#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 0.93 0.54 2.98 2.02 -1.26 -5.05 118.70 118.86 2rqe s GLU 2 Ca 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.28 2rqe s GLU 2 Cb 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.18 2rqe s GLU 2 CO 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 175.26 174.02 2rqe n ALA 3 N 3.70 -1.94 -1.25 5.21 0.00 -1.25 -4.02 120.51 120.96 2rqe n ALA 3 Ca 0.15 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.74 2rqe n ALA 3 Cb 0.56 -1.42 0.10 0.00 0.00 0.00 0.00 19.45 18.69 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 -4.15 2.05 0.21 0.00 0.04 -1.26 -4.79 135.00 127.10 2rqe s PRO 4 Ca 0.00 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 2rqe s PRO 4 Cb 0.00 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 2rqe s PRO 4 CO 0.00 -1.77 1.30 -1.25 0.04 0.00 0.00 177.00 175.32 2rqe s PRO 5 N -4.91 4.40 0.05 0.56 0.04 -1.26 -4.91 135.00 128.97 2rqe s PRO 5 Ca 0.62 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.52 2rqe s PRO 5 Cb -0.17 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.11 2rqe s PRO 5 CO 0.56 -0.23 0.52 0.00 0.04 0.00 0.00 177.00 177.89 2rqe s ALA 6 N 0.01 3.62 -1.19 8.56 0.00 -1.26 -4.58 121.76 126.92 2rqe s ALA 6 Ca 0.56 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 2rqe s ALA 6 Cb -0.36 -2.56 0.21 0.00 0.00 0.00 0.00 23.12 20.41 2rqe s ALA 6 CO 0.39 0.41 1.44 2.41 0.00 0.00 0.00 175.76 180.41 2rqe n THR 7 N 1.81 4.46 -2.49 0.00 -1.04 0.12 -4.97 114.28 112.17 2rqe n THR 7 Ca -0.11 -4.95 -0.42 0.00 -2.04 0.00 0.00 64.05 56.52 2rqe n THR 7 Cb 0.51 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.56 2rqe n THR 7 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2rqe s LEU 8 N 0.13 3.50 0.00 -4.42 1.02 -1.26 -3.01 118.68 114.64 2rqe s LEU 8 Ca 0.38 0.36 0.00 0.00 0.02 0.00 0.00 54.13 54.89 2rqe s LEU 8 Cb -0.02 -3.29 0.00 0.00 0.02 0.00 0.00 46.19 42.91 2rqe s LEU 8 CO -0.01 -1.49 0.00 -0.62 0.02 0.00 0.00 176.35 174.25 2rqe n GLU 9 N 8.31 1.82 -3.29 1.70 -0.58 -0.08 -4.76 120.64 123.76 2rqe n GLU 9 Ca 0.12 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.62 2rqe n GLU 9 Cb 0.49 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.28 2rqe n GLU 9 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rqe s ALA 10 N -3.93 0.84 1.06 0.62 0.00 -1.25 -4.67 121.76 114.43 2rqe s ALA 10 Ca 0.00 -2.12 -0.15 0.00 0.00 0.00 0.00 51.96 49.69 2rqe s ALA 10 Cb 0.00 -1.77 0.22 0.00 0.00 0.00 0.00 23.12 21.57 2rqe s ALA 10 CO 0.00 -2.01 1.11 0.42 0.00 0.00 0.00 175.76 175.28 2rqe s ILE 11 N 0.21 1.88 1.16 0.00 -1.09 -1.26 -2.60 121.20 119.49 2rqe s ILE 11 Ca 0.32 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.57 2rqe s ILE 11 Cb 0.03 -2.53 0.18 0.00 -1.58 0.00 0.00 42.46 38.56 2rqe s ILE 11 CO -0.17 0.00 0.33 1.41 -1.23 0.00 0.00 174.94 175.28 2rqe n HIS 12 N -4.32 -1.76 0.49 3.97 8.25 -1.25 -4.68 115.22 115.91 2rqe n HIS 12 Ca 0.08 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2rqe n HIS 12 Cb 0.58 -1.54 0.00 0.00 1.12 0.00 0.00 29.99 30.15 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 -3.03 0.49 -0.26 -0.41 -0.04 -1.26 -2.28 135.00 128.20 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 -1.25 0.10 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.31 0.86 -3.33 0.54 2.85 -1.25 -4.17 118.16 113.96 2rqe n LYS 14 Ca 0.00 -2.10 0.00 0.00 -1.05 0.00 0.00 58.31 55.16 2rqe n LYS 14 Cb 0.13 -1.15 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 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 -0.92 -1.88 3.38 2.58 0.00 -0.69 -4.09 105.19 103.57 2rqe n GLY 15 Ca 0.11 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 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 0.64 -0.03 0.99 2.96 -1.23 -4.10 118.68 117.90 2rqe s LEU 16 Ca 0.00 -0.63 0.05 0.00 -0.22 0.00 0.00 54.13 53.33 2rqe s LEU 16 Cb 0.00 1.59 -0.01 0.00 0.50 0.00 0.00 46.19 48.27 2rqe s LEU 16 CO 0.00 -0.92 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.34 2rqe s ARG 17 N -3.90 1.56 -0.28 1.98 3.52 -1.26 -0.15 118.95 120.42 2rqe s ARG 17 Ca 0.11 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 55.11 2rqe s ARG 17 Cb 0.02 -1.42 0.14 0.00 -1.56 0.00 0.00 34.95 32.13 2rqe s ARG 17 CO -0.04 0.29 0.32 0.08 -0.81 0.00 0.00 175.30 175.13 2rqe s VAL 18 N -0.14 -0.46 0.22 7.11 1.01 -0.66 -0.90 120.40 126.59 2rqe s VAL 18 Ca 0.01 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 61.71 2rqe s VAL 18 Cb -0.09 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2rqe s VAL 18 CO 0.01 -0.38 -0.07 -0.55 0.00 0.00 0.00 175.10 174.11 2rqe s SER 19 N 2.41 4.29 0.02 3.32 0.15 -1.16 -2.24 113.70 120.48 2rqe s SER 19 Ca 0.09 -0.65 -0.01 0.00 0.70 0.00 0.00 55.95 56.08 2rqe s SER 19 Cb -0.14 -0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 63.43 2rqe s SER 19 CO -0.29 0.06 -0.00 0.68 1.20 0.00 0.00 173.24 174.89 2rqe s VAL 20 N -2.02 0.12 -0.02 4.45 -7.23 -0.82 0.16 120.40 115.04 2rqe s VAL 20 Ca 0.28 -1.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.14 2rqe s VAL 20 Cb -0.07 -0.47 -0.05 0.00 0.56 0.00 0.00 36.38 36.34 2rqe s VAL 20 CO 0.17 -0.55 1.47 -2.16 -0.31 0.00 0.00 175.10 173.71 2rqe s PRO 21 N -1.82 4.24 0.08 4.82 0.04 -1.26 -2.19 135.00 138.91 2rqe s PRO 21 Ca -0.12 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 2rqe s PRO 21 Cb -0.07 -3.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.73 2rqe s PRO 21 CO -0.02 -0.67 0.97 0.34 0.04 0.00 0.00 177.00 177.66 2rqe s ASP 22 N 2.28 7.46 -0.03 6.66 2.15 -1.26 -4.91 116.67 129.02 2rqe s ASP 22 Ca 0.66 1.76 0.04 0.00 0.43 0.00 0.00 52.55 55.44 2rqe s ASP 22 Cb -0.32 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 39.79 2rqe s ASP 22 CO 0.26 -0.12 0.97 -0.62 -0.17 0.00 0.00 175.17 175.49 2rqe n GLU 23 N 3.08 2.02 0.00 4.34 -0.58 -1.26 -4.93 120.64 123.32 2rqe n GLU 23 Ca 0.03 -1.58 0.00 0.00 -0.42 0.00 0.00 57.16 55.19 2rqe n GLU 23 Cb 0.50 -1.02 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 2rqe n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rqe n GLY 24 N -0.62 0.95 3.43 0.62 0.00 -1.26 -5.01 105.19 103.29 2rqe n GLY 24 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2rqe n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2rqe n PHE 25 N 0.00 -1.05 -0.12 1.61 3.72 -1.26 -4.22 117.46 116.14 2rqe n PHE 25 Ca 0.00 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2rqe n PHE 25 Cb 0.00 -1.76 0.00 0.00 -0.94 0.00 0.00 39.48 36.78 2rqe n PHE 25 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2rqe n SER 26 N -2.23 0.12 -3.63 4.37 2.88 0.18 -4.90 113.62 110.41 2rqe n SER 26 Ca 0.06 -0.42 -0.15 0.00 -1.33 0.00 0.00 58.87 57.02 2rqe n SER 26 Cb 0.55 0.38 -0.07 0.00 -0.75 0.00 0.00 64.21 64.32 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 -0.77 -0.34 0.01 2.46 1.98 -1.22 -4.49 118.68 116.31 2rqe s LEU 27 Ca 0.00 0.99 0.00 0.00 -2.89 0.00 0.00 54.13 52.24 2rqe s LEU 27 Cb 0.00 2.16 -0.01 0.00 0.66 0.00 0.00 46.19 49.01 2rqe s LEU 27 CO 0.00 -0.35 -0.02 0.12 -1.89 0.00 0.00 176.35 174.22 2rqe s PHE 28 N -0.25 0.14 -0.06 5.38 2.19 0.42 -1.91 117.98 123.88 2rqe s PHE 28 Ca -0.04 -0.20 -0.01 0.00 0.33 0.00 0.00 56.93 57.01 2rqe s PHE 28 Cb -0.03 -0.10 0.03 0.00 -1.31 0.00 0.00 43.02 41.61 2rqe s PHE 28 CO 0.04 -0.07 -0.02 0.00 1.83 0.00 0.00 175.22 177.01 2rqe s ALA 29 N -0.54 0.72 -0.29 11.12 0.00 0.87 0.86 121.76 134.50 2rqe s ALA 29 Ca -0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 2rqe s ALA 29 Cb -0.04 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.45 2rqe s ALA 29 CO -0.00 -0.32 0.06 -0.06 0.00 0.00 0.00 175.76 175.44 2rqe s PHE 30 N 1.63 3.15 -0.32 0.00 0.40 0.92 -1.96 117.98 121.80 2rqe s PHE 30 Ca -0.00 -1.17 -0.01 0.00 -0.60 0.00 0.00 56.93 55.15 2rqe s PHE 30 Cb -0.13 -2.22 0.13 0.00 0.51 0.00 0.00 43.02 41.31 2rqe s PHE 30 CO -0.04 -0.63 0.22 -1.01 0.70 0.00 0.00 175.22 174.46 2rqe s HIS 31 N 1.45 0.24 0.31 0.36 3.76 -1.25 -1.48 115.29 118.67 2rqe s HIS 31 Ca 0.01 -1.01 0.01 0.00 -0.15 0.00 0.00 55.06 53.92 2rqe s HIS 31 Cb -0.18 -0.76 -0.00 0.00 1.11 0.00 0.00 32.58 32.75 2rqe s HIS 31 CO 0.01 -0.86 0.39 0.41 -0.85 0.00 0.00 174.74 173.83 2rqe n GLY 32 N 4.71 2.44 0.00 -2.22 0.00 -1.26 -3.97 105.19 104.89 2rqe n GLY 32 Ca 0.03 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.53 0.70 -4.14 1.61 5.02 -1.26 -1.66 118.16 117.91 2rqe n LYS 33 Ca 0.02 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.16 2rqe n LYS 33 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.41 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 2.18 -0.26 -0.35 2.96 -1.26 -4.24 118.68 117.71 2rqe s LEU 34 Ca 0.00 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 2rqe s LEU 34 Cb 0.00 -0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.42 2rqe s LEU 34 CO 0.00 -0.09 0.00 0.59 -1.32 0.00 0.00 176.35 175.53 2rqe n ASN 35 N 1.91 -1.47 -3.64 3.68 5.03 -1.04 -4.83 115.26 114.89 2rqe n ASN 35 Ca -0.19 0.35 -0.07 0.00 0.87 0.00 0.00 54.58 55.53 2rqe n ASN 35 Cb 0.56 -1.44 -0.07 0.00 -1.02 0.00 0.00 39.78 37.80 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 -4.39 0.69 0.00 3.52 2.56 -1.26 -5.10 118.70 114.73 2rqe s GLU 36 Ca 0.00 1.19 -0.07 0.00 0.00 0.00 0.00 54.97 56.09 2rqe s GLU 36 Cb 0.00 0.14 -0.05 0.00 2.00 0.00 0.00 34.13 36.22 2rqe s GLU 36 CO 0.00 -0.15 0.28 -1.83 -0.56 0.00 0.00 175.26 173.00 2rqe s GLU 37 N 1.58 3.60 0.35 4.30 -1.05 -1.26 -4.54 118.70 121.68 2rqe s GLU 37 Ca -0.10 -0.04 0.01 0.00 -0.15 0.00 0.00 54.97 54.70 2rqe s GLU 37 Cb -0.05 -3.09 0.07 0.00 -0.44 0.00 0.00 34.13 30.62 2rqe s GLU 37 CO -0.19 0.65 0.48 0.00 0.95 0.00 0.00 175.26 177.16 2rqe n MET 38 N 1.19 0.38 -3.60 -4.83 0.00 -1.26 -5.08 117.12 103.92 2rqe n MET 38 Ca -0.12 -1.42 -0.37 0.00 0.00 0.00 0.00 57.70 55.80 2rqe n MET 38 Cb 0.53 -0.28 -0.08 0.00 0.00 0.00 0.00 33.22 33.38 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 -3.65 4.14 0.57 3.17 2.12 -1.26 -4.90 118.70 118.89 2rqe s GLU 39 Ca 0.33 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.54 2rqe s GLU 39 Cb -0.02 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.87 2rqe s GLU 39 CO 0.22 0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 2rqe n GLY 40 N 3.95 0.43 3.00 -1.50 0.00 -1.26 -3.15 105.19 106.66 2rqe n GLY 40 Ca -0.13 0.27 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 2rqe n GLY 40 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2rqe s LEU 41 N 0.00 -0.89 0.00 0.99 0.05 -1.26 -5.02 118.68 112.55 2rqe s LEU 41 Ca 0.00 -1.17 0.02 0.00 0.05 0.00 0.00 54.13 53.03 2rqe s LEU 41 Cb 0.00 1.36 -0.01 0.00 -2.05 0.00 0.00 46.19 45.49 2rqe s LEU 41 CO 0.00 -0.20 0.09 -1.84 -0.55 0.00 0.00 176.35 173.84 2rqe n GLU 42 N 4.28 0.74 -2.78 1.48 0.28 -1.19 -5.09 120.64 118.36 2rqe n GLU 42 Ca 0.12 -2.08 -0.42 0.00 -0.16 0.00 0.00 57.16 54.61 2rqe n GLU 42 Cb 0.52 1.12 -0.04 0.00 1.43 0.00 0.00 31.44 34.47 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 -2.66 3.02 0.00 -1.84 0.00 -1.26 -4.89 121.76 114.13 2rqe s ALA 43 Ca 0.12 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2rqe s ALA 43 Cb 0.01 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2rqe s ALA 43 CO 0.09 -2.88 0.00 0.41 0.00 0.00 0.00 175.76 173.38 2rqe n GLY 44 N 5.32 -2.80 0.20 0.00 0.00 -1.26 -4.97 105.19 101.68 2rqe n GLY 44 Ca -0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.56 1.61 -0.00 -1.05 -4.95 115.22 110.26 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 -0.40 0.23 0.00 -0.12 0.00 0.00 29.99 29.70 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 -2.63 1.39 -0.30 1.57 0.51 -0.67 -4.93 118.94 113.88 2rqe s TRP 46 Ca -0.23 1.42 -0.13 0.00 -2.12 0.00 0.00 56.10 55.04 2rqe s TRP 46 Cb 0.03 -3.18 0.14 0.00 -0.81 0.00 0.00 33.47 29.65 2rqe s TRP 46 CO 0.34 -3.57 0.80 0.45 -0.51 0.00 0.00 176.95 174.47 2rqe s SER 47 N -2.51 -0.86 -0.16 2.95 0.15 -1.21 -4.20 113.70 107.85 2rqe s SER 47 Ca 0.68 1.22 -0.28 0.00 0.70 0.00 0.00 55.95 58.28 2rqe s SER 47 Cb -0.25 1.85 0.07 0.00 -1.71 0.00 0.00 66.02 65.99 2rqe s SER 47 CO 0.63 -0.18 0.69 -0.60 1.20 0.00 0.00 173.24 174.98 2rqe s ARG 48 N 2.42 0.94 -0.52 5.44 6.06 -0.55 -4.97 118.95 127.77 2rqe s ARG 48 Ca -0.06 0.61 0.04 0.00 -2.50 0.00 0.00 55.73 53.82 2rqe s ARG 48 Cb -0.08 0.45 0.16 0.00 0.06 0.00 0.00 34.95 35.54 2rqe s ARG 48 CO -0.18 -0.21 0.37 -0.51 -2.50 0.00 0.00 175.30 172.27 2rqe s ASP 49 N -0.41 3.13 -0.36 -2.12 1.11 -1.26 -0.06 116.67 116.71 2rqe s ASP 49 Ca -0.06 -3.23 -0.29 0.00 0.18 0.00 0.00 52.55 49.15 2rqe s ASP 49 Cb -0.03 -0.98 -0.00 0.00 1.07 0.00 0.00 42.92 42.98 2rqe s ASP 49 CO 0.05 -0.16 1.57 -0.63 1.18 0.00 0.00 175.17 177.18 2rqe s ILE 50 N -0.39 3.74 -0.47 0.77 -1.09 0.25 -4.80 121.20 119.20 2rqe s ILE 50 Ca 0.26 0.76 0.03 0.00 -2.23 0.00 0.00 60.65 59.48 2rqe s ILE 50 Cb -0.06 -3.95 0.55 0.00 -1.58 0.00 0.00 42.46 37.42 2rqe s ILE 50 CO -0.14 -0.57 1.79 0.35 -1.23 0.00 0.00 174.94 175.14 2rqe n THR 51 N 7.10 3.14 0.00 2.92 -2.24 -1.26 0.16 114.28 124.10 2rqe n THR 51 Ca 0.19 -2.64 0.00 0.00 -2.27 0.00 0.00 64.05 59.33 2rqe n THR 51 Cb 0.47 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.03 0.00 -0.62 -0.78 4.81 -1.26 -4.83 118.16 114.44 2rqe n LYS 52 Ca 0.54 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.80 2rqe n LYS 52 Cb 1.16 0.00 0.15 0.00 0.02 0.00 0.00 35.03 36.36 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 -0.64 -2.30 0.00 1.64 -0.04 -1.26 -4.97 135.00 127.43 2rqe n PRO 53 Ca 0.00 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 2rqe n PRO 53 Cb 0.00 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.51 0.59 -2.75 0.54 2.85 -1.16 -4.92 118.16 109.81 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 0.35 -0.64 0.02 0.00 -0.65 0.00 0.00 35.03 34.11 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 -1.35 1.36 0.00 -5.58 3.02 -1.26 -4.94 115.26 106.52 2rqe n ASN 55 Ca 0.00 -2.77 0.00 0.00 -0.03 0.00 0.00 54.58 51.78 2rqe n ASN 55 Cb 0.14 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 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 2.74 3.47 7.41 0.00 -1.26 -4.95 105.19 112.59 2rqe n GLY 56 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 1.68 -0.88 1.61 3.00 -1.26 -4.27 118.95 118.77 2rqe s ARG 57 Ca 0.00 -1.93 -0.18 0.00 0.00 0.00 0.00 55.73 53.63 2rqe s ARG 57 Cb 0.00 -1.02 0.15 0.00 0.00 0.00 0.00 34.95 34.08 2rqe s ARG 57 CO 0.00 -0.14 1.02 -1.58 0.00 0.00 0.00 175.30 174.60 2rqe s TRP 58 N -3.17 3.25 -0.07 -0.53 0.52 -0.93 -2.98 118.94 115.03 2rqe s TRP 58 Ca 0.35 -1.48 -0.12 0.00 0.02 0.00 0.00 56.10 54.87 2rqe s TRP 58 Cb 0.08 -4.17 -0.05 0.00 -1.15 0.00 0.00 33.47 28.19 2rqe s TRP 58 CO 0.15 -1.37 0.29 0.42 0.02 0.00 0.00 176.95 176.47 2rqe s ILE 59 N 2.15 5.25 0.09 2.03 1.01 -1.26 -1.94 121.20 128.53 2rqe s ILE 59 Ca 0.28 0.57 0.05 0.00 0.00 0.00 0.00 60.65 61.55 2rqe s ILE 59 Cb -0.07 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2rqe s ILE 59 CO -0.08 0.56 -0.14 0.12 0.00 0.00 0.00 174.94 175.40 2rqe s PHE 60 N -0.78 1.28 -0.04 3.97 2.19 -0.95 -4.94 117.98 118.70 2rqe s PHE 60 Ca 0.19 -0.51 -0.02 0.00 0.33 0.00 0.00 56.93 56.92 2rqe s PHE 60 Cb -0.14 -0.70 0.02 0.00 -1.31 0.00 0.00 43.02 40.89 2rqe s PHE 60 CO 0.08 0.08 0.09 1.03 1.83 0.00 0.00 175.22 178.34 2rqe s ARG 61 N -2.14 0.07 0.54 10.12 3.00 -1.26 -1.66 118.95 127.62 2rqe s ARG 61 Ca 0.02 0.20 0.05 0.00 0.00 0.00 0.00 55.73 56.01 2rqe s ARG 61 Cb -0.08 -0.07 0.05 0.00 0.00 0.00 0.00 34.95 34.86 2rqe s ARG 61 CO 0.02 -0.08 0.45 -3.47 0.00 0.00 0.00 175.30 172.22 2rqe n ASP 62 N 3.57 2.62 -0.08 0.23 -0.08 0.79 -4.93 116.55 118.66 2rqe n ASP 62 Ca -0.19 -2.79 0.00 0.00 -1.51 0.00 0.00 54.79 50.30 2rqe n ASP 62 Cb 0.56 -0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.93 2rqe n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2rqe n ARG 63 N -1.81 0.00 -0.06 -0.67 1.74 -1.26 -3.54 116.66 111.05 2rqe n ARG 63 Ca 0.00 -0.43 0.01 0.00 -0.77 0.00 0.00 57.85 56.67 2rqe n ARG 63 Cb 0.60 -0.37 0.02 0.00 -1.02 0.00 0.00 32.46 31.69 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 1.06 -4.34 0.55 0.23 -1.26 -4.37 115.26 107.13 2rqe n ASN 64 Ca 0.00 -1.75 -0.46 0.00 -0.53 0.00 0.00 54.58 51.84 2rqe n ASN 64 Cb 0.52 -0.07 -0.03 0.00 -2.08 0.00 0.00 39.78 38.12 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 -0.73 3.78 -1.18 -2.53 0.00 -1.26 -4.85 121.76 114.99 2rqe s ALA 65 Ca 0.04 -2.85 -0.09 0.00 0.00 0.00 0.00 51.96 49.05 2rqe s ALA 65 Cb 0.03 -3.48 0.23 0.00 0.00 0.00 0.00 23.12 19.90 2rqe s ALA 65 CO 0.00 -2.26 1.48 0.00 0.00 0.00 0.00 175.76 174.98 2rqe n ALA 66 N 4.96 4.63 -2.56 0.00 0.00 -1.26 -1.71 120.51 124.58 2rqe n ALA 66 Ca 0.02 -4.49 -0.26 0.00 0.00 0.00 0.00 53.44 48.71 2rqe n ALA 66 Cb 0.44 -2.74 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 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 -0.51 2.49 0.09 0.00 -0.00 -1.26 -4.94 118.68 114.54 2rqe s LEU 67 Ca 0.37 -1.42 -0.23 0.00 -0.00 0.00 0.00 54.13 52.84 2rqe s LEU 67 Cb 0.00 -0.63 0.06 0.00 -0.00 0.00 0.00 46.19 45.62 2rqe s LEU 67 CO 0.01 -0.58 0.57 -1.59 -0.00 0.00 0.00 176.35 174.75 2rqe s LYS 68 N -3.80 1.14 -0.22 1.48 0.00 -1.26 -4.24 119.74 112.85 2rqe s LYS 68 Ca 0.32 -0.30 -0.24 0.00 0.00 0.00 0.00 55.97 55.75 2rqe s LYS 68 Cb 0.08 0.53 -0.10 0.00 0.00 0.00 0.00 37.83 38.33 2rqe s LYS 68 CO 0.15 -0.45 0.78 -0.89 0.00 0.00 0.00 175.35 174.95 2rqe n ILE 69 N 0.10 0.00 0.00 3.79 2.08 -1.26 -1.57 119.36 122.50 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 0.62 -0.22 0.00 0.00 -0.75 0.00 0.00 39.64 39.30 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 1.85 0.59 3.17 7.39 0.00 -1.11 -5.04 105.19 112.04 2rqe n GLY 70 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2rqe n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rqe n ASP 71 N 0.00 -2.73 -3.89 1.61 8.00 -0.61 -4.72 116.55 114.21 2rqe n ASP 71 Ca 0.00 -1.02 -0.10 0.00 0.71 0.00 0.00 54.79 54.38 2rqe n ASP 71 Cb 0.00 -0.94 -0.09 0.00 -0.02 0.00 0.00 41.12 40.07 2rqe n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2rqe s LYS 72 N -5.19 0.60 0.00 -1.24 1.02 -1.26 -1.33 119.74 112.34 2rqe s LYS 72 Ca 0.65 -0.64 0.05 0.00 0.02 0.00 0.00 55.97 56.05 2rqe s LYS 72 Cb -0.08 0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 37.46 2rqe s LYS 72 CO 0.52 -0.16 -0.15 0.42 -0.92 0.00 0.00 175.35 175.06 2rqe s ILE 73 N -2.32 1.21 -0.30 2.17 1.01 0.94 -2.50 121.20 121.41 2rqe s ILE 73 Ca -0.07 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 2rqe s ILE 73 Cb -0.03 -1.02 0.11 0.00 0.01 0.00 0.00 42.46 41.53 2rqe s ILE 73 CO -0.03 0.27 0.16 -0.31 0.00 0.00 0.00 174.94 175.03 2rqe s TYR 74 N -0.46 0.25 0.00 3.97 1.51 -1.26 0.84 117.35 122.20 2rqe s TYR 74 Ca 0.05 -0.85 0.00 0.00 -1.01 0.00 0.00 57.07 55.26 2rqe s TYR 74 Cb -0.06 -0.84 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 2rqe s TYR 74 CO -0.00 -0.84 0.00 1.97 -1.11 0.00 0.00 175.55 175.57 2rqe n PHE 75 N 5.15 -0.01 -4.08 2.71 -1.74 -1.26 -4.26 117.46 113.97 2rqe n PHE 75 Ca -0.04 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.71 2rqe n PHE 75 Cb 0.42 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.38 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 -3.02 1.01 0.03 2.97 1.48 -1.25 -3.18 118.94 116.97 2rqe s TRP 76 Ca 0.00 -1.25 -0.06 0.00 -1.06 0.00 0.00 56.10 53.72 2rqe s TRP 76 Cb 0.00 -0.06 -0.01 0.00 -1.16 0.00 0.00 33.47 32.24 2rqe s TRP 76 CO 0.00 -1.12 0.12 0.95 -4.06 0.00 0.00 176.95 172.84 2rqe s THR 77 N -3.13 0.12 -0.06 0.66 -4.23 -1.25 -3.82 115.64 103.94 2rqe s THR 77 Ca 0.30 -0.98 0.05 0.00 -1.18 0.00 0.00 61.69 59.88 2rqe s THR 77 Cb -0.00 -0.81 -0.02 0.00 1.34 0.00 0.00 72.50 73.01 2rqe s THR 77 CO 0.19 -0.54 -0.22 0.12 -0.54 0.00 0.00 174.62 173.63 2rqe s PHE 78 N -2.38 2.51 0.20 3.99 5.36 -0.83 -1.89 117.98 124.94 2rqe s PHE 78 Ca -0.07 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.35 2rqe s PHE 78 Cb -0.02 -1.61 -0.05 0.00 -0.34 0.00 0.00 43.02 41.00 2rqe s PHE 78 CO -0.03 -0.11 0.07 0.14 -1.46 0.00 0.00 175.22 173.83 2rqe s VAL 79 N -0.29 0.39 -0.32 3.12 -7.23 -0.32 -0.09 120.40 115.65 2rqe s VAL 79 Ca 0.01 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2rqe s VAL 79 Cb -0.13 -2.35 0.14 0.00 0.56 0.00 0.00 36.38 34.60 2rqe s VAL 79 CO 0.03 -0.22 0.29 -0.63 -0.31 0.00 0.00 175.10 174.26 2rqe s ILE 80 N -3.87 -0.30 -0.03 -0.62 1.01 -0.80 -1.75 121.20 114.84 2rqe s ILE 80 Ca 0.32 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 60.23 2rqe s ILE 80 Cb 0.07 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 2rqe s ILE 80 CO 0.08 -0.58 -0.14 -0.75 0.00 0.00 0.00 174.94 173.55 2rqe s LYS 81 N 1.94 2.42 -1.53 2.79 2.20 -1.26 0.50 119.74 126.80 2rqe s LYS 81 Ca 0.12 -0.76 -0.17 0.00 -0.36 0.00 0.00 55.97 54.81 2rqe s LYS 81 Cb -0.15 -2.35 0.15 0.00 -1.51 0.00 0.00 37.83 33.97 2rqe s LYS 81 CO -0.22 0.60 0.61 -0.25 -0.36 0.00 0.00 175.35 175.74 2rqe n ASP 82 N 2.08 -2.82 -3.25 1.43 9.92 -1.26 0.57 116.55 123.21 2rqe n ASP 82 Ca -0.17 -0.82 -0.23 0.00 -0.53 0.00 0.00 54.79 53.05 2rqe n ASP 82 Cb 0.52 -2.36 0.01 0.00 -0.64 0.00 0.00 41.12 38.65 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 -1.18 -0.50 0.02 0.44 0.00 -1.26 -4.88 105.19 97.84 2rqe n GLY 83 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.81 0.00 0.00 0.99 4.77 0.19 -5.13 117.00 114.01 2rqe n LEU 84 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2rqe n LEU 84 Cb 0.57 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2rqe n LEU 84 CO 0.50 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 2rqe n GLY 85 N 1.67 1.97 3.64 -0.72 0.00 -1.25 -4.93 105.19 105.57 2rqe n GLY 85 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 2.34 -0.29 1.61 1.51 -0.72 -4.97 117.35 116.83 2rqe s TYR 86 Ca 0.00 -0.75 -0.24 0.00 -1.01 0.00 0.00 57.07 55.07 2rqe s TYR 86 Cb 0.00 -1.71 0.17 0.00 -0.11 0.00 0.00 41.96 40.31 2rqe s TYR 86 CO 0.00 0.37 1.26 0.50 -1.11 0.00 0.00 175.55 176.57 2rqe s ARG 87 N -3.75 0.23 0.39 -0.62 3.52 -1.26 -1.17 118.95 116.28 2rqe s ARG 87 Ca 0.29 0.29 -0.12 0.00 -0.13 0.00 0.00 55.73 56.06 2rqe s ARG 87 Cb 0.08 0.10 -0.07 0.00 -1.56 0.00 0.00 34.95 33.50 2rqe s ARG 87 CO 0.15 -0.03 0.77 -1.14 -0.81 0.00 0.00 175.30 174.23 2rqe s GLN 88 N 0.27 3.83 0.00 5.12 2.00 -0.79 -3.89 119.66 126.20 2rqe s GLN 88 Ca 0.04 0.52 0.00 0.00 -2.00 0.00 0.00 55.36 53.92 2rqe s GLN 88 Cb -0.05 -2.39 0.00 0.00 0.80 0.00 0.00 33.01 31.37 2rqe s GLN 88 CO -0.12 0.00 0.00 -0.40 -0.50 0.00 0.00 175.29 174.27 2rqe n ASP 89 N -1.10 0.32 0.00 6.67 5.75 -1.26 -3.81 116.55 123.12 2rqe n ASP 89 Ca 0.03 -0.32 0.00 0.00 -0.01 0.00 0.00 54.79 54.49 2rqe n ASP 89 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 2rqe n ASP 89 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2rqe n ASN 90 N -0.85 0.00 -3.43 -1.12 2.85 -1.26 -4.67 115.26 106.78 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 -0.61 3.21 8.20 0.00 -1.19 -4.89 105.19 109.91 2rqe n GLY 91 Ca 0.00 0.97 0.04 0.00 0.00 0.00 0.00 46.02 47.04 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 -3.19 0.21 -0.25 1.61 2.12 -1.10 -4.34 118.70 113.77 2rqe s GLU 92 Ca 0.23 0.42 -0.03 0.00 0.36 0.00 0.00 54.97 55.94 2rqe s GLU 92 Cb -0.03 0.24 0.14 0.00 0.26 0.00 0.00 34.13 34.73 2rqe s GLU 92 CO 0.85 -0.17 0.41 -1.58 -0.54 0.00 0.00 175.26 174.23 2rqe s TRP 93 N 2.75 -0.92 0.11 5.30 0.51 0.25 -4.94 118.94 122.00 2rqe s TRP 93 Ca -0.01 1.00 -0.27 0.00 -2.12 0.00 0.00 56.10 54.70 2rqe s TRP 93 Cb -0.09 0.11 -0.06 0.00 -0.81 0.00 0.00 33.47 32.62 2rqe s TRP 93 CO -0.13 -0.72 0.86 0.99 -0.51 0.00 0.00 176.95 177.44 2rqe s THR 94 N 2.59 4.51 -0.31 2.01 2.01 -1.26 -0.04 115.64 125.15 2rqe s THR 94 Ca 0.12 1.86 -0.28 0.00 0.31 0.00 0.00 61.69 63.70 2rqe s THR 94 Cb -0.15 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 2rqe s THR 94 CO -0.16 0.39 1.83 -0.69 -0.69 0.00 0.00 174.62 175.30 2rqe s VAL 95 N -0.36 3.44 -0.06 3.82 1.01 -0.44 -4.79 120.40 123.03 2rqe s VAL 95 Ca 0.41 0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.93 2rqe s VAL 95 Cb -0.23 -3.58 0.13 0.00 0.00 0.00 0.00 36.38 32.70 2rqe s VAL 95 CO 0.27 -0.36 1.02 -0.62 0.00 0.00 0.00 175.10 175.41 2rqe n GLU 96 N 8.40 0.92 -4.02 2.72 1.02 -1.26 -2.74 120.64 125.68 2rqe n GLU 96 Ca 0.23 -1.70 -0.20 0.00 -0.02 0.00 0.00 57.16 55.48 2rqe n GLU 96 Cb 0.46 -0.99 -0.06 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.68 3.26 3.31 0.62 0.00 -1.26 -5.07 105.19 105.36 2rqe n GLY 97 Ca 0.07 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.97 -0.20 0.09 1.61 5.36 -1.26 -3.75 117.98 116.85 2rqe s PHE 98 Ca 0.24 -0.00 -0.26 0.00 -0.96 0.00 0.00 56.93 55.94 2rqe s PHE 98 Cb 0.01 0.21 0.08 0.00 -0.34 0.00 0.00 43.02 42.98 2rqe s PHE 98 CO 0.17 -0.63 0.88 0.14 -1.46 0.00 0.00 175.22 174.32 2rqe s VAL 99 N -3.20 0.00 -0.06 3.12 -7.23 -1.07 -4.61 120.40 107.36 2rqe s VAL 99 Ca -0.01 -0.32 0.02 0.00 -1.81 0.00 0.00 61.98 59.87 2rqe s VAL 99 Cb 0.01 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.51 2rqe s VAL 99 CO -0.08 0.00 -0.11 -1.81 -0.31 0.00 0.00 175.10 172.79 2rqe s ASP 100 N -2.72 1.60 -0.42 4.85 1.01 -1.26 -3.83 116.67 115.91 2rqe s ASP 100 Ca 0.08 -0.26 -0.05 0.00 0.71 0.00 0.00 52.55 53.02 2rqe s ASP 100 Cb -0.01 -0.69 -0.08 0.00 1.01 0.00 0.00 42.92 43.15 2rqe s ASP 100 CO -0.04 0.03 3.10 1.21 0.21 0.00 0.00 175.17 179.68 2rqe n GLU 101 N 3.73 2.50 0.00 8.23 4.07 -1.26 -5.06 120.64 132.84 2rqe n GLU 101 Ca -0.22 -1.88 0.00 0.00 -0.06 0.00 0.00 57.16 54.99 2rqe n GLU 101 Cb 0.52 -2.17 0.00 0.00 -0.06 0.00 0.00 31.44 29.73 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07