#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 0.40 -1.49 2.98 -0.58 -1.26 -5.02 120.64 115.68 2rqe n GLU 2 Ca 0.00 -3.00 0.00 0.00 -0.42 0.00 0.00 57.16 53.74 2rqe n GLU 2 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 2rqe n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rqe n ALA 3 N 2.36 -1.87 -1.20 0.62 0.00 -1.26 -3.96 120.51 115.20 2rqe n ALA 3 Ca 0.25 0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.84 2rqe n ALA 3 Cb 0.51 -1.40 0.15 0.00 0.00 0.00 0.00 19.45 18.71 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 -4.91 1.07 0.19 0.00 0.04 -1.26 -4.87 135.00 125.27 2rqe s PRO 4 Ca 0.00 0.75 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 2rqe s PRO 4 Cb 0.00 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.66 2rqe s PRO 4 CO 0.00 -2.35 1.30 -1.25 0.04 0.00 0.00 177.00 174.74 2rqe s PRO 5 N -4.94 4.39 0.23 0.56 0.04 -1.26 -4.95 135.00 129.07 2rqe s PRO 5 Ca 0.64 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 63.43 2rqe s PRO 5 Cb -0.18 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.07 2rqe s PRO 5 CO 0.57 -0.25 0.90 0.00 0.04 0.00 0.00 177.00 178.26 2rqe s ALA 6 N 0.14 3.36 -1.14 8.56 0.00 -1.26 -4.58 121.76 126.83 2rqe s ALA 6 Ca 0.57 0.55 -0.10 0.00 0.00 0.00 0.00 51.96 52.98 2rqe s ALA 6 Cb -0.36 -3.14 0.25 0.00 0.00 0.00 0.00 23.12 19.87 2rqe s ALA 6 CO 0.38 0.23 1.26 2.41 0.00 0.00 0.00 175.76 180.04 2rqe n THR 7 N 1.43 4.57 -2.41 0.00 -1.04 0.11 -4.98 114.28 111.94 2rqe n THR 7 Ca -0.03 -5.25 -0.43 0.00 -2.04 0.00 0.00 64.05 56.31 2rqe n THR 7 Cb 0.48 -2.50 -0.02 0.00 -1.82 0.00 0.00 70.33 66.46 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 -0.71 3.64 0.00 -4.42 1.02 -1.26 -2.96 118.68 113.99 2rqe s LEU 8 Ca 0.34 0.81 0.00 0.00 0.02 0.00 0.00 54.13 55.30 2rqe s LEU 8 Cb -0.06 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.61 2rqe s LEU 8 CO -0.04 -1.35 0.00 -0.62 0.02 0.00 0.00 176.35 174.36 2rqe n GLU 9 N 7.92 0.40 -3.53 1.70 -0.58 0.06 -4.75 120.64 121.86 2rqe n GLU 9 Ca 0.15 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.62 2rqe n GLU 9 Cb 0.48 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.24 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 -3.55 2.03 1.02 0.62 0.00 -1.25 -4.52 121.76 116.10 2rqe s ALA 10 Ca 0.00 -2.80 -0.14 0.00 0.00 0.00 0.00 51.96 49.02 2rqe s ALA 10 Cb 0.00 -1.75 0.20 0.00 0.00 0.00 0.00 23.12 21.57 2rqe s ALA 10 CO 0.00 -2.01 1.13 0.42 0.00 0.00 0.00 175.76 175.30 2rqe s ILE 11 N -0.30 1.91 1.16 0.00 -1.09 -1.26 -2.51 121.20 119.12 2rqe s ILE 11 Ca 0.30 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.55 2rqe s ILE 11 Cb 0.00 -2.61 0.19 0.00 -1.58 0.00 0.00 42.46 38.46 2rqe s ILE 11 CO -0.18 0.00 0.34 1.41 -1.23 0.00 0.00 174.94 175.28 2rqe n HIS 12 N -4.16 -1.85 0.49 3.97 8.25 -1.26 -4.63 115.22 116.04 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 -3.02 0.49 -0.58 -0.41 -0.04 -1.26 -2.39 135.00 127.78 2rqe n PRO 13 Ca 0.03 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 2rqe n PRO 13 Cb 0.56 -1.24 0.12 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 0.25 0.92 -2.72 0.54 2.85 -1.25 -4.24 118.16 114.52 2rqe n LYS 14 Ca 0.00 -2.44 0.00 0.00 -1.05 0.00 0.00 58.31 54.82 2rqe n LYS 14 Cb 0.12 -1.09 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 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 -0.73 -1.60 3.39 2.58 0.00 0.16 -4.16 105.19 104.83 2rqe n GLY 15 Ca 0.12 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 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 0.69 0.01 0.99 2.96 -1.21 -4.10 118.68 118.01 2rqe s LEU 16 Ca 0.00 -0.71 0.06 0.00 -0.22 0.00 0.00 54.13 53.26 2rqe s LEU 16 Cb 0.00 1.51 -0.02 0.00 0.50 0.00 0.00 46.19 48.18 2rqe s LEU 16 CO 0.00 -0.93 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.32 2rqe s ARG 17 N -3.92 1.38 -0.28 1.98 3.52 -1.26 -0.08 118.95 120.29 2rqe s ARG 17 Ca 0.13 -0.73 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 2rqe s ARG 17 Cb 0.02 -1.38 0.16 0.00 -1.56 0.00 0.00 34.95 32.18 2rqe s ARG 17 CO -0.02 0.37 0.41 0.08 -0.81 0.00 0.00 175.30 175.32 2rqe s VAL 18 N -0.57 -0.64 0.22 7.11 1.01 -0.68 -0.76 120.40 126.11 2rqe s VAL 18 Ca 0.06 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 61.90 2rqe s VAL 18 Cb -0.07 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2rqe s VAL 18 CO 0.00 -0.24 -0.09 -0.55 0.00 0.00 0.00 175.10 174.22 2rqe s SER 19 N 2.55 4.19 0.03 3.32 0.15 -1.15 -2.38 113.70 120.40 2rqe s SER 19 Ca 0.11 -0.69 -0.00 0.00 0.70 0.00 0.00 55.95 56.06 2rqe s SER 19 Cb -0.13 -0.66 -0.02 0.00 -1.71 0.00 0.00 66.02 63.49 2rqe s SER 19 CO -0.27 0.06 -0.03 0.68 1.20 0.00 0.00 173.24 174.88 2rqe s VAL 20 N -2.03 0.13 0.01 4.45 -7.23 -0.59 0.04 120.40 115.19 2rqe s VAL 20 Ca 0.27 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 2rqe s VAL 20 Cb -0.07 -0.47 -0.06 0.00 0.56 0.00 0.00 36.38 36.34 2rqe s VAL 20 CO 0.16 -0.58 1.44 -2.16 -0.31 0.00 0.00 175.10 173.65 2rqe s PRO 21 N -1.86 4.27 -1.13 4.82 0.04 -1.26 -1.87 135.00 138.00 2rqe s PRO 21 Ca -0.12 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 2rqe s PRO 21 Cb -0.07 -3.57 0.13 0.00 0.04 0.00 0.00 34.50 31.03 2rqe s PRO 21 CO -0.02 -0.60 1.40 0.34 0.04 0.00 0.00 177.00 178.16 2rqe s ASP 22 N 1.94 6.87 0.00 6.66 2.15 -1.26 -4.79 116.67 128.24 2rqe s ASP 22 Ca 0.65 -2.52 0.17 0.00 0.43 0.00 0.00 52.55 51.29 2rqe s ASP 22 Cb -0.33 -2.44 1.04 0.00 -0.30 0.00 0.00 42.92 40.89 2rqe s ASP 22 CO 0.27 -0.96 1.45 -0.62 -0.17 0.00 0.00 175.17 175.14 2rqe n GLU 23 N 6.59 0.53 0.00 4.34 1.02 -1.26 -4.58 120.64 127.28 2rqe n GLU 23 Ca 0.35 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2rqe n GLU 23 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 0.10 0.55 3.84 0.62 0.00 -1.26 -5.15 105.19 103.88 2rqe n GLY 24 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.55 2.90 0.00 1.61 0.08 -1.26 -4.30 117.98 116.46 2rqe s PHE 25 Ca 0.00 0.98 0.00 0.00 0.12 0.00 0.00 56.93 58.03 2rqe s PHE 25 Cb 0.00 -3.24 0.00 0.00 -0.57 0.00 0.00 43.02 39.21 2rqe s PHE 25 CO 0.00 -1.76 0.00 0.45 -0.10 0.00 0.00 175.22 173.81 2rqe n SER 26 N -3.38 2.02 -3.66 1.36 2.88 0.68 -4.92 113.62 108.59 2rqe n SER 26 Ca 0.07 -0.18 -0.12 0.00 -1.33 0.00 0.00 58.87 57.31 2rqe n SER 26 Cb 0.58 0.77 -0.08 0.00 -0.75 0.00 0.00 64.21 64.73 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 -1.94 -0.43 0.05 2.46 1.98 -1.21 -4.50 118.68 115.09 2rqe s LEU 27 Ca 0.00 1.25 0.05 0.00 -2.89 0.00 0.00 54.13 52.54 2rqe s LEU 27 Cb 0.00 2.08 -0.03 0.00 0.66 0.00 0.00 46.19 48.90 2rqe s LEU 27 CO 0.00 -0.22 -0.13 0.12 -1.89 0.00 0.00 176.35 174.23 2rqe s PHE 28 N 0.70 1.15 0.10 5.38 5.36 0.60 -1.88 117.98 129.40 2rqe s PHE 28 Ca -0.03 -0.41 0.03 0.00 -0.96 0.00 0.00 56.93 55.56 2rqe s PHE 28 Cb -0.05 -0.67 -0.04 0.00 -0.34 0.00 0.00 43.02 41.93 2rqe s PHE 28 CO -0.05 0.03 -0.08 0.00 -1.46 0.00 0.00 175.22 173.66 2rqe s ALA 29 N -1.09 1.07 -0.07 11.12 0.00 -0.71 0.85 121.76 132.93 2rqe s ALA 29 Ca -0.01 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.69 2rqe s ALA 29 Cb -0.09 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.14 2rqe s ALA 29 CO 0.02 -0.13 -0.08 -0.06 0.00 0.00 0.00 175.76 175.50 2rqe s PHE 30 N -3.02 1.21 -0.43 0.00 0.40 0.94 -3.56 117.98 113.52 2rqe s PHE 30 Ca 0.09 -0.46 0.06 0.00 -0.60 0.00 0.00 56.93 56.02 2rqe s PHE 30 Cb 0.01 -0.97 0.17 0.00 0.51 0.00 0.00 43.02 42.75 2rqe s PHE 30 CO -0.02 -0.30 0.54 -1.01 0.70 0.00 0.00 175.22 175.12 2rqe s HIS 31 N 1.02 -0.83 0.28 0.36 3.76 -1.25 -2.23 115.29 116.40 2rqe s HIS 31 Ca -0.08 -0.70 -0.04 0.00 -0.15 0.00 0.00 55.06 54.08 2rqe s HIS 31 Cb -0.14 -0.09 -0.01 0.00 1.11 0.00 0.00 32.58 33.44 2rqe s HIS 31 CO -0.00 -1.09 0.36 0.20 -0.85 0.00 0.00 174.74 173.36 2rqe s GLY 32 N 1.17 1.29 0.00 -2.22 0.00 -1.24 -3.65 107.32 102.67 2rqe s GLY 32 Ca 0.23 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.51 2rqe s GLY 32 CO -0.07 -1.05 0.00 0.28 0.00 0.00 0.00 173.10 172.26 2rqe n LYS 33 N -0.44 1.03 -4.20 2.90 5.02 -1.26 -1.68 118.16 119.54 2rqe n LYS 33 Ca 0.01 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.14 2rqe n LYS 33 Cb 0.63 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.51 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 2.15 -0.70 -0.35 2.96 -1.26 -4.21 118.68 117.27 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 -0.35 0.00 0.00 0.50 0.00 0.00 46.19 46.34 2rqe s LEU 34 CO 0.00 -0.04 0.00 0.59 -1.32 0.00 0.00 176.35 175.58 2rqe n ASN 35 N 2.10 -2.79 -3.64 3.68 3.02 -1.22 -4.86 115.26 111.54 2rqe n ASN 35 Ca -0.18 0.29 -0.06 0.00 -0.03 0.00 0.00 54.58 54.60 2rqe n ASN 35 Cb 0.56 -2.46 -0.07 0.00 -0.61 0.00 0.00 39.78 37.20 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 -4.76 0.45 0.26 3.52 2.12 -1.26 -5.13 118.70 113.91 2rqe s GLU 36 Ca 0.00 0.66 0.08 0.00 0.36 0.00 0.00 54.97 56.07 2rqe s GLU 36 Cb 0.00 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 2rqe s GLU 36 CO 0.00 -0.07 0.13 -1.83 -0.54 0.00 0.00 175.26 172.94 2rqe s GLU 37 N 0.84 2.69 0.22 4.30 -1.05 -1.26 -4.44 118.70 120.00 2rqe s GLU 37 Ca -0.03 -1.20 0.03 0.00 -0.15 0.00 0.00 54.97 53.62 2rqe s GLU 37 Cb -0.04 -2.41 0.03 0.00 -0.44 0.00 0.00 34.13 31.27 2rqe s GLU 37 CO -0.11 0.38 0.27 0.00 0.95 0.00 0.00 175.26 176.74 2rqe n MET 38 N -1.08 0.95 -3.82 -4.83 0.00 -1.26 -5.11 117.12 101.96 2rqe n MET 38 Ca -0.07 -1.25 -0.12 0.00 0.00 0.00 0.00 57.70 56.25 2rqe n MET 38 Cb 0.58 -0.02 -0.10 0.00 0.00 0.00 0.00 33.22 33.68 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 -2.98 0.42 -1.25 3.17 2.12 -1.26 -4.86 118.70 114.06 2rqe s GLU 39 Ca 0.20 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.46 2rqe s GLU 39 Cb -0.02 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.56 2rqe s GLU 39 CO 0.13 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 2rqe n GLY 40 N 2.04 1.04 3.01 -1.50 0.00 -1.26 -4.07 105.19 104.45 2rqe n GLY 40 Ca -0.18 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.46 -5.80 0.00 0.99 4.77 -1.26 -5.04 117.00 109.20 2rqe n LEU 41 Ca -0.13 0.70 -0.04 0.00 -0.03 0.00 0.00 56.01 56.52 2rqe n LEU 41 Cb 0.44 -2.55 -0.01 0.00 -2.33 0.00 0.00 43.42 38.97 2rqe n LEU 41 CO 0.18 -2.01 -0.03 -1.84 -1.33 0.00 0.00 177.39 172.37 2rqe n GLU 42 N 0.55 0.99 -3.08 3.23 0.28 -1.26 -5.11 120.64 116.25 2rqe n GLU 42 Ca 0.01 -0.54 -0.44 0.00 -0.16 0.00 0.00 57.16 56.03 2rqe n GLU 42 Cb 0.35 0.27 -0.06 0.00 1.43 0.00 0.00 31.44 33.44 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 -2.17 3.33 0.00 -1.84 0.00 -1.26 -4.92 121.76 114.90 2rqe s ALA 43 Ca 0.03 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.34 2rqe s ALA 43 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2rqe s ALA 43 CO 0.02 -2.13 0.00 0.41 0.00 0.00 0.00 175.76 174.06 2rqe n GLY 44 N 5.17 -3.30 0.08 0.00 0.00 -1.26 -4.98 105.19 100.90 2rqe n GLY 44 Ca -0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.81 1.61 -0.00 -1.03 -4.91 115.22 109.08 2rqe n HIS 45 Ca 0.00 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 2rqe n HIS 45 Cb 0.00 -0.23 -0.00 0.00 -0.12 0.00 0.00 29.99 29.64 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 -1.89 2.62 -0.10 1.57 0.51 -0.67 -4.91 118.94 116.06 2rqe s TRP 46 Ca -0.13 1.12 -0.03 0.00 -2.12 0.00 0.00 56.10 54.94 2rqe s TRP 46 Cb 0.02 -4.02 0.04 0.00 -0.81 0.00 0.00 33.47 28.70 2rqe s TRP 46 CO 0.20 -3.04 0.07 -1.54 -0.51 0.00 0.00 176.95 172.12 2rqe s SER 47 N -0.07 1.71 0.05 2.95 1.04 -1.25 -3.64 113.70 114.48 2rqe s SER 47 Ca 0.54 -0.24 -0.22 0.00 0.48 0.00 0.00 55.95 56.51 2rqe s SER 47 Cb -0.46 -0.21 0.05 0.00 0.10 0.00 0.00 66.02 65.50 2rqe s SER 47 CO 0.61 -0.29 0.50 -0.60 0.98 0.00 0.00 173.24 174.44 2rqe s ARG 48 N 2.14 1.01 -0.20 4.02 3.00 -0.95 -4.99 118.95 122.99 2rqe s ARG 48 Ca 0.04 -0.26 -0.04 0.00 -1.00 0.00 0.00 55.73 54.47 2rqe s ARG 48 Cb -0.14 0.46 0.09 0.00 0.00 0.00 0.00 34.95 35.36 2rqe s ARG 48 CO -0.06 -0.36 0.20 -0.51 0.00 0.00 0.00 175.30 174.57 2rqe s ASP 49 N -1.98 1.56 -0.18 -2.12 1.01 -1.26 -0.04 116.67 113.66 2rqe s ASP 49 Ca -0.05 -0.31 -0.17 0.00 0.71 0.00 0.00 52.55 52.72 2rqe s ASP 49 Cb -0.01 0.28 -0.04 0.00 1.01 0.00 0.00 42.92 44.17 2rqe s ASP 49 CO -0.02 -0.33 0.47 -0.63 0.21 0.00 0.00 175.17 174.87 2rqe s ILE 50 N 2.29 5.16 -0.37 0.77 -1.09 0.25 -4.95 121.20 123.26 2rqe s ILE 50 Ca 0.06 0.87 0.06 0.00 -2.23 0.00 0.00 60.65 59.41 2rqe s ILE 50 Cb -0.16 -3.80 0.50 0.00 -1.58 0.00 0.00 42.46 37.43 2rqe s ILE 50 CO -0.12 0.23 1.55 0.35 -1.23 0.00 0.00 174.94 175.72 2rqe n THR 51 N 4.29 2.80 0.00 2.92 -2.24 -1.26 -0.29 114.28 120.50 2rqe n THR 51 Ca -0.06 -3.04 0.00 0.00 -2.27 0.00 0.00 64.05 58.68 2rqe n THR 51 Cb 0.51 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.01 0.00 -0.63 -0.78 4.81 -1.26 -4.92 118.16 114.36 2rqe n LYS 52 Ca 0.43 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.69 2rqe n LYS 52 Cb 1.02 0.00 0.15 0.00 0.02 0.00 0.00 35.03 36.22 2rqe n LYS 52 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2rqe n PRO 53 N -0.15 -2.33 0.00 1.64 -0.04 -1.26 -4.99 135.00 127.87 2rqe n PRO 53 Ca 0.00 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 2rqe n PRO 53 Cb 0.00 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2rqe n PRO 53 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2rqe n LYS 54 N -3.56 0.08 -2.10 0.54 2.85 -1.22 -4.90 118.16 109.85 2rqe n LYS 54 Ca 0.09 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.24 2rqe n LYS 54 Cb 0.36 -0.52 0.05 0.00 -0.65 0.00 0.00 35.03 34.27 2rqe n LYS 54 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2rqe n ASN 55 N -1.16 3.21 0.00 -5.58 4.13 -1.26 -4.94 115.26 109.66 2rqe n ASN 55 Ca 0.00 -3.07 0.00 0.00 1.68 0.00 0.00 54.58 53.19 2rqe n ASN 55 Cb 0.02 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 2rqe n ASN 55 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2rqe n GLY 56 N -0.63 2.89 3.56 7.41 0.00 -1.26 -4.98 105.19 112.18 2rqe n GLY 56 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.12 1.89 -0.78 1.61 1.81 -1.26 -4.24 118.95 117.86 2rqe s ARG 57 Ca 0.00 -2.11 -0.19 0.00 -1.72 0.00 0.00 55.73 51.71 2rqe s ARG 57 Cb 0.00 -1.10 0.13 0.00 -0.45 0.00 0.00 34.95 33.52 2rqe s ARG 57 CO 0.00 -0.26 0.93 -1.58 -0.68 0.00 0.00 175.30 173.71 2rqe s TRP 58 N -3.07 3.11 -0.06 -0.53 0.52 -0.78 -3.40 118.94 114.72 2rqe s TRP 58 Ca 0.27 -1.22 -0.08 0.00 0.02 0.00 0.00 56.10 55.09 2rqe s TRP 58 Cb 0.06 -4.14 -0.04 0.00 -1.15 0.00 0.00 33.47 28.20 2rqe s TRP 58 CO 0.13 -1.39 0.22 0.42 0.02 0.00 0.00 176.95 176.35 2rqe s ILE 59 N 2.54 5.37 0.05 2.03 1.01 -1.26 -1.54 121.20 129.41 2rqe s ILE 59 Ca 0.23 0.30 0.02 0.00 0.00 0.00 0.00 60.65 61.19 2rqe s ILE 59 Cb -0.13 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 2rqe s ILE 59 CO -0.02 0.54 -0.07 0.12 0.00 0.00 0.00 174.94 175.52 2rqe s PHE 60 N -1.11 0.68 -0.06 3.97 5.36 -1.00 -4.96 117.98 120.86 2rqe s PHE 60 Ca 0.20 -0.64 -0.04 0.00 -0.96 0.00 0.00 56.93 55.49 2rqe s PHE 60 Cb -0.13 -0.41 0.02 0.00 -0.34 0.00 0.00 43.02 42.16 2rqe s PHE 60 CO 0.09 -0.13 0.15 -0.98 -1.46 0.00 0.00 175.22 172.89 2rqe s ARG 61 N -2.27 0.15 0.54 10.12 3.03 -1.26 -1.68 118.95 127.58 2rqe s ARG 61 Ca -0.04 0.25 0.05 0.00 2.03 0.00 0.00 55.73 58.02 2rqe s ARG 61 Cb -0.05 0.01 0.03 0.00 -1.03 0.00 0.00 34.95 33.91 2rqe s ARG 61 CO -0.02 -0.06 0.35 -0.51 -1.13 0.00 0.00 175.30 173.93 2rqe s ASP 62 N 0.38 4.57 0.00 -2.89 1.01 0.88 -4.93 116.67 115.68 2rqe s ASP 62 Ca -0.03 -1.30 0.00 0.00 0.71 0.00 0.00 52.55 51.94 2rqe s ASP 62 Cb -0.04 0.42 0.00 0.00 1.01 0.00 0.00 42.92 44.31 2rqe s ASP 62 CO -0.02 -1.06 0.52 0.54 0.21 0.00 0.00 175.17 175.36 2rqe n ARG 63 N -1.69 0.00 0.00 8.23 1.74 -1.26 -3.31 116.66 120.36 2rqe n ARG 63 Ca -0.04 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 2rqe n ARG 63 Cb 0.65 -0.48 0.00 0.00 -1.02 0.00 0.00 32.46 31.61 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 1.26 -4.41 0.55 0.23 -1.26 -4.31 115.26 107.32 2rqe n ASN 64 Ca 0.00 -1.54 -0.44 0.00 -0.53 0.00 0.00 54.58 52.07 2rqe n ASN 64 Cb 0.52 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.16 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 -0.54 3.41 -0.93 -2.53 0.00 -1.26 -4.83 121.76 115.08 2rqe s ALA 65 Ca 0.00 -1.98 -0.10 0.00 0.00 0.00 0.00 51.96 49.88 2rqe s ALA 65 Cb 0.00 -3.41 0.24 0.00 0.00 0.00 0.00 23.12 19.94 2rqe s ALA 65 CO 0.00 -2.14 0.87 0.00 0.00 0.00 0.00 175.76 174.49 2rqe s ALA 66 N 2.59 4.31 0.23 0.00 0.00 -1.26 -0.67 121.76 126.96 2rqe s ALA 66 Ca 0.13 -3.58 0.00 0.00 0.00 0.00 0.00 51.96 48.51 2rqe s ALA 66 Cb -0.22 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2rqe s ALA 66 CO 0.09 -2.22 0.14 -0.48 0.00 0.00 0.00 175.76 173.29 2rqe s LEU 67 N -0.58 1.33 0.20 0.00 -0.00 -1.26 -4.95 118.68 113.41 2rqe s LEU 67 Ca 0.24 -1.43 -0.19 0.00 -0.00 0.00 0.00 54.13 52.75 2rqe s LEU 67 Cb -0.11 0.31 0.03 0.00 -0.00 0.00 0.00 46.19 46.42 2rqe s LEU 67 CO -0.08 -0.84 0.56 -1.59 -0.00 0.00 0.00 176.35 174.40 2rqe s LYS 68 N -4.06 1.41 -0.24 1.48 0.00 -1.26 -4.25 119.74 112.83 2rqe s LYS 68 Ca 0.39 -0.82 -0.29 0.00 0.00 0.00 0.00 55.97 55.25 2rqe s LYS 68 Cb 0.07 0.54 -0.13 0.00 0.00 0.00 0.00 37.83 38.31 2rqe s LYS 68 CO 0.14 -0.61 0.95 -0.89 0.00 0.00 0.00 175.35 174.94 2rqe n ILE 69 N -0.36 0.00 0.00 3.79 2.08 -1.26 -1.39 119.36 122.22 2rqe n ILE 69 Ca -0.10 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.21 2rqe n ILE 69 Cb 0.62 -0.24 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 2.16 0.84 2.22 7.39 0.00 -0.73 -5.04 105.19 112.03 2rqe n GLY 70 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.90 -4.13 1.61 9.92 -0.49 -4.67 116.55 115.90 2rqe n ASP 71 Ca 0.00 -0.71 -0.11 0.00 -0.53 0.00 0.00 54.79 53.44 2rqe n ASP 71 Cb 0.00 -0.67 -0.09 0.00 -0.64 0.00 0.00 41.12 39.72 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 -4.50 1.27 -0.05 -1.24 1.02 -1.26 -1.03 119.74 113.94 2rqe s LYS 72 Ca 0.46 -1.49 -0.11 0.00 0.02 0.00 0.00 55.97 54.85 2rqe s LYS 72 Cb -0.07 0.33 0.02 0.00 -0.52 0.00 0.00 37.83 37.59 2rqe s LYS 72 CO 0.38 -0.45 0.26 0.42 -0.92 0.00 0.00 175.35 175.04 2rqe s ILE 73 N -4.10 0.03 -0.26 2.17 1.01 0.32 -3.46 121.20 116.91 2rqe s ILE 73 Ca 0.32 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 2rqe s ILE 73 Cb 0.05 -0.48 0.13 0.00 0.01 0.00 0.00 42.46 42.17 2rqe s ILE 73 CO 0.10 -0.16 0.31 -0.31 0.00 0.00 0.00 174.94 174.88 2rqe s TYR 74 N -0.64 -0.58 0.00 3.97 1.51 -1.26 0.82 117.35 121.17 2rqe s TYR 74 Ca -0.07 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.24 2rqe s TYR 74 Cb -0.04 -0.27 0.00 0.00 -0.11 0.00 0.00 41.96 41.54 2rqe s TYR 74 CO 0.02 -0.80 0.00 1.97 -1.11 0.00 0.00 175.55 175.63 2rqe n PHE 75 N 5.33 -0.07 -3.78 2.71 -1.74 -1.26 -4.24 117.46 114.40 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 0.49 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.41 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 -3.22 -0.05 0.08 2.97 -2.14 -1.24 -3.17 118.94 112.17 2rqe s TRP 76 Ca 0.00 -0.15 0.08 0.00 2.66 0.00 0.00 56.10 58.70 2rqe s TRP 76 Cb 0.00 0.06 -0.03 0.00 -3.10 0.00 0.00 33.47 30.40 2rqe s TRP 76 CO 0.00 -0.50 -0.22 0.95 -2.66 0.00 0.00 176.95 174.52 2rqe s THR 77 N -2.74 1.78 0.10 0.66 -4.23 -1.26 -3.80 115.64 106.15 2rqe s THR 77 Ca -0.04 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2rqe s THR 77 Cb -0.00 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.22 2rqe s THR 77 CO -0.05 0.10 0.08 0.12 -0.54 0.00 0.00 174.62 174.34 2rqe s PHE 78 N -0.97 3.15 0.21 3.99 5.36 -1.23 -1.49 117.98 127.01 2rqe s PHE 78 Ca 0.08 0.04 -0.07 0.00 -0.96 0.00 0.00 56.93 56.03 2rqe s PHE 78 Cb -0.09 -1.58 -0.02 0.00 -0.34 0.00 0.00 43.02 40.98 2rqe s PHE 78 CO 0.03 0.52 0.28 0.14 -1.46 0.00 0.00 175.22 174.73 2rqe s VAL 79 N -1.46 0.01 -0.33 3.12 -7.23 -0.42 -1.73 120.40 112.36 2rqe s VAL 79 Ca 0.29 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 2rqe s VAL 79 Cb -0.12 -2.30 0.16 0.00 0.56 0.00 0.00 36.38 34.67 2rqe s VAL 79 CO 0.22 -0.04 0.39 -0.63 -0.31 0.00 0.00 175.10 174.73 2rqe s ILE 80 N -4.08 -0.51 -0.09 -0.62 1.01 -0.78 -1.80 121.20 114.33 2rqe s ILE 80 Ca 0.30 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.40 2rqe s ILE 80 Cb 0.04 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 2rqe s ILE 80 CO 0.09 -0.41 -0.10 -0.75 0.00 0.00 0.00 174.94 173.78 2rqe s LYS 81 N 2.06 2.93 -1.61 2.79 2.20 -1.26 -0.23 119.74 126.62 2rqe s LYS 81 Ca 0.13 -0.62 -0.18 0.00 -0.36 0.00 0.00 55.97 54.94 2rqe s LYS 81 Cb -0.13 -2.58 0.17 0.00 -1.51 0.00 0.00 37.83 33.78 2rqe s LYS 81 CO -0.20 0.50 0.64 -3.47 -0.36 0.00 0.00 175.35 172.47 2rqe n ASP 82 N 2.69 -2.74 -3.24 1.43 2.03 -1.26 0.79 116.55 116.25 2rqe n ASP 82 Ca -0.18 -0.92 -0.23 0.00 0.52 0.00 0.00 54.79 53.99 2rqe n ASP 82 Cb 0.53 -2.29 0.02 0.00 -0.72 0.00 0.00 41.12 38.66 2rqe n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rqe n GLY 83 N -1.19 -0.51 0.09 0.27 0.00 -1.26 -4.89 105.19 97.70 2rqe n GLY 83 Ca 0.08 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.97 1.91 -0.15 0.99 4.77 0.24 -5.12 117.00 115.67 2rqe n LEU 84 Ca -0.06 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2rqe n LEU 84 Cb 0.58 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2rqe n LEU 84 CO 0.51 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2rqe n GLY 85 N 1.48 0.13 3.66 -0.72 0.00 -1.26 -4.94 105.19 103.54 2rqe n GLY 85 Ca -0.15 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 1.83 -0.30 1.61 2.02 -0.74 -4.97 117.35 116.80 2rqe s TYR 86 Ca 0.00 -1.10 -0.16 0.00 -0.37 0.00 0.00 57.07 55.44 2rqe s TYR 86 Cb 0.00 -1.42 0.21 0.00 -0.40 0.00 0.00 41.96 40.35 2rqe s TYR 86 CO 0.00 0.01 1.26 0.50 -1.57 0.00 0.00 175.55 175.74 2rqe s ARG 87 N -3.80 0.06 0.16 -0.62 3.00 -1.26 -1.30 118.95 115.18 2rqe s ARG 87 Ca 0.13 0.10 -0.03 0.00 -1.00 0.00 0.00 55.73 54.93 2rqe s ARG 87 Cb 0.02 0.01 0.04 0.00 0.00 0.00 0.00 34.95 35.02 2rqe s ARG 87 CO 0.08 -0.01 0.12 0.94 0.00 0.00 0.00 175.30 176.43 2rqe n GLN 88 N 3.05 -1.77 -1.49 5.12 -0.06 -0.55 -4.71 117.38 116.97 2rqe n GLN 88 Ca -0.17 -0.20 0.00 0.00 -2.00 0.00 0.00 57.00 54.63 2rqe n GLN 88 Cb 0.56 -0.21 0.00 0.00 -4.06 0.00 0.00 30.24 26.53 2rqe n GLN 88 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2rqe n ASP 89 N -3.28 0.00 0.00 1.69 2.03 -1.26 -4.62 116.55 111.11 2rqe n ASP 89 Ca 0.02 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.35 2rqe n ASP 89 Cb 0.07 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2rqe n ASP 89 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2rqe n ASN 90 N -0.47 0.00 -3.45 1.67 2.85 -1.26 -4.66 115.26 109.94 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 0.02 0.00 1.24 0.00 0.00 39.78 41.04 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 -0.64 3.37 8.20 0.00 -1.19 -4.90 105.19 110.03 2rqe n GLY 91 Ca 0.00 0.95 0.02 0.00 0.00 0.00 0.00 46.02 46.99 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 -3.28 0.34 -0.26 1.61 2.12 -1.20 -4.33 118.70 113.69 2rqe s GLU 92 Ca 0.21 0.80 -0.08 0.00 0.36 0.00 0.00 54.97 56.26 2rqe s GLU 92 Cb -0.03 0.47 0.12 0.00 0.26 0.00 0.00 34.13 34.96 2rqe s GLU 92 CO 0.85 -0.18 0.56 -1.58 -0.54 0.00 0.00 175.26 174.37 2rqe s TRP 93 N 2.63 -1.17 0.08 5.30 0.51 0.24 -4.94 118.94 121.59 2rqe s TRP 93 Ca -0.00 1.94 -0.16 0.00 -2.12 0.00 0.00 56.10 55.76 2rqe s TRP 93 Cb -0.08 0.59 -0.06 0.00 -0.81 0.00 0.00 33.47 33.10 2rqe s TRP 93 CO -0.17 -0.63 0.52 0.99 -0.51 0.00 0.00 176.95 177.14 2rqe s THR 94 N 2.79 4.87 -0.37 2.01 2.01 -1.26 0.12 115.64 125.80 2rqe s THR 94 Ca -0.01 0.95 -0.29 0.00 0.31 0.00 0.00 61.69 62.65 2rqe s THR 94 Cb -0.12 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.61 2rqe s THR 94 CO -0.17 0.43 1.31 -0.69 -0.69 0.00 0.00 174.62 174.81 2rqe s VAL 95 N -1.25 4.08 0.00 3.82 1.01 -0.20 -4.79 120.40 123.07 2rqe s VAL 95 Ca 0.31 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2rqe s VAL 95 Cb -0.17 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.96 2rqe s VAL 95 CO 0.18 -0.66 0.45 -0.62 0.00 0.00 0.00 175.10 174.44 2rqe n GLU 96 N 7.66 0.37 -3.57 2.72 1.02 -1.26 -1.78 120.64 125.81 2rqe n GLU 96 Ca 0.15 -0.55 -0.21 0.00 -0.02 0.00 0.00 57.16 56.54 2rqe n GLU 96 Cb 0.47 -0.71 -0.03 0.00 -0.02 0.00 0.00 31.44 31.15 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 3.46 3.37 0.62 0.00 -1.26 -5.06 105.19 106.21 2rqe n GLY 97 Ca 0.00 -2.30 -0.11 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.11 -0.36 0.09 1.61 5.36 -1.26 -3.85 117.98 117.45 2rqe s PHE 98 Ca 0.07 0.10 -0.09 0.00 -0.96 0.00 0.00 56.93 56.05 2rqe s PHE 98 Cb -0.01 0.40 0.03 0.00 -0.34 0.00 0.00 43.02 43.11 2rqe s PHE 98 CO 0.04 -0.77 0.45 1.33 -1.46 0.00 0.00 175.22 174.82 2rqe n VAL 99 N -0.28 0.00 -3.76 3.12 0.24 -1.04 -4.61 118.33 111.99 2rqe n VAL 99 Ca -0.17 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 61.74 2rqe n VAL 99 Cb 0.64 0.36 -0.11 0.00 -1.47 0.00 0.00 33.84 33.25 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 -2.08 -0.31 0.00 -1.34 1.11 -1.26 -4.12 116.67 108.67 2rqe s ASP 100 Ca 0.10 0.60 -0.04 0.00 0.18 0.00 0.00 52.55 53.39 2rqe s ASP 100 Cb -0.01 0.57 -0.18 0.00 1.07 0.00 0.00 42.92 44.37 2rqe s ASP 100 CO 0.03 -0.12 3.01 1.21 1.18 0.00 0.00 175.17 180.48 2rqe n GLU 101 N 3.23 1.62 0.00 8.23 2.13 -1.26 -5.04 120.64 129.55 2rqe n GLU 101 Ca -0.16 -0.65 0.00 0.00 0.66 0.00 0.00 57.16 57.01 2rqe n GLU 101 Cb 0.57 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.61 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72