#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 0.58 -0.69 2.98 1.02 -1.26 -5.00 120.64 118.27 2rqe n GLU 2 Ca 0.00 -3.14 0.00 0.00 -0.02 0.00 0.00 57.16 54.00 2rqe n GLU 2 Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.79 -1.41 -1.18 0.62 0.00 -1.26 -3.70 120.51 115.36 2rqe n ALA 3 Ca 0.23 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.58 2rqe n ALA 3 Cb 0.52 -0.91 0.16 0.00 0.00 0.00 0.00 19.45 19.22 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 -4.81 0.77 0.24 0.00 0.04 -1.26 -4.86 135.00 125.11 2rqe s PRO 4 Ca 0.00 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 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 -2.53 1.28 -1.25 0.04 0.00 0.00 177.00 174.53 2rqe s PRO 5 N -4.95 4.42 0.02 0.56 0.04 -1.26 -4.96 135.00 128.87 2rqe s PRO 5 Ca 0.65 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.54 2rqe s PRO 5 Cb -0.18 -3.17 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 2rqe s PRO 5 CO 0.57 -0.17 0.56 0.00 0.04 0.00 0.00 177.00 178.00 2rqe s ALA 6 N -0.33 3.55 -1.16 8.56 0.00 -1.26 -4.58 121.76 126.54 2rqe s ALA 6 Ca 0.53 -0.01 -0.09 0.00 0.00 0.00 0.00 51.96 52.39 2rqe s ALA 6 Cb -0.36 -2.66 0.24 0.00 0.00 0.00 0.00 23.12 20.34 2rqe s ALA 6 CO 0.42 0.28 1.36 2.41 0.00 0.00 0.00 175.76 180.23 2rqe n THR 7 N 2.27 4.60 -2.38 0.00 -1.04 0.15 -4.99 114.28 112.90 2rqe n THR 7 Ca -0.09 -5.20 -0.43 0.00 -2.04 0.00 0.00 64.05 56.30 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 -0.65 3.53 0.00 -4.42 1.02 -1.26 -3.08 118.68 113.81 2rqe s LEU 8 Ca 0.35 0.62 -0.04 0.00 0.02 0.00 0.00 54.13 55.08 2rqe s LEU 8 Cb -0.03 -3.38 0.06 0.00 0.02 0.00 0.00 46.19 42.86 2rqe s LEU 8 CO -0.01 -1.52 0.35 -0.62 0.02 0.00 0.00 176.35 174.56 2rqe n GLU 9 N 8.26 -0.35 -3.66 1.70 -0.58 0.82 -4.77 120.64 122.06 2rqe n GLU 9 Ca 0.15 -0.53 -0.28 0.00 -0.42 0.00 0.00 57.16 56.08 2rqe n GLU 9 Cb 0.48 -0.36 -0.11 0.00 -0.57 0.00 0.00 31.44 30.89 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 -3.99 2.63 1.04 0.62 0.00 -1.25 -4.45 121.76 116.37 2rqe s ALA 10 Ca 0.20 -3.15 -0.14 0.00 0.00 0.00 0.00 51.96 48.87 2rqe s ALA 10 Cb -0.01 -1.89 0.21 0.00 0.00 0.00 0.00 23.12 21.43 2rqe s ALA 10 CO 0.14 -2.04 1.11 0.42 0.00 0.00 0.00 175.76 175.39 2rqe s ILE 11 N -0.68 1.90 1.16 0.00 -1.09 -1.26 -2.33 121.20 118.91 2rqe s ILE 11 Ca 0.28 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.53 2rqe s ILE 11 Cb -0.02 -2.55 0.19 0.00 -1.58 0.00 0.00 42.46 38.50 2rqe s ILE 11 CO -0.17 0.00 0.35 1.41 -1.23 0.00 0.00 174.94 175.29 2rqe n HIS 12 N -4.26 -1.82 0.49 3.97 8.25 -1.22 -4.65 115.22 115.98 2rqe n HIS 12 Ca 0.08 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2rqe n HIS 12 Cb 0.58 -1.53 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 -3.06 0.49 -0.34 -0.41 -0.04 -1.26 -2.35 135.00 128.03 2rqe n PRO 13 Ca 0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 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 0.28 0.97 -2.70 0.54 2.85 -1.25 -4.19 118.16 114.66 2rqe n LYS 14 Ca 0.00 -2.32 0.00 0.00 -1.05 0.00 0.00 58.31 54.94 2rqe n LYS 14 Cb 0.13 -1.21 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 -0.95 -1.39 3.29 2.58 0.00 -0.15 -4.09 105.19 104.47 2rqe n GLY 15 Ca 0.12 -1.51 -0.09 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 0.94 -0.03 0.99 2.96 -1.21 -4.10 118.68 118.24 2rqe s LEU 16 Ca 0.00 -0.61 0.05 0.00 -0.22 0.00 0.00 54.13 53.35 2rqe s LEU 16 Cb 0.00 1.36 -0.01 0.00 0.50 0.00 0.00 46.19 48.04 2rqe s LEU 16 CO 0.00 -0.83 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.42 2rqe s ARG 17 N -3.88 1.68 -0.21 1.98 3.52 -1.26 -0.02 118.95 120.76 2rqe s ARG 17 Ca 0.08 -0.65 -0.04 0.00 -0.13 0.00 0.00 55.73 54.99 2rqe s ARG 17 Cb 0.03 -1.53 0.11 0.00 -1.56 0.00 0.00 34.95 31.99 2rqe s ARG 17 CO -0.08 0.33 0.29 0.08 -0.81 0.00 0.00 175.30 175.11 2rqe s VAL 18 N -0.23 -0.44 0.19 7.11 1.01 -0.16 -0.13 120.40 127.76 2rqe s VAL 18 Ca 0.02 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.05 2rqe s VAL 18 Cb -0.09 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2rqe s VAL 18 CO 0.01 -0.15 -0.24 -0.55 0.00 0.00 0.00 175.10 174.17 2rqe s SER 19 N 2.42 3.39 0.03 3.32 0.15 -1.18 -0.28 113.70 121.55 2rqe s SER 19 Ca 0.09 -0.87 -0.03 0.00 0.70 0.00 0.00 55.95 55.84 2rqe s SER 19 Cb -0.15 -0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 63.89 2rqe s SER 19 CO -0.13 0.11 0.03 0.68 1.20 0.00 0.00 173.24 175.13 2rqe s VAL 20 N -1.69 0.13 -0.05 4.45 -7.23 -0.82 -0.67 120.40 114.51 2rqe s VAL 20 Ca 0.20 -1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 59.02 2rqe s VAL 20 Cb -0.08 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.19 2rqe s VAL 20 CO 0.10 -0.58 1.49 -2.16 -0.31 0.00 0.00 175.10 173.63 2rqe s PRO 21 N -2.09 4.23 -0.50 4.82 0.04 -1.26 -2.24 135.00 137.99 2rqe s PRO 21 Ca -0.10 2.02 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 2rqe s PRO 21 Cb -0.05 -3.78 0.02 0.00 0.04 0.00 0.00 34.50 30.73 2rqe s PRO 21 CO -0.03 -0.72 1.34 0.34 0.04 0.00 0.00 177.00 177.97 2rqe s ASP 22 N 2.51 6.31 -0.34 6.66 -1.08 -1.26 -4.87 116.67 124.60 2rqe s ASP 22 Ca 0.66 0.46 0.03 0.00 -0.52 0.00 0.00 52.55 53.18 2rqe s ASP 22 Cb -0.31 -2.55 0.51 0.00 -1.46 0.00 0.00 42.92 39.12 2rqe s ASP 22 CO 0.26 -1.52 1.70 -0.62 0.52 0.00 0.00 175.17 175.50 2rqe n GLU 23 N 8.32 1.95 -0.29 4.34 -0.58 -1.26 -4.76 120.64 128.36 2rqe n GLU 23 Ca 0.13 -2.29 0.00 0.00 -0.42 0.00 0.00 57.16 54.58 2rqe n GLU 23 Cb 0.49 -1.90 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 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 -0.75 0.90 3.66 0.62 0.00 -1.26 -4.98 105.19 103.38 2rqe n GLY 24 Ca 0.46 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 2.04 0.00 1.61 0.08 -1.26 -4.16 117.98 114.29 2rqe s PHE 25 Ca 0.00 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.19 2rqe s PHE 25 Cb 0.00 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 2rqe s PHE 25 CO 0.00 -2.87 0.04 0.45 -0.10 0.00 0.00 175.22 172.74 2rqe n SER 26 N -4.20 0.08 -3.66 1.36 2.88 0.11 -4.91 113.62 105.30 2rqe n SER 26 Ca 0.06 -0.39 -0.14 0.00 -1.33 0.00 0.00 58.87 57.07 2rqe n SER 26 Cb 0.56 0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 64.41 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 -0.94 -0.17 0.02 2.46 1.98 -1.23 -4.52 118.68 116.29 2rqe s LEU 27 Ca 0.00 0.95 0.00 0.00 -2.89 0.00 0.00 54.13 52.19 2rqe s LEU 27 Cb 0.00 2.00 -0.02 0.00 0.66 0.00 0.00 46.19 48.83 2rqe s LEU 27 CO 0.00 -0.31 -0.03 0.12 -1.89 0.00 0.00 176.35 174.24 2rqe s PHE 28 N -0.17 0.25 -0.01 5.38 2.19 0.35 -1.91 117.98 124.06 2rqe s PHE 28 Ca -0.04 -0.44 0.00 0.00 0.33 0.00 0.00 56.93 56.78 2rqe s PHE 28 Cb -0.03 -0.18 0.01 0.00 -1.31 0.00 0.00 43.02 41.51 2rqe s PHE 28 CO 0.03 -0.15 -0.00 0.00 1.83 0.00 0.00 175.22 176.92 2rqe s ALA 29 N -1.22 0.13 -0.18 11.12 0.00 -0.08 0.14 121.76 131.66 2rqe s ALA 29 Ca -0.13 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2rqe s ALA 29 Cb -0.08 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2rqe s ALA 29 CO -0.01 -0.01 -0.17 -0.06 0.00 0.00 0.00 175.76 175.51 2rqe s PHE 30 N 0.33 2.80 -0.36 0.00 0.40 -0.20 -2.76 117.98 118.20 2rqe s PHE 30 Ca -0.03 -1.49 0.03 0.00 -0.60 0.00 0.00 56.93 54.84 2rqe s PHE 30 Cb -0.05 -1.94 0.15 0.00 0.51 0.00 0.00 43.02 41.69 2rqe s PHE 30 CO -0.01 -0.74 0.38 -1.01 0.70 0.00 0.00 175.22 174.54 2rqe s HIS 31 N 1.27 -0.44 0.25 0.36 3.76 -1.26 -1.90 115.29 117.34 2rqe s HIS 31 Ca 0.04 -0.62 -0.04 0.00 -0.15 0.00 0.00 55.06 54.28 2rqe s HIS 31 Cb -0.13 -0.36 -0.02 0.00 1.11 0.00 0.00 32.58 33.17 2rqe s HIS 31 CO -0.10 -0.98 0.31 0.20 -0.85 0.00 0.00 174.74 173.32 2rqe s GLY 32 N 1.63 1.23 0.00 -2.22 0.00 -1.25 -3.82 107.32 102.88 2rqe s GLY 32 Ca 0.16 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.44 2rqe s GLY 32 CO -0.09 -1.09 0.00 0.28 0.00 0.00 0.00 173.10 172.20 2rqe n LYS 33 N -0.38 1.64 -4.12 2.90 5.02 -1.26 -1.85 118.16 120.10 2rqe n LYS 33 Ca 0.01 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.15 2rqe n LYS 33 Cb 0.64 0.00 -0.14 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 2.07 -1.42 -0.35 2.96 -1.26 -4.13 118.68 116.55 2rqe s LEU 34 Ca 0.00 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 2rqe s LEU 34 Cb 0.00 -0.23 0.00 0.00 0.50 0.00 0.00 46.19 46.46 2rqe s LEU 34 CO 0.00 -0.01 0.00 0.59 -1.32 0.00 0.00 176.35 175.61 2rqe n ASN 35 N 2.59 -4.25 -3.63 3.68 3.02 -1.16 -4.89 115.26 110.62 2rqe n ASN 35 Ca -0.15 0.24 -0.10 0.00 -0.03 0.00 0.00 54.58 54.54 2rqe n ASN 35 Cb 0.57 -3.72 -0.07 0.00 -0.61 0.00 0.00 39.78 35.95 2rqe n ASN 35 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2rqe s GLU 36 N -4.22 0.54 0.27 3.52 2.12 -1.26 -5.12 118.70 114.56 2rqe s GLU 36 Ca 0.00 0.57 0.10 0.00 0.36 0.00 0.00 54.97 55.99 2rqe s GLU 36 Cb 0.00 0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 2rqe s GLU 36 CO 0.00 -0.08 -0.01 -1.83 -0.54 0.00 0.00 175.26 172.80 2rqe s GLU 37 N 0.07 2.24 0.22 4.30 -1.05 -1.26 -4.27 118.70 118.95 2rqe s GLU 37 Ca 0.02 -1.47 0.02 0.00 -0.15 0.00 0.00 54.97 53.40 2rqe s GLU 37 Cb -0.04 -2.12 0.02 0.00 -0.44 0.00 0.00 34.13 31.55 2rqe s GLU 37 CO -0.05 0.34 0.19 0.00 0.95 0.00 0.00 175.26 176.69 2rqe n MET 38 N -0.89 1.11 -4.61 -4.83 0.00 -1.26 -5.09 117.12 101.56 2rqe n MET 38 Ca -0.06 -1.35 -0.30 0.00 0.00 0.00 0.00 57.70 55.99 2rqe n MET 38 Cb 0.59 0.11 -0.13 0.00 0.00 0.00 0.00 33.22 33.79 2rqe n MET 38 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2rqe s GLU 39 N -2.92 1.95 1.98 3.17 2.12 -1.26 -4.97 118.70 118.77 2rqe s GLU 39 Ca 0.14 -1.05 0.00 0.00 0.36 0.00 0.00 54.97 54.42 2rqe s GLU 39 Cb -0.01 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2rqe s GLU 39 CO 0.09 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 2rqe n GLY 40 N 1.40 0.40 3.11 -1.50 0.00 -1.26 -3.61 105.19 103.73 2rqe n GLY 40 Ca -0.16 0.64 0.01 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.38 0.40 0.99 2.34 -1.26 -5.02 118.68 114.75 2rqe s LEU 41 Ca 0.00 -0.80 0.04 0.00 0.06 0.00 0.00 54.13 53.42 2rqe s LEU 41 Cb 0.00 1.78 -0.04 0.00 -0.56 0.00 0.00 46.19 47.36 2rqe s LEU 41 CO 0.00 -0.14 0.07 -1.83 -1.06 0.00 0.00 176.35 173.38 2rqe s GLU 42 N 1.75 1.89 -0.60 1.48 -1.05 -1.24 -5.10 118.70 115.84 2rqe s GLU 42 Ca 0.17 -2.12 -0.24 0.00 -0.15 0.00 0.00 54.97 52.64 2rqe s GLU 42 Cb -0.03 -1.01 0.05 0.00 -0.44 0.00 0.00 34.13 32.71 2rqe s GLU 42 CO -0.08 -0.30 0.95 0.00 0.95 0.00 0.00 175.26 176.78 2rqe s ALA 43 N -3.11 3.13 0.00 -0.84 0.00 -1.26 -4.90 121.76 114.77 2rqe s ALA 43 Ca 0.26 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.74 2rqe s ALA 43 Cb 0.05 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2rqe s ALA 43 CO 0.13 -2.55 0.00 0.41 0.00 0.00 0.00 175.76 173.75 2rqe n GLY 44 N 5.21 -1.30 0.12 0.00 0.00 -1.26 -4.97 105.19 102.99 2rqe n GLY 44 Ca -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.09 1.61 -0.00 -1.16 -4.97 115.22 108.61 2rqe n HIS 45 Ca 0.00 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.81 2rqe n HIS 45 Cb 0.00 -0.31 0.01 0.00 -0.12 0.00 0.00 29.99 29.57 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 -2.24 2.64 -0.19 1.57 0.51 -0.77 -4.95 118.94 115.50 2rqe s TRP 46 Ca -0.18 1.49 -0.04 0.00 -2.12 0.00 0.00 56.10 55.24 2rqe s TRP 46 Cb 0.03 -3.51 0.09 0.00 -0.81 0.00 0.00 33.47 29.27 2rqe s TRP 46 CO 0.27 -2.00 0.25 -1.54 -0.51 0.00 0.00 176.95 173.42 2rqe s SER 47 N -1.28 0.96 0.16 2.95 1.04 -1.25 -3.86 113.70 112.42 2rqe s SER 47 Ca 0.68 0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.97 2rqe s SER 47 Cb -0.32 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.40 2rqe s SER 47 CO 0.38 -0.30 0.47 -0.60 0.98 0.00 0.00 173.24 174.17 2rqe s ARG 48 N 2.38 1.23 -0.12 4.02 3.00 -0.80 -5.01 118.95 123.65 2rqe s ARG 48 Ca 0.07 -0.76 -0.04 0.00 -1.00 0.00 0.00 55.73 54.00 2rqe s ARG 48 Cb -0.15 0.50 0.06 0.00 0.00 0.00 0.00 34.95 35.37 2rqe s ARG 48 CO -0.12 -0.51 0.20 0.34 0.00 0.00 0.00 175.30 175.21 2rqe s ASP 49 N -2.83 0.86 -0.45 -2.12 -1.08 -1.26 -1.03 116.67 108.76 2rqe s ASP 49 Ca 0.06 0.23 -0.16 0.00 -0.52 0.00 0.00 52.55 52.16 2rqe s ASP 49 Cb 0.00 0.38 0.05 0.00 -1.46 0.00 0.00 42.92 41.89 2rqe s ASP 49 CO -0.08 -0.27 0.40 -0.63 0.52 0.00 0.00 175.17 175.11 2rqe s ILE 50 N 2.33 5.18 -0.49 4.11 -1.09 0.37 -4.93 121.20 126.68 2rqe s ILE 50 Ca 0.04 -0.80 0.03 0.00 -2.23 0.00 0.00 60.65 57.68 2rqe s ILE 50 Cb -0.13 -4.08 0.61 0.00 -1.58 0.00 0.00 42.46 37.28 2rqe s ILE 50 CO -0.08 -0.51 1.91 0.35 -1.23 0.00 0.00 174.94 175.38 2rqe n THR 51 N 5.26 3.26 0.00 2.92 -2.24 -1.26 0.13 114.28 122.35 2rqe n THR 51 Ca -0.11 -2.23 0.00 0.00 -2.27 0.00 0.00 64.05 59.44 2rqe n THR 51 Cb 0.45 -0.63 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 -1.09 0.00 -0.60 -0.78 5.02 -1.26 -4.85 118.16 114.60 2rqe n LYS 52 Ca 0.59 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.71 2rqe n LYS 52 Cb 1.40 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 36.55 2rqe n LYS 52 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2rqe n PRO 53 N -0.46 -2.25 -0.21 1.97 -0.04 -1.26 -4.98 135.00 127.77 2rqe n PRO 53 Ca 0.00 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 2rqe n PRO 53 Cb 0.00 -0.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 -3.43 0.00 -0.90 0.54 0.00 -1.21 -4.92 118.16 108.24 2rqe n LYS 54 Ca 0.09 -0.32 -0.00 0.00 -0.00 0.00 0.00 58.31 58.08 2rqe n LYS 54 Cb 0.34 -0.22 0.00 0.00 -0.00 0.00 0.00 35.03 35.15 2rqe n LYS 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2rqe n ASN 55 N 0.00 -0.04 0.00 -5.58 2.85 -1.26 -4.95 115.26 106.28 2rqe n ASN 55 Ca 0.00 -0.43 0.00 0.00 -0.11 0.00 0.00 54.58 54.04 2rqe n ASN 55 Cb 0.54 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.57 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 -0.02 2.80 3.24 8.20 0.00 -1.26 -4.98 105.19 113.17 2rqe n GLY 56 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.40 1.20 -0.82 1.61 3.00 -1.26 -4.15 118.95 118.14 2rqe s ARG 57 Ca 0.00 -1.62 -0.18 0.00 0.00 0.00 0.00 55.73 53.93 2rqe s ARG 57 Cb 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 34.95 35.01 2rqe s ARG 57 CO 0.00 -0.26 0.96 -1.58 0.00 0.00 0.00 175.30 174.41 2rqe s TRP 58 N -3.86 3.19 -0.06 -0.53 0.52 -0.95 -3.33 118.94 113.92 2rqe s TRP 58 Ca 0.32 -1.36 -0.12 0.00 0.02 0.00 0.00 56.10 54.95 2rqe s TRP 58 Cb 0.07 -4.13 -0.05 0.00 -1.15 0.00 0.00 33.47 28.21 2rqe s TRP 58 CO 0.09 -1.36 0.31 0.42 0.02 0.00 0.00 176.95 176.42 2rqe s ILE 59 N 2.27 5.22 0.08 2.03 1.01 -1.26 -1.94 121.20 128.61 2rqe s ILE 59 Ca 0.25 0.61 0.07 0.00 0.00 0.00 0.00 60.65 61.57 2rqe s ILE 59 Cb -0.11 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2rqe s ILE 59 CO -0.05 0.56 -0.19 0.12 0.00 0.00 0.00 174.94 175.39 2rqe s PHE 60 N -0.82 1.61 -0.04 3.97 2.19 0.62 -4.96 117.98 120.54 2rqe s PHE 60 Ca 0.20 -0.41 -0.03 0.00 0.33 0.00 0.00 56.93 57.02 2rqe s PHE 60 Cb -0.15 -0.90 0.02 0.00 -1.31 0.00 0.00 43.02 40.68 2rqe s PHE 60 CO 0.09 0.14 0.10 1.03 1.83 0.00 0.00 175.22 178.41 2rqe s ARG 61 N -1.67 0.08 0.51 10.12 3.00 -1.26 -0.98 118.95 128.75 2rqe s ARG 61 Ca 0.04 0.22 0.04 0.00 0.00 0.00 0.00 55.73 56.04 2rqe s ARG 61 Cb -0.10 -0.07 0.01 0.00 0.00 0.00 0.00 34.95 34.79 2rqe s ARG 61 CO 0.03 -0.09 0.24 0.34 0.00 0.00 0.00 175.30 175.82 2rqe s ASP 62 N 0.59 4.44 0.00 0.23 2.15 0.97 -4.94 116.67 120.11 2rqe s ASP 62 Ca -0.05 -1.35 0.00 0.00 0.43 0.00 0.00 52.55 51.58 2rqe s ASP 62 Cb -0.06 0.32 0.00 0.00 -0.30 0.00 0.00 42.92 42.87 2rqe s ASP 62 CO -0.02 -0.94 0.51 -2.11 -0.17 0.00 0.00 175.17 172.44 2rqe n ARG 63 N -1.52 0.00 0.00 4.34 1.85 -1.26 -3.30 116.66 116.77 2rqe n ARG 63 Ca -0.07 -0.49 0.00 0.00 -1.00 0.00 0.00 57.85 56.29 2rqe n ARG 63 Cb 0.65 -0.40 0.00 0.00 -1.05 0.00 0.00 32.46 31.66 2rqe n ARG 63 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2rqe n ASN 64 N 0.00 1.05 -4.41 2.89 3.02 -1.26 -4.32 115.26 112.24 2rqe n ASN 64 Ca 0.00 -1.38 -0.44 0.00 -0.03 0.00 0.00 54.58 52.72 2rqe n ASN 64 Cb 0.53 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.65 2rqe n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rqe s ALA 65 N -0.38 3.37 -0.93 5.41 0.00 -1.26 -4.83 121.76 123.14 2rqe s ALA 65 Ca 0.00 -2.01 -0.12 0.00 0.00 0.00 0.00 51.96 49.82 2rqe s ALA 65 Cb 0.00 -3.50 0.24 0.00 0.00 0.00 0.00 23.12 19.86 2rqe s ALA 65 CO 0.00 -2.28 0.89 0.00 0.00 0.00 0.00 175.76 174.37 2rqe s ALA 66 N 2.82 4.31 0.24 0.00 0.00 -1.26 -0.98 121.76 126.88 2rqe s ALA 66 Ca 0.14 -3.50 0.01 0.00 0.00 0.00 0.00 51.96 48.60 2rqe s ALA 66 Cb -0.22 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 2rqe s ALA 66 CO 0.09 -2.26 0.13 -0.48 0.00 0.00 0.00 175.76 173.24 2rqe s LEU 67 N -0.32 1.41 0.10 0.00 -0.00 -1.26 -4.95 118.68 113.66 2rqe s LEU 67 Ca 0.22 -1.42 -0.18 0.00 -0.00 0.00 0.00 54.13 52.75 2rqe s LEU 67 Cb -0.10 0.23 0.04 0.00 -0.00 0.00 0.00 46.19 46.36 2rqe s LEU 67 CO -0.09 -0.81 0.45 -1.59 -0.00 0.00 0.00 176.35 174.31 2rqe s LYS 68 N -4.05 1.07 -0.15 1.48 0.00 -1.26 -4.15 119.74 112.67 2rqe s LYS 68 Ca 0.38 -0.55 -0.24 0.00 0.00 0.00 0.00 55.97 55.56 2rqe s LYS 68 Cb 0.07 0.48 -0.11 0.00 0.00 0.00 0.00 37.83 38.27 2rqe s LYS 68 CO 0.14 -0.41 0.75 -0.89 0.00 0.00 0.00 175.35 174.93 2rqe n ILE 69 N -0.03 0.00 0.00 3.79 2.08 -1.26 -1.64 119.36 122.29 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 -0.15 0.00 0.00 -0.75 0.00 0.00 39.64 39.37 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 1.58 0.79 0.57 7.39 0.00 -1.08 -5.04 105.19 109.39 2rqe n GLY 70 Ca 0.14 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.99 -3.75 1.61 9.92 -0.65 -4.68 116.55 117.00 2rqe n ASP 71 Ca 0.00 -0.30 -0.10 0.00 -0.53 0.00 0.00 54.79 53.86 2rqe n ASP 71 Cb 0.00 -0.17 -0.06 0.00 -0.64 0.00 0.00 41.12 40.25 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 -3.38 0.93 0.04 -1.24 3.01 -1.26 -1.78 119.74 116.06 2rqe s LYS 72 Ca 0.12 -0.80 0.03 0.00 -1.01 0.00 0.00 55.97 54.32 2rqe s LYS 72 Cb -0.02 0.39 -0.02 0.00 -1.01 0.00 0.00 37.83 37.17 2rqe s LYS 72 CO 0.10 -0.33 -0.11 0.42 0.51 0.00 0.00 175.35 175.94 2rqe s ILE 73 N -3.65 0.81 -0.27 2.17 1.01 0.17 -2.96 121.20 118.48 2rqe s ILE 73 Ca 0.03 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 2rqe s ILE 73 Cb 0.03 -0.79 0.14 0.00 0.01 0.00 0.00 42.46 41.85 2rqe s ILE 73 CO -0.10 -0.17 0.33 -0.31 0.00 0.00 0.00 174.94 174.69 2rqe s TYR 74 N -1.03 -0.65 0.00 3.97 1.51 -1.26 0.09 117.35 119.98 2rqe s TYR 74 Ca -0.03 0.19 0.00 0.00 -1.01 0.00 0.00 57.07 56.22 2rqe s TYR 74 Cb -0.08 -0.28 0.00 0.00 -0.11 0.00 0.00 41.96 41.49 2rqe s TYR 74 CO 0.01 -0.86 0.00 1.97 -1.11 0.00 0.00 175.55 175.56 2rqe n PHE 75 N 5.33 -0.13 -3.74 2.71 -1.74 -1.26 -4.17 117.46 114.47 2rqe n PHE 75 Ca -0.02 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.73 2rqe n PHE 75 Cb 0.48 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.39 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 -3.66 -0.33 0.13 2.97 -2.14 -1.25 -2.98 118.94 111.69 2rqe s TRP 76 Ca 0.00 0.70 0.08 0.00 2.66 0.00 0.00 56.10 59.54 2rqe s TRP 76 Cb 0.00 0.14 -0.04 0.00 -3.10 0.00 0.00 33.47 30.47 2rqe s TRP 76 CO 0.00 -0.31 -0.08 0.95 -2.66 0.00 0.00 176.95 174.85 2rqe s THR 77 N -0.54 3.40 0.05 0.66 -4.23 -1.26 -4.10 115.64 109.62 2rqe s THR 77 Ca -0.07 -1.39 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 2rqe s THR 77 Cb -0.04 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 2rqe s THR 77 CO 0.03 0.02 -0.25 0.12 -0.54 0.00 0.00 174.62 174.00 2rqe s PHE 78 N -1.42 2.37 0.25 3.99 5.36 -1.11 -1.44 117.98 125.99 2rqe s PHE 78 Ca 0.23 -0.38 -0.03 0.00 -0.96 0.00 0.00 56.93 55.80 2rqe s PHE 78 Cb -0.10 -1.40 -0.02 0.00 -0.34 0.00 0.00 43.02 41.16 2rqe s PHE 78 CO 0.15 0.17 0.30 0.14 -1.46 0.00 0.00 175.22 174.52 2rqe s VAL 79 N -0.85 0.00 -0.32 3.12 -7.23 0.47 -0.91 120.40 114.68 2rqe s VAL 79 Ca 0.13 -1.77 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2rqe s VAL 79 Cb -0.10 -2.45 0.15 0.00 0.56 0.00 0.00 36.38 34.54 2rqe s VAL 79 CO 0.03 0.00 0.34 -0.63 -0.31 0.00 0.00 175.10 174.53 2rqe s ILE 80 N -3.84 -0.40 -0.07 -0.62 1.01 -0.80 -2.12 121.20 114.36 2rqe s ILE 80 Ca 0.33 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.35 2rqe s ILE 80 Cb 0.03 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 2rqe s ILE 80 CO 0.15 -0.49 -0.13 -0.75 0.00 0.00 0.00 174.94 173.72 2rqe s LYS 81 N 2.02 2.69 -1.64 2.79 2.20 -1.26 0.08 119.74 126.61 2rqe s LYS 81 Ca 0.12 -0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 54.87 2rqe s LYS 81 Cb -0.14 -2.46 0.18 0.00 -1.51 0.00 0.00 37.83 33.90 2rqe s LYS 81 CO -0.21 0.56 0.61 -0.25 -0.36 0.00 0.00 175.35 175.71 2rqe n ASP 82 N 2.50 -2.43 -3.66 1.43 8.00 -1.26 0.75 116.55 121.88 2rqe n ASP 82 Ca -0.17 -0.97 -0.28 0.00 0.71 0.00 0.00 54.79 54.08 2rqe n ASP 82 Cb 0.52 -2.06 0.01 0.00 -0.02 0.00 0.00 41.12 39.57 2rqe n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rqe n GLY 83 N -1.14 -0.49 0.15 0.44 0.00 -1.26 -4.87 105.19 98.02 2rqe n GLY 83 Ca 0.09 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.25 1.90 -0.42 0.99 4.77 0.23 -5.12 117.00 115.10 2rqe n LEU 84 Ca 0.01 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2rqe n LEU 84 Cb 0.54 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2rqe n LEU 84 CO 0.65 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 2rqe n GLY 85 N 1.37 -0.64 3.46 -0.72 0.00 -1.25 -4.96 105.19 102.46 2rqe n GLY 85 Ca -0.41 -0.77 -0.22 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 2.06 -0.29 1.61 2.02 -0.90 -4.97 117.35 116.88 2rqe s TYR 86 Ca 0.00 -0.71 -0.22 0.00 -0.37 0.00 0.00 57.07 55.77 2rqe s TYR 86 Cb 0.00 -1.23 0.17 0.00 -0.40 0.00 0.00 41.96 40.50 2rqe s TYR 86 CO 0.00 0.29 1.22 0.50 -1.57 0.00 0.00 175.55 175.99 2rqe s ARG 87 N -3.73 0.23 0.87 -0.62 3.52 -1.26 -0.40 118.95 117.56 2rqe s ARG 87 Ca 0.31 0.32 -0.12 0.00 -0.13 0.00 0.00 55.73 56.11 2rqe s ARG 87 Cb 0.05 0.09 0.11 0.00 -1.56 0.00 0.00 34.95 33.65 2rqe s ARG 87 CO 0.14 -0.03 1.13 -1.14 -0.81 0.00 0.00 175.30 174.58 2rqe s GLN 88 N 0.48 1.47 0.24 5.12 2.00 -0.52 -4.57 119.66 123.88 2rqe s GLN 88 Ca 0.01 0.35 -0.04 0.00 -2.00 0.00 0.00 55.36 53.67 2rqe s GLN 88 Cb -0.04 -1.87 0.02 0.00 0.80 0.00 0.00 33.01 31.91 2rqe s GLN 88 CO -0.12 -1.98 0.39 -3.47 -0.50 0.00 0.00 175.29 169.61 2rqe n ASP 89 N -3.63 -1.11 0.00 6.67 2.03 -1.26 -4.23 116.55 115.02 2rqe n ASP 89 Ca 0.07 -2.16 0.00 0.00 0.52 0.00 0.00 54.79 53.22 2rqe n ASP 89 Cb 0.59 1.96 0.00 0.00 -0.72 0.00 0.00 41.12 42.95 2rqe n ASP 89 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2rqe n ASN 90 N -1.63 0.00 -2.59 1.67 4.05 -1.26 -4.71 115.26 110.80 2rqe n ASN 90 Ca -0.02 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 54.93 2rqe n ASN 90 Cb 0.38 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.40 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 -0.61 0.04 3.15 8.20 0.00 -1.16 -4.87 105.19 109.94 2rqe n GLY 91 Ca 0.00 0.25 0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.04 0.23 -0.20 1.61 2.12 -1.15 -4.34 118.70 115.92 2rqe s GLU 92 Ca 0.08 0.40 -0.05 0.00 0.36 0.00 0.00 54.97 55.77 2rqe s GLU 92 Cb -0.01 0.22 0.10 0.00 0.26 0.00 0.00 34.13 34.71 2rqe s GLU 92 CO 0.19 -0.25 0.37 -1.58 -0.54 0.00 0.00 175.26 173.45 2rqe s TRP 93 N 2.94 -0.72 0.04 5.30 0.51 0.11 -4.95 118.94 122.18 2rqe s TRP 93 Ca 0.01 1.12 -0.22 0.00 -2.12 0.00 0.00 56.10 54.89 2rqe s TRP 93 Cb -0.11 0.11 -0.06 0.00 -0.81 0.00 0.00 33.47 32.61 2rqe s TRP 93 CO -0.12 -0.55 0.67 0.99 -0.51 0.00 0.00 176.95 177.42 2rqe s THR 94 N 2.54 4.76 -0.10 2.01 2.01 -1.26 0.45 115.64 126.04 2rqe s THR 94 Ca 0.04 1.42 -0.29 0.00 0.31 0.00 0.00 61.69 63.17 2rqe s THR 94 Cb -0.13 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 2rqe s THR 94 CO -0.13 0.43 1.66 -0.69 -0.69 0.00 0.00 174.62 175.20 2rqe s VAL 95 N -0.40 3.61 0.00 3.82 1.01 -0.73 -4.80 120.40 122.91 2rqe s VAL 95 Ca 0.34 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2rqe s VAL 95 Cb -0.20 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2rqe s VAL 95 CO 0.20 -0.12 0.19 -0.62 0.00 0.00 0.00 175.10 174.75 2rqe n GLU 96 N 7.31 -0.19 -3.98 2.72 1.02 -1.26 -2.65 120.64 123.61 2rqe n GLU 96 Ca 0.18 -0.20 -0.25 0.00 -0.02 0.00 0.00 57.16 56.87 2rqe n GLU 96 Cb 0.43 -0.65 -0.04 0.00 -0.02 0.00 0.00 31.44 31.17 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 -0.01 3.49 3.35 0.62 0.00 -1.26 -5.06 105.19 106.32 2rqe n GLY 97 Ca 0.00 -2.33 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.41 -0.33 0.13 1.61 5.36 -1.26 -3.77 117.98 117.31 2rqe s PHE 98 Ca 0.05 0.28 -0.26 0.00 -0.96 0.00 0.00 56.93 56.05 2rqe s PHE 98 Cb -0.00 0.29 0.07 0.00 -0.34 0.00 0.00 43.02 43.03 2rqe s PHE 98 CO 0.03 -0.63 1.00 0.14 -1.46 0.00 0.00 175.22 174.31 2rqe s VAL 99 N -2.70 0.00 -0.01 3.12 -7.23 -0.98 -4.65 120.40 107.94 2rqe s VAL 99 Ca -0.04 -0.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 2rqe s VAL 99 Cb -0.00 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 2rqe s VAL 99 CO -0.04 0.00 -0.10 1.51 -0.31 0.00 0.00 175.10 176.16 2rqe s ASP 100 N -2.94 1.16 -0.17 4.85 1.47 -1.26 -3.41 116.67 116.36 2rqe s ASP 100 Ca 0.12 -0.18 -0.03 0.00 1.18 0.00 0.00 52.55 53.65 2rqe s ASP 100 Cb -0.01 -0.14 -0.02 0.00 -0.34 0.00 0.00 42.92 42.41 2rqe s ASP 100 CO 0.01 0.12 2.70 1.21 0.68 0.00 0.00 175.17 179.89 2rqe n GLU 101 N 2.86 1.81 0.00 2.11 2.13 -1.26 -5.03 120.64 123.27 2rqe n GLU 101 Ca -0.14 -1.20 0.00 0.00 0.66 0.00 0.00 57.16 56.48 2rqe n GLU 101 Cb 0.56 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.56 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72