THR 41 Cb -0.17 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 68.96 2pqe s THR 41 CO -0.11 -0.90 0.00 0.00 -0.69 0.00 0.00 174.62 172.92 2pqe n ALA 42 N 3.24 0.00 -2.37 7.40 0.00 -1.26 -4.06 120.51 123.45 2pqe n ALA 42 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 2pqe n ALA 42 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.81 2pqe n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2pqe n GLU 43 N 0.00 -2.40 -1.56 0.00 2.13 -1.26 -4.75 120.64 112.80 2pqe n GLU 43 Ca 0.00 0.39 -0.13 0.00 0.66 0.00 0.00 57.16 58.08 2pqe n GLU 43 Cb 0.00 -4.93 -0.08 0.00 0.27 0.00 0.00 31.44 26.70 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 -2.97 0.00 -1.07 6.31 -2.24 -1.26 -4.68 114.28 108.37 2pqe n THR 44 Ca -0.09 -0.46 0.02 0.00 -2.27 0.00 0.00 64.05 61.24 2pqe n THR 44 Cb 0.55 -1.94 0.28 0.00 -2.10 0.00 0.00 70.33 67.12 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 8.67 3.24 -0.00 -0.78 -0.00 -1.26 -4.34 118.16 123.69 2pqe n LYS 45 Ca 0.47 -3.01 0.00 0.00 -0.00 0.00 0.00 58.31 55.77 2pqe n LYS 45 Cb 0.43 -2.01 -0.00 0.00 -0.00 0.00 0.00 35.03 33.44 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 -0.37 0.00 -2.39 5.58 8.25 -1.26 -5.08 115.22 119.96 2pqe n HIS 46 Ca 0.30 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.75 2pqe n HIS 46 Cb 1.11 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.20 2pqe n HIS 46 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2pqe n THR 47 N -1.58 -6.46 -0.13 1.59 -1.04 -1.26 -5.02 114.28 100.38 2pqe n THR 47 Ca -0.00 -0.05 -0.27 0.00 -2.04 0.00 0.00 64.05 61.68 2pqe n THR 47 Cb 0.08 -5.55 -0.10 0.00 -1.82 0.00 0.00 70.33 62.94 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 -1.31 0.58 0.00 -2.82 4.81 -1.26 -5.02 118.16 113.15 2pqe n LYS 48 Ca 0.01 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 2pqe n LYS 48 Cb 0.47 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.97 2pqe n LYS 48 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2pqe n LYS 49 N -4.30 0.00 0.00 1.64 -0.00 -1.26 -5.01 118.16 109.23 2pqe n LYS 49 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.83 2pqe n LYS 49 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.86 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 -0.45 1.91 1.30 2.58 0.00 -1.26 -5.01 105.19 104.27 2pqe n GLY 50 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.09 0.03 0.18 1.61 0.31 -1.26 -2.48 118.33 116.63 2pqe n VAL 51 Ca 0.00 -0.50 0.04 0.00 -0.01 0.00 0.00 64.34 63.88 2pqe n VAL 51 Cb 0.00 0.73 0.34 0.00 -0.91 0.00 0.00 33.84 34.00 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 0.49 0.00 0.00 5.55 4.11 -1.98 -3.37 114.58 119.38 2pqe h GLU 52 Ca -0.42 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.82 2pqe h GLU 52 Cb 1.59 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.70 2pqe h GLU 52 CO -0.12 0.40 -0.29 0.36 0.07 0.00 0.00 179.01 179.42 2pqe n LYS 53 N -3.70 1.21 -3.08 1.06 -0.00 -1.26 -5.01 118.16 107.38 2pqe n LYS 53 Ca -0.01 -1.50 -0.14 0.00 -0.00 0.00 0.00 58.31 56.66 2pqe n LYS 53 Cb 0.49 0.15 0.06 0.00 -0.00 0.00 0.00 35.03 35.73 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 -0.97 -2.18 -0.08 5.58 4.01 -1.26 -4.70 117.16 117.55 2pqe n TYR 54 Ca -0.10 0.77 -0.23 0.00 -0.16 0.00 0.00 57.90 58.19 2pqe n TYR 54 Cb 0.85 -4.03 -0.12 0.00 -0.31 0.00 0.00 39.34 35.73 2pqe n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pqe n GLY 55 N -1.25 -0.69 0.31 2.72 0.00 -1.26 -3.07 105.19 101.96 2pqe n GLY 55 Ca -0.08 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.92 2pqe n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqe h ALA 56 N -0.38 1.57 0.00 4.61 0.00 -1.86 -1.97 119.26 121.23 2pqe h ALA 56 Ca -0.43 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 2pqe h ALA 56 Cb 1.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2pqe h ALA 56 CO -0.15 0.37 -0.78 1.49 0.00 0.00 0.00 179.25 180.17 2pqe h GLU 57 N 0.67 0.00 -0.36 0.00 4.81 -1.85 -3.22 114.58 114.63 2pqe h GLU 57 Ca 0.17 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2pqe h GLU 57 Cb 0.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2pqe h GLU 57 CO -0.03 0.72 0.23 0.00 -0.73 0.00 0.00 179.01 179.20 2pqe h ALA 58 N 1.26 0.46 -0.32 2.92 0.00 -1.28 -1.67 119.26 120.62 2pqe h ALA 58 Ca -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2pqe h ALA 58 Cb 1.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2pqe h ALA 58 CO 0.09 -0.10 -0.23 1.03 0.00 0.00 0.00 179.25 180.04 2pqe h SER 59 N 0.47 0.64 -0.34 0.00 0.87 -1.61 -2.69 113.55 110.89 2pqe h SER 59 Ca 0.14 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 2pqe h SER 59 Cb -0.03 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2pqe h SER 59 CO -0.04 0.86 0.14 0.00 -0.53 0.00 0.00 176.83 177.25 2pqe h ALA 60 N 1.19 1.49 -0.06 6.23 0.00 -1.45 0.93 119.26 127.59 2pqe h ALA 60 Ca 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2pqe h ALA 60 Cb 0.70 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2pqe h ALA 60 CO 0.05 0.39 -0.16 0.35 0.00 0.00 0.00 179.25 179.88 2pqe h PHE 61 N 0.57 0.28 -0.04 0.00 3.04 -1.06 -2.25 116.94 117.49 2pqe h PHE 61 Ca 0.14 -0.11 -0.10 0.00 3.98 0.00 0.00 57.97 61.88 2pqe h PHE 61 Cb 0.15 -0.05 0.01 0.00 2.56 0.00 0.00 35.95 38.62 2pqe h PHE 61 CO 0.01 0.76 -0.38 1.15 -2.02 0.00 0.00 178.31 177.84 2pqe h THR 62 N -0.28 1.45 -0.84 4.41 2.02 -1.29 -1.72 112.91 116.66 2pqe h THR 62 Ca -0.00 -1.85 0.06 0.00 0.77 0.00 0.00 66.41 65.39 2pqe h THR 62 Cb 0.76 2.46 -0.05 0.00 -1.74 0.00 0.00 68.15 69.58 2pqe h THR 62 CO 0.03 0.53 0.55 0.50 0.37 0.00 0.00 175.52 177.50 2pqe h LYS 63 N -0.20 0.93 0.20 6.66 3.64 0.79 0.00 116.57 128.59 2pqe h LYS 63 Ca -0.03 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2pqe h LYS 63 Cb 1.06 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2pqe h LYS 63 CO 0.08 0.61 -0.10 0.87 -2.27 0.00 0.00 179.45 178.64 2pqe h LYS 64 N 0.96 -0.26 -0.73 1.90 6.56 -1.45 -1.62 116.57 121.93 2pqe h LYS 64 Ca 0.36 0.02 0.21 0.00 -1.06 0.00 0.00 60.65 60.18 2pqe h LYS 64 Cb 0.18 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 31.87 2pqe h LYS 64 CO -0.13 -0.17 0.58 1.98 -2.06 0.00 0.00 179.45 179.66 2pqe h MET 65 N -1.07 0.00 0.07 3.15 4.05 -1.25 0.23 114.93 120.11 2pqe h MET 65 Ca -0.03 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.15 2pqe h MET 65 Cb 0.21 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 2pqe h MET 65 CO 0.05 0.00 -1.26 -0.39 0.23 0.00 0.00 176.91 175.53 2pqe h VAL 66 N 0.00 1.04 0.00 -5.77 -1.51 -1.07 -2.00 116.25 106.94 2pqe h VAL 66 Ca 0.35 -2.32 -0.02 0.00 -1.23 0.00 0.00 66.70 63.48 2pqe h VAL 66 Cb 1.50 2.62 -0.00 0.00 -2.13 0.00 0.00 31.29 33.28 2pqe h VAL 66 CO -0.00 0.59 -0.07 -0.33 -1.23 0.00 0.00 177.57 176.52 2pqe h GLU 67 N -0.56 0.00 0.03 5.19 4.39 -0.43 -2.83 114.58 120.37 2pqe h GLU 67 Ca -0.30 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.05 2pqe h GLU 67 Cb 1.56 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.16 2pqe h GLU 67 CO -0.03 0.07 -2.13 -1.71 -1.16 0.00 0.00 179.01 174.06 2pqe n ASN 68 N -3.36 1.11 0.01 1.42 2.85 0.73 -4.41 115.26 113.61 2pqe n ASN 68 Ca -0.01 0.14 -0.10 0.00 -0.11 0.00 0.00 54.58 54.49 2pqe n ASN 68 Cb 0.24 0.01 -0.05 0.00 1.24 0.00 0.00 39.78 41.22 2pqe n ASN 68 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pqe h ALA 69 N 0.60 0.02 0.00 5.20 0.00 -1.12 -3.46 119.26 120.49 2pqe h ALA 69 Ca -0.45 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2pqe h ALA 69 Cb 2.06 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.98 2pqe h ALA 69 CO 0.03 -0.52 0.00 1.63 0.00 0.00 0.00 179.25 180.39 2pqe n LYS 70 N -5.19 0.00 -4.10 0.00 4.76 -1.10 -4.78 118.16 107.76 2pqe n LYS 70 Ca -0.04 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.07 2pqe n LYS 70 Cb 0.11 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.14 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 2.81 0.01 1.97 2.20 -1.26 -4.74 119.74 120.73 2pqe s LYS 71 Ca 0.00 -0.80 0.08 0.00 -0.36 0.00 0.00 55.97 54.89 2pqe s LYS 71 Cb 0.00 -2.49 -0.02 0.00 -1.51 0.00 0.00 37.83 33.81 2pqe s LYS 71 CO 0.00 -0.23 -0.23 0.42 -0.36 0.00 0.00 175.35 174.95 2pqe s ILE 72 N 1.32 1.84 0.00 5.43 1.09 -1.26 0.36 121.20 129.98 2pqe s ILE 72 Ca 0.04 -1.11 0.04 0.00 -1.10 0.00 0.00 60.65 58.53 2pqe s ILE 72 Cb -0.13 -1.55 -0.01 0.00 -1.06 0.00 0.00 42.46 39.70 2pqe s ILE 72 CO -0.12 0.41 -0.13 -1.61 -0.10 0.00 0.00 174.94 173.39 2pqe s GLU 73 N -0.83 1.01 0.10 2.79 0.41 0.24 -2.36 118.70 120.06 2pqe s GLU 73 Ca 0.09 -0.52 0.08 0.00 -0.41 0.00 0.00 54.97 54.21 2pqe s GLU 73 Cb -0.09 -0.98 -0.04 0.00 -1.78 0.00 0.00 34.13 31.24 2pqe s GLU 73 CO 0.00 0.26 -0.18 0.14 -0.49 0.00 0.00 175.26 175.00 2pqe s VAL 74 N -0.43 2.86 -0.15 2.63 -7.23 -0.98 0.07 120.40 117.17 2pqe s VAL 74 Ca 0.04 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 58.77 2pqe s VAL 74 Cb -0.06 -2.29 0.04 0.00 0.56 0.00 0.00 36.38 34.63 2pqe s VAL 74 CO -0.00 0.15 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.20 2pqe s GLU 75 N -2.01 1.20 -0.12 4.82 2.12 -0.94 -0.08 118.70 123.69 2pqe s GLU 75 Ca 0.17 -0.36 -0.15 0.00 0.36 0.00 0.00 54.97 54.99 2pqe s GLU 75 Cb -0.11 -1.79 -0.05 0.00 0.26 0.00 0.00 34.13 32.45 2pqe s GLU 75 CO 0.09 -0.42 0.36 -0.06 -0.54 0.00 0.00 175.26 174.70 2pqe s PHE 76 N 1.73 3.53 0.62 5.30 0.08 -1.26 -2.22 117.98 125.77 2pqe s PHE 76 Ca 0.02 0.75 0.06 0.00 0.12 0.00 0.00 56.93 57.88 2pqe s PHE 76 Cb -0.15 -2.37 0.10 0.00 -0.57 0.00 0.00 43.02 40.03 2pqe s PHE 76 CO -0.07 0.32 0.86 -0.51 -0.10 0.00 0.00 175.22 175.71 2pqe s ASP 77 N 0.15 4.85 0.11 1.36 1.11 -1.26 -4.99 116.67 118.01 2pqe s ASP 77 Ca 0.20 -0.68 0.20 0.00 0.18 0.00 0.00 52.55 52.46 2pqe s ASP 77 Cb -0.14 0.17 0.83 0.00 1.07 0.00 0.00 42.92 44.85 2pqe s ASP 77 CO 0.07 -1.51 1.62 0.29 1.18 0.00 0.00 175.17 176.83 2pqe n LYS 78 N -2.44 0.09 0.00 8.23 4.01 -1.26 -4.62 118.16 122.17 2pqe n LYS 78 Ca 0.15 0.28 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 2pqe n LYS 78 Cb 0.61 -1.65 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 2pqe n LYS 78 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2pqe n GLY 79 N 0.26 -2.65 3.74 0.72 0.00 -1.26 -4.69 105.19 101.30 2pqe n GLY 79 Ca 0.04 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 3.01 -0.05 1.61 0.74 -1.26 -4.73 119.66 118.98 2pqe s GLN 80 Ca 0.00 -0.45 0.17 0.00 0.05 0.00 0.00 55.36 55.13 2pqe s GLN 80 Cb 0.00 -2.83 -0.22 0.00 1.10 0.00 0.00 33.01 31.07 2pqe s GLN 80 CO 0.00 0.68 0.51 -2.13 -0.55 0.00 0.00 175.29 173.79 2pqe n ARG 81 N 1.65 0.65 -3.58 1.67 0.63 -1.26 -4.56 116.66 111.85 2pqe n ARG 81 Ca -0.16 0.10 -0.21 0.00 -0.92 0.00 0.00 57.85 56.66 2pqe n ARG 81 Cb 0.53 -1.67 -0.15 0.00 0.45 0.00 0.00 32.46 31.62 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 -2.81 -0.21 -1.00 5.15 -4.23 -1.25 0.11 115.64 111.39 2pqe s THR 82 Ca -0.06 -0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.32 2pqe s THR 82 Cb 0.08 -0.54 -0.08 0.00 1.34 0.00 0.00 72.50 73.30 2pqe s THR 82 CO 0.83 -0.15 2.17 -0.67 -0.54 0.00 0.00 174.62 176.26 2pqe n ASP 83 N 5.30 4.70 -2.32 3.99 -0.08 -1.26 -4.41 116.55 122.46 2pqe n ASP 83 Ca -0.06 -2.47 -0.08 0.00 -1.51 0.00 0.00 54.79 50.67 2pqe n ASP 83 Cb 0.49 -1.19 -0.01 0.00 2.34 0.00 0.00 41.12 42.76 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 4.95 -2.37 -0.43 -0.67 4.01 -1.26 -4.73 118.16 117.66 2pqe n LYS 84 Ca 0.50 0.38 0.03 0.00 -0.51 0.00 0.00 58.31 58.71 2pqe n LYS 84 Cb 0.23 -4.89 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 -2.87 0.00 -1.95 2.13 4.01 -1.26 -4.98 117.16 112.23 2pqe n TYR 85 Ca -0.09 -0.32 -0.12 0.00 -0.16 0.00 0.00 57.90 57.21 2pqe n TYR 85 Cb 0.53 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 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 -0.38 0.23 4.02 2.72 0.00 -1.26 -4.93 105.19 105.59 2pqe n GLY 86 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.11 2.53 -0.92 1.61 0.52 -1.26 -4.79 118.95 112.53 2pqe s ARG 87 Ca 0.00 -1.47 -0.05 0.00 -0.52 0.00 0.00 55.73 53.69 2pqe s ARG 87 Cb 0.00 -2.70 0.23 0.00 0.52 0.00 0.00 34.95 33.00 2pqe s ARG 87 CO 0.00 -0.61 0.84 0.20 0.02 0.00 0.00 175.30 175.75 2pqe s GLY 88 N -4.53 3.02 0.07 -3.53 0.00 0.22 -3.82 107.32 98.75 2pqe s GLY 88 Ca 0.59 -3.73 -0.31 0.00 0.00 0.00 0.00 44.72 41.27 2pqe s GLY 88 CO 0.36 1.23 1.89 1.04 0.00 0.00 0.00 173.10 177.63 2pqe n LEU 89 N 2.72 4.02 0.00 0.66 4.77 0.29 -1.76 117.00 127.71 2pqe n LEU 89 Ca 0.20 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 2pqe n LEU 89 Cb 0.39 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 2pqe n LEU 89 CO 0.39 0.16 0.00 0.00 -1.33 0.00 0.00 177.39 176.60 2pqe n ALA 90 N 6.42 0.00 -1.90 -1.18 0.00 0.15 -4.66 120.51 119.33 2pqe n ALA 90 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 2pqe n ALA 90 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.17 0.00 2.02 -0.94 -2.01 117.35 118.07 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 -2.82 -0.05 0.00 -0.40 0.00 0.00 41.96 38.69 2pqe s TYR 91 CO 0.00 0.39 0.14 0.42 -1.57 0.00 0.00 175.55 174.93 2pqe s ILE 92 N -1.35 5.45 -0.10 2.71 -1.09 -1.26 -2.23 121.20 123.33 2pqe s ILE 92 Ca 0.42 0.21 0.01 0.00 -2.23 0.00 0.00 60.65 59.05 2pqe s ILE 92 Cb -0.21 -3.45 0.02 0.00 -1.58 0.00 0.00 42.46 37.24 2pqe s ILE 92 CO 0.26 0.51 -0.11 -0.31 -1.23 0.00 0.00 174.94 174.06 2pqe s TYR 93 N -0.18 1.59 -0.21 3.97 1.51 0.11 -1.45 117.35 122.70 2pqe s TYR 93 Ca 0.11 -0.73 -0.06 0.00 -1.01 0.00 0.00 57.07 55.38 2pqe s TYR 93 Cb -0.11 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 2pqe s TYR 93 CO 0.00 -0.44 0.02 0.00 -1.11 0.00 0.00 175.55 174.02 2pqe s ALA 94 N 1.24 3.09 -1.73 3.71 0.00 0.23 0.81 121.76 129.11 2pqe s ALA 94 Ca -0.03 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 2pqe s ALA 94 Cb -0.14 -1.84 0.13 0.00 0.00 0.00 0.00 23.12 21.27 2pqe s ALA 94 CO -0.04 -0.17 0.37 -3.47 0.00 0.00 0.00 175.76 172.46 2pqe n ASP 95 N 4.28 -0.79 -0.20 0.00 2.03 0.16 0.16 116.55 122.18 2pqe n ASP 95 Ca -0.17 -1.24 -0.03 0.00 0.52 0.00 0.00 54.79 53.88 2pqe n ASP 95 Cb 0.52 -1.73 -0.01 0.00 -0.72 0.00 0.00 41.12 39.17 2pqe n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pqe n GLY 96 N -1.71 0.58 3.27 0.27 0.00 -1.26 -5.04 105.19 101.30 2pqe n GLY 96 Ca -0.07 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.22 1.92 -0.28 1.61 2.47 0.41 -5.10 119.74 118.55 2pqe s LYS 97 Ca 0.00 -0.85 -0.29 0.00 -1.56 0.00 0.00 55.97 53.27 2pqe s LYS 97 Cb 0.00 -1.86 0.01 0.00 -1.46 0.00 0.00 37.83 34.52 2pqe s LYS 97 CO 0.00 0.51 1.12 -1.64 0.16 0.00 0.00 175.35 175.50 2pqe s MET 98 N -0.56 4.10 0.08 4.03 -1.94 -1.26 0.74 119.30 124.49 2pqe s MET 98 Ca 0.09 1.21 -0.15 0.00 -1.71 0.00 0.00 55.69 55.13 2pqe s MET 98 Cb -0.09 -3.74 -0.16 0.00 2.01 0.00 0.00 34.83 32.85 2pqe s MET 98 CO -0.01 -0.86 1.28 0.28 -0.01 0.00 0.00 175.02 175.70 2pqe h VAL 99 N 5.69 1.32 -0.00 -6.03 2.07 -1.62 -1.88 116.25 115.79 2pqe h VAL 99 Ca -0.22 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.46 2pqe h VAL 99 Cb 1.07 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2pqe h VAL 99 CO 1.02 0.57 0.00 -0.55 0.02 0.00 0.00 177.57 178.63 2pqe h ASN 100 N 0.34 0.01 -0.48 0.57 -1.07 -1.92 -0.24 115.58 112.79 2pqe h ASN 100 Ca -0.03 -0.02 -0.04 0.00 0.07 0.00 0.00 56.30 56.28 2pqe h ASN 100 Cb 1.23 -0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.45 2pqe h ASN 100 CO 0.12 0.02 0.14 -0.33 0.07 0.00 0.00 177.43 177.46 2pqe h GLU 101 N -0.01 0.75 -0.52 4.14 4.39 -1.93 -0.38 114.58 121.02 2pqe h GLU 101 Ca 0.00 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.56 2pqe h GLU 101 Cb 0.02 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2pqe h GLU 101 CO -0.00 0.71 0.31 0.00 -1.16 0.00 0.00 179.01 178.87 2pqe h ALA 102 N 1.00 0.67 -0.14 3.43 0.00 -1.15 0.75 119.26 123.82 2pqe h ALA 102 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2pqe h ALA 102 Cb 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2pqe h ALA 102 CO -0.00 0.02 -0.04 -0.07 0.00 0.00 0.00 179.25 179.16 2pqe h LEU 103 N 0.62 0.27 -0.57 0.00 3.38 -0.88 -0.85 115.31 117.27 2pqe h LEU 103 Ca 0.21 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2pqe h LEU 103 Cb 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2pqe h LEU 103 CO -0.10 0.58 0.02 0.58 0.09 0.00 0.00 178.44 179.62 2pqe h VAL 104 N -0.05 1.26 -0.15 1.22 2.07 -0.85 1.07 116.25 120.82 2pqe h VAL 104 Ca 0.03 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 2pqe h VAL 104 Cb 0.47 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2pqe h VAL 104 CO 0.01 0.39 -0.32 -0.09 0.02 0.00 0.00 177.57 177.59 2pqe h ARG 105 N 0.88 0.29 0.00 1.57 1.12 0.52 -2.96 114.38 115.80 2pqe h ARG 105 Ca 0.16 -0.11 -0.22 0.00 -1.11 0.00 0.00 59.98 58.70 2pqe h ARG 105 Cb 0.52 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.42 2pqe h ARG 105 CO 0.02 0.58 -1.35 1.96 -3.11 0.00 0.00 179.97 178.08 2pqe h GLN 106 N 0.25 0.00 0.00 0.20 7.50 -0.90 -3.44 115.11 118.73 2pqe h GLN 106 Ca 0.03 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.18 2pqe h GLN 106 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.22 2pqe h GLN 106 CO 0.05 0.51 0.00 0.41 -1.50 0.00 0.00 178.83 178.30 2pqe n GLY 107 N 1.43 0.77 0.38 3.46 0.00 0.28 -4.34 105.19 107.17 2pqe n GLY 107 Ca -0.09 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 1.18 -4.66 0.99 7.99 0.30 -2.50 117.00 120.29 2pqe n LEU 108 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.76 2pqe n LEU 108 Cb 0.00 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.24 2pqe n LEU 108 CO 0.00 0.14 -0.32 0.00 -1.51 0.00 0.00 177.39 175.69 2pqe s ALA 109 N -1.65 3.19 0.00 -1.18 0.00 -1.21 -4.49 121.76 116.42 2pqe s ALA 109 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2pqe s ALA 109 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2pqe s ALA 109 CO 0.00 0.33 0.00 1.63 0.00 0.00 0.00 175.76 177.72 2pqe n LYS 110 N -0.67 1.70 -4.03 0.00 4.76 0.30 -4.14 118.16 116.07 2pqe n LYS 110 Ca -0.08 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.05 2pqe n LYS 110 Cb 0.58 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.62 2pqe n LYS 110 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2pqe s VAL 111 N 0.71 2.20 1.08 -0.18 1.01 -1.26 -2.08 120.40 121.89 2pqe s VAL 111 Ca 0.00 -2.03 -0.18 0.00 0.00 0.00 0.00 61.98 59.77 2pqe s VAL 111 Cb 0.00 -2.49 0.27 0.00 0.00 0.00 0.00 36.38 34.15 2pqe s VAL 111 CO 0.00 -0.36 1.01 0.00 0.00 0.00 0.00 175.10 175.75 2pqe n ALA 112 N 4.34 -2.89 -3.77 5.51 0.00 -0.82 -4.88 120.51 118.01 2pqe n ALA 112 Ca -0.04 -1.48 -0.29 0.00 0.00 0.00 0.00 53.44 51.63 2pqe n ALA 112 Cb 0.42 -0.10 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 2pqe n ALA 112 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2pqe s TYR 113 N -2.89 1.67 -0.39 0.00 1.13 -1.26 -4.76 117.35 110.85 2pqe s TYR 113 Ca 0.64 -1.55 -0.15 0.00 -1.41 0.00 0.00 57.07 54.61 2pqe s TYR 113 Cb -0.06 -1.56 0.01 0.00 -1.10 0.00 0.00 41.96 39.26 2pqe s TYR 113 CO 0.49 -0.80 0.31 0.08 -2.51 0.00 0.00 175.55 173.11 2pqe s VAL 114 N 1.63 5.24 -0.44 -3.49 1.01 -1.26 -4.94 120.40 118.16 2pqe s VAL 114 Ca 0.05 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2pqe s VAL 114 Cb -0.17 -3.89 0.61 0.00 0.00 0.00 0.00 36.38 32.93 2pqe s VAL 114 CO -0.18 -0.25 1.84 0.00 0.00 0.00 0.00 175.10 176.50 2pqe n TYR 115 N 5.21 2.72 -0.08 5.22 0.18 -1.26 -4.30 117.16 124.85 2pqe n TYR 115 Ca -0.11 -1.93 -0.08 0.00 1.88 0.00 0.00 57.90 57.66 2pqe n TYR 115 Cb 0.48 -0.91 -0.11 0.00 -0.38 0.00 0.00 39.34 38.42 2pqe n TYR 115 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 2pqe n LYS 116 N -1.12 1.47 0.00 -3.48 3.00 -1.26 -5.00 118.16 111.77 2pqe n LYS 116 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 2pqe n LYS 116 Cb 1.45 -1.38 0.00 0.00 0.00 0.00 0.00 35.03 35.10 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 2.13 0.36 3.58 3.14 0.00 -1.26 -4.76 105.19 108.37 2pqe n GLY 117 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2pqe n GLY 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pqe s ASN 118 N 0.00 5.35 -0.25 1.61 2.47 -1.26 -4.07 114.94 118.79 2pqe s ASN 118 Ca 0.00 -1.61 0.21 0.00 0.42 0.00 0.00 52.86 51.88 2pqe s ASN 118 Cb 0.00 -2.58 0.50 0.00 -1.45 0.00 0.00 41.25 37.71 2pqe s ASN 118 CO 0.00 -2.71 1.12 0.59 -3.72 0.00 0.00 177.10 172.39 2pqe n ASN 119 N 13.30 1.94 -0.06 -4.21 4.13 -1.26 -4.58 115.26 124.51 2pqe n ASN 119 Ca 0.44 -2.25 -0.05 0.00 1.68 0.00 0.00 54.58 54.40 2pqe n ASN 119 Cb 0.47 -0.45 -0.02 0.00 -1.54 0.00 0.00 39.78 38.24 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2pqe n THR 120 N -0.54 1.14 1.15 3.41 -1.04 -1.26 -4.42 114.28 112.72 2pqe n THR 120 Ca 0.12 0.25 0.12 0.00 -2.04 0.00 0.00 64.05 62.50 2pqe n THR 120 Cb 0.84 -2.19 0.62 0.00 -1.82 0.00 0.00 70.33 67.79 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 -4.08 0.00 -0.26 -1.42 8.25 -1.26 -3.70 115.22 112.75 2pqe n HIS 121 Ca -0.08 0.00 0.33 0.00 -0.26 0.00 0.00 57.72 57.71 2pqe n HIS 121 Cb 0.29 -0.30 0.73 0.00 1.12 0.00 0.00 29.99 31.82 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 -0.36 -0.41 4.22 -1.88 0.30 114.58 116.45 2pqe h GLU 122 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 2pqe h GLU 122 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2pqe h GLU 122 CO 0.00 0.00 0.12 1.96 -2.18 0.00 0.00 179.01 178.91 2pqe h GLN 123 N 0.00 0.55 -0.19 1.92 1.08 -1.87 -2.38 115.11 114.22 2pqe h GLN 123 Ca 0.51 -0.11 -0.13 0.00 -1.45 0.00 0.00 58.65 57.47 2pqe h GLN 123 Cb 2.19 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 29.53 2pqe h GLN 123 CO -0.01 0.56 -0.46 -0.07 -0.95 0.00 0.00 178.83 177.91 2pqe h LEU 124 N 0.43 0.50 -1.10 1.46 3.38 -0.73 -2.54 115.31 116.70 2pqe h LEU 124 Ca 0.12 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2pqe h LEU 124 Cb 0.23 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2pqe h LEU 124 CO -0.01 0.89 0.61 -0.07 0.09 0.00 0.00 178.44 179.95 2pqe h LEU 125 N 0.38 1.05 -0.24 1.67 -0.00 -1.16 -1.41 115.31 115.60 2pqe h LEU 125 Ca 0.02 -0.03 -0.21 0.00 -0.00 0.00 0.00 57.88 57.66 2pqe h LEU 125 Cb 0.95 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2pqe h LEU 125 CO 0.08 0.76 -0.79 0.03 -0.00 0.00 0.00 178.44 178.52 2pqe h ARG 126 N 1.24 0.62 0.10 1.13 2.47 -1.31 -1.86 114.38 116.76 2pqe h ARG 126 Ca 0.33 -0.53 -0.00 0.00 -1.26 0.00 0.00 59.98 58.52 2pqe h ARG 126 Cb -0.14 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2pqe h ARG 126 CO -0.07 1.15 -0.05 0.87 0.56 0.00 0.00 179.97 182.43 2pqe h LYS 127 N 0.41 -0.13 -0.47 0.04 6.56 -1.01 0.33 116.57 122.30 2pqe h LYS 127 Ca -0.05 0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.44 2pqe h LYS 127 Cb 1.41 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 33.08 2pqe h LYS 127 CO 0.15 -0.05 -0.13 0.66 -2.06 0.00 0.00 179.45 178.01 2pqe h SER 128 N -0.17 0.89 -0.45 0.86 4.64 -1.34 -2.69 113.55 115.29 2pqe h SER 128 Ca -0.01 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 60.94 2pqe h SER 128 Cb 0.14 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 2pqe h SER 128 CO 0.02 1.02 -0.00 -0.08 -0.87 0.00 0.00 176.83 176.92 2pqe h GLU 129 N 0.79 0.79 -0.40 4.77 4.81 -1.13 -2.49 114.58 121.72 2pqe h GLU 129 Ca 0.12 -0.25 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2pqe h GLU 129 Cb 0.66 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2pqe h GLU 129 CO 0.05 0.86 0.21 0.00 -0.73 0.00 0.00 179.01 179.40 2pqe h ALA 130 N 0.91 0.49 -0.79 2.92 0.00 -0.24 0.59 119.26 123.15 2pqe h ALA 130 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2pqe h ALA 130 Cb 0.50 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2pqe h ALA 130 CO 0.02 -0.14 0.47 1.96 0.00 0.00 0.00 179.25 181.56 2pqe h GLN 131 N 0.43 1.06 0.02 0.00 1.08 -1.40 -0.99 115.11 115.32 2pqe h GLN 131 Ca 0.16 -0.09 -0.22 0.00 -1.45 0.00 0.00 58.65 57.05 2pqe h GLN 131 Cb 0.05 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 2pqe h GLN 131 CO -0.10 0.75 -0.96 0.00 -0.95 0.00 0.00 178.83 177.57 2pqe h ALA 132 N 1.43 0.40 0.09 3.87 0.00 -0.93 -2.07 119.26 122.06 2pqe h ALA 132 Ca 0.28 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2pqe h ALA 132 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2pqe h ALA 132 CO -0.05 0.91 -0.04 -0.22 0.00 0.00 0.00 179.25 179.85 2pqe h LYS 133 N 0.13 -0.12 -0.04 0.00 3.11 0.67 0.83 116.57 121.15 2pqe h LYS 133 Ca -0.07 0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.68 2pqe h LYS 133 Cb 1.62 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.86 2pqe h LYS 133 CO 0.15 0.17 -0.47 0.87 -2.81 0.00 0.00 179.45 177.37 2pqe h LYS 134 N -0.41 0.09 0.00 1.90 6.56 -1.30 -2.86 116.57 120.56 2pqe h LYS 134 Ca -0.01 -0.05 -0.12 0.00 -1.06 0.00 0.00 60.65 59.41 2pqe h LYS 134 Cb 0.35 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.99 2pqe h LYS 134 CO 0.02 0.54 -0.68 0.93 -2.06 0.00 0.00 179.45 178.20 2pqe h GLU 135 N 0.07 0.00 -5.83 3.15 4.39 -1.27 -3.48 114.58 111.61 2pqe h GLU 135 Ca 0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.34 2pqe h GLU 135 Cb 0.86 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 29.63 2pqe h GLU 135 CO 0.06 0.52 -0.80 1.63 -1.16 0.00 0.00 179.01 179.26 2pqe n LYS 136 N -3.19 -5.82 0.00 2.33 4.76 0.29 -4.96 118.16 111.58 2pqe n LYS 136 Ca 0.00 0.75 0.00 0.00 -2.87 0.00 0.00 58.31 56.19 2pqe n LYS 136 Cb 0.77 -5.57 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 -4.18 0.00 0.00 -0.35 4.77 -1.14 -4.28 117.00 111.83 2pqe n LEU 137 Ca -0.29 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2pqe n LEU 137 Cb 0.67 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2pqe n LEU 137 CO 0.64 -0.10 0.00 0.59 -1.33 0.00 0.00 177.39 177.19 2pqe n ASN 138 N -0.87 0.00 -0.35 -1.43 3.02 -1.26 -4.67 115.26 109.71 2pqe n ASN 138 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 2pqe n ASN 138 Cb 0.00 0.00 0.38 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.59 -0.86 2.41 3.07 -1.78 0.44 117.51 121.38 2pqe h ILE 139 Ca 0.00 -0.21 -0.44 0.00 1.55 0.00 0.00 64.86 65.76 2pqe h ILE 139 Cb 0.00 -0.09 -0.26 0.00 -0.27 0.00 0.00 36.82 36.20 2pqe h ILE 139 CO 0.00 0.11 0.56 0.79 -1.05 0.00 0.00 178.15 178.56 2pqe n TRP 140 N -4.83 2.67 -1.55 0.16 5.03 -1.26 -4.30 117.44 113.37 2pqe n TRP 140 Ca 0.26 -1.64 -0.05 0.00 3.03 0.00 0.00 57.50 59.09 2pqe n TRP 140 Cb 0.71 -0.85 0.18 0.00 -1.03 0.00 0.00 31.31 30.32 2pqe n TRP 140 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2pqe n SER 141 N -0.89 2.72 -1.22 -0.99 2.88 0.16 -4.12 113.62 112.16 2pqe n SER 141 Ca 0.52 -3.82 -0.02 0.00 -1.33 0.00 0.00 58.87 54.22 2pqe n SER 141 Cb 1.52 -0.60 -0.03 0.00 -0.75 0.00 0.00 64.21 64.35 2pqe n SER 141 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2pqe n GLU 142 N -1.08 0.00 -4.32 -1.46 -0.00 -1.26 -4.98 120.64 107.54 2pqe n GLU 142 Ca 0.33 -1.46 -0.21 0.00 -0.00 0.00 0.00 57.16 55.82 2pqe n GLU 142 Cb 0.95 0.24 -0.08 0.00 -0.00 0.00 0.00 31.44 32.55 2pqe n GLU 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2pqe s ASP 143 N -1.46 1.89 0.34 -1.84 1.11 -1.26 -5.17 116.67 110.29 2pqe s ASP 143 Ca 0.16 -1.77 0.09 0.00 0.18 0.00 0.00 52.55 51.21 2pqe s ASP 143 Cb 0.18 0.57 -0.05 0.00 1.07 0.00 0.00 42.92 44.69 2pqe s ASP 143 CO -0.08 -1.06 0.05 0.20 1.18 0.00 0.00 175.17 175.46 2pqe s ASN 144 N -3.41 4.34 0.58 0.27 0.01 -1.26 -5.13 114.94 110.33 2pqe s ASN 144 Ca 0.38 -0.91 -0.09 0.00 -0.71 0.00 0.00 52.86 51.53 2pqe s ASN 144 Cb 0.02 -0.60 -0.04 0.00 0.41 0.00 0.00 41.25 41.04 2pqe s ASN 144 CO 0.27 -0.25 0.96 0.00 -1.51 0.00 0.00 177.10 176.57 2pqe s ALA 145 N -2.48 3.18 -0.36 0.60 0.00 -1.26 -5.00 121.76 116.44 2pqe s ALA 145 Ca 0.35 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.16 2pqe s ALA 145 Cb -0.01 -2.93 0.48 0.00 0.00 0.00 0.00 23.12 20.66 2pqe s ALA 145 CO 0.20 -0.60 1.47 -0.40 0.00 0.00 0.00 175.76 176.43 2pqe n ASP 146 N -2.61 4.21 -1.11 0.00 5.75 -1.26 -5.01 116.55 116.52 2pqe n ASP 146 Ca 0.04 -3.78 -0.01 0.00 -0.01 0.00 0.00 54.79 51.03 2pqe n ASP 146 Cb 0.54 -0.60 -0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2pqe n ASP 146 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2pqe n SER 147 N -0.95 -0.08 0.00 -1.12 2.88 -1.26 -4.95 113.62 108.14 2pqe n SER 147 Ca 0.42 -1.11 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 2pqe n SER 147 Cb 0.94 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 2pqe n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pqe n GLY 148 N -0.03 3.00 0.62 0.46 0.00 -1.26 -5.25 105.19 102.72 2pqe n GLY 148 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.70 2pqe n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93