#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 0.72 -0.89 2.98 1.02 -1.26 -5.02 120.64 118.19 2rqe n GLU 2 Ca 0.00 -2.93 0.00 0.00 -0.02 0.00 0.00 57.16 54.21 2rqe n GLU 2 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.47 -1.51 -1.21 0.62 0.00 -1.26 -3.93 120.51 114.70 2rqe n ALA 3 Ca 0.19 0.26 -0.30 0.00 0.00 0.00 0.00 53.44 53.59 2rqe n ALA 3 Cb 0.55 -1.03 0.14 0.00 0.00 0.00 0.00 19.45 19.11 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 -4.75 1.30 0.20 0.00 0.04 -1.26 -4.89 135.00 125.64 2rqe s PRO 4 Ca 0.00 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 2rqe s PRO 4 Cb 0.00 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 2rqe s PRO 4 CO 0.00 -2.21 1.30 -1.25 0.04 0.00 0.00 177.00 174.88 2rqe s PRO 5 N -4.93 4.39 0.21 0.56 0.04 -1.26 -4.98 135.00 129.03 2rqe s PRO 5 Ca 0.63 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.45 2rqe s PRO 5 Cb -0.18 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 2rqe s PRO 5 CO 0.57 -0.25 0.84 0.00 0.04 0.00 0.00 177.00 178.20 2rqe s ALA 6 N 0.11 3.39 -1.14 8.56 0.00 -1.26 -4.63 121.76 126.78 2rqe s ALA 6 Ca 0.57 0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 2rqe s ALA 6 Cb -0.36 -3.05 0.25 0.00 0.00 0.00 0.00 23.12 19.96 2rqe s ALA 6 CO 0.38 0.26 1.24 2.41 0.00 0.00 0.00 175.76 180.05 2rqe n THR 7 N 1.40 4.54 -2.75 0.00 -1.04 0.12 -4.98 114.28 111.57 2rqe n THR 7 Ca -0.04 -5.24 -0.43 0.00 -2.04 0.00 0.00 64.05 56.31 2rqe n THR 7 Cb 0.48 -2.52 -0.03 0.00 -1.82 0.00 0.00 70.33 66.44 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 -0.66 3.93 0.00 -4.42 1.02 -1.26 -2.88 118.68 114.41 2rqe s LEU 8 Ca 0.34 0.53 0.00 0.00 0.02 0.00 0.00 54.13 55.02 2rqe s LEU 8 Cb -0.07 -3.33 0.00 0.00 0.02 0.00 0.00 46.19 42.81 2rqe s LEU 8 CO -0.05 -0.96 0.00 -0.62 0.02 0.00 0.00 176.35 174.74 2rqe n GLU 9 N 7.04 1.69 -3.36 1.70 -0.58 -0.21 -4.70 120.64 122.22 2rqe n GLU 9 Ca 0.08 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.57 2rqe n GLU 9 Cb 0.48 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.26 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 -3.64 1.18 1.04 0.62 0.00 -1.23 -4.63 121.76 115.10 2rqe s ALA 10 Ca 0.00 -2.31 -0.14 0.00 0.00 0.00 0.00 51.96 49.50 2rqe s ALA 10 Cb 0.00 -1.65 0.21 0.00 0.00 0.00 0.00 23.12 21.68 2rqe s ALA 10 CO 0.00 -1.99 1.12 0.42 0.00 0.00 0.00 175.76 175.31 2rqe s ILE 11 N 0.14 1.89 1.16 0.00 -1.09 -1.26 -2.89 121.20 119.16 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 -2.56 0.19 0.00 -1.58 0.00 0.00 42.46 38.53 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 -4.26 -1.79 0.51 3.97 8.25 -1.26 -4.64 115.22 116.01 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 30.16 2rqe n HIS 12 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2rqe n PRO 13 N -3.05 0.49 -0.17 -0.41 -0.04 -1.26 -2.25 135.00 128.31 2rqe n PRO 13 Ca 0.03 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 2rqe n PRO 13 Cb 0.57 -1.23 0.11 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.22 1.01 -3.45 0.54 2.85 -1.25 -4.19 118.16 113.89 2rqe n LYS 14 Ca 0.00 -2.20 0.00 0.00 -1.05 0.00 0.00 58.31 55.06 2rqe n LYS 14 Cb 0.12 -1.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.23 2rqe n LYS 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2rqe n GLY 15 N -1.10 -2.13 3.46 2.58 0.00 -0.08 -4.00 105.19 103.93 2rqe n GLY 15 Ca 0.12 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 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 0.50 -0.02 0.99 2.96 -1.24 -4.08 118.68 117.80 2rqe s LEU 16 Ca 0.00 -0.76 0.05 0.00 -0.22 0.00 0.00 54.13 53.19 2rqe s LEU 16 Cb 0.00 1.65 -0.01 0.00 0.50 0.00 0.00 46.19 48.33 2rqe s LEU 16 CO 0.00 -1.01 -0.15 -0.60 -1.32 0.00 0.00 176.35 173.27 2rqe s ARG 17 N -3.95 1.29 -0.27 1.98 3.52 -1.26 -0.27 118.95 119.99 2rqe s ARG 17 Ca 0.16 -0.54 -0.01 0.00 -0.13 0.00 0.00 55.73 55.22 2rqe s ARG 17 Cb 0.01 -1.22 0.14 0.00 -1.56 0.00 0.00 34.95 32.32 2rqe s ARG 17 CO 0.02 0.30 0.38 0.08 -0.81 0.00 0.00 175.30 175.27 2rqe s VAL 18 N -0.27 -0.60 0.28 7.11 1.01 -0.32 -1.04 120.40 126.57 2rqe s VAL 18 Ca 0.04 -0.19 0.09 0.00 0.00 0.00 0.00 61.98 61.92 2rqe s VAL 18 Cb -0.07 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 2rqe s VAL 18 CO -0.00 -0.22 -0.13 -0.55 0.00 0.00 0.00 175.10 174.20 2rqe s SER 19 N 2.53 3.26 0.02 3.32 0.15 -1.14 -2.44 113.70 119.40 2rqe s SER 19 Ca 0.11 -1.10 -0.01 0.00 0.70 0.00 0.00 55.95 55.65 2rqe s SER 19 Cb -0.14 -0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 63.90 2rqe s SER 19 CO -0.23 -0.14 -0.02 0.68 1.20 0.00 0.00 173.24 174.73 2rqe s VAL 20 N -2.73 0.12 -0.05 4.45 -7.23 -0.34 0.13 120.40 114.75 2rqe s VAL 20 Ca 0.29 -1.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.17 2rqe s VAL 20 Cb -0.00 -0.42 -0.05 0.00 0.56 0.00 0.00 36.38 36.47 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 -1.74 4.23 0.18 4.82 0.04 -1.26 -2.20 135.00 139.07 2rqe s PRO 21 Ca -0.13 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 2rqe s PRO 21 Cb -0.08 -3.77 -0.08 0.00 0.04 0.00 0.00 34.50 30.61 2rqe s PRO 21 CO -0.02 -0.71 0.80 0.34 0.04 0.00 0.00 177.00 177.45 2rqe s ASP 22 N 2.48 7.43 -0.00 6.66 2.15 -1.26 -4.93 116.67 129.21 2rqe s ASP 22 Ca 0.66 1.70 0.01 0.00 0.43 0.00 0.00 52.55 55.34 2rqe s ASP 22 Cb -0.31 -2.52 0.01 0.00 -0.30 0.00 0.00 42.92 39.81 2rqe s ASP 22 CO 0.26 0.20 0.69 -0.62 -0.17 0.00 0.00 175.17 175.53 2rqe n GLU 23 N 1.57 0.36 0.00 4.34 -0.58 -1.26 -4.94 120.64 120.13 2rqe n GLU 23 Ca -0.05 -0.79 0.00 0.00 -0.42 0.00 0.00 57.16 55.90 2rqe n GLU 23 Cb 0.48 -0.59 0.00 0.00 -0.57 0.00 0.00 31.44 30.77 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 -0.10 -0.57 3.61 0.62 0.00 -1.26 -5.04 105.19 102.45 2rqe n GLY 24 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.32 -0.14 1.61 3.72 -1.26 -3.83 117.46 117.87 2rqe n PHE 25 Ca 0.00 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.75 2rqe n PHE 25 Cb 0.00 -1.95 0.00 0.00 -0.94 0.00 0.00 39.48 36.59 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 -3.63 0.15 -3.65 4.37 2.88 0.23 -4.89 113.62 109.07 2rqe n SER 26 Ca 0.11 -0.48 -0.14 0.00 -1.33 0.00 0.00 58.87 57.03 2rqe n SER 26 Cb 0.52 0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 64.27 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 -0.72 -0.43 0.02 2.46 1.98 -1.22 -4.60 118.68 116.17 2rqe s LEU 27 Ca 0.00 1.23 0.01 0.00 -2.89 0.00 0.00 54.13 52.49 2rqe s LEU 27 Cb 0.00 2.20 -0.01 0.00 0.66 0.00 0.00 46.19 49.03 2rqe s LEU 27 CO 0.00 -0.25 -0.05 0.12 -1.89 0.00 0.00 176.35 174.28 2rqe s PHE 28 N 0.22 0.42 0.20 5.38 5.36 -0.03 -1.94 117.98 127.59 2rqe s PHE 28 Ca -0.01 -0.34 0.04 0.00 -0.96 0.00 0.00 56.93 55.67 2rqe s PHE 28 Cb -0.04 -0.26 -0.05 0.00 -0.34 0.00 0.00 43.02 42.32 2rqe s PHE 28 CO 0.01 -0.08 -0.05 0.00 -1.46 0.00 0.00 175.22 173.64 2rqe s ALA 29 N -0.90 1.69 -0.21 11.12 0.00 -0.12 0.89 121.76 134.23 2rqe s ALA 29 Ca -0.07 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.20 2rqe s ALA 29 Cb -0.07 0.28 0.10 0.00 0.00 0.00 0.00 23.12 23.43 2rqe s ALA 29 CO -0.00 -0.17 0.28 0.12 0.00 0.00 0.00 175.76 175.99 2rqe s PHE 30 N -3.35 -0.49 -0.34 0.00 2.19 0.55 -3.93 117.98 112.61 2rqe s PHE 30 Ca 0.23 0.56 0.01 0.00 0.33 0.00 0.00 56.93 58.06 2rqe s PHE 30 Cb 0.04 -0.17 0.14 0.00 -1.31 0.00 0.00 43.02 41.72 2rqe s PHE 30 CO 0.05 -0.60 0.28 -1.01 1.83 0.00 0.00 175.22 175.77 2rqe s HIS 31 N 2.42 0.09 0.34 10.12 3.76 -1.25 -1.27 115.29 129.51 2rqe s HIS 31 Ca 0.08 -1.02 0.01 0.00 -0.15 0.00 0.00 55.06 53.98 2rqe s HIS 31 Cb -0.15 -0.64 -0.00 0.00 1.11 0.00 0.00 32.58 32.90 2rqe s HIS 31 CO -0.13 -0.90 0.42 0.41 -0.85 0.00 0.00 174.74 173.69 2rqe n GLY 32 N 4.43 2.37 0.00 -2.22 0.00 -1.25 -3.85 105.19 104.66 2rqe n GLY 32 Ca 0.08 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.58 0.84 -3.86 1.61 5.02 -1.26 -0.96 118.16 118.96 2rqe n LYS 33 Ca 0.03 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 2rqe n LYS 33 Cb 0.58 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.48 2rqe n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2rqe s LEU 34 N 0.00 1.63 -0.40 -0.35 2.96 -1.26 -4.16 118.68 117.10 2rqe s LEU 34 Ca 0.00 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2rqe s LEU 34 Cb 0.00 0.48 0.00 0.00 0.50 0.00 0.00 46.19 47.17 2rqe s LEU 34 CO 0.00 -0.20 0.00 0.59 -1.32 0.00 0.00 176.35 175.42 2rqe n ASN 35 N 2.26 -5.24 -3.66 3.68 5.03 -1.23 -4.88 115.26 111.23 2rqe n ASN 35 Ca -0.18 0.09 -0.09 0.00 0.87 0.00 0.00 54.58 55.28 2rqe n ASN 35 Cb 0.57 -3.41 -0.08 0.00 -1.02 0.00 0.00 39.78 35.84 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 -2.14 0.60 -0.04 3.52 2.56 -1.26 -5.13 118.70 116.81 2rqe s GLU 36 Ca 0.00 1.05 -0.03 0.00 0.00 0.00 0.00 54.97 55.99 2rqe s GLU 36 Cb 0.00 0.09 -0.04 0.00 2.00 0.00 0.00 34.13 36.18 2rqe s GLU 36 CO 0.00 -0.15 0.12 -1.83 -0.56 0.00 0.00 175.26 172.84 2rqe s GLU 37 N 1.48 3.25 0.60 4.30 -1.05 -1.26 -4.53 118.70 121.48 2rqe s GLU 37 Ca -0.09 -0.35 0.01 0.00 -0.15 0.00 0.00 54.97 54.38 2rqe s GLU 37 Cb -0.06 -2.99 0.06 0.00 -0.44 0.00 0.00 34.13 30.70 2rqe s GLU 37 CO -0.16 0.69 0.84 0.00 0.95 0.00 0.00 175.26 177.58 2rqe s MET 38 N -1.56 2.27 0.14 -4.83 0.23 -1.26 -5.12 119.30 109.17 2rqe s MET 38 Ca 0.21 -0.92 0.05 0.00 -1.03 0.00 0.00 55.69 54.01 2rqe s MET 38 Cb -0.12 -2.44 -0.04 0.00 -1.53 0.00 0.00 34.83 30.69 2rqe s MET 38 CO 0.12 -0.95 -0.11 -2.00 -2.03 0.00 0.00 175.02 170.05 2rqe s GLU 39 N -4.88 1.04 -1.36 3.16 2.12 -1.26 -4.80 118.70 112.72 2rqe s GLU 39 Ca 0.60 -1.36 -0.08 0.00 0.36 0.00 0.00 54.97 54.50 2rqe s GLU 39 Cb -0.09 -0.72 0.05 0.00 0.26 0.00 0.00 34.13 33.63 2rqe s GLU 39 CO 0.40 0.11 0.52 0.41 -0.54 0.00 0.00 175.26 176.16 2rqe n GLY 40 N 0.10 -0.50 3.26 -1.50 0.00 -1.26 -3.41 105.19 101.89 2rqe n GLY 40 Ca -0.12 0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.80 -2.88 -4.55 0.99 4.77 -1.26 -4.99 117.00 105.27 2rqe n LEU 41 Ca -0.05 0.10 -0.26 0.00 -0.03 0.00 0.00 56.01 55.78 2rqe n LEU 41 Cb 0.57 -1.52 -0.09 0.00 -2.33 0.00 0.00 43.42 40.04 2rqe n LEU 41 CO 0.49 -0.65 -0.24 -1.83 -1.33 0.00 0.00 177.39 173.83 2rqe s GLU 42 N -1.68 1.88 -0.76 3.23 -1.05 -1.22 -5.08 118.70 114.01 2rqe s GLU 42 Ca 0.19 -2.12 -0.27 0.00 -0.15 0.00 0.00 54.97 52.63 2rqe s GLU 42 Cb -0.02 -1.00 0.03 0.00 -0.44 0.00 0.00 34.13 32.70 2rqe s GLU 42 CO 0.44 -0.30 1.33 0.00 0.95 0.00 0.00 175.26 177.68 2rqe s ALA 43 N -3.12 2.71 0.00 -0.84 0.00 -1.26 -4.94 121.76 114.31 2rqe s ALA 43 Ca 0.26 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2rqe s ALA 43 Cb 0.06 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 18.88 2rqe s ALA 43 CO 0.13 -3.36 0.00 0.41 0.00 0.00 0.00 175.76 172.94 2rqe n GLY 44 N 5.56 -2.80 0.21 0.00 0.00 -1.26 -4.97 105.19 101.93 2rqe n GLY 44 Ca 0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.67 1.61 -0.00 -1.14 -4.98 115.22 110.04 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 -0.20 0.17 0.00 -0.12 0.00 0.00 29.99 29.84 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 -3.38 0.01 -3.51 1.57 8.01 -0.14 -4.91 117.44 115.10 2rqe n TRP 46 Ca -0.06 0.29 -0.00 0.00 -1.31 0.00 0.00 57.50 56.42 2rqe n TRP 46 Cb 0.21 -1.90 -0.05 0.00 -2.01 0.00 0.00 31.31 27.56 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 -2.44 -0.69 -0.08 -0.99 1.04 -1.19 -3.96 113.70 105.38 2rqe s SER 47 Ca 0.65 0.99 -0.30 0.00 0.48 0.00 0.00 55.95 57.76 2rqe s SER 47 Cb -0.22 1.68 0.11 0.00 0.10 0.00 0.00 66.02 67.69 2rqe s SER 47 CO 0.61 -0.14 0.93 -0.60 0.98 0.00 0.00 173.24 175.02 2rqe s ARG 48 N 2.27 0.72 -0.25 4.02 3.00 -0.39 -4.98 118.95 123.34 2rqe s ARG 48 Ca -0.05 -0.08 -0.04 0.00 -1.00 0.00 0.00 55.73 54.56 2rqe s ARG 48 Cb -0.07 0.34 0.09 0.00 0.00 0.00 0.00 34.95 35.31 2rqe s ARG 48 CO -0.17 -0.28 0.15 0.34 0.00 0.00 0.00 175.30 175.34 2rqe s ASP 49 N -1.84 2.86 -0.30 -2.12 2.15 -1.26 -0.33 116.67 115.84 2rqe s ASP 49 Ca 0.02 -0.98 -0.28 0.00 0.43 0.00 0.00 52.55 51.73 2rqe s ASP 49 Cb -0.01 -0.17 0.01 0.00 -0.30 0.00 0.00 42.92 42.46 2rqe s ASP 49 CO -0.03 -0.40 1.03 -0.63 -0.17 0.00 0.00 175.17 174.96 2rqe s ILE 50 N 2.16 4.57 -0.48 4.11 -1.09 0.26 -4.91 121.20 125.81 2rqe s ILE 50 Ca 0.07 1.72 0.03 0.00 -2.23 0.00 0.00 60.65 60.24 2rqe s ILE 50 Cb -0.16 -4.36 0.60 0.00 -1.58 0.00 0.00 42.46 36.96 2rqe s ILE 50 CO -0.28 -0.40 1.92 0.35 -1.23 0.00 0.00 174.94 175.31 2rqe n THR 51 N 5.73 3.24 0.00 2.92 -2.24 -1.26 -0.85 114.28 121.82 2rqe n THR 51 Ca 0.11 -2.08 0.00 0.00 -2.27 0.00 0.00 64.05 59.81 2rqe n THR 51 Cb 0.47 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 2rqe n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2rqe n LYS 52 N -1.04 0.00 -1.17 -0.78 5.02 -1.26 -4.94 118.16 113.99 2rqe n LYS 52 Ca 0.59 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.59 2rqe n LYS 52 Cb 1.42 0.00 0.17 0.00 -0.02 0.00 0.00 35.03 36.60 2rqe n LYS 52 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2rqe s PRO 53 N -0.57 0.64 -0.15 1.97 0.04 -1.26 -4.91 135.00 130.76 2rqe s PRO 53 Ca 0.00 0.61 -0.04 0.00 0.04 0.00 0.00 61.00 61.61 2rqe s PRO 53 Cb 0.00 -1.75 0.06 0.00 0.04 0.00 0.00 34.50 32.85 2rqe s PRO 53 CO 0.00 -2.61 0.13 0.21 0.04 0.00 0.00 177.00 174.77 2rqe s LYS 54 N -4.95 0.07 -0.16 4.56 2.20 0.97 -4.83 119.74 117.60 2rqe s LYS 54 Ca 0.65 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 2rqe s LYS 54 Cb -0.18 -1.26 0.00 0.00 -1.51 0.00 0.00 37.83 34.88 2rqe s LYS 54 CO 0.57 -0.57 0.00 -1.71 -0.36 0.00 0.00 175.35 173.29 2rqe n ASN 55 N 5.30 -1.84 0.00 1.43 5.15 -1.26 -3.33 115.26 120.71 2rqe n ASN 55 Ca -0.06 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 2rqe n ASN 55 Cb 0.49 -0.88 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 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 -1.41 3.05 3.33 8.20 0.00 -1.26 -5.00 105.19 112.11 2rqe n GLY 56 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.28 1.30 -0.69 1.61 3.00 -1.21 -4.22 118.95 118.46 2rqe s ARG 57 Ca 0.00 -1.60 -0.26 0.00 0.00 0.00 0.00 55.73 53.87 2rqe s ARG 57 Cb 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 34.95 34.07 2rqe s ARG 57 CO 0.00 0.09 1.18 -1.58 0.00 0.00 0.00 175.30 174.98 2rqe s TRP 58 N -3.14 2.44 -0.10 -0.53 0.52 -0.93 -0.02 118.94 117.18 2rqe s TRP 58 Ca 0.23 -0.09 -0.03 0.00 0.02 0.00 0.00 56.10 56.23 2rqe s TRP 58 Cb 0.02 -4.51 -0.03 0.00 -1.15 0.00 0.00 33.47 27.80 2rqe s TRP 58 CO 0.06 -1.88 0.03 0.42 0.02 0.00 0.00 176.95 175.61 2rqe s ILE 59 N 5.16 4.53 0.00 2.03 1.01 -1.26 -1.20 121.20 131.47 2rqe s ILE 59 Ca 0.33 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.84 2rqe s ILE 59 Cb -0.10 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 2rqe s ILE 59 CO 0.16 0.60 -0.07 0.12 0.00 0.00 0.00 174.94 175.75 2rqe s PHE 60 N -0.80 0.58 -0.04 3.97 5.36 -1.02 -4.87 117.98 121.16 2rqe s PHE 60 Ca 0.12 -0.18 0.01 0.00 -0.96 0.00 0.00 56.93 55.93 2rqe s PHE 60 Cb -0.12 -0.37 0.02 0.00 -0.34 0.00 0.00 43.02 42.22 2rqe s PHE 60 CO 0.02 -0.02 -0.05 1.03 -1.46 0.00 0.00 175.22 174.74 2rqe s ARG 61 N -0.42 0.87 0.53 10.12 3.00 -1.26 -1.17 118.95 130.61 2rqe s ARG 61 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 55.73 55.68 2rqe s ARG 61 Cb -0.04 -0.85 0.08 0.00 0.00 0.00 0.00 34.95 34.14 2rqe s ARG 61 CO -0.00 -0.06 0.68 -0.25 0.00 0.00 0.00 175.30 175.67 2rqe n ASP 62 N 3.94 2.05 -0.28 0.23 8.00 0.63 -4.94 116.55 126.18 2rqe n ASP 62 Ca -0.25 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 52.79 2rqe n ASP 62 Cb 0.51 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2rqe n ASP 62 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2rqe n ARG 63 N -2.09 0.00 0.00 -1.24 0.63 -1.26 -3.61 116.66 109.09 2rqe n ARG 63 Ca 0.12 -0.59 0.00 0.00 -0.92 0.00 0.00 57.85 56.46 2rqe n ARG 63 Cb 0.56 -0.38 0.00 0.00 0.45 0.00 0.00 32.46 33.09 2rqe n ARG 63 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2rqe n ASN 64 N 0.00 0.58 -4.45 6.15 0.23 -1.26 -4.43 115.26 112.08 2rqe n ASN 64 Ca 0.00 -1.15 -0.43 0.00 -0.53 0.00 0.00 54.58 52.46 2rqe n ASN 64 Cb 0.58 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.24 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 -0.15 3.18 -0.99 -2.53 0.00 -1.26 -4.81 121.76 115.19 2rqe s ALA 65 Ca 0.00 -1.82 -0.11 0.00 0.00 0.00 0.00 51.96 50.02 2rqe s ALA 65 Cb 0.00 -3.77 0.25 0.00 0.00 0.00 0.00 23.12 19.60 2rqe s ALA 65 CO 0.00 -2.62 0.97 0.00 0.00 0.00 0.00 175.76 174.11 2rqe s ALA 66 N 3.77 4.43 0.33 0.00 0.00 -1.26 -0.90 121.76 128.12 2rqe s ALA 66 Ca 0.21 -3.60 0.03 0.00 0.00 0.00 0.00 51.96 48.61 2rqe s ALA 66 Cb -0.18 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 2rqe s ALA 66 CO 0.11 -2.26 0.08 -0.48 0.00 0.00 0.00 175.76 173.20 2rqe s LEU 67 N -0.53 2.06 -0.06 0.00 -0.00 -1.26 -4.95 118.68 113.93 2rqe s LEU 67 Ca 0.26 -1.43 -0.19 0.00 -0.00 0.00 0.00 54.13 52.77 2rqe s LEU 67 Cb -0.10 -0.27 0.04 0.00 -0.00 0.00 0.00 46.19 45.86 2rqe s LEU 67 CO -0.08 -0.68 0.43 -1.59 -0.00 0.00 0.00 176.35 174.43 2rqe s LYS 68 N -3.89 0.73 -0.27 1.48 0.00 -1.26 -4.09 119.74 112.43 2rqe s LYS 68 Ca 0.35 0.12 -0.25 0.00 0.00 0.00 0.00 55.97 56.19 2rqe s LYS 68 Cb 0.08 0.33 -0.11 0.00 0.00 0.00 0.00 37.83 38.13 2rqe s LYS 68 CO 0.15 -0.19 1.01 -0.89 0.00 0.00 0.00 175.35 175.43 2rqe n ILE 69 N 1.58 0.00 0.00 3.79 2.08 -1.26 -1.55 119.36 124.00 2rqe n ILE 69 Ca -0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.12 2rqe n ILE 69 Cb 0.56 -0.27 0.00 0.00 -0.75 0.00 0.00 39.64 39.18 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 3.09 1.91 0.00 7.39 0.00 -1.11 -5.06 105.19 111.40 2rqe n GLY 70 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.31 -3.85 1.61 8.00 -0.60 -4.77 116.55 116.63 2rqe n ASP 71 Ca 0.00 -0.13 -0.09 0.00 0.71 0.00 0.00 54.79 55.28 2rqe n ASP 71 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 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 -0.86 1.50 -0.03 -1.24 1.02 -1.26 -2.66 119.74 116.20 2rqe s LYS 72 Ca 0.00 -1.01 -0.09 0.00 0.02 0.00 0.00 55.97 54.88 2rqe s LYS 72 Cb 0.00 0.52 0.01 0.00 -0.52 0.00 0.00 37.83 37.84 2rqe s LYS 72 CO 0.00 -0.64 0.21 0.42 -0.92 0.00 0.00 175.35 174.42 2rqe s ILE 73 N -3.93 0.05 -0.28 2.17 1.01 0.91 -3.48 121.20 117.66 2rqe s ILE 73 Ca 0.14 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.39 2rqe s ILE 73 Cb -0.02 -0.43 0.14 0.00 0.01 0.00 0.00 42.46 42.16 2rqe s ILE 73 CO 0.03 -0.22 0.33 -0.31 0.00 0.00 0.00 174.94 174.77 2rqe s TYR 74 N -0.83 -0.64 0.00 3.97 1.51 -1.26 -0.07 117.35 120.03 2rqe s TYR 74 Ca -0.09 0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.10 2rqe s TYR 74 Cb -0.05 -0.31 0.00 0.00 -0.11 0.00 0.00 41.96 41.49 2rqe s TYR 74 CO 0.02 -0.89 0.00 1.97 -1.11 0.00 0.00 175.55 175.54 2rqe n PHE 75 N 5.33 -0.11 -3.92 2.71 -1.74 -1.26 -4.08 117.46 114.40 2rqe n PHE 75 Ca -0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.78 2rqe n PHE 75 Cb 0.48 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.40 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 -3.61 0.28 0.15 2.97 1.48 -1.25 -3.16 118.94 115.79 2rqe s TRP 76 Ca 0.00 -0.70 0.05 0.00 -1.06 0.00 0.00 56.10 54.38 2rqe s TRP 76 Cb 0.00 -0.12 -0.04 0.00 -1.16 0.00 0.00 33.47 32.15 2rqe s TRP 76 CO 0.00 -0.56 -0.11 0.95 -4.06 0.00 0.00 176.95 173.17 2rqe s THR 77 N -3.90 1.23 0.06 0.66 -4.23 -1.25 -3.81 115.64 104.40 2rqe s THR 77 Ca 0.09 -2.05 0.08 0.00 -1.18 0.00 0.00 61.69 58.62 2rqe s THR 77 Cb 0.05 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 2rqe s THR 77 CO -0.08 -0.72 -0.22 0.12 -0.54 0.00 0.00 174.62 173.18 2rqe s PHE 78 N -3.23 1.93 0.24 3.99 5.36 -1.25 -1.86 117.98 123.15 2rqe s PHE 78 Ca 0.17 -0.39 -0.06 0.00 -0.96 0.00 0.00 56.93 55.68 2rqe s PHE 78 Cb 0.02 -1.12 -0.02 0.00 -0.34 0.00 0.00 43.02 41.55 2rqe s PHE 78 CO 0.01 0.14 0.32 0.14 -1.46 0.00 0.00 175.22 174.37 2rqe s VAL 79 N -0.88 0.00 -0.32 3.12 -7.23 0.20 -0.95 120.40 114.34 2rqe s VAL 79 Ca 0.08 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 2rqe s VAL 79 Cb -0.09 -2.37 0.15 0.00 0.56 0.00 0.00 36.38 34.62 2rqe s VAL 79 CO 0.03 0.00 0.37 -0.63 -0.31 0.00 0.00 175.10 174.55 2rqe s ILE 80 N -3.99 -0.46 -0.07 -0.62 1.01 -0.82 -2.32 121.20 113.92 2rqe s ILE 80 Ca 0.31 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.38 2rqe s ILE 80 Cb 0.03 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 2rqe s ILE 80 CO 0.12 -0.44 -0.12 -0.75 0.00 0.00 0.00 174.94 173.75 2rqe s LYS 81 N 2.05 2.77 -0.98 2.79 2.20 -1.26 0.75 119.74 128.06 2rqe s LYS 81 Ca 0.12 -0.65 -0.06 0.00 -0.36 0.00 0.00 55.97 55.02 2rqe s LYS 81 Cb -0.14 -2.50 0.05 0.00 -1.51 0.00 0.00 37.83 33.74 2rqe s LYS 81 CO -0.21 0.54 0.25 -3.47 -0.36 0.00 0.00 175.35 172.11 2rqe n ASP 82 N 2.56 -3.03 -2.88 1.43 2.03 -1.25 0.36 116.55 115.78 2rqe n ASP 82 Ca -0.18 -0.10 -0.21 0.00 0.52 0.00 0.00 54.79 54.83 2rqe n ASP 82 Cb 0.52 -2.58 0.01 0.00 -0.72 0.00 0.00 41.12 38.36 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 -0.91 -0.51 0.11 0.27 0.00 -1.26 -4.88 105.19 98.01 2rqe n GLY 83 Ca -0.04 0.08 -0.19 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 -3.58 1.92 -0.18 0.99 4.77 0.16 -5.12 117.00 115.96 2rqe n LEU 84 Ca -0.12 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2rqe n LEU 84 Cb 0.62 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2rqe n LEU 84 CO 0.40 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2rqe n GLY 85 N 1.38 -0.35 3.12 -0.72 0.00 -1.25 -4.96 105.19 102.42 2rqe n GLY 85 Ca -0.34 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 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 0.26 -0.18 1.61 2.02 -0.98 -4.96 117.35 115.12 2rqe s TYR 86 Ca 0.00 -0.64 -0.12 0.00 -0.37 0.00 0.00 57.07 55.94 2rqe s TYR 86 Cb 0.00 -0.18 0.05 0.00 -0.40 0.00 0.00 41.96 41.43 2rqe s TYR 86 CO 0.00 -0.40 0.45 0.50 -1.57 0.00 0.00 175.55 174.53 2rqe s ARG 87 N -3.10 0.47 0.52 -0.62 3.00 -1.26 -0.63 118.95 117.33 2rqe s ARG 87 Ca -0.01 0.76 -0.16 0.00 -1.00 0.00 0.00 55.73 55.33 2rqe s ARG 87 Cb 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 34.95 34.98 2rqe s ARG 87 CO -0.07 -0.12 0.99 -1.14 0.00 0.00 0.00 175.30 174.95 2rqe s GLN 88 N 0.99 3.91 0.00 5.12 2.00 -0.78 -4.66 119.66 126.25 2rqe s GLN 88 Ca -0.06 0.93 0.00 0.00 -2.00 0.00 0.00 55.36 54.23 2rqe s GLN 88 Cb -0.06 -2.13 0.00 0.00 0.80 0.00 0.00 33.01 31.61 2rqe s GLN 88 CO -0.08 -0.29 0.00 -0.40 -0.50 0.00 0.00 175.29 174.01 2rqe n ASP 89 N -1.69 0.15 0.00 6.67 5.75 -1.26 -3.80 116.55 122.37 2rqe n ASP 89 Ca 0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 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 -0.22 0.00 -3.48 -1.12 2.85 -1.26 -4.69 115.26 107.33 2rqe n ASN 90 Ca 0.00 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.12 2rqe n ASN 90 Cb 0.00 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.05 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 -0.11 3.17 8.20 0.00 -1.19 -4.89 105.19 110.37 2rqe n GLY 91 Ca 0.00 1.11 0.05 0.00 0.00 0.00 0.00 46.02 47.18 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 -2.73 0.24 -0.19 1.61 2.12 -1.17 -4.36 118.70 114.21 2rqe s GLU 92 Ca 0.33 0.43 -0.07 0.00 0.36 0.00 0.00 54.97 56.03 2rqe s GLU 92 Cb -0.04 0.24 0.09 0.00 0.26 0.00 0.00 34.13 34.68 2rqe s GLU 92 CO 0.87 -0.24 0.41 -1.58 -0.54 0.00 0.00 175.26 174.17 2rqe s TRP 93 N 2.90 -0.76 -0.11 5.30 0.51 0.90 -4.96 118.94 122.72 2rqe s TRP 93 Ca 0.01 1.48 -0.19 0.00 -2.12 0.00 0.00 56.10 55.28 2rqe s TRP 93 Cb -0.10 0.28 -0.04 0.00 -0.81 0.00 0.00 33.47 32.79 2rqe s TRP 93 CO -0.13 -0.47 0.50 0.99 -0.51 0.00 0.00 176.95 177.34 2rqe s THR 94 N 2.59 5.16 -0.23 2.01 2.01 -1.26 -0.06 115.64 125.86 2rqe s THR 94 Ca -0.02 1.01 -0.28 0.00 0.31 0.00 0.00 61.69 62.71 2rqe s THR 94 Cb -0.12 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2rqe s THR 94 CO -0.12 0.33 2.14 -0.69 -0.69 0.00 0.00 174.62 175.59 2rqe s VAL 95 N 0.57 3.09 0.00 3.82 1.01 -1.09 -4.76 120.40 123.04 2rqe s VAL 95 Ca 0.27 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2rqe s VAL 95 Cb -0.15 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2rqe s VAL 95 CO 0.11 -0.07 0.67 -0.62 0.00 0.00 0.00 175.10 175.20 2rqe n GLU 96 N 8.65 1.20 -4.77 2.72 1.02 -1.26 -2.77 120.64 125.43 2rqe n GLU 96 Ca 0.28 -0.90 -0.33 0.00 -0.02 0.00 0.00 57.16 56.19 2rqe n GLU 96 Cb 0.45 -0.80 -0.07 0.00 -0.02 0.00 0.00 31.44 31.00 2rqe n GLU 96 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2rqe s GLY 97 N -0.45 3.07 0.02 0.62 0.00 -1.26 -5.05 107.32 104.26 2rqe s GLY 97 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 44.72 44.33 2rqe s GLY 97 CO 0.00 -2.20 0.37 -0.12 0.00 0.00 0.00 173.10 171.15 2rqe s PHE 98 N -2.90 -0.22 0.37 1.90 5.36 -1.26 -3.53 117.98 117.70 2rqe s PHE 98 Ca 0.03 0.22 -0.16 0.00 -0.96 0.00 0.00 56.93 56.07 2rqe s PHE 98 Cb 0.01 0.16 0.05 0.00 -0.34 0.00 0.00 43.02 42.90 2rqe s PHE 98 CO 0.02 -0.51 0.78 0.14 -1.46 0.00 0.00 175.22 174.19 2rqe s VAL 99 N -2.11 0.00 -0.10 3.12 -7.23 -1.14 -4.65 120.40 108.28 2rqe s VAL 99 Ca -0.08 -1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.04 2rqe s VAL 99 Cb -0.02 -2.78 0.05 0.00 0.56 0.00 0.00 36.38 34.19 2rqe s VAL 99 CO -0.00 0.00 0.23 -1.81 -0.31 0.00 0.00 175.10 173.21 2rqe s ASP 100 N -3.05 -0.02 -0.87 4.85 1.01 -1.26 -4.19 116.67 113.13 2rqe s ASP 100 Ca 0.15 0.50 -0.08 0.00 0.71 0.00 0.00 52.55 53.83 2rqe s ASP 100 Cb -0.05 0.44 -0.16 0.00 1.01 0.00 0.00 42.92 44.16 2rqe s ASP 100 CO 0.11 -0.19 3.25 1.21 0.21 0.00 0.00 175.17 179.76 2rqe n GLU 101 N 4.58 2.94 0.00 8.23 2.13 -1.26 -5.08 120.64 132.18 2rqe n GLU 101 Ca -0.19 -1.69 0.00 0.00 0.66 0.00 0.00 57.16 55.94 2rqe n GLU 101 Cb 0.52 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.80 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72