#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug1 h SER 2 N 0.00 -0.77 -0.32 1.61 0.87 -2.05 0.61 113.55 113.50 1ug1 h SER 2 Ca 0.00 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1ug1 h SER 2 Cb 0.00 0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.08 1ug1 h SER 2 CO 0.00 -0.40 -0.45 0.28 -0.53 0.00 0.00 176.83 175.73 1ug1 h SER 3 N -1.19 -1.46 0.12 6.23 0.02 -2.00 -1.03 113.55 114.24 1ug1 h SER 3 Ca -0.09 0.21 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1ug1 h SER 3 Cb 0.72 0.62 -0.04 0.00 0.14 0.00 0.00 62.40 63.84 1ug1 h SER 3 CO 0.15 -0.39 -0.39 1.23 -1.14 0.00 0.00 176.83 176.29 1ug1 h GLY 4 N -0.39 -0.78 -1.00 -3.77 0.00 -1.97 -2.35 103.07 92.82 1ug1 h GLY 4 Ca 0.11 0.47 0.12 0.00 0.00 0.00 0.00 47.33 48.02 1ug1 h GLY 4 CO -0.52 -0.26 -0.51 0.23 0.00 0.00 0.00 176.54 175.47 1ug1 h SER 5 N -0.62 -1.88 -0.78 0.19 0.87 -0.14 0.94 113.55 112.13 1ug1 h SER 5 Ca 0.03 0.32 0.18 0.00 -1.23 0.00 0.00 61.79 61.09 1ug1 h SER 5 Cb 0.65 0.88 -0.12 0.00 -0.44 0.00 0.00 62.40 63.37 1ug1 h SER 5 CO -0.23 -0.25 0.17 -1.28 -0.53 0.00 0.00 176.83 174.70 1ug1 h SER 6 N -0.00 -0.04 -0.30 6.23 0.87 -0.78 0.93 113.55 120.46 1ug1 h SER 6 Ca 0.23 0.17 0.09 0.00 -1.23 0.00 0.00 61.79 61.05 1ug1 h SER 6 Cb 0.48 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1ug1 h SER 6 CO -0.96 -0.09 0.64 1.23 -0.53 0.00 0.00 176.83 177.12 1ug1 h GLY 7 N 0.23 0.00 0.97 5.77 0.00 0.14 1.45 103.07 111.64 1ug1 h GLY 7 Ca 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.47 1ug1 h GLY 7 CO -0.57 0.00 -1.72 0.00 0.00 0.00 0.00 176.54 174.24 1ug1 h ALA 8 N 1.00 0.56 -0.24 3.60 0.00 0.11 -3.36 119.26 120.93 1ug1 h ALA 8 Ca 0.14 -1.35 -0.07 0.00 0.00 0.00 0.00 54.91 53.63 1ug1 h ALA 8 Cb 1.43 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 1ug1 h ALA 8 CO -0.00 1.41 -0.12 0.77 0.00 0.00 0.00 179.25 181.31 1ug1 h SER 9 N 0.03 0.52 -1.39 0.00 0.02 0.22 -2.68 113.55 110.28 1ug1 h SER 9 Ca -0.30 -0.41 0.40 0.00 -0.84 0.00 0.00 61.79 60.64 1ug1 h SER 9 Cb 2.01 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 64.34 1ug1 h SER 9 CO 0.10 0.82 1.00 -0.07 -1.14 0.00 0.00 176.83 177.53 1ug1 h LEU 10 N 0.23 0.03 -0.49 5.07 4.07 -0.79 1.86 115.31 125.29 1ug1 h LEU 10 Ca 0.05 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 1ug1 h LEU 10 Cb 0.62 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 1ug1 h LEU 10 CO 0.04 -0.00 0.17 -0.07 -1.08 0.00 0.00 178.44 177.49 1ug1 h LEU 11 N 0.02 0.70 0.09 1.67 3.38 -1.63 0.76 115.31 120.31 1ug1 h LEU 11 Ca 0.67 -0.20 -0.20 0.00 0.09 0.00 0.00 57.88 58.24 1ug1 h LEU 11 Cb 2.64 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 43.21 1ug1 h LEU 11 CO -0.04 0.71 -1.01 0.00 0.09 0.00 0.00 178.44 178.19 1ug1 h ALA 12 N 1.02 0.08 0.43 1.53 0.00 0.20 -3.37 119.26 119.15 1ug1 h ALA 12 Ca 0.16 -0.90 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 1ug1 h ALA 12 Cb 0.25 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ug1 h ALA 12 CO -0.01 0.56 -0.32 0.00 0.00 0.00 0.00 179.25 179.48 1ug1 h ARG 13 N -0.50 -0.71 -6.27 0.00 3.08 0.21 -3.43 114.38 106.75 1ug1 h ARG 13 Ca -0.22 0.05 -0.58 0.00 0.07 0.00 0.00 59.98 59.30 1ug1 h ARG 13 Cb 1.57 0.16 -0.09 0.00 0.08 0.00 0.00 29.97 31.69 1ug1 h ARG 13 CO 0.05 -0.48 -0.62 0.71 -1.07 0.00 0.00 179.97 178.56 1ug1 s TYR 14 N -6.04 2.91 0.93 3.04 1.51 0.26 -5.03 117.35 114.93 1ug1 s TYR 14 Ca -0.17 -0.13 -0.13 0.00 -1.01 0.00 0.00 57.07 55.64 1ug1 s TYR 14 Cb 0.05 -1.37 0.15 0.00 -0.11 0.00 0.00 41.96 40.67 1ug1 s TYR 14 CO 0.63 0.54 1.15 -1.25 -1.11 0.00 0.00 175.55 175.50 1ug1 s PRO 15 N -3.21 1.02 0.21 -1.71 0.04 -1.26 -4.13 135.00 125.96 1ug1 s PRO 15 Ca 0.29 0.24 0.08 0.00 0.04 0.00 0.00 61.00 61.65 1ug1 s PRO 15 Cb -0.09 -1.83 0.13 0.00 0.04 0.00 0.00 34.50 32.76 1ug1 s PRO 15 CO 0.20 -2.27 1.48 -1.00 0.04 0.00 0.00 177.00 175.45 1ug1 h PRO 16 N -1.55 0.05 0.00 0.56 0.13 -1.92 -1.33 132.00 127.95 1ug1 h PRO 16 Ca -0.50 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1ug1 h PRO 16 Cb 1.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1ug1 h PRO 16 CO 0.60 0.79 0.00 -0.85 -0.23 0.00 0.00 178.00 178.31 1ug1 n GLU 17 N -3.66 0.47 0.00 0.86 0.28 -1.26 -2.11 120.64 115.21 1ug1 n GLU 17 Ca -0.01 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1ug1 n GLU 17 Cb 0.74 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.11 1ug1 n GLU 17 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ug1 n LYS 18 N -1.18 0.35 -2.93 3.44 5.02 -1.06 -4.99 118.16 116.81 1ug1 n LYS 18 Ca 0.13 -0.66 -0.43 0.00 -2.02 0.00 0.00 58.31 55.33 1ug1 n LYS 18 Cb 0.14 -0.84 -0.05 0.00 -0.02 0.00 0.00 35.03 34.26 1ug1 n LYS 18 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ug1 s LEU 19 N -0.26 4.19 -0.01 -0.35 1.43 -0.53 0.46 118.68 123.62 1ug1 s LEU 19 Ca 0.00 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 1ug1 s LEU 19 Cb 0.00 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 1ug1 s LEU 19 CO 0.00 -0.93 -0.23 -0.36 0.23 0.00 0.00 176.35 175.07 1ug1 s PHE 20 N 3.37 2.03 0.18 0.29 0.08 0.16 -1.86 117.98 122.23 1ug1 s PHE 20 Ca 0.32 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 57.02 1ug1 s PHE 20 Cb -0.12 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1ug1 s PHE 20 CO 0.23 -0.01 0.22 -1.14 -0.10 0.00 0.00 175.22 174.42 1ug1 s GLN 21 N -0.64 3.16 -0.28 0.44 0.74 0.20 -0.94 119.66 122.35 1ug1 s GLN 21 Ca 0.09 -0.78 -0.27 0.00 0.05 0.00 0.00 55.36 54.44 1ug1 s GLN 21 Cb -0.09 -2.78 0.01 0.00 1.10 0.00 0.00 33.01 31.25 1ug1 s GLN 21 CO -0.00 0.48 0.98 0.00 -0.55 0.00 0.00 175.29 176.20 1ug1 s ALA 22 N -1.82 3.59 0.00 1.58 0.00 -0.98 -0.03 121.76 124.10 1ug1 s ALA 22 Ca 0.33 -0.05 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 1ug1 s ALA 22 Cb -0.10 -3.52 -0.18 0.00 0.00 0.00 0.00 23.12 19.32 1ug1 s ALA 22 CO 0.26 -1.22 1.32 0.93 0.00 0.00 0.00 175.76 177.05 1ug1 h GLU 23 N 7.83 -0.11 -5.01 0.00 4.39 -1.24 -3.39 114.58 117.05 1ug1 h GLU 23 Ca -0.21 0.01 -0.41 0.00 0.34 0.00 0.00 59.36 59.09 1ug1 h GLU 23 Cb 1.07 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.60 1ug1 h GLU 23 CO 0.97 0.26 -0.60 1.03 -1.16 0.00 0.00 179.01 179.50 1ug1 s ARG 24 N -4.65 1.54 -0.18 2.33 1.81 -1.26 -4.78 118.95 113.76 1ug1 s ARG 24 Ca -0.15 -1.86 -0.29 0.00 -1.72 0.00 0.00 55.73 51.71 1ug1 s ARG 24 Cb 0.02 -0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 34.01 1ug1 s ARG 24 CO 0.63 -0.29 1.68 -0.80 -0.68 0.00 0.00 175.30 175.85 1ug1 s ASN 25 N -3.40 6.38 0.01 0.23 0.01 -1.26 -3.84 114.94 113.07 1ug1 s ASN 25 Ca 0.36 1.80 -0.16 0.00 -0.71 0.00 0.00 52.86 54.16 1ug1 s ASN 25 Cb 0.08 -2.53 -0.06 0.00 0.41 0.00 0.00 41.25 39.15 1ug1 s ASN 25 CO 0.15 -1.23 0.44 0.12 -1.51 0.00 0.00 177.10 175.06 1ug1 s PHE 26 N 5.15 3.74 -0.12 2.20 2.19 -1.25 -4.96 117.98 124.93 1ug1 s PHE 26 Ca 0.74 1.04 0.02 0.00 0.33 0.00 0.00 56.93 59.06 1ug1 s PHE 26 Cb -0.28 -2.33 -0.00 0.00 -1.31 0.00 0.00 43.02 39.10 1ug1 s PHE 26 CO 0.30 0.63 -0.19 1.21 1.83 0.00 0.00 175.22 179.00 1ug1 s ASN 27 N -1.06 3.51 0.09 6.13 2.47 -1.26 -2.08 114.94 122.74 1ug1 s ASN 27 Ca 0.25 -0.47 -0.31 0.00 0.42 0.00 0.00 52.86 52.75 1ug1 s ASN 27 Cb -0.17 -1.51 -0.10 0.00 -1.45 0.00 0.00 41.25 38.02 1ug1 s ASN 27 CO 0.14 0.14 1.86 0.00 -3.72 0.00 0.00 177.10 175.53 1ug1 s ALA 28 N 0.46 3.71 -0.17 1.71 0.00 -1.26 -4.85 121.76 121.35 1ug1 s ALA 28 Ca -0.13 1.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 1ug1 s ALA 28 Cb -0.17 -3.78 -0.10 0.00 0.00 0.00 0.00 23.12 19.07 1ug1 s ALA 28 CO 0.06 -1.32 -0.17 0.00 0.00 0.00 0.00 175.76 174.32 1ug1 n ALA 29 N 6.24 1.68 -3.02 0.00 0.00 -1.26 -4.95 120.51 119.19 1ug1 n ALA 29 Ca 0.18 -0.72 -0.20 0.00 0.00 0.00 0.00 53.44 52.70 1ug1 n ALA 29 Cb 0.39 0.15 0.06 0.00 0.00 0.00 0.00 19.45 20.04 1ug1 n ALA 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ug1 n GLN 30 N -3.17 0.66 0.12 0.00 3.00 -1.26 -4.99 117.38 111.74 1ug1 n GLN 30 Ca -0.31 -2.59 0.13 0.00 -0.01 0.00 0.00 57.00 54.21 1ug1 n GLN 30 Cb 0.80 -0.21 0.30 0.00 0.00 0.00 0.00 30.24 31.13 1ug1 n GLN 30 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1ug1 h ASP 31 N 0.07 0.00 0.40 1.08 1.82 -2.01 -3.18 116.42 114.61 1ug1 h ASP 31 Ca -0.23 -0.04 -0.25 0.00 -0.39 0.00 0.00 57.03 56.13 1ug1 h ASP 31 Cb 1.04 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.00 1ug1 h ASP 31 CO 0.32 0.02 -1.80 0.18 -1.61 0.00 0.00 179.24 176.35 1ug1 n LEU 32 N -2.43 0.59 -4.76 2.28 4.77 -1.26 -4.92 117.00 111.26 1ug1 n LEU 32 Ca 0.05 0.27 -0.34 0.00 -0.03 0.00 0.00 56.01 55.95 1ug1 n LEU 32 Cb 0.46 0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.79 1ug1 n LEU 32 CO 0.33 0.31 0.78 -1.81 -1.33 0.00 0.00 177.39 175.66 1ug1 s ASP 33 N -5.73 5.21 -0.02 -1.43 1.11 -1.20 -3.25 116.67 111.36 1ug1 s ASP 33 Ca -0.06 2.15 0.00 0.00 0.18 0.00 0.00 52.55 54.83 1ug1 s ASP 33 Cb 0.08 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.53 1ug1 s ASP 33 CO 0.83 -1.57 0.02 0.68 1.18 0.00 0.00 175.17 176.31 1ug1 s VAL 34 N -2.01 0.05 0.51 -1.27 -7.23 -1.26 -4.76 120.40 104.43 1ug1 s VAL 34 Ca 0.71 0.15 -0.21 0.00 -1.81 0.00 0.00 61.98 60.82 1ug1 s VAL 34 Cb -0.24 -0.17 -0.08 0.00 0.56 0.00 0.00 36.38 36.45 1ug1 s VAL 34 CO 0.36 0.11 0.91 -1.20 -0.31 0.00 0.00 175.10 174.98 1ug1 n SER 35 N 4.14 0.71 -1.79 4.85 7.64 -1.26 -4.58 113.62 123.32 1ug1 n SER 35 Ca -0.27 0.90 -0.07 0.00 1.01 0.00 0.00 58.87 60.44 1ug1 n SER 35 Cb 0.50 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 1ug1 n SER 35 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ug1 n LEU 36 N 0.06 0.00 -3.97 -3.43 4.77 -0.88 -4.96 117.00 108.59 1ug1 n LEU 36 Ca 0.11 -1.13 -0.15 0.00 -0.03 0.00 0.00 56.01 54.81 1ug1 n LEU 36 Cb 0.43 0.64 -0.14 0.00 -2.33 0.00 0.00 43.42 42.02 1ug1 n LEU 36 CO 0.53 -0.20 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.23 1ug1 s LEU 37 N 0.00 2.04 0.66 2.23 1.43 -1.26 -3.80 118.68 119.97 1ug1 s LEU 37 Ca 0.14 -0.14 0.38 0.00 -1.03 0.00 0.00 54.13 53.48 1ug1 s LEU 37 Cb 0.01 -0.25 2.06 0.00 0.03 0.00 0.00 46.19 48.03 1ug1 s LEU 37 CO 0.10 0.04 2.18 1.05 0.23 0.00 0.00 176.35 179.94 1ug1 h GLU 38 N 5.86 0.00 0.00 1.70 4.11 -1.75 0.59 114.58 125.09 1ug1 h GLU 38 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1ug1 h GLU 38 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ug1 h GLU 38 CO 0.49 0.00 -0.99 0.41 0.07 0.00 0.00 179.01 178.99 1ug1 n GLY 39 N -1.17 -1.09 3.81 1.06 0.00 -1.26 -4.10 105.19 102.44 1ug1 n GLY 39 Ca -0.02 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1ug1 n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ug1 s ASP 40 N -3.32 6.84 0.21 1.61 1.11 0.20 -4.92 116.67 118.41 1ug1 s ASP 40 Ca 0.06 1.77 0.08 0.00 0.18 0.00 0.00 52.55 54.65 1ug1 s ASP 40 Cb 0.16 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.56 1ug1 s ASP 40 CO 0.83 -0.43 -0.00 -0.22 1.18 0.00 0.00 175.17 176.52 1ug1 s LEU 41 N -3.13 3.26 0.08 1.23 2.96 -1.26 -2.31 118.68 119.52 1ug1 s LEU 41 Ca 0.62 -0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 53.93 1ug1 s LEU 41 Cb -0.12 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1ug1 s LEU 41 CO 0.16 0.05 0.21 0.68 -1.32 0.00 0.00 176.35 176.13 1ug1 s VAL 42 N -1.97 0.13 -0.29 1.68 -7.23 -0.11 -4.64 120.40 107.97 1ug1 s VAL 42 Ca 0.29 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.42 1ug1 s VAL 42 Cb -0.08 -1.24 0.08 0.00 0.56 0.00 0.00 36.38 35.69 1ug1 s VAL 42 CO 0.19 -0.59 -0.03 -0.83 -0.31 0.00 0.00 175.10 173.53 1ug1 s GLY 43 N -2.70 1.65 0.07 2.32 0.00 -1.12 -0.66 107.32 106.88 1ug1 s GLY 43 Ca 0.03 -1.95 -0.37 0.00 0.00 0.00 0.00 44.72 42.43 1ug1 s GLY 43 CO -0.10 0.85 1.09 -0.62 0.00 0.00 0.00 173.10 174.33 1ug1 n VAL 44 N 4.44 0.39 -0.06 1.40 0.31 0.17 -3.29 118.33 121.70 1ug1 n VAL 44 Ca -0.07 -0.10 -0.12 0.00 -0.01 0.00 0.00 64.34 64.05 1ug1 n VAL 44 Cb 0.42 -0.35 -0.04 0.00 -0.91 0.00 0.00 33.84 32.96 1ug1 n VAL 44 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1ug1 n ILE 45 N 1.58 1.14 -4.66 2.52 5.41 0.18 -4.89 119.36 120.65 1ug1 n ILE 45 Ca 0.18 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.71 1ug1 n ILE 45 Cb 0.16 -1.88 -0.15 0.00 -0.71 0.00 0.00 39.64 37.05 1ug1 n ILE 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1ug1 s LYS 46 N -2.42 1.31 -0.19 0.38 3.01 -0.92 -5.00 119.74 115.91 1ug1 s LYS 46 Ca -0.20 -0.49 0.11 0.00 -1.01 0.00 0.00 55.97 54.37 1ug1 s LYS 46 Cb 0.06 -1.21 0.66 0.00 -1.01 0.00 0.00 37.83 36.33 1ug1 s LYS 46 CO 0.27 0.24 1.51 1.63 0.51 0.00 0.00 175.35 179.52 1ug1 n LYS 47 N 2.99 4.11 -3.84 1.68 5.02 -1.26 -1.22 118.16 125.64 1ug1 n LYS 47 Ca -0.16 -2.54 -0.12 0.00 -2.02 0.00 0.00 58.31 53.47 1ug1 n LYS 47 Cb 0.54 -2.12 -0.12 0.00 -0.02 0.00 0.00 35.03 33.32 1ug1 n LYS 47 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ug1 s LYS 48 N -2.42 0.29 0.26 1.97 1.02 -1.26 -4.64 119.74 114.95 1ug1 s LYS 48 Ca 0.44 0.00 0.08 0.00 0.02 0.00 0.00 55.97 56.51 1ug1 s LYS 48 Cb 0.34 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.74 1ug1 s LYS 48 CO 0.13 -0.05 0.16 0.16 -0.92 0.00 0.00 175.35 174.83 1ug1 s ASP 49 N -0.42 5.30 -1.16 2.83 1.47 -1.23 -4.63 116.67 118.81 1ug1 s ASP 49 Ca -0.05 -0.36 -0.07 0.00 1.18 0.00 0.00 52.55 53.25 1ug1 s ASP 49 Cb -0.03 -1.25 -0.07 0.00 -0.34 0.00 0.00 42.92 41.22 1ug1 s ASP 49 CO 0.01 -0.06 2.50 -0.81 0.68 0.00 0.00 175.17 177.49 1ug1 n PRO 50 N -1.14 2.73 0.00 2.11 -0.04 -1.26 -3.00 135.00 134.40 1ug1 n PRO 50 Ca -0.07 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1ug1 n PRO 50 Cb 0.58 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1ug1 n PRO 50 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1ug1 n MET 51 N 3.87 0.00 0.00 0.54 2.81 -1.26 -5.09 117.12 117.99 1ug1 n MET 51 Ca 0.58 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.47 1ug1 n MET 51 Cb 0.20 -0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.71 1ug1 n MET 51 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ug1 n GLY 52 N -1.44 0.57 3.64 3.03 0.00 -1.16 -5.17 105.19 104.66 1ug1 n GLY 52 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 1ug1 n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ug1 s SER 53 N 0.00 -0.51 0.00 1.61 0.15 -1.26 -5.01 113.70 108.67 1ug1 s SER 53 Ca 0.00 0.88 0.26 0.00 0.70 0.00 0.00 55.95 57.79 1ug1 s SER 53 Cb 0.00 1.09 0.92 0.00 -1.71 0.00 0.00 66.02 66.32 1ug1 s SER 53 CO 0.00 -0.14 1.66 0.00 1.20 0.00 0.00 173.24 175.96 1ug1 n GLN 54 N 3.17 1.73 -0.12 5.44 0.00 -1.26 -3.58 117.38 122.76 1ug1 n GLN 54 Ca -0.16 -1.07 -0.12 0.00 0.00 0.00 0.00 57.00 55.65 1ug1 n GLN 54 Cb 0.57 -1.46 -0.02 0.00 0.00 0.00 0.00 30.24 29.33 1ug1 n GLN 54 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1ug1 h ASN 55 N 2.46 0.75 -3.31 2.61 4.21 -1.95 -3.42 115.58 116.93 1ug1 h ASN 55 Ca 0.00 -0.38 -0.62 0.00 1.21 0.00 0.00 56.30 56.50 1ug1 h ASN 55 Cb 0.53 -0.21 -0.18 0.00 -1.12 0.00 0.00 38.32 37.35 1ug1 h ASN 55 CO 0.00 0.97 -0.59 -0.60 -1.29 0.00 0.00 177.43 175.92 1ug1 s ARG 56 N -4.71 3.89 0.28 0.81 3.52 -1.25 -2.80 118.95 118.69 1ug1 s ARG 56 Ca -0.13 -0.39 0.11 0.00 -0.13 0.00 0.00 55.73 55.20 1ug1 s ARG 56 Cb 0.10 -3.15 -0.05 0.00 -1.56 0.00 0.00 34.95 30.28 1ug1 s ARG 56 CO 0.82 0.24 -0.19 -1.58 -0.81 0.00 0.00 175.30 173.78 1ug1 s TRP 57 N 0.44 2.24 -0.28 5.12 0.51 0.22 -3.87 118.94 123.32 1ug1 s TRP 57 Ca 0.02 -0.37 -0.11 0.00 -2.12 0.00 0.00 56.10 53.52 1ug1 s TRP 57 Cb -0.13 -1.00 -0.05 0.00 -0.81 0.00 0.00 33.47 31.48 1ug1 s TRP 57 CO 0.01 0.67 0.18 -1.17 -0.51 0.00 0.00 176.95 176.13 1ug1 s LEU 58 N -3.50 3.96 0.38 2.99 2.96 -0.35 -1.98 118.68 123.13 1ug1 s LEU 58 Ca 0.29 -0.03 0.07 0.00 -0.22 0.00 0.00 54.13 54.24 1ug1 s LEU 58 Cb -0.04 -2.10 -0.07 0.00 0.50 0.00 0.00 46.19 44.48 1ug1 s LEU 58 CO 0.14 -0.05 -0.00 0.27 -1.32 0.00 0.00 176.35 175.40 1ug1 s ILE 59 N 1.74 1.87 -0.12 6.68 -5.25 -0.57 0.51 121.20 126.05 1ug1 s ILE 59 Ca 0.07 -2.04 0.01 0.00 -0.99 0.00 0.00 60.65 57.71 1ug1 s ILE 59 Cb -0.16 -2.88 0.02 0.00 2.95 0.00 0.00 42.46 42.39 1ug1 s ILE 59 CO 0.10 -0.05 -0.16 -0.62 -1.79 0.00 0.00 174.94 172.43 1ug1 s ASP 60 N -3.64 2.58 -0.19 4.36 -1.08 -1.21 -2.19 116.67 115.30 1ug1 s ASP 60 Ca 0.35 -0.46 0.07 0.00 -0.52 0.00 0.00 52.55 51.98 1ug1 s ASP 60 Cb 0.08 -1.15 0.48 0.00 -1.46 0.00 0.00 42.92 40.86 1ug1 s ASP 60 CO 0.17 0.01 1.37 -0.46 0.52 0.00 0.00 175.17 176.78 1ug1 n ASN 61 N 4.32 3.78 -1.18 -0.34 0.23 -1.25 -2.77 115.26 118.05 1ug1 n ASN 61 Ca -0.19 -2.71 -0.12 0.00 -0.53 0.00 0.00 54.58 51.03 1ug1 n ASN 61 Cb 0.51 -0.65 -0.02 0.00 -2.08 0.00 0.00 39.78 37.54 1ug1 n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ug1 n GLY 62 N 0.08 0.39 2.01 4.83 0.00 -1.26 -4.78 105.19 106.46 1ug1 n GLY 62 Ca 0.24 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1ug1 n GLY 62 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ug1 n VAL 63 N -3.52 0.00 -2.05 1.61 0.31 -1.26 -5.08 118.33 108.33 1ug1 n VAL 63 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1ug1 n VAL 63 Cb 0.53 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1ug1 n VAL 63 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1ug1 n THR 64 N -3.46 0.00 -4.08 2.52 5.66 -1.26 -5.15 114.28 108.51 1ug1 n THR 64 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1ug1 n THR 64 Cb 0.00 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.62 1ug1 n THR 64 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1ug1 s LYS 65 N 1.91 2.26 0.15 1.09 1.02 -1.26 -3.82 119.74 121.09 1ug1 s LYS 65 Ca 0.00 -0.55 0.07 0.00 0.02 0.00 0.00 55.97 55.51 1ug1 s LYS 65 Cb 0.00 -2.06 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1ug1 s LYS 65 CO 0.00 -0.21 -0.16 0.20 -0.92 0.00 0.00 175.35 174.26 1ug1 s GLY 66 N 1.42 1.25 -0.18 -3.33 0.00 -0.93 -4.88 107.32 100.67 1ug1 s GLY 66 Ca 0.03 -1.41 -0.03 0.00 0.00 0.00 0.00 44.72 43.32 1ug1 s GLY 66 CO -0.09 -1.46 -0.07 -1.36 0.00 0.00 0.00 173.10 170.12 1ug1 s PHE 67 N -2.12 2.93 0.29 1.90 0.40 -1.20 -1.51 117.98 118.67 1ug1 s PHE 67 Ca 0.13 -0.72 0.04 0.00 -0.60 0.00 0.00 56.93 55.78 1ug1 s PHE 67 Cb -0.05 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 1ug1 s PHE 67 CO 0.05 -0.34 0.20 0.14 0.70 0.00 0.00 175.22 175.97 1ug1 s VAL 68 N 0.90 0.10 -0.10 -0.44 -7.23 -0.84 -4.46 120.40 108.33 1ug1 s VAL 68 Ca -0.01 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.02 1ug1 s VAL 68 Cb -0.15 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 1ug1 s VAL 68 CO 0.01 0.00 0.32 -0.31 -0.31 0.00 0.00 175.10 174.81 1ug1 s TYR 69 N -3.70 3.56 0.63 2.82 2.02 -1.26 -0.61 117.35 120.82 1ug1 s TYR 69 Ca 0.39 0.73 0.24 0.00 -0.37 0.00 0.00 57.07 58.06 1ug1 s TYR 69 Cb 0.04 -2.29 1.24 0.00 -0.40 0.00 0.00 41.96 40.55 1ug1 s TYR 69 CO 0.20 0.42 1.70 0.66 -1.57 0.00 0.00 175.55 176.95 1ug1 h SER 70 N 5.87 0.00 -0.68 2.29 4.64 -1.83 0.66 113.55 124.50 1ug1 h SER 70 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 1ug1 h SER 70 Cb 1.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1ug1 h SER 70 CO 0.69 0.00 0.30 0.28 -0.87 0.00 0.00 176.83 177.23 1ug1 h SER 71 N 0.00 0.91 0.43 4.97 0.02 -1.92 -1.11 113.55 116.86 1ug1 h SER 71 Ca 0.13 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1ug1 h SER 71 Cb 1.31 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1ug1 h SER 71 CO -0.00 0.81 0.00 0.49 -1.14 0.00 0.00 176.83 176.99 1ug1 n PHE 72 N -4.42 0.00 -4.42 3.45 3.72 0.23 -4.76 117.46 111.26 1ug1 n PHE 72 Ca 0.05 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.15 1ug1 n PHE 72 Cb 0.15 -0.22 -0.11 0.00 -0.94 0.00 0.00 39.48 38.36 1ug1 n PHE 72 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ug1 s LEU 73 N -2.44 2.81 0.04 4.37 1.43 -0.42 -0.91 118.68 123.56 1ug1 s LEU 73 Ca 0.32 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1ug1 s LEU 73 Cb 0.20 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 1ug1 s LEU 73 CO 0.43 0.21 -0.11 -1.59 0.23 0.00 0.00 176.35 175.52 1ug1 s LYS 74 N -1.85 0.72 -0.46 1.70 0.00 0.96 -4.84 119.74 115.97 1ug1 s LYS 74 Ca 0.18 -0.73 -0.28 0.00 0.00 0.00 0.00 55.97 55.13 1ug1 s LYS 74 Cb -0.11 -0.65 0.01 0.00 0.00 0.00 0.00 37.83 37.08 1ug1 s LYS 74 CO 0.09 0.15 1.44 -1.25 0.00 0.00 0.00 175.35 175.78 1ug1 s PRO 75 N -1.28 3.46 1.25 1.78 0.04 -1.26 0.63 135.00 139.60 1ug1 s PRO 75 Ca -0.03 0.80 -0.19 0.00 0.04 0.00 0.00 61.00 61.63 1ug1 s PRO 75 Cb -0.08 -4.07 0.28 0.00 0.04 0.00 0.00 34.50 30.66 1ug1 s PRO 75 CO 0.01 -1.72 0.62 0.98 0.04 0.00 0.00 177.00 176.93 1ug1 n TYR 76 N 9.21 -2.83 -3.15 0.56 9.36 -0.78 -4.91 117.16 124.63 1ug1 n TYR 76 Ca 0.16 -0.38 0.04 0.00 3.32 0.00 0.00 57.90 61.04 1ug1 n TYR 76 Cb 0.48 -1.41 -0.00 0.00 -0.63 0.00 0.00 39.34 37.78 1ug1 n TYR 76 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ug1 s ASN 77 N -2.50 -1.47 0.00 2.98 3.84 -1.26 -5.00 114.94 111.54 1ug1 s ASN 77 Ca 0.55 0.09 0.19 0.00 0.21 0.00 0.00 52.86 53.89 1ug1 s ASN 77 Cb -0.11 1.92 1.13 0.00 -0.55 0.00 0.00 41.25 43.63 1ug1 s ASN 77 CO 0.49 -0.26 1.58 -0.81 -2.79 0.00 0.00 177.10 175.31 1ug1 n PRO 78 N 5.28 0.75 -1.54 0.43 -0.04 -1.26 -4.75 135.00 133.87 1ug1 n PRO 78 Ca 0.06 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.29 1ug1 n PRO 78 Cb 0.55 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 1ug1 n PRO 78 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ug1 n ARG 79 N -0.89 0.52 0.00 0.54 0.63 -1.26 -4.72 116.66 111.47 1ug1 n ARG 79 Ca 0.14 -0.42 0.00 0.00 -0.92 0.00 0.00 57.85 56.65 1ug1 n ARG 79 Cb 0.06 -2.93 0.00 0.00 0.45 0.00 0.00 32.46 30.04 1ug1 n ARG 79 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1ug1 n ARG 80 N 8.21 0.00 -3.34 -0.14 0.63 -1.26 -5.10 116.66 115.66 1ug1 n ARG 80 Ca 0.50 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 56.98 1ug1 n ARG 80 Cb 0.37 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.23 1ug1 n ARG 80 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1ug1 s SER 81 N 0.00 6.30 0.17 6.15 0.15 -1.26 -5.01 113.70 120.21 1ug1 s SER 81 Ca 0.00 -2.06 -0.13 0.00 0.70 0.00 0.00 55.95 54.46 1ug1 s SER 81 Cb 0.00 -2.19 0.01 0.00 -1.71 0.00 0.00 66.02 62.13 1ug1 s SER 81 CO 0.00 -0.77 0.40 -1.38 1.20 0.00 0.00 173.24 172.70 1ug1 s HIS 82 N 1.17 0.10 0.40 3.44 -3.43 -1.26 -5.17 115.29 110.55 1ug1 s HIS 82 Ca 0.07 -0.46 -0.07 0.00 -0.80 0.00 0.00 55.06 53.81 1ug1 s HIS 82 Cb -0.24 0.18 -0.05 0.00 -1.43 0.00 0.00 32.58 31.04 1ug1 s HIS 82 CO -0.01 -0.81 0.71 -1.54 -2.00 0.00 0.00 174.74 171.10 1ug1 s SER 83 N -2.91 6.41 0.16 7.38 1.04 -1.26 -5.09 113.70 119.43 1ug1 s SER 83 Ca 0.12 0.92 -0.24 0.00 0.48 0.00 0.00 55.95 57.23 1ug1 s SER 83 Cb 0.01 -2.24 0.06 0.00 0.10 0.00 0.00 66.02 63.95 1ug1 s SER 83 CO -0.03 -0.40 0.88 1.51 0.98 0.00 0.00 173.24 176.19 1ug1 s ASP 84 N -3.52 -0.24 0.75 7.02 -4.77 -1.26 -5.18 116.67 109.48 1ug1 s ASP 84 Ca 0.47 -0.38 -0.05 0.00 -3.30 0.00 0.00 52.55 49.29 1ug1 s ASP 84 Cb -0.10 0.53 0.11 0.00 -1.09 0.00 0.00 42.92 42.37 1ug1 s ASP 84 CO 0.36 -0.97 1.04 0.00 0.70 0.00 0.00 175.17 176.30 1ug1 s ALA 85 N -3.43 3.26 0.24 2.11 0.00 -1.26 -4.99 121.76 117.69 1ug1 s ALA 85 Ca 0.11 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1ug1 s ALA 85 Cb -0.02 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1ug1 s ALA 85 CO 0.01 -1.53 0.00 0.45 0.00 0.00 0.00 175.76 174.69 1ug1 n SER 86 N -3.00 -2.17 -0.37 0.00 2.88 -1.26 -4.99 113.62 104.72 1ug1 n SER 86 Ca 0.12 0.61 -0.10 0.00 -1.33 0.00 0.00 58.87 58.17 1ug1 n SER 86 Cb 0.60 2.21 -0.09 0.00 -0.75 0.00 0.00 64.21 66.19 1ug1 n SER 86 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ug1 n SER 87 N -3.08 -0.93 -0.22 -3.46 7.64 -1.26 -4.83 113.62 107.48 1ug1 n SER 87 Ca 0.00 1.66 0.00 0.00 1.01 0.00 0.00 58.87 61.54 1ug1 n SER 87 Cb 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1ug1 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug1 n GLY 88 N -1.22 0.00 3.67 0.23 0.00 -1.26 -4.77 105.19 101.84 1ug1 n GLY 88 Ca 0.02 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1ug1 n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ug1 n PRO 89 N -0.44 -2.19 0.09 1.61 -0.04 -1.26 -5.02 135.00 127.75 1ug1 n PRO 89 Ca 0.00 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.56 1ug1 n PRO 89 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1ug1 n PRO 89 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ug1 n SER 90 N -4.35 -1.39 -1.49 3.54 3.41 -1.26 -5.17 113.62 106.91 1ug1 n SER 90 Ca 0.16 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1ug1 n SER 90 Cb 0.58 1.54 0.00 0.00 -0.26 0.00 0.00 64.21 66.07 1ug1 n SER 90 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ug1 n SER 91 N -2.90 -8.04 0.00 4.04 7.64 -1.26 -5.33 113.62 107.77 1ug1 n SER 91 Ca 0.00 1.67 0.00 0.00 1.01 0.00 0.00 58.87 61.55 1ug1 n SER 91 Cb 0.00 -4.71 0.00 0.00 -1.01 0.00 0.00 64.21 58.49 1ug1 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64