#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 0.93 -1.63 2.98 1.02 -1.26 -5.01 120.64 117.66 2rqe n GLU 2 Ca 0.00 -3.50 0.00 0.00 -0.02 0.00 0.00 57.16 53.64 2rqe n GLU 2 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2rqe n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rqe n ALA 3 N 1.69 -1.97 -1.18 0.62 0.00 -1.26 -4.37 120.51 114.03 2rqe n ALA 3 Ca 0.24 0.48 -0.29 0.00 0.00 0.00 0.00 53.44 53.88 2rqe n ALA 3 Cb 0.49 -1.47 0.16 0.00 0.00 0.00 0.00 19.45 18.63 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 -4.92 0.86 0.18 0.00 0.04 -1.26 -4.94 135.00 124.96 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 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.68 2rqe s PRO 4 CO 0.00 -2.48 1.32 -1.25 0.04 0.00 0.00 177.00 174.63 2rqe s PRO 5 N -4.95 4.38 0.13 0.56 0.04 -1.26 -4.98 135.00 128.92 2rqe s PRO 5 Ca 0.64 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 63.45 2rqe s PRO 5 Cb -0.18 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 31.08 2rqe s PRO 5 CO 0.57 -0.28 0.87 0.00 0.04 0.00 0.00 177.00 178.20 2rqe s ALA 6 N 0.32 3.33 -1.19 8.56 0.00 -1.26 -4.60 121.76 126.92 2rqe s ALA 6 Ca 0.58 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 2rqe s ALA 6 Cb -0.36 -3.13 0.21 0.00 0.00 0.00 0.00 23.12 19.84 2rqe s ALA 6 CO 0.36 0.10 1.43 2.41 0.00 0.00 0.00 175.76 180.07 2rqe n THR 7 N 2.33 4.43 -2.52 0.00 -1.04 0.15 -4.97 114.28 112.66 2rqe n THR 7 Ca -0.01 -4.93 -0.43 0.00 -2.04 0.00 0.00 64.05 56.64 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 0.26 3.56 0.00 -4.42 1.02 -1.26 -2.73 118.68 115.11 2rqe s LEU 8 Ca 0.39 0.45 -0.05 0.00 0.02 0.00 0.00 54.13 54.94 2rqe s LEU 8 Cb -0.02 -3.42 0.07 0.00 0.02 0.00 0.00 46.19 42.85 2rqe s LEU 8 CO -0.01 -1.39 0.45 -0.62 0.02 0.00 0.00 176.35 174.79 2rqe n GLU 9 N 8.12 -0.29 -3.66 1.70 1.02 0.70 -4.73 120.64 123.49 2rqe n GLU 9 Ca 0.12 -0.78 -0.28 0.00 -0.02 0.00 0.00 57.16 56.21 2rqe n GLU 9 Cb 0.49 -0.44 -0.11 0.00 -0.02 0.00 0.00 31.44 31.36 2rqe n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rqe s ALA 10 N -3.77 2.64 1.04 0.62 0.00 -1.25 -4.45 121.76 116.59 2rqe s ALA 10 Ca 0.26 -3.15 -0.15 0.00 0.00 0.00 0.00 51.96 48.93 2rqe s ALA 10 Cb -0.01 -1.89 0.21 0.00 0.00 0.00 0.00 23.12 21.42 2rqe s ALA 10 CO 0.18 -2.04 1.12 0.42 0.00 0.00 0.00 175.76 175.44 2rqe s ILE 11 N -0.67 1.89 1.15 0.00 -1.09 -1.26 -2.54 121.20 118.68 2rqe s ILE 11 Ca 0.28 0.00 -0.18 0.00 -2.23 0.00 0.00 60.65 58.52 2rqe s ILE 11 Cb -0.02 -2.59 0.17 0.00 -1.58 0.00 0.00 42.46 38.45 2rqe s ILE 11 CO -0.17 0.00 0.29 1.41 -1.23 0.00 0.00 174.94 175.24 2rqe n HIS 12 N -4.23 -1.69 0.50 3.97 8.25 -1.26 -4.65 115.22 116.11 2rqe n HIS 12 Ca 0.08 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2rqe n HIS 12 Cb 0.59 -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 -2.90 0.49 -0.34 -0.41 -0.04 -1.26 -2.31 135.00 128.24 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 0.58 -1.24 0.11 0.00 -0.04 0.00 0.00 33.50 32.91 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 0.23 0.95 -3.13 0.54 2.85 -1.24 -4.07 118.16 114.28 2rqe n LYS 14 Ca 0.00 -2.29 0.00 0.00 -1.05 0.00 0.00 58.31 54.97 2rqe n LYS 14 Cb 0.12 -1.20 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 -0.94 -1.97 3.39 2.58 0.00 0.01 -4.16 105.19 104.09 2rqe n GLY 15 Ca 0.12 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 2rqe n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rqe s LEU 16 N 0.00 0.68 -0.03 0.99 2.96 -1.14 -4.08 118.68 118.06 2rqe s LEU 16 Ca 0.00 -0.70 0.04 0.00 -0.22 0.00 0.00 54.13 53.25 2rqe s LEU 16 Cb 0.00 1.52 -0.00 0.00 0.50 0.00 0.00 46.19 48.21 2rqe s LEU 16 CO 0.00 -0.93 -0.14 -0.60 -1.32 0.00 0.00 176.35 173.36 2rqe s ARG 17 N -3.92 1.33 -0.24 1.98 3.52 -1.26 -0.23 118.95 120.13 2rqe s ARG 17 Ca 0.13 -0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 55.22 2rqe s ARG 17 Cb 0.02 -1.21 0.11 0.00 -1.56 0.00 0.00 34.95 32.31 2rqe s ARG 17 CO -0.02 0.22 0.26 0.08 -0.81 0.00 0.00 175.30 175.02 2rqe s VAL 18 N -0.01 -0.37 0.25 7.11 1.01 -0.70 -0.21 120.40 127.47 2rqe s VAL 18 Ca -0.01 -0.24 0.12 0.00 0.00 0.00 0.00 61.98 61.85 2rqe s VAL 18 Cb -0.09 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 2rqe s VAL 18 CO 0.01 -0.29 -0.21 -0.55 0.00 0.00 0.00 175.10 174.06 2rqe s SER 19 N 2.36 3.58 0.02 3.32 0.15 -1.11 -2.32 113.70 119.70 2rqe s SER 19 Ca 0.08 -0.95 -0.01 0.00 0.70 0.00 0.00 55.95 55.77 2rqe s SER 19 Cb -0.15 -0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 63.83 2rqe s SER 19 CO -0.19 0.07 -0.00 0.68 1.20 0.00 0.00 173.24 174.99 2rqe s VAL 20 N -2.19 0.12 -0.05 4.45 -7.23 -0.70 0.31 120.40 115.11 2rqe s VAL 20 Ca 0.27 -1.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.14 2rqe s VAL 20 Cb -0.06 -0.48 -0.05 0.00 0.56 0.00 0.00 36.38 36.35 2rqe s VAL 20 CO 0.13 -0.55 1.49 -2.16 -0.31 0.00 0.00 175.10 173.70 2rqe s PRO 21 N -1.83 4.23 -0.79 4.82 0.04 -1.26 -2.06 135.00 138.14 2rqe s PRO 21 Ca -0.12 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.67 2rqe s PRO 21 Cb -0.07 -3.77 0.04 0.00 0.04 0.00 0.00 34.50 30.74 2rqe s PRO 21 CO -0.02 -0.72 1.30 0.34 0.04 0.00 0.00 177.00 177.94 2rqe s ASP 22 N 2.50 6.23 -0.02 6.66 2.15 -1.26 -4.83 116.67 128.10 2rqe s ASP 22 Ca 0.66 -0.69 0.07 0.00 0.43 0.00 0.00 52.55 53.02 2rqe s ASP 22 Cb -0.31 -2.55 0.22 0.00 -0.30 0.00 0.00 42.92 39.98 2rqe s ASP 22 CO 0.26 -1.75 1.11 1.21 -0.17 0.00 0.00 175.17 175.83 2rqe n GLU 23 N 9.17 1.72 0.00 4.34 2.13 -1.26 -4.71 120.64 132.03 2rqe n GLU 23 Ca 0.09 -0.89 0.00 0.00 0.66 0.00 0.00 57.16 57.02 2rqe n GLU 23 Cb 0.49 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.88 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 0.71 1.42 3.66 8.31 0.00 -1.26 -5.07 105.19 112.97 2rqe n GLY 24 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.67 1.98 0.00 1.61 0.08 -1.26 -4.22 117.98 114.50 2rqe s PHE 25 Ca 0.00 1.30 0.00 0.00 0.12 0.00 0.00 56.93 58.35 2rqe s PHE 25 Cb 0.00 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 2rqe s PHE 25 CO 0.00 -2.82 0.00 0.45 -0.10 0.00 0.00 175.22 172.75 2rqe n SER 26 N -4.19 2.71 -3.71 1.36 2.88 0.17 -4.91 113.62 107.93 2rqe n SER 26 Ca 0.07 -0.10 -0.13 0.00 -1.33 0.00 0.00 58.87 57.37 2rqe n SER 26 Cb 0.55 0.75 -0.09 0.00 -0.75 0.00 0.00 64.21 64.66 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 -2.04 0.14 0.05 2.46 1.98 -1.23 -4.55 118.68 115.49 2rqe s LEU 27 Ca 0.00 0.98 0.04 0.00 -2.89 0.00 0.00 54.13 52.26 2rqe s LEU 27 Cb 0.00 1.66 -0.03 0.00 0.66 0.00 0.00 46.19 48.48 2rqe s LEU 27 CO 0.00 -0.17 -0.12 0.12 -1.89 0.00 0.00 176.35 174.29 2rqe s PHE 28 N 0.30 1.06 0.07 5.38 5.36 -0.20 -2.03 117.98 127.91 2rqe s PHE 28 Ca -0.00 -0.43 0.02 0.00 -0.96 0.00 0.00 56.93 55.55 2rqe s PHE 28 Cb -0.04 -0.61 -0.03 0.00 -0.34 0.00 0.00 43.02 42.00 2rqe s PHE 28 CO 0.00 0.02 -0.07 0.00 -1.46 0.00 0.00 175.22 173.71 2rqe s ALA 29 N -1.16 0.71 -0.09 11.12 0.00 -0.62 0.71 121.76 132.43 2rqe s ALA 29 Ca -0.03 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2rqe s ALA 29 Cb -0.09 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.17 2rqe s ALA 29 CO 0.02 -0.15 -0.12 -0.06 0.00 0.00 0.00 175.76 175.45 2rqe s PHE 30 N -2.56 1.62 -0.43 0.00 0.40 0.56 -3.65 117.98 113.92 2rqe s PHE 30 Ca 0.00 -0.72 0.05 0.00 -0.60 0.00 0.00 56.93 55.66 2rqe s PHE 30 Cb -0.02 -1.23 0.17 0.00 0.51 0.00 0.00 43.02 42.46 2rqe s PHE 30 CO -0.03 -0.41 0.48 -1.01 0.70 0.00 0.00 175.22 174.94 2rqe s HIS 31 N 1.09 -0.23 0.27 0.36 3.76 -1.12 -1.86 115.29 117.56 2rqe s HIS 31 Ca -0.06 -1.26 -0.04 0.00 -0.15 0.00 0.00 55.06 53.54 2rqe s HIS 31 Cb -0.14 -0.35 -0.01 0.00 1.11 0.00 0.00 32.58 33.18 2rqe s HIS 31 CO -0.02 -1.02 0.36 0.20 -0.85 0.00 0.00 174.74 173.42 2rqe s GLY 32 N 0.78 1.27 0.00 -2.22 0.00 -1.21 -3.67 107.32 102.27 2rqe s GLY 32 Ca 0.27 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2rqe s GLY 32 CO -0.09 -1.05 0.00 0.28 0.00 0.00 0.00 173.10 172.24 2rqe n LYS 33 N -0.43 1.34 -4.40 2.90 5.02 -1.26 -1.28 118.16 120.04 2rqe n LYS 33 Ca 0.01 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.07 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 2.23 -0.41 -0.35 2.96 -1.26 -4.31 118.68 117.54 2rqe s LEU 34 Ca 0.00 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 2rqe s LEU 34 Cb 0.00 -0.82 0.05 0.00 0.50 0.00 0.00 46.19 45.92 2rqe s LEU 34 CO 0.00 0.07 0.13 0.59 -1.32 0.00 0.00 176.35 175.82 2rqe n ASN 35 N 1.50 -1.03 -3.64 3.68 5.03 -1.03 -4.81 115.26 114.96 2rqe n ASN 35 Ca -0.19 0.05 -0.09 0.00 0.87 0.00 0.00 54.58 55.22 2rqe n ASN 35 Cb 0.54 -0.98 -0.07 0.00 -1.02 0.00 0.00 39.78 38.25 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 -4.78 0.69 0.26 3.52 2.12 -1.26 -5.09 118.70 114.16 2rqe s GLU 36 Ca 0.18 1.02 0.07 0.00 0.36 0.00 0.00 54.97 56.60 2rqe s GLU 36 Cb -0.11 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 2rqe s GLU 36 CO 0.22 -0.12 0.19 -1.83 -0.54 0.00 0.00 175.26 173.18 2rqe s GLU 37 N 1.04 2.85 0.54 4.30 -1.05 -1.26 -4.30 118.70 120.82 2rqe s GLU 37 Ca -0.05 -1.11 0.05 0.00 -0.15 0.00 0.00 54.97 53.71 2rqe s GLU 37 Cb -0.05 -2.52 0.03 0.00 -0.44 0.00 0.00 34.13 31.15 2rqe s GLU 37 CO -0.11 0.37 0.34 0.00 0.95 0.00 0.00 175.26 176.81 2rqe s MET 38 N -3.84 2.25 0.04 -4.83 0.23 -1.26 -5.10 119.30 106.79 2rqe s MET 38 Ca 0.33 -2.08 0.01 0.00 -1.03 0.00 0.00 55.69 52.92 2rqe s MET 38 Cb -0.08 -2.01 -0.03 0.00 -1.53 0.00 0.00 34.83 31.19 2rqe s MET 38 CO 0.25 -0.57 -0.05 -2.00 -2.03 0.00 0.00 175.02 170.62 2rqe s GLU 39 N -4.21 0.51 -1.69 3.16 -6.30 -1.26 -4.83 118.70 104.08 2rqe s GLU 39 Ca 0.30 -0.90 0.00 0.00 -2.50 0.00 0.00 54.97 51.86 2rqe s GLU 39 Cb -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 34.13 34.11 2rqe s GLU 39 CO 0.18 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.84 2rqe n GLY 40 N 0.96 0.25 3.37 -1.50 0.00 -1.26 -3.67 105.19 103.33 2rqe n GLY 40 Ca -0.20 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.49 -3.89 -4.71 0.99 4.77 -1.26 -5.01 117.00 105.41 2rqe n LEU 41 Ca -0.21 -0.07 -0.30 0.00 -0.03 0.00 0.00 56.01 55.40 2rqe n LEU 41 Cb 0.65 -2.09 -0.09 0.00 -2.33 0.00 0.00 43.42 39.56 2rqe n LEU 41 CO 0.26 -0.57 -0.25 -1.83 -1.33 0.00 0.00 177.39 173.67 2rqe s GLU 42 N -2.75 2.10 -0.61 3.23 -1.05 -1.24 -5.09 118.70 113.30 2rqe s GLU 42 Ca 0.31 -2.21 -0.25 0.00 -0.15 0.00 0.00 54.97 52.66 2rqe s GLU 42 Cb -0.04 -1.64 0.04 0.00 -0.44 0.00 0.00 34.13 32.05 2rqe s GLU 42 CO 0.85 -0.22 1.06 0.00 0.95 0.00 0.00 175.26 177.90 2rqe s ALA 43 N -2.78 3.04 0.00 -0.84 0.00 -1.26 -4.89 121.76 115.03 2rqe s ALA 43 Ca 0.22 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2rqe s ALA 43 Cb 0.05 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2rqe s ALA 43 CO 0.12 -2.67 0.00 0.41 0.00 0.00 0.00 175.76 173.62 2rqe n GLY 44 N 5.18 -3.23 0.04 0.00 0.00 -1.26 -4.97 105.19 100.96 2rqe n GLY 44 Ca 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.55 1.61 -0.00 -0.77 -4.86 115.22 109.66 2rqe n HIS 45 Ca 0.00 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.87 2rqe n HIS 45 Cb 0.00 -0.06 -0.05 0.00 -0.12 0.00 0.00 29.99 29.76 2rqe n HIS 45 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 2rqe n TRP 46 N -2.74 1.27 -3.69 1.57 8.01 -0.41 -4.86 117.44 116.59 2rqe n TRP 46 Ca -0.02 0.10 -0.39 0.00 -1.31 0.00 0.00 57.50 55.89 2rqe n TRP 46 Cb 0.06 -2.56 -0.11 0.00 -2.01 0.00 0.00 31.31 26.69 2rqe n TRP 46 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 2rqe s SER 47 N 11.44 5.44 0.13 -0.99 1.04 -1.25 -2.78 113.70 126.73 2rqe s SER 47 Ca 1.01 -1.54 -0.08 0.00 0.48 0.00 0.00 55.95 55.81 2rqe s SER 47 Cb -0.26 -1.91 -0.01 0.00 0.10 0.00 0.00 66.02 63.94 2rqe s SER 47 CO 0.24 -0.48 0.23 -0.60 0.98 0.00 0.00 173.24 173.61 2rqe s ARG 48 N 1.35 1.00 -0.13 4.02 3.52 -0.78 -5.00 118.95 122.93 2rqe s ARG 48 Ca 0.03 -1.09 -0.04 0.00 -0.13 0.00 0.00 55.73 54.50 2rqe s ARG 48 Cb -0.22 0.35 0.06 0.00 -1.56 0.00 0.00 34.95 33.59 2rqe s ARG 48 CO 0.01 -0.34 0.20 0.16 -0.81 0.00 0.00 175.30 174.51 2rqe s ASP 49 N -2.92 0.86 -0.37 -2.12 1.47 -1.26 -0.32 116.67 112.00 2rqe s ASP 49 Ca 0.12 0.23 -0.16 0.00 1.18 0.00 0.00 52.55 53.92 2rqe s ASP 49 Cb 0.04 0.39 0.00 0.00 -0.34 0.00 0.00 42.92 43.02 2rqe s ASP 49 CO -0.05 -0.27 0.38 -0.63 0.68 0.00 0.00 175.17 175.28 2rqe s ILE 50 N 2.33 5.16 -0.37 2.11 -1.09 0.22 -4.94 121.20 124.62 2rqe s ILE 50 Ca 0.04 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.32 2rqe s ILE 50 Cb -0.13 -3.90 0.52 0.00 -1.58 0.00 0.00 42.46 37.37 2rqe s ILE 50 CO -0.08 -0.22 1.74 0.35 -1.23 0.00 0.00 174.94 175.50 2rqe n THR 51 N 5.29 2.78 0.00 2.92 -2.24 -1.26 -1.03 114.28 120.74 2rqe n THR 51 Ca -0.09 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.12 2rqe n THR 51 Cb 0.48 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 -0.79 0.00 -0.58 -0.78 4.81 -1.26 -4.94 118.16 114.62 2rqe n LYS 52 Ca 0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.75 2rqe n LYS 52 Cb 1.40 0.00 0.14 0.00 0.02 0.00 0.00 35.03 36.59 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 -0.26 -2.22 0.00 1.64 -0.04 -1.26 -4.91 135.00 127.95 2rqe n PRO 53 Ca 0.00 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 2rqe n PRO 53 Cb 0.00 -0.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -3.38 0.00 -2.38 0.54 4.81 -0.61 -4.92 118.16 112.22 2rqe n LYS 54 Ca 0.08 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.30 2rqe n LYS 54 Cb 0.33 -0.03 0.01 0.00 0.02 0.00 0.00 35.03 35.36 2rqe n LYS 54 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2rqe n ASN 55 N -2.27 4.28 0.00 3.14 5.15 -1.26 -4.89 115.26 119.41 2rqe n ASN 55 Ca 0.00 -3.54 0.00 0.00 -0.60 0.00 0.00 54.58 50.44 2rqe n ASN 55 Cb 0.00 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 2rqe n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rqe n GLY 56 N -0.51 2.29 3.63 8.20 0.00 -1.26 -5.05 105.19 112.49 2rqe n GLY 56 Ca 0.36 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 2rqe n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rqe s ARG 57 N 0.00 2.03 -0.65 1.61 3.03 -1.26 -4.22 118.95 119.50 2rqe s ARG 57 Ca 0.00 -2.26 -0.19 0.00 2.03 0.00 0.00 55.73 55.31 2rqe s ARG 57 Cb 0.00 -1.10 0.11 0.00 -1.03 0.00 0.00 34.95 32.92 2rqe s ARG 57 CO 0.00 -0.38 0.79 -1.58 -1.13 0.00 0.00 175.30 173.00 2rqe s TRP 58 N -3.03 2.98 -0.09 5.89 0.52 -0.88 -1.58 118.94 122.76 2rqe s TRP 58 Ca 0.17 -0.98 -0.04 0.00 0.02 0.00 0.00 56.10 55.28 2rqe s TRP 58 Cb 0.03 -4.08 -0.04 0.00 -1.15 0.00 0.00 33.47 28.23 2rqe s TRP 58 CO 0.10 -1.36 0.08 0.42 0.02 0.00 0.00 176.95 176.21 2rqe s ILE 59 N 2.82 4.97 0.03 2.03 1.01 -1.26 -1.72 121.20 129.07 2rqe s ILE 59 Ca 0.16 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.77 2rqe s ILE 59 Cb -0.20 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 2rqe s ILE 59 CO 0.05 0.57 -0.07 0.12 0.00 0.00 0.00 174.94 175.60 2rqe s PHE 60 N -1.01 0.65 -0.05 3.97 5.36 -0.98 -4.90 117.98 121.02 2rqe s PHE 60 Ca 0.16 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 2rqe s PHE 60 Cb -0.12 -0.39 0.02 0.00 -0.34 0.00 0.00 43.02 42.19 2rqe s PHE 60 CO 0.05 -0.06 -0.03 1.03 -1.46 0.00 0.00 175.22 174.76 2rqe s ARG 61 N -1.17 0.72 0.41 10.12 3.00 -1.26 -1.71 118.95 129.07 2rqe s ARG 61 Ca -0.06 -0.03 0.08 0.00 0.00 0.00 0.00 55.73 55.72 2rqe s ARG 61 Cb -0.08 -0.85 -0.01 0.00 0.00 0.00 0.00 34.95 34.01 2rqe s ARG 61 CO 0.00 -0.15 0.45 0.34 0.00 0.00 0.00 175.30 175.94 2rqe s ASP 62 N 1.23 5.31 -0.02 0.23 -1.08 0.68 -4.94 116.67 118.08 2rqe s ASP 62 Ca -0.06 -0.60 0.04 0.00 -0.52 0.00 0.00 52.55 51.40 2rqe s ASP 62 Cb -0.14 -0.63 0.06 0.00 -1.46 0.00 0.00 42.92 40.75 2rqe s ASP 62 CO -0.02 -0.68 1.03 0.54 0.52 0.00 0.00 175.17 176.56 2rqe n ARG 63 N -1.66 0.20 -0.16 4.34 1.74 -1.26 -2.90 116.66 116.95 2rqe n ARG 63 Ca 0.05 -1.27 0.02 0.00 -0.77 0.00 0.00 57.85 55.88 2rqe n ARG 63 Cb 0.61 -0.64 0.02 0.00 -1.02 0.00 0.00 32.46 31.43 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 -0.21 0.73 -4.27 0.55 6.94 -1.26 -4.51 115.26 113.24 2rqe n ASN 64 Ca 0.03 -1.81 -0.42 0.00 -0.02 0.00 0.00 54.58 52.36 2rqe n ASN 64 Cb 0.70 -0.13 -0.08 0.00 -2.36 0.00 0.00 39.78 37.92 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 -0.63 3.44 -1.01 -2.53 0.00 -1.26 -4.87 121.76 114.90 2rqe s ALA 65 Ca 0.05 -2.39 -0.12 0.00 0.00 0.00 0.00 51.96 49.50 2rqe s ALA 65 Cb 0.04 -2.90 0.24 0.00 0.00 0.00 0.00 23.12 20.50 2rqe s ALA 65 CO 0.00 -1.84 1.01 0.00 0.00 0.00 0.00 175.76 174.93 2rqe s ALA 66 N 1.46 4.40 0.26 0.00 0.00 -1.26 -0.81 121.76 125.81 2rqe s ALA 66 Ca 0.04 -3.58 0.01 0.00 0.00 0.00 0.00 51.96 48.43 2rqe s ALA 66 Cb -0.26 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.21 2rqe s ALA 66 CO 0.02 -2.30 0.12 -0.48 0.00 0.00 0.00 175.76 173.12 2rqe s LEU 67 N -0.42 1.55 0.11 0.00 -0.00 -1.26 -4.94 118.68 113.72 2rqe s LEU 67 Ca 0.27 -1.43 -0.22 0.00 -0.00 0.00 0.00 54.13 52.75 2rqe s LEU 67 Cb -0.09 0.14 0.06 0.00 -0.00 0.00 0.00 46.19 46.29 2rqe s LEU 67 CO -0.08 -0.79 0.54 -1.59 -0.00 0.00 0.00 176.35 174.43 2rqe s LYS 68 N -4.00 1.16 -0.29 1.48 0.00 -1.26 -4.00 119.74 112.83 2rqe s LYS 68 Ca 0.38 -0.42 -0.26 0.00 0.00 0.00 0.00 55.97 55.66 2rqe s LYS 68 Cb 0.07 0.53 -0.11 0.00 0.00 0.00 0.00 37.83 38.32 2rqe s LYS 68 CO 0.14 -0.47 1.01 -0.89 0.00 0.00 0.00 175.35 175.15 2rqe n ILE 69 N -0.07 0.00 0.00 3.79 2.08 -1.26 -1.88 119.36 122.02 2rqe n ILE 69 Ca -0.17 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.14 2rqe n ILE 69 Cb 0.63 -0.29 0.00 0.00 -0.75 0.00 0.00 39.64 39.23 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 2.90 1.18 2.07 7.39 0.00 -1.11 -5.07 105.19 112.56 2rqe n GLY 70 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.14 -3.98 1.61 9.92 -0.79 -4.77 116.55 117.40 2rqe n ASP 71 Ca 0.00 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.79 53.17 2rqe n ASP 71 Cb 0.00 -0.58 -0.08 0.00 -0.64 0.00 0.00 41.12 39.82 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 0.95 0.01 -1.24 3.01 -1.26 -0.88 119.74 115.83 2rqe s LYS 72 Ca 0.41 -1.17 0.01 0.00 -1.01 0.00 0.00 55.97 54.21 2rqe s LYS 72 Cb -0.03 0.32 -0.01 0.00 -1.01 0.00 0.00 37.83 37.10 2rqe s LYS 72 CO 0.31 -0.30 -0.03 0.42 0.51 0.00 0.00 175.35 176.26 2rqe s ILE 73 N -3.95 0.18 -0.25 2.17 1.01 -0.12 -2.46 121.20 117.79 2rqe s ILE 73 Ca 0.14 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 2rqe s ILE 73 Cb 0.05 -0.22 0.11 0.00 0.01 0.00 0.00 42.46 42.42 2rqe s ILE 73 CO -0.04 -0.14 0.24 -0.31 0.00 0.00 0.00 174.94 174.69 2rqe s TYR 74 N -0.54 -0.29 0.00 3.97 1.51 -1.26 0.32 117.35 121.06 2rqe s TYR 74 Ca -0.05 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 2rqe s TYR 74 Cb -0.04 -0.45 0.00 0.00 -0.11 0.00 0.00 41.96 41.36 2rqe s TYR 74 CO -0.00 -0.75 0.00 1.97 -1.11 0.00 0.00 175.55 175.66 2rqe n PHE 75 N 5.31 -0.10 -4.12 2.71 -1.74 -1.26 -4.18 117.46 114.08 2rqe n PHE 75 Ca -0.04 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.72 2rqe n PHE 75 Cb 0.48 0.00 -0.06 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 -3.33 0.99 0.04 2.97 -2.14 -1.24 -2.83 118.94 113.40 2rqe s TRP 76 Ca 0.00 -1.22 -0.03 0.00 2.66 0.00 0.00 56.10 57.52 2rqe s TRP 76 Cb 0.00 -0.22 -0.03 0.00 -3.10 0.00 0.00 33.47 30.13 2rqe s TRP 76 CO 0.00 -0.93 0.02 0.95 -2.66 0.00 0.00 176.95 174.33 2rqe s THR 77 N -3.65 0.17 -0.05 0.66 -4.23 -1.26 -3.70 115.64 103.59 2rqe s THR 77 Ca 0.32 -1.38 0.06 0.00 -1.18 0.00 0.00 61.69 59.51 2rqe s THR 77 Cb 0.02 -1.07 -0.02 0.00 1.34 0.00 0.00 72.50 72.77 2rqe s THR 77 CO 0.16 -0.76 -0.22 0.12 -0.54 0.00 0.00 174.62 173.38 2rqe s PHE 78 N -3.03 2.49 0.21 3.99 2.19 -1.24 -0.68 117.98 121.91 2rqe s PHE 78 Ca -0.01 -0.48 0.02 0.00 0.33 0.00 0.00 56.93 56.79 2rqe s PHE 78 Cb 0.01 -1.59 -0.05 0.00 -1.31 0.00 0.00 43.02 40.09 2rqe s PHE 78 CO -0.07 -0.06 0.04 0.14 1.83 0.00 0.00 175.22 177.10 2rqe s VAL 79 N -0.43 0.68 -0.32 3.12 -7.23 0.24 -1.58 120.40 114.88 2rqe s VAL 79 Ca 0.04 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2rqe s VAL 79 Cb -0.12 -2.34 0.13 0.00 0.56 0.00 0.00 36.38 34.61 2rqe s VAL 79 CO 0.01 -0.28 0.22 -0.63 -0.31 0.00 0.00 175.10 174.11 2rqe s ILE 80 N -3.66 -0.11 0.08 -0.62 1.01 -0.86 -1.06 121.20 115.97 2rqe s ILE 80 Ca 0.30 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 60.02 2rqe s ILE 80 Cb 0.07 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 2rqe s ILE 80 CO 0.08 -0.73 -0.19 -0.75 0.00 0.00 0.00 174.94 173.35 2rqe s LYS 81 N 1.77 1.91 -0.86 2.79 2.20 -1.26 0.44 119.74 126.73 2rqe s LYS 81 Ca 0.13 -1.09 0.00 0.00 -0.36 0.00 0.00 55.97 54.65 2rqe s LYS 81 Cb -0.17 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 2rqe s LYS 81 CO -0.21 0.51 0.00 -0.25 -0.36 0.00 0.00 175.35 175.04 2rqe n ASP 82 N 1.19 -3.08 -2.51 1.43 9.92 -1.26 0.18 116.55 122.41 2rqe n ASP 82 Ca -0.16 0.26 -0.21 0.00 -0.53 0.00 0.00 54.79 54.15 2rqe n ASP 82 Cb 0.52 -2.72 -0.00 0.00 -0.64 0.00 0.00 41.12 38.28 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 -0.61 -0.50 0.11 0.44 0.00 -1.26 -4.90 105.19 98.46 2rqe n GLY 83 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.20 0.00 0.00 0.99 4.77 0.13 -5.14 117.00 114.54 2rqe n LEU 84 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2rqe n LEU 84 Cb 0.68 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2rqe n LEU 84 CO 0.32 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 2rqe n GLY 85 N 2.11 2.95 3.46 -0.72 0.00 -1.25 -4.91 105.19 106.83 2rqe n GLY 85 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 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 1.96 -0.26 1.61 1.51 -0.23 -4.95 117.35 116.99 2rqe s TYR 86 Ca 0.00 -0.98 -0.23 0.00 -1.01 0.00 0.00 57.07 54.85 2rqe s TYR 86 Cb 0.00 -1.28 0.07 0.00 -0.11 0.00 0.00 41.96 40.63 2rqe s TYR 86 CO 0.00 -0.01 0.68 0.50 -1.11 0.00 0.00 175.55 175.61 2rqe s ARG 87 N -3.88 0.79 0.62 -0.62 3.52 -1.26 -0.59 118.95 117.53 2rqe s ARG 87 Ca 0.35 0.98 -0.10 0.00 -0.13 0.00 0.00 55.73 56.82 2rqe s ARG 87 Cb 0.08 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.81 2rqe s ARG 87 CO 0.15 -0.10 1.02 -1.14 -0.81 0.00 0.00 175.30 174.42 2rqe s GLN 88 N 0.49 3.45 0.12 5.12 2.00 0.14 -4.61 119.66 126.36 2rqe s GLN 88 Ca -0.01 0.63 0.01 0.00 -2.00 0.00 0.00 55.36 53.99 2rqe s GLN 88 Cb -0.05 -2.10 -0.00 0.00 0.80 0.00 0.00 33.01 31.66 2rqe s GLN 88 CO -0.01 -0.63 0.15 -0.25 -0.50 0.00 0.00 175.29 174.05 2rqe n ASP 89 N -2.75 -0.40 0.00 6.67 8.00 -1.26 -4.13 116.55 122.68 2rqe n ASP 89 Ca 0.06 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.84 2rqe n ASP 89 Cb 0.55 0.80 0.00 0.00 -0.02 0.00 0.00 41.12 42.44 2rqe n ASP 89 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2rqe n ASN 90 N -2.16 0.00 -2.62 -2.24 4.05 -1.26 -4.73 115.26 106.29 2rqe n ASN 90 Ca 0.01 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 54.82 2rqe n ASN 90 Cb 0.21 0.00 0.02 0.00 1.23 0.00 0.00 39.78 41.24 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 0.11 3.16 8.20 0.00 -1.13 -4.86 105.19 110.67 2rqe n GLY 91 Ca 0.00 0.64 0.05 0.00 0.00 0.00 0.00 46.02 46.71 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 -1.46 0.21 -0.27 1.61 2.12 -1.18 -4.20 118.70 115.53 2rqe s GLU 92 Ca 0.21 0.39 -0.00 0.00 0.36 0.00 0.00 54.97 55.93 2rqe s GLU 92 Cb -0.02 0.22 0.15 0.00 0.26 0.00 0.00 34.13 34.74 2rqe s GLU 92 CO 0.48 -0.22 0.43 -1.58 -0.54 0.00 0.00 175.26 173.83 2rqe s TRP 93 N 2.91 -1.05 0.18 5.30 0.51 0.15 -4.97 118.94 121.97 2rqe s TRP 93 Ca 0.00 0.78 -0.30 0.00 -2.12 0.00 0.00 56.10 54.46 2rqe s TRP 93 Cb -0.10 0.05 -0.08 0.00 -0.81 0.00 0.00 33.47 32.53 2rqe s TRP 93 CO -0.12 -0.86 1.07 0.99 -0.51 0.00 0.00 176.95 177.52 2rqe s THR 94 N 2.60 3.92 -0.29 2.01 2.01 -1.26 -0.94 115.64 123.69 2rqe s THR 94 Ca 0.13 1.69 -0.28 0.00 0.31 0.00 0.00 61.69 63.54 2rqe s THR 94 Cb -0.14 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 2rqe s THR 94 CO -0.22 0.31 1.97 -0.69 -0.69 0.00 0.00 174.62 175.30 2rqe s VAL 95 N -0.37 3.29 0.00 3.82 1.01 -0.06 -4.75 120.40 123.34 2rqe s VAL 95 Ca 0.48 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2rqe s VAL 95 Cb -0.29 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2rqe s VAL 95 CO 0.35 -0.25 0.55 -0.62 0.00 0.00 0.00 175.10 175.12 2rqe n GLU 96 N 8.57 0.62 -4.05 2.72 1.02 -1.26 -2.76 120.64 125.50 2rqe n GLU 96 Ca 0.26 -0.69 -0.27 0.00 -0.02 0.00 0.00 57.16 56.44 2rqe n GLU 96 Cb 0.46 -0.78 -0.03 0.00 -0.02 0.00 0.00 31.44 31.06 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 -0.15 3.26 3.38 0.62 0.00 -1.26 -5.05 105.19 105.99 2rqe n GLY 97 Ca 0.00 -2.33 -0.13 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.56 -0.39 0.15 1.61 5.36 -1.26 -3.80 117.98 117.10 2rqe s PHE 98 Ca 0.12 0.36 -0.15 0.00 -0.96 0.00 0.00 56.93 56.29 2rqe s PHE 98 Cb -0.01 0.34 0.05 0.00 -0.34 0.00 0.00 43.02 43.06 2rqe s PHE 98 CO 0.08 -0.66 0.73 1.33 -1.46 0.00 0.00 175.22 175.24 2rqe n VAL 99 N 0.27 0.00 -3.83 3.12 0.24 -1.05 -4.63 118.33 112.44 2rqe n VAL 99 Ca -0.18 -0.45 -0.15 0.00 -2.04 0.00 0.00 64.34 61.53 2rqe n VAL 99 Cb 0.61 0.58 -0.16 0.00 -1.47 0.00 0.00 33.84 33.41 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 -2.75 0.14 -0.65 -1.34 1.11 -1.26 -4.04 116.67 107.88 2rqe s ASP 100 Ca 0.16 0.02 -0.06 0.00 0.18 0.00 0.00 52.55 52.84 2rqe s ASP 100 Cb -0.02 -0.09 -0.14 0.00 1.07 0.00 0.00 42.92 43.74 2rqe s ASP 100 CO 0.05 -0.10 2.80 1.21 1.18 0.00 0.00 175.17 180.31 2rqe n GLU 101 N 3.95 2.29 0.00 8.23 2.13 -1.26 -5.02 120.64 130.96 2rqe n GLU 101 Ca -0.25 -1.33 0.00 0.00 0.66 0.00 0.00 57.16 56.24 2rqe n GLU 101 Cb 0.52 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.96 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72