#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 0.33 -1.40 2.98 1.02 -1.26 -5.00 120.64 117.30 2rqe n GLU 2 Ca 0.00 -3.15 0.00 0.00 -0.02 0.00 0.00 57.16 53.99 2rqe n GLU 2 Cb 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 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 2.47 -1.86 -1.19 0.62 0.00 -1.26 -3.94 120.51 115.35 2rqe n ALA 3 Ca 0.27 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.83 2rqe n ALA 3 Cb 0.50 -1.32 0.16 0.00 0.00 0.00 0.00 19.45 18.78 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 -4.36 0.88 0.23 0.00 0.04 -1.26 -4.82 135.00 125.71 2rqe s PRO 4 Ca 0.00 0.68 -0.30 0.00 0.04 0.00 0.00 61.00 61.42 2rqe s PRO 4 Cb 0.00 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 2rqe s PRO 4 CO 0.00 -2.47 1.29 -1.25 0.04 0.00 0.00 177.00 174.61 2rqe s PRO 5 N -4.95 4.41 0.09 0.56 0.04 -1.26 -4.93 135.00 128.96 2rqe s PRO 5 Ca 0.64 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.55 2rqe s PRO 5 Cb -0.18 -3.18 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 2rqe s PRO 5 CO 0.57 -0.20 0.56 0.00 0.04 0.00 0.00 177.00 177.98 2rqe s ALA 6 N -0.20 3.59 -1.10 8.56 0.00 -1.26 -4.54 121.76 126.81 2rqe s ALA 6 Ca 0.54 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.41 2rqe s ALA 6 Cb -0.36 -2.60 0.29 0.00 0.00 0.00 0.00 23.12 20.45 2rqe s ALA 6 CO 0.41 0.42 1.22 2.41 0.00 0.00 0.00 175.76 180.21 2rqe n THR 7 N 1.45 4.76 -2.27 0.00 -1.04 0.20 -5.00 114.28 112.38 2rqe n THR 7 Ca -0.09 -5.55 -0.42 0.00 -2.04 0.00 0.00 64.05 55.95 2rqe n THR 7 Cb 0.51 -2.42 -0.03 0.00 -1.82 0.00 0.00 70.33 66.58 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 -1.78 3.46 0.00 -4.42 1.02 -1.26 -3.05 118.68 112.65 2rqe s LEU 8 Ca 0.31 0.62 -0.00 0.00 0.02 0.00 0.00 54.13 55.07 2rqe s LEU 8 Cb -0.05 -3.21 0.01 0.00 0.02 0.00 0.00 46.19 42.95 2rqe s LEU 8 CO -0.02 -1.71 0.04 -0.62 0.02 0.00 0.00 176.35 174.06 2rqe n GLU 9 N 8.51 -0.20 -3.56 1.70 -0.58 0.65 -4.76 120.64 122.40 2rqe n GLU 9 Ca 0.16 -0.06 -0.27 0.00 -0.42 0.00 0.00 57.16 56.57 2rqe n GLU 9 Cb 0.49 -0.04 -0.11 0.00 -0.57 0.00 0.00 31.44 31.21 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 -3.84 2.13 1.02 0.62 0.00 -1.25 -4.53 121.76 115.92 2rqe s ALA 10 Ca 0.02 -2.85 -0.14 0.00 0.00 0.00 0.00 51.96 48.99 2rqe s ALA 10 Cb -0.00 -1.78 0.20 0.00 0.00 0.00 0.00 23.12 21.54 2rqe s ALA 10 CO 0.02 -2.02 1.13 0.42 0.00 0.00 0.00 175.76 175.30 2rqe s ILE 11 N -0.35 1.91 1.16 0.00 -1.09 -1.26 -1.93 121.20 119.64 2rqe s ILE 11 Ca 0.29 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.54 2rqe s ILE 11 Cb -0.01 -2.61 0.18 0.00 -1.58 0.00 0.00 42.46 38.44 2rqe s ILE 11 CO -0.17 0.00 0.31 1.41 -1.23 0.00 0.00 174.94 175.25 2rqe n HIS 12 N -4.17 -1.73 0.49 3.97 8.25 -1.22 -4.67 115.22 116.14 2rqe n HIS 12 Ca 0.08 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 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 -2.95 0.49 -0.19 -0.41 -0.04 -1.26 -2.28 135.00 128.37 2rqe n PRO 13 Ca 0.02 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 0.10 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 0.30 0.95 -3.24 0.54 2.85 -1.25 -4.10 118.16 114.20 2rqe n LYS 14 Ca 0.00 -2.11 0.00 0.00 -1.05 0.00 0.00 58.31 55.15 2rqe n LYS 14 Cb 0.13 -1.21 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 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 -1.02 -1.87 3.43 2.58 0.00 -0.52 -4.05 105.19 103.75 2rqe n GLY 15 Ca 0.11 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 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 0.63 -0.01 0.99 2.96 -1.22 -4.09 118.68 117.95 2rqe s LEU 16 Ca 0.00 -0.84 0.03 0.00 -0.22 0.00 0.00 54.13 53.09 2rqe s LEU 16 Cb 0.00 1.48 -0.00 0.00 0.50 0.00 0.00 46.19 48.17 2rqe s LEU 16 CO 0.00 -0.99 -0.08 -0.60 -1.32 0.00 0.00 176.35 173.36 2rqe s ARG 17 N -3.97 0.74 -0.24 1.98 3.52 -1.26 0.08 118.95 119.81 2rqe s ARG 17 Ca 0.18 -0.30 -0.03 0.00 -0.13 0.00 0.00 55.73 55.46 2rqe s ARG 17 Cb 0.02 -0.72 0.11 0.00 -1.56 0.00 0.00 34.95 32.80 2rqe s ARG 17 CO 0.03 0.16 0.28 0.08 -0.81 0.00 0.00 175.30 175.04 2rqe s VAL 18 N -0.10 -0.41 0.21 7.11 1.01 -0.11 -0.26 120.40 127.85 2rqe s VAL 18 Ca 0.02 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.88 2rqe s VAL 18 Cb -0.05 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2rqe s VAL 18 CO -0.00 -0.25 -0.02 -0.55 0.00 0.00 0.00 175.10 174.28 2rqe s SER 19 N 2.39 4.60 0.02 3.32 0.15 -1.17 -1.84 113.70 121.16 2rqe s SER 19 Ca 0.09 -0.51 -0.03 0.00 0.70 0.00 0.00 55.95 56.20 2rqe s SER 19 Cb -0.15 -0.90 -0.02 0.00 -1.71 0.00 0.00 66.02 63.24 2rqe s SER 19 CO -0.18 0.06 0.03 0.68 1.20 0.00 0.00 173.24 175.03 2rqe s VAL 20 N -1.92 0.12 -0.04 4.45 -7.23 -0.68 -0.63 120.40 114.46 2rqe s VAL 20 Ca 0.28 -0.98 -0.30 0.00 -1.81 0.00 0.00 61.98 59.17 2rqe s VAL 20 Cb -0.08 -0.54 -0.05 0.00 0.56 0.00 0.00 36.38 36.27 2rqe s VAL 20 CO 0.18 -0.54 1.48 -2.16 -0.31 0.00 0.00 175.10 173.76 2rqe s PRO 21 N -1.89 4.23 -0.91 4.82 0.04 -1.26 -1.80 135.00 138.23 2rqe s PRO 21 Ca -0.12 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.72 2rqe s PRO 21 Cb -0.06 -3.75 0.07 0.00 0.04 0.00 0.00 34.50 30.80 2rqe s PRO 21 CO -0.02 -0.70 1.27 0.34 0.04 0.00 0.00 177.00 177.93 2rqe s ASP 22 N 2.44 6.44 -0.22 6.66 -1.08 -1.26 -4.86 116.67 124.80 2rqe s ASP 22 Ca 0.66 -1.41 -0.01 0.00 -0.52 0.00 0.00 52.55 51.28 2rqe s ASP 22 Cb -0.31 -2.50 0.12 0.00 -1.46 0.00 0.00 42.92 38.77 2rqe s ASP 22 CO 0.26 -1.43 2.11 1.21 0.52 0.00 0.00 175.17 177.84 2rqe n GLU 23 N 8.17 1.60 -0.58 4.34 2.13 -1.26 -4.58 120.64 130.46 2rqe n GLU 23 Ca 0.21 -1.11 0.00 0.00 0.66 0.00 0.00 57.16 56.92 2rqe n GLU 23 Cb 0.49 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.73 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 0.80 1.02 3.80 8.31 0.00 -1.26 -4.94 105.19 112.92 2rqe n GLY 24 Ca 0.22 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 2.79 0.00 1.61 0.08 -1.26 -3.62 117.98 115.57 2rqe s PHE 25 Ca 0.00 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.19 2rqe s PHE 25 Cb 0.00 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 2rqe s PHE 25 CO 0.00 -1.83 0.06 0.45 -0.10 0.00 0.00 175.22 173.80 2rqe n SER 26 N -3.47 0.13 -3.68 1.36 2.88 0.15 -4.90 113.62 106.09 2rqe n SER 26 Ca 0.07 -0.44 -0.14 0.00 -1.33 0.00 0.00 58.87 57.03 2rqe n SER 26 Cb 0.56 0.40 -0.08 0.00 -0.75 0.00 0.00 64.21 64.34 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 -0.81 -0.04 0.03 2.46 1.98 -1.22 -4.57 118.68 116.51 2rqe s LEU 27 Ca 0.00 0.95 0.01 0.00 -2.89 0.00 0.00 54.13 52.20 2rqe s LEU 27 Cb 0.00 1.87 -0.02 0.00 0.66 0.00 0.00 46.19 48.70 2rqe s LEU 27 CO 0.00 -0.26 -0.05 0.12 -1.89 0.00 0.00 176.35 174.27 2rqe s PHE 28 N -0.04 0.46 0.04 5.38 5.36 0.10 -2.00 117.98 127.30 2rqe s PHE 28 Ca -0.03 -0.42 -0.00 0.00 -0.96 0.00 0.00 56.93 55.52 2rqe s PHE 28 Cb -0.03 -0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.32 2rqe s PHE 28 CO 0.02 -0.10 -0.03 0.00 -1.46 0.00 0.00 175.22 173.65 2rqe s ALA 29 N -1.13 0.42 -0.03 11.12 0.00 0.71 0.84 121.76 133.68 2rqe s ALA 29 Ca -0.09 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 2rqe s ALA 29 Cb -0.08 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.29 2rqe s ALA 29 CO -0.00 -0.29 0.04 0.12 0.00 0.00 0.00 175.76 175.62 2rqe s PHE 30 N -3.11 0.12 -0.36 0.00 2.19 0.12 -3.38 117.98 113.56 2rqe s PHE 30 Ca -0.00 0.14 0.04 0.00 0.33 0.00 0.00 56.93 57.45 2rqe s PHE 30 Cb 0.02 -0.39 0.16 0.00 -1.31 0.00 0.00 43.02 41.50 2rqe s PHE 30 CO -0.07 -0.15 0.46 -1.01 1.83 0.00 0.00 175.22 176.28 2rqe s HIS 31 N 1.55 -0.89 0.16 10.12 3.76 -1.25 -2.09 115.29 126.65 2rqe s HIS 31 Ca -0.03 -0.23 0.01 0.00 -0.15 0.00 0.00 55.06 54.66 2rqe s HIS 31 Cb -0.13 -0.13 -0.00 0.00 1.11 0.00 0.00 32.58 33.43 2rqe s HIS 31 CO -0.03 -1.04 0.18 0.41 -0.85 0.00 0.00 174.74 173.42 2rqe n GLY 32 N 4.56 3.05 0.00 -2.22 0.00 -1.26 -3.72 105.19 105.60 2rqe n GLY 32 Ca 0.09 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.28 0.94 -4.03 1.61 5.02 -1.26 -1.76 118.16 118.40 2rqe n LYS 33 Ca 0.02 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 2rqe n LYS 33 Cb 0.28 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.12 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 1.14 -1.78 -0.35 1.98 -1.26 -4.36 118.68 114.04 2rqe s LEU 34 Ca 0.00 -0.21 0.00 0.00 -2.89 0.00 0.00 54.13 51.03 2rqe s LEU 34 Cb 0.00 -0.66 0.00 0.00 0.66 0.00 0.00 46.19 46.19 2rqe s LEU 34 CO 0.00 -0.10 0.00 0.59 -1.89 0.00 0.00 176.35 174.95 2rqe n ASN 35 N 4.64 -5.54 -3.62 3.68 3.02 -1.00 -4.96 115.26 111.49 2rqe n ASN 35 Ca -0.15 0.12 -0.16 0.00 -0.03 0.00 0.00 54.58 54.36 2rqe n ASN 35 Cb 0.50 -4.63 -0.07 0.00 -0.61 0.00 0.00 39.78 34.97 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 -4.61 0.87 0.26 3.52 2.12 -1.26 -5.07 118.70 114.52 2rqe s GLU 36 Ca 0.00 0.36 0.10 0.00 0.36 0.00 0.00 54.97 55.79 2rqe s GLU 36 Cb 0.00 0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.75 2rqe s GLU 36 CO 0.00 -0.22 -0.04 -1.83 -0.54 0.00 0.00 175.26 172.63 2rqe s GLU 37 N -0.72 2.20 0.25 4.30 -1.05 -1.26 -3.94 118.70 118.49 2rqe s GLU 37 Ca -0.08 -1.44 0.02 0.00 -0.15 0.00 0.00 54.97 53.33 2rqe s GLU 37 Cb -0.02 -2.12 0.02 0.00 -0.44 0.00 0.00 34.13 31.57 2rqe s GLU 37 CO 0.06 0.37 0.17 0.00 0.95 0.00 0.00 175.26 176.81 2rqe n MET 38 N -0.75 1.15 -3.72 -4.83 0.00 -1.26 -5.10 117.12 102.61 2rqe n MET 38 Ca -0.07 -1.62 -0.13 0.00 0.00 0.00 0.00 57.70 55.89 2rqe n MET 38 Cb 0.59 0.20 -0.10 0.00 0.00 0.00 0.00 33.22 33.91 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 -3.03 0.49 -0.41 3.17 2.12 -1.26 -4.91 118.70 114.87 2rqe s GLU 39 Ca 0.13 0.64 -0.00 0.00 0.36 0.00 0.00 54.97 56.10 2rqe s GLU 39 Cb -0.01 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.59 2rqe s GLU 39 CO 0.08 -0.08 0.03 0.41 -0.54 0.00 0.00 175.26 175.17 2rqe n GLY 40 N 3.08 0.21 3.29 -1.50 0.00 -1.26 -4.28 105.19 104.74 2rqe n GLY 40 Ca -0.15 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.81 -3.85 -4.41 0.99 4.77 -1.26 -5.01 117.00 107.42 2rqe n LEU 41 Ca -0.05 0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 55.91 2rqe n LEU 41 Cb 0.54 -1.94 -0.10 0.00 -2.33 0.00 0.00 43.42 39.58 2rqe n LEU 41 CO 0.08 -0.89 -0.28 -1.83 -1.33 0.00 0.00 177.39 173.13 2rqe s GLU 42 N -2.04 1.57 -0.69 3.23 -1.05 -1.26 -5.09 118.70 113.37 2rqe s GLU 42 Ca 0.24 -1.85 -0.27 0.00 -0.15 0.00 0.00 54.97 52.94 2rqe s GLU 42 Cb -0.03 -0.77 0.04 0.00 -0.44 0.00 0.00 34.13 32.93 2rqe s GLU 42 CO 0.63 -0.18 1.21 0.00 0.95 0.00 0.00 175.26 177.87 2rqe s ALA 43 N -3.36 2.86 0.00 -0.84 0.00 -1.26 -4.88 121.76 114.28 2rqe s ALA 43 Ca 0.35 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2rqe s ALA 43 Cb 0.08 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 19.06 2rqe s ALA 43 CO 0.14 -3.06 0.00 0.41 0.00 0.00 0.00 175.76 173.25 2rqe n GLY 44 N 5.30 -2.49 0.11 0.00 0.00 -1.26 -4.92 105.19 101.92 2rqe n GLY 44 Ca 0.03 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 0.09 -1.10 1.61 8.25 -0.72 -4.97 115.22 118.38 2rqe n HIS 45 Ca 0.00 0.04 -0.30 0.00 -0.26 0.00 0.00 57.72 57.20 2rqe n HIS 45 Cb 0.00 -0.70 0.23 0.00 1.12 0.00 0.00 29.99 30.64 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 -2.72 0.64 -0.30 4.41 0.51 -0.73 -4.97 118.94 115.77 2rqe s TRP 46 Ca -0.32 0.54 -0.19 0.00 -2.12 0.00 0.00 56.10 54.01 2rqe s TRP 46 Cb 0.08 -3.44 0.17 0.00 -0.81 0.00 0.00 33.47 29.47 2rqe s TRP 46 CO 0.44 -3.79 1.26 -1.54 -0.51 0.00 0.00 176.95 172.82 2rqe s SER 47 N -3.86 -0.01 0.07 2.95 1.04 -1.24 -4.46 113.70 108.19 2rqe s SER 47 Ca 0.70 0.00 -0.26 0.00 0.48 0.00 0.00 55.95 56.88 2rqe s SER 47 Cb -0.10 1.00 0.08 0.00 0.10 0.00 0.00 66.02 67.10 2rqe s SER 47 CO 0.56 -0.00 0.67 -0.60 0.98 0.00 0.00 173.24 174.85 2rqe s ARG 48 N 3.00 1.14 -0.04 4.02 3.00 -0.89 -5.02 118.95 124.17 2rqe s ARG 48 Ca -0.09 -0.22 -0.02 0.00 -1.00 0.00 0.00 55.73 54.40 2rqe s ARG 48 Cb -0.07 0.53 0.03 0.00 0.00 0.00 0.00 34.95 35.44 2rqe s ARG 48 CO -0.07 -0.46 0.07 0.16 0.00 0.00 0.00 175.30 175.00 2rqe s ASP 49 N -2.21 1.11 -0.31 -2.12 1.47 -1.26 -0.71 116.67 112.65 2rqe s ASP 49 Ca -0.02 0.10 -0.16 0.00 1.18 0.00 0.00 52.55 53.64 2rqe s ASP 49 Cb -0.01 -0.11 -0.02 0.00 -0.34 0.00 0.00 42.92 42.44 2rqe s ASP 49 CO -0.05 -0.25 0.43 -0.63 0.68 0.00 0.00 175.17 175.34 2rqe s ILE 50 N 2.18 5.11 -0.48 2.11 -1.09 0.25 -4.95 121.20 124.33 2rqe s ILE 50 Ca 0.05 0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.88 2rqe s ILE 50 Cb -0.12 -3.82 0.58 0.00 -1.58 0.00 0.00 42.46 37.52 2rqe s ILE 50 CO -0.03 -0.03 1.91 0.35 -1.23 0.00 0.00 174.94 175.91 2rqe n THR 51 N 5.25 3.21 0.00 2.92 -2.24 -1.26 -0.72 114.28 121.44 2rqe n THR 51 Ca -0.07 -2.07 0.00 0.00 -2.27 0.00 0.00 64.05 59.64 2rqe n THR 51 Cb 0.50 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.00 0.00 -0.95 -0.78 5.02 -1.26 -4.94 118.16 114.26 2rqe n LYS 52 Ca 0.58 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.59 2rqe n LYS 52 Cb 1.37 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 36.61 2rqe n LYS 52 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2rqe n PRO 53 N -0.48 -2.97 0.04 1.97 -0.04 -1.26 -4.96 135.00 127.30 2rqe n PRO 53 Ca 0.00 -1.60 -0.00 0.00 -0.04 0.00 0.00 63.50 61.86 2rqe n PRO 53 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2rqe n PRO 53 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2rqe n LYS 54 N -4.56 0.01 -3.01 0.54 4.81 -1.11 -4.93 118.16 109.91 2rqe n LYS 54 Ca 0.14 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.37 2rqe n LYS 54 Cb 0.54 -0.43 -0.03 0.00 0.02 0.00 0.00 35.03 35.13 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 -3.34 2.47 0.00 3.14 3.02 -1.26 -4.90 115.26 114.38 2rqe n ASN 55 Ca -0.00 -3.28 0.00 0.00 -0.03 0.00 0.00 54.58 51.27 2rqe n ASN 55 Cb 0.01 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 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 0.01 2.80 3.36 7.41 0.00 -1.26 -4.98 105.19 112.52 2rqe n GLY 56 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.06 1.36 -1.02 1.61 3.00 -1.26 -4.22 118.95 118.35 2rqe s ARG 57 Ca 0.00 -1.62 -0.21 0.00 0.00 0.00 0.00 55.73 53.90 2rqe s ARG 57 Cb 0.00 -1.12 0.07 0.00 0.00 0.00 0.00 34.95 33.91 2rqe s ARG 57 CO 0.00 0.16 1.39 -1.58 0.00 0.00 0.00 175.30 175.27 2rqe s TRP 58 N -2.98 2.72 -0.07 -0.53 0.52 -0.74 -2.74 118.94 115.10 2rqe s TRP 58 Ca 0.23 -1.06 -0.14 0.00 0.02 0.00 0.00 56.10 55.15 2rqe s TRP 58 Cb -0.00 -4.59 -0.05 0.00 -1.15 0.00 0.00 33.47 27.68 2rqe s TRP 58 CO 0.08 -1.81 0.36 0.42 0.02 0.00 0.00 176.95 176.02 2rqe s ILE 59 N 4.28 5.17 0.14 2.03 1.01 -1.26 -1.69 121.20 130.87 2rqe s ILE 59 Ca 0.43 0.72 0.02 0.00 0.00 0.00 0.00 60.65 61.82 2rqe s ILE 59 Cb -0.01 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2rqe s ILE 59 CO -0.08 0.50 -0.03 0.12 0.00 0.00 0.00 174.94 175.44 2rqe s PHE 60 N -0.41 1.04 0.01 3.97 5.36 -0.77 -4.87 117.98 122.31 2rqe s PHE 60 Ca 0.21 -0.98 -0.26 0.00 -0.96 0.00 0.00 56.93 54.94 2rqe s PHE 60 Cb -0.15 -0.60 0.06 0.00 -0.34 0.00 0.00 43.02 42.00 2rqe s PHE 60 CO 0.10 -0.20 0.60 -0.98 -1.46 0.00 0.00 175.22 173.28 2rqe s ARG 61 N -3.88 1.06 0.34 10.12 3.03 -1.26 -0.93 118.95 127.42 2rqe s ARG 61 Ca 0.18 -0.01 0.00 0.00 2.03 0.00 0.00 55.73 57.93 2rqe s ARG 61 Cb 0.06 0.49 0.00 0.00 -1.03 0.00 0.00 34.95 34.47 2rqe s ARG 61 CO -0.00 -0.36 0.02 -0.25 -1.13 0.00 0.00 175.30 173.57 2rqe n ASP 62 N 0.62 2.89 -0.32 -2.89 8.00 0.11 -4.93 116.55 120.03 2rqe n ASP 62 Ca -0.19 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 52.84 2rqe n ASP 62 Cb 0.59 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 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 -0.88 0.00 0.00 -1.24 1.74 -1.26 -3.39 116.66 111.64 2rqe n ARG 63 Ca -0.13 -0.71 0.00 0.00 -0.77 0.00 0.00 57.85 56.24 2rqe n ARG 63 Cb 0.43 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 0.67 -4.38 0.55 6.94 -1.26 -4.46 115.26 113.33 2rqe n ASN 64 Ca 0.00 -1.31 -0.45 0.00 -0.02 0.00 0.00 54.58 52.80 2rqe n ASN 64 Cb 0.61 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 38.00 2rqe n ASN 64 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2rqe s ALA 65 N -0.31 3.55 -1.18 -2.53 0.00 -1.26 -4.84 121.76 115.18 2rqe s ALA 65 Ca 0.00 -2.57 -0.11 0.00 0.00 0.00 0.00 51.96 49.29 2rqe s ALA 65 Cb 0.00 -3.63 0.22 0.00 0.00 0.00 0.00 23.12 19.71 2rqe s ALA 65 CO 0.00 -2.46 1.42 0.00 0.00 0.00 0.00 175.76 174.72 2rqe n ALA 66 N 5.88 4.35 -2.54 0.00 0.00 -1.26 -1.43 120.51 125.51 2rqe n ALA 66 Ca 0.02 -4.44 -0.25 0.00 0.00 0.00 0.00 53.44 48.77 2rqe n ALA 66 Cb 0.45 -2.80 -0.10 0.00 0.00 0.00 0.00 19.45 16.99 2rqe n ALA 66 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2rqe s LEU 67 N 0.02 2.39 0.05 0.00 -0.00 -1.26 -4.93 118.68 114.95 2rqe s LEU 67 Ca 0.38 -1.43 -0.24 0.00 -0.00 0.00 0.00 54.13 52.84 2rqe s LEU 67 Cb -0.02 -0.55 0.06 0.00 -0.00 0.00 0.00 46.19 45.68 2rqe s LEU 67 CO -0.01 -0.61 0.56 -1.59 -0.00 0.00 0.00 176.35 174.70 2rqe s LYS 68 N -3.82 1.09 -0.22 1.48 0.00 -1.26 -4.07 119.74 112.95 2rqe s LYS 68 Ca 0.32 -0.19 -0.23 0.00 0.00 0.00 0.00 55.97 55.87 2rqe s LYS 68 Cb 0.08 0.50 -0.10 0.00 0.00 0.00 0.00 37.83 38.31 2rqe s LYS 68 CO 0.15 -0.40 0.76 -0.89 0.00 0.00 0.00 175.35 174.97 2rqe n ILE 69 N 0.35 0.00 0.00 3.79 2.08 -1.26 -1.81 119.36 122.50 2rqe n ILE 69 Ca -0.18 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.13 2rqe n ILE 69 Cb 0.61 -0.22 0.00 0.00 -0.75 0.00 0.00 39.64 39.28 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 1.83 0.75 0.59 7.39 0.00 -1.08 -5.05 105.19 109.61 2rqe n GLY 70 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.60 -4.02 1.61 9.92 -0.75 -4.71 116.55 117.00 2rqe n ASP 71 Ca 0.00 -0.46 -0.10 0.00 -0.53 0.00 0.00 54.79 53.71 2rqe n ASP 71 Cb 0.00 -0.17 -0.06 0.00 -0.64 0.00 0.00 41.12 40.24 2rqe n ASP 71 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2rqe s LYS 72 N -3.40 1.39 -0.04 -1.24 1.02 -1.26 -1.53 119.74 114.67 2rqe s LYS 72 Ca 0.12 -1.29 -0.09 0.00 0.02 0.00 0.00 55.97 54.73 2rqe s LYS 72 Cb -0.01 0.41 0.02 0.00 -0.52 0.00 0.00 37.83 37.73 2rqe s LYS 72 CO 0.09 -0.54 0.22 0.42 -0.92 0.00 0.00 175.35 174.62 2rqe s ILE 73 N -4.03 0.04 -0.27 2.17 1.01 0.13 -2.37 121.20 117.88 2rqe s ILE 73 Ca 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 2rqe s ILE 73 Cb 0.02 -0.43 0.13 0.00 0.01 0.00 0.00 42.46 42.19 2rqe s ILE 73 CO 0.07 -0.18 0.32 -0.31 0.00 0.00 0.00 174.94 174.84 2rqe s TYR 74 N -0.66 -0.58 0.00 3.97 1.51 -1.25 0.25 117.35 120.58 2rqe s TYR 74 Ca -0.08 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.12 2rqe s TYR 74 Cb -0.04 -0.32 0.00 0.00 -0.11 0.00 0.00 41.96 41.49 2rqe s TYR 74 CO 0.02 -0.85 0.00 1.97 -1.11 0.00 0.00 175.55 175.58 2rqe n PHE 75 N 5.33 -0.86 -3.94 2.71 -1.74 -1.26 -4.16 117.46 113.54 2rqe n PHE 75 Ca -0.02 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.76 2rqe n PHE 75 Cb 0.48 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.36 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 -8.09 0.16 0.29 2.97 -2.14 -1.24 -3.33 118.94 107.56 2rqe s TRP 76 Ca 0.00 -0.32 0.09 0.00 2.66 0.00 0.00 56.10 58.52 2rqe s TRP 76 Cb 0.00 -0.12 -0.04 0.00 -3.10 0.00 0.00 33.47 30.21 2rqe s TRP 76 CO 0.00 -0.12 0.07 0.95 -2.66 0.00 0.00 176.95 175.20 2rqe s THR 77 N -0.89 3.43 -0.02 0.66 -4.23 -1.24 -3.93 115.64 109.41 2rqe s THR 77 Ca -0.10 -1.77 0.04 0.00 -1.18 0.00 0.00 61.69 58.68 2rqe s THR 77 Cb -0.06 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 2rqe s THR 77 CO -0.01 -0.31 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.27 2rqe s PHE 78 N -2.34 1.33 0.31 3.99 0.40 -1.22 -1.65 117.98 118.81 2rqe s PHE 78 Ca 0.34 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 2rqe s PHE 78 Cb -0.05 -0.88 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 2rqe s PHE 78 CO 0.21 -0.07 0.29 0.14 0.70 0.00 0.00 175.22 176.50 2rqe s VAL 79 N -0.15 0.00 -0.31 -0.44 -7.23 -0.92 -0.21 120.40 111.14 2rqe s VAL 79 Ca 0.02 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 2rqe s VAL 79 Cb -0.08 -2.52 0.16 0.00 0.56 0.00 0.00 36.38 34.51 2rqe s VAL 79 CO 0.00 0.00 0.44 -0.63 -0.31 0.00 0.00 175.10 174.60 2rqe s ILE 80 N -3.51 -0.66 -0.04 -0.62 1.01 -0.85 -2.03 121.20 114.50 2rqe s ILE 80 Ca 0.38 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.74 2rqe s ILE 80 Cb 0.03 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 2rqe s ILE 80 CO 0.23 -0.27 -0.11 -0.75 0.00 0.00 0.00 174.94 174.04 2rqe s LYS 81 N 2.41 2.55 -0.77 2.79 2.20 -1.26 0.32 119.74 127.98 2rqe s LYS 81 Ca 0.11 -0.68 -0.05 0.00 -0.36 0.00 0.00 55.97 54.99 2rqe s LYS 81 Cb -0.12 -2.44 0.05 0.00 -1.51 0.00 0.00 37.83 33.80 2rqe s LYS 81 CO -0.26 0.63 0.19 -3.47 -0.36 0.00 0.00 175.35 172.08 2rqe n ASP 82 N 2.11 -2.41 -3.26 1.43 -0.08 -1.24 0.72 116.55 113.83 2rqe n ASP 82 Ca -0.17 0.01 -0.23 0.00 -1.51 0.00 0.00 54.79 52.89 2rqe n ASP 82 Cb 0.52 -2.09 0.05 0.00 2.34 0.00 0.00 41.12 41.94 2rqe n ASP 82 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rqe n GLY 83 N -0.80 -0.53 0.17 0.27 0.00 -1.26 -4.91 105.19 98.13 2rqe n GLY 83 Ca -0.02 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.39 1.89 -1.03 0.99 4.77 0.22 -5.11 117.00 114.34 2rqe n LEU 84 Ca -0.06 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2rqe n LEU 84 Cb 0.60 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2rqe n LEU 84 CO 0.55 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 2rqe n GLY 85 N 1.32 -2.28 1.86 -0.72 0.00 -1.26 -4.94 105.19 99.17 2rqe n GLY 85 Ca -0.51 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 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 0.35 0.43 -3.65 1.61 4.01 -0.86 -4.98 117.16 114.07 2rqe n TYR 86 Ca 0.00 -1.34 -0.01 0.00 -0.16 0.00 0.00 57.90 56.40 2rqe n TYR 86 Cb 0.00 -0.12 -0.07 0.00 -0.31 0.00 0.00 39.34 38.85 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 -2.91 0.06 0.50 -0.72 3.00 -1.26 -2.17 118.95 115.45 2rqe s ARG 87 Ca 0.04 0.09 -0.18 0.00 -1.00 0.00 0.00 55.73 54.68 2rqe s ARG 87 Cb 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 34.95 34.89 2rqe s ARG 87 CO 0.03 -0.01 0.99 -1.14 0.00 0.00 0.00 175.30 175.17 2rqe s GLN 88 N 0.48 3.93 0.00 5.12 2.00 -0.66 -4.38 119.66 126.15 2rqe s GLN 88 Ca 0.01 1.04 0.00 0.00 -2.00 0.00 0.00 55.36 54.41 2rqe s GLN 88 Cb -0.04 -2.13 0.00 0.00 0.80 0.00 0.00 33.01 31.64 2rqe s GLN 88 CO -0.13 -0.29 0.00 -0.40 -0.50 0.00 0.00 175.29 173.97 2rqe n ASP 89 N -1.39 0.37 0.00 6.67 5.75 -1.26 -3.72 116.55 122.97 2rqe n ASP 89 Ca 0.07 -0.55 0.00 0.00 -0.01 0.00 0.00 54.79 54.30 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 -1.45 0.00 -3.20 -1.12 4.05 -1.26 -4.69 115.26 107.60 2rqe n ASN 90 Ca 0.00 0.00 -0.20 0.00 0.45 0.00 0.00 54.58 54.83 2rqe n ASN 90 Cb 0.00 0.00 0.02 0.00 1.23 0.00 0.00 39.78 41.03 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 -0.73 3.22 8.20 0.00 -1.21 -4.88 105.19 109.79 2rqe n GLY 91 Ca 0.00 0.89 0.04 0.00 0.00 0.00 0.00 46.02 46.95 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 -2.12 0.27 -0.26 1.61 2.12 -1.19 -4.40 118.70 114.74 2rqe s GLU 92 Ca 0.24 0.53 -0.04 0.00 0.36 0.00 0.00 54.97 56.06 2rqe s GLU 92 Cb -0.04 0.30 0.14 0.00 0.26 0.00 0.00 34.13 34.80 2rqe s GLU 92 CO 0.67 -0.23 0.48 -1.58 -0.54 0.00 0.00 175.26 174.06 2rqe s TRP 93 N 2.78 -1.11 0.01 5.30 0.51 0.14 -4.96 118.94 121.60 2rqe s TRP 93 Ca 0.02 1.40 -0.21 0.00 -2.12 0.00 0.00 56.10 55.19 2rqe s TRP 93 Cb -0.10 0.33 -0.05 0.00 -0.81 0.00 0.00 33.47 32.84 2rqe s TRP 93 CO -0.14 -0.72 0.61 0.99 -0.51 0.00 0.00 176.95 177.18 2rqe s THR 94 N 2.69 4.88 -0.15 2.01 2.01 -1.26 0.17 115.64 125.98 2rqe s THR 94 Ca 0.10 1.28 -0.29 0.00 0.31 0.00 0.00 61.69 63.09 2rqe s THR 94 Cb -0.14 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2rqe s THR 94 CO -0.17 0.42 1.87 -0.69 -0.69 0.00 0.00 174.62 175.36 2rqe s VAL 95 N -0.25 3.34 0.00 3.82 1.01 -0.58 -4.77 120.40 122.97 2rqe s VAL 95 Ca 0.32 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2rqe s VAL 95 Cb -0.19 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2rqe s VAL 95 CO 0.18 -0.14 0.16 -0.62 0.00 0.00 0.00 175.10 174.68 2rqe n GLU 96 N 7.92 0.36 -2.92 2.72 1.02 -1.26 -2.63 120.64 125.86 2rqe n GLU 96 Ca 0.22 -0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 57.06 2rqe n GLU 96 Cb 0.44 -0.59 -0.01 0.00 -0.02 0.00 0.00 31.44 31.26 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 0.10 3.25 3.36 0.62 0.00 -1.26 -5.07 105.19 106.19 2rqe n GLY 97 Ca 0.00 -2.26 -0.13 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.57 -0.35 0.09 1.61 5.36 -1.26 -3.91 117.98 117.96 2rqe s PHE 98 Ca 0.10 0.26 -0.27 0.00 -0.96 0.00 0.00 56.93 56.06 2rqe s PHE 98 Cb -0.01 0.32 0.08 0.00 -0.34 0.00 0.00 43.02 43.07 2rqe s PHE 98 CO 0.06 -0.67 0.97 0.14 -1.46 0.00 0.00 175.22 174.27 2rqe s VAL 99 N -2.96 0.00 -0.07 3.12 -7.23 -0.81 -4.60 120.40 107.85 2rqe s VAL 99 Ca -0.02 -0.45 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 2rqe s VAL 99 Cb -0.00 -1.73 0.01 0.00 0.56 0.00 0.00 36.38 35.22 2rqe s VAL 99 CO -0.06 0.00 -0.14 -1.81 -0.31 0.00 0.00 175.10 172.78 2rqe s ASP 100 N -2.82 1.99 0.00 4.85 1.11 -1.26 -3.39 116.67 117.15 2rqe s ASP 100 Ca 0.11 -0.34 -0.05 0.00 0.18 0.00 0.00 52.55 52.45 2rqe s ASP 100 Cb -0.01 -0.91 -0.21 0.00 1.07 0.00 0.00 42.92 42.85 2rqe s ASP 100 CO -0.01 0.04 3.19 1.21 1.18 0.00 0.00 175.17 180.79 2rqe n GLU 101 N 3.83 1.73 0.00 8.23 2.13 -1.26 -5.02 120.64 130.28 2rqe n GLU 101 Ca -0.22 -0.80 0.06 0.00 0.66 0.00 0.00 57.16 56.87 2rqe n GLU 101 Cb 0.52 -1.83 0.05 0.00 0.27 0.00 0.00 31.44 30.45 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72