#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 0.71 0.39 2.98 0.41 -1.26 -5.04 118.70 116.89 2rqe s GLU 2 Ca 0.00 -1.55 0.00 0.00 -0.41 0.00 0.00 54.97 53.01 2rqe s GLU 2 Cb 0.00 -1.22 0.00 0.00 -1.78 0.00 0.00 34.13 31.13 2rqe s GLU 2 CO 0.00 -1.28 0.00 0.00 -0.49 0.00 0.00 175.26 173.49 2rqe n ALA 3 N 3.57 -1.80 -1.18 5.21 0.00 -1.26 -4.03 120.51 121.02 2rqe n ALA 3 Ca 0.19 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.67 2rqe n ALA 3 Cb 0.43 -1.17 0.16 0.00 0.00 0.00 0.00 19.45 18.87 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 -4.44 0.83 0.19 0.00 0.04 -1.26 -4.86 135.00 125.49 2rqe s PRO 4 Ca 0.00 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 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 -2.50 1.31 -1.25 0.04 0.00 0.00 177.00 174.60 2rqe s PRO 5 N -4.95 4.39 0.12 0.56 0.04 -1.26 -4.97 135.00 128.94 2rqe s PRO 5 Ca 0.64 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 63.44 2rqe s PRO 5 Cb -0.18 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 2rqe s PRO 5 CO 0.57 -0.25 0.89 0.00 0.04 0.00 0.00 177.00 178.25 2rqe s ALA 6 N 0.16 3.31 -1.16 8.56 0.00 -1.26 -4.61 121.76 126.76 2rqe s ALA 6 Ca 0.57 0.49 -0.10 0.00 0.00 0.00 0.00 51.96 52.92 2rqe s ALA 6 Cb -0.36 -3.17 0.24 0.00 0.00 0.00 0.00 23.12 19.83 2rqe s ALA 6 CO 0.38 0.07 1.35 2.41 0.00 0.00 0.00 175.76 179.97 2rqe n THR 7 N 2.46 4.56 -2.57 0.00 -1.04 0.16 -4.97 114.28 112.88 2rqe n THR 7 Ca -0.00 -5.16 -0.43 0.00 -2.04 0.00 0.00 64.05 56.42 2rqe n THR 7 Cb 0.49 -2.45 -0.02 0.00 -1.82 0.00 0.00 70.33 66.53 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 -0.48 3.63 0.00 -4.42 1.02 -1.26 -2.57 118.68 114.60 2rqe s LEU 8 Ca 0.36 0.52 0.00 0.00 0.02 0.00 0.00 54.13 55.02 2rqe s LEU 8 Cb -0.04 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.63 2rqe s LEU 8 CO -0.02 -1.27 0.00 -0.62 0.02 0.00 0.00 176.35 174.46 2rqe n GLU 9 N 7.86 0.43 -3.52 1.70 -0.58 0.89 -4.72 120.64 122.70 2rqe n GLU 9 Ca 0.13 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.59 2rqe n GLU 9 Cb 0.49 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.25 2rqe n GLU 9 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rqe s ALA 10 N -3.98 1.99 1.05 0.62 0.00 0.70 -4.53 121.76 117.62 2rqe s ALA 10 Ca 0.00 -2.79 -0.15 0.00 0.00 0.00 0.00 51.96 49.03 2rqe s ALA 10 Cb 0.00 -1.74 0.22 0.00 0.00 0.00 0.00 23.12 21.60 2rqe s ALA 10 CO 0.00 -2.01 1.11 0.42 0.00 0.00 0.00 175.76 175.29 2rqe s ILE 11 N -0.30 1.88 1.16 0.00 -1.09 -1.26 -2.77 121.20 118.83 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 -2.54 0.18 0.00 -1.58 0.00 0.00 42.46 38.53 2rqe s ILE 11 CO -0.19 0.00 0.30 1.41 -1.23 0.00 0.00 174.94 175.24 2rqe n HIS 12 N -4.30 -1.81 0.49 3.97 8.25 -1.25 -4.62 115.22 115.94 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 -1.53 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 -2.90 0.49 -0.49 -0.41 -0.04 -1.26 -2.36 135.00 128.02 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 0.11 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 0.93 -2.78 0.54 2.85 -1.25 -4.29 118.16 114.41 2rqe n LYS 14 Ca 0.00 -2.38 0.00 0.00 -1.05 0.00 0.00 58.31 54.88 2rqe n LYS 14 Cb 0.12 -1.12 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 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 -0.80 -1.58 3.38 2.58 0.00 -0.36 -4.14 105.19 104.28 2rqe n GLY 15 Ca 0.12 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.03 0.99 2.96 -1.23 -4.09 118.68 117.97 2rqe s LEU 16 Ca 0.00 -0.68 0.04 0.00 -0.22 0.00 0.00 54.13 53.27 2rqe s LEU 16 Cb 0.00 1.53 -0.01 0.00 0.50 0.00 0.00 46.19 48.21 2rqe s LEU 16 CO 0.00 -0.92 -0.16 -0.60 -1.32 0.00 0.00 176.35 173.35 2rqe s ARG 17 N -3.91 1.44 -0.22 1.98 3.52 -1.26 -0.09 118.95 120.41 2rqe s ARG 17 Ca 0.12 -0.55 -0.03 0.00 -0.13 0.00 0.00 55.73 55.14 2rqe s ARG 17 Cb 0.02 -1.32 0.10 0.00 -1.56 0.00 0.00 34.95 32.19 2rqe s ARG 17 CO -0.03 0.28 0.24 0.08 -0.81 0.00 0.00 175.30 175.05 2rqe s VAL 18 N -0.14 -0.34 0.21 7.11 1.01 -0.61 -0.08 120.40 127.56 2rqe s VAL 18 Ca 0.01 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 61.90 2rqe s VAL 18 Cb -0.09 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2rqe s VAL 18 CO 0.01 -0.26 -0.20 -0.55 0.00 0.00 0.00 175.10 174.10 2rqe s SER 19 N 2.34 3.14 0.02 3.32 0.15 -1.06 -1.97 113.70 119.63 2rqe s SER 19 Ca 0.08 -0.92 -0.02 0.00 0.70 0.00 0.00 55.95 55.79 2rqe s SER 19 Cb -0.15 -0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 63.92 2rqe s SER 19 CO -0.16 0.02 0.02 0.68 1.20 0.00 0.00 173.24 175.00 2rqe s VAL 20 N -2.12 0.11 -0.05 4.45 -7.23 -0.86 0.40 120.40 115.11 2rqe s VAL 20 Ca 0.21 -0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 59.17 2rqe s VAL 20 Cb -0.06 -0.41 -0.05 0.00 0.56 0.00 0.00 36.38 36.42 2rqe s VAL 20 CO 0.10 -0.51 1.49 -2.16 -0.31 0.00 0.00 175.10 173.71 2rqe s PRO 21 N -1.65 4.23 -0.06 4.82 0.04 -1.26 -2.26 135.00 138.85 2rqe s PRO 21 Ca -0.14 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 2rqe s PRO 21 Cb -0.08 -3.76 -0.03 0.00 0.04 0.00 0.00 34.50 30.67 2rqe s PRO 21 CO -0.01 -0.71 0.83 0.34 0.04 0.00 0.00 177.00 177.48 2rqe s ASP 22 N 2.48 7.12 0.00 6.66 2.15 -1.26 -4.88 116.67 128.94 2rqe s ASP 22 Ca 0.66 1.35 0.02 0.00 0.43 0.00 0.00 52.55 55.02 2rqe s ASP 22 Cb -0.31 -2.48 0.03 0.00 -0.30 0.00 0.00 42.92 39.87 2rqe s ASP 22 CO 0.26 -0.22 0.68 -0.62 -0.17 0.00 0.00 175.17 175.10 2rqe n GLU 23 N 4.11 0.14 0.00 4.34 1.02 -1.26 -4.92 120.64 124.07 2rqe n GLU 23 Ca 0.02 -0.86 0.00 0.00 -0.02 0.00 0.00 57.16 56.30 2rqe n GLU 23 Cb 0.51 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 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 0.05 0.35 3.88 0.62 0.00 -1.26 -5.09 105.19 103.74 2rqe n GLY 24 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.37 3.55 0.00 1.61 0.08 -1.26 -3.68 117.98 117.91 2rqe s PHE 25 Ca 0.00 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.14 2rqe s PHE 25 Cb 0.00 -2.66 0.00 0.00 -0.57 0.00 0.00 43.02 39.79 2rqe s PHE 25 CO 0.00 -0.66 0.00 0.45 -0.10 0.00 0.00 175.22 174.91 2rqe n SER 26 N -2.65 1.19 -3.71 1.36 2.88 0.70 -4.92 113.62 108.48 2rqe n SER 26 Ca 0.05 -0.22 -0.13 0.00 -1.33 0.00 0.00 58.87 57.23 2rqe n SER 26 Cb 0.55 0.68 -0.09 0.00 -0.75 0.00 0.00 64.21 64.59 2rqe n SER 26 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2rqe s LEU 27 N -1.59 0.13 0.02 2.46 1.98 -1.22 -4.49 118.68 115.95 2rqe s LEU 27 Ca 0.00 0.98 0.03 0.00 -2.89 0.00 0.00 54.13 52.25 2rqe s LEU 27 Cb 0.00 1.69 -0.01 0.00 0.66 0.00 0.00 46.19 48.52 2rqe s LEU 27 CO 0.00 -0.18 -0.09 0.12 -1.89 0.00 0.00 176.35 174.31 2rqe s PHE 28 N 0.23 0.79 -0.06 5.38 2.19 1.00 -1.85 117.98 125.66 2rqe s PHE 28 Ca -0.00 -0.27 0.02 0.00 0.33 0.00 0.00 56.93 57.01 2rqe s PHE 28 Cb -0.03 -0.49 0.02 0.00 -1.31 0.00 0.00 43.02 41.20 2rqe s PHE 28 CO 0.01 -0.02 -0.10 0.00 1.83 0.00 0.00 175.22 176.94 2rqe s ALA 29 N -0.62 1.13 -0.20 11.12 0.00 0.12 0.17 121.76 133.49 2rqe s ALA 29 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 2rqe s ALA 29 Cb -0.06 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2rqe s ALA 29 CO 0.00 0.06 -0.11 -0.06 0.00 0.00 0.00 175.76 175.65 2rqe s PHE 30 N 0.78 2.88 -0.37 0.00 0.40 0.47 -2.32 117.98 119.80 2rqe s PHE 30 Ca -0.13 -1.20 0.04 0.00 -0.60 0.00 0.00 56.93 55.05 2rqe s PHE 30 Cb -0.15 -2.02 0.16 0.00 0.51 0.00 0.00 43.02 41.52 2rqe s PHE 30 CO 0.02 -0.63 0.45 -1.01 0.70 0.00 0.00 175.22 174.75 2rqe s HIS 31 N 1.34 -0.74 0.27 0.36 3.76 -1.25 -1.95 115.29 117.08 2rqe s HIS 31 Ca 0.04 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2rqe s HIS 31 Cb -0.14 -0.19 -0.00 0.00 1.11 0.00 0.00 32.58 33.36 2rqe s HIS 31 CO -0.06 -1.03 0.34 0.41 -0.85 0.00 0.00 174.74 173.54 2rqe n GLY 32 N 4.38 2.58 0.00 -2.22 0.00 -1.25 -3.90 105.19 104.78 2rqe n GLY 32 Ca 0.10 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.47 0.64 -4.36 1.61 5.02 -1.26 -1.34 118.16 118.00 2rqe n LYS 33 Ca 0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 2rqe n LYS 33 Cb 0.47 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.35 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 2.22 -0.76 -0.35 2.96 -1.26 -4.19 118.68 117.29 2rqe s LEU 34 Ca 0.00 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.26 2rqe s LEU 34 Cb 0.00 -0.72 0.10 0.00 0.50 0.00 0.00 46.19 46.07 2rqe s LEU 34 CO 0.00 0.04 0.24 0.59 -1.32 0.00 0.00 176.35 175.90 2rqe n ASN 35 N 1.59 -1.16 -3.64 3.68 5.03 -0.60 -4.81 115.26 115.35 2rqe n ASN 35 Ca -0.19 -0.29 -0.05 0.00 0.87 0.00 0.00 54.58 54.92 2rqe n ASN 35 Cb 0.54 -1.07 -0.07 0.00 -1.02 0.00 0.00 39.78 38.17 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 -5.11 0.58 0.07 3.52 2.56 -1.26 -5.08 118.70 113.98 2rqe s GLU 36 Ca 0.34 1.04 0.02 0.00 0.00 0.00 0.00 54.97 56.36 2rqe s GLU 36 Cb -0.20 0.17 -0.04 0.00 2.00 0.00 0.00 34.13 36.06 2rqe s GLU 36 CO 0.41 -0.13 0.15 -1.83 -0.56 0.00 0.00 175.26 173.30 2rqe s GLU 37 N 1.63 3.16 0.26 4.30 -1.05 -1.26 -4.36 118.70 121.39 2rqe s GLU 37 Ca -0.09 -0.57 0.04 0.00 -0.15 0.00 0.00 54.97 54.20 2rqe s GLU 37 Cb -0.05 -2.88 0.04 0.00 -0.44 0.00 0.00 34.13 30.80 2rqe s GLU 37 CO -0.18 0.58 0.33 0.00 0.95 0.00 0.00 175.26 176.94 2rqe n MET 38 N 0.34 0.89 -3.83 -4.83 0.00 -1.26 -5.12 117.12 103.31 2rqe n MET 38 Ca -0.07 -1.48 -0.12 0.00 0.00 0.00 0.00 57.70 56.03 2rqe n MET 38 Cb 0.51 -0.04 -0.10 0.00 0.00 0.00 0.00 33.22 33.59 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 -3.17 0.44 -1.13 3.17 2.12 -1.26 -4.89 118.70 113.98 2rqe s GLU 39 Ca 0.25 -0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.41 2rqe s GLU 39 Cb -0.02 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.57 2rqe s GLU 39 CO 0.16 -0.10 0.57 0.41 -0.54 0.00 0.00 175.26 175.76 2rqe n GLY 40 N 1.92 -0.20 3.09 -1.50 0.00 -1.26 -3.93 105.19 103.31 2rqe n GLY 40 Ca -0.19 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.29 -2.17 -4.58 0.99 4.77 -1.26 -4.98 117.00 106.48 2rqe n LEU 41 Ca -0.06 -0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.56 2rqe n LEU 41 Cb 0.58 -1.34 -0.10 0.00 -2.33 0.00 0.00 43.42 40.23 2rqe n LEU 41 CO 0.39 -0.12 -0.27 -1.83 -1.33 0.00 0.00 177.39 174.23 2rqe s GLU 42 N -1.94 1.89 -0.77 3.23 -1.05 -1.25 -5.08 118.70 113.73 2rqe s GLU 42 Ca 0.29 -2.09 -0.26 0.00 -0.15 0.00 0.00 54.97 52.76 2rqe s GLU 42 Cb -0.03 -1.30 0.03 0.00 -0.44 0.00 0.00 34.13 32.39 2rqe s GLU 42 CO 0.67 -0.17 1.34 0.00 0.95 0.00 0.00 175.26 178.05 2rqe s ALA 43 N -2.96 2.70 0.00 -0.84 0.00 -1.26 -4.92 121.76 114.49 2rqe s ALA 43 Ca 0.31 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2rqe s ALA 43 Cb 0.08 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 18.90 2rqe s ALA 43 CO 0.15 -3.38 0.00 0.41 0.00 0.00 0.00 175.76 172.94 2rqe n GLY 44 N 5.61 -2.57 0.27 0.00 0.00 -1.26 -4.93 105.19 102.30 2rqe n GLY 44 Ca 0.08 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.44 1.61 -0.00 -1.06 -4.97 115.22 108.35 2rqe n HIS 45 Ca 0.00 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.82 2rqe n HIS 45 Cb 0.00 -0.70 -0.03 0.00 -0.12 0.00 0.00 29.99 29.15 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 -2.54 3.04 -0.19 1.57 0.51 -0.45 -4.95 118.94 115.93 2rqe s TRP 46 Ca -0.30 1.59 -0.06 0.00 -2.12 0.00 0.00 56.10 55.21 2rqe s TRP 46 Cb 0.09 -3.19 0.09 0.00 -0.81 0.00 0.00 33.47 29.65 2rqe s TRP 46 CO 0.39 -0.99 0.39 -1.54 -0.51 0.00 0.00 176.95 174.69 2rqe s SER 47 N -1.64 -0.11 -0.11 2.95 1.04 -1.25 -3.76 113.70 110.83 2rqe s SER 47 Ca 0.63 0.86 -0.33 0.00 0.48 0.00 0.00 55.95 57.59 2rqe s SER 47 Cb -0.22 1.23 0.13 0.00 0.10 0.00 0.00 66.02 67.25 2rqe s SER 47 CO 0.27 -0.24 1.18 -0.60 0.98 0.00 0.00 173.24 174.83 2rqe s ARG 48 N 2.58 0.44 -0.08 4.02 3.00 -0.82 -5.02 118.95 123.07 2rqe s ARG 48 Ca 0.00 -0.19 -0.03 0.00 -1.00 0.00 0.00 55.73 54.51 2rqe s ARG 48 Cb -0.12 0.18 0.05 0.00 0.00 0.00 0.00 34.95 35.05 2rqe s ARG 48 CO -0.12 -0.19 0.14 0.16 0.00 0.00 0.00 175.30 175.29 2rqe s ASP 49 N -2.46 0.88 -0.46 -2.12 -4.77 -1.26 -0.40 116.67 106.08 2rqe s ASP 49 Ca 0.10 0.25 -0.25 0.00 -3.30 0.00 0.00 52.55 49.35 2rqe s ASP 49 Cb 0.00 0.20 0.03 0.00 -1.09 0.00 0.00 42.92 42.06 2rqe s ASP 49 CO -0.05 -0.25 0.88 -0.63 0.70 0.00 0.00 175.17 175.82 2rqe s ILE 50 N 2.27 4.53 -0.35 2.11 -1.09 0.45 -4.89 121.20 124.22 2rqe s ILE 50 Ca 0.04 0.64 0.04 0.00 -2.23 0.00 0.00 60.65 59.14 2rqe s ILE 50 Cb -0.12 -4.40 0.52 0.00 -1.58 0.00 0.00 42.46 36.88 2rqe s ILE 50 CO -0.06 -0.80 1.63 0.35 -1.23 0.00 0.00 174.94 174.83 2rqe n THR 51 N 6.33 2.52 0.00 2.92 -2.24 -1.26 -0.00 114.28 122.55 2rqe n THR 51 Ca 0.05 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.48 2rqe n THR 51 Cb 0.48 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2rqe n THR 51 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2rqe n LYS 52 N -0.48 0.00 -0.59 -0.78 4.81 -1.26 -4.91 118.16 114.95 2rqe n LYS 52 Ca 0.40 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.67 2rqe n LYS 52 Cb 1.29 0.00 0.14 0.00 0.02 0.00 0.00 35.03 36.48 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 -0.25 -2.24 -3.21 1.64 -0.04 -1.26 -4.93 135.00 124.71 2rqe n PRO 53 Ca 0.00 -0.99 -0.00 0.00 -0.04 0.00 0.00 63.50 62.47 2rqe n PRO 53 Cb 0.00 -0.93 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 2rqe n PRO 53 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2rqe s LYS 54 N -4.41 0.50 0.00 0.54 2.20 0.66 -4.89 119.74 114.34 2rqe s LYS 54 Ca 0.40 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 2rqe s LYS 54 Cb -0.04 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 2rqe s LYS 54 CO 0.31 -0.65 0.00 -1.71 -0.36 0.00 0.00 175.35 172.94 2rqe n ASN 55 N 5.41 -2.60 0.00 1.43 2.85 -1.26 -3.42 115.26 117.67 2rqe n ASN 55 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2rqe n ASN 55 Cb 0.51 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 41.09 2rqe n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rqe n GLY 56 N -2.87 2.52 3.21 8.20 0.00 -1.26 -5.05 105.19 109.94 2rqe n GLY 56 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.82 0.96 -0.86 1.61 3.00 -1.22 -4.09 118.95 117.53 2rqe s ARG 57 Ca 0.00 -1.40 -0.22 0.00 0.00 0.00 0.00 55.73 54.10 2rqe s ARG 57 Cb 0.00 -0.39 0.07 0.00 0.00 0.00 0.00 34.95 34.63 2rqe s ARG 57 CO 0.00 0.01 1.21 -1.58 0.00 0.00 0.00 175.30 174.94 2rqe s TRP 58 N -3.50 2.69 -0.02 -0.53 0.52 -0.96 -0.25 118.94 116.90 2rqe s TRP 58 Ca 0.15 -0.79 -0.07 0.00 0.02 0.00 0.00 56.10 55.41 2rqe s TRP 58 Cb 0.04 -4.47 -0.05 0.00 -1.15 0.00 0.00 33.47 27.85 2rqe s TRP 58 CO -0.02 -1.76 0.25 0.42 0.02 0.00 0.00 176.95 175.86 2rqe s ILE 59 N 4.23 5.32 0.04 2.03 1.01 -1.26 -2.02 121.20 130.55 2rqe s ILE 59 Ca 0.34 0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.24 2rqe s ILE 59 Cb -0.07 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 2rqe s ILE 59 CO -0.01 0.44 -0.05 0.12 0.00 0.00 0.00 174.94 175.45 2rqe s PHE 60 N -1.22 0.49 -0.07 3.97 5.36 -0.83 -4.91 117.98 120.77 2rqe s PHE 60 Ca 0.24 -0.69 -0.06 0.00 -0.96 0.00 0.00 56.93 55.46 2rqe s PHE 60 Cb -0.13 -0.33 0.02 0.00 -0.34 0.00 0.00 43.02 42.25 2rqe s PHE 60 CO 0.13 -0.20 0.18 1.03 -1.46 0.00 0.00 175.22 174.90 2rqe s ARG 61 N -2.34 0.19 0.43 10.12 3.00 -1.26 -1.57 118.95 127.51 2rqe s ARG 61 Ca -0.06 0.30 0.03 0.00 0.00 0.00 0.00 55.73 56.00 2rqe s ARG 61 Cb -0.04 0.04 0.03 0.00 0.00 0.00 0.00 34.95 34.98 2rqe s ARG 61 CO -0.03 -0.06 0.25 -3.47 0.00 0.00 0.00 175.30 171.99 2rqe n ASP 62 N 3.30 2.56 -0.05 0.23 2.03 0.88 -4.93 116.55 120.57 2rqe n ASP 62 Ca -0.16 -2.56 0.00 0.00 0.52 0.00 0.00 54.79 52.59 2rqe n ASP 62 Cb 0.57 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 2rqe n ASP 62 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2rqe n ARG 63 N -1.40 0.00 0.00 -0.67 1.85 -1.26 -3.48 116.66 111.70 2rqe n ARG 63 Ca -0.05 -0.45 0.00 0.00 -1.00 0.00 0.00 57.85 56.35 2rqe n ARG 63 Cb 0.50 -0.41 0.00 0.00 -1.05 0.00 0.00 32.46 31.50 2rqe n ARG 63 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2rqe n ASN 64 N 0.00 1.26 -4.36 2.89 0.23 -1.26 -4.31 115.26 109.72 2rqe n ASN 64 Ca 0.00 -1.63 -0.45 0.00 -0.53 0.00 0.00 54.58 51.97 2rqe n ASN 64 Cb 0.52 0.00 -0.05 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 -0.63 3.52 -0.85 -2.53 0.00 -1.26 -4.84 121.76 115.16 2rqe s ALA 65 Ca 0.00 -2.29 -0.13 0.00 0.00 0.00 0.00 51.96 49.54 2rqe s ALA 65 Cb 0.00 -3.37 0.22 0.00 0.00 0.00 0.00 23.12 19.98 2rqe s ALA 65 CO 0.00 -2.13 0.79 0.00 0.00 0.00 0.00 175.76 174.42 2rqe s ALA 66 N 2.16 4.14 0.26 0.00 0.00 -1.26 -1.22 121.76 125.84 2rqe s ALA 66 Ca 0.08 -3.40 0.01 0.00 0.00 0.00 0.00 51.96 48.65 2rqe s ALA 66 Cb -0.26 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2rqe s ALA 66 CO 0.06 -2.26 0.12 -0.48 0.00 0.00 0.00 175.76 173.20 2rqe s LEU 67 N -0.05 1.52 0.04 0.00 -0.00 -1.26 -4.97 118.68 113.96 2rqe s LEU 67 Ca 0.20 -1.43 -0.21 0.00 -0.00 0.00 0.00 54.13 52.68 2rqe s LEU 67 Cb -0.11 0.17 0.05 0.00 -0.00 0.00 0.00 46.19 46.30 2rqe s LEU 67 CO -0.09 -0.80 0.49 -1.59 -0.00 0.00 0.00 176.35 174.36 2rqe s LYS 68 N -4.01 0.99 -0.30 1.48 0.00 -1.26 -4.28 119.74 112.36 2rqe s LYS 68 Ca 0.38 -0.26 -0.28 0.00 0.00 0.00 0.00 55.97 55.81 2rqe s LYS 68 Cb 0.07 0.45 -0.12 0.00 0.00 0.00 0.00 37.83 38.23 2rqe s LYS 68 CO 0.14 -0.35 1.11 -0.89 0.00 0.00 0.00 175.35 175.36 2rqe n ILE 69 N 0.47 0.00 0.00 3.79 2.08 -1.26 -1.71 119.36 122.73 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 0.60 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 39.19 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 3.31 1.81 1.40 7.39 0.00 -1.24 -5.07 105.19 112.79 2rqe n GLY 70 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.73 -3.77 1.61 9.92 -0.69 -4.81 116.55 118.08 2rqe n ASP 71 Ca 0.00 -0.96 -0.10 0.00 -0.53 0.00 0.00 54.79 53.21 2rqe n ASP 71 Cb 0.00 -0.39 -0.06 0.00 -0.64 0.00 0.00 41.12 40.03 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 -4.03 0.92 0.04 -1.24 1.02 -1.26 -1.96 119.74 113.23 2rqe s LYS 72 Ca 0.28 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.46 2rqe s LYS 72 Cb -0.02 0.39 -0.02 0.00 -0.52 0.00 0.00 37.83 37.66 2rqe s LYS 72 CO 0.21 -0.32 -0.09 0.42 -0.92 0.00 0.00 175.35 174.64 2rqe s ILE 73 N -3.76 0.70 -0.25 2.17 1.01 0.18 -1.56 121.20 119.69 2rqe s ILE 73 Ca 0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 2rqe s ILE 73 Cb 0.03 -0.71 0.12 0.00 0.01 0.00 0.00 42.46 41.92 2rqe s ILE 73 CO -0.11 -0.24 0.30 -0.31 0.00 0.00 0.00 174.94 174.58 2rqe s TYR 74 N -1.12 -0.52 0.00 3.97 1.51 -1.26 0.08 117.35 120.01 2rqe s TYR 74 Ca -0.05 0.21 0.00 0.00 -1.01 0.00 0.00 57.07 56.22 2rqe s TYR 74 Cb -0.09 -0.30 0.00 0.00 -0.11 0.00 0.00 41.96 41.46 2rqe s TYR 74 CO 0.01 -0.78 0.00 1.97 -1.11 0.00 0.00 175.55 175.64 2rqe n PHE 75 N 5.33 0.00 -4.08 2.71 -1.74 -1.26 -4.25 117.46 114.17 2rqe n PHE 75 Ca -0.03 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.75 2rqe n PHE 75 Cb 0.48 0.00 -0.08 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 -2.71 0.71 0.02 2.97 1.48 -1.25 -3.14 118.94 117.02 2rqe s TRP 76 Ca 0.00 -1.02 0.00 0.00 -1.06 0.00 0.00 56.10 54.02 2rqe s TRP 76 Cb 0.00 -0.20 -0.02 0.00 -1.16 0.00 0.00 33.47 32.09 2rqe s TRP 76 CO 0.00 -0.76 -0.02 0.95 -4.06 0.00 0.00 176.95 173.06 2rqe s THR 77 N -4.06 0.09 -0.04 0.66 -4.23 -1.25 -3.83 115.64 102.98 2rqe s THR 77 Ca 0.28 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 2rqe s THR 77 Cb 0.04 -0.21 -0.03 0.00 1.34 0.00 0.00 72.50 73.64 2rqe s THR 77 CO 0.08 -0.38 -0.12 0.12 -0.54 0.00 0.00 174.62 173.78 2rqe s PHE 78 N -1.11 2.78 0.22 3.99 5.36 -0.98 -1.88 117.98 126.36 2rqe s PHE 78 Ca -0.12 -0.10 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 2rqe s PHE 78 Cb -0.08 -1.63 -0.04 0.00 -0.34 0.00 0.00 43.02 40.93 2rqe s PHE 78 CO -0.01 0.26 0.15 0.14 -1.46 0.00 0.00 175.22 174.30 2rqe s VAL 79 N -0.81 0.03 -0.32 3.12 -7.23 -0.12 0.14 120.40 115.21 2rqe s VAL 79 Ca 0.13 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 2rqe s VAL 79 Cb -0.11 -2.51 0.15 0.00 0.56 0.00 0.00 36.38 34.48 2rqe s VAL 79 CO 0.02 0.00 0.39 -0.63 -0.31 0.00 0.00 175.10 174.57 2rqe s ILE 80 N -4.05 -0.51 -0.09 -0.62 1.01 -0.77 -2.13 121.20 114.05 2rqe s ILE 80 Ca 0.39 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.51 2rqe s ILE 80 Cb 0.06 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 2rqe s ILE 80 CO 0.14 -0.40 -0.13 -0.75 0.00 0.00 0.00 174.94 173.80 2rqe s LYS 81 N 2.10 2.91 -1.06 2.79 2.20 -1.26 -0.21 119.74 127.20 2rqe s LYS 81 Ca 0.12 -0.67 -0.06 0.00 -0.36 0.00 0.00 55.97 55.01 2rqe s LYS 81 Cb -0.13 -2.52 0.05 0.00 -1.51 0.00 0.00 37.83 33.72 2rqe s LYS 81 CO -0.21 0.46 0.29 -3.47 -0.36 0.00 0.00 175.35 172.06 2rqe n ASP 82 N 2.80 -3.32 -2.54 1.43 -0.08 -1.24 0.32 116.55 113.92 2rqe n ASP 82 Ca -0.18 -0.13 -0.19 0.00 -1.51 0.00 0.00 54.79 52.78 2rqe n ASP 82 Cb 0.52 -2.80 -0.00 0.00 2.34 0.00 0.00 41.12 41.19 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 -0.97 -0.50 0.10 0.27 0.00 -1.26 -4.89 105.19 97.93 2rqe n GLY 83 Ca -0.05 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.15 1.89 -0.16 0.99 4.77 0.15 -5.12 117.00 116.37 2rqe n LEU 84 Ca -0.20 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2rqe n LEU 84 Cb 0.66 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2rqe n LEU 84 CO 0.30 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2rqe n GLY 85 N 1.47 0.20 3.35 -0.72 0.00 -1.25 -4.95 105.19 103.28 2rqe n GLY 85 Ca -0.22 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.62 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 1.62 -0.29 1.61 2.02 -0.90 -4.96 117.35 116.45 2rqe s TYR 86 Ca 0.00 -1.17 -0.23 0.00 -0.37 0.00 0.00 57.07 55.30 2rqe s TYR 86 Cb 0.00 -0.97 0.14 0.00 -0.40 0.00 0.00 41.96 40.74 2rqe s TYR 86 CO 0.00 -0.30 1.12 0.50 -1.57 0.00 0.00 175.55 175.30 2rqe s ARG 87 N -3.98 0.37 0.37 -0.62 3.52 -1.26 -0.95 118.95 116.40 2rqe s ARG 87 Ca 0.37 0.48 -0.13 0.00 -0.13 0.00 0.00 55.73 56.32 2rqe s ARG 87 Cb 0.08 0.16 -0.08 0.00 -1.56 0.00 0.00 34.95 33.55 2rqe s ARG 87 CO 0.14 -0.05 0.76 -1.14 -0.81 0.00 0.00 175.30 174.20 2rqe s GLN 88 N 0.42 3.90 0.00 5.12 2.00 -0.79 -4.62 119.66 125.70 2rqe s GLN 88 Ca 0.01 0.59 0.00 0.00 -2.00 0.00 0.00 55.36 53.97 2rqe s GLN 88 Cb -0.05 -2.40 0.00 0.00 0.80 0.00 0.00 33.01 31.36 2rqe s GLN 88 CO -0.10 0.06 0.00 -0.40 -0.50 0.00 0.00 175.29 174.35 2rqe n ASP 89 N -0.81 0.56 0.00 6.67 5.75 -1.26 -3.78 116.55 123.68 2rqe n ASP 89 Ca 0.03 -0.61 0.00 0.00 -0.01 0.00 0.00 54.79 54.20 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 -1.48 0.00 -3.39 -1.12 4.05 -1.26 -4.68 115.26 107.37 2rqe n ASN 90 Ca 0.00 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.70 2rqe n ASN 90 Cb 0.00 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.04 2rqe n ASN 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2rqe n GLY 91 N 0.00 -0.10 3.25 8.20 0.00 -1.19 -4.88 105.19 110.48 2rqe n GLY 91 Ca 0.00 1.13 0.04 0.00 0.00 0.00 0.00 46.02 47.19 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 -2.41 0.32 -0.18 1.61 2.12 -1.19 -4.30 118.70 114.67 2rqe s GLU 92 Ca 0.35 0.66 -0.07 0.00 0.36 0.00 0.00 54.97 56.26 2rqe s GLU 92 Cb -0.04 0.38 0.08 0.00 0.26 0.00 0.00 34.13 34.81 2rqe s GLU 92 CO 0.82 -0.27 0.39 -1.58 -0.54 0.00 0.00 175.26 174.09 2rqe s TRP 93 N 2.78 -0.70 -0.07 5.30 0.51 0.11 -4.96 118.94 121.92 2rqe s TRP 93 Ca 0.03 1.39 -0.16 0.00 -2.12 0.00 0.00 56.10 55.24 2rqe s TRP 93 Cb -0.10 0.24 -0.05 0.00 -0.81 0.00 0.00 33.47 32.75 2rqe s TRP 93 CO -0.16 -0.44 0.43 0.99 -0.51 0.00 0.00 176.95 177.26 2rqe s THR 94 N 2.39 5.12 0.01 2.01 2.01 -1.26 0.47 115.64 126.40 2rqe s THR 94 Ca -0.02 0.86 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 2rqe s THR 94 Cb -0.11 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 2rqe s THR 94 CO -0.12 0.45 1.78 -0.69 -0.69 0.00 0.00 174.62 175.35 2rqe s VAL 95 N -0.17 3.21 -0.12 3.82 1.01 -0.83 -4.85 120.40 122.47 2rqe s VAL 95 Ca 0.24 0.37 0.18 0.00 0.00 0.00 0.00 61.98 62.76 2rqe s VAL 95 Cb -0.16 -3.24 0.36 0.00 0.00 0.00 0.00 36.38 33.34 2rqe s VAL 95 CO 0.11 -0.02 1.17 -0.62 0.00 0.00 0.00 175.10 175.74 2rqe n GLU 96 N 6.92 0.65 -3.61 2.72 -0.58 -1.26 -3.64 120.64 121.84 2rqe n GLU 96 Ca 0.18 -2.07 -0.03 0.00 -0.42 0.00 0.00 57.16 54.82 2rqe n GLU 96 Cb 0.41 -0.25 -0.06 0.00 -0.57 0.00 0.00 31.44 30.98 2rqe n GLU 96 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2rqe s GLY 97 N -2.14 -0.50 0.41 0.62 0.00 -1.26 -5.04 107.32 99.41 2rqe s GLY 97 Ca 0.21 2.61 0.02 0.00 0.00 0.00 0.00 44.72 47.56 2rqe s GLY 97 CO -0.09 2.76 0.61 -1.36 0.00 0.00 0.00 173.10 175.01 2rqe s PHE 98 N 2.09 3.24 0.16 1.90 0.08 -1.26 0.25 117.98 124.44 2rqe s PHE 98 Ca -0.08 0.15 -0.24 0.00 0.12 0.00 0.00 56.93 56.88 2rqe s PHE 98 Cb -0.07 -2.17 0.06 0.00 -0.57 0.00 0.00 43.02 40.26 2rqe s PHE 98 CO -0.18 -0.20 0.85 0.14 -0.10 0.00 0.00 175.22 175.73 2rqe s VAL 99 N -2.43 0.00 -0.07 -0.44 -7.23 -1.11 -4.63 120.40 104.48 2rqe s VAL 99 Ca 0.46 -0.56 0.03 0.00 -1.81 0.00 0.00 61.98 60.10 2rqe s VAL 99 Cb -0.10 -1.72 0.01 0.00 0.56 0.00 0.00 36.38 35.13 2rqe s VAL 99 CO 0.36 0.00 -0.16 -1.81 -0.31 0.00 0.00 175.10 173.19 2rqe s ASP 100 N -2.84 2.13 -0.94 4.85 1.11 -1.26 -3.94 116.67 115.78 2rqe s ASP 100 Ca 0.10 -0.37 -0.07 0.00 0.18 0.00 0.00 52.55 52.38 2rqe s ASP 100 Cb -0.02 -0.96 -0.12 0.00 1.07 0.00 0.00 42.92 42.89 2rqe s ASP 100 CO -0.00 0.07 2.74 1.21 1.18 0.00 0.00 175.17 180.37 2rqe n GLU 101 N 3.70 2.63 0.00 8.23 2.13 -1.26 -5.06 120.64 131.01 2rqe n GLU 101 Ca -0.22 -1.58 0.00 0.00 0.66 0.00 0.00 57.16 56.03 2rqe n GLU 101 Cb 0.52 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.79 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72