#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqe h THR 2 N 0.00 1.40 -3.94 0.00 2.02 -2.11 -3.44 112.91 106.83 2pqe h THR 2 Ca 0.00 -1.38 -0.47 0.00 0.77 0.00 0.00 66.41 65.33 2pqe h THR 2 Cb 0.00 2.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2pqe h THR 2 CO 0.00 0.35 0.37 -0.44 0.37 0.00 0.00 175.52 176.17 2pqe s SER 3 N -5.76 7.04 -0.17 4.18 0.01 -1.26 -5.05 113.70 112.69 2pqe s SER 3 Ca -0.16 1.90 -0.03 0.00 1.31 0.00 0.00 55.95 58.97 2pqe s SER 3 Cb 0.01 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 2pqe s SER 3 CO 0.65 -0.28 -0.06 0.42 0.41 0.00 0.00 173.24 174.38 2pqe s THR 4 N -1.72 3.57 -0.14 1.44 -4.23 -1.26 -5.09 115.64 108.22 2pqe s THR 4 Ca 0.55 -0.46 -0.04 0.00 -1.18 0.00 0.00 61.69 60.56 2pqe s THR 4 Cb -0.19 -2.57 0.07 0.00 1.34 0.00 0.00 72.50 71.15 2pqe s THR 4 CO 0.24 0.48 0.21 -0.75 -0.54 0.00 0.00 174.62 174.25 2pqe s LYS 5 N 0.70 0.12 0.22 3.99 2.20 -1.26 -5.15 119.74 120.56 2pqe s LYS 5 Ca -0.03 0.47 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 2pqe s LYS 5 Cb -0.15 -0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 35.55 2pqe s LYS 5 CO 0.02 -0.44 0.16 0.15 -0.36 0.00 0.00 175.35 174.88 2pqe s LYS 6 N 2.33 1.30 1.10 4.03 3.01 -1.26 -5.16 119.74 125.10 2pqe s LYS 6 Ca 0.04 -1.70 -0.12 0.00 -1.01 0.00 0.00 55.97 53.18 2pqe s LYS 6 Cb -0.13 0.28 0.25 0.00 -1.01 0.00 0.00 37.83 37.21 2pqe s LYS 6 CO -0.09 -0.44 1.06 -1.17 0.51 0.00 0.00 175.35 175.22 2pqe s LEU 7 N -3.20 1.31 0.30 3.17 2.96 -1.26 -5.04 118.68 116.92 2pqe s LEU 7 Ca 0.39 1.63 0.07 0.00 -0.22 0.00 0.00 54.13 56.00 2pqe s LEU 7 Cb 0.06 -3.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 2pqe s LEU 7 CO 0.15 -3.89 0.31 -1.38 -1.32 0.00 0.00 176.35 170.22 2pqe s HIS 8 N -2.54 3.07 0.28 5.38 -3.43 -1.26 -5.08 115.29 111.70 2pqe s HIS 8 Ca 0.68 -0.20 -0.18 0.00 -0.80 0.00 0.00 55.06 54.56 2pqe s HIS 8 Cb -0.24 -1.69 -0.09 0.00 -1.43 0.00 0.00 32.58 29.13 2pqe s HIS 8 CO 0.63 0.28 0.75 0.15 -2.00 0.00 0.00 174.74 174.54 2pqe s LYS 9 N -3.98 4.15 -0.30 -0.38 3.01 -1.26 -4.58 119.74 116.39 2pqe s LYS 9 Ca 0.38 0.81 -0.16 0.00 -1.01 0.00 0.00 55.97 55.99 2pqe s LYS 9 Cb -0.07 -2.63 0.19 0.00 -1.01 0.00 0.00 37.83 34.30 2pqe s LYS 9 CO 0.27 0.26 1.18 -2.00 0.51 0.00 0.00 175.35 175.57 2pqe s GLU 10 N -2.50 0.14 0.00 1.68 2.12 0.19 -4.76 118.70 115.56 2pqe s GLU 10 Ca 0.49 0.26 0.00 0.00 0.36 0.00 0.00 54.97 56.08 2pqe s GLU 10 Cb -0.13 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.31 2pqe s GLU 10 CO 0.19 -0.03 0.00 0.00 -0.54 0.00 0.00 175.26 174.88 2pqe n ALA 11 N 3.49 0.35 0.00 6.30 0.00 -1.25 -2.25 120.51 127.15 2pqe n ALA 11 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 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 -3.30 0.00 0.00 -1.02 -3.92 120.51 109.27 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 0.03 -0.29 0.00 2.01 -1.07 -4.19 115.64 112.13 2pqe s THR 13 Ca 0.00 -0.27 -0.13 0.00 0.31 0.00 0.00 61.69 61.60 2pqe s THR 13 Cb 0.00 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 2pqe s THR 13 CO 0.00 -0.15 0.27 -0.22 -0.69 0.00 0.00 174.62 173.84 2pqe s LEU 14 N -0.85 4.09 -0.03 4.42 1.98 -1.26 0.18 118.68 127.21 2pqe s LEU 14 Ca -0.09 0.05 -0.18 0.00 -2.89 0.00 0.00 54.13 51.03 2pqe s LEU 14 Cb -0.04 -2.25 -0.10 0.00 0.66 0.00 0.00 46.19 44.46 2pqe s LEU 14 CO 0.04 -0.13 0.73 0.40 -1.89 0.00 0.00 176.35 175.50 2pqe h ILE 15 N 5.40 0.12 -1.25 6.68 5.03 -0.83 -3.47 117.51 129.19 2pqe h ILE 15 Ca -0.33 -0.62 0.15 0.00 -0.12 0.00 0.00 64.86 63.94 2pqe h ILE 15 Cb 1.17 0.19 -0.30 0.00 -3.03 0.00 0.00 36.82 34.86 2pqe h ILE 15 CO 0.60 0.03 0.75 -0.75 -0.68 0.00 0.00 178.15 178.10 2pqe s LYS 16 N -3.55 0.22 0.53 2.37 2.20 -1.03 -5.02 119.74 115.47 2pqe s LYS 16 Ca -0.09 0.22 -0.17 0.00 -0.36 0.00 0.00 55.97 55.56 2pqe s LYS 16 Cb 0.01 0.11 -0.07 0.00 -1.51 0.00 0.00 37.83 36.37 2pqe s LYS 16 CO 0.30 -0.03 1.02 0.00 -0.36 0.00 0.00 175.35 176.28 2pqe s ALA 17 N -0.07 2.88 -0.10 3.13 0.00 -1.26 -0.56 121.76 125.79 2pqe s ALA 17 Ca 0.06 0.39 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 2pqe s ALA 17 Cb -0.04 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 2pqe s ALA 17 CO -0.11 -0.46 -0.17 -0.89 0.00 0.00 0.00 175.76 174.12 2pqe n ILE 18 N -1.54 1.00 -2.85 0.00 5.41 0.40 -4.84 119.36 116.94 2pqe n ILE 18 Ca 0.08 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.71 2pqe n ILE 18 Cb 0.53 -1.80 0.02 0.00 -0.71 0.00 0.00 39.64 37.69 2pqe n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2pqe n ASP 19 N -3.76 0.70 0.00 4.38 -0.08 -0.12 -4.97 116.55 112.70 2pqe n ASP 19 Ca -0.19 -2.85 0.00 0.00 -1.51 0.00 0.00 54.79 50.24 2pqe n ASP 19 Cb 0.51 -0.27 0.00 0.00 2.34 0.00 0.00 41.12 43.70 2pqe n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pqe n GLY 20 N 0.03 0.66 0.07 0.27 0.00 -1.25 -3.42 105.19 101.55 2pqe n GLY 20 Ca 0.13 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 0.09 -3.30 1.61 3.04 -1.90 -3.43 116.42 112.53 2pqe h ASP 21 Ca 0.00 -0.11 -0.70 0.00 -3.24 0.00 0.00 57.03 52.98 2pqe h ASP 21 Cb 0.00 -0.03 -0.19 0.00 -1.04 0.00 0.00 39.33 38.07 2pqe h ASP 21 CO 0.00 1.09 -0.07 -0.89 -2.04 0.00 0.00 179.24 177.32 2pqe s THR 22 N -2.67 4.99 0.02 1.15 2.01 -1.22 -0.48 115.64 119.44 2pqe s THR 22 Ca -0.02 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.40 2pqe s THR 22 Cb 0.09 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 2pqe s THR 22 CO 0.83 -0.70 -0.11 0.68 -0.69 0.00 0.00 174.62 174.63 2pqe s VAL 23 N 2.33 0.83 -0.53 3.82 -7.23 0.63 0.15 120.40 120.40 2pqe s VAL 23 Ca 0.12 -0.79 -0.24 0.00 -1.81 0.00 0.00 61.98 59.25 2pqe s VAL 23 Cb -0.20 -0.76 0.04 0.00 0.56 0.00 0.00 36.38 36.02 2pqe s VAL 23 CO 0.11 -0.02 0.93 -0.54 -0.31 0.00 0.00 175.10 175.27 2pqe s LYS 24 N -0.91 3.36 -0.12 4.82 1.02 0.28 0.11 119.74 128.30 2pqe s LYS 24 Ca -0.00 -0.19 -0.01 0.00 0.02 0.00 0.00 55.97 55.79 2pqe s LYS 24 Cb -0.07 -4.03 -0.02 0.00 -0.52 0.00 0.00 37.83 33.19 2pqe s LYS 24 CO 0.01 -1.42 -0.10 -1.17 -0.92 0.00 0.00 175.35 171.74 2pqe s LEU 25 N 3.88 2.92 -0.74 3.17 0.20 0.37 -0.07 118.68 128.41 2pqe s LEU 25 Ca 0.31 -0.22 -0.27 0.00 0.69 0.00 0.00 54.13 54.65 2pqe s LEU 25 Cb -0.12 -1.66 0.02 0.00 -0.43 0.00 0.00 46.19 44.00 2pqe s LEU 25 CO 0.20 0.21 1.40 -0.32 -0.29 0.00 0.00 176.35 177.55 2pqe s MET 26 N 0.09 3.11 -0.13 1.98 1.75 0.48 -1.38 119.30 125.19 2pqe s MET 26 Ca -0.04 -0.15 -0.09 0.00 -1.25 0.00 0.00 55.69 54.16 2pqe s MET 26 Cb -0.14 -4.30 -0.04 0.00 2.84 0.00 0.00 34.83 33.19 2pqe s MET 26 CO 0.04 -2.27 0.18 -0.47 -0.65 0.00 0.00 175.02 171.85 2pqe s TYR 27 N 6.32 3.55 -0.29 4.11 5.04 0.32 -2.59 117.35 133.81 2pqe s TYR 27 Ca 0.42 0.53 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 2pqe s TYR 27 Cb -0.08 -2.07 0.00 0.00 0.35 0.00 0.00 41.96 40.16 2pqe s TYR 27 CO 0.14 0.57 0.00 0.36 -1.34 0.00 0.00 175.55 175.28 2pqe n LYS 28 N 2.50 -2.57 -0.30 4.97 0.00 -1.25 0.12 118.16 121.63 2pqe n LYS 28 Ca -0.18 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2pqe n LYS 28 Cb 0.54 -4.63 0.00 0.00 -0.00 0.00 0.00 35.03 30.94 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 0.84 2.95 2.58 0.00 -1.26 -5.08 105.19 104.70 2pqe n GLY 29 Ca -0.04 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.67 0.99 -0.84 1.61 -2.07 0.32 -5.09 119.66 113.91 2pqe s GLN 30 Ca 0.00 -0.21 -0.25 0.00 -1.82 0.00 0.00 55.36 53.08 2pqe s GLN 30 Cb 0.00 -0.93 0.03 0.00 -1.09 0.00 0.00 33.01 31.03 2pqe s GLN 30 CO 0.00 -0.00 1.39 0.00 -1.32 0.00 0.00 175.29 175.36 2pqe s ALA 31 N 0.64 2.67 0.15 2.60 0.00 -1.26 0.12 121.76 126.68 2pqe s ALA 31 Ca -0.10 -1.67 0.07 0.00 0.00 0.00 0.00 51.96 50.26 2pqe s ALA 31 Cb -0.13 -4.37 -0.04 0.00 0.00 0.00 0.00 23.12 18.58 2pqe s ALA 31 CO 0.01 -3.49 -0.02 0.00 0.00 0.00 0.00 175.76 172.26 2pqe s MET 32 N 5.56 2.37 -0.44 0.00 0.00 -0.48 -4.88 119.30 121.43 2pqe s MET 32 Ca 0.42 -1.06 -0.29 0.00 0.00 0.00 0.00 55.69 54.76 2pqe s MET 32 Cb -0.05 -2.37 0.03 0.00 0.00 0.00 0.00 34.83 32.43 2pqe s MET 32 CO 0.06 0.48 1.14 0.99 0.00 0.00 0.00 175.02 177.68 2pqe s THR 33 N -1.58 4.25 -0.04 3.16 2.01 -1.26 -0.47 115.64 121.71 2pqe s THR 33 Ca 0.26 1.32 -0.11 0.00 0.31 0.00 0.00 61.69 63.47 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 0.18 -0.90 0.30 -0.36 -0.69 0.00 0.00 174.62 173.15 2pqe s PHE 34 N 4.33 3.67 -0.15 4.92 0.40 0.31 -0.46 117.98 131.00 2pqe s PHE 34 Ca 0.48 0.79 0.02 0.00 -0.60 0.00 0.00 56.93 57.62 2pqe s PHE 34 Cb -0.08 -2.14 0.01 0.00 0.51 0.00 0.00 43.02 41.32 2pqe s PHE 34 CO 0.29 0.67 -0.20 1.03 0.70 0.00 0.00 175.22 177.71 2pqe s ARG 35 N -1.15 2.83 -0.32 0.44 0.52 -1.10 -0.26 118.95 119.91 2pqe s ARG 35 Ca 0.21 -0.78 -0.31 0.00 -0.52 0.00 0.00 55.73 54.33 2pqe s ARG 35 Cb -0.15 -2.36 -0.08 0.00 0.52 0.00 0.00 34.95 32.88 2pqe s ARG 35 CO 0.10 -0.09 2.24 -0.11 0.02 0.00 0.00 175.30 177.46 2pqe n LEU 36 N 4.29 2.60 -4.77 2.53 0.00 0.37 0.99 117.00 123.00 2pqe n LEU 36 Ca -0.20 0.24 -0.40 0.00 0.00 0.00 0.00 56.01 55.65 2pqe n LEU 36 Cb 0.51 -1.41 -0.01 0.00 0.00 0.00 0.00 43.42 42.51 2pqe n LEU 36 CO 0.26 -0.78 0.96 -0.76 0.00 0.00 0.00 177.39 177.07 2pqe s LEU 37 N 8.20 4.23 -1.51 -1.96 1.43 -0.69 -2.58 118.68 125.80 2pqe s LEU 37 Ca 1.06 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 56.81 2pqe s LEU 37 Cb -0.58 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 41.75 2pqe s LEU 37 CO 0.41 -0.82 0.00 0.18 0.23 0.00 0.00 176.35 176.35 2pqe n LEU 38 N 0.18 -1.24 -3.95 1.79 4.77 -1.26 -4.81 117.00 112.48 2pqe n LEU 38 Ca 0.03 0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 56.20 2pqe n LEU 38 Cb 0.43 -2.32 -0.10 0.00 -2.33 0.00 0.00 43.42 39.10 2pqe n LEU 38 CO 0.56 -0.56 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.08 2pqe s VAL 39 N -2.48 0.11 -0.20 4.08 1.01 -1.07 -1.94 120.40 119.92 2pqe s VAL 39 Ca 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2pqe s VAL 39 Cb 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 36.38 36.00 2pqe s VAL 39 CO 0.00 -0.51 0.07 -0.62 0.00 0.00 0.00 175.10 174.04 2pqe s ASP 40 N -1.60 2.75 -0.70 3.32 2.15 -0.30 -4.47 116.67 117.82 2pqe s ASP 40 Ca -0.13 -0.79 0.03 0.00 0.43 0.00 0.00 52.55 52.09 2pqe s ASP 40 Cb -0.07 -0.43 0.34 0.00 -0.30 0.00 0.00 42.92 42.46 2pqe s ASP 40 CO -0.01 -0.34 1.24 0.41 -0.17 0.00 0.00 175.17 176.30 2pqe n THR 41 N 5.16 3.85 0.00 1.71 -1.04 -1.26 -0.75 114.28 121.95 2pqe n THR 41 Ca -0.08 -5.58 0.00 0.00 -2.04 0.00 0.00 64.05 56.35 2pqe n THR 41 Cb 0.47 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 2pqe n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pqe n ALA 42 N -0.23 0.00 -2.27 2.41 0.00 -1.26 -3.76 120.51 115.40 2pqe n ALA 42 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.52 2pqe n ALA 42 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.84 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 3.34 -2.57 0.00 4.07 -1.26 -4.98 120.64 119.23 2pqe n GLU 43 Ca 0.00 -4.26 -0.41 0.00 -0.06 0.00 0.00 57.16 52.43 2pqe n GLU 43 Cb 0.00 -2.26 -0.03 0.00 -0.06 0.00 0.00 31.44 29.09 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 -5.27 3.93 -0.30 6.31 -4.23 -1.26 -4.78 115.64 110.04 2pqe s THR 44 Ca 0.50 -0.67 0.11 0.00 -1.18 0.00 0.00 61.69 60.44 2pqe s THR 44 Cb 0.41 -5.03 0.70 0.00 1.34 0.00 0.00 72.50 69.92 2pqe s THR 44 CO -0.17 -1.91 1.73 2.29 -0.54 0.00 0.00 174.62 176.02 2pqe n LYS 45 N 8.85 3.44 -0.63 3.99 2.85 -1.26 -4.98 118.16 130.42 2pqe n LYS 45 Ca 0.30 -3.07 0.00 0.00 -1.05 0.00 0.00 58.31 54.48 2pqe n LYS 45 Cb 0.51 -2.13 0.00 0.00 -0.65 0.00 0.00 35.03 32.75 2pqe n LYS 45 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2pqe n HIS 46 N -0.31 -0.19 -2.59 5.58 -0.00 -1.26 -5.07 115.22 111.38 2pqe n HIS 46 Ca 0.38 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.42 2pqe n HIS 46 Cb 1.30 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 31.19 2pqe n HIS 46 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 2pqe n THR 47 N 0.00 1.50 -0.27 3.57 -1.04 -1.26 -4.90 114.28 111.88 2pqe n THR 47 Ca 0.00 -3.62 -0.04 0.00 -2.04 0.00 0.00 64.05 58.35 2pqe n THR 47 Cb 0.00 0.11 0.07 0.00 -1.82 0.00 0.00 70.33 68.70 2pqe n THR 47 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2pqe h LYS 48 N 2.78 0.97 0.00 -2.82 3.64 -2.02 -3.45 116.57 115.67 2pqe h LYS 48 Ca 0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2pqe h LYS 48 Cb 1.14 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2pqe h LYS 48 CO 0.57 0.64 0.00 0.36 -2.27 0.00 0.00 179.45 178.75 2pqe n LYS 49 N -4.58 0.00 0.00 1.90 -0.00 -1.26 -5.00 118.16 109.22 2pqe n LYS 49 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2pqe n LYS 49 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.07 2pqe n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pqe n GLY 50 N 0.00 -0.08 1.45 2.58 0.00 -1.26 -4.99 105.19 102.89 2pqe n GLY 50 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2pqe n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pqe n VAL 51 N 0.00 0.08 -0.00 1.61 0.31 -1.26 -2.71 118.33 116.36 2pqe n VAL 51 Ca 0.00 -0.72 0.06 0.00 -0.01 0.00 0.00 64.34 63.67 2pqe n VAL 51 Cb 0.00 0.82 0.45 0.00 -0.91 0.00 0.00 33.84 34.20 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 0.70 0.48 -0.32 5.55 9.09 -1.95 -3.19 114.58 124.94 2pqe h GLU 52 Ca -0.38 -0.03 -0.22 0.00 0.05 0.00 0.00 59.36 58.78 2pqe h GLU 52 Cb 1.63 -0.11 -0.38 0.00 -1.65 0.00 0.00 28.75 28.24 2pqe h GLU 52 CO -0.07 0.32 -1.04 0.36 0.05 0.00 0.00 179.01 178.63 2pqe n LYS 53 N -4.48 1.37 -3.15 1.06 0.00 -1.26 -4.99 118.16 106.71 2pqe n LYS 53 Ca 0.04 -3.05 -0.14 0.00 -0.00 0.00 0.00 58.31 55.16 2pqe n LYS 53 Cb 0.13 -1.16 0.07 0.00 -0.00 0.00 0.00 35.03 34.06 2pqe n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2pqe n TYR 54 N -0.45 -2.23 -0.05 5.58 4.02 -1.21 -4.71 117.16 118.11 2pqe n TYR 54 Ca 0.05 0.81 -0.21 0.00 -0.01 0.00 0.00 57.90 58.53 2pqe n TYR 54 Cb 0.87 -4.16 -0.13 0.00 -0.02 0.00 0.00 39.34 35.90 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 -1.13 0.14 0.42 2.72 0.00 -1.84 -3.21 103.07 100.17 2pqe h GLY 55 Ca -0.56 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.37 2pqe h GLY 55 CO 0.42 0.32 -0.13 0.00 0.00 0.00 0.00 176.54 177.14 2pqe h ALA 56 N -0.23 0.04 -0.02 3.60 0.00 -1.89 -3.20 119.26 117.55 2pqe h ALA 56 Ca -0.34 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.17 2pqe h ALA 56 Cb 1.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 2pqe h ALA 56 CO -0.06 -0.02 0.02 1.49 0.00 0.00 0.00 179.25 180.68 2pqe h GLU 57 N -0.53 0.00 -0.19 0.00 4.57 -1.84 -2.09 114.58 114.49 2pqe h GLU 57 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2pqe h GLU 57 Cb 0.83 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 2pqe h GLU 57 CO 0.03 0.00 0.12 0.00 -1.18 0.00 0.00 179.01 177.98 2pqe h ALA 58 N 1.99 0.24 -0.63 2.92 0.00 -1.55 -0.96 119.26 121.26 2pqe h ALA 58 Ca 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2pqe h ALA 58 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2pqe h ALA 58 CO -0.00 -0.27 0.10 0.66 0.00 0.00 0.00 179.25 179.74 2pqe h SER 59 N 0.25 1.01 -0.35 0.00 4.64 -1.42 -2.73 113.55 114.94 2pqe h SER 59 Ca 0.07 -0.26 0.03 0.00 -0.47 0.00 0.00 61.79 61.15 2pqe h SER 59 Cb -0.01 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.78 2pqe h SER 59 CO -0.01 1.02 0.16 0.00 -0.87 0.00 0.00 176.83 177.13 2pqe h ALA 60 N 1.03 0.42 -0.45 5.18 0.00 -1.11 0.83 119.26 125.17 2pqe h ALA 60 Ca 0.19 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2pqe h ALA 60 Cb 0.44 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2pqe h ALA 60 CO 0.01 -0.22 0.21 0.35 0.00 0.00 0.00 179.25 179.60 2pqe h PHE 61 N 0.34 0.37 -0.04 0.00 3.04 -1.04 0.56 116.94 120.18 2pqe h PHE 61 Ca 0.15 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.95 2pqe h PHE 61 Cb 0.08 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 2pqe h PHE 61 CO -0.11 0.17 -0.75 1.15 -2.02 0.00 0.00 178.31 176.76 2pqe h THR 62 N 0.41 1.43 -0.09 4.41 2.02 -1.15 -2.26 112.91 117.69 2pqe h THR 62 Ca 0.20 -2.29 -0.07 0.00 0.77 0.00 0.00 66.41 65.02 2pqe h THR 62 Cb 0.14 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 2pqe h THR 62 CO -0.16 0.67 -0.22 0.50 0.37 0.00 0.00 175.52 176.69 2pqe h LYS 63 N 0.16 0.30 -0.45 6.66 3.64 0.13 -0.92 116.57 126.08 2pqe h LYS 63 Ca -0.03 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 59.03 2pqe h LYS 63 Cb 1.31 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 2pqe h LYS 63 CO 0.12 0.81 -0.18 1.57 -2.27 0.00 0.00 179.45 179.50 2pqe h LYS 64 N -0.17 0.91 -0.12 1.90 5.09 0.04 0.63 116.57 124.86 2pqe h LYS 64 Ca -0.00 -0.39 -0.17 0.00 0.09 0.00 0.00 60.65 60.18 2pqe h LYS 64 Cb 0.82 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 33.11 2pqe h LYS 64 CO 0.05 1.04 -0.63 1.98 -2.09 0.00 0.00 179.45 179.79 2pqe h MET 65 N 0.75 0.43 0.21 0.07 4.05 -1.48 -1.47 114.93 117.50 2pqe h MET 65 Ca 0.10 -0.31 -0.33 0.00 -0.28 0.00 0.00 59.70 58.88 2pqe h MET 65 Cb 0.75 0.05 0.02 0.00 -0.80 0.00 0.00 31.60 31.62 2pqe h MET 65 CO 0.06 0.93 -1.56 -0.24 0.23 0.00 0.00 176.91 176.33 2pqe h VAL 66 N 0.31 1.13 0.00 -5.77 3.04 -1.10 -2.05 116.25 111.82 2pqe h VAL 66 Ca -0.01 -2.59 -0.02 0.00 -1.01 0.00 0.00 66.70 63.07 2pqe h VAL 66 Cb 1.18 2.92 -0.00 0.00 -2.01 0.00 0.00 31.29 33.37 2pqe h VAL 66 CO 0.11 0.82 -0.09 -0.33 -1.01 0.00 0.00 177.57 177.07 2pqe h GLU 67 N 0.07 0.00 0.00 4.17 4.39 0.21 -3.18 114.58 120.24 2pqe h GLU 67 Ca -0.29 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.09 2pqe h GLU 67 Cb 2.09 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.68 2pqe h GLU 67 CO 0.21 0.09 -2.00 0.09 -1.16 0.00 0.00 179.01 176.25 2pqe n ASN 68 N -3.18 0.47 -0.26 1.42 4.13 -0.55 -4.31 115.26 112.98 2pqe n ASN 68 Ca 0.01 0.22 0.04 0.00 1.68 0.00 0.00 54.58 56.53 2pqe n ASN 68 Cb 0.42 0.46 0.17 0.00 -1.54 0.00 0.00 39.78 39.29 2pqe n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pqe h ALA 69 N 1.05 1.06 0.00 5.41 0.00 -1.34 -3.46 119.26 121.98 2pqe h ALA 69 Ca -0.39 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2pqe h ALA 69 Cb 2.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2pqe h ALA 69 CO 0.05 -0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.82 2pqe n LYS 70 N -4.92 0.00 -3.92 0.00 5.02 -1.25 -4.63 118.16 108.46 2pqe n LYS 70 Ca 0.13 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.15 2pqe n LYS 70 Cb 0.35 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.19 2pqe n LYS 70 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2pqe s LYS 71 N 0.00 1.66 -0.02 1.97 2.36 -1.26 -4.81 119.74 119.64 2pqe s LYS 71 Ca 0.00 -0.31 0.07 0.00 -2.55 0.00 0.00 55.97 53.18 2pqe s LYS 71 Cb 0.00 -1.69 -0.02 0.00 -1.05 0.00 0.00 37.83 35.08 2pqe s LYS 71 CO 0.00 -0.27 -0.23 0.42 1.55 0.00 0.00 175.35 176.82 2pqe s ILE 72 N 1.67 1.85 -0.03 5.43 1.09 -1.26 0.64 121.20 130.59 2pqe s ILE 72 Ca 0.05 -1.00 0.03 0.00 -1.10 0.00 0.00 60.65 58.64 2pqe s ILE 72 Cb -0.13 -1.54 -0.00 0.00 -1.06 0.00 0.00 42.46 39.73 2pqe s ILE 72 CO -0.09 0.52 -0.13 -1.61 -0.10 0.00 0.00 174.94 173.54 2pqe s GLU 73 N -0.52 1.32 0.09 2.79 2.02 -0.15 -2.42 118.70 121.83 2pqe s GLU 73 Ca 0.08 -0.45 0.07 0.00 0.02 0.00 0.00 54.97 54.68 2pqe s GLU 73 Cb -0.09 -1.19 -0.04 0.00 0.10 0.00 0.00 34.13 32.91 2pqe s GLU 73 CO -0.01 0.19 -0.10 0.14 0.02 0.00 0.00 175.26 175.50 2pqe s VAL 74 N 0.07 3.35 -0.18 2.63 -7.23 -0.95 -1.49 120.40 116.60 2pqe s VAL 74 Ca -0.02 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2pqe s VAL 74 Cb -0.09 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.34 2pqe s VAL 74 CO 0.01 0.16 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.17 2pqe s GLU 75 N -2.08 1.81 -0.22 4.82 -6.30 -0.92 -0.64 118.70 115.18 2pqe s GLU 75 Ca 0.20 -0.65 -0.18 0.00 -2.50 0.00 0.00 54.97 51.84 2pqe s GLU 75 Cb -0.11 -2.18 -0.03 0.00 0.00 0.00 0.00 34.13 31.81 2pqe s GLU 75 CO 0.12 -0.40 0.50 -0.06 0.02 0.00 0.00 175.26 175.45 2pqe s PHE 76 N 1.51 3.34 0.58 5.30 0.08 -1.26 -2.47 117.98 125.06 2pqe s PHE 76 Ca 0.01 0.71 0.01 0.00 0.12 0.00 0.00 56.93 57.77 2pqe s PHE 76 Cb -0.15 -2.67 0.11 0.00 -0.57 0.00 0.00 43.02 39.74 2pqe s PHE 76 CO -0.08 -0.15 0.80 -3.47 -0.10 0.00 0.00 175.22 172.21 2pqe n ASP 77 N 5.02 1.17 0.28 1.36 2.03 -1.26 -4.95 116.55 120.19 2pqe n ASP 77 Ca -0.05 -1.96 0.18 0.00 0.52 0.00 0.00 54.79 53.48 2pqe n ASP 77 Cb 0.50 -0.51 0.95 0.00 -0.72 0.00 0.00 41.12 41.34 2pqe n ASP 77 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2pqe h LYS 78 N 0.00 0.00 -7.08 -0.67 6.56 -1.98 -3.44 116.57 109.97 2pqe h LYS 78 Ca -0.26 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 58.81 2pqe h LYS 78 Cb 1.00 0.00 0.21 0.00 -0.57 0.00 0.00 32.23 32.86 2pqe h LYS 78 CO 0.29 0.00 -0.11 0.41 -2.06 0.00 0.00 179.45 177.99 2pqe n GLY 79 N -1.27 -1.07 3.69 3.86 0.00 -1.15 -4.68 105.19 104.57 2pqe n GLY 79 Ca -0.01 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2pqe n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqe n GLN 80 N -3.29 2.79 -0.10 1.61 10.64 -1.26 -4.84 117.38 122.92 2pqe n GLN 80 Ca 0.10 1.01 0.26 0.00 -1.83 0.00 0.00 57.00 56.54 2pqe n GLN 80 Cb 0.53 -2.90 0.72 0.00 -0.86 0.00 0.00 30.24 27.72 2pqe n GLN 80 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 2pqe h ARG 81 N 8.41 0.00 -3.40 2.61 2.43 -1.88 -3.35 114.38 119.20 2pqe h ARG 81 Ca -0.46 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.20 2pqe h ARG 81 Cb 1.22 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.37 2pqe h ARG 81 CO 0.95 0.00 -0.76 0.95 -1.51 0.00 0.00 179.97 179.60 2pqe s THR 82 N -4.90 0.39 -0.80 0.20 -4.23 -1.22 -1.22 115.64 103.86 2pqe s THR 82 Ca -0.05 -0.54 -0.13 0.00 -1.18 0.00 0.00 61.69 59.79 2pqe s THR 82 Cb 0.20 -0.97 -0.10 0.00 1.34 0.00 0.00 72.50 72.96 2pqe s THR 82 CO 0.72 -0.28 1.97 -0.67 -0.54 0.00 0.00 174.62 175.81 2pqe n ASP 83 N 5.10 3.56 -2.38 3.99 -0.08 -1.26 -4.34 116.55 121.15 2pqe n ASP 83 Ca -0.08 -2.47 -0.07 0.00 -1.51 0.00 0.00 54.79 50.66 2pqe n ASP 83 Cb 0.47 -1.07 -0.01 0.00 2.34 0.00 0.00 41.12 42.86 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 5.55 -2.44 -0.13 -0.67 4.76 -1.26 -4.74 118.16 119.22 2pqe n LYS 84 Ca 0.45 0.37 0.04 0.00 -2.87 0.00 0.00 58.31 56.29 2pqe n LYS 84 Cb 0.25 -4.90 0.05 0.00 -1.84 0.00 0.00 35.03 28.59 2pqe n LYS 84 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2pqe n TYR 85 N -2.94 0.00 -1.75 2.13 4.02 -1.26 -4.98 117.16 112.38 2pqe n TYR 85 Ca -0.09 -0.52 -0.15 0.00 -0.01 0.00 0.00 57.90 57.14 2pqe n TYR 85 Cb 0.55 -0.08 -0.04 0.00 -0.02 0.00 0.00 39.34 39.74 2pqe n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pqe n GLY 86 N -0.69 0.77 3.70 2.72 0.00 -1.26 -4.94 105.19 105.50 2pqe n GLY 86 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.82 2.18 -0.92 1.61 0.52 -1.26 -4.92 118.95 112.34 2pqe s ARG 87 Ca 0.00 -1.83 -0.02 0.00 -0.52 0.00 0.00 55.73 53.37 2pqe s ARG 87 Cb 0.00 -1.95 0.25 0.00 0.52 0.00 0.00 34.95 33.77 2pqe s ARG 87 CO 0.00 -0.04 0.98 0.41 0.02 0.00 0.00 175.30 176.68 2pqe n GLY 88 N -1.14 4.52 3.71 -3.53 0.00 0.39 -3.43 105.19 105.71 2pqe n GLY 88 Ca -0.02 -2.65 -0.38 0.00 0.00 0.00 0.00 46.02 42.97 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 1.83 5.46 0.00 0.99 -0.00 -0.36 -2.70 117.00 122.22 2pqe n LEU 89 Ca 0.25 0.88 0.00 0.00 -0.00 0.00 0.00 56.01 57.14 2pqe n LEU 89 Cb 0.37 -1.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.25 2pqe n LEU 89 CO 0.47 -0.99 0.00 0.00 -0.00 0.00 0.00 177.39 176.87 2pqe n ALA 90 N -1.56 0.00 -2.68 1.47 0.00 0.28 -4.76 120.51 113.25 2pqe n ALA 90 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 2pqe n ALA 90 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 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 3.62 -0.17 0.00 1.51 -1.03 -1.70 117.35 117.58 2pqe s TYR 91 Ca 0.00 1.65 -0.09 0.00 -1.01 0.00 0.00 57.07 57.62 2pqe s TYR 91 Cb 0.00 -3.16 -0.05 0.00 -0.11 0.00 0.00 41.96 38.65 2pqe s TYR 91 CO 0.00 -0.16 0.14 0.42 -1.11 0.00 0.00 175.55 174.84 2pqe s ILE 92 N 1.13 5.44 -0.05 2.71 -1.09 -1.26 -2.16 121.20 125.91 2pqe s ILE 92 Ca 0.52 0.21 0.02 0.00 -2.23 0.00 0.00 60.65 59.17 2pqe s ILE 92 Cb -0.21 -3.45 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 2pqe s ILE 92 CO 0.27 0.50 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.09 2pqe s TYR 93 N -0.09 1.02 -0.23 3.97 1.51 -0.56 -2.32 117.35 120.65 2pqe s TYR 93 Ca 0.11 -0.33 -0.07 0.00 -1.01 0.00 0.00 57.07 55.77 2pqe s TYR 93 Cb -0.11 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.90 2pqe s TYR 93 CO 0.00 -0.21 0.06 0.00 -1.11 0.00 0.00 175.55 174.29 2pqe s ALA 94 N 0.72 3.19 -1.76 3.71 0.00 -0.55 -0.98 121.76 126.09 2pqe s ALA 94 Ca -0.12 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 2pqe s ALA 94 Cb -0.14 -2.01 0.16 0.00 0.00 0.00 0.00 23.12 21.13 2pqe s ALA 94 CO 0.02 -0.31 0.45 -3.47 0.00 0.00 0.00 175.76 172.44 2pqe n ASP 95 N 4.56 -1.16 0.00 0.00 -0.08 0.21 0.15 116.55 120.24 2pqe n ASP 95 Ca -0.16 -1.23 0.00 0.00 -1.51 0.00 0.00 54.79 51.89 2pqe n ASP 95 Cb 0.52 -1.75 0.00 0.00 2.34 0.00 0.00 41.12 42.22 2pqe n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pqe n GLY 96 N -1.54 0.52 3.76 0.27 0.00 -1.26 -5.05 105.19 101.88 2pqe n GLY 96 Ca -0.02 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.11 2.81 -0.43 1.61 2.47 0.40 -5.09 119.74 120.41 2pqe s LYS 97 Ca 0.00 -0.78 -0.17 0.00 -1.56 0.00 0.00 55.97 53.46 2pqe s LYS 97 Cb 0.00 -2.66 0.03 0.00 -1.46 0.00 0.00 37.83 33.74 2pqe s LYS 97 CO 0.00 0.53 0.43 -1.64 0.16 0.00 0.00 175.35 174.83 2pqe s MET 98 N -2.61 3.07 -0.02 4.03 -1.94 -1.26 -1.48 119.30 119.09 2pqe s MET 98 Ca 0.29 -0.86 -0.24 0.00 -1.71 0.00 0.00 55.69 53.18 2pqe s MET 98 Cb -0.11 -4.00 -0.21 0.00 2.01 0.00 0.00 34.83 32.53 2pqe s MET 98 CO 0.22 -0.89 1.15 0.28 -0.01 0.00 0.00 175.02 175.77 2pqe h VAL 99 N 5.73 1.47 -0.62 -6.03 2.07 -1.85 -1.54 116.25 115.47 2pqe h VAL 99 Ca -0.27 -1.65 0.13 0.00 0.82 0.00 0.00 66.70 65.74 2pqe h VAL 99 Cb 1.11 2.43 -0.11 0.00 -1.52 0.00 0.00 31.29 33.20 2pqe h VAL 99 CO 0.81 0.45 -0.05 -0.55 0.02 0.00 0.00 177.57 178.26 2pqe h ASN 100 N -0.37 -0.37 -0.03 0.57 -1.07 -1.93 0.38 115.58 112.76 2pqe h ASN 100 Ca -0.01 0.17 -0.22 0.00 0.07 0.00 0.00 56.30 56.30 2pqe h ASN 100 Cb 0.83 0.31 0.02 0.00 -2.07 0.00 0.00 38.32 37.41 2pqe h ASN 100 CO 0.04 -0.15 -0.85 1.05 0.07 0.00 0.00 177.43 177.59 2pqe h GLU 101 N 0.08 0.62 -0.76 4.14 4.11 -1.95 -2.80 114.58 118.03 2pqe h GLU 101 Ca 0.32 -0.63 0.06 0.00 0.07 0.00 0.00 59.36 59.18 2pqe h GLU 101 Cb 0.52 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 2pqe h GLU 101 CO -0.57 1.24 0.44 0.00 0.07 0.00 0.00 179.01 180.19 2pqe h ALA 102 N 0.40 1.03 0.23 1.06 0.00 -0.36 0.99 119.26 122.61 2pqe h ALA 102 Ca -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2pqe h ALA 102 Cb 1.51 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2pqe h ALA 102 CO 0.17 0.14 -0.11 -0.07 0.00 0.00 0.00 179.25 179.38 2pqe h LEU 103 N 0.81 -0.26 -0.03 0.00 3.38 -0.33 -2.00 115.31 116.88 2pqe h LEU 103 Ca 0.34 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2pqe h LEU 103 Cb 0.19 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2pqe h LEU 103 CO -0.18 0.06 0.00 0.58 0.09 0.00 0.00 178.44 178.99 2pqe h VAL 104 N -0.60 1.21 -0.67 1.22 2.07 -1.25 0.93 116.25 119.17 2pqe h VAL 104 Ca -0.03 -0.64 0.17 0.00 0.82 0.00 0.00 66.70 67.01 2pqe h VAL 104 Cb 0.43 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2pqe h VAL 104 CO 0.05 0.17 0.46 -0.09 0.02 0.00 0.00 177.57 178.19 2pqe h ARG 105 N -0.20 0.15 0.00 1.57 2.43 0.97 0.26 114.38 119.56 2pqe h ARG 105 Ca 0.01 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 2pqe h ARG 105 Cb 0.27 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 2pqe h ARG 105 CO 0.00 0.10 -1.57 1.04 -1.51 0.00 0.00 179.97 178.03 2pqe n GLN 106 N -4.40 0.63 -0.18 0.20 3.00 -0.75 -4.77 117.38 111.10 2pqe n GLN 106 Ca 0.13 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 2pqe n GLN 106 Cb 0.63 -1.78 0.00 0.00 0.00 0.00 0.00 30.24 29.09 2pqe n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pqe n GLY 107 N 1.46 0.57 0.00 1.08 0.00 0.18 -4.14 105.19 104.34 2pqe n GLY 107 Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.08 0.00 -3.87 0.99 7.99 0.27 -1.04 117.00 121.26 2pqe n LEU 108 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 55.85 2pqe n LEU 108 Cb 0.04 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.20 2pqe n LEU 108 CO 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 177.39 175.51 2pqe s ALA 109 N -1.99 0.22 0.71 -1.18 0.00 -1.20 -4.59 121.76 113.72 2pqe s ALA 109 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 2pqe s ALA 109 Cb 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.00 2pqe s ALA 109 CO 0.00 -0.00 0.21 0.36 0.00 0.00 0.00 175.76 176.33 2pqe n LYS 110 N 3.48 0.14 -3.67 0.00 -0.00 0.07 -3.45 118.16 114.73 2pqe n LYS 110 Ca -0.18 -0.44 -0.39 0.00 -0.00 0.00 0.00 58.31 57.30 2pqe n LYS 110 Cb 0.56 -0.18 -0.12 0.00 -0.00 0.00 0.00 35.03 35.28 2pqe n LYS 110 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2pqe s VAL 111 N -0.93 4.40 0.00 0.58 1.01 -1.26 -1.15 120.40 123.05 2pqe s VAL 111 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2pqe s VAL 111 Cb -0.01 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2pqe s VAL 111 CO 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.18 2pqe n ALA 112 N 4.95 0.00 -3.33 5.51 0.00 -0.82 -4.85 120.51 121.97 2pqe n ALA 112 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.15 2pqe n ALA 112 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 2pqe n ALA 112 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2pqe s TYR 113 N -0.50 -0.35 0.64 0.00 1.51 -1.26 -4.84 117.35 112.54 2pqe s TYR 113 Ca 0.00 -0.85 -0.14 0.00 -1.01 0.00 0.00 57.07 55.08 2pqe s TYR 113 Cb 0.00 -0.36 -0.02 0.00 -0.11 0.00 0.00 41.96 41.47 2pqe s TYR 113 CO 0.00 -0.99 1.06 0.08 -1.11 0.00 0.00 175.55 174.59 2pqe s VAL 114 N 1.34 3.82 0.11 0.71 1.01 -1.26 -4.97 120.40 121.17 2pqe s VAL 114 Ca 0.18 0.76 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 2pqe s VAL 114 Cb -0.13 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 2pqe s VAL 114 CO -0.03 -0.61 1.75 1.88 0.00 0.00 0.00 175.10 178.09 2pqe h TYR 115 N -0.02 0.10 0.00 5.22 -1.99 -2.01 -3.46 116.97 114.80 2pqe h TYR 115 Ca -0.46 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.28 2pqe h TYR 115 Cb 1.22 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.92 2pqe h TYR 115 CO 0.59 0.06 0.00 0.36 -0.00 0.00 0.00 178.16 179.17 2pqe n LYS 116 N -5.05 0.00 -0.05 4.88 2.85 -1.26 -5.01 118.16 114.52 2pqe n LYS 116 Ca -0.04 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.13 2pqe n LYS 116 Cb 0.05 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.40 2pqe n LYS 116 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2pqe h GLY 117 N 0.00 -0.35 -7.77 2.58 0.00 -1.89 -3.29 103.07 92.36 2pqe h GLY 117 Ca 0.00 0.39 -0.77 0.00 0.00 0.00 0.00 47.33 46.95 2pqe h GLY 117 CO 0.00 -0.21 0.21 0.21 0.00 0.00 0.00 176.54 176.75 2pqe s ASN 118 N -4.99 6.74 -0.28 0.19 3.04 -1.26 -2.93 114.94 115.44 2pqe s ASN 118 Ca -0.15 -2.59 0.16 0.00 0.04 0.00 0.00 52.86 50.32 2pqe s ASN 118 Cb 0.12 -2.24 0.43 0.00 -1.54 0.00 0.00 41.25 38.01 2pqe s ASN 118 CO 0.67 -0.65 1.35 0.59 -3.04 0.00 0.00 177.10 176.02 2pqe n ASN 119 N 4.36 -0.25 -0.09 -4.21 3.02 -1.24 -4.56 115.26 112.29 2pqe n ASN 119 Ca 0.15 -2.13 -0.14 0.00 -0.03 0.00 0.00 54.58 52.43 2pqe n ASN 119 Cb 0.47 0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.79 2pqe n ASN 119 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2pqe n THR 120 N -1.06 1.48 1.53 3.41 -2.24 -1.26 -4.30 114.28 111.83 2pqe n THR 120 Ca -0.09 0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.85 2pqe n THR 120 Cb 0.85 -2.20 0.41 0.00 -2.10 0.00 0.00 70.33 67.28 2pqe n THR 120 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2pqe n HIS 121 N -4.50 0.14 0.00 4.78 8.25 -1.26 -4.11 115.22 118.52 2pqe n HIS 121 Ca -0.22 -0.07 0.23 0.00 -0.26 0.00 0.00 57.72 57.40 2pqe n HIS 121 Cb 0.51 0.00 0.72 0.00 1.12 0.00 0.00 29.99 32.33 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 1.26 0.00 -0.21 -0.41 4.57 -1.91 0.30 114.58 118.18 2pqe h GLU 122 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2pqe h GLU 122 Cb 0.28 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2pqe h GLU 122 CO 0.00 0.00 0.03 1.96 -1.18 0.00 0.00 179.01 179.82 2pqe h GLN 123 N 0.00 0.35 -0.00 1.92 4.20 -1.88 -0.49 115.11 119.20 2pqe h GLN 123 Ca 0.27 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2pqe h GLN 123 Cb 1.38 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.12 2pqe h GLN 123 CO -0.00 0.50 0.00 -0.07 -0.67 0.00 0.00 178.83 178.59 2pqe h LEU 124 N 0.15 0.00 -1.32 1.46 3.38 -1.26 -2.38 115.31 115.34 2pqe h LEU 124 Ca 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2pqe h LEU 124 Cb 0.32 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2pqe h LEU 124 CO 0.00 0.02 0.31 -0.07 0.09 0.00 0.00 178.44 178.80 2pqe h LEU 125 N -0.02 0.69 -0.98 1.67 4.07 -1.48 -2.14 115.31 117.11 2pqe h LEU 125 Ca 0.00 -0.05 0.01 0.00 0.08 0.00 0.00 57.88 57.92 2pqe h LEU 125 Cb 0.02 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.54 2pqe h LEU 125 CO -0.00 0.55 0.65 0.03 -1.08 0.00 0.00 178.44 178.59 2pqe h ARG 126 N 0.78 1.28 -0.34 1.13 2.47 -0.66 0.23 114.38 119.27 2pqe h ARG 126 Ca 0.20 -0.08 -0.15 0.00 -1.26 0.00 0.00 59.98 58.69 2pqe h ARG 126 Cb 0.02 -0.29 -0.00 0.00 -1.65 0.00 0.00 29.97 28.05 2pqe h ARG 126 CO -0.03 0.85 -0.39 0.87 0.56 0.00 0.00 179.97 181.83 2pqe h LYS 127 N 1.32 0.87 -0.32 0.04 6.56 -0.92 -2.07 116.57 122.06 2pqe h LYS 127 Ca 0.36 -0.48 -0.13 0.00 -1.06 0.00 0.00 60.65 59.34 2pqe h LYS 127 Cb -0.14 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.53 2pqe h LYS 127 CO -0.08 1.12 -0.34 0.77 -2.06 0.00 0.00 179.45 178.86 2pqe h SER 128 N 0.66 0.73 0.48 0.86 0.02 -0.99 -1.27 113.55 114.05 2pqe h SER 128 Ca 0.05 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 2pqe h SER 128 Cb 0.98 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2pqe h SER 128 CO 0.09 1.01 -0.23 -0.08 -1.14 0.00 0.00 176.83 176.48 2pqe h GLU 129 N 0.59 -0.62 -0.94 3.45 4.81 -0.51 -1.72 114.58 119.63 2pqe h GLU 129 Ca 0.06 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2pqe h GLU 129 Cb 0.86 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 2pqe h GLU 129 CO 0.07 -0.32 0.62 0.00 -0.73 0.00 0.00 179.01 178.66 2pqe h ALA 130 N -0.61 1.38 -0.30 2.92 0.00 -1.42 0.46 119.26 121.68 2pqe h ALA 130 Ca -0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2pqe h ALA 130 Cb 0.59 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2pqe h ALA 130 CO 0.11 0.54 0.18 1.96 0.00 0.00 0.00 179.25 182.04 2pqe h GLN 131 N 1.21 0.41 -0.01 0.00 1.08 -1.21 -0.82 115.11 115.77 2pqe h GLN 131 Ca 0.37 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.42 2pqe h GLN 131 Cb -0.03 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 2pqe h GLN 131 CO -0.10 0.32 -0.52 0.00 -0.95 0.00 0.00 178.83 177.57 2pqe h ALA 132 N 1.07 1.11 0.07 3.87 0.00 -0.86 -2.04 119.26 122.48 2pqe h ALA 132 Ca 0.11 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2pqe h ALA 132 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2pqe h ALA 132 CO -0.02 0.66 -0.03 -0.22 0.00 0.00 0.00 179.25 179.63 2pqe h LYS 133 N 0.02 -0.09 -0.51 0.00 3.11 -0.49 0.50 116.57 119.12 2pqe h LYS 133 Ca -0.00 0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 2pqe h LYS 133 Cb 0.93 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.16 2pqe h LYS 133 CO 0.07 0.27 0.00 0.87 -2.81 0.00 0.00 179.45 177.85 2pqe h LYS 134 N -0.46 0.86 0.00 1.90 1.57 -1.17 -2.62 116.57 116.64 2pqe h LYS 134 Ca -0.01 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 2pqe h LYS 134 Cb 0.40 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2pqe h LYS 134 CO 0.02 0.85 -0.27 0.93 -0.57 0.00 0.00 179.45 180.41 2pqe h GLU 135 N 0.79 0.00 -5.49 3.15 5.08 -1.35 -3.48 114.58 113.28 2pqe h GLU 135 Ca 0.15 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2pqe h GLU 135 Cb 0.47 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.79 2pqe h GLU 135 CO 0.02 0.27 -0.34 1.63 -1.00 0.00 0.00 179.01 179.58 2pqe n LYS 136 N -3.19 -1.60 0.00 2.33 4.76 0.17 -5.00 118.16 115.63 2pqe n LYS 136 Ca 0.02 1.24 0.00 0.00 -2.87 0.00 0.00 58.31 56.70 2pqe n LYS 136 Cb 0.61 -5.58 0.00 0.00 -1.84 0.00 0.00 35.03 28.22 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 -2.35 1.40 0.00 -0.35 4.77 -1.04 -4.65 117.00 114.79 2pqe n LEU 137 Ca -0.04 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2pqe n LEU 137 Cb 0.55 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2pqe n LEU 137 CO 0.56 -0.14 0.00 0.59 -1.33 0.00 0.00 177.39 177.07 2pqe n ASN 138 N -0.91 0.00 -0.24 -1.43 3.02 -1.26 -4.71 115.26 109.74 2pqe n ASN 138 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.71 2pqe n ASN 138 Cb 0.00 0.00 0.47 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.74 -0.91 2.41 3.07 -1.37 0.21 117.51 121.66 2pqe h ILE 139 Ca 0.00 -0.17 -0.42 0.00 1.55 0.00 0.00 64.86 65.82 2pqe h ILE 139 Cb 0.00 0.21 -0.25 0.00 -0.27 0.00 0.00 36.82 36.51 2pqe h ILE 139 CO 0.00 0.09 0.53 0.79 -1.05 0.00 0.00 178.15 178.51 2pqe n TRP 140 N -4.53 2.87 -1.17 0.16 5.03 -1.26 -4.29 117.44 114.25 2pqe n TRP 140 Ca 0.18 -1.65 0.04 0.00 3.03 0.00 0.00 57.50 59.10 2pqe n TRP 140 Cb 0.60 -0.87 0.23 0.00 -1.03 0.00 0.00 31.31 30.24 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 -0.84 3.24 0.00 -0.99 2.88 0.72 -4.39 113.62 114.24 2pqe n SER 141 Ca 0.54 -3.30 0.00 0.00 -1.33 0.00 0.00 58.87 54.78 2pqe n SER 141 Cb 1.58 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 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 -0.82 0.00 -3.47 -1.46 0.28 -1.26 -5.00 120.64 108.91 2pqe n GLU 142 Ca 0.26 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 57.06 2pqe n GLU 142 Cb 0.93 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.79 2pqe n GLU 142 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2pqe s ASP 143 N 0.00 5.68 -0.10 -1.84 -4.77 -1.26 -4.99 116.67 109.39 2pqe s ASP 143 Ca 0.00 -0.35 0.10 0.00 -3.30 0.00 0.00 52.55 49.00 2pqe s ASP 143 Cb 0.00 -1.01 -0.14 0.00 -1.09 0.00 0.00 42.92 40.68 2pqe s ASP 143 CO 0.00 -0.50 0.06 0.59 0.70 0.00 0.00 175.17 176.03 2pqe n ASN 144 N -1.61 2.28 0.00 2.11 5.03 -1.26 -5.01 115.26 116.80 2pqe n ASN 144 Ca 0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.46 2pqe n ASN 144 Cb 0.59 0.87 0.00 0.00 -1.02 0.00 0.00 39.78 40.21 2pqe n ASN 144 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pqe n ALA 145 N -2.35 0.00 -2.95 5.41 0.00 -1.26 -4.46 120.51 114.89 2pqe n ALA 145 Ca -0.16 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.84 2pqe n ALA 145 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 2pqe n ALA 145 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pqe n ASP 146 N 1.75 5.73 -2.04 0.00 2.03 -1.26 -4.99 116.55 117.78 2pqe n ASP 146 Ca 0.00 -3.18 -0.00 0.00 0.52 0.00 0.00 54.79 52.12 2pqe n ASP 146 Cb 0.00 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.01 2pqe n ASP 146 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2pqe n SER 147 N 2.86 0.39 -3.52 1.67 3.41 -1.26 -5.10 113.62 112.08 2pqe n SER 147 Ca 0.30 -1.02 -0.27 0.00 -0.26 0.00 0.00 58.87 57.62 2pqe n SER 147 Cb 0.37 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.21 2pqe n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pqe n GLY 148 N 4.91 3.05 3.98 5.00 0.00 -1.26 -5.20 105.19 115.67 2pqe n GLY 148 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2pqe n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14