#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 1.31 -1.73 2.98 1.02 -1.26 -5.00 120.64 117.96 2rqe n GLU 2 Ca 0.00 -3.95 0.00 0.00 -0.02 0.00 0.00 57.16 53.19 2rqe n GLU 2 Cb 0.00 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 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 1.92 -1.99 -1.19 0.62 0.00 -1.26 -4.28 120.51 114.33 2rqe n ALA 3 Ca 0.25 0.50 -0.29 0.00 0.00 0.00 0.00 53.44 53.89 2rqe n ALA 3 Cb 0.43 -1.49 0.16 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.69 0.81 0.19 0.00 0.04 -1.26 -4.86 135.00 126.23 2rqe s PRO 4 Ca 0.00 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 2rqe s PRO 4 Cb 0.00 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 2rqe s PRO 4 CO 0.00 -2.51 1.31 -1.25 0.04 0.00 0.00 177.00 174.60 2rqe s PRO 5 N -4.95 4.39 0.08 0.56 0.04 -1.26 -4.96 135.00 128.89 2rqe s PRO 5 Ca 0.64 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.50 2rqe s PRO 5 Cb -0.18 -3.20 -0.07 0.00 0.04 0.00 0.00 34.50 31.09 2rqe s PRO 5 CO 0.57 -0.26 0.68 0.00 0.04 0.00 0.00 177.00 178.03 2rqe s ALA 6 N 0.20 3.48 -1.18 8.56 0.00 -1.26 -4.59 121.76 126.96 2rqe s ALA 6 Ca 0.57 0.19 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 2rqe s ALA 6 Cb -0.36 -2.84 0.22 0.00 0.00 0.00 0.00 23.12 20.14 2rqe s ALA 6 CO 0.37 0.25 1.42 2.41 0.00 0.00 0.00 175.76 180.21 2rqe n THR 7 N 2.11 4.50 -2.46 0.00 -1.04 0.12 -4.97 114.28 112.54 2rqe n THR 7 Ca -0.06 -5.02 -0.42 0.00 -2.04 0.00 0.00 64.05 56.50 2rqe n THR 7 Cb 0.50 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.55 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 -0.11 3.52 0.00 -4.42 1.02 -1.26 -2.77 118.68 114.66 2rqe s LEU 8 Ca 0.37 0.47 -0.05 0.00 0.02 0.00 0.00 54.13 54.93 2rqe s LEU 8 Cb -0.02 -3.34 0.07 0.00 0.02 0.00 0.00 46.19 42.92 2rqe s LEU 8 CO -0.01 -1.48 0.44 -0.62 0.02 0.00 0.00 176.35 174.70 2rqe n GLU 9 N 8.25 -0.41 -3.66 1.70 -0.58 0.76 -4.72 120.64 121.98 2rqe n GLU 9 Ca 0.13 -0.70 -0.28 0.00 -0.42 0.00 0.00 57.16 55.90 2rqe n GLU 9 Cb 0.49 -0.45 -0.11 0.00 -0.57 0.00 0.00 31.44 30.79 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 -3.96 2.57 1.03 0.62 0.00 -1.25 -4.44 121.76 116.33 2rqe s ALA 10 Ca 0.25 -3.08 -0.14 0.00 0.00 0.00 0.00 51.96 48.98 2rqe s ALA 10 Cb -0.01 -1.89 0.20 0.00 0.00 0.00 0.00 23.12 21.43 2rqe s ALA 10 CO 0.18 -2.04 1.13 0.42 0.00 0.00 0.00 175.76 175.44 2rqe s ILE 11 N -0.57 1.90 1.16 0.00 -1.09 -1.26 -2.43 121.20 118.91 2rqe s ILE 11 Ca 0.27 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.52 2rqe s ILE 11 Cb -0.04 -2.60 0.18 0.00 -1.58 0.00 0.00 42.46 38.43 2rqe s ILE 11 CO -0.16 0.00 0.33 1.41 -1.23 0.00 0.00 174.94 175.29 2rqe n HIS 12 N -4.19 -1.77 0.49 3.97 8.25 -1.25 -4.65 115.22 116.07 2rqe n HIS 12 Ca 0.08 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2rqe n HIS 12 Cb 0.59 -1.54 0.00 0.00 1.12 0.00 0.00 29.99 30.16 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 -3.02 0.49 -0.31 -0.41 -0.04 -1.26 -2.31 135.00 128.14 2rqe n PRO 13 Ca 0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.55 2rqe n PRO 13 Cb 0.57 -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 0.26 0.94 -3.08 0.54 2.85 -1.24 -4.23 118.16 114.20 2rqe n LYS 14 Ca 0.00 -2.25 0.00 0.00 -1.05 0.00 0.00 58.31 55.01 2rqe n LYS 14 Cb 0.12 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 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 -0.95 -1.80 3.47 2.58 0.00 0.34 -4.14 105.19 104.70 2rqe n GLY 15 Ca 0.12 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 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 0.54 -0.01 0.99 2.96 -1.24 -4.09 118.68 117.83 2rqe s LEU 16 Ca 0.00 -0.88 0.03 0.00 -0.22 0.00 0.00 54.13 53.06 2rqe s LEU 16 Cb 0.00 1.55 -0.01 0.00 0.50 0.00 0.00 46.19 48.23 2rqe s LEU 16 CO 0.00 -1.03 -0.09 -0.60 -1.32 0.00 0.00 176.35 173.31 2rqe s ARG 17 N -3.99 0.78 -0.23 1.98 3.52 -1.26 -0.25 118.95 119.50 2rqe s ARG 17 Ca 0.20 -0.32 -0.03 0.00 -0.13 0.00 0.00 55.73 55.45 2rqe s ARG 17 Cb 0.01 -0.75 0.12 0.00 -1.56 0.00 0.00 34.95 32.77 2rqe s ARG 17 CO 0.05 0.18 0.31 0.08 -0.81 0.00 0.00 175.30 175.11 2rqe s VAL 18 N -0.14 -0.48 0.25 7.11 1.01 -0.47 -0.17 120.40 127.51 2rqe s VAL 18 Ca 0.02 -0.14 0.12 0.00 0.00 0.00 0.00 61.98 61.98 2rqe s VAL 18 Cb -0.04 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 2rqe s VAL 18 CO -0.00 -0.20 -0.21 -0.55 0.00 0.00 0.00 175.10 174.14 2rqe s SER 19 N 2.44 3.56 0.02 3.32 0.15 -1.11 -1.78 113.70 120.29 2rqe s SER 19 Ca 0.10 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.79 2rqe s SER 19 Cb -0.15 -0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 63.84 2rqe s SER 19 CO -0.17 0.07 -0.03 0.68 1.20 0.00 0.00 173.24 174.99 2rqe s VAL 20 N -2.21 0.10 -0.05 4.45 -7.23 -0.65 0.15 120.40 114.96 2rqe s VAL 20 Ca 0.27 -0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 59.29 2rqe s VAL 20 Cb -0.06 -0.25 -0.05 0.00 0.56 0.00 0.00 36.38 36.59 2rqe s VAL 20 CO 0.13 -0.47 1.49 -2.16 -0.31 0.00 0.00 175.10 173.78 2rqe s PRO 21 N -1.37 4.23 -0.73 4.82 0.04 -1.26 -2.24 135.00 138.48 2rqe s PRO 21 Ca -0.15 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 2rqe s PRO 21 Cb -0.09 -3.77 0.09 0.00 0.04 0.00 0.00 34.50 30.76 2rqe s PRO 21 CO -0.01 -0.71 1.01 0.34 0.04 0.00 0.00 177.00 177.67 2rqe s ASP 22 N 2.49 6.29 0.00 6.66 2.15 -1.26 -4.84 116.67 128.16 2rqe s ASP 22 Ca 0.66 -1.28 0.31 0.00 0.43 0.00 0.00 52.55 52.67 2rqe s ASP 22 Cb -0.31 -2.41 1.72 0.00 -0.30 0.00 0.00 42.92 41.62 2rqe s ASP 22 CO 0.26 -1.34 2.12 1.21 -0.17 0.00 0.00 175.17 177.25 2rqe n GLU 23 N 7.41 1.12 0.00 4.34 2.13 -1.26 -4.69 120.64 129.69 2rqe n GLU 23 Ca 0.04 -0.17 0.00 0.00 0.66 0.00 0.00 57.16 57.69 2rqe n GLU 23 Cb 0.46 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.69 2rqe n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rqe n GLY 24 N 1.02 0.15 3.91 8.31 0.00 -1.26 -5.09 105.19 112.23 2rqe n GLY 24 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.16 3.07 0.00 1.61 0.40 -1.26 -3.80 117.98 117.85 2rqe s PHE 25 Ca 0.00 0.73 0.00 0.00 -0.60 0.00 0.00 56.93 57.06 2rqe s PHE 25 Cb 0.00 -3.21 0.00 0.00 0.51 0.00 0.00 43.02 40.32 2rqe s PHE 25 CO 0.00 -1.41 0.00 0.45 0.70 0.00 0.00 175.22 174.96 2rqe n SER 26 N -3.04 0.29 -3.70 1.36 2.88 0.19 -4.91 113.62 106.69 2rqe n SER 26 Ca 0.07 -0.29 -0.14 0.00 -1.33 0.00 0.00 58.87 57.18 2rqe n SER 26 Cb 0.59 0.64 -0.09 0.00 -0.75 0.00 0.00 64.21 64.61 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 -1.34 0.21 0.01 2.46 1.98 -1.22 -4.49 118.68 116.29 2rqe s LEU 27 Ca 0.00 0.79 0.00 0.00 -2.89 0.00 0.00 54.13 52.03 2rqe s LEU 27 Cb 0.00 1.67 -0.01 0.00 0.66 0.00 0.00 46.19 48.51 2rqe s LEU 27 CO 0.00 -0.26 -0.02 0.12 -1.89 0.00 0.00 176.35 174.30 2rqe s PHE 28 N -0.16 0.21 0.24 5.38 5.36 0.22 -1.89 117.98 127.34 2rqe s PHE 28 Ca -0.03 -0.24 0.06 0.00 -0.96 0.00 0.00 56.93 55.76 2rqe s PHE 28 Cb -0.03 -0.14 -0.05 0.00 -0.34 0.00 0.00 43.02 42.45 2rqe s PHE 28 CO 0.02 -0.07 -0.06 0.00 -1.46 0.00 0.00 175.22 173.64 2rqe s ALA 29 N -0.64 2.08 -0.22 11.12 0.00 0.97 0.22 121.76 135.29 2rqe s ALA 29 Ca -0.06 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.07 2rqe s ALA 29 Cb -0.05 0.20 0.11 0.00 0.00 0.00 0.00 23.12 23.38 2rqe s ALA 29 CO -0.00 -0.09 0.38 0.12 0.00 0.00 0.00 175.76 176.16 2rqe s PHE 30 N -3.13 -0.77 -0.33 0.00 2.19 -0.38 -3.95 117.98 111.61 2rqe s PHE 30 Ca 0.27 1.08 0.01 0.00 0.33 0.00 0.00 56.93 58.62 2rqe s PHE 30 Cb 0.03 0.11 0.15 0.00 -1.31 0.00 0.00 43.02 41.99 2rqe s PHE 30 CO 0.09 -0.60 0.33 -1.58 1.83 0.00 0.00 175.22 175.30 2rqe s HIS 31 N 2.55 -0.37 0.15 10.12 2.46 -1.24 -1.54 115.29 127.41 2rqe s HIS 31 Ca 0.06 -0.50 0.00 0.00 0.47 0.00 0.00 55.06 55.10 2rqe s HIS 31 Cb -0.14 -0.44 -0.00 0.00 -0.13 0.00 0.00 32.58 31.87 2rqe s HIS 31 CO -0.14 -0.94 0.19 0.41 -2.47 0.00 0.00 174.74 171.79 2rqe n GLY 32 N 4.78 2.94 0.00 1.59 0.00 -1.26 -3.86 105.19 109.38 2rqe n GLY 32 Ca 0.05 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.26 0.59 -4.19 1.61 5.02 -1.26 -1.63 118.16 118.04 2rqe n LYS 33 Ca 0.01 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.08 2rqe n LYS 33 Cb 0.26 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.11 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 1.31 -1.47 -0.35 1.98 -1.26 -4.31 118.68 114.57 2rqe s LEU 34 Ca 0.00 -0.19 -0.05 0.00 -2.89 0.00 0.00 54.13 51.00 2rqe s LEU 34 Cb 0.00 -0.60 0.02 0.00 0.66 0.00 0.00 46.19 46.27 2rqe s LEU 34 CO 0.00 -0.06 0.45 0.59 -1.89 0.00 0.00 176.35 175.44 2rqe n ASN 35 N 4.24 -5.29 -3.67 3.68 3.02 -0.85 -4.96 115.26 111.42 2rqe n ASN 35 Ca -0.21 -0.23 -0.10 0.00 -0.03 0.00 0.00 54.58 54.02 2rqe n ASN 35 Cb 0.51 -4.33 -0.09 0.00 -0.61 0.00 0.00 39.78 35.26 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 -5.64 0.56 -0.08 3.52 2.56 -1.26 -5.10 118.70 113.26 2rqe s GLU 36 Ca 0.26 0.97 -0.08 0.00 0.00 0.00 0.00 54.97 56.12 2rqe s GLU 36 Cb -0.12 0.09 -0.04 0.00 2.00 0.00 0.00 34.13 36.06 2rqe s GLU 36 CO 0.32 -0.14 0.20 -1.83 -0.56 0.00 0.00 175.26 173.25 2rqe s GLU 37 N 1.33 3.54 0.78 4.30 -1.05 -1.26 -4.29 118.70 122.05 2rqe s GLU 37 Ca -0.08 -0.04 -0.10 0.00 -0.15 0.00 0.00 54.97 54.60 2rqe s GLU 37 Cb -0.06 -3.18 0.17 0.00 -0.44 0.00 0.00 34.13 30.62 2rqe s GLU 37 CO -0.14 0.75 1.07 -1.33 0.95 0.00 0.00 175.26 176.56 2rqe n MET 38 N 1.83 -0.81 -3.70 -4.83 2.81 -1.26 -5.11 117.12 106.06 2rqe n MET 38 Ca -0.18 -1.93 -0.15 0.00 -1.81 0.00 0.00 57.70 53.63 2rqe n MET 38 Cb 0.54 -1.01 -0.15 0.00 -0.71 0.00 0.00 33.22 31.90 2rqe n MET 38 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2rqe s GLU 39 N -5.29 0.09 -0.99 0.03 2.12 -1.26 -4.88 118.70 108.52 2rqe s GLU 39 Ca 0.63 0.52 -0.06 0.00 0.36 0.00 0.00 54.97 56.41 2rqe s GLU 39 Cb -0.02 -0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.18 2rqe s GLU 39 CO 0.43 -0.24 0.86 0.41 -0.54 0.00 0.00 175.26 176.19 2rqe n GLY 40 N 4.83 -0.15 3.21 -1.50 0.00 -1.26 -4.11 105.19 106.21 2rqe n GLY 40 Ca -0.15 0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 2rqe n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rqe n LEU 41 N -3.78 -3.69 0.00 0.99 4.77 -1.26 -5.01 117.00 109.01 2rqe n LEU 41 Ca -0.01 0.37 -0.22 0.00 -0.03 0.00 0.00 56.01 56.12 2rqe n LEU 41 Cb 0.55 -1.70 -0.06 0.00 -2.33 0.00 0.00 43.42 39.88 2rqe n LEU 41 CO 0.48 -1.30 -0.14 -1.84 -1.33 0.00 0.00 177.39 173.25 2rqe n GLU 42 N 1.00 0.71 -2.84 3.23 0.28 -1.26 -5.10 120.64 116.66 2rqe n GLU 42 Ca -0.01 -2.88 -0.43 0.00 -0.16 0.00 0.00 57.16 53.68 2rqe n GLU 42 Cb 0.50 1.41 -0.04 0.00 1.43 0.00 0.00 31.44 34.75 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 -2.88 3.12 0.00 -1.84 0.00 -1.26 -4.96 121.76 113.94 2rqe s ALA 43 Ca 0.14 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2rqe s ALA 43 Cb 0.01 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2rqe s ALA 43 CO 0.10 -2.65 0.00 0.41 0.00 0.00 0.00 175.76 173.62 2rqe n GLY 44 N 5.26 -3.29 0.25 0.00 0.00 -1.26 -4.96 105.19 101.18 2rqe n GLY 44 Ca -0.02 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 2rqe n GLY 44 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2rqe n HIS 45 N 0.00 0.00 -1.02 1.61 -0.00 -1.05 -4.98 115.22 109.77 2rqe n HIS 45 Ca 0.00 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.89 2rqe n HIS 45 Cb 0.00 -0.63 0.22 0.00 -0.12 0.00 0.00 29.99 29.46 2rqe n HIS 45 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2rqe s TRP 46 N -2.62 1.29 -0.30 1.57 0.51 -0.65 -4.96 118.94 113.79 2rqe s TRP 46 Ca -0.29 0.80 -0.18 0.00 -2.12 0.00 0.00 56.10 54.31 2rqe s TRP 46 Cb 0.08 -3.29 0.19 0.00 -0.81 0.00 0.00 33.47 29.63 2rqe s TRP 46 CO 0.39 -3.50 1.21 -1.54 -0.51 0.00 0.00 176.95 173.00 2rqe s SER 47 N -3.49 -0.19 0.09 2.95 1.04 -1.22 -4.33 113.70 108.55 2rqe s SER 47 Ca 0.68 0.23 -0.26 0.00 0.48 0.00 0.00 55.95 57.08 2rqe s SER 47 Cb -0.16 1.20 0.08 0.00 0.10 0.00 0.00 66.02 67.24 2rqe s SER 47 CO 0.58 -0.04 0.80 -0.60 0.98 0.00 0.00 173.24 174.96 2rqe s ARG 48 N 2.29 1.09 -0.23 4.02 3.00 -0.59 -5.00 118.95 123.52 2rqe s ARG 48 Ca -0.01 -0.46 -0.03 0.00 -1.00 0.00 0.00 55.73 54.23 2rqe s ARG 48 Cb -0.03 0.46 0.10 0.00 0.00 0.00 0.00 34.95 35.48 2rqe s ARG 48 CO -0.15 -0.48 0.21 -0.51 0.00 0.00 0.00 175.30 174.37 2rqe s ASP 49 N -2.66 1.81 -0.54 -2.12 1.01 -1.26 -1.25 116.67 111.66 2rqe s ASP 49 Ca 0.05 -0.51 -0.22 0.00 0.71 0.00 0.00 52.55 52.58 2rqe s ASP 49 Cb -0.01 0.26 0.05 0.00 1.01 0.00 0.00 42.92 44.23 2rqe s ASP 49 CO -0.07 -0.36 0.79 -0.63 0.21 0.00 0.00 175.17 175.11 2rqe s ILE 50 N 2.29 4.62 -0.51 0.77 -1.09 0.59 -4.90 121.20 122.96 2rqe s ILE 50 Ca 0.07 -0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 2rqe s ILE 50 Cb -0.15 -4.44 0.56 0.00 -1.58 0.00 0.00 42.46 36.85 2rqe s ILE 50 CO -0.20 -0.99 1.88 0.35 -1.23 0.00 0.00 174.94 174.75 2rqe n THR 51 N 5.90 3.27 0.00 2.92 -2.24 -1.26 0.73 114.28 123.60 2rqe n THR 51 Ca -0.03 -2.53 0.00 0.00 -2.27 0.00 0.00 64.05 59.23 2rqe n THR 51 Cb 0.46 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.04 0.00 -1.20 -0.78 4.81 -1.26 -4.86 118.16 113.83 2rqe n LYS 52 Ca 0.58 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.72 2rqe n LYS 52 Cb 1.18 0.00 0.14 0.00 0.02 0.00 0.00 35.03 36.37 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 0.00 1.16 0.00 1.64 0.04 -1.26 -4.97 135.00 131.61 2rqe s PRO 53 Ca 0.00 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.82 2rqe s PRO 53 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2rqe s PRO 53 CO 0.00 -2.30 0.00 0.36 0.04 0.00 0.00 177.00 175.10 2rqe n LYS 54 N -3.92 2.35 -2.73 4.56 0.00 -1.23 -4.83 118.16 112.37 2rqe n LYS 54 Ca 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.34 2rqe n LYS 54 Cb 0.55 -0.76 0.08 0.00 -0.00 0.00 0.00 35.03 34.91 2rqe n LYS 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2rqe n ASN 55 N -1.04 -0.02 0.00 -5.58 5.15 -1.26 -4.95 115.26 107.55 2rqe n ASN 55 Ca 0.00 -2.31 0.00 0.00 -0.60 0.00 0.00 54.58 51.67 2rqe n ASN 55 Cb 0.00 0.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 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 -0.77 2.99 3.27 8.20 0.00 -1.26 -4.95 105.19 112.66 2rqe n GLY 56 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.02 1.18 -0.77 1.61 0.52 -1.26 -4.16 118.95 116.05 2rqe s ARG 57 Ca 0.00 -1.58 -0.21 0.00 -0.52 0.00 0.00 55.73 53.42 2rqe s ARG 57 Cb 0.00 -0.39 0.09 0.00 0.52 0.00 0.00 34.95 35.17 2rqe s ARG 57 CO 0.00 -0.11 1.04 -1.58 0.02 0.00 0.00 175.30 174.67 2rqe s TRP 58 N -3.57 2.82 -0.07 -0.53 0.52 -0.95 -3.46 118.94 113.69 2rqe s TRP 58 Ca 0.25 -0.85 -0.06 0.00 0.02 0.00 0.00 56.10 55.47 2rqe s TRP 58 Cb 0.06 -4.31 -0.04 0.00 -1.15 0.00 0.00 33.47 28.03 2rqe s TRP 58 CO 0.05 -1.61 0.18 0.42 0.02 0.00 0.00 176.95 176.01 2rqe s ILE 59 N 3.65 5.45 0.02 2.03 1.01 -1.26 -1.64 121.20 130.46 2rqe s ILE 59 Ca 0.27 0.12 0.03 0.00 0.00 0.00 0.00 60.65 61.07 2rqe s ILE 59 Cb -0.12 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 2rqe s ILE 59 CO 0.03 0.50 -0.10 0.12 0.00 0.00 0.00 174.94 175.49 2rqe s PHE 60 N -1.15 0.83 -0.04 3.97 5.36 -0.73 -4.95 117.98 121.27 2rqe s PHE 60 Ca 0.20 -0.31 0.00 0.00 -0.96 0.00 0.00 56.93 55.87 2rqe s PHE 60 Cb -0.12 -0.51 0.03 0.00 -0.34 0.00 0.00 43.02 42.07 2rqe s PHE 60 CO 0.10 -0.02 -0.01 1.03 -1.46 0.00 0.00 175.22 174.87 2rqe s ARG 61 N -0.91 0.48 0.51 10.12 3.00 -1.26 -1.37 118.95 129.51 2rqe s ARG 61 Ca -0.01 0.05 0.08 0.00 0.00 0.00 0.00 55.73 55.84 2rqe s ARG 61 Cb -0.07 -0.66 0.08 0.00 0.00 0.00 0.00 34.95 34.30 2rqe s ARG 61 CO 0.00 -0.16 0.63 -0.25 0.00 0.00 0.00 175.30 175.53 2rqe n ASP 62 N 4.33 2.05 -0.37 0.23 8.00 0.66 -4.95 116.55 126.49 2rqe n ASP 62 Ca -0.22 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 52.84 2rqe n ASP 62 Cb 0.50 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 2rqe n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2rqe n ARG 63 N -2.01 0.00 -0.18 -1.24 1.74 -1.26 -3.71 116.66 110.00 2rqe n ARG 63 Ca 0.11 -0.49 0.01 0.00 -0.77 0.00 0.00 57.85 56.71 2rqe n ARG 63 Cb 0.54 -0.28 0.01 0.00 -1.02 0.00 0.00 32.46 31.71 2rqe n ARG 63 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2rqe n ASN 64 N 0.00 0.44 -4.38 0.55 0.23 -1.26 -4.52 115.26 106.32 2rqe n ASN 64 Ca 0.00 -1.66 -0.41 0.00 -0.53 0.00 0.00 54.58 51.98 2rqe n ASN 64 Cb 0.58 -0.11 -0.11 0.00 -2.08 0.00 0.00 39.78 38.07 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 -0.38 3.32 -0.79 -2.53 0.00 -1.26 -4.87 121.76 115.26 2rqe s ALA 65 Ca 0.03 -1.77 -0.08 0.00 0.00 0.00 0.00 51.96 50.14 2rqe s ALA 65 Cb 0.03 -2.67 0.20 0.00 0.00 0.00 0.00 23.12 20.68 2rqe s ALA 65 CO 0.00 -1.44 0.68 0.00 0.00 0.00 0.00 175.76 175.01 2rqe s ALA 66 N 1.57 3.99 0.21 0.00 0.00 -1.26 -0.50 121.76 125.77 2rqe s ALA 66 Ca 0.03 -3.43 -0.00 0.00 0.00 0.00 0.00 51.96 48.56 2rqe s ALA 66 Cb -0.20 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2rqe s ALA 66 CO 0.07 -2.20 0.14 -0.48 0.00 0.00 0.00 175.76 173.30 2rqe s LEU 67 N -0.27 1.22 0.17 0.00 -0.00 -1.26 -4.96 118.68 113.58 2rqe s LEU 67 Ca 0.20 -1.43 -0.20 0.00 -0.00 0.00 0.00 54.13 52.70 2rqe s LEU 67 Cb -0.13 0.39 0.05 0.00 -0.00 0.00 0.00 46.19 46.49 2rqe s LEU 67 CO -0.07 -0.86 0.55 -1.59 -0.00 0.00 0.00 176.35 174.37 2rqe s LYS 68 N -4.08 1.29 -0.32 1.48 0.00 -1.26 -4.28 119.74 112.56 2rqe s LYS 68 Ca 0.39 -0.65 -0.31 0.00 0.00 0.00 0.00 55.97 55.40 2rqe s LYS 68 Cb 0.07 0.55 -0.13 0.00 0.00 0.00 0.00 37.83 38.31 2rqe s LYS 68 CO 0.14 -0.55 1.05 -0.89 0.00 0.00 0.00 175.35 175.10 2rqe n ILE 69 N -0.34 0.00 0.00 3.79 2.08 -1.26 -1.56 119.36 122.06 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 0.64 -0.32 0.00 0.00 -0.75 0.00 0.00 39.64 39.20 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 2.62 0.53 3.57 7.39 0.00 -1.06 -5.05 105.19 113.18 2rqe n GLY 70 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2rqe n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rqe s ASP 71 N -0.92 0.71 0.10 1.61 1.01 -0.60 -4.74 116.67 113.83 2rqe s ASP 71 Ca 0.00 0.65 -0.00 0.00 0.71 0.00 0.00 52.55 53.91 2rqe s ASP 71 Cb 0.00 -0.90 -0.04 0.00 1.01 0.00 0.00 42.92 42.99 2rqe s ASP 71 CO 0.00 -4.25 -0.01 -0.54 0.21 0.00 0.00 175.17 170.58 2rqe s LYS 72 N -5.38 0.80 0.04 8.23 3.01 -1.26 -0.93 119.74 124.25 2rqe s LYS 72 Ca 0.71 -1.34 0.01 0.00 -1.01 0.00 0.00 55.97 54.34 2rqe s LYS 72 Cb -0.10 0.08 -0.03 0.00 -1.01 0.00 0.00 37.83 36.77 2rqe s LYS 72 CO 0.56 -0.14 -0.05 0.42 0.51 0.00 0.00 175.35 176.65 2rqe s ILE 73 N -3.87 0.36 -0.25 2.17 1.01 0.42 -2.02 121.20 119.02 2rqe s ILE 73 Ca 0.15 -1.18 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 2rqe s ILE 73 Cb 0.07 -0.68 0.14 0.00 0.01 0.00 0.00 42.46 42.00 2rqe s ILE 73 CO -0.04 -0.55 0.38 -0.31 0.00 0.00 0.00 174.94 174.42 2rqe s TYR 74 N -1.92 -0.83 0.00 3.97 1.51 -1.26 -0.52 117.35 118.30 2rqe s TYR 74 Ca -0.08 0.67 0.00 0.00 -1.01 0.00 0.00 57.07 56.65 2rqe s TYR 74 Cb -0.06 -0.04 0.00 0.00 -0.11 0.00 0.00 41.96 41.74 2rqe s TYR 74 CO -0.02 -0.78 0.00 1.97 -1.11 0.00 0.00 175.55 175.61 2rqe n PHE 75 N 5.36 -0.27 -4.04 2.71 -1.74 -1.26 -4.25 117.46 113.98 2rqe n PHE 75 Ca -0.03 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.77 2rqe n PHE 75 Cb 0.50 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.42 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 -4.35 0.59 0.12 2.97 1.48 -1.25 -3.26 118.94 115.24 2rqe s TRP 76 Ca 0.00 -0.94 0.01 0.00 -1.06 0.00 0.00 56.10 54.11 2rqe s TRP 76 Cb 0.00 -0.20 -0.04 0.00 -1.16 0.00 0.00 33.47 32.07 2rqe s TRP 76 CO 0.00 -0.68 -0.02 0.95 -4.06 0.00 0.00 176.95 173.14 2rqe s THR 77 N -4.01 0.55 0.02 0.66 -4.23 -1.25 -3.73 115.64 103.64 2rqe s THR 77 Ca 0.21 -1.93 0.05 0.00 -1.18 0.00 0.00 61.69 58.84 2rqe s THR 77 Cb 0.04 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 2rqe s THR 77 CO 0.02 -0.68 -0.16 -0.36 -0.54 0.00 0.00 174.62 172.90 2rqe s PHE 78 N -3.73 1.43 0.30 3.99 0.40 -1.25 -1.89 117.98 117.22 2rqe s PHE 78 Ca 0.17 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 2rqe s PHE 78 Cb 0.06 -0.88 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 2rqe s PHE 78 CO -0.01 0.02 0.30 0.14 0.70 0.00 0.00 175.22 176.37 2rqe s VAL 79 N -0.62 0.00 -0.30 -0.44 -7.23 -1.01 -0.02 120.40 110.78 2rqe s VAL 79 Ca 0.05 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.36 2rqe s VAL 79 Cb -0.07 -2.52 0.16 0.00 0.56 0.00 0.00 36.38 34.50 2rqe s VAL 79 CO 0.01 0.00 0.39 -0.63 -0.31 0.00 0.00 175.10 174.55 2rqe s ILE 80 N -3.54 -0.57 -0.01 -0.62 1.01 -0.79 -2.53 121.20 114.15 2rqe s ILE 80 Ca 0.37 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.69 2rqe s ILE 80 Cb 0.03 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 2rqe s ILE 80 CO 0.22 -0.35 -0.22 -0.75 0.00 0.00 0.00 174.94 173.84 2rqe s LYS 81 N 2.37 2.17 -1.34 2.79 2.20 -1.26 0.57 119.74 127.23 2rqe s LYS 81 Ca 0.11 -0.90 -0.13 0.00 -0.36 0.00 0.00 55.97 54.69 2rqe s LYS 81 Cb -0.13 -2.15 0.11 0.00 -1.51 0.00 0.00 37.83 34.16 2rqe s LYS 81 CO -0.27 0.57 0.52 -0.25 -0.36 0.00 0.00 175.35 175.56 2rqe n ASP 82 N 2.19 -2.99 -3.03 1.43 9.92 -1.25 0.37 116.55 123.19 2rqe n ASP 82 Ca -0.16 -0.59 -0.20 0.00 -0.53 0.00 0.00 54.79 53.31 2rqe n ASP 82 Cb 0.52 -2.50 0.00 0.00 -0.64 0.00 0.00 41.12 38.50 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 -1.13 -0.50 0.13 0.44 0.00 -1.26 -4.85 105.19 98.02 2rqe n GLY 83 Ca 0.03 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.52 1.93 -0.33 0.99 4.77 0.16 -5.13 117.00 115.87 2rqe n LEU 84 Ca -0.07 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2rqe n LEU 84 Cb 0.58 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2rqe n LEU 84 CO 0.41 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2rqe n GLY 85 N 1.38 -1.06 1.77 -0.72 0.00 -1.25 -4.95 105.19 100.36 2rqe n GLY 85 Ca -0.35 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 1.53 -0.04 -3.65 1.61 4.01 -1.05 -4.96 117.16 114.62 2rqe n TYR 86 Ca 0.00 -1.42 -0.02 0.00 -0.16 0.00 0.00 57.90 56.30 2rqe n TYR 86 Cb 0.00 0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 38.99 2rqe n TYR 86 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2rqe s ARG 87 N -2.80 0.10 0.49 -0.72 3.52 -1.26 -2.41 118.95 115.86 2rqe s ARG 87 Ca 0.13 0.12 -0.14 0.00 -0.13 0.00 0.00 55.73 55.72 2rqe s ARG 87 Cb 0.01 0.04 -0.07 0.00 -1.56 0.00 0.00 34.95 33.37 2rqe s ARG 87 CO 0.09 -0.01 0.92 -1.14 -0.81 0.00 0.00 175.30 174.35 2rqe s GLN 88 N 0.25 3.86 0.00 5.12 2.00 -0.80 -4.42 119.66 125.67 2rqe s GLN 88 Ca 0.04 0.78 0.00 0.00 -2.00 0.00 0.00 55.36 54.18 2rqe s GLN 88 Cb -0.04 -2.21 0.00 0.00 0.80 0.00 0.00 33.01 31.56 2rqe s GLN 88 CO -0.14 -0.23 0.00 -0.40 -0.50 0.00 0.00 175.29 174.02 2rqe n ASP 89 N -1.62 0.00 0.00 6.67 5.75 -1.26 -3.87 116.55 122.22 2rqe n ASP 89 Ca 0.05 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 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 -2.06 0.00 -3.27 -1.12 2.85 -1.26 -4.69 115.26 105.71 2rqe n ASN 90 Ca 0.00 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.21 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 -0.41 3.24 8.20 0.00 -1.20 -4.89 105.19 110.13 2rqe n GLY 91 Ca 0.00 1.09 0.04 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 -2.36 0.24 -0.26 1.61 2.12 -1.20 -4.37 118.70 114.47 2rqe s GLU 92 Ca 0.31 0.50 -0.04 0.00 0.36 0.00 0.00 54.97 56.10 2rqe s GLU 92 Cb -0.04 0.29 0.14 0.00 0.26 0.00 0.00 34.13 34.78 2rqe s GLU 92 CO 0.78 -0.18 0.48 -1.58 -0.54 0.00 0.00 175.26 174.22 2rqe s TRP 93 N 2.69 -1.10 0.01 5.30 0.51 0.32 -4.96 118.94 121.70 2rqe s TRP 93 Ca 0.00 1.38 -0.25 0.00 -2.12 0.00 0.00 56.10 55.11 2rqe s TRP 93 Cb -0.08 0.32 -0.05 0.00 -0.81 0.00 0.00 33.47 32.85 2rqe s TRP 93 CO -0.14 -0.71 0.75 0.99 -0.51 0.00 0.00 176.95 177.33 2rqe s THR 94 N 2.69 4.84 -0.07 2.01 2.01 -1.26 -0.44 115.64 125.42 2rqe s THR 94 Ca 0.10 1.59 -0.29 0.00 0.31 0.00 0.00 61.69 63.40 2rqe s THR 94 Cb -0.14 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.20 2rqe s THR 94 CO -0.17 0.32 1.85 -0.69 -0.69 0.00 0.00 174.62 175.24 2rqe s VAL 95 N 0.26 3.30 -0.01 3.82 1.01 -0.11 -4.81 120.40 123.85 2rqe s VAL 95 Ca 0.39 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.73 2rqe s VAL 95 Cb -0.20 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2rqe s VAL 95 CO 0.22 -0.07 0.78 -0.62 0.00 0.00 0.00 175.10 175.41 2rqe n GLU 96 N 7.62 0.41 -4.14 2.72 -0.58 -1.26 -2.56 120.64 122.85 2rqe n GLU 96 Ca 0.20 -0.95 -0.24 0.00 -0.42 0.00 0.00 57.16 55.75 2rqe n GLU 96 Cb 0.43 -0.63 -0.06 0.00 -0.57 0.00 0.00 31.44 30.61 2rqe n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rqe n GLY 97 N -0.16 3.53 3.37 0.62 0.00 -1.26 -5.04 105.19 106.24 2rqe n GLY 97 Ca 0.01 -2.22 -0.15 0.00 0.00 0.00 0.00 46.02 43.66 2rqe n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rqe s PHE 98 N -2.68 -0.39 0.19 1.61 0.08 -1.26 -3.77 117.98 111.77 2rqe s PHE 98 Ca 0.08 0.58 -0.18 0.00 0.12 0.00 0.00 56.93 57.53 2rqe s PHE 98 Cb 0.00 0.26 0.07 0.00 -0.57 0.00 0.00 43.02 42.78 2rqe s PHE 98 CO 0.06 -0.53 0.88 1.33 -0.10 0.00 0.00 175.22 176.86 2rqe n VAL 99 N 0.89 0.00 -3.73 -0.44 0.24 -1.02 -4.66 118.33 109.62 2rqe n VAL 99 Ca -0.20 -0.56 -0.12 0.00 -2.04 0.00 0.00 64.34 61.41 2rqe n VAL 99 Cb 0.58 0.72 -0.13 0.00 -1.47 0.00 0.00 33.84 33.54 2rqe n VAL 99 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2rqe s ASP 100 N -3.12 -0.25 -0.11 -1.34 1.01 -1.26 -3.79 116.67 107.81 2rqe s ASP 100 Ca 0.19 0.52 -0.01 0.00 0.71 0.00 0.00 52.55 53.97 2rqe s ASP 100 Cb -0.03 0.41 0.05 0.00 1.01 0.00 0.00 42.92 44.36 2rqe s ASP 100 CO 0.06 -0.17 2.14 1.21 0.21 0.00 0.00 175.17 178.62 2rqe n GLU 101 N 4.25 1.35 0.00 8.23 2.13 -1.26 -5.04 120.64 130.30 2rqe n GLU 101 Ca -0.25 -0.60 0.00 0.00 0.66 0.00 0.00 57.16 56.97 2rqe n GLU 101 Cb 0.53 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.95 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72