#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqe s GLU 2 N 0.00 0.75 0.56 2.98 2.02 -1.26 -5.06 118.70 118.68 2rqe s GLU 2 Ca 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.00 2rqe s GLU 2 Cb 0.00 -0.64 0.00 0.00 0.10 0.00 0.00 34.13 33.59 2rqe s GLU 2 CO 0.00 -1.24 0.00 0.00 0.02 0.00 0.00 175.26 174.04 2rqe n ALA 3 N 3.92 -1.96 -1.24 5.21 0.00 -1.26 -4.18 120.51 121.00 2rqe n ALA 3 Ca 0.14 0.48 -0.31 0.00 0.00 0.00 0.00 53.44 53.75 2rqe n ALA 3 Cb 0.48 -1.45 0.10 0.00 0.00 0.00 0.00 19.45 18.58 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 -4.31 2.04 0.20 0.00 0.04 -1.26 -4.85 135.00 126.87 2rqe s PRO 4 Ca 0.00 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 2rqe s PRO 4 Cb 0.00 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 2rqe s PRO 4 CO 0.00 -1.77 1.30 -1.25 0.04 0.00 0.00 177.00 175.32 2rqe s PRO 5 N -4.91 4.40 0.05 0.56 0.04 -1.26 -4.96 135.00 128.92 2rqe s PRO 5 Ca 0.62 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 63.51 2rqe s PRO 5 Cb -0.17 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.11 2rqe s PRO 5 CO 0.56 -0.24 0.56 0.00 0.04 0.00 0.00 177.00 177.92 2rqe s ALA 6 N 0.07 3.58 -1.23 8.56 0.00 -1.26 -4.58 121.76 126.90 2rqe s ALA 6 Ca 0.56 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.41 2rqe s ALA 6 Cb -0.36 -2.63 0.17 0.00 0.00 0.00 0.00 23.12 20.29 2rqe s ALA 6 CO 0.38 0.36 1.55 2.41 0.00 0.00 0.00 175.76 180.46 2rqe n THR 7 N 1.91 4.27 -2.59 0.00 -1.04 0.13 -4.95 114.28 112.01 2rqe n THR 7 Ca -0.10 -4.64 -0.43 0.00 -2.04 0.00 0.00 64.05 56.84 2rqe n THR 7 Cb 0.51 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.56 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 1.20 3.70 0.00 -4.42 1.02 -1.26 -3.16 118.68 115.75 2rqe s LEU 8 Ca 0.42 0.62 0.00 0.00 0.02 0.00 0.00 54.13 55.19 2rqe s LEU 8 Cb 0.00 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.66 2rqe s LEU 8 CO 0.00 -1.19 0.00 -0.62 0.02 0.00 0.00 176.35 174.57 2rqe n GLU 9 N 7.65 2.41 -3.27 1.70 -0.58 -0.62 -4.75 120.64 123.18 2rqe n GLU 9 Ca 0.12 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.64 2rqe n GLU 9 Cb 0.48 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.28 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 -3.53 0.61 1.08 0.62 0.00 -1.24 -4.68 121.76 114.62 2rqe s ALA 10 Ca 0.00 -1.96 -0.15 0.00 0.00 0.00 0.00 51.96 49.85 2rqe s ALA 10 Cb 0.00 -1.83 0.23 0.00 0.00 0.00 0.00 23.12 21.52 2rqe s ALA 10 CO 0.00 -2.04 1.10 0.42 0.00 0.00 0.00 175.76 175.24 2rqe s ILE 11 N 0.33 1.87 1.15 0.00 -1.09 -1.26 -2.30 121.20 119.90 2rqe s ILE 11 Ca 0.31 0.00 -0.18 0.00 -2.23 0.00 0.00 60.65 58.55 2rqe s ILE 11 Cb 0.01 -2.48 0.18 0.00 -1.58 0.00 0.00 42.46 38.59 2rqe s ILE 11 CO -0.15 0.00 0.29 1.41 -1.23 0.00 0.00 174.94 175.26 2rqe n HIS 12 N -4.41 -1.81 0.49 3.97 8.25 -1.23 -4.65 115.22 115.82 2rqe n HIS 12 Ca 0.08 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2rqe n HIS 12 Cb 0.58 -1.52 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 -2.87 0.49 -0.72 -0.41 -0.04 -1.26 -2.43 135.00 127.76 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 32.89 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 0.28 0.86 -2.47 0.54 2.85 -1.26 -4.13 118.16 114.83 2rqe n LYS 14 Ca 0.00 -2.46 0.00 0.00 -1.05 0.00 0.00 58.31 54.80 2rqe n LYS 14 Cb 0.13 -0.99 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 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 -0.59 -1.32 3.47 2.58 0.00 -1.02 -4.14 105.19 104.18 2rqe n GLY 15 Ca 0.12 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 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 0.52 -0.00 0.99 2.96 -1.18 -4.10 118.68 117.86 2rqe s LEU 16 Ca 0.00 -0.82 0.04 0.00 -0.22 0.00 0.00 54.13 53.13 2rqe s LEU 16 Cb 0.00 1.60 -0.01 0.00 0.50 0.00 0.00 46.19 48.28 2rqe s LEU 16 CO 0.00 -1.02 -0.14 -0.60 -1.32 0.00 0.00 176.35 173.27 2rqe s ARG 17 N -3.97 1.10 -0.27 1.98 6.06 -1.26 -0.12 118.95 122.47 2rqe s ARG 17 Ca 0.18 -0.55 0.00 0.00 -2.50 0.00 0.00 55.73 52.86 2rqe s ARG 17 Cb 0.01 -1.07 0.16 0.00 0.06 0.00 0.00 34.95 34.10 2rqe s ARG 17 CO 0.03 0.29 0.43 0.08 -2.50 0.00 0.00 175.30 173.63 2rqe s VAL 18 N -0.43 -0.69 0.33 7.11 1.01 -0.28 -1.59 120.40 125.87 2rqe s VAL 18 Ca 0.05 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 61.96 2rqe s VAL 18 Cb -0.06 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 2rqe s VAL 18 CO -0.00 -0.17 -0.01 -0.55 0.00 0.00 0.00 175.10 174.37 2rqe s SER 19 N 2.60 4.14 0.02 3.32 0.15 -1.19 -2.31 113.70 120.43 2rqe s SER 19 Ca 0.12 -0.98 -0.05 0.00 0.70 0.00 0.00 55.95 55.74 2rqe s SER 19 Cb -0.14 -0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 63.64 2rqe s SER 19 CO -0.23 -0.21 0.08 0.68 1.20 0.00 0.00 173.24 174.76 2rqe s VAL 20 N -2.51 0.11 -0.05 4.45 -7.23 -0.39 0.20 120.40 114.98 2rqe s VAL 20 Ca 0.34 -0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 59.32 2rqe s VAL 20 Cb -0.01 -0.55 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 2rqe s VAL 20 CO 0.19 -0.49 1.49 -2.16 -0.31 0.00 0.00 175.10 173.82 2rqe s PRO 21 N -1.83 4.23 -0.87 4.82 0.04 -1.26 -1.94 135.00 138.19 2rqe s PRO 21 Ca -0.12 2.02 -0.24 0.00 0.04 0.00 0.00 61.00 62.70 2rqe s PRO 21 Cb -0.06 -3.77 0.05 0.00 0.04 0.00 0.00 34.50 30.76 2rqe s PRO 21 CO -0.01 -0.72 1.30 0.34 0.04 0.00 0.00 177.00 177.95 2rqe s ASP 22 N 2.51 6.35 -0.20 6.66 2.15 -1.26 -4.83 116.67 128.04 2rqe s ASP 22 Ca 0.66 -1.08 0.05 0.00 0.43 0.00 0.00 52.55 52.62 2rqe s ASP 22 Cb -0.31 -2.53 0.45 0.00 -0.30 0.00 0.00 42.92 40.23 2rqe s ASP 22 CO 0.26 -1.58 1.40 -0.62 -0.17 0.00 0.00 175.17 174.45 2rqe n GLU 23 N 8.71 2.55 0.00 4.34 -0.58 -1.26 -4.70 120.64 129.70 2rqe n GLU 23 Ca 0.17 -1.84 0.00 0.00 -0.42 0.00 0.00 57.16 55.07 2rqe n GLU 23 Cb 0.49 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 2rqe n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rqe n GLY 24 N -0.05 1.92 3.86 0.62 0.00 -1.26 -5.01 105.19 105.27 2rqe n GLY 24 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2rqe n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rqe s PHE 25 N -2.00 3.09 0.00 1.61 0.08 -1.26 -3.50 117.98 115.99 2rqe s PHE 25 Ca 0.00 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.06 2rqe s PHE 25 Cb 0.00 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 2rqe s PHE 25 CO 0.00 -1.50 0.05 0.45 -0.10 0.00 0.00 175.22 174.11 2rqe n SER 26 N -3.21 0.10 -3.62 1.36 2.88 0.32 -4.89 113.62 106.54 2rqe n SER 26 Ca 0.07 -0.41 -0.14 0.00 -1.33 0.00 0.00 58.87 57.07 2rqe n SER 26 Cb 0.58 0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 64.43 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 -0.92 -0.70 0.03 2.46 1.98 -1.22 -4.64 118.68 115.66 2rqe s LEU 27 Ca 0.00 1.32 0.03 0.00 -2.89 0.00 0.00 54.13 52.59 2rqe s LEU 27 Cb 0.00 2.39 -0.02 0.00 0.66 0.00 0.00 46.19 49.22 2rqe s LEU 27 CO 0.00 -0.26 -0.08 0.12 -1.89 0.00 0.00 176.35 174.24 2rqe s PHE 28 N 0.26 0.74 0.23 5.38 5.36 0.76 -1.88 117.98 128.83 2rqe s PHE 28 Ca -0.00 -0.33 0.05 0.00 -0.96 0.00 0.00 56.93 55.68 2rqe s PHE 28 Cb -0.05 -0.45 -0.05 0.00 -0.34 0.00 0.00 43.02 42.13 2rqe s PHE 28 CO 0.00 -0.03 -0.03 0.00 -1.46 0.00 0.00 175.22 173.70 2rqe s ALA 29 N -0.84 1.92 -0.21 11.12 0.00 0.20 0.11 121.76 134.05 2rqe s ALA 29 Ca -0.03 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.12 2rqe s ALA 29 Cb -0.07 0.35 0.11 0.00 0.00 0.00 0.00 23.12 23.51 2rqe s ALA 29 CO 0.00 -0.18 0.35 0.12 0.00 0.00 0.00 175.76 176.06 2rqe s PHE 30 N -3.29 -0.70 -0.33 0.00 2.19 0.70 -3.97 117.98 112.58 2rqe s PHE 30 Ca 0.27 0.94 0.02 0.00 0.33 0.00 0.00 56.93 58.50 2rqe s PHE 30 Cb 0.05 0.03 0.15 0.00 -1.31 0.00 0.00 43.02 41.94 2rqe s PHE 30 CO 0.09 -0.60 0.37 -1.58 1.83 0.00 0.00 175.22 175.33 2rqe s HIS 31 N 2.52 -0.56 0.19 10.12 2.46 -1.25 -0.55 115.29 128.22 2rqe s HIS 31 Ca 0.07 -0.35 0.00 0.00 0.47 0.00 0.00 55.06 55.26 2rqe s HIS 31 Cb -0.14 -0.34 -0.00 0.00 -0.13 0.00 0.00 32.58 31.97 2rqe s HIS 31 CO -0.14 -0.97 0.24 0.41 -2.47 0.00 0.00 174.74 171.81 2rqe n GLY 32 N 4.79 2.80 0.00 1.59 0.00 -1.26 -3.99 105.19 109.13 2rqe n GLY 32 Ca 0.05 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2rqe n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rqe n LYS 33 N -0.33 1.21 -3.95 1.61 5.02 -1.26 -0.65 118.16 119.82 2rqe n LYS 33 Ca 0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.21 2rqe n LYS 33 Cb 0.33 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.22 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 2.10 -0.98 -0.35 2.96 -1.26 -4.30 118.68 116.85 2rqe s LEU 34 Ca 0.00 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 2rqe s LEU 34 Cb 0.00 0.16 0.00 0.00 0.50 0.00 0.00 46.19 46.85 2rqe s LEU 34 CO 0.00 -0.25 0.00 0.59 -1.32 0.00 0.00 176.35 175.37 2rqe n ASN 35 N 1.86 -2.78 -3.62 3.68 5.03 -1.05 -4.84 115.26 113.53 2rqe n ASN 35 Ca -0.22 0.25 -0.09 0.00 0.87 0.00 0.00 54.58 55.39 2rqe n ASN 35 Cb 0.56 -2.62 -0.06 0.00 -1.02 0.00 0.00 39.78 36.63 2rqe n ASN 35 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2rqe s GLU 36 N -3.45 0.47 0.16 3.52 2.56 -1.26 -5.09 118.70 115.61 2rqe s GLU 36 Ca 0.00 0.39 0.06 0.00 0.00 0.00 0.00 54.97 55.43 2rqe s GLU 36 Cb 0.00 0.23 -0.04 0.00 2.00 0.00 0.00 34.13 36.32 2rqe s GLU 36 CO 0.00 -0.09 0.05 -1.83 -0.56 0.00 0.00 175.26 172.83 2rqe s GLU 37 N -0.21 2.59 0.56 4.30 -1.05 -1.26 -4.32 118.70 119.31 2rqe s GLU 37 Ca 0.02 -0.99 0.02 0.00 -0.15 0.00 0.00 54.97 53.87 2rqe s GLU 37 Cb -0.04 -2.48 0.11 0.00 -0.44 0.00 0.00 34.13 31.28 2rqe s GLU 37 CO -0.05 0.48 0.77 0.00 0.95 0.00 0.00 175.26 177.41 2rqe n MET 38 N -0.11 0.19 -3.57 -4.83 0.00 -1.26 -5.09 117.12 102.45 2rqe n MET 38 Ca -0.09 -2.29 -0.37 0.00 0.00 0.00 0.00 57.70 54.95 2rqe n MET 38 Cb 0.55 -0.45 -0.07 0.00 0.00 0.00 0.00 33.22 33.24 2rqe n MET 38 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2rqe s GLU 39 N -4.48 4.09 0.74 3.17 2.12 -1.26 -4.88 118.70 118.18 2rqe s GLU 39 Ca 0.53 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.98 2rqe s GLU 39 Cb -0.03 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 31.00 2rqe s GLU 39 CO 0.35 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.87 2rqe n GLY 40 N 2.92 0.44 2.86 -1.50 0.00 -1.26 -3.04 105.19 105.60 2rqe n GLY 40 Ca -0.13 0.36 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 2rqe n GLY 40 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2rqe s LEU 41 N 0.00 -1.11 0.00 0.99 0.05 -1.26 -5.03 118.68 112.31 2rqe s LEU 41 Ca 0.00 -1.56 0.00 0.00 0.05 0.00 0.00 54.13 52.62 2rqe s LEU 41 Cb 0.00 1.60 0.00 0.00 -2.05 0.00 0.00 46.19 45.74 2rqe s LEU 41 CO 0.00 -0.11 0.00 -1.84 -0.55 0.00 0.00 176.35 173.85 2rqe n GLU 42 N 3.48 1.87 -3.16 1.48 0.28 -1.17 -5.10 120.64 118.31 2rqe n GLU 42 Ca 0.16 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.73 2rqe n GLU 42 Cb 0.55 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.35 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 3.38 0.00 -1.84 0.00 -1.26 -4.94 121.76 115.10 2rqe s ALA 43 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.32 2rqe s ALA 43 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2rqe s ALA 43 CO 0.00 -1.94 0.00 0.41 0.00 0.00 0.00 175.76 174.23 2rqe n GLY 44 N 5.14 0.41 0.40 0.00 0.00 -1.26 -5.02 105.19 104.87 2rqe n GLY 44 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.57 1.61 8.25 -0.96 -4.98 115.22 118.58 2rqe n HIS 45 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 2rqe n HIS 45 Cb 0.00 -0.03 0.21 0.00 1.12 0.00 0.00 29.99 31.30 2rqe n HIS 45 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 2rqe n TRP 46 N -2.63 -1.61 -3.56 4.41 8.01 0.18 -4.89 117.44 117.35 2rqe n TRP 46 Ca -0.01 -0.04 0.01 0.00 -1.31 0.00 0.00 57.50 56.16 2rqe n TRP 46 Cb 0.03 -1.57 -0.06 0.00 -2.01 0.00 0.00 31.31 27.70 2rqe n TRP 46 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 2rqe s SER 47 N -2.09 -0.19 -0.15 -0.99 1.04 -1.17 -4.09 113.70 106.05 2rqe s SER 47 Ca 0.60 0.30 -0.31 0.00 0.48 0.00 0.00 55.95 57.01 2rqe s SER 47 Cb -0.16 1.11 0.13 0.00 0.10 0.00 0.00 66.02 67.21 2rqe s SER 47 CO 0.64 -0.05 1.10 -0.60 0.98 0.00 0.00 173.24 175.31 2rqe s ARG 48 N 1.34 0.47 -0.29 4.02 3.00 0.28 -4.96 118.95 122.81 2rqe s ARG 48 Ca -0.07 -0.06 -0.03 0.00 -1.00 0.00 0.00 55.73 54.58 2rqe s ARG 48 Cb -0.03 0.22 0.11 0.00 0.00 0.00 0.00 34.95 35.25 2rqe s ARG 48 CO -0.12 -0.18 0.18 -0.51 0.00 0.00 0.00 175.30 174.67 2rqe s ASP 49 N -1.76 2.95 -0.18 -2.12 1.11 -1.26 -0.21 116.67 115.20 2rqe s ASP 49 Ca 0.05 -1.12 -0.27 0.00 0.18 0.00 0.00 52.55 51.39 2rqe s ASP 49 Cb -0.01 -0.08 -0.01 0.00 1.07 0.00 0.00 42.92 43.89 2rqe s ASP 49 CO -0.04 -0.42 0.90 -0.63 1.18 0.00 0.00 175.17 176.15 2rqe s ILE 50 N 2.18 4.82 -0.45 0.77 -1.09 0.30 -4.92 121.20 122.81 2rqe s ILE 50 Ca 0.09 1.76 0.04 0.00 -2.23 0.00 0.00 60.65 60.31 2rqe s ILE 50 Cb -0.15 -4.19 0.47 0.00 -1.58 0.00 0.00 42.46 37.01 2rqe s ILE 50 CO -0.36 -0.04 1.60 0.35 -1.23 0.00 0.00 174.94 175.27 2rqe n THR 51 N 4.92 3.00 0.00 2.92 -2.24 -1.26 -0.17 114.28 121.45 2rqe n THR 51 Ca 0.07 -3.38 0.00 0.00 -2.27 0.00 0.00 64.05 58.47 2rqe n THR 51 Cb 0.48 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 2rqe n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2rqe n LYS 52 N -0.88 0.00 -1.32 -0.78 5.02 -1.26 -4.95 118.16 113.99 2rqe n LYS 52 Ca 0.50 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.48 2rqe n LYS 52 Cb 0.89 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.99 2rqe n LYS 52 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2rqe s PRO 53 N 0.00 2.32 -0.04 1.97 0.04 -1.26 -4.93 135.00 133.09 2rqe s PRO 53 Ca 0.00 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.22 2rqe s PRO 53 Cb 0.00 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.67 2rqe s PRO 53 CO 0.00 -1.60 0.10 -1.59 0.04 0.00 0.00 177.00 173.95 2rqe s LYS 54 N -4.80 0.05 -0.10 4.56 -2.85 0.39 -4.81 119.74 112.17 2rqe s LYS 54 Ca 0.62 0.26 0.00 0.00 -1.00 0.00 0.00 55.97 55.85 2rqe s LYS 54 Cb -0.18 -0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.43 2rqe s LYS 54 CO 0.54 -0.14 0.00 -1.71 0.10 0.00 0.00 175.35 174.14 2rqe n ASN 55 N 3.98 -3.21 0.00 0.03 5.15 -1.26 -3.19 115.26 116.76 2rqe n ASN 55 Ca -0.24 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 2rqe n ASN 55 Cb 0.53 -0.80 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 2rqe n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rqe n GLY 56 N -2.76 3.19 3.31 8.20 0.00 -1.26 -5.03 105.19 110.85 2rqe n GLY 56 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2rqe n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rqe s ARG 57 N -0.57 1.46 -0.65 1.61 3.03 -1.19 -4.10 118.95 118.54 2rqe s ARG 57 Ca 0.00 -1.81 -0.23 0.00 2.03 0.00 0.00 55.73 55.72 2rqe s ARG 57 Cb 0.00 -0.14 0.06 0.00 -1.03 0.00 0.00 34.95 33.84 2rqe s ARG 57 CO 0.00 -0.37 1.00 -1.58 -1.13 0.00 0.00 175.30 173.22 2rqe s TRP 58 N -3.74 2.65 -0.14 5.89 0.52 -0.82 -0.46 118.94 122.85 2rqe s TRP 58 Ca 0.37 -0.40 -0.07 0.00 0.02 0.00 0.00 56.10 56.02 2rqe s TRP 58 Cb 0.07 -4.29 -0.04 0.00 -1.15 0.00 0.00 33.47 28.06 2rqe s TRP 58 CO 0.15 -1.64 0.12 0.42 0.02 0.00 0.00 176.95 176.01 2rqe s ILE 59 N 4.23 5.30 0.03 2.03 1.01 -1.26 -1.26 121.20 131.28 2rqe s ILE 59 Ca 0.25 0.14 0.04 0.00 0.00 0.00 0.00 60.65 61.07 2rqe s ILE 59 Cb -0.15 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 2rqe s ILE 59 CO 0.12 0.57 -0.11 0.12 0.00 0.00 0.00 174.94 175.64 2rqe s PHE 60 N -0.60 0.98 -0.01 3.97 5.36 -0.98 -4.92 117.98 121.77 2rqe s PHE 60 Ca 0.12 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 2rqe s PHE 60 Cb -0.12 -0.59 0.02 0.00 -0.34 0.00 0.00 43.02 41.99 2rqe s PHE 60 CO 0.02 0.00 0.01 -0.98 -1.46 0.00 0.00 175.22 172.81 2rqe s ARG 61 N -0.98 0.06 0.55 10.12 3.03 -1.26 -1.12 118.95 129.35 2rqe s ARG 61 Ca -0.00 0.08 0.05 0.00 2.03 0.00 0.00 55.73 57.89 2rqe s ARG 61 Cb -0.07 -0.21 0.04 0.00 -1.03 0.00 0.00 34.95 33.67 2rqe s ARG 61 CO 0.01 -0.09 0.37 -0.51 -1.13 0.00 0.00 175.30 173.95 2rqe s ASP 62 N 0.62 4.57 0.00 -2.89 1.01 0.83 -4.94 116.67 115.87 2rqe s ASP 62 Ca -0.05 -1.32 0.00 0.00 0.71 0.00 0.00 52.55 51.88 2rqe s ASP 62 Cb -0.08 0.52 0.00 0.00 1.01 0.00 0.00 42.92 44.37 2rqe s ASP 62 CO -0.02 -1.12 0.94 -2.11 0.21 0.00 0.00 175.17 173.07 2rqe n ARG 63 N -1.74 0.00 -1.44 8.23 0.00 -1.26 -3.12 116.66 117.33 2rqe n ARG 63 Ca -0.04 -0.89 0.04 0.00 -0.00 0.00 0.00 57.85 56.97 2rqe n ARG 63 Cb 0.65 -0.45 0.04 0.00 -0.00 0.00 0.00 32.46 32.70 2rqe n ARG 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2rqe n ASN 64 N 0.00 1.10 -3.94 2.89 0.23 -1.26 -4.33 115.26 109.95 2rqe n ASN 64 Ca 0.00 -2.21 -0.30 0.00 -0.53 0.00 0.00 54.58 51.55 2rqe n ASN 64 Cb 0.68 -0.33 -0.12 0.00 -2.08 0.00 0.00 39.78 37.93 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 -0.45 3.72 -1.13 -2.53 0.00 -1.26 -4.88 121.76 115.23 2rqe s ALA 65 Ca 0.34 -3.67 -0.21 0.00 0.00 0.00 0.00 51.96 48.43 2rqe s ALA 65 Cb 0.39 -2.26 0.06 0.00 0.00 0.00 0.00 23.12 21.31 2rqe s ALA 65 CO -0.16 -2.08 1.56 0.00 0.00 0.00 0.00 175.76 175.08 2rqe s ALA 66 N -1.07 2.96 0.37 0.00 0.00 -1.26 -3.12 121.76 119.64 2rqe s ALA 66 Ca 0.23 -2.52 0.04 0.00 0.00 0.00 0.00 51.96 49.70 2rqe s ALA 66 Cb -0.11 -4.57 -0.06 0.00 0.00 0.00 0.00 23.12 18.38 2rqe s ALA 66 CO -0.11 -3.49 0.05 -0.48 0.00 0.00 0.00 175.76 171.73 2rqe s LEU 67 N 4.66 2.33 -0.26 0.00 2.34 -1.26 -4.96 118.68 121.53 2rqe s LEU 67 Ca 0.49 -1.44 -0.25 0.00 0.06 0.00 0.00 54.13 52.99 2rqe s LEU 67 Cb 0.02 -0.50 0.07 0.00 -0.56 0.00 0.00 46.19 45.22 2rqe s LEU 67 CO -0.03 -0.63 0.73 -1.59 -1.06 0.00 0.00 176.35 173.77 2rqe s LYS 68 N -3.83 0.84 -0.11 1.48 0.00 -1.26 -4.22 119.74 112.65 2rqe s LYS 68 Ca 0.32 0.94 -0.10 0.00 0.00 0.00 0.00 55.97 57.14 2rqe s LYS 68 Cb 0.08 0.41 -0.04 0.00 0.00 0.00 0.00 37.83 38.27 2rqe s LYS 68 CO 0.15 -0.11 0.36 -0.89 0.00 0.00 0.00 175.35 174.86 2rqe n ILE 69 N 2.57 0.00 0.00 3.79 2.08 -1.26 -2.19 119.36 124.36 2rqe n ILE 69 Ca -0.14 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.17 2rqe n ILE 69 Cb 0.55 -0.11 0.00 0.00 -0.75 0.00 0.00 39.64 39.33 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 1.00 1.93 2.59 7.39 0.00 -1.20 -5.08 105.19 111.82 2rqe n GLY 70 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2rqe n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rqe n ASP 71 N 0.00 -0.45 -3.99 1.61 8.00 -0.93 -4.84 116.55 115.95 2rqe n ASP 71 Ca 0.00 -1.23 -0.09 0.00 0.71 0.00 0.00 54.79 54.19 2rqe n ASP 71 Cb 0.00 -0.70 -0.08 0.00 -0.02 0.00 0.00 41.12 40.32 2rqe n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2rqe s LYS 72 N -4.92 0.85 0.01 -1.24 1.02 -1.26 -1.79 119.74 112.40 2rqe s LYS 72 Ca 0.51 -1.15 0.01 0.00 0.02 0.00 0.00 55.97 55.36 2rqe s LYS 72 Cb -0.02 0.30 -0.01 0.00 -0.52 0.00 0.00 37.83 37.57 2rqe s LYS 72 CO 0.37 -0.25 -0.03 0.42 -0.92 0.00 0.00 175.35 174.94 2rqe s ILE 73 N -3.93 0.17 -0.27 2.17 1.01 0.43 -2.54 121.20 118.25 2rqe s ILE 73 Ca 0.11 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 2rqe s ILE 73 Cb 0.06 -0.24 0.12 0.00 0.01 0.00 0.00 42.46 42.41 2rqe s ILE 73 CO -0.07 -0.25 0.26 -0.31 0.00 0.00 0.00 174.94 174.58 2rqe s TYR 74 N -0.83 -0.36 0.00 3.97 1.51 -1.26 -0.12 117.35 120.26 2rqe s TYR 74 Ca -0.08 -0.10 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 2rqe s TYR 74 Cb -0.06 -0.46 0.00 0.00 -0.11 0.00 0.00 41.96 41.33 2rqe s TYR 74 CO -0.00 -0.82 0.00 1.97 -1.11 0.00 0.00 175.55 175.58 2rqe n PHE 75 N 5.31 0.00 -4.02 2.71 -1.74 -1.26 -4.07 117.46 114.39 2rqe n PHE 75 Ca -0.03 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.75 2rqe n PHE 75 Cb 0.47 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.43 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 -2.47 0.60 0.06 2.97 1.48 -1.26 -3.14 118.94 117.19 2rqe s TRP 76 Ca 0.00 -0.95 -0.04 0.00 -1.06 0.00 0.00 56.10 54.05 2rqe s TRP 76 Cb 0.00 0.14 -0.02 0.00 -1.16 0.00 0.00 33.47 32.42 2rqe s TRP 76 CO 0.00 -1.09 0.07 0.95 -4.06 0.00 0.00 176.95 172.82 2rqe s THR 77 N -3.52 0.17 0.04 0.66 -4.23 -1.25 -3.81 115.64 103.70 2rqe s THR 77 Ca 0.25 -1.44 0.08 0.00 -1.18 0.00 0.00 61.69 59.40 2rqe s THR 77 Cb -0.01 -1.31 -0.03 0.00 1.34 0.00 0.00 72.50 72.50 2rqe s THR 77 CO 0.13 -0.79 -0.22 0.12 -0.54 0.00 0.00 174.62 173.31 2rqe s PHE 78 N -3.58 2.44 0.21 3.99 5.36 -1.25 -1.17 117.98 123.96 2rqe s PHE 78 Ca 0.03 -0.34 -0.05 0.00 -0.96 0.00 0.00 56.93 55.62 2rqe s PHE 78 Cb 0.05 -1.43 -0.03 0.00 -0.34 0.00 0.00 43.02 41.27 2rqe s PHE 78 CO -0.09 0.18 0.23 0.14 -1.46 0.00 0.00 175.22 174.22 2rqe s VAL 79 N -0.85 0.01 -0.32 3.12 -7.23 -0.85 -0.63 120.40 113.65 2rqe s VAL 79 Ca 0.13 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 2rqe s VAL 79 Cb -0.10 -2.36 0.15 0.00 0.56 0.00 0.00 36.38 34.62 2rqe s VAL 79 CO 0.03 -0.04 0.33 -0.63 -0.31 0.00 0.00 175.10 174.49 2rqe s ILE 80 N -4.10 -0.38 -0.04 -0.62 1.01 -0.79 -1.54 121.20 114.74 2rqe s ILE 80 Ca 0.32 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2rqe s ILE 80 Cb 0.05 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 2rqe s ILE 80 CO 0.10 -0.51 -0.15 -0.75 0.00 0.00 0.00 174.94 173.63 2rqe s LYS 81 N 1.99 2.43 -1.02 2.79 2.36 -1.26 0.12 119.74 127.15 2rqe s LYS 81 Ca 0.12 -0.74 0.00 0.00 -2.55 0.00 0.00 55.97 52.80 2rqe s LYS 81 Cb -0.14 -2.34 0.00 0.00 -1.05 0.00 0.00 37.83 34.30 2rqe s LYS 81 CO -0.21 0.61 0.00 -0.25 1.55 0.00 0.00 175.35 177.05 2rqe n ASP 82 N 2.22 -3.44 -2.29 1.43 9.92 -1.23 -0.00 116.55 123.16 2rqe n ASP 82 Ca -0.17 0.24 -0.21 0.00 -0.53 0.00 0.00 54.79 54.12 2rqe n ASP 82 Cb 0.52 -3.03 -0.02 0.00 -0.64 0.00 0.00 41.12 37.96 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 -0.61 -0.27 0.14 0.44 0.00 -1.26 -4.88 105.19 98.74 2rqe n GLY 83 Ca -0.13 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.91 2.00 0.00 0.99 4.77 0.99 -5.12 117.00 117.72 2rqe n LEU 84 Ca -0.24 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2rqe n LEU 84 Cb 0.69 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2rqe n LEU 84 CO 0.29 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2rqe n GLY 85 N 1.31 -0.59 3.16 -0.72 0.00 -1.25 -4.95 105.19 102.16 2rqe n GLY 85 Ca -0.52 -1.22 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 2rqe n GLY 85 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rqe n TYR 86 N 1.24 -1.15 -3.64 1.61 4.02 -0.59 -4.91 117.16 113.73 2rqe n TYR 86 Ca 0.00 -2.42 -0.03 0.00 -0.01 0.00 0.00 57.90 55.44 2rqe n TYR 86 Cb 0.00 0.43 -0.07 0.00 -0.02 0.00 0.00 39.34 39.68 2rqe n TYR 86 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2rqe s ARG 87 N -2.97 0.29 0.54 -0.72 3.00 -1.26 -2.00 118.95 115.83 2rqe s ARG 87 Ca 0.32 0.45 -0.16 0.00 -1.00 0.00 0.00 55.73 55.34 2rqe s ARG 87 Cb 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 34.95 34.97 2rqe s ARG 87 CO 0.23 -0.05 1.01 -1.14 0.00 0.00 0.00 175.30 175.34 2rqe s GLN 88 N 0.91 3.77 0.00 5.12 2.00 -0.32 -4.32 119.66 126.82 2rqe s GLN 88 Ca -0.05 0.99 0.00 0.00 -2.00 0.00 0.00 55.36 54.30 2rqe s GLN 88 Cb -0.04 -2.11 0.00 0.00 0.80 0.00 0.00 33.01 31.67 2rqe s GLN 88 CO -0.12 -0.42 0.00 -0.40 -0.50 0.00 0.00 175.29 173.84 2rqe n ASP 89 N -1.81 0.00 0.00 6.67 5.75 -1.26 -3.86 116.55 122.03 2rqe n ASP 89 Ca 0.07 -0.34 0.00 0.00 -0.01 0.00 0.00 54.79 54.51 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 -0.97 0.00 -3.50 -1.12 2.85 -1.26 -4.68 115.26 106.57 2rqe n ASN 90 Ca 0.00 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.13 2rqe n ASN 90 Cb 0.00 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.05 2rqe n ASN 90 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rqe n GLY 91 N 0.00 -0.21 3.15 8.20 0.00 -1.19 -4.90 105.19 110.25 2rqe n GLY 91 Ca 0.00 1.08 0.05 0.00 0.00 0.00 0.00 46.02 47.15 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 -2.88 0.27 -0.23 1.61 2.12 -1.19 -4.40 118.70 114.00 2rqe s GLU 92 Ca 0.31 0.46 -0.04 0.00 0.36 0.00 0.00 54.97 56.06 2rqe s GLU 92 Cb -0.04 0.25 0.12 0.00 0.26 0.00 0.00 34.13 34.73 2rqe s GLU 92 CO 0.87 -0.32 0.38 -1.58 -0.54 0.00 0.00 175.26 174.07 2rqe s TRP 93 N 2.93 -0.79 -0.05 5.30 0.51 0.83 -4.97 118.94 122.70 2rqe s TRP 93 Ca 0.06 0.99 -0.23 0.00 -2.12 0.00 0.00 56.10 54.80 2rqe s TRP 93 Cb -0.11 0.08 -0.04 0.00 -0.81 0.00 0.00 33.47 32.59 2rqe s TRP 93 CO -0.14 -0.64 0.69 0.99 -0.51 0.00 0.00 176.95 177.33 2rqe s THR 94 N 2.55 5.01 -0.10 2.01 2.01 -1.26 -0.43 115.64 125.43 2rqe s THR 94 Ca 0.09 1.42 -0.29 0.00 0.31 0.00 0.00 61.69 63.22 2rqe s THR 94 Cb -0.14 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 2rqe s THR 94 CO -0.15 0.28 1.94 -0.69 -0.69 0.00 0.00 174.62 175.31 2rqe s VAL 95 N 0.61 3.21 -0.02 3.82 1.01 -0.74 -4.80 120.40 123.49 2rqe s VAL 95 Ca 0.36 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.62 2rqe s VAL 95 Cb -0.18 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.04 2rqe s VAL 95 CO 0.18 -0.07 0.86 -0.62 0.00 0.00 0.00 175.10 175.44 2rqe n GLU 96 N 7.88 0.63 -3.98 2.72 1.02 -1.26 -3.25 120.64 124.40 2rqe n GLU 96 Ca 0.22 -1.15 -0.21 0.00 -0.02 0.00 0.00 57.16 56.00 2rqe n GLU 96 Cb 0.43 -0.73 -0.06 0.00 -0.02 0.00 0.00 31.44 31.07 2rqe n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rqe n GLY 97 N -0.30 3.40 3.33 0.62 0.00 -1.26 -5.06 105.19 105.92 2rqe n GLY 97 Ca 0.02 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 2rqe n GLY 97 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2rqe s PHE 98 N -2.80 -0.29 0.13 1.61 5.36 -1.26 -3.74 117.98 116.99 2rqe s PHE 98 Ca 0.17 0.22 -0.26 0.00 -0.96 0.00 0.00 56.93 56.10 2rqe s PHE 98 Cb 0.01 0.25 0.07 0.00 -0.34 0.00 0.00 43.02 43.01 2rqe s PHE 98 CO 0.12 -0.60 0.95 0.14 -1.46 0.00 0.00 175.22 174.36 2rqe s VAL 99 N -2.67 0.00 -0.03 3.12 -7.23 -0.97 -4.61 120.40 108.01 2rqe s VAL 99 Ca -0.04 -0.56 0.01 0.00 -1.81 0.00 0.00 61.98 59.59 2rqe s VAL 99 Cb -0.00 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 35.11 2rqe s VAL 99 CO -0.04 0.00 -0.04 -1.81 -0.31 0.00 0.00 175.10 172.90 2rqe s ASP 100 N -2.87 0.75 -0.17 4.85 1.11 -1.26 -3.53 116.67 115.55 2rqe s ASP 100 Ca 0.11 -0.10 -0.00 0.00 0.18 0.00 0.00 52.55 52.73 2rqe s ASP 100 Cb -0.01 -0.26 0.12 0.00 1.07 0.00 0.00 42.92 43.83 2rqe s ASP 100 CO 0.00 -0.01 1.98 1.21 1.18 0.00 0.00 175.17 179.54 2rqe n GLU 101 N 3.60 1.43 0.00 8.23 2.13 -1.26 -5.05 120.64 129.73 2rqe n GLU 101 Ca -0.21 -0.85 0.00 0.00 0.66 0.00 0.00 57.16 56.76 2rqe n GLU 101 Cb 0.54 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.91 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72