#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ur6 n ALA 2 N 0.00 0.73 -0.33 -5.12 0.00 -1.26 -4.79 120.51 109.74 1ur6 n ALA 2 Ca 0.00 -2.17 0.04 0.00 0.00 0.00 0.00 53.44 51.31 1ur6 n ALA 2 Cb 0.00 -1.05 0.22 0.00 0.00 0.00 0.00 19.45 18.62 1ur6 n ALA 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ur6 h LEU 3 N 2.85 0.95 0.02 0.00 5.85 -2.01 0.20 115.31 123.18 1ur6 h LEU 3 Ca -0.07 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1ur6 h LEU 3 Cb 1.10 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1ur6 h LEU 3 CO 0.24 0.61 -0.07 0.50 -0.34 0.00 0.00 178.44 179.38 1ur6 h LYS 4 N 1.08 -0.13 -0.03 1.25 1.63 -1.99 -1.32 116.57 117.05 1ur6 h LYS 4 Ca 0.41 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.23 1ur6 h LYS 4 Cb 0.20 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1ur6 h LYS 4 CO -0.16 -0.09 -0.05 0.00 -3.45 0.00 0.00 179.45 175.70 1ur6 h ARG 5 N -0.14 -0.07 -0.74 1.90 2.47 -1.74 0.25 114.38 116.32 1ur6 h ARG 5 Ca 0.02 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.88 1ur6 h ARG 5 Cb 0.16 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 28.40 1ur6 h ARG 5 CO -0.06 -0.04 0.29 0.82 0.56 0.00 0.00 179.97 181.54 1ur6 h ILE 6 N -0.07 0.67 0.22 2.04 2.04 -0.76 0.14 117.51 121.79 1ur6 h ILE 6 Ca 0.03 -0.15 -0.32 0.00 1.00 0.00 0.00 64.86 65.42 1ur6 h ILE 6 Cb 0.11 0.18 0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1ur6 h ILE 6 CO -0.08 0.08 -1.48 0.45 0.00 0.00 0.00 178.15 177.13 1ur6 h HIS 7 N 0.44 0.85 -0.25 1.37 3.86 -0.96 -2.86 115.15 117.61 1ur6 h HIS 7 Ca 0.41 -0.62 -0.02 0.00 -1.16 0.00 0.00 60.37 58.98 1ur6 h HIS 7 Cb 0.61 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1ur6 h HIS 7 CO -0.17 1.57 0.09 0.87 0.86 0.00 0.00 177.93 181.15 1ur6 h LYS 8 N 0.06 0.38 -0.08 2.45 1.57 -0.15 -2.02 116.57 118.78 1ur6 h LYS 8 Ca -0.27 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 1ur6 h LYS 8 Cb 2.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 34.32 1ur6 h LYS 8 CO 0.23 0.44 -0.24 0.93 -0.57 0.00 0.00 179.45 180.24 1ur6 h GLU 9 N 0.24 0.14 0.04 3.15 5.08 -0.87 0.20 114.58 122.56 1ur6 h GLU 9 Ca 0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ur6 h GLU 9 Cb 0.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1ur6 h GLU 9 CO -0.00 0.38 -0.02 1.25 -1.00 0.00 0.00 179.01 179.62 1ur6 h LEU 10 N 0.13 -0.05 -0.36 1.33 5.85 -1.20 -0.78 115.31 120.23 1ur6 h LEU 10 Ca 0.02 -0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.51 1ur6 h LEU 10 Cb 0.51 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1ur6 h LEU 10 CO 0.04 0.02 -0.82 -1.13 -0.34 0.00 0.00 178.44 176.20 1ur6 h ASN 11 N -0.10 0.20 -0.10 1.25 -0.73 -1.14 -2.44 115.58 112.52 1ur6 h ASN 11 Ca -0.01 -0.16 0.02 0.00 1.87 0.00 0.00 56.30 58.02 1ur6 h ASN 11 Cb 0.09 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.60 1ur6 h ASN 11 CO 0.01 0.94 0.00 -0.78 -0.37 0.00 0.00 177.43 177.23 1ur6 h ASP 12 N 0.09 -0.03 0.45 1.15 3.58 -0.38 -1.57 116.42 119.71 1ur6 h ASP 12 Ca -0.03 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1ur6 h ASP 12 Cb 1.43 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.51 1ur6 h ASP 12 CO 0.12 -0.00 -0.07 0.18 -2.88 0.00 0.00 179.24 176.59 1ur6 n LEU 13 N -5.11 0.28 0.07 2.28 4.32 -0.32 -2.81 117.00 115.71 1ur6 n LEU 13 Ca -0.05 0.12 -0.22 0.00 -0.02 0.00 0.00 56.01 55.84 1ur6 n LEU 13 Cb 0.07 -0.23 -0.15 0.00 -1.62 0.00 0.00 43.42 41.49 1ur6 n LEU 13 CO 0.30 0.05 -0.29 0.00 -1.22 0.00 0.00 177.39 176.23 1ur6 h ALA 14 N 3.52 0.02 0.03 -1.18 0.00 -0.81 -2.08 119.26 118.76 1ur6 h ALA 14 Ca 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 54.91 53.96 1ur6 h ALA 14 Cb 0.33 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ur6 h ALA 14 CO 0.00 0.72 -0.01 0.00 0.00 0.00 0.00 179.25 179.96 1ur6 h ARG 15 N -0.11 -0.04 -3.52 0.00 3.08 -1.38 -3.43 114.38 108.98 1ur6 h ARG 15 Ca -0.26 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.18 1ur6 h ARG 15 Cb 1.91 0.01 -0.40 0.00 0.08 0.00 0.00 29.97 31.57 1ur6 h ARG 15 CO 0.16 0.65 -0.74 -0.51 -1.07 0.00 0.00 179.97 178.47 1ur6 s ASP 16 N -5.92 4.03 0.30 7.04 1.01 -1.12 -5.11 116.67 116.88 1ur6 s ASP 16 Ca -0.14 -2.15 -0.29 0.00 0.71 0.00 0.00 52.55 50.67 1ur6 s ASP 16 Cb -0.01 -1.09 -0.10 0.00 1.01 0.00 0.00 42.92 42.73 1ur6 s ASP 16 CO 0.54 -0.35 1.27 -2.84 0.21 0.00 0.00 175.17 174.01 1ur6 s PRO 17 N 0.95 4.41 0.05 8.23 0.02 -1.24 -4.44 135.00 142.98 1ur6 s PRO 17 Ca 0.13 2.11 -0.28 0.00 0.02 0.00 0.00 61.00 62.99 1ur6 s PRO 17 Cb -0.21 -3.11 -0.15 0.00 0.02 0.00 0.00 34.50 31.05 1ur6 s PRO 17 CO -0.12 -0.13 1.42 -1.00 -0.33 0.00 0.00 177.00 176.85 1ur6 h PRO 18 N 3.85 -0.90 -0.50 5.54 0.13 -1.87 -3.46 132.00 134.78 1ur6 h PRO 18 Ca -0.48 0.06 0.21 0.00 -0.87 0.00 0.00 66.00 64.93 1ur6 h PRO 18 Cb 1.22 0.20 -0.22 0.00 0.13 0.00 0.00 31.00 32.34 1ur6 h PRO 18 CO 0.68 -0.60 0.14 0.00 -0.23 0.00 0.00 178.00 177.99 1ur6 s ALA 19 N -5.22 -3.19 0.00 -0.56 0.00 -1.26 -4.97 121.76 106.56 1ur6 s ALA 19 Ca -0.14 1.61 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1ur6 s ALA 19 Cb 0.02 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1ur6 s ALA 19 CO 0.45 -1.32 0.00 1.04 0.00 0.00 0.00 175.76 175.92 1ur6 n GLN 20 N 5.33 0.00 -3.50 0.00 6.02 -1.26 -4.82 117.38 119.15 1ur6 n GLN 20 Ca -0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.52 1ur6 n GLN 20 Cb 0.53 -0.81 -0.10 0.00 1.02 0.00 0.00 30.24 30.88 1ur6 n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ur6 s SER 22 N 1.72 3.51 0.20 0.00 0.15 0.01 -3.94 113.70 115.35 1ur6 s SER 22 Ca 0.07 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.37 1ur6 s SER 22 Cb -0.17 -0.83 0.01 0.00 -1.71 0.00 0.00 66.02 63.32 1ur6 s SER 22 CO 0.11 0.29 0.12 0.00 1.20 0.00 0.00 173.24 174.96 1ur6 n ALA 23 N 2.69 0.28 0.00 5.45 0.00 -0.78 0.08 120.51 128.23 1ur6 n ALA 23 Ca -0.17 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1ur6 n ALA 23 Cb 0.52 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1ur6 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ur6 n GLY 24 N 2.60 0.51 3.81 0.00 0.00 -1.25 -4.08 105.19 106.78 1ur6 n GLY 24 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1ur6 n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ur6 s PRO 25 N 0.00 3.52 0.40 1.61 0.04 -1.26 -4.90 135.00 134.41 1ur6 s PRO 25 Ca 0.00 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.30 1ur6 s PRO 25 Cb 0.00 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1ur6 s PRO 25 CO 0.00 -0.64 0.01 0.14 0.04 0.00 0.00 177.00 176.55 1ur6 s VAL 26 N -2.40 2.07 0.00 -0.36 -7.23 -1.26 -3.60 120.40 107.62 1ur6 s VAL 26 Ca 0.63 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1ur6 s VAL 26 Cb -0.15 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1ur6 s VAL 26 CO 0.33 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 1ur6 n GLY 27 N -0.98 2.08 0.30 2.32 0.00 0.26 -4.85 105.19 104.31 1ur6 n GLY 27 Ca -0.05 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 1ur6 n GLY 27 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ur6 h ASP 28 N 0.00 -0.62 -4.08 1.61 3.04 -1.98 -3.45 116.42 110.94 1ur6 h ASP 28 Ca 0.00 0.02 -0.54 0.00 -3.24 0.00 0.00 57.03 53.27 1ur6 h ASP 28 Cb 0.00 0.16 0.13 0.00 -1.04 0.00 0.00 39.33 38.58 1ur6 h ASP 28 CO 0.00 -0.34 0.53 -0.62 -2.04 0.00 0.00 179.24 176.77 1ur6 s ASP 29 N -3.91 5.06 0.28 4.15 -1.08 -1.26 -4.91 116.67 115.00 1ur6 s ASP 29 Ca -0.11 2.58 0.00 0.00 -0.52 0.00 0.00 52.55 54.51 1ur6 s ASP 29 Cb 0.01 -2.62 0.52 0.00 -1.46 0.00 0.00 42.92 39.37 1ur6 s ASP 29 CO 0.32 -1.69 1.85 -0.03 0.52 0.00 0.00 175.17 176.13 1ur6 h MET 30 N 1.01 1.01 -0.78 4.34 4.05 -2.03 -1.30 114.93 121.23 1ur6 h MET 30 Ca -0.51 -0.06 -0.43 0.00 -0.28 0.00 0.00 59.70 58.42 1ur6 h MET 30 Cb 1.31 -0.23 -0.25 0.00 -0.80 0.00 0.00 31.60 31.64 1ur6 h MET 30 CO 0.55 0.67 0.38 1.97 0.23 0.00 0.00 176.91 180.70 1ur6 n PHE 31 N -4.59 2.43 -3.24 1.39 1.16 -1.26 -4.87 117.46 108.47 1ur6 n PHE 31 Ca 0.18 -1.94 -0.46 0.00 -1.87 0.00 0.00 57.45 53.36 1ur6 n PHE 31 Cb 0.31 -0.84 -0.05 0.00 -1.61 0.00 0.00 39.48 37.30 1ur6 n PHE 31 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1ur6 s HIS 32 N -3.37 3.20 0.49 2.97 2.46 -0.49 -3.08 115.29 117.47 1ur6 s HIS 32 Ca 0.54 -1.24 -0.19 0.00 0.47 0.00 0.00 55.06 54.64 1ur6 s HIS 32 Cb 0.46 -3.88 -0.08 0.00 -0.13 0.00 0.00 32.58 28.94 1ur6 s HIS 32 CO 0.05 -1.12 1.00 -1.58 -2.47 0.00 0.00 174.74 170.63 1ur6 s TRP 33 N 1.86 3.19 -0.43 3.88 0.52 0.37 -0.58 118.94 127.76 1ur6 s TRP 33 Ca 0.08 1.55 0.05 0.00 0.02 0.00 0.00 56.10 57.80 1ur6 s TRP 33 Cb -0.26 -2.93 0.17 0.00 -1.15 0.00 0.00 33.47 29.30 1ur6 s TRP 33 CO 0.03 -0.55 0.47 -1.14 0.02 0.00 0.00 176.95 175.78 1ur6 s GLN 34 N -3.54 0.89 0.53 4.98 0.74 -1.24 -0.36 119.66 121.67 1ur6 s GLN 34 Ca 0.63 -1.47 0.05 0.00 0.05 0.00 0.00 55.36 54.62 1ur6 s GLN 34 Cb -0.13 -0.82 0.05 0.00 1.10 0.00 0.00 33.01 33.22 1ur6 s GLN 34 CO 0.23 -1.32 0.74 0.00 -0.55 0.00 0.00 175.29 174.39 1ur6 s ALA 35 N 0.66 4.21 -0.10 1.58 0.00 -1.08 -4.25 121.76 122.79 1ur6 s ALA 35 Ca 0.28 -1.62 0.04 0.00 0.00 0.00 0.00 51.96 50.66 1ur6 s ALA 35 Cb -0.02 -1.82 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 1ur6 s ALA 35 CO -0.11 -0.70 -0.24 0.99 0.00 0.00 0.00 175.76 175.70 1ur6 s THR 36 N -2.66 2.08 0.16 0.00 2.01 0.11 -0.54 115.64 116.81 1ur6 s THR 36 Ca 0.58 -1.02 0.06 0.00 0.31 0.00 0.00 61.69 61.62 1ur6 s THR 36 Cb -0.09 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1ur6 s THR 36 CO 0.37 0.56 0.08 -0.51 -0.69 0.00 0.00 174.62 174.44 1ur6 s ILE 37 N 0.29 4.20 -0.04 1.82 1.10 0.06 -0.81 121.20 127.82 1ur6 s ILE 37 Ca -0.17 -1.19 0.04 0.00 -0.51 0.00 0.00 60.65 58.81 1ur6 s ILE 37 Cb -0.18 -3.13 -0.00 0.00 0.15 0.00 0.00 42.46 39.31 1ur6 s ILE 37 CO 0.08 -0.09 -0.14 -0.04 -2.11 0.00 0.00 174.94 172.64 1ur6 s MET 38 N -3.00 1.51 0.44 3.50 -1.94 -0.60 -3.82 119.30 115.39 1ur6 s MET 38 Ca 0.29 -0.51 -0.23 0.00 -1.71 0.00 0.00 55.69 53.54 1ur6 s MET 38 Cb -0.10 -1.33 -0.08 0.00 2.01 0.00 0.00 34.83 35.33 1ur6 s MET 38 CO 0.21 0.20 1.10 0.20 -0.01 0.00 0.00 175.02 176.73 1ur6 s GLY 39 N 0.09 2.72 0.66 -0.03 0.00 0.39 -4.86 107.32 106.29 1ur6 s GLY 39 Ca -0.03 0.80 -0.11 0.00 0.00 0.00 0.00 44.72 45.37 1ur6 s GLY 39 CO 0.02 1.22 1.05 2.56 0.00 0.00 0.00 173.10 177.95 1ur6 s PRO 40 N -2.70 3.17 0.44 2.90 0.04 -1.24 -4.32 135.00 133.29 1ur6 s PRO 40 Ca 0.62 0.92 0.24 0.00 0.04 0.00 0.00 61.00 62.82 1ur6 s PRO 40 Cb -0.24 -2.02 0.55 0.00 0.04 0.00 0.00 34.50 32.82 1ur6 s PRO 40 CO 0.30 -0.91 1.68 -2.95 0.04 0.00 0.00 177.00 175.15 1ur6 h ASN 41 N -0.47 0.00 1.29 6.66 -1.07 -1.96 -3.05 115.58 116.98 1ur6 h ASN 41 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.93 1ur6 h ASN 41 Cb 1.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 1ur6 h ASN 41 CO 0.58 0.09 0.00 -2.24 0.07 0.00 0.00 177.43 175.93 1ur6 h ASP 42 N 0.00 0.00 -2.47 6.14 3.04 -1.93 -3.45 116.42 117.75 1ur6 h ASP 42 Ca -0.00 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.24 1ur6 h ASP 42 Cb 0.94 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.09 1ur6 h ASP 42 CO 0.01 0.00 -0.66 -0.44 -2.04 0.00 0.00 179.24 176.11 1ur6 s SER 43 N -4.66 3.20 0.00 4.15 0.01 -1.15 -4.94 113.70 110.31 1ur6 s SER 43 Ca 0.08 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.11 1ur6 s SER 43 Cb 0.11 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1ur6 s SER 43 CO 0.54 -0.32 1.50 -0.81 0.41 0.00 0.00 173.24 174.56 1ur6 n PRO 44 N -0.71 0.78 -5.25 12.44 -0.04 -1.26 -4.70 135.00 136.26 1ur6 n PRO 44 Ca -0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.11 1ur6 n PRO 44 Cb 0.64 -1.11 -0.16 0.00 -0.04 0.00 0.00 33.50 32.83 1ur6 n PRO 44 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ur6 s TYR 45 N 0.43 2.24 0.51 0.54 2.02 -1.26 -3.18 117.35 118.66 1ur6 s TYR 45 Ca 0.00 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.30 1ur6 s TYR 45 Cb 0.00 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 40.12 1ur6 s TYR 45 CO 0.00 -0.04 0.18 1.14 -1.57 0.00 0.00 175.55 175.26 1ur6 s GLN 46 N -0.57 2.22 0.00 -0.62 -2.07 -1.26 -3.60 119.66 113.75 1ur6 s GLN 46 Ca 0.09 -2.19 0.00 0.00 -1.82 0.00 0.00 55.36 51.44 1ur6 s GLN 46 Cb -0.10 -1.81 0.00 0.00 -1.09 0.00 0.00 33.01 30.02 1ur6 s GLN 46 CO -0.01 -0.44 0.18 0.41 -1.32 0.00 0.00 175.29 174.11 1ur6 n GLY 47 N -1.47 0.07 7.00 2.60 0.00 -1.26 -0.47 105.19 111.67 1ur6 n GLY 47 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ur6 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ur6 n GLY 48 N 1.48 2.89 2.93 -0.02 0.00 -1.26 -4.14 105.19 107.07 1ur6 n GLY 48 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 1ur6 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ur6 s VAL 49 N 0.00 -0.84 -0.38 1.61 0.11 -1.26 -5.01 120.40 114.63 1ur6 s VAL 49 Ca 0.00 -0.41 -0.10 0.00 -2.93 0.00 0.00 61.98 58.53 1ur6 s VAL 49 Cb 0.00 0.00 0.04 0.00 -1.53 0.00 0.00 36.38 34.89 1ur6 s VAL 49 CO 0.00 0.00 0.20 -0.36 -3.33 0.00 0.00 175.10 171.61 1ur6 s PHE 50 N 1.39 3.26 0.07 1.54 0.08 -1.25 -4.89 117.98 118.18 1ur6 s PHE 50 Ca 0.22 -1.09 -0.20 0.00 0.12 0.00 0.00 56.93 55.98 1ur6 s PHE 50 Cb -0.00 -2.49 -0.07 0.00 -0.57 0.00 0.00 43.02 39.90 1ur6 s PHE 50 CO -0.07 -0.69 0.60 -0.06 -0.10 0.00 0.00 175.22 174.90 1ur6 s PHE 51 N 1.52 3.80 -0.29 0.36 0.08 -1.26 -0.76 117.98 121.43 1ur6 s PHE 51 Ca 0.02 1.31 0.02 0.00 0.12 0.00 0.00 56.93 58.39 1ur6 s PHE 51 Cb -0.20 -2.56 0.08 0.00 -0.57 0.00 0.00 43.02 39.78 1ur6 s PHE 51 CO 0.06 0.53 0.01 -0.48 -0.10 0.00 0.00 175.22 175.23 1ur6 s LEU 52 N -0.92 3.40 -0.44 -0.37 2.34 0.30 -0.27 118.68 122.73 1ur6 s LEU 52 Ca 0.30 -1.64 -0.29 0.00 0.06 0.00 0.00 54.13 52.56 1ur6 s LEU 52 Cb -0.20 -1.32 0.03 0.00 -0.56 0.00 0.00 46.19 44.13 1ur6 s LEU 52 CO 0.20 -0.32 1.11 0.42 -1.06 0.00 0.00 176.35 176.70 1ur6 s THR 53 N 1.22 4.29 -0.25 5.48 -4.23 -0.67 -2.63 115.64 118.86 1ur6 s THR 53 Ca 0.03 1.33 -0.10 0.00 -1.18 0.00 0.00 61.69 61.76 1ur6 s THR 53 Cb -0.19 -4.55 -0.05 0.00 1.34 0.00 0.00 72.50 69.05 1ur6 s THR 53 CO -0.10 -0.87 0.15 -0.63 -0.54 0.00 0.00 174.62 172.63 1ur6 s ILE 54 N 4.22 5.22 -0.36 2.99 1.01 0.52 -0.73 121.20 134.07 1ur6 s ILE 54 Ca 0.47 0.13 -0.10 0.00 0.00 0.00 0.00 60.65 61.15 1ur6 s ILE 54 Cb -0.08 -3.44 0.02 0.00 0.01 0.00 0.00 42.46 38.97 1ur6 s ILE 54 CO 0.27 0.33 0.18 -2.28 0.00 0.00 0.00 174.94 173.44 1ur6 s HIS 55 N 1.24 3.23 0.45 3.97 2.46 0.55 -0.48 115.29 126.72 1ur6 s HIS 55 Ca 0.07 -0.95 -0.22 0.00 0.47 0.00 0.00 55.06 54.43 1ur6 s HIS 55 Cb -0.14 -2.40 -0.08 0.00 -0.13 0.00 0.00 32.58 29.82 1ur6 s HIS 55 CO 0.06 -0.62 1.07 -0.06 -2.47 0.00 0.00 174.74 172.71 1ur6 s PHE 56 N 1.54 3.06 0.00 3.88 0.08 -1.18 -0.65 117.98 124.71 1ur6 s PHE 56 Ca 0.02 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.66 1ur6 s PHE 56 Cb -0.19 -3.16 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 1ur6 s PHE 56 CO 0.06 -0.92 0.00 -0.35 -0.10 0.00 0.00 175.22 173.91 1ur6 n PRO 57 N -0.57 2.14 -0.17 0.24 -0.04 -1.26 -4.89 135.00 130.45 1ur6 n PRO 57 Ca 0.07 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.46 1ur6 n PRO 57 Cb 0.51 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.98 1ur6 n PRO 57 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1ur6 h THR 58 N 0.00 1.16 -3.34 0.52 2.02 -1.96 -3.39 112.91 107.91 1ur6 h THR 58 Ca 0.00 -0.37 -0.54 0.00 0.77 0.00 0.00 66.41 66.27 1ur6 h THR 58 Cb 0.00 0.51 -0.40 0.00 -1.74 0.00 0.00 68.15 66.52 1ur6 h THR 58 CO 0.00 0.16 -0.77 -1.81 0.37 0.00 0.00 175.52 173.47 1ur6 s ASP 59 N -5.75 3.23 0.12 4.18 1.01 -1.26 -4.65 116.67 113.55 1ur6 s ASP 59 Ca -0.13 -0.98 -0.20 0.00 0.71 0.00 0.00 52.55 51.95 1ur6 s ASP 59 Cb 0.12 -0.75 -0.04 0.00 1.01 0.00 0.00 42.92 43.26 1ur6 s ASP 59 CO 0.75 -0.30 1.71 0.22 0.21 0.00 0.00 175.17 177.76 1ur6 h TYR 60 N 8.17 -0.05 -0.05 4.23 3.20 -1.80 0.26 116.97 130.91 1ur6 h TYR 60 Ca -0.16 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 1ur6 h TYR 60 Cb 1.10 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1ur6 h TYR 60 CO 0.34 -0.05 0.01 -0.35 -1.64 0.00 0.00 178.16 176.46 1ur6 n PRO 61 N -5.16 1.30 0.00 1.82 -0.04 -1.26 -3.78 135.00 127.87 1ur6 n PRO 61 Ca -0.03 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1ur6 n PRO 61 Cb 0.11 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1ur6 n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ur6 n PHE 62 N 0.09 0.00 -4.51 0.54 3.72 -0.98 -4.77 117.46 111.55 1ur6 n PHE 62 Ca 0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.13 1ur6 n PHE 62 Cb 0.37 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.79 1ur6 n PHE 62 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1ur6 s LYS 63 N -1.00 1.93 0.05 -1.08 -0.14 0.87 -4.93 119.74 115.43 1ur6 s LYS 63 Ca 0.00 -1.07 -0.31 0.00 -1.36 0.00 0.00 55.97 53.23 1ur6 s LYS 63 Cb 0.00 -2.15 -0.06 0.00 -1.68 0.00 0.00 37.83 33.94 1ur6 s LYS 63 CO 0.00 0.51 1.36 -2.14 -0.76 0.00 0.00 175.35 174.33 1ur6 s PRO 64 N -1.74 4.32 0.77 -1.68 0.02 -1.26 -4.55 135.00 130.88 1ur6 s PRO 64 Ca 0.16 1.97 -0.11 0.00 0.02 0.00 0.00 61.00 63.03 1ur6 s PRO 64 Cb -0.11 -3.43 0.06 0.00 0.02 0.00 0.00 34.50 31.04 1ur6 s PRO 64 CO 0.07 -0.48 1.10 -2.14 -0.33 0.00 0.00 177.00 175.23 1ur6 s PRO 65 N 1.78 2.17 -0.36 5.54 0.02 -1.26 -4.66 135.00 138.23 1ur6 s PRO 65 Ca 0.63 1.26 -0.11 0.00 0.02 0.00 0.00 61.00 62.80 1ur6 s PRO 65 Cb -0.33 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.33 1ur6 s PRO 65 CO 0.28 -1.72 0.19 0.15 -0.33 0.00 0.00 177.00 175.58 1ur6 s LYS 66 N -4.74 2.95 -0.24 5.54 3.01 0.17 -4.96 119.74 121.47 1ur6 s LYS 66 Ca 0.63 -0.99 -0.16 0.00 -1.01 0.00 0.00 55.97 54.43 1ur6 s LYS 66 Cb -0.19 -3.69 -0.03 0.00 -1.01 0.00 0.00 37.83 32.91 1ur6 s LYS 66 CO 0.54 -0.63 0.44 0.08 0.51 0.00 0.00 175.35 176.29 1ur6 s VAL 67 N 1.57 5.14 -0.29 3.17 1.01 -1.26 -0.33 120.40 129.40 1ur6 s VAL 67 Ca 0.03 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1ur6 s VAL 67 Cb -0.19 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.52 1ur6 s VAL 67 CO 0.07 0.16 0.06 0.00 0.00 0.00 0.00 175.10 175.38 1ur6 s ALA 68 N 1.92 1.82 0.22 5.51 0.00 0.09 -1.90 121.76 129.43 1ur6 s ALA 68 Ca 0.19 -1.69 -0.32 0.00 0.00 0.00 0.00 51.96 50.14 1ur6 s ALA 68 Cb -0.15 -1.61 -0.13 0.00 0.00 0.00 0.00 23.12 21.22 1ur6 s ALA 68 CO 0.09 -1.54 1.52 1.19 0.00 0.00 0.00 175.76 177.03 1ur6 n PHE 69 N 4.72 2.36 0.07 0.00 3.01 0.16 -1.68 117.46 126.10 1ur6 n PHE 69 Ca -0.03 0.31 -0.17 0.00 1.01 0.00 0.00 57.45 58.57 1ur6 n PHE 69 Cb 0.43 -2.53 -0.14 0.00 -0.01 0.00 0.00 39.48 37.23 1ur6 n PHE 69 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ur6 h THR 70 N 3.35 1.18 -3.59 4.37 2.02 -0.97 -3.37 112.91 115.91 1ur6 h THR 70 Ca -0.45 -2.81 -0.68 0.00 0.77 0.00 0.00 66.41 63.24 1ur6 h THR 70 Cb 1.25 2.78 -0.18 0.00 -1.74 0.00 0.00 68.15 70.26 1ur6 h THR 70 CO 0.82 0.82 -0.20 -0.89 0.37 0.00 0.00 175.52 176.44 1ur6 s THR 71 N -2.62 5.09 -0.38 3.16 2.01 -0.84 -4.96 115.64 117.11 1ur6 s THR 71 Ca -0.09 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.50 1ur6 s THR 71 Cb 0.07 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 1ur6 s THR 71 CO 0.86 -0.31 2.16 -0.60 -0.69 0.00 0.00 174.62 176.04 1ur6 s ARG 72 N 2.15 2.77 0.01 4.92 3.52 -1.26 -4.75 118.95 126.31 1ur6 s ARG 72 Ca 0.13 1.54 0.03 0.00 -0.13 0.00 0.00 55.73 57.30 1ur6 s ARG 72 Cb -0.17 -4.41 -0.03 0.00 -1.56 0.00 0.00 34.95 28.78 1ur6 s ARG 72 CO 0.13 -2.52 -0.06 -1.50 -0.81 0.00 0.00 175.30 170.54 1ur6 s ILE 73 N 9.41 3.66 -0.75 4.11 2.07 -1.26 -4.95 121.20 133.49 1ur6 s ILE 73 Ca 0.91 -0.80 -0.26 0.00 -1.41 0.00 0.00 60.65 59.09 1ur6 s ILE 73 Cb -0.23 -2.60 0.03 0.00 0.13 0.00 0.00 42.46 39.79 1ur6 s ILE 73 CO 0.30 0.37 1.27 -0.47 -1.91 0.00 0.00 174.94 174.50 1ur6 s TYR 74 N -1.02 2.32 -0.13 3.50 6.14 -1.26 -4.82 117.35 122.08 1ur6 s TYR 74 Ca 0.18 -0.13 -0.05 0.00 0.64 0.00 0.00 57.07 57.70 1ur6 s TYR 74 Cb -0.11 -4.61 0.06 0.00 0.42 0.00 0.00 41.96 37.72 1ur6 s TYR 74 CO 0.08 -2.04 0.28 -1.58 0.64 0.00 0.00 175.55 172.94 1ur6 s HIS 75 N 5.57 -0.45 0.34 4.97 2.46 -1.25 -4.85 115.29 122.07 1ur6 s HIS 75 Ca 0.35 1.01 0.13 0.00 0.47 0.00 0.00 55.06 57.01 1ur6 s HIS 75 Cb -0.08 0.03 1.09 0.00 -0.13 0.00 0.00 32.58 33.49 1ur6 s HIS 75 CO 0.13 -0.34 1.58 -1.35 -2.47 0.00 0.00 174.74 172.30 1ur6 h PRO 76 N 7.96 0.03 -0.00 2.88 0.11 -1.92 0.49 132.00 141.54 1ur6 h PRO 76 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1ur6 h PRO 76 Cb 1.13 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ur6 h PRO 76 CO 0.20 0.02 -0.39 0.09 -0.21 0.00 0.00 178.00 177.70 1ur6 n ASN 77 N -5.34 0.82 -4.15 -2.05 4.13 -1.26 -4.06 115.26 103.36 1ur6 n ASN 77 Ca 0.31 -0.63 -0.37 0.00 1.68 0.00 0.00 54.58 55.57 1ur6 n ASN 77 Cb 1.05 0.22 -0.11 0.00 -1.54 0.00 0.00 39.78 39.40 1ur6 n ASN 77 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ur6 s ILE 78 N -2.73 3.50 0.86 2.41 1.01 0.17 -4.56 121.20 121.87 1ur6 s ILE 78 Ca 0.18 -1.93 -0.11 0.00 0.00 0.00 0.00 60.65 58.79 1ur6 s ILE 78 Cb 0.18 -3.34 0.11 0.00 0.01 0.00 0.00 42.46 39.42 1ur6 s ILE 78 CO 0.61 -0.67 1.10 0.20 0.00 0.00 0.00 174.94 176.18 1ur6 s ASN 79 N 1.97 3.63 0.62 3.58 0.02 -1.24 -3.97 114.94 119.55 1ur6 s ASN 79 Ca 0.07 1.83 0.34 0.00 -1.02 0.00 0.00 52.86 54.08 1ur6 s ASN 79 Cb -0.23 -2.44 1.97 0.00 0.02 0.00 0.00 41.25 40.56 1ur6 s ASN 79 CO -0.03 -2.59 2.24 0.77 0.02 0.00 0.00 177.10 177.50 1ur6 h SER 80 N -1.52 0.00 1.01 -1.22 4.64 -1.92 0.15 113.55 114.68 1ur6 h SER 80 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1ur6 h SER 80 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1ur6 h SER 80 CO 0.49 0.00 -0.15 -0.46 -0.87 0.00 0.00 176.83 175.84 1ur6 n ASN 81 N -3.54 0.35 0.00 4.97 6.94 -1.26 -4.79 115.26 117.93 1ur6 n ASN 81 Ca -0.02 0.35 0.00 0.00 -0.02 0.00 0.00 54.58 54.89 1ur6 n ASN 81 Cb 0.15 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 1ur6 n ASN 81 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ur6 n GLY 82 N 1.44 1.68 3.62 4.83 0.00 0.51 -4.63 105.19 112.64 1ur6 n GLY 82 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1ur6 n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ur6 s SER 83 N -1.86 6.25 -0.19 1.61 0.01 -1.26 0.37 113.70 118.62 1ur6 s SER 83 Ca 0.00 1.62 0.01 0.00 1.31 0.00 0.00 55.95 58.89 1ur6 s SER 83 Cb 0.00 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.73 1ur6 s SER 83 CO 0.00 -1.36 -0.18 -0.51 0.41 0.00 0.00 173.24 171.60 1ur6 s ILE 84 N 5.61 2.06 -0.83 1.44 1.10 -0.80 -3.69 121.20 126.09 1ur6 s ILE 84 Ca 0.75 -1.06 -0.16 0.00 -0.51 0.00 0.00 60.65 59.67 1ur6 s ILE 84 Cb -0.26 -1.92 0.18 0.00 0.15 0.00 0.00 42.46 40.61 1ur6 s ILE 84 CO 0.31 0.42 0.85 0.00 -2.11 0.00 0.00 174.94 174.42 1ur6 n LEU 86 N 4.94 3.32 -0.15 0.00 7.99 -1.26 -4.89 117.00 126.94 1ur6 n LEU 86 Ca 0.14 1.11 -0.08 0.00 -0.01 0.00 0.00 56.01 57.17 1ur6 n LEU 86 Cb 0.47 -1.46 0.01 0.00 -0.11 0.00 0.00 43.42 42.33 1ur6 n LEU 86 CO 0.41 -0.28 1.06 -0.78 -1.51 0.00 0.00 177.39 176.29 1ur6 h ASP 87 N 5.21 0.53 0.35 -1.43 3.58 -1.95 -1.62 116.42 121.09 1ur6 h ASP 87 Ca -0.45 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1ur6 h ASP 87 Cb 1.25 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1ur6 h ASP 87 CO 0.83 0.40 0.00 2.30 -2.88 0.00 0.00 179.24 179.89 1ur6 n ILE 88 N -4.75 1.19 0.98 2.25 -5.35 -1.26 -1.20 119.36 111.21 1ur6 n ILE 88 Ca 0.02 0.40 0.11 0.00 -0.27 0.00 0.00 62.75 63.00 1ur6 n ILE 88 Cb 0.03 -1.31 -0.03 0.00 -1.74 0.00 0.00 39.64 36.59 1ur6 n ILE 88 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ur6 n LEU 89 N -1.86 1.76 -4.84 7.28 4.32 -0.64 -4.38 117.00 118.63 1ur6 n LEU 89 Ca 0.01 -0.70 -0.35 0.00 -0.02 0.00 0.00 56.01 54.96 1ur6 n LEU 89 Cb 0.12 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.86 1ur6 n LEU 89 CO 0.11 0.34 -0.20 -0.13 -1.22 0.00 0.00 177.39 176.30 1ur6 s ARG 90 N -2.56 3.30 -0.79 3.23 0.52 -0.34 -4.43 118.95 117.88 1ur6 s ARG 90 Ca 0.16 -0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 55.02 1ur6 s ARG 90 Cb 0.17 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 1ur6 s ARG 90 CO 0.63 0.70 0.71 0.43 0.02 0.00 0.00 175.30 177.79 1ur6 n SER 91 N 1.45 -6.14 -2.17 0.23 7.64 -1.26 -4.63 113.62 108.73 1ur6 n SER 91 Ca -0.15 -0.43 -0.03 0.00 1.01 0.00 0.00 58.87 59.27 1ur6 n SER 91 Cb 0.53 -4.45 -0.03 0.00 -1.01 0.00 0.00 64.21 59.25 1ur6 n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ur6 n GLN 92 N -2.54 -3.08 -2.32 1.43 3.00 -1.26 -5.05 117.38 107.55 1ur6 n GLN 92 Ca -0.04 2.48 -0.26 0.00 -0.01 0.00 0.00 57.00 59.17 1ur6 n GLN 92 Cb 0.57 -3.63 0.14 0.00 0.00 0.00 0.00 30.24 27.32 1ur6 n GLN 92 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.06 178.73 1ur6 s TRP 93 N -0.43 1.55 -0.44 1.08 1.48 -1.26 -4.93 118.94 115.99 1ur6 s TRP 93 Ca -0.17 -0.05 -0.09 0.00 -1.06 0.00 0.00 56.10 54.73 1ur6 s TRP 93 Cb 0.01 -3.45 0.09 0.00 -1.16 0.00 0.00 33.47 28.96 1ur6 s TRP 93 CO 0.46 -2.11 0.29 -1.12 -4.06 0.00 0.00 176.95 170.41 1ur6 s SER 94 N -4.81 5.67 0.01 -2.66 0.01 -1.26 -4.94 113.70 105.72 1ur6 s SER 94 Ca 0.70 -1.62 0.02 0.00 1.31 0.00 0.00 55.95 56.36 1ur6 s SER 94 Cb -0.05 -2.00 0.11 0.00 0.21 0.00 0.00 66.02 64.29 1ur6 s SER 94 CO 0.48 -0.59 1.07 -0.81 0.41 0.00 0.00 173.24 173.80 1ur6 n PRO 95 N 4.92 0.01 0.00 12.44 -0.04 -1.26 -0.82 135.00 150.24 1ur6 n PRO 95 Ca -0.09 0.48 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 1ur6 n PRO 95 Cb 0.42 -1.52 0.57 0.00 -0.04 0.00 0.00 33.50 32.94 1ur6 n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ur6 n ALA 96 N -1.51 2.81 -2.58 0.55 0.00 -1.26 -4.84 120.51 113.67 1ur6 n ALA 96 Ca 0.00 -0.29 -0.40 0.00 0.00 0.00 0.00 53.44 52.75 1ur6 n ALA 96 Cb 0.02 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 1ur6 n ALA 96 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ur6 s LEU 97 N -2.48 4.39 0.57 0.00 2.96 -0.00 -5.05 118.68 119.06 1ur6 s LEU 97 Ca 0.28 1.44 -0.14 0.00 -0.22 0.00 0.00 54.13 55.49 1ur6 s LEU 97 Cb 0.20 -3.30 -0.06 0.00 0.50 0.00 0.00 46.19 43.53 1ur6 s LEU 97 CO 0.48 -0.11 1.01 0.28 -1.32 0.00 0.00 176.35 176.69 1ur6 s THR 98 N 0.54 4.47 0.61 3.68 -1.32 -1.26 -4.93 115.64 117.44 1ur6 s THR 98 Ca 0.43 1.03 0.33 0.00 -1.21 0.00 0.00 61.69 62.27 1ur6 s THR 98 Cb -0.20 -3.71 0.38 0.00 -1.51 0.00 0.00 72.50 67.46 1ur6 s THR 98 CO 0.23 -0.83 2.25 -0.29 -2.21 0.00 0.00 174.62 173.77 1ur6 h ILE 99 N 0.37 0.37 0.05 5.08 6.09 -1.97 -1.88 117.51 125.62 1ur6 h ILE 99 Ca -0.46 0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.04 1ur6 h ILE 99 Cb 1.19 0.96 -0.02 0.00 0.47 0.00 0.00 36.82 39.42 1ur6 h ILE 99 CO 0.61 0.00 -0.11 0.28 -3.07 0.00 0.00 178.15 175.86 1ur6 h SER 100 N 0.00 -0.30 0.03 2.19 0.02 -1.95 0.59 113.55 114.13 1ur6 h SER 100 Ca 0.02 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1ur6 h SER 100 Cb 0.11 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1ur6 h SER 100 CO -0.00 -0.16 -0.26 0.50 -1.14 0.00 0.00 176.83 175.77 1ur6 h LYS 101 N -0.21 0.37 -0.03 3.45 1.63 -1.73 0.13 116.57 120.17 1ur6 h LYS 101 Ca 0.02 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1ur6 h LYS 101 Cb 0.23 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1ur6 h LYS 101 CO -0.07 0.61 0.01 0.28 -3.45 0.00 0.00 179.45 176.82 1ur6 h VAL 102 N 0.33 1.15 -0.22 2.00 2.07 -1.15 -1.31 116.25 119.10 1ur6 h VAL 102 Ca 0.05 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 1ur6 h VAL 102 Cb 0.64 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1ur6 h VAL 102 CO 0.05 0.12 -0.38 -0.07 0.02 0.00 0.00 177.57 177.31 1ur6 h LEU 103 N -0.13 0.53 -1.73 2.57 3.38 -0.71 -2.63 115.31 116.59 1ur6 h LEU 103 Ca 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1ur6 h LEU 103 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ur6 h LEU 103 CO -0.00 0.86 -0.00 -0.07 0.09 0.00 0.00 178.44 179.31 1ur6 h LEU 104 N 0.42 0.14 -1.18 1.67 3.38 -0.55 -0.58 115.31 118.62 1ur6 h LEU 104 Ca 0.04 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1ur6 h LEU 104 Cb 0.85 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1ur6 h LEU 104 CO 0.07 0.18 -0.36 0.28 0.09 0.00 0.00 178.44 178.70 1ur6 h SER 105 N 0.16 0.09 -0.55 -0.43 0.02 -0.85 -1.65 113.55 110.33 1ur6 h SER 105 Ca 0.04 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 1ur6 h SER 105 Cb 0.12 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1ur6 h SER 105 CO 0.00 0.45 -0.08 0.40 -1.14 0.00 0.00 176.83 176.46 1ur6 h ILE 106 N 0.08 1.27 -0.66 3.27 2.04 -1.08 0.85 117.51 123.28 1ur6 h ILE 106 Ca 0.01 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 1ur6 h ILE 106 Cb 0.68 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1ur6 h ILE 106 CO 0.05 0.44 0.32 0.00 0.00 0.00 0.00 178.15 178.95 1ur6 h SER 108 N 0.91 0.68 0.63 0.00 0.02 -1.00 -1.84 113.55 112.96 1ur6 h SER 108 Ca 0.23 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1ur6 h SER 108 Cb 0.12 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1ur6 h SER 108 CO -0.03 0.81 -0.19 0.25 -1.14 0.00 0.00 176.83 176.53 1ur6 h LEU 109 N 0.64 0.00 -0.27 5.07 5.85 -0.21 -2.25 115.31 124.14 1ur6 h LEU 109 Ca 0.11 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.63 1ur6 h LEU 109 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1ur6 h LEU 109 CO 0.03 0.19 -0.76 -0.07 -0.34 0.00 0.00 178.44 177.50 1ur6 h LEU 110 N 0.00 0.75 -8.29 2.25 4.07 -0.35 -3.27 115.31 110.48 1ur6 h LEU 110 Ca -0.00 -0.49 -0.47 0.00 0.08 0.00 0.00 57.88 57.00 1ur6 h LEU 110 Cb 0.56 -0.22 -0.06 0.00 1.08 0.00 0.00 40.66 42.01 1ur6 h LEU 110 CO 0.02 1.26 1.14 0.00 -1.08 0.00 0.00 178.44 179.79 1ur6 n ASP 112 N 11.51 -6.80 -4.08 0.00 2.03 -1.26 -4.95 116.55 113.00 1ur6 n ASP 112 Ca 0.26 1.04 -0.29 0.00 0.52 0.00 0.00 54.79 56.33 1ur6 n ASP 112 Cb 0.50 -4.47 0.26 0.00 -0.72 0.00 0.00 41.12 36.69 1ur6 n ASP 112 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1ur6 n PRO 113 N 0.43 -3.10 -4.32 -0.67 -0.02 -1.23 -4.90 135.00 121.18 1ur6 n PRO 113 Ca 0.01 -0.90 -0.35 0.00 -2.02 0.00 0.00 63.50 60.25 1ur6 n PRO 113 Cb 0.05 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 1ur6 n PRO 113 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ur6 s ASN 114 N -2.46 5.20 0.00 2.55 3.84 -1.26 -4.99 114.94 117.82 1ur6 s ASN 114 Ca 0.65 0.07 0.06 0.00 0.21 0.00 0.00 52.86 53.85 1ur6 s ASN 114 Cb -0.19 -1.63 0.34 0.00 -0.55 0.00 0.00 41.25 39.22 1ur6 s ASN 114 CO 0.62 0.30 0.89 -2.65 -2.79 0.00 0.00 177.10 173.47 1ur6 n PRO 115 N 2.69 0.15 -2.15 0.43 -0.02 -1.26 -4.59 135.00 130.25 1ur6 n PRO 115 Ca -0.18 0.08 -0.36 0.00 -2.02 0.00 0.00 63.50 61.02 1ur6 n PRO 115 Cb 0.53 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.48 1ur6 n PRO 115 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ur6 s ASP 116 N -2.19 5.44 0.04 2.55 2.15 -1.26 -4.73 116.67 118.68 1ur6 s ASP 116 Ca 0.08 -0.17 -0.31 0.00 0.43 0.00 0.00 52.55 52.59 1ur6 s ASP 116 Cb 0.04 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 40.05 1ur6 s ASP 116 CO 0.08 -2.34 1.36 1.51 -0.17 0.00 0.00 175.17 175.61 1ur6 s ASP 117 N 7.27 6.88 0.00 -0.34 -4.77 -1.26 -4.84 116.67 119.61 1ur6 s ASP 117 Ca 0.62 2.16 0.00 0.00 -3.30 0.00 0.00 52.55 52.03 1ur6 s ASP 117 Cb -0.09 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 1ur6 s ASP 117 CO 0.12 -0.66 0.00 -0.81 0.70 0.00 0.00 175.17 174.52 1ur6 n PRO 118 N 4.70 1.91 -0.04 2.11 -0.05 -1.26 -4.88 135.00 137.49 1ur6 n PRO 118 Ca 0.12 0.00 -0.10 0.00 -0.05 0.00 0.00 63.50 63.47 1ur6 n PRO 118 Cb 0.44 0.00 -0.04 0.00 -0.05 0.00 0.00 33.50 33.85 1ur6 n PRO 118 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 1ur6 h LEU 119 N 0.00 0.23 -8.24 1.53 5.85 -1.95 -3.36 115.31 109.37 1ur6 h LEU 119 Ca 0.00 -0.03 -0.74 0.00 0.84 0.00 0.00 57.88 57.94 1ur6 h LEU 119 Cb 0.00 -0.06 -0.23 0.00 0.37 0.00 0.00 40.66 40.74 1ur6 h LEU 119 CO 0.00 0.19 -0.31 -0.69 -0.34 0.00 0.00 178.44 177.29 1ur6 s VAL 120 N -6.06 5.16 0.11 1.05 1.01 -1.26 -4.94 120.40 115.47 1ur6 s VAL 120 Ca -0.13 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 60.70 1ur6 s VAL 120 Cb 0.08 -4.14 -0.22 0.00 0.00 0.00 0.00 36.38 32.10 1ur6 s VAL 120 CO 0.69 -0.65 1.26 -0.65 0.00 0.00 0.00 175.10 175.76 1ur6 h PRO 121 N 8.76 0.07 -0.60 2.72 0.11 -1.90 -3.37 132.00 137.79 1ur6 h PRO 121 Ca -0.28 -0.11 0.12 0.00 0.11 0.00 0.00 66.00 65.83 1ur6 h PRO 121 Cb 1.11 0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.15 1ur6 h PRO 121 CO 0.91 1.04 -0.08 1.05 -0.21 0.00 0.00 178.00 180.71 1ur6 h GLU 122 N 0.02 0.05 0.00 1.05 4.11 -1.95 0.40 114.58 118.25 1ur6 h GLU 122 Ca -0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1ur6 h GLU 122 Cb 1.79 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1ur6 h GLU 122 CO 0.15 0.03 0.00 -0.84 0.07 0.00 0.00 179.01 178.42 1ur6 h ILE 123 N 0.05 0.00 0.00 -1.06 3.07 -1.88 -2.59 117.51 115.09 1ur6 h ILE 123 Ca 0.30 -0.32 -0.36 0.00 1.55 0.00 0.00 64.86 66.02 1ur6 h ILE 123 Cb 0.47 1.17 -0.07 0.00 -0.27 0.00 0.00 36.82 38.13 1ur6 h ILE 123 CO -0.57 0.00 -2.37 0.00 -1.05 0.00 0.00 178.15 174.16 1ur6 n ALA 124 N -1.92 1.48 0.18 0.16 0.00 0.04 -3.84 120.51 116.60 1ur6 n ALA 124 Ca 0.01 -1.07 0.04 0.00 0.00 0.00 0.00 53.44 52.42 1ur6 n ALA 124 Cb 0.24 -0.08 0.31 0.00 0.00 0.00 0.00 19.45 19.93 1ur6 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ur6 h ARG 125 N 0.00 0.00 0.00 0.00 3.08 -0.29 -2.55 114.38 114.61 1ur6 h ARG 125 Ca -0.54 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.42 1ur6 h ARG 125 Cb 1.89 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.93 1ur6 h ARG 125 CO -0.07 0.42 -0.45 -0.84 -1.07 0.00 0.00 179.97 177.96 1ur6 h ILE 126 N 0.00 1.18 -0.08 2.04 3.07 -1.68 -2.67 117.51 119.36 1ur6 h ILE 126 Ca -0.00 -1.63 -0.18 0.00 1.55 0.00 0.00 64.86 64.60 1ur6 h ILE 126 Cb 0.90 1.91 -0.00 0.00 -0.27 0.00 0.00 36.82 39.35 1ur6 h ILE 126 CO 0.06 0.44 -0.72 0.22 -1.05 0.00 0.00 178.15 177.10 1ur6 h TYR 127 N 0.00 0.57 0.00 0.16 3.20 -1.62 -1.32 116.97 117.95 1ur6 h TYR 127 Ca -0.00 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1ur6 h TYR 127 Cb 0.88 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1ur6 h TYR 127 CO 0.00 1.00 0.00 -0.22 -1.64 0.00 0.00 178.16 177.30 1ur6 h LYS 128 N 0.29 0.00 0.05 1.82 3.64 -1.22 -3.20 116.57 117.95 1ur6 h LYS 128 Ca -0.03 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.97 1ur6 h LYS 128 Cb 1.30 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.07 1ur6 h LYS 128 CO 0.12 0.00 -2.28 0.25 -2.27 0.00 0.00 179.45 175.28 1ur6 n THR 129 N -2.76 1.61 -3.68 1.00 -2.24 -1.03 -4.99 114.28 102.19 1ur6 n THR 129 Ca 0.02 -0.61 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 1ur6 n THR 129 Cb 0.34 -1.53 -0.09 0.00 -2.10 0.00 0.00 70.33 66.95 1ur6 n THR 129 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ur6 s ASP 130 N -6.71 -0.63 -0.02 3.42 2.15 -0.51 -5.08 116.67 109.29 1ur6 s ASP 130 Ca -0.29 1.13 -0.18 0.00 0.43 0.00 0.00 52.55 53.63 1ur6 s ASP 130 Cb 0.08 1.09 -0.10 0.00 -0.30 0.00 0.00 42.92 43.69 1ur6 s ASP 130 CO 0.67 -0.20 0.79 0.03 -0.17 0.00 0.00 175.17 176.29 1ur6 h ARG 131 N 6.01 -0.63 0.00 4.34 2.47 -1.82 -3.28 114.38 121.47 1ur6 h ARG 131 Ca -0.30 0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.45 1ur6 h ARG 131 Cb 1.18 0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 29.65 1ur6 h ARG 131 CO 0.19 -0.42 -0.03 0.93 0.56 0.00 0.00 179.97 181.20 1ur6 h GLU 132 N -1.10 0.00 -0.96 0.04 4.39 -1.94 0.16 114.58 115.17 1ur6 h GLU 132 Ca -0.07 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.70 1ur6 h GLU 132 Cb 0.50 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 1ur6 h GLU 132 CO 0.11 0.03 0.62 -0.22 -1.16 0.00 0.00 179.01 178.39 1ur6 h LYS 133 N 0.00 1.06 0.00 2.33 3.64 -1.89 0.83 116.57 122.54 1ur6 h LYS 133 Ca -0.00 -0.06 -0.27 0.00 -1.27 0.00 0.00 60.65 59.05 1ur6 h LYS 133 Cb 0.06 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 31.59 1ur6 h LYS 133 CO 0.00 0.70 -1.99 2.48 -2.27 0.00 0.00 179.45 178.37 1ur6 n TYR 134 N -4.50 0.43 -0.16 1.91 0.18 -0.74 -4.33 117.16 109.95 1ur6 n TYR 134 Ca 0.15 0.15 -0.08 0.00 1.88 0.00 0.00 57.90 60.00 1ur6 n TYR 134 Cb 0.21 -1.00 0.01 0.00 -0.38 0.00 0.00 39.34 38.17 1ur6 n TYR 134 CO 0.00 0.00 0.00 -0.91 -2.08 0.00 0.00 176.86 173.87 1ur6 h ASN 135 N 0.00 0.59 -0.60 9.48 2.35 -0.22 0.47 115.58 127.65 1ur6 h ASN 135 Ca -0.35 -0.08 0.06 0.00 -0.55 0.00 0.00 56.30 55.38 1ur6 h ASN 135 Cb 1.92 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 40.11 1ur6 h ASN 135 CO 0.04 0.50 0.40 0.08 -1.65 0.00 0.00 177.43 176.80 1ur6 h ARG 136 N 0.63 0.57 0.00 0.81 0.11 -1.04 -0.33 114.38 115.12 1ur6 h ARG 136 Ca 0.17 -0.03 -0.25 0.00 0.10 0.00 0.00 59.98 59.96 1ur6 h ARG 136 Cb 0.04 -0.13 -0.04 0.00 1.11 0.00 0.00 29.97 30.94 1ur6 h ARG 136 CO -0.03 0.38 -1.55 0.97 0.10 0.00 0.00 179.97 179.84 1ur6 h ILE 137 N 0.59 0.85 -0.30 0.08 6.09 -1.70 -3.29 117.51 119.83 1ur6 h ILE 137 Ca 0.26 -2.61 -0.04 0.00 -1.37 0.00 0.00 64.86 61.10 1ur6 h ILE 137 Cb 0.27 2.38 -0.01 0.00 0.47 0.00 0.00 36.82 39.93 1ur6 h ILE 137 CO -0.08 0.49 0.03 0.00 -3.07 0.00 0.00 178.15 175.52 1ur6 h ALA 138 N 1.10 0.40 0.00 0.18 0.00 -0.11 0.38 119.26 121.20 1ur6 h ALA 138 Ca -0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ur6 h ALA 138 Cb 1.89 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1ur6 h ALA 138 CO 0.08 0.11 0.00 0.07 0.00 0.00 0.00 179.25 179.51 1ur6 h ARG 139 N 0.32 0.00 0.04 0.00 0.11 -1.04 -2.01 114.38 111.79 1ur6 h ARG 139 Ca 0.09 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.84 1ur6 h ARG 139 Cb 0.37 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.41 1ur6 h ARG 139 CO 0.01 0.00 -1.84 -1.91 0.10 0.00 0.00 179.97 176.33 1ur6 n GLU 140 N -2.52 0.64 -0.19 0.08 4.07 -0.97 -3.94 120.64 117.80 1ur6 n GLU 140 Ca 0.02 0.38 -0.04 0.00 -0.06 0.00 0.00 57.16 57.46 1ur6 n GLU 140 Cb 0.25 -1.67 0.06 0.00 -0.06 0.00 0.00 31.44 30.02 1ur6 n GLU 140 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 1ur6 h TRP 141 N -0.57 0.61 -0.87 4.31 2.91 -0.14 -0.79 115.95 121.40 1ur6 h TRP 141 Ca -0.46 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.56 1ur6 h TRP 141 Cb 1.64 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 30.06 1ur6 h TRP 141 CO 0.05 0.33 0.48 1.79 -1.03 0.00 0.00 178.44 180.06 1ur6 h THR 142 N 0.64 1.25 -0.29 2.65 1.35 -1.57 -1.33 112.91 115.62 1ur6 h THR 142 Ca 0.24 -0.62 -0.16 0.00 -0.55 0.00 0.00 66.41 65.32 1ur6 h THR 142 Cb 0.07 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 66.56 1ur6 h THR 142 CO -0.12 0.28 -0.44 -0.61 -0.25 0.00 0.00 175.52 174.37 1ur6 h GLN 143 N 1.21 0.81 -0.25 4.72 4.15 -1.55 -1.72 115.11 122.48 1ur6 h GLN 143 Ca 0.31 -0.49 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 1ur6 h GLN 143 Cb 0.02 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1ur6 h GLN 143 CO -0.05 1.12 0.12 0.87 -1.93 0.00 0.00 178.83 178.96 1ur6 h LYS 144 N 0.58 0.36 0.00 1.69 1.79 -0.85 -2.81 116.57 117.33 1ur6 h LYS 144 Ca 0.03 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 1ur6 h LYS 144 Cb 1.04 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 1ur6 h LYS 144 CO 0.10 0.36 -0.24 1.88 -1.08 0.00 0.00 179.45 180.47 1ur6 h TYR 145 N 0.28 0.00 -0.87 -1.35 -1.99 -1.28 -3.39 116.97 108.37 1ur6 h TYR 145 Ca 0.09 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.26 1ur6 h TYR 145 Cb 0.12 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 38.77 1ur6 h TYR 145 CO -0.02 0.24 1.65 0.00 -0.00 0.00 0.00 178.16 180.03 1ur6 s ALA 146 N -3.45 2.71 -1.96 3.88 0.00 -0.65 -4.82 121.76 117.47 1ur6 s ALA 146 Ca 0.02 -2.43 0.16 0.00 0.00 0.00 0.00 51.96 49.70 1ur6 s ALA 146 Cb 0.09 -4.60 0.12 0.00 0.00 0.00 0.00 23.12 18.73 1ur6 s ALA 146 CO 0.66 -3.85 1.00 -1.33 0.00 0.00 0.00 175.76 172.23