#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqe n GLU 2 N 0.00 0.41 -1.15 2.98 1.02 -1.26 -5.03 120.64 117.61 2rqe n GLU 2 Ca 0.00 -3.13 0.00 0.00 -0.02 0.00 0.00 57.16 54.01 2rqe n GLU 2 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 2rqe n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rqe n ALA 3 N 2.26 -1.75 -1.18 0.62 0.00 -1.26 -4.08 120.51 115.12 2rqe n ALA 3 Ca 0.26 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.74 2rqe n ALA 3 Cb 0.50 -1.17 0.16 0.00 0.00 0.00 0.00 19.45 18.95 2rqe n ALA 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rqe s PRO 4 N -4.53 0.69 0.18 0.00 0.04 -1.26 -4.89 135.00 125.24 2rqe s PRO 4 Ca 0.00 0.62 -0.30 0.00 0.04 0.00 0.00 61.00 61.35 2rqe s PRO 4 Cb 0.00 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 2rqe s PRO 4 CO 0.00 -2.58 1.32 -1.25 0.04 0.00 0.00 177.00 174.53 2rqe s PRO 5 N -4.95 4.38 0.23 0.56 0.04 -1.26 -4.98 135.00 129.01 2rqe s PRO 5 Ca 0.65 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.44 2rqe s PRO 5 Cb -0.18 -3.21 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 2rqe s PRO 5 CO 0.57 -0.29 0.93 0.00 0.04 0.00 0.00 177.00 178.26 2rqe s ALA 6 N 0.33 3.34 -1.11 8.56 0.00 -1.26 -4.59 121.76 127.02 2rqe s ALA 6 Ca 0.58 0.60 -0.08 0.00 0.00 0.00 0.00 51.96 53.07 2rqe s ALA 6 Cb -0.36 -3.20 0.28 0.00 0.00 0.00 0.00 23.12 19.84 2rqe s ALA 6 CO 0.36 0.19 1.22 2.41 0.00 0.00 0.00 175.76 179.94 2rqe n THR 7 N 1.60 4.76 -2.48 0.00 -1.04 0.13 -4.99 114.28 112.26 2rqe n THR 7 Ca -0.02 -5.50 -0.43 0.00 -2.04 0.00 0.00 64.05 56.06 2rqe n THR 7 Cb 0.47 -2.46 -0.02 0.00 -1.82 0.00 0.00 70.33 66.50 2rqe n THR 7 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2rqe s LEU 8 N -1.60 3.59 0.00 -4.42 1.02 -1.26 -2.68 118.68 113.33 2rqe s LEU 8 Ca 0.31 0.60 0.00 0.00 0.02 0.00 0.00 54.13 55.06 2rqe s LEU 8 Cb -0.06 -3.51 0.00 0.00 0.02 0.00 0.00 46.19 42.63 2rqe s LEU 8 CO -0.03 -1.36 0.00 -0.62 0.02 0.00 0.00 176.35 174.35 2rqe n GLU 9 N 8.01 0.15 -3.56 1.70 -0.58 0.11 -4.77 120.64 121.69 2rqe n GLU 9 Ca 0.14 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.60 2rqe n GLU 9 Cb 0.49 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.25 2rqe n GLU 9 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rqe s ALA 10 N -3.99 2.07 1.04 0.62 0.00 0.68 -4.51 121.76 117.67 2rqe s ALA 10 Ca 0.00 -2.79 -0.15 0.00 0.00 0.00 0.00 51.96 49.02 2rqe s ALA 10 Cb 0.00 -1.77 0.21 0.00 0.00 0.00 0.00 23.12 21.56 2rqe s ALA 10 CO 0.00 -2.02 1.12 0.42 0.00 0.00 0.00 175.76 175.28 2rqe s ILE 11 N -0.25 1.88 1.16 0.00 -1.09 -1.26 -1.96 121.20 119.68 2rqe s ILE 11 Ca 0.28 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.53 2rqe s ILE 11 Cb -0.02 -2.58 0.19 0.00 -1.58 0.00 0.00 42.46 38.46 2rqe s ILE 11 CO -0.16 0.00 0.34 1.41 -1.23 0.00 0.00 174.94 175.31 2rqe n HIS 12 N -4.25 -1.82 0.49 3.97 8.25 -1.24 -4.62 115.22 116.01 2rqe n HIS 12 Ca 0.08 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2rqe n HIS 12 Cb 0.59 -1.53 0.00 0.00 1.12 0.00 0.00 29.99 30.17 2rqe n HIS 12 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2rqe n PRO 13 N -3.05 0.49 -0.73 -0.41 -0.04 -1.26 -2.39 135.00 127.60 2rqe n PRO 13 Ca 0.03 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.54 2rqe n PRO 13 Cb 0.56 -1.24 0.11 0.00 -0.04 0.00 0.00 33.50 32.88 2rqe n PRO 13 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2rqe n LYS 14 N 0.27 0.80 -2.85 0.54 2.85 -1.26 -4.26 118.16 114.25 2rqe n LYS 14 Ca 0.00 -2.40 0.00 0.00 -1.05 0.00 0.00 58.31 54.86 2rqe n LYS 14 Cb 0.12 -0.94 0.00 0.00 -0.65 0.00 0.00 35.03 33.56 2rqe n LYS 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2rqe n GLY 15 N -0.53 -1.56 3.51 2.58 0.00 -0.82 -4.23 105.19 104.14 2rqe n GLY 15 Ca 0.11 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 2rqe n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rqe s LEU 16 N 0.00 0.38 -0.02 0.99 2.96 -1.23 -4.12 118.68 117.65 2rqe s LEU 16 Ca 0.00 -0.75 0.02 0.00 -0.22 0.00 0.00 54.13 53.18 2rqe s LEU 16 Cb 0.00 1.78 0.00 0.00 0.50 0.00 0.00 46.19 48.47 2rqe s LEU 16 CO 0.00 -1.05 -0.09 -0.60 -1.32 0.00 0.00 176.35 173.29 2rqe s ARG 17 N -3.95 0.89 -0.21 1.98 3.52 -1.26 -0.58 118.95 119.34 2rqe s ARG 17 Ca 0.16 -0.30 -0.04 0.00 -0.13 0.00 0.00 55.73 55.43 2rqe s ARG 17 Cb 0.00 -0.84 0.09 0.00 -1.56 0.00 0.00 34.95 32.64 2rqe s ARG 17 CO 0.03 0.12 0.22 0.08 -0.81 0.00 0.00 175.30 174.94 2rqe s VAL 18 N 0.13 -0.32 0.26 7.11 1.01 -0.88 0.05 120.40 127.75 2rqe s VAL 18 Ca -0.02 -0.15 0.11 0.00 0.00 0.00 0.00 61.98 61.92 2rqe s VAL 18 Cb -0.08 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2rqe s VAL 18 CO 0.00 -0.23 -0.19 -0.55 0.00 0.00 0.00 175.10 174.13 2rqe s SER 19 N 2.32 3.34 0.02 3.32 0.15 -1.09 -2.11 113.70 119.65 2rqe s SER 19 Ca 0.07 -1.01 -0.04 0.00 0.70 0.00 0.00 55.95 55.66 2rqe s SER 19 Cb -0.16 -0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 63.88 2rqe s SER 19 CO -0.13 -0.00 0.07 0.68 1.20 0.00 0.00 173.24 175.05 2rqe s VAL 20 N -2.55 0.11 -0.06 4.45 -7.23 -0.57 0.22 120.40 114.78 2rqe s VAL 20 Ca 0.27 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 59.24 2rqe s VAL 20 Cb -0.04 -0.54 -0.05 0.00 0.56 0.00 0.00 36.38 36.31 2rqe s VAL 20 CO 0.13 -0.50 1.49 -2.16 -0.31 0.00 0.00 175.10 173.75 2rqe s PRO 21 N -1.82 4.22 0.31 4.82 0.04 -1.26 -2.05 135.00 139.26 2rqe s PRO 21 Ca -0.12 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 2rqe s PRO 21 Cb -0.06 -3.80 -0.10 0.00 0.04 0.00 0.00 34.50 30.58 2rqe s PRO 21 CO -0.01 -0.73 1.21 0.34 0.04 0.00 0.00 177.00 177.85 2rqe s ASP 22 N 2.58 6.97 -0.04 6.66 -1.08 -1.26 -4.86 116.67 125.63 2rqe s ASP 22 Ca 0.66 2.50 0.06 0.00 -0.52 0.00 0.00 52.55 55.26 2rqe s ASP 22 Cb -0.30 -2.64 0.10 0.00 -1.46 0.00 0.00 42.92 38.61 2rqe s ASP 22 CO 0.25 -0.38 1.01 -0.62 0.52 0.00 0.00 175.17 175.96 2rqe n GLU 23 N 0.93 0.55 0.00 4.34 1.02 -1.26 -4.95 120.64 121.27 2rqe n GLU 23 Ca -0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 57.16 55.63 2rqe n GLU 23 Cb 0.43 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 2rqe n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rqe n GLY 24 N -0.50 1.10 3.52 0.62 0.00 -1.26 -5.02 105.19 103.65 2rqe n GLY 24 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2rqe n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2rqe n PHE 25 N -1.23 -0.48 0.00 1.61 3.72 -1.26 -4.38 117.46 115.44 2rqe n PHE 25 Ca 0.00 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2rqe n PHE 25 Cb 0.00 -1.81 0.00 0.00 -0.94 0.00 0.00 39.48 36.73 2rqe n PHE 25 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2rqe n SER 26 N -4.00 1.02 -3.70 4.37 2.88 0.40 -4.92 113.62 109.68 2rqe n SER 26 Ca 0.07 -0.24 -0.14 0.00 -1.33 0.00 0.00 58.87 57.23 2rqe n SER 26 Cb 0.54 0.68 -0.09 0.00 -0.75 0.00 0.00 64.21 64.59 2rqe n SER 26 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2rqe s LEU 27 N -1.57 0.11 0.03 2.46 1.98 -1.23 -4.55 118.68 115.92 2rqe s LEU 27 Ca 0.00 0.96 0.03 0.00 -2.89 0.00 0.00 54.13 52.22 2rqe s LEU 27 Cb 0.00 1.71 -0.02 0.00 0.66 0.00 0.00 46.19 48.55 2rqe s LEU 27 CO 0.00 -0.20 -0.08 0.12 -1.89 0.00 0.00 176.35 174.30 2rqe s PHE 28 N 0.16 0.73 0.01 5.38 2.19 0.14 -1.94 117.98 124.65 2rqe s PHE 28 Ca -0.01 -0.33 0.03 0.00 0.33 0.00 0.00 56.93 56.95 2rqe s PHE 28 Cb -0.03 -0.45 -0.01 0.00 -1.31 0.00 0.00 43.02 41.22 2rqe s PHE 28 CO 0.01 -0.03 -0.10 0.00 1.83 0.00 0.00 175.22 176.93 2rqe s ALA 29 N -0.85 0.82 -0.13 11.12 0.00 0.36 0.18 121.76 133.27 2rqe s ALA 29 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2rqe s ALA 29 Cb -0.07 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2rqe s ALA 29 CO 0.00 0.16 -0.12 -0.06 0.00 0.00 0.00 175.76 175.75 2rqe s PHE 30 N -0.51 1.91 -0.35 0.00 0.40 0.31 -2.94 117.98 116.80 2rqe s PHE 30 Ca 0.01 -1.02 0.04 0.00 -0.60 0.00 0.00 56.93 55.37 2rqe s PHE 30 Cb -0.05 -1.45 0.16 0.00 0.51 0.00 0.00 43.02 42.19 2rqe s PHE 30 CO 0.00 -0.59 0.46 -1.01 0.70 0.00 0.00 175.22 174.78 2rqe s HIS 31 N 1.47 -0.92 0.31 0.36 3.76 -1.26 -1.33 115.29 117.68 2rqe s HIS 31 Ca 0.03 -0.14 -0.01 0.00 -0.15 0.00 0.00 55.06 54.78 2rqe s HIS 31 Cb -0.13 -0.13 -0.01 0.00 1.11 0.00 0.00 32.58 33.42 2rqe s HIS 31 CO -0.08 -1.03 0.40 0.20 -0.85 0.00 0.00 174.74 173.37 2rqe s GLY 32 N 1.92 1.55 0.00 -2.22 0.00 -1.24 -3.84 107.32 103.49 2rqe s GLY 32 Ca 0.14 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.28 2rqe s GLY 32 CO -0.13 -1.10 0.00 0.28 0.00 0.00 0.00 173.10 172.15 2rqe n LYS 33 N -0.52 0.95 -4.18 2.90 5.02 -1.26 -1.05 118.16 120.03 2rqe n LYS 33 Ca 0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.15 2rqe n LYS 33 Cb 0.62 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.50 2rqe n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2rqe s LEU 34 N 0.00 2.16 -0.94 -0.35 2.96 -1.26 -4.11 118.68 117.14 2rqe s LEU 34 Ca 0.00 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2rqe s LEU 34 Cb 0.00 -0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.36 2rqe s LEU 34 CO 0.00 -0.05 0.00 0.59 -1.32 0.00 0.00 176.35 175.57 2rqe n ASN 35 N 2.03 -2.83 -3.63 3.68 3.02 -1.24 -4.86 115.26 111.44 2rqe n ASN 35 Ca -0.18 0.25 -0.12 0.00 -0.03 0.00 0.00 54.58 54.50 2rqe n ASN 35 Cb 0.56 -2.63 -0.07 0.00 -0.61 0.00 0.00 39.78 37.03 2rqe n ASN 35 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2rqe s GLU 36 N -3.71 0.69 0.34 3.52 2.56 -1.26 -5.12 118.70 115.71 2rqe s GLU 36 Ca 0.00 0.84 0.08 0.00 0.00 0.00 0.00 54.97 55.89 2rqe s GLU 36 Cb 0.00 0.32 -0.04 0.00 2.00 0.00 0.00 34.13 36.42 2rqe s GLU 36 CO 0.00 -0.09 0.18 -1.83 -0.56 0.00 0.00 175.26 172.97 2rqe s GLU 37 N 0.40 2.47 0.53 4.30 -1.05 -1.26 -4.38 118.70 119.70 2rqe s GLU 37 Ca 0.01 -1.47 0.05 0.00 -0.15 0.00 0.00 54.97 53.40 2rqe s GLU 37 Cb -0.05 -2.26 0.03 0.00 -0.44 0.00 0.00 34.13 31.41 2rqe s GLU 37 CO -0.03 0.11 0.34 0.00 0.95 0.00 0.00 175.26 176.63 2rqe s MET 38 N -3.88 2.25 -0.03 -4.83 0.23 -1.26 -5.10 119.30 106.67 2rqe s MET 38 Ca 0.38 -2.07 -0.01 0.00 -1.03 0.00 0.00 55.69 52.97 2rqe s MET 38 Cb -0.03 -2.01 0.03 0.00 -1.53 0.00 0.00 34.83 31.28 2rqe s MET 38 CO 0.24 -0.56 0.07 -2.00 -2.03 0.00 0.00 175.02 170.73 2rqe s GLU 39 N -4.21 0.01 -0.20 3.16 2.12 -1.26 -4.88 118.70 113.44 2rqe s GLU 39 Ca 0.30 0.24 -0.01 0.00 0.36 0.00 0.00 54.97 55.86 2rqe s GLU 39 Cb -0.02 -0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.16 2rqe s GLU 39 CO 0.18 -0.16 0.17 0.41 -0.54 0.00 0.00 175.26 175.33 2rqe n GLY 40 N 4.13 0.61 2.60 -1.50 0.00 -1.26 -4.34 105.19 105.43 2rqe n GLY 40 Ca -0.27 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 2rqe n GLY 40 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2rqe n LEU 41 N -1.28 -1.63 0.00 0.99 -0.00 -1.26 -4.96 117.00 108.86 2rqe n LEU 41 Ca -0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2rqe n LEU 41 Cb 0.51 -1.02 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 2rqe n LEU 41 CO 0.10 -0.05 0.00 -1.84 -0.00 0.00 0.00 177.39 175.60 2rqe n GLU 42 N -0.05 2.03 -3.31 1.47 0.28 -1.26 -5.10 120.64 114.70 2rqe n GLU 42 Ca -0.05 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.50 2rqe n GLU 42 Cb 0.44 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.24 2rqe n GLU 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2rqe s ALA 43 N -2.00 3.55 0.00 -1.84 0.00 -1.26 -4.94 121.76 115.27 2rqe s ALA 43 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 51.96 49.77 2rqe s ALA 43 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2rqe s ALA 43 CO 0.00 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.28 2rqe n GLY 44 N 5.22 -0.22 0.13 0.00 0.00 -1.26 -5.00 105.19 104.06 2rqe n GLY 44 Ca -0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 2rqe n GLY 44 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rqe n HIS 45 N 0.00 0.00 -1.42 1.61 8.25 -1.04 -4.97 115.22 117.65 2rqe n HIS 45 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 2rqe n HIS 45 Cb 0.00 -0.07 0.09 0.00 1.12 0.00 0.00 29.99 31.14 2rqe n HIS 45 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2rqe s TRP 46 N -1.27 2.04 -0.27 4.41 0.51 -0.21 -4.90 118.94 119.25 2rqe s TRP 46 Ca -0.04 1.60 -0.11 0.00 -2.12 0.00 0.00 56.10 55.43 2rqe s TRP 46 Cb 0.01 -3.47 0.10 0.00 -0.81 0.00 0.00 33.47 29.30 2rqe s TRP 46 CO 0.06 -2.62 0.62 -1.54 -0.51 0.00 0.00 176.95 172.95 2rqe s SER 47 N -2.04 -0.93 -0.03 2.95 1.04 -1.22 -3.70 113.70 109.78 2rqe s SER 47 Ca 0.74 1.44 -0.30 0.00 0.48 0.00 0.00 55.95 58.31 2rqe s SER 47 Cb -0.29 1.79 0.11 0.00 0.10 0.00 0.00 66.02 67.73 2rqe s SER 47 CO 0.45 -0.23 0.95 -0.60 0.98 0.00 0.00 173.24 174.80 2rqe s ARG 48 N 2.36 0.75 -0.26 4.02 3.00 -0.45 -4.98 118.95 123.40 2rqe s ARG 48 Ca -0.07 -0.29 -0.04 0.00 -1.00 0.00 0.00 55.73 54.33 2rqe s ARG 48 Cb -0.10 0.34 0.09 0.00 0.00 0.00 0.00 34.95 35.28 2rqe s ARG 48 CO -0.18 -0.33 0.11 0.34 0.00 0.00 0.00 175.30 175.24 2rqe s ASP 49 N -2.46 3.25 -0.48 -2.12 2.15 -1.26 -0.53 116.67 115.21 2rqe s ASP 49 Ca 0.06 -1.12 -0.29 0.00 0.43 0.00 0.00 52.55 51.63 2rqe s ASP 49 Cb -0.01 -0.39 0.02 0.00 -0.30 0.00 0.00 42.92 42.25 2rqe s ASP 49 CO -0.08 -0.41 1.27 -0.63 -0.17 0.00 0.00 175.17 175.15 2rqe s ILE 50 N 2.05 4.03 -0.38 4.11 -1.09 0.49 -4.88 121.20 125.53 2rqe s ILE 50 Ca 0.07 1.02 0.03 0.00 -2.23 0.00 0.00 60.65 59.53 2rqe s ILE 50 Cb -0.16 -4.48 0.54 0.00 -1.58 0.00 0.00 42.46 36.78 2rqe s ILE 50 CO -0.27 -1.00 1.77 0.35 -1.23 0.00 0.00 174.94 174.56 2rqe n THR 51 N 6.91 2.84 0.00 2.92 -2.24 -1.26 0.24 114.28 123.69 2rqe n THR 51 Ca 0.13 -1.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.29 2rqe n THR 51 Cb 0.49 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 2rqe n THR 51 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2rqe n LYS 52 N -0.83 0.00 -1.09 -0.78 4.81 -1.26 -4.93 118.16 114.08 2rqe n LYS 52 Ca 0.49 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.64 2rqe n LYS 52 Cb 1.42 0.00 0.23 0.00 0.02 0.00 0.00 35.03 36.70 2rqe n LYS 52 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2rqe s PRO 53 N -0.88 -0.92 0.00 1.64 0.04 -1.26 -4.94 135.00 128.67 2rqe s PRO 53 Ca 0.00 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.08 2rqe s PRO 53 Cb 0.00 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.92 2rqe s PRO 53 CO 0.00 -3.53 0.00 1.17 0.04 0.00 0.00 177.00 174.68 2rqe n LYS 54 N -4.65 0.00 -2.87 4.56 4.81 -0.44 -4.89 118.16 114.68 2rqe n LYS 54 Ca 0.11 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.24 2rqe n LYS 54 Cb 0.59 -0.06 -0.02 0.00 0.02 0.00 0.00 35.03 35.56 2rqe n LYS 54 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2rqe n ASN 55 N -1.55 5.42 0.00 3.14 3.02 -1.26 -4.80 115.26 119.23 2rqe n ASN 55 Ca 0.00 -3.67 0.00 0.00 -0.03 0.00 0.00 54.58 50.88 2rqe n ASN 55 Cb 0.00 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 2rqe n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rqe n GLY 56 N -0.11 3.08 3.29 7.41 0.00 -1.26 -4.98 105.19 112.63 2rqe n GLY 56 Ca 0.36 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.22 2rqe n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rqe s ARG 57 N -0.36 1.25 -0.81 1.61 3.00 -1.26 -4.12 118.95 118.26 2rqe s ARG 57 Ca 0.00 -1.62 -0.20 0.00 0.00 0.00 0.00 55.73 53.92 2rqe s ARG 57 Cb 0.00 -0.50 0.11 0.00 0.00 0.00 0.00 34.95 34.57 2rqe s ARG 57 CO 0.00 -0.10 1.02 -1.58 0.00 0.00 0.00 175.30 174.64 2rqe s TRP 58 N -3.50 2.98 0.06 -0.53 0.52 -0.87 -1.32 118.94 116.28 2rqe s TRP 58 Ca 0.26 -1.10 0.01 0.00 0.02 0.00 0.00 56.10 55.30 2rqe s TRP 58 Cb 0.06 -4.25 -0.04 0.00 -1.15 0.00 0.00 33.47 28.09 2rqe s TRP 58 CO 0.07 -1.51 0.15 0.42 0.02 0.00 0.00 176.95 176.10 2rqe s ILE 59 N 3.06 5.03 0.07 2.03 1.01 -1.26 -1.50 121.20 129.64 2rqe s ILE 59 Ca 0.27 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 2rqe s ILE 59 Cb -0.11 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 2rqe s ILE 59 CO -0.02 0.15 0.11 0.12 0.00 0.00 0.00 174.94 175.30 2rqe s PHE 60 N -1.44 0.29 -0.10 3.97 5.36 -0.89 -4.87 117.98 120.28 2rqe s PHE 60 Ca 0.32 -0.76 -0.10 0.00 -0.96 0.00 0.00 56.93 55.43 2rqe s PHE 60 Cb -0.13 -0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.40 2rqe s PHE 60 CO 0.25 -0.48 0.28 -0.98 -1.46 0.00 0.00 175.22 172.83 2rqe s ARG 61 N -3.85 0.32 0.45 10.12 3.03 -1.26 -2.08 118.95 125.68 2rqe s ARG 61 Ca 0.05 0.38 0.02 0.00 2.03 0.00 0.00 55.73 58.22 2rqe s ARG 61 Cb 0.06 0.16 0.02 0.00 -1.03 0.00 0.00 34.95 34.16 2rqe s ARG 61 CO -0.10 -0.04 0.19 -0.25 -1.13 0.00 0.00 175.30 173.97 2rqe n ASP 62 N 2.93 2.80 -0.40 -2.89 8.00 0.25 -4.94 116.55 122.29 2rqe n ASP 62 Ca -0.13 -2.73 0.00 0.00 0.71 0.00 0.00 54.79 52.65 2rqe n ASP 62 Cb 0.58 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 2rqe n ASP 62 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2rqe n ARG 63 N -1.36 0.00 -0.48 -1.24 0.63 -1.26 -3.51 116.66 109.45 2rqe n ARG 63 Ca -0.09 -0.75 0.02 0.00 -0.92 0.00 0.00 57.85 56.10 2rqe n ARG 63 Cb 0.54 -0.42 0.02 0.00 0.45 0.00 0.00 32.46 33.05 2rqe n ARG 63 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2rqe n ASN 64 N 0.00 0.38 -4.20 6.15 0.23 -1.26 -4.45 115.26 112.11 2rqe n ASN 64 Ca 0.00 -2.16 -0.41 0.00 -0.53 0.00 0.00 54.58 51.48 2rqe n ASN 64 Cb 0.63 -0.24 -0.08 0.00 -2.08 0.00 0.00 39.78 38.02 2rqe n ASN 64 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2rqe s ALA 65 N -0.42 3.55 -1.04 -2.53 0.00 -1.26 -4.87 121.76 115.19 2rqe s ALA 65 Ca 0.06 -2.87 -0.14 0.00 0.00 0.00 0.00 51.96 49.01 2rqe s ALA 65 Cb 0.06 -2.89 0.20 0.00 0.00 0.00 0.00 23.12 20.49 2rqe s ALA 65 CO -0.00 -2.02 1.15 0.00 0.00 0.00 0.00 175.76 174.89 2rqe s ALA 66 N 0.77 4.04 0.43 0.00 0.00 -1.26 -1.94 121.76 123.79 2rqe s ALA 66 Ca 0.11 -3.32 0.06 0.00 0.00 0.00 0.00 51.96 48.80 2rqe s ALA 66 Cb -0.22 -3.86 -0.07 0.00 0.00 0.00 0.00 23.12 18.98 2rqe s ALA 66 CO -0.03 -2.59 0.01 -0.48 0.00 0.00 0.00 175.76 172.67 2rqe s LEU 67 N 0.89 2.77 -0.19 0.00 2.34 -1.26 -4.96 118.68 118.27 2rqe s LEU 67 Ca 0.33 -1.42 -0.13 0.00 0.06 0.00 0.00 54.13 52.96 2rqe s LEU 67 Cb -0.06 -0.87 0.06 0.00 -0.56 0.00 0.00 46.19 44.76 2rqe s LEU 67 CO -0.06 -0.53 0.47 -1.59 -1.06 0.00 0.00 176.35 173.58 2rqe s LYS 68 N -3.74 0.50 -0.09 1.48 0.00 -1.26 -4.26 119.74 112.36 2rqe s LYS 68 Ca 0.29 0.79 -0.08 0.00 0.00 0.00 0.00 55.97 56.97 2rqe s LYS 68 Cb 0.08 0.12 -0.04 0.00 0.00 0.00 0.00 37.83 38.00 2rqe s LYS 68 CO 0.15 -0.12 0.30 -0.89 0.00 0.00 0.00 175.35 174.79 2rqe n ILE 69 N 3.65 0.00 0.00 3.79 2.08 -1.26 -1.90 119.36 125.72 2rqe n ILE 69 Ca -0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.12 2rqe n ILE 69 Cb 0.56 -0.09 0.00 0.00 -0.75 0.00 0.00 39.64 39.36 2rqe n ILE 69 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2rqe n GLY 70 N 0.80 2.18 0.00 7.39 0.00 -1.17 -5.05 105.19 109.33 2rqe n GLY 70 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2rqe n GLY 70 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2rqe n ASP 71 N 0.00 -0.79 -3.84 1.61 -0.08 -0.80 -4.73 116.55 107.93 2rqe n ASP 71 Ca 0.00 -0.22 -0.09 0.00 -1.51 0.00 0.00 54.79 52.96 2rqe n ASP 71 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 2rqe n ASP 71 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2rqe s LYS 72 N -1.86 1.31 0.01 -0.67 1.02 -1.26 -2.39 119.74 115.89 2rqe s LYS 72 Ca 0.00 -1.00 -0.04 0.00 0.02 0.00 0.00 55.97 54.95 2rqe s LYS 72 Cb 0.00 0.46 -0.01 0.00 -0.52 0.00 0.00 37.83 37.77 2rqe s LYS 72 CO 0.00 -0.53 0.06 0.42 -0.92 0.00 0.00 175.35 174.38 2rqe s ILE 73 N -3.92 0.09 -0.27 2.17 1.01 0.12 -3.59 121.20 116.82 2rqe s ILE 73 Ca 0.13 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 2rqe s ILE 73 Cb 0.01 -0.34 0.14 0.00 0.01 0.00 0.00 42.46 42.28 2rqe s ILE 73 CO -0.01 -0.40 0.34 -0.31 0.00 0.00 0.00 174.94 174.56 2rqe s TYR 74 N -1.30 -0.71 0.00 3.97 2.02 -1.26 0.09 117.35 120.16 2rqe s TYR 74 Ca -0.14 0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 2rqe s TYR 74 Cb -0.08 -0.22 0.00 0.00 -0.40 0.00 0.00 41.96 41.26 2rqe s TYR 74 CO 0.00 -0.85 0.00 1.97 -1.57 0.00 0.00 175.55 175.11 2rqe n PHE 75 N 5.34 -0.42 -3.80 2.71 -1.74 -1.26 -4.18 117.46 114.11 2rqe n PHE 75 Ca -0.02 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.74 2rqe n PHE 75 Cb 0.49 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.38 2rqe n PHE 75 CO 0.00 0.00 0.00 1.67 -0.56 0.00 0.00 176.76 177.87 2rqe s TRP 76 N -5.49 -0.22 0.07 2.97 -2.14 -1.25 -3.29 118.94 109.59 2rqe s TRP 76 Ca 0.00 0.50 0.06 0.00 2.66 0.00 0.00 56.10 59.32 2rqe s TRP 76 Cb 0.00 0.07 -0.04 0.00 -3.10 0.00 0.00 33.47 30.41 2rqe s TRP 76 CO 0.00 -0.19 -0.09 0.95 -2.66 0.00 0.00 176.95 174.96 2rqe s THR 77 N -0.28 3.43 -0.00 0.66 -4.23 -1.24 -4.10 115.64 109.88 2rqe s THR 77 Ca -0.04 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 2rqe s THR 77 Cb -0.03 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 2rqe s THR 77 CO 0.01 0.22 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.84 2rqe s PHE 78 N -1.13 2.78 0.19 3.99 0.40 -1.15 -1.47 117.98 121.60 2rqe s PHE 78 Ca 0.20 -0.11 -0.04 0.00 -0.60 0.00 0.00 56.93 56.38 2rqe s PHE 78 Cb -0.11 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 41.81 2rqe s PHE 78 CO 0.11 0.31 0.20 0.14 0.70 0.00 0.00 175.22 176.68 2rqe s VAL 79 N -0.93 0.02 -0.32 -0.44 -7.23 1.00 -0.48 120.40 112.02 2rqe s VAL 79 Ca 0.15 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.52 2rqe s VAL 79 Cb -0.11 -2.30 0.14 0.00 0.56 0.00 0.00 36.38 34.68 2rqe s VAL 79 CO 0.05 -0.11 0.31 -0.63 -0.31 0.00 0.00 175.10 174.41 2rqe s ILE 80 N -4.09 -0.33 0.01 -0.62 1.01 -0.82 -1.37 121.20 114.99 2rqe s ILE 80 Ca 0.31 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2rqe s ILE 80 Cb 0.05 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 2rqe s ILE 80 CO 0.08 -0.55 -0.15 -0.75 0.00 0.00 0.00 174.94 173.58 2rqe s LYS 81 N 1.96 2.28 -1.43 2.79 2.20 -1.26 -0.45 119.74 125.83 2rqe s LYS 81 Ca 0.12 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 2rqe s LYS 81 Cb -0.15 -2.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 2rqe s LYS 81 CO -0.21 0.57 0.00 -0.25 -0.36 0.00 0.00 175.35 175.10 2rqe n ASP 82 N 1.73 -3.65 -1.42 1.43 9.92 -1.26 -0.19 116.55 123.11 2rqe n ASP 82 Ca -0.16 0.33 -0.14 0.00 -0.53 0.00 0.00 54.79 54.29 2rqe n ASP 82 Cb 0.52 -3.37 -0.02 0.00 -0.64 0.00 0.00 41.12 37.61 2rqe n ASP 82 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rqe n GLY 83 N -0.30 0.21 0.00 0.44 0.00 -1.26 -4.94 105.19 99.34 2rqe n GLY 83 Ca -0.14 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2rqe n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rqe n LEU 84 N -1.85 0.07 0.00 0.99 4.77 0.74 -5.13 117.00 116.59 2rqe n LEU 84 Ca -0.16 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2rqe n LEU 84 Cb 0.58 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2rqe n LEU 84 CO 0.19 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 2rqe n GLY 85 N 1.77 2.50 3.45 -0.72 0.00 -1.25 -4.92 105.19 106.01 2rqe n GLY 85 Ca 0.00 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 2rqe n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rqe s TYR 86 N 0.00 2.13 -0.28 1.61 2.02 -0.47 -4.96 117.35 117.39 2rqe s TYR 86 Ca 0.00 -0.47 -0.16 0.00 -0.37 0.00 0.00 57.07 56.07 2rqe s TYR 86 Cb 0.00 -1.04 0.11 0.00 -0.40 0.00 0.00 41.96 40.63 2rqe s TYR 86 CO 0.00 0.55 0.79 0.50 -1.57 0.00 0.00 175.55 175.82 2rqe s ARG 87 N -3.59 0.58 0.42 -0.62 3.52 -1.26 -0.00 118.95 118.00 2rqe s ARG 87 Ca 0.29 1.03 -0.20 0.00 -0.13 0.00 0.00 55.73 56.72 2rqe s ARG 87 Cb -0.01 0.17 -0.11 0.00 -1.56 0.00 0.00 34.95 33.44 2rqe s ARG 87 CO 0.13 -0.13 0.93 -1.14 -0.81 0.00 0.00 175.30 174.28 2rqe s GLN 88 N 1.64 4.18 0.00 5.12 2.00 -0.54 -4.76 119.66 127.30 2rqe s GLN 88 Ca -0.09 1.06 0.00 0.00 -2.00 0.00 0.00 55.36 54.32 2rqe s GLN 88 Cb -0.05 -2.20 0.00 0.00 0.80 0.00 0.00 33.01 31.56 2rqe s GLN 88 CO -0.18 -0.03 0.00 -0.40 -0.50 0.00 0.00 175.29 174.18 2rqe n ASP 89 N -0.68 0.79 0.00 6.67 5.75 -1.26 -3.73 116.55 124.09 2rqe n ASP 89 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 2rqe n ASP 89 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 2rqe n ASP 89 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2rqe n ASN 90 N 0.00 0.00 -3.48 -1.12 4.05 -1.26 -4.68 115.26 108.77 2rqe n ASN 90 Ca 0.00 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.69 2rqe n ASN 90 Cb 0.00 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.04 2rqe n ASN 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2rqe n GLY 91 N 0.00 -0.18 3.18 8.20 0.00 -1.21 -4.90 105.19 110.28 2rqe n GLY 91 Ca 0.00 1.10 0.05 0.00 0.00 0.00 0.00 46.02 47.17 2rqe n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rqe s GLU 92 N -2.80 0.25 -0.16 1.61 2.12 -1.17 -4.41 118.70 114.14 2rqe s GLU 92 Ca 0.32 0.46 -0.05 0.00 0.36 0.00 0.00 54.97 56.05 2rqe s GLU 92 Cb -0.04 0.26 0.08 0.00 0.26 0.00 0.00 34.13 34.69 2rqe s GLU 92 CO 0.87 -0.24 0.32 -1.58 -0.54 0.00 0.00 175.26 174.09 2rqe s TRP 93 N 2.87 -0.58 0.08 5.30 0.51 0.11 -4.95 118.94 122.29 2rqe s TRP 93 Ca 0.02 1.16 -0.18 0.00 -2.12 0.00 0.00 56.10 54.98 2rqe s TRP 93 Cb -0.10 0.09 -0.07 0.00 -0.81 0.00 0.00 33.47 32.58 2rqe s TRP 93 CO -0.13 -0.42 0.55 0.99 -0.51 0.00 0.00 176.95 177.43 2rqe s THR 94 N 2.50 4.79 -0.07 2.01 2.01 -1.26 0.15 115.64 125.76 2rqe s THR 94 Ca 0.01 1.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.80 2rqe s THR 94 Cb -0.12 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 2rqe s THR 94 CO -0.10 0.48 1.19 -0.69 -0.69 0.00 0.00 174.62 174.81 2rqe s VAL 95 N -1.19 4.30 0.00 3.82 1.01 -1.00 -4.86 120.40 122.47 2rqe s VAL 95 Ca 0.31 1.62 0.03 0.00 0.00 0.00 0.00 61.98 63.93 2rqe s VAL 95 Cb -0.18 -4.04 0.05 0.00 0.00 0.00 0.00 36.38 32.21 2rqe s VAL 95 CO 0.18 -0.01 0.88 -0.62 0.00 0.00 0.00 175.10 175.53 2rqe n GLU 96 N 5.27 0.00 -3.44 2.72 1.02 -1.26 -3.05 120.64 121.90 2rqe n GLU 96 Ca 0.11 -0.84 -0.05 0.00 -0.02 0.00 0.00 57.16 56.36 2rqe n GLU 96 Cb 0.46 -0.22 -0.06 0.00 -0.02 0.00 0.00 31.44 31.60 2rqe n GLU 96 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2rqe s GLY 97 N -0.84 -0.57 0.70 0.62 0.00 -1.26 -5.06 107.32 100.91 2rqe s GLY 97 Ca 0.04 1.49 -0.05 0.00 0.00 0.00 0.00 44.72 46.21 2rqe s GLY 97 CO -0.02 2.80 0.99 -0.12 0.00 0.00 0.00 173.10 176.75 2rqe s PHE 98 N 2.68 2.53 -0.06 1.90 5.36 -1.26 0.25 117.98 129.39 2rqe s PHE 98 Ca 0.08 0.20 -0.29 0.00 -0.96 0.00 0.00 56.93 55.95 2rqe s PHE 98 Cb -0.14 -3.15 0.11 0.00 -0.34 0.00 0.00 43.02 39.50 2rqe s PHE 98 CO -0.16 -1.46 0.92 0.14 -1.46 0.00 0.00 175.22 173.19 2rqe s VAL 99 N -3.18 0.00 -0.13 3.12 -7.23 -0.83 -4.58 120.40 107.57 2rqe s VAL 99 Ca 0.62 0.00 -0.00 0.00 -1.81 0.00 0.00 61.98 60.78 2rqe s VAL 99 Cb -0.09 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 2rqe s VAL 99 CO 0.44 0.00 -0.12 1.51 -0.31 0.00 0.00 175.10 176.62 2rqe s ASP 100 N -2.01 4.10 -0.64 4.85 1.47 -1.26 -3.59 116.67 119.59 2rqe s ASP 100 Ca 0.02 -0.30 -0.01 0.00 1.18 0.00 0.00 52.55 53.44 2rqe s ASP 100 Cb -0.01 -1.61 0.48 0.00 -0.34 0.00 0.00 42.92 41.44 2rqe s ASP 100 CO -0.05 0.17 2.02 1.21 0.68 0.00 0.00 175.17 179.20 2rqe n GLU 101 N 3.49 2.63 0.00 2.11 2.13 -1.26 -5.06 120.64 124.68 2rqe n GLU 101 Ca -0.18 -3.26 0.00 0.00 0.66 0.00 0.00 57.16 54.38 2rqe n GLU 101 Cb 0.53 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.96 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72