#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug1 s SER 2 N 0.00 4.09 0.00 1.61 1.04 -1.26 -5.00 113.70 114.18 1ug1 s SER 2 Ca 0.00 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 54.92 1ug1 s SER 2 Cb 0.00 -1.20 0.00 0.00 0.10 0.00 0.00 66.02 64.92 1ug1 s SER 2 CO 0.00 -0.31 0.00 -1.20 0.98 0.00 0.00 173.24 172.71 1ug1 n SER 3 N 4.62 0.00 -0.14 7.02 7.64 -1.26 -3.95 113.62 127.55 1ug1 n SER 3 Ca -0.06 0.12 -0.04 0.00 1.01 0.00 0.00 58.87 59.90 1ug1 n SER 3 Cb 0.43 -0.46 0.04 0.00 -1.01 0.00 0.00 64.21 63.21 1ug1 n SER 3 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ug1 h GLY 4 N 0.00 0.49 -0.08 0.23 0.00 -1.96 1.43 103.07 103.18 1ug1 h GLY 4 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.37 1ug1 h GLY 4 CO 0.00 -0.09 -0.28 1.76 0.00 0.00 0.00 176.54 177.93 1ug1 h SER 5 N 0.16 -0.89 -0.34 0.19 0.02 -1.97 -1.13 113.55 109.58 1ug1 h SER 5 Ca 0.22 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1ug1 h SER 5 Cb 0.31 0.35 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1ug1 h SER 5 CO -0.33 -0.24 0.10 0.77 -1.14 0.00 0.00 176.83 175.99 1ug1 h SER 6 N -0.29 0.57 -1.56 3.07 4.64 -1.62 -2.28 113.55 116.07 1ug1 h SER 6 Ca 0.02 -0.08 0.45 0.00 -0.47 0.00 0.00 61.79 61.71 1ug1 h SER 6 Cb 0.34 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.23 1ug1 h SER 6 CO -0.23 0.57 1.17 1.23 -0.87 0.00 0.00 176.83 178.70 1ug1 h GLY 7 N 0.82 0.00 0.98 -0.77 0.00 0.33 1.52 103.07 105.95 1ug1 h GLY 7 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.13 1ug1 h GLY 7 CO -0.00 0.00 -1.62 0.00 0.00 0.00 0.00 176.54 174.92 1ug1 h ALA 8 N 1.12 0.05 -1.05 3.60 0.00 -1.03 -3.31 119.26 118.65 1ug1 h ALA 8 Ca 0.74 -1.04 0.27 0.00 0.00 0.00 0.00 54.91 54.88 1ug1 h ALA 8 Cb 3.08 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 21.14 1ug1 h ALA 8 CO -0.01 0.89 0.67 1.03 0.00 0.00 0.00 179.25 181.83 1ug1 h SER 9 N 0.07 0.45 -0.30 0.00 0.87 0.21 1.28 113.55 116.13 1ug1 h SER 9 Ca -0.31 0.09 0.09 0.00 -1.23 0.00 0.00 61.79 60.42 1ug1 h SER 9 Cb 2.08 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 64.05 1ug1 h SER 9 CO 0.20 0.08 0.46 -0.07 -0.53 0.00 0.00 176.83 176.96 1ug1 h LEU 10 N 0.39 0.00 0.00 2.23 4.07 -1.45 2.51 115.31 123.07 1ug1 h LEU 10 Ca 0.60 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.40 1ug1 h LEU 10 Cb 1.52 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.24 1ug1 h LEU 10 CO -0.31 0.00 -0.82 -0.07 -1.08 0.00 0.00 178.44 176.17 1ug1 h LEU 11 N 0.00 0.00 0.00 1.67 -0.00 0.15 0.27 115.31 117.40 1ug1 h LEU 11 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1ug1 h LEU 11 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 1ug1 h LEU 11 CO -0.00 0.77 -1.45 0.00 -0.00 0.00 0.00 178.44 177.76 1ug1 n ALA 12 N -2.30 3.07 -0.09 1.53 0.00 0.57 -4.48 120.51 118.81 1ug1 n ALA 12 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 1ug1 n ALA 12 Cb 0.85 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 1ug1 n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ug1 n ARG 13 N -2.21 0.51 -3.99 0.00 1.74 0.71 -4.98 116.66 108.44 1ug1 n ARG 13 Ca -0.01 0.46 -0.27 0.00 -0.77 0.00 0.00 57.85 57.27 1ug1 n ARG 13 Cb 0.51 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 1ug1 n ARG 13 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ug1 s TYR 14 N -2.41 3.37 0.94 -1.55 1.51 0.95 -5.04 117.35 115.12 1ug1 s TYR 14 Ca -0.23 0.08 -0.13 0.00 -1.01 0.00 0.00 57.07 55.78 1ug1 s TYR 14 Cb 0.05 -1.62 0.16 0.00 -0.11 0.00 0.00 41.96 40.43 1ug1 s TYR 14 CO 0.37 0.52 1.15 -1.25 -1.11 0.00 0.00 175.55 175.23 1ug1 s PRO 15 N -3.12 0.89 0.33 -1.71 0.04 -1.26 -4.27 135.00 125.90 1ug1 s PRO 15 Ca 0.33 0.19 0.17 0.00 0.04 0.00 0.00 61.00 61.74 1ug1 s PRO 15 Cb -0.11 -1.82 0.45 0.00 0.04 0.00 0.00 34.50 33.06 1ug1 s PRO 15 CO 0.27 -2.35 1.62 -1.00 0.04 0.00 0.00 177.00 175.58 1ug1 h PRO 16 N -1.61 0.00 0.00 0.56 0.13 -1.93 -1.57 132.00 127.58 1ug1 h PRO 16 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ug1 h PRO 16 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ug1 h PRO 16 CO 0.57 0.45 0.00 -0.85 -0.23 0.00 0.00 178.00 177.94 1ug1 n GLU 17 N -3.43 0.58 -0.09 0.86 0.28 -1.26 -2.70 120.64 114.89 1ug1 n GLU 17 Ca 0.00 0.01 0.01 0.00 -0.16 0.00 0.00 57.16 57.03 1ug1 n GLU 17 Cb 0.60 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.99 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 -1.19 1.16 -3.42 3.44 5.02 -1.03 -5.00 118.16 117.14 1ug1 n LYS 18 Ca 0.16 -1.18 -0.43 0.00 -2.02 0.00 0.00 58.31 54.85 1ug1 n LYS 18 Cb 0.18 -0.80 -0.10 0.00 -0.02 0.00 0.00 35.03 34.30 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 -0.71 4.96 0.03 -0.35 1.43 -0.62 1.00 118.68 124.42 1ug1 s LEU 19 Ca 0.04 -0.76 0.08 0.00 -1.03 0.00 0.00 54.13 52.46 1ug1 s LEU 19 Cb 0.04 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1ug1 s LEU 19 CO 0.00 -0.46 -0.24 -0.36 0.23 0.00 0.00 176.35 175.52 1ug1 s PHE 20 N 1.83 2.12 0.17 0.29 0.40 -0.03 -1.53 117.98 121.23 1ug1 s PHE 20 Ca 0.07 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 1ug1 s PHE 20 Cb -0.18 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 1ug1 s PHE 20 CO 0.11 0.08 0.22 -1.14 0.70 0.00 0.00 175.22 175.20 1ug1 s GLN 21 N -1.09 3.17 -0.68 0.44 0.74 0.10 -0.73 119.66 121.61 1ug1 s GLN 21 Ca 0.10 -0.77 -0.26 0.00 0.05 0.00 0.00 55.36 54.48 1ug1 s GLN 21 Cb -0.09 -2.79 0.04 0.00 1.10 0.00 0.00 33.01 31.27 1ug1 s GLN 21 CO 0.01 0.48 1.17 0.00 -0.55 0.00 0.00 175.29 176.41 1ug1 s ALA 22 N -1.81 2.91 0.18 1.58 0.00 -0.95 -1.13 121.76 122.54 1ug1 s ALA 22 Ca 0.33 -1.35 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 1ug1 s ALA 22 Cb -0.10 -4.09 0.12 0.00 0.00 0.00 0.00 23.12 19.05 1ug1 s ALA 22 CO 0.26 -2.99 1.60 0.93 0.00 0.00 0.00 175.76 175.56 1ug1 h GLU 23 N 9.78 -0.16 -4.89 0.00 4.39 -1.44 -3.36 114.58 118.90 1ug1 h GLU 23 Ca -0.27 0.01 -0.35 0.00 0.34 0.00 0.00 59.36 59.09 1ug1 h GLU 23 Cb 1.06 0.04 -0.14 0.00 -0.10 0.00 0.00 28.75 29.60 1ug1 h GLU 23 CO 1.23 -0.11 -0.62 -0.98 -1.16 0.00 0.00 179.01 177.37 1ug1 s ARG 24 N -6.03 1.38 -0.60 2.33 1.70 -1.26 -4.80 118.95 111.67 1ug1 s ARG 24 Ca -0.14 -1.74 -0.26 0.00 -0.47 0.00 0.00 55.73 53.12 1ug1 s ARG 24 Cb 0.16 -0.29 -0.08 0.00 -0.57 0.00 0.00 34.95 34.17 1ug1 s ARG 24 CO 0.69 -0.27 2.30 -0.80 -1.08 0.00 0.00 175.30 176.14 1ug1 s ASN 25 N -3.30 4.48 0.29 -2.89 -0.87 -1.26 -3.96 114.94 107.43 1ug1 s ASN 25 Ca 0.36 0.63 -0.29 0.00 -1.57 0.00 0.00 52.86 51.99 1ug1 s ASN 25 Cb 0.08 -2.52 -0.10 0.00 -0.02 0.00 0.00 41.25 38.69 1ug1 s ASN 25 CO 0.12 -3.02 1.16 0.12 -2.57 0.00 0.00 177.10 172.92 1ug1 s PHE 26 N 12.18 3.43 -0.19 2.20 2.19 -0.49 -4.93 117.98 132.37 1ug1 s PHE 26 Ca 0.90 1.61 -0.01 0.00 0.33 0.00 0.00 56.93 59.76 1ug1 s PHE 26 Cb -0.15 -3.40 0.01 0.00 -1.31 0.00 0.00 43.02 38.17 1ug1 s PHE 26 CO 0.20 -0.94 -0.15 1.21 1.83 0.00 0.00 175.22 177.37 1ug1 s ASN 27 N -0.72 3.55 0.07 6.13 3.84 -1.26 -1.92 114.94 124.63 1ug1 s ASN 27 Ca 0.46 -0.55 -0.35 0.00 0.21 0.00 0.00 52.86 52.64 1ug1 s ASN 27 Cb -0.34 -1.57 -0.14 0.00 -0.55 0.00 0.00 41.25 38.65 1ug1 s ASN 27 CO 0.44 0.01 1.59 0.00 -2.79 0.00 0.00 177.10 176.35 1ug1 n ALA 28 N 4.58 0.69 -0.09 1.71 0.00 -1.26 -4.86 120.51 121.27 1ug1 n ALA 28 Ca -0.20 0.43 -0.16 0.00 0.00 0.00 0.00 53.44 53.51 1ug1 n ALA 28 Cb 0.51 -2.31 -0.07 0.00 0.00 0.00 0.00 19.45 17.57 1ug1 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug1 n ALA 29 N 3.92 1.74 -2.92 0.00 0.00 -1.26 -4.96 120.51 117.03 1ug1 n ALA 29 Ca 0.19 -0.72 -0.17 0.00 0.00 0.00 0.00 53.44 52.74 1ug1 n ALA 29 Cb 0.26 0.19 0.05 0.00 0.00 0.00 0.00 19.45 19.96 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 -3.41 0.60 0.09 0.00 6.02 -1.26 -4.99 117.38 114.43 1ug1 n GLN 30 Ca -0.33 -2.12 0.13 0.00 -0.01 0.00 0.00 57.00 54.67 1ug1 n GLN 30 Cb 0.78 -0.23 0.32 0.00 1.02 0.00 0.00 30.24 32.13 1ug1 n GLN 30 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1ug1 h ASP 31 N -0.03 0.00 0.56 1.08 5.19 -2.00 -3.14 116.42 118.07 1ug1 h ASP 31 Ca -0.20 -0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 56.05 1ug1 h ASP 31 Cb 0.86 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 1ug1 h ASP 31 CO 0.26 0.03 -1.52 0.18 -3.12 0.00 0.00 179.24 175.08 1ug1 n LEU 32 N -2.25 0.57 -4.73 1.55 4.77 -1.26 -4.93 117.00 110.73 1ug1 n LEU 32 Ca 0.05 0.24 -0.30 0.00 -0.03 0.00 0.00 56.01 55.97 1ug1 n LEU 32 Cb 0.44 0.06 0.13 0.00 -2.33 0.00 0.00 43.42 41.72 1ug1 n LEU 32 CO 0.32 0.04 0.67 -1.81 -1.33 0.00 0.00 177.39 175.29 1ug1 s ASP 33 N -5.33 3.53 -0.14 -1.43 1.11 -1.19 -2.27 116.67 110.95 1ug1 s ASP 33 Ca -0.04 1.43 -0.10 0.00 0.18 0.00 0.00 52.55 54.02 1ug1 s ASP 33 Cb 0.10 -2.11 0.04 0.00 1.07 0.00 0.00 42.92 42.02 1ug1 s ASP 33 CO 0.83 -2.59 0.35 0.68 1.18 0.00 0.00 175.17 175.62 1ug1 s VAL 34 N -2.97 -0.01 0.36 -1.27 -7.23 -1.26 -4.80 120.40 103.21 1ug1 s VAL 34 Ca 0.63 0.05 -0.28 0.00 -1.81 0.00 0.00 61.98 60.57 1ug1 s VAL 34 Cb -0.17 -0.51 -0.11 0.00 0.56 0.00 0.00 36.38 36.14 1ug1 s VAL 34 CO 0.57 0.02 1.45 -1.54 -0.31 0.00 0.00 175.10 175.29 1ug1 n SER 35 N 3.51 3.56 -4.00 4.85 3.41 -1.26 -4.42 113.62 119.28 1ug1 n SER 35 Ca -0.18 1.22 -0.09 0.00 -0.26 0.00 0.00 58.87 59.56 1ug1 n SER 35 Cb 0.56 -1.59 -0.11 0.00 -0.26 0.00 0.00 64.21 62.82 1ug1 n SER 35 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ug1 s LEU 36 N -1.65 2.26 -0.06 1.04 1.43 -0.81 -4.96 118.68 115.92 1ug1 s LEU 36 Ca 0.55 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1ug1 s LEU 36 Cb -0.50 0.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 1ug1 s LEU 36 CO 0.62 -0.36 0.22 -0.76 0.23 0.00 0.00 176.35 176.30 1ug1 s LEU 37 N -1.73 4.40 0.65 1.79 1.43 -1.26 -1.40 118.68 122.55 1ug1 s LEU 37 Ca -0.12 0.56 0.23 0.00 -1.03 0.00 0.00 54.13 53.77 1ug1 s LEU 37 Cb -0.07 -2.35 1.21 0.00 0.03 0.00 0.00 46.19 45.02 1ug1 s LEU 37 CO -0.03 0.35 1.68 1.05 0.23 0.00 0.00 176.35 179.63 1ug1 h GLU 38 N 4.59 0.00 0.00 1.70 4.11 -1.71 1.44 114.58 124.71 1ug1 h GLU 38 Ca -0.53 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.76 1ug1 h GLU 38 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1ug1 h GLU 38 CO 0.61 0.00 -1.76 0.41 0.07 0.00 0.00 179.01 178.35 1ug1 n GLY 39 N -1.36 -1.13 3.77 1.06 0.00 -1.26 -4.03 105.19 102.25 1ug1 n GLY 39 Ca 0.02 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1ug1 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ug1 n ASP 40 N -2.64 3.67 -4.61 1.61 8.00 0.49 -4.81 116.55 118.26 1ug1 n ASP 40 Ca -0.12 1.21 -0.33 0.00 0.71 0.00 0.00 54.79 56.27 1ug1 n ASP 40 Cb 0.79 -1.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.18 1ug1 n ASP 40 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ug1 s LEU 41 N -2.09 3.25 0.16 0.64 2.96 -1.26 -2.25 118.68 120.09 1ug1 s LEU 41 Ca 0.55 -0.09 0.06 0.00 -0.22 0.00 0.00 54.13 54.42 1ug1 s LEU 41 Cb -0.48 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1ug1 s LEU 41 CO 0.63 0.30 -0.12 0.68 -1.32 0.00 0.00 176.35 176.51 1ug1 s VAL 42 N -0.99 1.35 -0.32 1.68 -7.23 0.09 -4.69 120.40 110.28 1ug1 s VAL 42 Ca 0.17 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 1ug1 s VAL 42 Cb -0.11 -1.82 0.09 0.00 0.56 0.00 0.00 36.38 35.10 1ug1 s VAL 42 CO 0.07 -0.63 0.04 -0.83 -0.31 0.00 0.00 175.10 173.43 1ug1 s GLY 43 N -3.03 1.77 0.06 2.32 0.00 -1.16 -0.85 107.32 106.43 1ug1 s GLY 43 Ca 0.16 -2.30 -0.36 0.00 0.00 0.00 0.00 44.72 42.22 1ug1 s GLY 43 CO 0.03 1.00 0.96 -0.62 0.00 0.00 0.00 173.10 174.46 1ug1 n VAL 44 N 4.37 0.54 -0.04 1.40 0.31 0.28 -3.18 118.33 122.00 1ug1 n VAL 44 Ca 0.01 -0.13 -0.09 0.00 -0.01 0.00 0.00 64.34 64.11 1ug1 n VAL 44 Cb 0.42 -0.10 -0.03 0.00 -0.91 0.00 0.00 33.84 33.22 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 1.19 1.07 -4.82 2.52 5.41 0.19 -4.87 119.36 120.05 1ug1 n ILE 45 Ca 0.19 0.07 -0.27 0.00 1.00 0.00 0.00 62.75 63.74 1ug1 n ILE 45 Cb 0.14 -1.83 -0.16 0.00 -0.71 0.00 0.00 39.64 37.08 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 -2.34 1.95 -0.34 0.38 3.01 -0.95 -4.99 119.74 116.46 1ug1 s LYS 46 Ca -0.16 -0.59 0.02 0.00 -1.01 0.00 0.00 55.97 54.23 1ug1 s LYS 46 Cb 0.04 -1.62 0.40 0.00 -1.01 0.00 0.00 37.83 35.64 1ug1 s LYS 46 CO 0.22 0.17 1.72 1.63 0.51 0.00 0.00 175.35 179.60 1ug1 n LYS 47 N 3.40 1.90 -3.65 1.68 5.02 -1.26 -1.50 118.16 123.76 1ug1 n LYS 47 Ca -0.20 -2.03 -0.00 0.00 -2.02 0.00 0.00 58.31 54.06 1ug1 n LYS 47 Cb 0.53 -1.80 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 1ug1 n LYS 47 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ug1 s LYS 48 N -2.27 0.16 0.33 1.97 2.20 -1.26 -4.78 119.74 116.09 1ug1 s LYS 48 Ca 0.39 0.25 -0.01 0.00 -0.36 0.00 0.00 55.97 56.24 1ug1 s LYS 48 Cb 0.32 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 1ug1 s LYS 48 CO 0.05 -0.03 0.55 0.16 -0.36 0.00 0.00 175.35 175.72 1ug1 s ASP 49 N 0.94 6.33 -0.13 1.43 -4.77 -1.23 -4.81 116.67 114.44 1ug1 s ASP 49 Ca -0.06 0.53 -0.05 0.00 -3.30 0.00 0.00 52.55 49.67 1ug1 s ASP 49 Cb -0.03 -2.07 -0.19 0.00 -1.09 0.00 0.00 42.92 39.55 1ug1 s ASP 49 CO -0.12 -0.26 2.81 -0.81 0.70 0.00 0.00 175.17 177.49 1ug1 n PRO 50 N -1.51 1.63 0.00 2.11 -0.04 -1.26 -3.17 135.00 132.76 1ug1 n PRO 50 Ca -0.04 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 1ug1 n PRO 50 Cb 0.55 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 2.76 0.00 0.00 0.54 2.81 -1.26 -5.07 117.12 116.90 1ug1 n MET 51 Ca 0.35 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 1ug1 n MET 51 Cb 0.64 -0.43 0.00 0.00 -0.71 0.00 0.00 33.22 32.72 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 2.12 0.94 3.64 3.03 0.00 -1.19 -5.15 105.19 108.59 1ug1 n GLY 52 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1ug1 n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug1 s SER 53 N -0.31 -0.97 0.00 1.61 0.01 -1.26 -5.01 113.70 107.76 1ug1 s SER 53 Ca 0.00 1.49 0.28 0.00 1.31 0.00 0.00 55.95 59.04 1ug1 s SER 53 Cb 0.00 1.61 1.16 0.00 0.21 0.00 0.00 66.02 69.00 1ug1 s SER 53 CO 0.00 -0.23 1.81 0.00 0.41 0.00 0.00 173.24 175.23 1ug1 n GLN 54 N 4.58 1.00 0.07 12.44 0.00 -1.26 -3.68 117.38 130.54 1ug1 n GLN 54 Ca -0.18 -0.45 0.02 0.00 0.00 0.00 0.00 57.00 56.39 1ug1 n GLN 54 Cb 0.56 -1.49 0.38 0.00 0.00 0.00 0.00 30.24 29.69 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 1.10 0.33 -3.33 2.61 2.35 -1.95 -3.41 115.58 113.27 1ug1 h ASN 55 Ca 0.00 -0.05 -0.65 0.00 -0.55 0.00 0.00 56.30 55.05 1ug1 h ASN 55 Cb 0.38 -0.08 -0.24 0.00 0.05 0.00 0.00 38.32 38.43 1ug1 h ASN 55 CO 0.00 0.41 -0.72 -0.60 -1.65 0.00 0.00 177.43 174.87 1ug1 s ARG 56 N -4.91 3.48 0.36 0.81 3.52 -1.24 -3.51 118.95 117.45 1ug1 s ARG 56 Ca -0.06 -0.61 0.09 0.00 -0.13 0.00 0.00 55.73 55.02 1ug1 s ARG 56 Cb 0.16 -2.75 -0.07 0.00 -1.56 0.00 0.00 34.95 30.73 1ug1 s ARG 56 CO 0.74 0.25 -0.06 -1.58 -0.81 0.00 0.00 175.30 173.84 1ug1 s TRP 57 N 0.29 2.44 -0.25 5.12 0.51 -0.19 -3.50 118.94 123.37 1ug1 s TRP 57 Ca -0.07 -0.54 -0.06 0.00 -2.12 0.00 0.00 56.10 53.31 1ug1 s TRP 57 Cb -0.15 -1.49 -0.02 0.00 -0.81 0.00 0.00 33.47 31.00 1ug1 s TRP 57 CO 0.04 0.54 0.04 -1.17 -0.51 0.00 0.00 176.95 175.90 1ug1 s LEU 58 N -3.64 3.35 0.35 2.99 2.96 -0.56 -1.90 118.68 122.23 1ug1 s LEU 58 Ca 0.33 -0.32 0.09 0.00 -0.22 0.00 0.00 54.13 54.02 1ug1 s LEU 58 Cb 0.04 -1.87 -0.06 0.00 0.50 0.00 0.00 46.19 44.80 1ug1 s LEU 58 CO 0.17 -0.05 -0.05 0.27 -1.32 0.00 0.00 176.35 175.37 1ug1 s ILE 59 N 1.57 2.30 -0.18 6.68 -5.25 -0.50 0.57 121.20 126.39 1ug1 s ILE 59 Ca 0.06 -2.11 -0.01 0.00 -0.99 0.00 0.00 60.65 57.60 1ug1 s ILE 59 Cb -0.15 -2.74 -0.00 0.00 2.95 0.00 0.00 42.46 42.52 1ug1 s ILE 59 CO 0.02 -0.17 -0.11 -0.62 -1.79 0.00 0.00 174.94 172.26 1ug1 s ASP 60 N -3.66 3.86 -0.40 4.36 2.15 -1.19 -1.94 116.67 119.85 1ug1 s ASP 60 Ca 0.34 -0.45 -0.00 0.00 0.43 0.00 0.00 52.55 52.86 1ug1 s ASP 60 Cb 0.03 -1.62 0.35 0.00 -0.30 0.00 0.00 42.92 41.37 1ug1 s ASP 60 CO 0.18 0.04 1.89 -0.46 -0.17 0.00 0.00 175.17 176.65 1ug1 n ASN 61 N 4.38 5.82 -2.13 -0.34 6.94 -1.02 -2.98 115.26 125.93 1ug1 n ASN 61 Ca -0.19 -3.24 -0.09 0.00 -0.02 0.00 0.00 54.58 51.04 1ug1 n ASN 61 Cb 0.51 -0.93 -0.01 0.00 -2.36 0.00 0.00 39.78 36.99 1ug1 n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ug1 n GLY 62 N -0.26 -0.13 2.00 4.83 0.00 -1.26 -4.43 105.19 105.93 1ug1 n GLY 62 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.73 0.00 -3.25 1.61 0.31 -1.26 -5.03 118.33 107.97 1ug1 n VAL 63 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1ug1 n VAL 63 Cb 0.50 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 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 -2.50 0.00 -3.90 2.52 5.66 -1.26 -5.14 114.28 109.66 1ug1 n THR 64 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 1ug1 n THR 64 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 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 -1.41 3.49 0.08 1.09 1.02 -1.26 -2.44 119.74 120.31 1ug1 s LYS 65 Ca 0.00 -0.57 0.07 0.00 0.02 0.00 0.00 55.97 55.49 1ug1 s LYS 65 Cb 0.00 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 1ug1 s LYS 65 CO 0.00 -0.16 -0.18 0.20 -0.92 0.00 0.00 175.35 174.29 1ug1 s GLY 66 N 1.44 1.05 -0.20 -3.33 0.00 -0.82 -4.89 107.32 100.57 1ug1 s GLY 66 Ca 0.05 -1.09 -0.07 0.00 0.00 0.00 0.00 44.72 43.61 1ug1 s GLY 66 CO -0.00 -1.09 0.05 -1.36 0.00 0.00 0.00 173.10 170.70 1ug1 s PHE 67 N -1.12 3.15 0.17 1.90 0.40 -0.96 -1.41 117.98 120.12 1ug1 s PHE 67 Ca 0.03 -0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.17 1ug1 s PHE 67 Cb -0.10 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 1ug1 s PHE 67 CO 0.03 -0.07 0.16 0.14 0.70 0.00 0.00 175.22 176.18 1ug1 s VAL 68 N 0.85 0.05 -0.12 -0.44 -7.23 -0.80 -4.23 120.40 108.48 1ug1 s VAL 68 Ca 0.03 -1.81 -0.18 0.00 -1.81 0.00 0.00 61.98 58.20 1ug1 s VAL 68 Cb -0.14 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 1ug1 s VAL 68 CO 0.02 -0.22 0.48 -0.31 -0.31 0.00 0.00 175.10 174.76 1ug1 s TYR 69 N -4.07 3.52 0.59 2.82 2.02 -1.26 -1.02 117.35 119.94 1ug1 s TYR 69 Ca 0.28 0.89 0.33 0.00 -0.37 0.00 0.00 57.07 58.21 1ug1 s TYR 69 Cb 0.06 -2.55 1.29 0.00 -0.40 0.00 0.00 41.96 40.36 1ug1 s TYR 69 CO 0.06 0.17 1.55 0.66 -1.57 0.00 0.00 175.55 176.43 1ug1 h SER 70 N 6.70 0.00 -0.33 2.29 4.64 -1.89 0.75 113.55 125.70 1ug1 h SER 70 Ca -0.41 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.96 1ug1 h SER 70 Cb 1.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 1ug1 h SER 70 CO 0.75 0.00 0.03 0.28 -0.87 0.00 0.00 176.83 177.02 1ug1 h SER 71 N 0.00 -0.07 0.69 4.97 0.02 -1.91 0.18 113.55 117.43 1ug1 h SER 71 Ca 0.53 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 1ug1 h SER 71 Cb 2.64 0.11 0.00 0.00 0.14 0.00 0.00 62.40 65.28 1ug1 h SER 71 CO -0.01 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 1ug1 n PHE 72 N -5.14 0.10 -3.92 3.45 3.72 0.26 -4.74 117.46 111.19 1ug1 n PHE 72 Ca 0.01 0.04 -0.22 0.00 -0.05 0.00 0.00 57.45 57.23 1ug1 n PHE 72 Cb 0.16 -0.56 -0.05 0.00 -0.94 0.00 0.00 39.48 38.10 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 -3.18 3.48 -0.02 4.37 1.43 0.64 -1.37 118.68 124.03 1ug1 s LEU 73 Ca 0.09 -0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 52.55 1ug1 s LEU 73 Cb 0.12 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1ug1 s LEU 73 CO 0.36 -0.33 0.13 -1.59 0.23 0.00 0.00 176.35 175.15 1ug1 s LYS 74 N -3.94 0.32 -0.54 1.70 0.00 -0.28 -4.76 119.74 112.24 1ug1 s LYS 74 Ca 0.40 -0.14 -0.28 0.00 0.00 0.00 0.00 55.97 55.95 1ug1 s LYS 74 Cb -0.05 0.14 0.01 0.00 0.00 0.00 0.00 37.83 37.93 1ug1 s LYS 74 CO 0.25 -0.06 1.48 -1.25 0.00 0.00 0.00 175.35 175.77 1ug1 s PRO 75 N -0.70 3.26 1.42 1.78 0.04 -1.26 -0.72 135.00 138.82 1ug1 s PRO 75 Ca -0.08 0.57 -0.23 0.00 0.04 0.00 0.00 61.00 61.31 1ug1 s PRO 75 Cb -0.05 -4.15 0.37 0.00 0.04 0.00 0.00 34.50 30.71 1ug1 s PRO 75 CO 0.01 -1.98 0.93 -0.47 0.04 0.00 0.00 177.00 175.53 1ug1 s TYR 76 N 6.34 -0.61 -0.34 0.56 5.04 -0.58 -4.94 117.35 122.81 1ug1 s TYR 76 Ca 0.56 0.58 -0.01 0.00 -2.44 0.00 0.00 57.07 55.76 1ug1 s TYR 76 Cb -0.12 -2.91 0.19 0.00 0.35 0.00 0.00 41.96 39.47 1ug1 s TYR 76 CO 0.26 -4.98 0.82 1.21 -1.34 0.00 0.00 175.55 171.52 1ug1 s ASN 77 N -3.16 -1.01 0.00 4.32 2.47 -1.26 -4.99 114.94 111.31 1ug1 s ASN 77 Ca 0.69 -0.22 0.20 0.00 0.42 0.00 0.00 52.86 53.95 1ug1 s ASN 77 Cb -0.13 1.44 1.18 0.00 -1.45 0.00 0.00 41.25 42.28 1ug1 s ASN 77 CO 0.58 -0.15 1.61 -0.81 -3.72 0.00 0.00 177.10 174.61 1ug1 n PRO 78 N 4.62 0.75 -1.40 0.43 -0.04 -1.26 -4.88 135.00 133.22 1ug1 n PRO 78 Ca 0.08 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.11 1ug1 n PRO 78 Cb 0.58 -1.41 -0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.91 0.35 -1.63 0.54 0.63 -1.26 -4.70 116.66 109.68 1ug1 n ARG 79 Ca 0.15 0.13 -0.55 0.00 -0.92 0.00 0.00 57.85 56.66 1ug1 n ARG 79 Cb 0.07 -1.29 -0.07 0.00 0.45 0.00 0.00 32.46 31.62 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 0.89 1.08 0.00 -0.14 0.63 -1.26 -4.39 116.66 113.46 1ug1 n ARG 80 Ca 0.12 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 1ug1 n ARG 80 Cb 0.37 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.24 1ug1 n ARG 80 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1ug1 n SER 81 N 3.53 0.00 -3.64 6.15 7.64 -1.26 -5.14 113.62 120.90 1ug1 n SER 81 Ca 0.22 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 60.01 1ug1 n SER 81 Cb 0.16 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.29 1ug1 n SER 81 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1ug1 s HIS 82 N 0.00 -0.54 0.00 1.43 -3.43 -1.26 -5.17 115.29 106.32 1ug1 s HIS 82 Ca 0.00 1.25 0.00 0.00 -0.80 0.00 0.00 55.06 55.51 1ug1 s HIS 82 Cb 0.00 0.37 -0.00 0.00 -1.43 0.00 0.00 32.58 31.51 1ug1 s HIS 82 CO 0.00 -0.26 -0.01 -1.12 -2.00 0.00 0.00 174.74 171.35 1ug1 s SER 83 N 0.50 0.05 -0.12 7.38 0.01 -1.26 -5.02 113.70 115.25 1ug1 s SER 83 Ca 0.00 -0.04 -0.22 0.00 1.31 0.00 0.00 55.95 57.01 1ug1 s SER 83 Cb -0.05 0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.24 1ug1 s SER 83 CO -0.08 -0.01 0.53 1.51 0.41 0.00 0.00 173.24 175.60 1ug1 s ASP 84 N -0.10 -0.51 0.21 2.44 1.47 -1.26 -5.07 116.67 113.85 1ug1 s ASP 84 Ca -0.01 0.76 0.00 0.00 1.18 0.00 0.00 52.55 54.48 1ug1 s ASP 84 Cb -0.01 0.76 0.00 0.00 -0.34 0.00 0.00 42.92 43.34 1ug1 s ASP 84 CO -0.00 -0.37 0.00 0.00 0.68 0.00 0.00 175.17 175.48 1ug1 n ALA 85 N 1.89 3.00 0.01 2.11 0.00 -1.26 -5.09 120.51 121.16 1ug1 n ALA 85 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1ug1 n ALA 85 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1ug1 n ALA 85 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ug1 n SER 86 N -3.31 -0.14 -2.69 0.00 3.41 -1.26 -5.11 113.62 104.54 1ug1 n SER 86 Ca 0.00 0.40 -0.02 0.00 -0.26 0.00 0.00 58.87 58.99 1ug1 n SER 86 Cb 0.00 0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1ug1 n SER 86 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ug1 n SER 87 N -2.79 -5.74 -3.35 4.04 2.88 -1.26 -5.07 113.62 102.33 1ug1 n SER 87 Ca 0.00 1.42 0.02 0.00 -1.33 0.00 0.00 58.87 58.98 1ug1 n SER 87 Cb 0.00 -5.34 -0.03 0.00 -0.75 0.00 0.00 64.21 58.09 1ug1 n SER 87 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ug1 s GLY 88 N -1.35 -0.27 0.37 0.46 0.00 -1.26 -5.16 107.32 100.11 1ug1 s GLY 88 Ca -0.09 2.92 -0.25 0.00 0.00 0.00 0.00 44.72 47.30 1ug1 s GLY 88 CO 0.79 3.34 1.06 2.56 0.00 0.00 0.00 173.10 180.85 1ug1 s PRO 89 N 2.57 4.28 0.28 2.90 0.04 -1.26 -5.06 135.00 138.74 1ug1 s PRO 89 Ca -0.01 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.67 1ug1 s PRO 89 Cb -0.07 -2.70 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 1ug1 s PRO 89 CO -0.17 -0.06 -0.02 0.45 0.04 0.00 0.00 177.00 177.25 1ug1 s SER 90 N -1.39 2.47 0.14 6.66 0.15 -1.26 -5.16 113.70 115.31 1ug1 s SER 90 Ca 0.55 -1.24 -0.25 0.00 0.70 0.00 0.00 55.95 55.70 1ug1 s SER 90 Cb -0.25 -0.11 0.07 0.00 -1.71 0.00 0.00 66.02 64.02 1ug1 s SER 90 CO 0.31 -0.44 0.83 -0.44 1.20 0.00 0.00 173.24 174.70 1ug1 s SER 91 N -3.42 -0.31 0.00 5.45 0.01 -1.26 -5.35 113.70 108.81 1ug1 s SER 91 Ca 0.31 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1ug1 s SER 91 Cb 0.05 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1ug1 s SER 91 CO 0.12 -0.92 0.13 0.61 0.41 0.00 0.00 173.24 173.59