#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucl s VAL 2 N 0.00 4.92 -1.42 2.53 1.01 -1.25 -4.65 120.40 121.54 1ucl s VAL 2 Ca 0.00 1.45 -0.10 0.00 0.00 0.00 0.00 61.98 63.33 1ucl s VAL 2 Cb 0.00 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.41 1ucl s VAL 2 CO 0.00 0.33 2.31 -1.20 0.00 0.00 0.00 175.10 176.54 1ucl n SER 3 N 3.23 6.04 -0.42 3.32 7.64 0.15 -4.96 113.62 128.62 1ucl n SER 3 Ca -0.03 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 56.93 1ucl n SER 3 Cb 0.51 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1ucl n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ucl n GLY 4 N 3.16 -0.44 3.54 0.23 0.00 -1.26 -4.60 105.19 105.81 1ucl n GLY 4 Ca 0.56 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 1ucl n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ucl s THR 5 N 0.00 2.97 -0.06 2.61 2.01 -1.26 -1.03 115.64 120.88 1ucl s THR 5 Ca 0.00 -1.94 -0.05 0.00 0.31 0.00 0.00 61.69 60.01 1ucl s THR 5 Cb 0.00 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 70.01 1ucl s THR 5 CO 0.00 -0.24 0.15 0.54 -0.69 0.00 0.00 174.62 174.38 1ucl s VAL 6 N -2.02 0.00 0.42 3.82 0.11 0.58 -4.86 120.40 118.45 1ucl s VAL 6 Ca 0.27 -0.01 -0.25 0.00 -2.93 0.00 0.00 61.98 59.07 1ucl s VAL 6 Cb -0.07 -0.22 -0.08 0.00 -1.53 0.00 0.00 36.38 34.48 1ucl s VAL 6 CO 0.15 -0.00 1.18 0.00 -3.33 0.00 0.00 175.10 173.10 1ucl h LEU 8 N 2.45 0.90 -1.70 0.00 5.85 -0.76 -1.07 115.31 120.99 1ucl h LEU 8 Ca -0.49 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1ucl h LEU 8 Cb 1.24 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1ucl h LEU 8 CO 0.62 0.68 0.00 0.77 -0.34 0.00 0.00 178.44 180.17 1ucl h SER 9 N 1.05 0.00 0.42 1.25 4.64 -1.68 -1.78 113.55 117.45 1ucl h SER 9 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ucl h SER 9 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1ucl h SER 9 CO -0.06 0.00 -0.53 0.00 -0.87 0.00 0.00 176.83 175.38 1ucl n ALA 10 N -1.93 3.63 -2.09 5.18 0.00 -0.41 -4.92 120.51 119.98 1ucl n ALA 10 Ca -0.01 -0.38 -0.22 0.00 0.00 0.00 0.00 53.44 52.83 1ucl n ALA 10 Cb 0.15 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 18.54 1ucl n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ucl s LEU 11 N -2.95 3.40 0.61 0.00 1.43 -0.67 -5.02 118.68 115.49 1ucl s LEU 11 Ca 0.12 0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.13 1ucl s LEU 11 Cb 0.18 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 1ucl s LEU 11 CO 0.70 -0.99 1.13 -2.65 0.23 0.00 0.00 176.35 174.77 1ucl n PRO 12 N -2.26 1.06 0.11 1.29 -0.02 -1.26 -4.84 135.00 129.08 1ucl n PRO 12 Ca 0.06 0.41 0.17 0.00 -2.02 0.00 0.00 63.50 62.12 1ucl n PRO 12 Cb 0.59 -2.35 0.72 0.00 -0.02 0.00 0.00 33.50 32.44 1ucl n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ucl h PRO 13 N 0.60 0.00 0.00 0.52 0.13 -1.95 -0.55 132.00 130.75 1ucl h PRO 13 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1ucl h PRO 13 Cb 1.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ucl h PRO 13 CO 0.52 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 179.18 1ucl h GLU 14 N 0.00 0.00 -0.55 0.86 3.07 -1.88 -1.41 114.58 114.67 1ucl h GLU 14 Ca 0.15 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.93 1ucl h GLU 14 Cb 0.66 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 1ucl h GLU 14 CO -0.00 0.04 -0.01 0.00 -1.40 0.00 0.00 179.01 177.64 1ucl h ALA 15 N 1.96 0.96 -0.59 3.43 0.00 -1.43 -0.76 119.26 122.82 1ucl h ALA 15 Ca -0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1ucl h ALA 15 Cb 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ucl h ALA 15 CO 0.01 0.63 0.09 1.15 0.00 0.00 0.00 179.25 181.13 1ucl h THR 16 N 0.87 1.26 -0.30 0.00 2.02 -1.39 -1.90 112.91 113.47 1ucl h THR 16 Ca 0.16 -1.00 0.02 0.00 0.77 0.00 0.00 66.41 66.35 1ucl h THR 16 Cb 0.52 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1ucl h THR 16 CO 0.03 0.37 0.16 0.44 0.37 0.00 0.00 175.52 176.88 1ucl h ASP 17 N 0.88 0.25 -0.35 4.18 3.32 -1.15 -0.82 116.42 122.73 1ucl h ASP 17 Ca 0.18 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.28 1ucl h ASP 17 Cb 0.43 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1ucl h ASP 17 CO 0.01 0.18 0.11 0.74 -1.72 0.00 0.00 179.24 178.57 1ucl h THR 18 N 0.33 0.89 -0.56 0.35 2.02 -0.91 -1.58 112.91 113.45 1ucl h THR 18 Ca 0.12 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 1ucl h THR 18 Cb 0.02 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1ucl h THR 18 CO -0.07 0.05 0.22 -0.07 0.37 0.00 0.00 175.52 176.02 1ucl h LEU 19 N 0.26 0.74 -0.93 2.58 3.38 -1.00 -1.25 115.31 119.10 1ucl h LEU 19 Ca 0.16 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1ucl h LEU 19 Cb 0.14 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1ucl h LEU 19 CO -0.17 0.67 -0.02 0.78 0.09 0.00 0.00 178.44 179.79 1ucl h ASN 20 N 0.81 0.74 -0.21 -0.43 2.35 -0.45 -1.15 115.58 117.23 1ucl h ASN 20 Ca 0.19 -0.18 -0.16 0.00 -0.55 0.00 0.00 56.30 55.60 1ucl h ASN 20 Cb 0.16 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1ucl h ASN 20 CO -0.02 0.82 -0.46 -0.07 -1.65 0.00 0.00 177.43 176.05 1ucl h LEU 21 N 0.71 0.83 -1.13 1.61 3.38 -0.79 -2.84 115.31 117.09 1ucl h LEU 21 Ca 0.14 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1ucl h LEU 21 Cb 0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1ucl h LEU 21 CO 0.02 1.16 0.17 0.40 0.09 0.00 0.00 178.44 180.28 1ucl h ILE 22 N 0.62 1.21 0.00 1.22 2.04 -0.88 0.27 117.51 121.99 1ucl h ILE 22 Ca 0.04 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1ucl h ILE 22 Cb 1.02 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1ucl h ILE 22 CO 0.10 0.27 -0.15 0.00 0.00 0.00 0.00 178.15 178.37 1ucl h ALA 23 N 1.42 1.61 -0.51 1.87 0.00 -0.98 -2.02 119.26 120.65 1ucl h ALA 23 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ucl h ALA 23 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ucl h ALA 23 CO -0.01 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.29 1ucl n SER 24 N -4.15 3.39 -3.37 0.00 3.41 -0.78 -4.95 113.62 107.16 1ucl n SER 24 Ca -0.02 -1.98 -0.24 0.00 -0.26 0.00 0.00 58.87 56.37 1ucl n SER 24 Cb 0.22 -0.34 0.05 0.00 -0.26 0.00 0.00 64.21 63.89 1ucl n SER 24 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ucl n ASP 25 N 1.11 -6.09 0.00 4.04 8.00 -0.40 -4.70 116.55 118.51 1ucl n ASP 25 Ca 0.18 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1ucl n ASP 25 Cb 0.52 -4.85 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 1ucl n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ucl n GLY 26 N -1.76 -1.12 3.70 0.44 0.00 0.81 -4.84 105.19 102.43 1ucl n GLY 26 Ca -0.04 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 1ucl n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ucl s PRO 27 N 0.00 1.56 0.25 1.61 0.04 -1.26 -5.00 135.00 132.21 1ucl s PRO 27 Ca 0.00 1.67 0.08 0.00 0.04 0.00 0.00 61.00 62.78 1ucl s PRO 27 Cb 0.00 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1ucl s PRO 27 CO 0.00 -2.25 0.14 -0.06 0.04 0.00 0.00 177.00 174.87 1ucl s PHE 28 N -2.31 3.00 0.44 0.56 0.08 -1.26 -5.01 117.98 113.48 1ucl s PHE 28 Ca 0.71 -0.14 0.24 0.00 0.12 0.00 0.00 56.93 57.86 1ucl s PHE 28 Cb -0.26 -1.35 1.34 0.00 -0.57 0.00 0.00 43.02 42.18 1ucl s PHE 28 CO 0.52 0.55 2.06 -1.00 -0.10 0.00 0.00 175.22 177.25 1ucl h PRO 29 N 1.62 0.00 -5.16 0.24 0.13 -1.98 -3.40 132.00 123.44 1ucl h PRO 29 Ca -0.47 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 1ucl h PRO 29 Cb 1.24 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.03 1ucl h PRO 29 CO 0.61 0.13 -0.87 0.71 -0.23 0.00 0.00 178.00 178.35 1ucl s TYR 30 N -4.35 2.53 0.58 1.56 2.02 -1.26 -4.99 117.35 113.44 1ucl s TYR 30 Ca -0.03 -1.21 0.41 0.00 -0.37 0.00 0.00 57.07 55.87 1ucl s TYR 30 Cb 0.14 -1.73 2.22 0.00 -0.40 0.00 0.00 41.96 42.19 1ucl s TYR 30 CO 0.62 -0.54 2.25 0.66 -1.57 0.00 0.00 175.55 176.96 1ucl h SER 31 N 7.18 0.00 1.09 2.29 4.64 -2.03 0.97 113.55 127.69 1ucl h SER 31 Ca -0.29 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.92 1ucl h SER 31 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1ucl h SER 31 CO 0.52 0.00 -0.51 -0.61 -0.87 0.00 0.00 176.83 175.36 1ucl h GLN 32 N 0.00 0.00 -6.50 4.77 -0.00 -1.95 -3.45 115.11 107.98 1ucl h GLN 32 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 58.65 58.07 1ucl h GLN 32 Cb 0.08 0.00 0.06 0.00 0.00 0.00 0.00 27.48 27.62 1ucl h GLN 32 CO 0.00 0.51 0.80 -0.25 0.00 0.00 0.00 178.83 179.90 1ucl n ASP 33 N -3.41 3.09 0.00 -0.69 8.00 0.33 -1.92 116.55 121.96 1ucl n ASP 33 Ca 0.01 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.59 1ucl n ASP 33 Cb 0.65 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 1ucl n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ucl n GLY 34 N 3.44 0.68 3.76 0.44 0.00 -0.12 -4.96 105.19 108.42 1ucl n GLY 34 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1ucl n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ucl s VAL 35 N -2.00 3.23 0.33 1.61 -7.23 -0.81 -4.70 120.40 110.84 1ucl s VAL 35 Ca 0.00 0.40 -0.28 0.00 -1.81 0.00 0.00 61.98 60.29 1ucl s VAL 35 Cb 0.00 -2.87 -0.10 0.00 0.56 0.00 0.00 36.38 33.97 1ucl s VAL 35 CO 0.00 -0.52 1.26 -0.69 -0.31 0.00 0.00 175.10 174.83 1ucl s VAL 36 N -2.90 2.89 -0.27 1.32 1.01 -1.26 -1.39 120.40 119.80 1ucl s VAL 36 Ca 0.62 0.88 -0.09 0.00 0.00 0.00 0.00 61.98 63.38 1ucl s VAL 36 Cb -0.17 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1ucl s VAL 36 CO 0.56 0.20 0.14 0.12 0.00 0.00 0.00 175.10 176.12 1ucl s PHE 37 N -1.17 3.16 -0.21 5.22 5.36 0.42 -4.70 117.98 126.06 1ucl s PHE 37 Ca 0.49 -0.13 0.29 0.00 -0.96 0.00 0.00 56.93 56.62 1ucl s PHE 37 Cb -0.38 -2.32 1.01 0.00 -0.34 0.00 0.00 43.02 40.99 1ucl s PHE 37 CO 0.49 -0.25 1.83 1.96 -1.46 0.00 0.00 175.22 177.79 1ucl h GLN 38 N 8.32 0.00 -6.36 10.12 4.20 -1.95 -3.39 115.11 126.06 1ucl h GLN 38 Ca -0.36 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 57.86 1ucl h GLN 38 Cb 1.18 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.91 1ucl h GLN 38 CO 0.56 0.00 -0.77 -1.71 -0.67 0.00 0.00 178.83 176.25 1ucl n ASN 39 N -2.85 -4.61 -0.34 1.46 5.15 -1.26 -4.83 115.26 107.97 1ucl n ASN 39 Ca 0.02 -0.81 0.18 0.00 -0.60 0.00 0.00 54.58 53.37 1ucl n ASN 39 Cb 0.36 -3.75 0.40 0.00 -0.53 0.00 0.00 39.78 36.25 1ucl n ASN 39 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1ucl h ARG 40 N -2.02 0.56 -0.25 1.20 9.65 -2.00 -0.14 114.38 121.38 1ucl h ARG 40 Ca -0.58 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.26 1ucl h ARG 40 Cb 1.38 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1ucl h ARG 40 CO 0.68 0.37 0.00 0.39 2.80 0.00 0.00 179.97 184.21 1ucl n GLU 41 N -4.84 1.81 -3.23 0.20 4.71 -1.26 -4.94 120.64 113.08 1ucl n GLU 41 Ca 0.26 -1.23 -0.23 0.00 -0.01 0.00 0.00 57.16 55.95 1ucl n GLU 41 Cb 0.75 -1.37 0.02 0.00 -1.01 0.00 0.00 31.44 29.83 1ucl n GLU 41 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1ucl n SER 42 N 0.46 -5.04 -0.02 1.62 2.88 -0.07 -4.87 113.62 108.59 1ucl n SER 42 Ca 0.15 -0.36 -0.14 0.00 -1.33 0.00 0.00 58.87 57.19 1ucl n SER 42 Cb 0.34 -4.09 -0.02 0.00 -0.75 0.00 0.00 64.21 59.68 1ucl n SER 42 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1ucl h VAL 43 N -1.30 1.30 -2.81 2.46 2.07 -1.92 -3.39 116.25 112.67 1ucl h VAL 43 Ca -0.49 -1.90 -0.45 0.00 0.82 0.00 0.00 66.70 64.67 1ucl h VAL 43 Cb 1.33 1.86 0.04 0.00 -1.52 0.00 0.00 31.29 33.01 1ucl h VAL 43 CO 0.56 0.60 -0.04 -0.76 0.02 0.00 0.00 177.57 177.95 1ucl s LEU 44 N -8.39 3.47 0.49 2.57 1.43 -1.26 -0.40 118.68 116.59 1ucl s LEU 44 Ca -0.09 0.25 -0.23 0.00 -1.03 0.00 0.00 54.13 53.03 1ucl s LEU 44 Cb 0.10 -3.12 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 1ucl s LEU 44 CO 0.88 -0.89 1.23 -2.65 0.23 0.00 0.00 176.35 175.14 1ucl n PRO 45 N -2.23 1.65 -1.95 1.29 -0.02 -1.26 -4.89 135.00 127.59 1ucl n PRO 45 Ca 0.04 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 1ucl n PRO 45 Cb 0.58 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1ucl n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ucl s THR 46 N -1.28 3.07 0.15 3.45 2.01 -1.26 -4.99 115.64 116.79 1ucl s THR 46 Ca 0.67 0.53 -0.06 0.00 0.31 0.00 0.00 61.69 63.13 1ucl s THR 46 Cb -0.47 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1ucl s THR 46 CO 0.54 -0.00 0.21 -1.10 -0.69 0.00 0.00 174.62 173.58 1ucl s GLN 47 N 2.57 1.08 0.73 4.92 -1.52 -1.26 -5.16 119.66 121.03 1ucl s GLN 47 Ca 0.73 -1.26 -0.11 0.00 -1.95 0.00 0.00 55.36 52.77 1ucl s GLN 47 Cb -0.39 0.33 0.03 0.00 -0.22 0.00 0.00 33.01 32.76 1ucl s GLN 47 CO 0.32 -0.37 1.08 -1.54 -0.25 0.00 0.00 175.29 174.53 1ucl s SER 48 N -2.99 4.88 0.19 5.90 1.04 -1.26 -4.92 113.70 116.54 1ucl s SER 48 Ca 0.19 1.78 -0.33 0.00 0.48 0.00 0.00 55.95 58.07 1ucl s SER 48 Cb 0.05 -2.52 -0.13 0.00 0.10 0.00 0.00 66.02 63.52 1ucl s SER 48 CO 0.00 -1.78 1.59 0.00 0.98 0.00 0.00 173.24 174.03 1ucl n TYR 49 N -3.24 2.42 -0.01 5.02 9.36 -1.26 -1.93 117.16 127.51 1ucl n TYR 49 Ca 0.09 0.24 0.00 0.00 3.32 0.00 0.00 57.90 61.54 1ucl n TYR 49 Cb 0.53 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 1ucl n TYR 49 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ucl n GLY 50 N 3.26 0.24 0.16 2.98 0.00 -1.26 -4.93 105.19 105.64 1ucl n GLY 50 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 1ucl n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ucl h TYR 51 N 0.00 0.21 -3.55 1.61 5.03 -1.71 -3.44 116.97 115.12 1ucl h TYR 51 Ca 0.00 -0.08 -0.67 0.00 2.58 0.00 0.00 58.73 60.56 1ucl h TYR 51 Cb 0.00 -0.04 -0.16 0.00 1.55 0.00 0.00 36.73 38.08 1ucl h TYR 51 CO 0.00 0.74 -0.69 0.71 -1.32 0.00 0.00 178.16 177.60 1ucl s TYR 52 N -3.68 2.91 0.04 -3.82 2.02 -1.26 -1.85 117.35 111.71 1ucl s TYR 52 Ca -0.03 -0.03 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 1ucl s TYR 52 Cb 0.12 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 1ucl s TYR 52 CO 0.79 0.40 -0.07 -1.01 -1.57 0.00 0.00 175.55 174.09 1ucl s HIS 53 N -1.05 0.59 0.06 2.71 3.76 -0.86 -0.43 115.29 120.06 1ucl s HIS 53 Ca 0.18 -0.48 0.08 0.00 -0.15 0.00 0.00 55.06 54.69 1ucl s HIS 53 Cb -0.11 -0.36 -0.03 0.00 1.11 0.00 0.00 32.58 33.19 1ucl s HIS 53 CO 0.09 -0.10 -0.19 -1.83 -0.85 0.00 0.00 174.74 171.86 1ucl s GLU 54 N -1.48 1.97 0.03 1.40 -1.05 -0.48 -0.52 118.70 118.55 1ucl s GLU 54 Ca -0.10 -1.04 0.02 0.00 -0.15 0.00 0.00 54.97 53.69 1ucl s GLU 54 Cb -0.10 -2.14 -0.02 0.00 -0.44 0.00 0.00 34.13 31.43 1ucl s GLU 54 CO 0.00 0.52 -0.07 0.71 0.95 0.00 0.00 175.26 177.38 1ucl s TYR 55 N -0.96 0.60 0.26 4.83 1.51 -0.25 -0.95 117.35 122.39 1ucl s TYR 55 Ca 0.15 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 1ucl s TYR 55 Cb -0.10 -0.36 -0.09 0.00 -0.11 0.00 0.00 41.96 41.29 1ucl s TYR 55 CO 0.06 -0.06 1.01 0.99 -1.11 0.00 0.00 175.55 176.43 1ucl s THR 56 N -1.02 3.83 -0.33 -0.71 2.01 -1.26 -1.14 115.64 117.02 1ucl s THR 56 Ca -0.07 1.84 -0.01 0.00 0.31 0.00 0.00 61.69 63.76 1ucl s THR 56 Cb -0.08 -4.17 0.07 0.00 0.01 0.00 0.00 72.50 68.33 1ucl s THR 56 CO 0.00 0.44 0.05 -0.89 -0.69 0.00 0.00 174.62 173.53 1ucl s THR 57 N -1.16 2.98 0.25 -0.82 2.01 -0.88 -4.77 115.64 113.26 1ucl s THR 57 Ca 0.43 -1.61 -0.31 0.00 0.31 0.00 0.00 61.69 60.50 1ucl s THR 57 Cb -0.28 -2.83 -0.13 0.00 0.01 0.00 0.00 72.50 69.27 1ucl s THR 57 CO 0.36 -0.27 1.44 -0.38 -0.69 0.00 0.00 174.62 175.08 1ucl n ILE 58 N 4.58 0.99 -3.65 1.82 5.41 -1.26 -4.38 119.36 122.87 1ucl n ILE 58 Ca -0.09 -0.25 -0.38 0.00 1.00 0.00 0.00 62.75 63.03 1ucl n ILE 58 Cb 0.43 -1.58 -0.12 0.00 -0.71 0.00 0.00 39.64 37.67 1ucl n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1ucl s THR 59 N -0.08 4.87 0.17 1.39 2.01 -1.26 -4.80 115.64 117.93 1ucl s THR 59 Ca 0.67 -0.05 -0.33 0.00 0.31 0.00 0.00 61.69 62.28 1ucl s THR 59 Cb -0.62 -3.34 -0.15 0.00 0.01 0.00 0.00 72.50 68.40 1ucl s THR 59 CO 0.50 0.24 1.33 -2.65 -0.69 0.00 0.00 174.62 173.34 1ucl n PRO 60 N 5.01 1.53 0.00 4.92 -0.02 -1.26 -1.82 135.00 143.36 1ucl n PRO 60 Ca -0.15 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1ucl n PRO 60 Cb 0.51 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1ucl n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ucl n GLY 61 N 2.37 2.86 3.75 -1.23 0.00 -1.26 -5.01 105.19 106.68 1ucl n GLY 61 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ucl n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ucl s ALA 62 N -2.83 3.40 -0.14 4.61 0.00 -0.76 -4.92 121.76 121.12 1ucl s ALA 62 Ca 0.00 0.88 0.16 0.00 0.00 0.00 0.00 51.96 52.99 1ucl s ALA 62 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1ucl s ALA 62 CO 0.00 -0.20 1.22 0.00 0.00 0.00 0.00 175.76 176.78 1ucl h ARG 63 N 4.39 0.00 0.00 0.00 3.08 -1.95 -3.47 114.38 116.43 1ucl h ARG 63 Ca -0.46 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.23 1ucl h ARG 63 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1ucl h ARG 63 CO 0.70 0.43 -0.12 0.25 -1.07 0.00 0.00 179.97 180.15 1ucl n THR 64 N -3.10 0.00 0.47 2.04 -2.24 -1.26 -5.00 114.28 105.19 1ucl n THR 64 Ca -0.02 -1.39 0.09 0.00 -2.27 0.00 0.00 64.05 60.46 1ucl n THR 64 Cb 0.77 -0.40 0.39 0.00 -2.10 0.00 0.00 70.33 68.99 1ucl n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ucl n ARG 65 N -1.58 0.08 0.00 -0.78 1.74 -1.26 -4.85 116.66 110.01 1ucl n ARG 65 Ca 0.04 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 1ucl n ARG 65 Cb 0.41 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1ucl n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ucl n GLY 66 N 0.04 -0.66 0.37 -0.13 0.00 -1.26 -4.40 105.19 99.15 1ucl n GLY 66 Ca 0.03 -1.14 0.04 0.00 0.00 0.00 0.00 46.02 44.95 1ucl n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ucl n THR 67 N 0.00 0.09 -3.74 2.61 -2.24 -1.26 -4.92 114.28 104.81 1ucl n THR 67 Ca 0.00 -0.54 -0.36 0.00 -2.27 0.00 0.00 64.05 60.88 1ucl n THR 67 Cb 0.00 1.13 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 1ucl n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ucl s ARG 68 N -0.76 3.93 0.10 -0.78 0.52 -1.26 -1.13 118.95 119.58 1ucl s ARG 68 Ca 0.11 -0.12 -0.12 0.00 -0.52 0.00 0.00 55.73 55.09 1ucl s ARG 68 Cb 0.08 -3.33 0.01 0.00 0.52 0.00 0.00 34.95 32.22 1ucl s ARG 68 CO 0.11 0.47 0.27 1.03 0.02 0.00 0.00 175.30 177.21 1ucl s ARG 69 N -0.16 0.94 -0.12 3.54 1.81 -0.43 -2.07 118.95 122.45 1ucl s ARG 69 Ca 0.12 -0.86 0.02 0.00 -1.72 0.00 0.00 55.73 53.29 1ucl s ARG 69 Cb -0.12 0.39 0.01 0.00 -0.45 0.00 0.00 34.95 34.79 1ucl s ARG 69 CO 0.02 -0.33 -0.19 0.42 -0.68 0.00 0.00 175.30 174.54 1ucl s ILE 70 N -3.84 1.76 -0.23 1.52 1.01 -0.29 -1.58 121.20 119.55 1ucl s ILE 70 Ca 0.04 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 1ucl s ILE 70 Cb 0.04 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1ucl s ILE 70 CO -0.11 0.49 0.04 -0.63 0.00 0.00 0.00 174.94 174.73 1ucl s ILE 71 N 0.86 4.18 0.14 2.92 1.09 0.10 -1.09 121.20 129.40 1ucl s ILE 71 Ca -0.08 -0.22 -0.14 0.00 -1.10 0.00 0.00 60.65 59.11 1ucl s ILE 71 Cb -0.15 -2.93 -0.07 0.00 -1.06 0.00 0.00 42.46 38.25 1ucl s ILE 71 CO -0.01 0.38 0.54 0.42 -0.10 0.00 0.00 174.94 176.17 1ucl s THR 72 N 1.32 4.87 0.11 2.92 -4.23 0.32 -0.08 115.64 120.87 1ucl s THR 72 Ca 0.05 0.80 0.06 0.00 -1.18 0.00 0.00 61.69 61.42 1ucl s THR 72 Cb -0.15 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 1ucl s THR 72 CO 0.02 0.24 -0.05 -0.83 -0.54 0.00 0.00 174.62 173.47 1ucl s GLY 73 N -1.73 1.84 0.42 3.99 0.00 0.01 -2.03 107.32 109.82 1ucl s GLY 73 Ca 0.38 -1.21 0.29 0.00 0.00 0.00 0.00 44.72 44.18 1ucl s GLY 73 CO 0.19 -1.19 1.88 0.83 0.00 0.00 0.00 173.10 174.81 1ucl h GLU 74 N 3.41 0.00 -7.18 2.90 4.39 -1.65 -3.41 114.58 113.04 1ucl h GLU 74 Ca -0.48 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 58.71 1ucl h GLU 74 Cb 1.17 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.93 1ucl h GLU 74 CO 0.56 0.00 0.39 0.00 -1.16 0.00 0.00 179.01 178.80 1ucl s ALA 75 N -3.56 2.46 0.18 3.43 0.00 -1.26 -4.93 121.76 118.07 1ucl s ALA 75 Ca 0.01 0.63 -0.32 0.00 0.00 0.00 0.00 51.96 52.28 1ucl s ALA 75 Cb 0.09 -3.34 -0.12 0.00 0.00 0.00 0.00 23.12 19.75 1ucl s ALA 75 CO 0.43 -1.28 1.71 2.41 0.00 0.00 0.00 175.76 179.03 1ucl n THR 76 N -2.30 0.07 -2.03 0.00 -1.04 -1.26 -2.16 114.28 105.56 1ucl n THR 76 Ca 0.11 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.90 1ucl n THR 76 Cb 0.52 -1.89 -0.04 0.00 -1.82 0.00 0.00 70.33 67.09 1ucl n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ucl n GLN 77 N 4.17 -1.53 -3.42 -2.82 1.13 -1.26 -4.96 117.38 108.70 1ucl n GLN 77 Ca 0.17 1.09 -0.44 0.00 -1.94 0.00 0.00 57.00 55.88 1ucl n GLN 77 Cb 0.34 -5.60 -0.09 0.00 0.11 0.00 0.00 30.24 25.00 1ucl n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1ucl s GLU 78 N -4.43 2.98 -0.05 -1.09 2.12 -0.92 -4.92 118.70 112.40 1ucl s GLU 78 Ca 0.00 -1.17 -0.04 0.00 0.36 0.00 0.00 54.97 54.12 1ucl s GLU 78 Cb 0.00 -4.05 0.01 0.00 0.26 0.00 0.00 34.13 30.35 1ucl s GLU 78 CO 0.00 -0.89 0.13 -0.51 -0.54 0.00 0.00 175.26 173.45 1ucl s ASP 79 N 2.13 -0.14 -0.03 -1.70 1.01 -1.26 -0.81 116.67 115.87 1ucl s ASP 79 Ca 0.05 0.27 0.08 0.00 0.71 0.00 0.00 52.55 53.65 1ucl s ASP 79 Cb -0.21 0.27 -0.02 0.00 1.01 0.00 0.00 42.92 43.96 1ucl s ASP 79 CO 0.09 -0.05 -0.25 -0.31 0.21 0.00 0.00 175.17 174.85 1ucl s TYR 80 N 0.15 2.36 -0.12 4.23 2.02 0.89 -0.18 117.35 126.71 1ucl s TYR 80 Ca -0.01 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.20 1ucl s TYR 80 Cb -0.02 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 40.00 1ucl s TYR 80 CO -0.00 -0.06 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.37 1ucl s TYR 81 N -0.54 2.93 -0.04 2.71 5.04 0.32 0.00 117.35 127.78 1ucl s TYR 81 Ca 0.08 -0.28 0.04 0.00 -2.44 0.00 0.00 57.07 54.47 1ucl s TYR 81 Cb -0.11 -1.84 -0.00 0.00 0.35 0.00 0.00 41.96 40.36 1ucl s TYR 81 CO -0.00 0.04 -0.16 -0.08 -1.34 0.00 0.00 175.55 174.01 1ucl s THR 82 N -0.05 1.33 -0.50 4.34 -1.32 -0.61 -1.63 115.64 117.19 1ucl s THR 82 Ca -0.00 -0.66 0.04 0.00 -1.21 0.00 0.00 61.69 59.86 1ucl s THR 82 Cb -0.13 -1.15 0.03 0.00 -1.51 0.00 0.00 72.50 69.73 1ucl s THR 82 CO 0.03 0.39 0.61 0.61 -2.21 0.00 0.00 174.62 174.05 1ucl n GLY 83 N 3.22 -1.01 2.18 6.08 0.00 -1.26 -1.32 105.19 113.09 1ucl n GLY 83 Ca -0.18 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1ucl n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ucl n ASP 84 N 0.19 4.51 -3.57 1.61 5.68 -1.22 -4.48 116.55 119.27 1ucl n ASP 84 Ca 0.02 -3.57 -0.27 0.00 -0.50 0.00 0.00 54.79 50.48 1ucl n ASP 84 Cb 0.10 -0.38 0.05 0.00 -1.14 0.00 0.00 41.12 39.76 1ucl n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1ucl n HIS 85 N -0.65 -2.06 -0.89 2.11 -0.00 -0.28 -2.69 115.22 110.76 1ucl n HIS 85 Ca 0.39 0.56 0.00 0.00 -0.00 0.00 0.00 57.72 58.67 1ucl n HIS 85 Cb 0.90 -3.63 0.00 0.00 -0.00 0.00 0.00 29.99 27.26 1ucl n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1ucl n TYR 86 N -3.94 0.00 0.00 1.57 4.01 -1.26 -4.89 117.16 112.66 1ucl n TYR 86 Ca -0.09 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.52 1ucl n TYR 86 Cb 0.60 -0.88 -0.10 0.00 -0.31 0.00 0.00 39.34 38.66 1ucl n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ucl h ALA 87 N 0.00 -0.05 -2.46 -0.72 0.00 -1.91 -3.46 119.26 110.66 1ucl h ALA 87 Ca 0.00 -0.24 -0.40 0.00 0.00 0.00 0.00 54.91 54.28 1ucl h ALA 87 Cb 0.28 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.93 1ucl h ALA 87 CO 0.00 -0.28 -0.74 0.95 0.00 0.00 0.00 179.25 179.18 1ucl s THR 88 N -4.24 1.41 0.02 0.00 -4.23 -1.26 -5.05 115.64 102.29 1ucl s THR 88 Ca -0.16 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.37 1ucl s THR 88 Cb 0.02 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 1ucl s THR 88 CO 0.65 -0.58 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.75 1ucl s PHE 89 N -2.79 0.34 -0.02 3.99 0.08 -1.26 -4.38 117.98 113.94 1ucl s PHE 89 Ca 0.16 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.83 1ucl s PHE 89 Cb -0.01 -0.22 0.00 0.00 -0.57 0.00 0.00 43.02 42.22 1ucl s PHE 89 CO 0.03 -0.12 -0.08 -1.12 -0.10 0.00 0.00 175.22 173.83 1ucl s SER 90 N -1.14 1.10 0.14 1.36 0.01 -0.65 0.29 113.70 114.82 1ucl s SER 90 Ca -0.10 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.68 1ucl s SER 90 Cb -0.08 -0.25 -0.08 0.00 0.21 0.00 0.00 66.02 65.83 1ucl s SER 90 CO -0.00 0.07 1.29 -0.22 0.41 0.00 0.00 173.24 174.79 1ucl s LEU 91 N 0.09 4.40 -0.14 2.44 2.96 -0.20 -0.52 118.68 127.71 1ucl s LEU 91 Ca -0.01 2.27 -0.20 0.00 -0.22 0.00 0.00 54.13 55.96 1ucl s LEU 91 Cb -0.07 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1ucl s LEU 91 CO 0.00 -0.52 0.60 -0.63 -1.32 0.00 0.00 176.35 174.47 1ucl s ILE 92 N 0.57 5.08 -0.46 6.68 1.01 0.75 -0.31 121.20 134.52 1ucl s ILE 92 Ca 0.59 1.17 -0.12 0.00 0.00 0.00 0.00 60.65 62.28 1ucl s ILE 92 Cb -0.34 -3.92 0.09 0.00 0.01 0.00 0.00 42.46 38.30 1ucl s ILE 92 CO 0.34 0.21 0.35 -0.62 0.00 0.00 0.00 174.94 175.22 1ucl s ASP 93 N 0.93 5.86 0.00 3.58 -1.08 0.16 -4.62 116.67 121.51 1ucl s ASP 93 Ca 0.30 -1.60 0.21 0.00 -0.52 0.00 0.00 52.55 50.94 1ucl s ASP 93 Cb -0.16 -2.08 1.06 0.00 -1.46 0.00 0.00 42.92 40.28 1ucl s ASP 93 CO 0.12 -0.65 1.68 0.00 0.52 0.00 0.00 175.17 176.84 1ucl n GLN 94 N 5.04 0.28 0.00 4.34 6.02 -1.26 -1.43 117.38 130.37 1ucl n GLN 94 Ca -0.11 0.09 0.15 0.00 -0.01 0.00 0.00 57.00 57.12 1ucl n GLN 94 Cb 0.42 -1.50 0.67 0.00 1.02 0.00 0.00 30.24 30.85 1ucl n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ucl n THR 95 N -1.30 0.00 -1.33 5.09 -2.24 -1.26 -4.88 114.28 108.36 1ucl n THR 95 Ca 0.10 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ucl n THR 95 Cb 0.18 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1ucl n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50