#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 -0.99 -0.18 1.61 0.01 -1.26 -5.06 113.70 107.83 1ug1 s SER 2 Ca 0.00 0.92 -0.15 0.00 1.31 0.00 0.00 55.95 58.04 1ug1 s SER 2 Cb 0.00 1.95 -0.07 0.00 0.21 0.00 0.00 66.02 68.11 1ug1 s SER 2 CO 0.00 -0.19 -0.24 -1.54 0.41 0.00 0.00 173.24 171.68 1ug1 n SER 3 N 5.35 1.89 0.24 2.44 3.41 -1.26 -4.02 113.62 121.67 1ug1 n SER 3 Ca -0.06 0.45 -0.15 0.00 -0.26 0.00 0.00 58.87 58.84 1ug1 n SER 3 Cb 0.51 -0.81 -0.08 0.00 -0.26 0.00 0.00 64.21 63.57 1ug1 n SER 3 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ug1 h GLY 4 N -1.00 -0.61 -0.51 5.00 0.00 -1.98 0.20 103.07 104.18 1ug1 h GLY 4 Ca -0.11 0.23 0.23 0.00 0.00 0.00 0.00 47.33 47.68 1ug1 h GLY 4 CO -0.06 -0.22 0.17 0.23 0.00 0.00 0.00 176.54 176.65 1ug1 h SER 5 N -0.69 -0.12 -0.26 0.19 0.87 -1.98 0.45 113.55 112.01 1ug1 h SER 5 Ca -0.06 0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.59 1ug1 h SER 5 Cb 0.50 0.31 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1ug1 h SER 5 CO 0.10 -0.19 -0.31 0.77 -0.53 0.00 0.00 176.83 176.67 1ug1 h SER 6 N 0.16 0.72 -0.70 6.23 4.64 -1.64 -2.71 113.55 120.25 1ug1 h SER 6 Ca 0.54 -0.49 0.20 0.00 -0.47 0.00 0.00 61.79 61.57 1ug1 h SER 6 Cb 1.07 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.93 1ug1 h SER 6 CO -0.69 1.07 0.81 1.23 -0.87 0.00 0.00 176.83 178.37 1ug1 h GLY 7 N 0.39 0.00 0.77 -0.77 0.00 0.31 1.88 103.07 105.66 1ug1 h GLY 7 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.05 1ug1 h GLY 7 CO 0.07 0.00 -1.86 0.00 0.00 0.00 0.00 176.54 174.76 1ug1 n ALA 8 N -2.29 1.44 -0.04 3.60 0.00 -0.81 -4.00 120.51 118.42 1ug1 n ALA 8 Ca 0.15 -0.85 -0.14 0.00 0.00 0.00 0.00 53.44 52.60 1ug1 n ALA 8 Cb 1.05 -0.72 -0.11 0.00 0.00 0.00 0.00 19.45 19.67 1ug1 n ALA 8 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ug1 h SER 9 N 0.01 0.09 -1.14 0.00 0.02 0.26 -3.19 113.55 109.60 1ug1 h SER 9 Ca -0.35 -0.75 0.34 0.00 -0.84 0.00 0.00 61.79 60.20 1ug1 h SER 9 Cb 2.05 -0.03 -0.12 0.00 0.14 0.00 0.00 62.40 64.45 1ug1 h SER 9 CO 0.07 0.82 0.72 -0.07 -1.14 0.00 0.00 176.83 177.23 1ug1 h LEU 10 N -0.64 0.38 -0.89 5.07 4.07 0.12 2.01 115.31 125.42 1ug1 h LEU 10 Ca -0.01 0.12 0.03 0.00 0.08 0.00 0.00 57.88 58.10 1ug1 h LEU 10 Cb 0.83 0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.59 1ug1 h LEU 10 CO 0.02 -0.06 0.58 -0.07 -1.08 0.00 0.00 178.44 177.83 1ug1 h LEU 11 N 0.26 0.97 0.00 1.67 3.38 -1.68 1.08 115.31 120.98 1ug1 h LEU 11 Ca 0.71 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.56 1ug1 h LEU 11 Cb 1.95 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 1ug1 h LEU 11 CO -0.40 0.67 -0.57 0.00 0.09 0.00 0.00 178.44 178.24 1ug1 h ALA 12 N 1.36 0.12 0.11 1.53 0.00 0.22 -3.38 119.26 119.22 1ug1 h ALA 12 Ca 0.35 -0.82 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1ug1 h ALA 12 Cb -0.02 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1ug1 h ALA 12 CO -0.11 0.32 -0.35 0.00 0.00 0.00 0.00 179.25 179.11 1ug1 h ARG 13 N -1.00 -0.55 -6.25 0.00 3.08 0.25 -3.42 114.38 106.49 1ug1 h ARG 13 Ca -0.16 0.04 -0.62 0.00 0.07 0.00 0.00 59.98 59.31 1ug1 h ARG 13 Cb 1.14 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 31.22 1ug1 h ARG 13 CO -0.10 -0.37 -0.62 0.71 -1.07 0.00 0.00 179.97 178.53 1ug1 s TYR 14 N -5.98 3.08 0.99 3.04 2.02 0.37 -5.03 117.35 115.84 1ug1 s TYR 14 Ca -0.16 0.00 -0.15 0.00 -0.37 0.00 0.00 57.07 56.39 1ug1 s TYR 14 Cb 0.08 -1.54 0.19 0.00 -0.40 0.00 0.00 41.96 40.28 1ug1 s TYR 14 CO 0.64 0.51 1.18 -1.25 -1.57 0.00 0.00 175.55 175.06 1ug1 s PRO 15 N -2.61 0.48 0.31 -1.71 0.04 -1.26 -4.18 135.00 126.07 1ug1 s PRO 15 Ca 0.28 0.04 0.15 0.00 0.04 0.00 0.00 61.00 61.52 1ug1 s PRO 15 Cb -0.11 -1.79 0.38 0.00 0.04 0.00 0.00 34.50 33.02 1ug1 s PRO 15 CO 0.21 -2.60 1.59 -1.00 0.04 0.00 0.00 177.00 175.24 1ug1 h PRO 16 N -1.78 0.00 0.00 0.56 0.13 -1.93 -1.98 132.00 126.99 1ug1 h PRO 16 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ug1 h PRO 16 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ug1 h PRO 16 CO 0.50 0.52 0.00 -0.85 -0.23 0.00 0.00 178.00 177.94 1ug1 n GLU 17 N -3.48 0.55 -0.29 0.86 0.28 -1.26 -2.59 120.64 114.71 1ug1 n GLU 17 Ca 0.00 0.03 0.03 0.00 -0.16 0.00 0.00 57.16 57.06 1ug1 n GLU 17 Cb 0.63 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 32.04 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 0.57 -3.56 3.44 5.02 -1.04 -5.01 118.16 116.41 1ug1 n LYS 18 Ca 0.15 -1.46 -0.40 0.00 -2.02 0.00 0.00 58.31 54.59 1ug1 n LYS 18 Cb 0.16 -0.83 -0.11 0.00 -0.02 0.00 0.00 35.03 34.23 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 -0.93 4.54 0.01 -0.35 1.43 -0.77 0.12 118.68 122.72 1ug1 s LEU 19 Ca 0.10 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1ug1 s LEU 19 Cb 0.08 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1ug1 s LEU 19 CO 0.01 -0.28 -0.09 -0.36 0.23 0.00 0.00 176.35 175.86 1ug1 s PHE 20 N 1.67 0.77 0.42 0.29 0.40 -0.11 -0.35 117.98 121.06 1ug1 s PHE 20 Ca 0.05 -0.23 0.08 0.00 -0.60 0.00 0.00 56.93 56.22 1ug1 s PHE 20 Cb -0.18 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 42.86 1ug1 s PHE 20 CO 0.09 -0.02 0.43 -1.14 0.70 0.00 0.00 175.22 175.28 1ug1 s GLN 21 N -0.60 2.61 -0.63 0.44 0.74 -0.00 -0.60 119.66 121.62 1ug1 s GLN 21 Ca 0.00 -1.46 -0.25 0.00 0.05 0.00 0.00 55.36 53.71 1ug1 s GLN 21 Cb -0.05 -2.48 0.05 0.00 1.10 0.00 0.00 33.01 31.63 1ug1 s GLN 21 CO 0.00 -0.22 1.05 0.00 -0.55 0.00 0.00 175.29 175.58 1ug1 s ALA 22 N -2.44 3.03 0.35 1.58 0.00 -0.54 -0.09 121.76 123.65 1ug1 s ALA 22 Ca 0.50 -1.43 0.16 0.00 0.00 0.00 0.00 51.96 51.19 1ug1 s ALA 22 Cb -0.05 -3.93 1.15 0.00 0.00 0.00 0.00 23.12 20.29 1ug1 s ALA 22 CO 0.29 -2.75 1.63 0.93 0.00 0.00 0.00 175.76 175.86 1ug1 h GLU 23 N 9.58 0.17 -3.80 0.00 4.39 0.15 -3.37 114.58 121.70 1ug1 h GLU 23 Ca -0.27 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.31 1ug1 h GLU 23 Cb 1.07 -0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.58 1ug1 h GLU 23 CO 1.17 0.11 -0.17 -0.98 -1.16 0.00 0.00 179.01 177.99 1ug1 s ARG 24 N -5.64 1.59 -0.69 2.33 1.70 -1.24 -4.88 118.95 112.11 1ug1 s ARG 24 Ca -0.10 -1.38 -0.26 0.00 -0.47 0.00 0.00 55.73 53.52 1ug1 s ARG 24 Cb 0.31 0.45 -0.10 0.00 -0.57 0.00 0.00 34.95 35.05 1ug1 s ARG 24 CO 0.78 -0.65 2.33 -0.80 -1.08 0.00 0.00 175.30 175.88 1ug1 s ASN 25 N -3.07 4.28 0.29 -2.89 -0.87 -1.23 -3.99 114.94 107.46 1ug1 s ASN 25 Ca 0.25 0.32 -0.29 0.00 -1.57 0.00 0.00 52.86 51.57 1ug1 s ASN 25 Cb 0.00 -2.53 -0.10 0.00 -0.02 0.00 0.00 41.25 38.60 1ug1 s ASN 25 CO 0.11 -3.35 1.11 0.12 -2.57 0.00 0.00 177.10 172.52 1ug1 s PHE 26 N 13.12 3.53 -0.19 2.20 2.19 0.07 -4.90 117.98 134.01 1ug1 s PHE 26 Ca 0.90 1.68 -0.00 0.00 0.33 0.00 0.00 56.93 59.84 1ug1 s PHE 26 Cb -0.14 -3.30 0.01 0.00 -1.31 0.00 0.00 43.02 38.29 1ug1 s PHE 26 CO 0.14 -0.63 -0.15 1.21 1.83 0.00 0.00 175.22 177.62 1ug1 s ASN 27 N -0.90 3.53 0.03 6.13 2.47 -1.26 -1.41 114.94 123.53 1ug1 s ASN 27 Ca 0.46 -0.56 -0.38 0.00 0.42 0.00 0.00 52.86 52.80 1ug1 s ASN 27 Cb -0.32 -1.56 -0.18 0.00 -1.45 0.00 0.00 41.25 37.74 1ug1 s ASN 27 CO 0.41 0.00 1.30 0.00 -3.72 0.00 0.00 177.10 175.09 1ug1 n ALA 28 N 4.61 -1.64 -0.09 1.71 0.00 -1.26 -4.86 120.51 118.97 1ug1 n ALA 28 Ca -0.20 0.53 -0.18 0.00 0.00 0.00 0.00 53.44 53.60 1ug1 n ALA 28 Cb 0.50 -2.00 -0.07 0.00 0.00 0.00 0.00 19.45 17.89 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 2.46 1.78 -3.88 0.00 0.00 -1.26 -4.97 120.51 114.63 1ug1 n ALA 29 Ca 0.20 -0.72 -0.21 0.00 0.00 0.00 0.00 53.44 52.70 1ug1 n ALA 29 Cb 0.15 0.23 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 1ug1 n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug1 n GLN 30 N -3.61 0.95 0.08 0.00 10.64 -1.26 -5.00 117.38 119.17 1ug1 n GLN 30 Ca -0.34 -2.46 0.13 0.00 -1.83 0.00 0.00 57.00 52.50 1ug1 n GLN 30 Cb 0.77 0.32 0.46 0.00 -0.86 0.00 0.00 30.24 30.94 1ug1 n GLN 30 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1ug1 n ASP 31 N -1.79 0.59 0.00 2.61 2.03 -1.26 -2.59 116.55 116.15 1ug1 n ASP 31 Ca -0.03 0.56 0.11 0.00 0.52 0.00 0.00 54.79 55.95 1ug1 n ASP 31 Cb 0.44 -0.72 0.11 0.00 -0.72 0.00 0.00 41.12 40.24 1ug1 n ASP 31 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ug1 n LEU 32 N -2.06 0.66 -4.94 -2.67 4.77 -1.26 -4.90 117.00 106.60 1ug1 n LEU 32 Ca 0.06 -0.15 -0.24 0.00 -0.03 0.00 0.00 56.01 55.65 1ug1 n LEU 32 Cb 0.41 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1ug1 n LEU 32 CO 0.29 0.15 0.22 -1.81 -1.33 0.00 0.00 177.39 174.92 1ug1 s ASP 33 N -3.13 6.16 0.00 -1.43 1.11 -1.07 -0.97 116.67 117.35 1ug1 s ASP 33 Ca 0.09 0.43 0.02 0.00 0.18 0.00 0.00 52.55 53.28 1ug1 s ASP 33 Cb 0.17 -1.90 -0.01 0.00 1.07 0.00 0.00 42.92 42.25 1ug1 s ASP 33 CO 0.76 -0.43 -0.07 0.68 1.18 0.00 0.00 175.17 177.29 1ug1 s VAL 34 N -2.41 0.55 0.12 -1.27 -7.23 -1.26 -4.80 120.40 104.10 1ug1 s VAL 34 Ca 0.43 -0.45 -0.31 0.00 -1.81 0.00 0.00 61.98 59.84 1ug1 s VAL 34 Cb -0.10 -0.49 -0.09 0.00 0.56 0.00 0.00 36.38 36.26 1ug1 s VAL 34 CO 0.37 0.06 1.47 -0.44 -0.31 0.00 0.00 175.10 176.24 1ug1 s SER 35 N -0.43 6.73 0.13 4.85 0.01 -1.26 -4.24 113.70 119.49 1ug1 s SER 35 Ca 0.01 2.42 -0.00 0.00 1.31 0.00 0.00 55.95 59.69 1ug1 s SER 35 Cb -0.04 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1ug1 s SER 35 CO -0.00 -0.73 0.03 -0.76 0.41 0.00 0.00 173.24 172.19 1ug1 s LEU 36 N 1.27 1.98 0.00 2.44 1.43 -0.50 -4.95 118.68 120.35 1ug1 s LEU 36 Ca 0.67 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1ug1 s LEU 36 Cb -0.39 0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.00 1ug1 s LEU 36 CO 0.30 -0.66 0.00 0.18 0.23 0.00 0.00 176.35 176.40 1ug1 n LEU 37 N -0.11 0.00 -0.03 1.79 4.77 -1.26 -0.75 117.00 121.41 1ug1 n LEU 37 Ca -0.07 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.92 1ug1 n LEU 37 Cb 0.63 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.58 1ug1 n LEU 37 CO 0.31 0.00 -0.76 -1.84 -1.33 0.00 0.00 177.39 173.78 1ug1 n GLU 38 N 0.00 0.66 -0.02 3.23 0.28 -1.26 -3.55 120.64 119.98 1ug1 n GLU 38 Ca 0.00 -0.02 -0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1ug1 n GLU 38 Cb 0.00 -1.60 -0.13 0.00 1.43 0.00 0.00 31.44 31.14 1ug1 n GLU 38 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ug1 n GLY 39 N 1.46 -1.08 3.66 -1.84 0.00 -1.26 -3.92 105.19 102.22 1ug1 n GLY 39 Ca -0.15 -0.31 -0.60 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.66 1.50 -4.92 1.61 8.00 -1.26 -4.64 116.55 114.17 1ug1 n ASP 40 Ca -0.16 1.13 -0.30 0.00 0.71 0.00 0.00 54.79 56.17 1ug1 n ASP 40 Cb 0.87 -1.04 -0.04 0.00 -0.02 0.00 0.00 41.12 40.89 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 2.20 4.33 0.11 0.64 1.98 -1.26 -1.47 118.68 125.22 1ug1 s LEU 41 Ca 0.96 0.31 -0.08 0.00 -2.89 0.00 0.00 54.13 52.44 1ug1 s LEU 41 Cb -1.21 -3.02 -0.01 0.00 0.66 0.00 0.00 46.19 42.61 1ug1 s LEU 41 CO 0.65 0.11 0.21 0.68 -1.89 0.00 0.00 176.35 176.11 1ug1 s VAL 42 N -1.60 0.12 -0.31 1.68 -7.23 0.23 -4.69 120.40 108.60 1ug1 s VAL 42 Ca 0.36 -1.30 0.03 0.00 -1.81 0.00 0.00 61.98 59.26 1ug1 s VAL 42 Cb -0.12 -1.53 0.09 0.00 0.56 0.00 0.00 36.38 35.37 1ug1 s VAL 42 CO 0.28 -0.54 0.01 -0.83 -0.31 0.00 0.00 175.10 173.70 1ug1 s GLY 43 N -2.90 1.69 0.10 2.32 0.00 -1.17 -0.94 107.32 106.42 1ug1 s GLY 43 Ca 0.10 -2.12 -0.31 0.00 0.00 0.00 0.00 44.72 42.38 1ug1 s GLY 43 CO -0.07 0.96 0.72 -0.62 0.00 0.00 0.00 173.10 174.09 1ug1 n VAL 44 N 4.42 1.02 -0.02 1.40 0.31 0.33 -3.46 118.33 122.32 1ug1 n VAL 44 Ca -0.02 -0.25 -0.06 0.00 -0.01 0.00 0.00 64.34 63.99 1ug1 n VAL 44 Cb 0.42 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.33 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 0.63 1.21 -4.30 2.52 5.41 0.13 -4.88 119.36 120.08 1ug1 n ILE 45 Ca 0.18 0.20 -0.20 0.00 1.00 0.00 0.00 62.75 63.92 1ug1 n ILE 45 Cb 0.16 -1.86 -0.11 0.00 -0.71 0.00 0.00 39.64 37.12 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 -2.35 1.19 -0.32 0.38 3.01 -1.02 -5.00 119.74 115.62 1ug1 s LYS 46 Ca -0.13 -1.37 0.08 0.00 -1.01 0.00 0.00 55.97 53.54 1ug1 s LYS 46 Cb 0.03 -1.15 0.50 0.00 -1.01 0.00 0.00 37.83 36.19 1ug1 s LYS 46 CO 0.19 0.23 1.46 1.63 0.51 0.00 0.00 175.35 179.37 1ug1 n LYS 47 N 0.31 2.10 -3.83 1.68 5.02 -1.26 -1.99 118.16 120.19 1ug1 n LYS 47 Ca -0.13 -3.33 -0.08 0.00 -2.02 0.00 0.00 58.31 52.75 1ug1 n LYS 47 Cb 0.57 -1.90 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 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 -3.34 1.71 0.33 1.97 2.20 -1.26 -4.69 119.74 116.67 1ug1 s LYS 48 Ca 0.47 -0.96 0.03 0.00 -0.36 0.00 0.00 55.97 55.15 1ug1 s LYS 48 Cb 0.41 0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 37.29 1ug1 s LYS 48 CO -0.00 -0.78 0.11 -0.51 -0.36 0.00 0.00 175.35 173.81 1ug1 s ASP 49 N -2.91 2.06 0.32 1.43 1.01 -1.26 -4.54 116.67 112.78 1ug1 s ASP 49 Ca 0.11 -1.51 0.26 0.00 0.71 0.00 0.00 52.55 52.13 1ug1 s ASP 49 Cb -0.05 0.24 0.89 0.00 1.01 0.00 0.00 42.92 45.01 1ug1 s ASP 49 CO 0.05 -0.79 1.77 1.55 0.21 0.00 0.00 175.17 177.96 1ug1 h PRO 50 N 2.10 0.00 0.00 8.23 0.13 -1.98 -3.24 132.00 137.23 1ug1 h PRO 50 Ca -0.37 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.67 1ug1 h PRO 50 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1ug1 h PRO 50 CO 0.60 0.00 -0.47 1.98 -0.23 0.00 0.00 178.00 179.88 1ug1 h MET 51 N 0.00 0.00 0.00 0.86 1.85 -2.02 -3.49 114.93 112.13 1ug1 h MET 51 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1ug1 h MET 51 Cb 0.62 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.65 1ug1 h MET 51 CO 0.00 1.00 0.00 0.41 -0.40 0.00 0.00 176.91 177.92 1ug1 n GLY 52 N 1.54 0.87 2.77 1.39 0.00 -1.22 -5.13 105.19 105.42 1ug1 n GLY 52 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.37 3.90 0.36 1.61 0.01 -1.26 -4.98 113.70 112.97 1ug1 s SER 53 Ca 0.00 -1.51 0.07 0.00 1.31 0.00 0.00 55.95 55.83 1ug1 s SER 53 Cb 0.00 -0.90 0.69 0.00 0.21 0.00 0.00 66.02 66.02 1ug1 s SER 53 CO 0.00 -0.38 1.88 0.06 0.41 0.00 0.00 173.24 175.21 1ug1 h GLN 54 N 8.07 0.35 -0.77 12.44 3.07 -1.96 -1.85 115.11 134.46 1ug1 h GLN 54 Ca -0.14 -0.08 0.22 0.00 0.09 0.00 0.00 58.65 58.74 1ug1 h GLN 54 Cb 1.04 -0.05 -0.03 0.00 0.08 0.00 0.00 27.48 28.52 1ug1 h GLN 54 CO 0.45 0.46 0.68 -0.91 0.09 0.00 0.00 178.83 179.60 1ug1 h ASN 55 N 0.33 0.00 -3.45 0.06 4.21 -1.93 -3.36 115.58 111.44 1ug1 h ASN 55 Ca 0.07 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 56.95 1ug1 h ASN 55 Cb 0.39 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 37.42 1ug1 h ASN 55 CO 0.02 0.00 -0.57 -0.60 -1.29 0.00 0.00 177.43 174.99 1ug1 s ARG 56 N -4.75 3.91 0.20 0.81 3.52 -0.69 -3.14 118.95 118.81 1ug1 s ARG 56 Ca -0.04 -0.37 0.11 0.00 -0.13 0.00 0.00 55.73 55.30 1ug1 s ARG 56 Cb 0.18 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 1ug1 s ARG 56 CO 0.65 0.11 -0.20 -1.58 -0.81 0.00 0.00 175.30 173.47 1ug1 s TRP 57 N 0.82 2.38 -0.32 5.12 0.51 -0.58 -4.13 118.94 122.74 1ug1 s TRP 57 Ca 0.04 -0.32 -0.13 0.00 -2.12 0.00 0.00 56.10 53.57 1ug1 s TRP 57 Cb -0.13 -1.16 -0.03 0.00 -0.81 0.00 0.00 33.47 31.34 1ug1 s TRP 57 CO 0.02 0.52 0.26 -1.17 -0.51 0.00 0.00 176.95 176.08 1ug1 s LEU 58 N -2.79 4.37 0.31 2.99 2.96 -0.84 -2.11 118.68 123.57 1ug1 s LEU 58 Ca 0.23 -0.25 0.09 0.00 -0.22 0.00 0.00 54.13 53.98 1ug1 s LEU 58 Cb -0.08 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 1ug1 s LEU 58 CO 0.12 -0.21 -0.01 0.27 -1.32 0.00 0.00 176.35 175.20 1ug1 s ILE 59 N 1.80 2.86 -0.19 6.68 -5.25 -0.65 0.20 121.20 126.66 1ug1 s ILE 59 Ca 0.08 -1.99 -0.01 0.00 -0.99 0.00 0.00 60.65 57.74 1ug1 s ILE 59 Cb -0.17 -2.76 0.00 0.00 2.95 0.00 0.00 42.46 42.48 1ug1 s ILE 59 CO 0.11 -0.27 -0.12 -0.62 -1.79 0.00 0.00 174.94 172.25 1ug1 s ASP 60 N -3.69 3.81 -0.37 4.36 2.15 -1.22 -2.20 116.67 119.50 1ug1 s ASP 60 Ca 0.34 -0.47 -0.00 0.00 0.43 0.00 0.00 52.55 52.84 1ug1 s ASP 60 Cb -0.03 -1.62 0.30 0.00 -0.30 0.00 0.00 42.92 41.28 1ug1 s ASP 60 CO 0.19 0.03 1.91 -0.46 -0.17 0.00 0.00 175.17 176.67 1ug1 n ASN 61 N 4.47 5.99 -3.46 -0.34 6.94 -1.14 -3.04 115.26 124.68 1ug1 n ASN 61 Ca -0.19 -3.18 -0.23 0.00 -0.02 0.00 0.00 54.58 50.96 1ug1 n ASN 61 Cb 0.51 -0.96 -0.02 0.00 -2.36 0.00 0.00 39.78 36.95 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 -0.08 -0.47 1.76 4.83 0.00 -1.26 -4.43 105.19 105.53 1ug1 n GLY 62 Ca 0.37 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.72 0.00 -2.55 1.61 0.31 -1.26 -4.88 118.33 107.85 1ug1 n VAL 63 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1ug1 n VAL 63 Cb 0.52 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 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 -2.38 0.00 -5.03 2.52 5.66 -1.26 -5.16 114.28 108.63 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 -0.17 0.00 -1.55 0.00 0.00 70.33 68.61 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 1.01 2.62 0.07 1.09 1.02 -1.26 -2.88 119.74 121.39 1ug1 s LYS 65 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.27 1ug1 s LYS 65 Cb 0.00 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1ug1 s LYS 65 CO 0.00 0.14 -0.07 0.20 -0.92 0.00 0.00 175.35 174.70 1ug1 s GLY 66 N 0.42 0.61 -0.19 -3.33 0.00 -0.94 -4.81 107.32 99.08 1ug1 s GLY 66 Ca -0.17 -1.04 -0.03 0.00 0.00 0.00 0.00 44.72 43.48 1ug1 s GLY 66 CO 0.07 -1.12 -0.06 -1.36 0.00 0.00 0.00 173.10 170.64 1ug1 s PHE 67 N -2.50 2.94 0.06 1.90 0.40 -0.14 -1.63 117.98 119.00 1ug1 s PHE 67 Ca 0.00 -0.79 -0.05 0.00 -0.60 0.00 0.00 56.93 55.49 1ug1 s PHE 67 Cb -0.02 -2.04 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 1ug1 s PHE 67 CO -0.02 -0.41 0.09 0.14 0.70 0.00 0.00 175.22 175.72 1ug1 s VAL 68 N 1.11 0.16 -0.10 -0.44 -7.23 -0.90 -4.46 120.40 108.55 1ug1 s VAL 68 Ca 0.01 -1.31 -0.29 0.00 -1.81 0.00 0.00 61.98 58.59 1ug1 s VAL 68 Cb -0.15 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 1ug1 s VAL 68 CO -0.01 -0.72 0.98 -0.31 -0.31 0.00 0.00 175.10 174.73 1ug1 s TYR 69 N -3.34 3.53 0.55 2.82 2.02 -1.26 -1.53 117.35 120.13 1ug1 s TYR 69 Ca 0.01 1.56 0.48 0.00 -0.37 0.00 0.00 57.07 58.75 1ug1 s TYR 69 Cb 0.03 -3.15 1.64 0.00 -0.40 0.00 0.00 41.96 40.08 1ug1 s TYR 69 CO -0.08 -0.19 1.51 -1.13 -1.57 0.00 0.00 175.55 174.09 1ug1 n SER 70 N 4.85 0.00 -0.11 2.29 3.41 -1.19 0.19 113.62 123.05 1ug1 n SER 70 Ca 0.08 0.95 -0.05 0.00 -0.26 0.00 0.00 58.87 59.59 1ug1 n SER 70 Cb 0.49 -0.47 0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1ug1 n SER 70 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ug1 h SER 71 N 0.00 -0.03 0.38 4.04 0.87 -1.90 0.33 113.55 117.24 1ug1 h SER 71 Ca 0.89 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.52 1ug1 h SER 71 Cb 3.65 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 65.71 1ug1 h SER 71 CO -0.01 0.02 0.00 0.49 -0.53 0.00 0.00 176.83 176.80 1ug1 n PHE 72 N -5.12 0.00 -4.30 2.24 3.72 0.49 -4.70 117.46 109.79 1ug1 n PHE 72 Ca 0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.19 1ug1 n PHE 72 Cb 0.18 -0.36 -0.07 0.00 -0.94 0.00 0.00 39.48 38.29 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 -2.71 3.15 0.09 4.37 1.43 0.12 0.77 118.68 125.90 1ug1 s LEU 73 Ca 0.13 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 52.64 1ug1 s LEU 73 Cb 0.11 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1ug1 s LEU 73 CO 0.26 0.01 -0.19 -1.59 0.23 0.00 0.00 176.35 175.08 1ug1 s LYS 74 N -3.60 1.02 -0.68 1.70 -2.85 0.87 -4.64 119.74 111.57 1ug1 s LYS 74 Ca 0.31 -1.08 -0.27 0.00 -1.00 0.00 0.00 55.97 53.93 1ug1 s LYS 74 Cb -0.07 -1.20 0.00 0.00 -2.06 0.00 0.00 37.83 34.51 1ug1 s LYS 74 CO 0.19 0.28 1.57 -1.25 0.10 0.00 0.00 175.35 176.24 1ug1 s PRO 75 N -1.82 2.92 0.97 1.78 0.04 -1.26 -0.82 135.00 136.80 1ug1 s PRO 75 Ca 0.04 0.15 -0.12 0.00 0.04 0.00 0.00 61.00 61.11 1ug1 s PRO 75 Cb -0.10 -4.31 0.18 0.00 0.04 0.00 0.00 34.50 30.32 1ug1 s PRO 75 CO 0.03 -2.45 0.42 0.98 0.04 0.00 0.00 177.00 176.02 1ug1 n TYR 76 N 11.05 -2.49 -3.10 0.56 9.36 0.52 -4.94 117.16 128.12 1ug1 n TYR 76 Ca 0.12 -0.03 0.04 0.00 3.32 0.00 0.00 57.90 61.35 1ug1 n TYR 76 Cb 0.50 -1.32 -0.00 0.00 -0.63 0.00 0.00 39.34 37.89 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 -2.00 -0.83 0.00 2.98 3.84 -1.26 -4.97 114.94 112.70 1ug1 s ASN 77 Ca 0.32 -0.02 0.20 0.00 0.21 0.00 0.00 52.86 53.57 1ug1 s ASN 77 Cb -0.06 1.42 1.17 0.00 -0.55 0.00 0.00 41.25 43.23 1ug1 s ASN 77 CO 0.27 -0.14 1.60 -0.81 -2.79 0.00 0.00 177.10 175.23 1ug1 n PRO 78 N 4.93 0.75 -2.16 0.43 -0.04 -1.26 -4.95 135.00 132.71 1ug1 n PRO 78 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1ug1 n PRO 78 Cb 0.57 -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 -4.54 -1.40 0.54 3.00 -1.26 -4.47 116.66 107.62 1ug1 n ARG 79 Ca 0.15 3.36 -0.51 0.00 -0.00 0.00 0.00 57.85 60.84 1ug1 n ARG 79 Cb 0.07 -4.15 -0.05 0.00 0.00 0.00 0.00 32.46 28.33 1ug1 n ARG 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ug1 n ARG 80 N 1.59 0.00 -3.11 -0.14 1.74 -1.26 -2.90 116.66 112.59 1ug1 n ARG 80 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 1ug1 n ARG 80 Cb 0.00 -1.18 0.02 0.00 -1.02 0.00 0.00 32.46 30.28 1ug1 n ARG 80 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ug1 n SER 81 N 1.73 -7.11 -2.68 0.55 7.64 -1.26 -5.00 113.62 107.50 1ug1 n SER 81 Ca 0.18 0.20 -0.05 0.00 1.01 0.00 0.00 58.87 60.21 1ug1 n SER 81 Cb 0.17 -4.17 0.07 0.00 -1.01 0.00 0.00 64.21 59.28 1ug1 n SER 81 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1ug1 n HIS 82 N -0.56 -0.87 -4.01 1.43 -0.00 -1.14 -5.17 115.22 104.91 1ug1 n HIS 82 Ca 0.03 -0.82 -0.09 0.00 -0.00 0.00 0.00 57.72 56.83 1ug1 n HIS 82 Cb 0.54 1.15 -0.06 0.00 -0.00 0.00 0.00 29.99 31.62 1ug1 n HIS 82 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1ug1 s SER 83 N -0.42 -0.06 -0.09 0.26 0.01 -1.26 -4.85 113.70 107.29 1ug1 s SER 83 Ca 0.27 -0.96 -0.30 0.00 1.31 0.00 0.00 55.95 56.27 1ug1 s SER 83 Cb 0.21 0.55 0.12 0.00 0.21 0.00 0.00 66.02 67.11 1ug1 s SER 83 CO -0.10 -1.09 0.98 -0.62 0.41 0.00 0.00 173.24 172.82 1ug1 s ASP 84 N -3.02 -0.32 0.07 2.44 2.15 -1.26 -5.18 116.67 111.54 1ug1 s ASP 84 Ca 0.23 0.12 0.03 0.00 0.43 0.00 0.00 52.55 53.36 1ug1 s ASP 84 Cb 0.00 0.31 -0.03 0.00 -0.30 0.00 0.00 42.92 42.91 1ug1 s ASP 84 CO 0.08 -0.46 -0.09 0.00 -0.17 0.00 0.00 175.17 174.53 1ug1 s ALA 85 N -2.37 0.82 0.25 3.66 0.00 -1.26 -5.12 121.76 117.75 1ug1 s ALA 85 Ca 0.04 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.08 1ug1 s ALA 85 Cb -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1ug1 s ALA 85 CO -0.05 -0.05 0.18 -1.12 0.00 0.00 0.00 175.76 174.73 1ug1 s SER 86 N -2.06 5.44 -0.01 0.00 0.01 -1.26 -5.12 113.70 110.70 1ug1 s SER 86 Ca -0.02 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 56.95 1ug1 s SER 86 Cb -0.06 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.79 1ug1 s SER 86 CO -0.01 -0.04 0.06 -0.55 0.41 0.00 0.00 173.24 173.11 1ug1 s SER 87 N -3.83 5.53 0.62 2.44 0.15 -1.26 -5.11 113.70 112.24 1ug1 s SER 87 Ca 0.33 0.11 -0.13 0.00 0.70 0.00 0.00 55.95 56.96 1ug1 s SER 87 Cb -0.08 -1.56 -0.03 0.00 -1.71 0.00 0.00 66.02 62.65 1ug1 s SER 87 CO 0.25 0.28 1.04 -0.83 1.20 0.00 0.00 173.24 175.18 1ug1 s GLY 88 N -1.63 1.89 1.02 9.45 0.00 -1.26 -5.05 107.32 111.74 1ug1 s GLY 88 Ca 0.21 0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.96 1ug1 s GLY 88 CO 0.12 0.49 1.19 2.56 0.00 0.00 0.00 173.10 177.46 1ug1 s PRO 89 N -4.57 0.20 0.32 2.90 0.04 -1.26 -5.09 135.00 127.53 1ug1 s PRO 89 Ca 0.60 -0.06 0.05 0.00 0.04 0.00 0.00 61.00 61.63 1ug1 s PRO 89 Cb -0.14 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 1ug1 s PRO 89 CO 0.45 -2.76 0.01 0.45 0.04 0.00 0.00 177.00 175.19 1ug1 s SER 90 N -4.27 2.66 1.04 6.66 0.15 -1.26 -5.13 113.70 113.55 1ug1 s SER 90 Ca 0.69 -1.30 -0.15 0.00 0.70 0.00 0.00 55.95 55.89 1ug1 s SER 90 Cb -0.09 -0.15 0.10 0.00 -1.71 0.00 0.00 66.02 64.17 1ug1 s SER 90 CO 0.54 -0.49 0.37 -1.54 1.20 0.00 0.00 173.24 173.32 1ug1 n SER 91 N -0.67 -1.97 0.00 5.45 3.41 -1.26 -5.36 113.62 113.22 1ug1 n SER 91 Ca -0.04 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1ug1 n SER 91 Cb 0.65 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1ug1 n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49