#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucj s VAL 2 N 0.00 4.86 -1.37 2.53 1.01 -1.25 -4.65 120.40 121.52 1ucj s VAL 2 Ca 0.00 1.48 -0.10 0.00 0.00 0.00 0.00 61.98 63.36 1ucj s VAL 2 Cb 0.00 -4.05 0.10 0.00 0.00 0.00 0.00 36.38 32.43 1ucj s VAL 2 CO 0.00 0.35 2.15 -1.20 0.00 0.00 0.00 175.10 176.40 1ucj n SER 3 N 3.02 5.50 0.00 3.32 7.64 0.13 -4.97 113.62 128.26 1ucj n SER 3 Ca -0.03 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.86 1ucj n SER 3 Cb 0.51 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1ucj n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ucj n GLY 4 N 3.08 0.60 3.46 0.23 0.00 -1.26 -4.61 105.19 106.69 1ucj n GLY 4 Ca 0.50 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 1ucj n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ucj s THR 5 N 0.00 2.42 -0.01 2.61 -4.23 -1.26 -0.87 115.64 114.31 1ucj s THR 5 Ca 0.00 -2.39 0.01 0.00 -1.18 0.00 0.00 61.69 58.12 1ucj s THR 5 Cb 0.00 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.55 1ucj s THR 5 CO 0.00 -0.41 -0.01 0.54 -0.54 0.00 0.00 174.62 174.20 1ucj s VAL 6 N -2.54 0.14 0.27 2.29 0.11 0.41 -4.83 120.40 116.25 1ucj s VAL 6 Ca 0.30 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.03 1ucj s VAL 6 Cb -0.04 -0.16 -0.09 0.00 -1.53 0.00 0.00 36.38 34.55 1ucj s VAL 6 CO 0.14 0.07 1.23 0.00 -3.33 0.00 0.00 175.10 173.21 1ucj h LEU 8 N 4.19 0.61 -1.34 0.00 5.85 -0.82 -0.45 115.31 123.34 1ucj h LEU 8 Ca -0.47 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1ucj h LEU 8 Cb 1.22 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1ucj h LEU 8 CO 0.70 0.44 0.00 0.77 -0.34 0.00 0.00 178.44 180.00 1ucj h SER 9 N 0.72 0.00 0.81 1.25 4.64 -1.70 -1.54 113.55 117.73 1ucj h SER 9 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1ucj h SER 9 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1ucj h SER 9 CO -0.05 0.00 -0.86 0.00 -0.87 0.00 0.00 176.83 175.06 1ucj n ALA 10 N -1.87 2.88 -2.02 5.18 0.00 -0.19 -4.93 120.51 119.57 1ucj n ALA 10 Ca 0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 53.44 52.88 1ucj n ALA 10 Cb 0.16 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.54 1ucj n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ucj s LEU 11 N -4.56 3.18 0.71 0.00 1.43 -0.58 -5.03 118.68 113.84 1ucj s LEU 11 Ca 0.03 0.95 -0.16 0.00 -1.03 0.00 0.00 54.13 53.91 1ucj s LEU 11 Cb 0.12 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.56 1ucj s LEU 11 CO 0.76 -1.06 1.27 -2.84 0.23 0.00 0.00 176.35 174.71 1ucj s PRO 12 N -5.09 2.21 0.55 1.29 0.02 -1.26 -4.86 135.00 127.86 1ucj s PRO 12 Ca 0.54 1.97 0.24 0.00 0.02 0.00 0.00 61.00 63.78 1ucj s PRO 12 Cb -0.11 -1.82 1.45 0.00 0.02 0.00 0.00 34.50 34.05 1ucj s PRO 12 CO 0.48 -1.84 2.06 -1.00 -0.33 0.00 0.00 177.00 176.37 1ucj h PRO 13 N 0.02 0.00 0.00 5.54 0.13 -1.95 -0.54 132.00 135.19 1ucj h PRO 13 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1ucj h PRO 13 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ucj h PRO 13 CO 0.51 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.14 1ucj h GLU 14 N 0.00 0.00 -0.26 0.86 3.07 -1.89 -1.51 114.58 114.85 1ucj h GLU 14 Ca 0.14 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.91 1ucj h GLU 14 Cb 0.63 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1ucj h GLU 14 CO -0.00 0.06 -0.24 0.00 -1.40 0.00 0.00 179.01 177.43 1ucj h ALA 15 N 1.94 1.10 -0.34 3.43 0.00 -1.43 -1.14 119.26 122.82 1ucj h ALA 15 Ca -0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1ucj h ALA 15 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ucj h ALA 15 CO 0.01 0.56 -0.42 1.15 0.00 0.00 0.00 179.25 180.54 1ucj h THR 16 N 0.44 1.28 -0.60 0.00 2.02 -1.40 -1.78 112.91 112.87 1ucj h THR 16 Ca 0.07 -1.60 -0.00 0.00 0.77 0.00 0.00 66.41 65.64 1ucj h THR 16 Cb 0.66 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1ucj h THR 16 CO 0.05 0.53 0.37 0.44 0.37 0.00 0.00 175.52 177.27 1ucj h ASP 17 N 0.69 0.72 -0.59 4.18 3.32 -1.25 -1.16 116.42 122.33 1ucj h ASP 17 Ca 0.05 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1ucj h ASP 17 Cb 1.00 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 1ucj h ASP 17 CO 0.10 0.56 0.22 0.74 -1.72 0.00 0.00 179.24 179.14 1ucj h THR 18 N 0.81 1.23 -0.73 0.35 2.02 -1.09 -1.43 112.91 114.08 1ucj h THR 18 Ca 0.22 -0.75 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 1ucj h THR 18 Cb -0.03 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1ucj h THR 18 CO -0.04 0.29 0.30 -0.07 0.37 0.00 0.00 175.52 176.36 1ucj h LEU 19 N 0.82 0.99 -1.02 2.58 3.38 -0.98 -0.82 115.31 120.27 1ucj h LEU 19 Ca 0.20 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1ucj h LEU 19 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1ucj h LEU 19 CO -0.01 0.88 -0.11 0.78 0.09 0.00 0.00 178.44 180.06 1ucj h ASN 20 N 1.06 0.56 0.44 -0.43 2.35 -0.84 -1.29 115.58 117.42 1ucj h ASN 20 Ca 0.25 -0.15 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 1ucj h ASN 20 Cb 0.19 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1ucj h ASN 20 CO -0.02 0.70 -0.68 -0.07 -1.65 0.00 0.00 177.43 175.71 1ucj h LEU 21 N 0.53 0.26 -0.65 1.61 3.38 -0.78 -2.87 115.31 116.79 1ucj h LEU 21 Ca 0.10 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1ucj h LEU 21 Cb 0.51 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1ucj h LEU 21 CO 0.03 0.86 -0.14 0.40 0.09 0.00 0.00 178.44 179.68 1ucj h ILE 22 N 0.15 1.27 -0.90 1.22 2.04 -0.74 0.39 117.51 120.94 1ucj h ILE 22 Ca -0.02 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.60 1ucj h ILE 22 Cb 1.22 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 1ucj h ILE 22 CO 0.10 0.44 0.59 0.00 0.00 0.00 0.00 178.15 179.28 1ucj h ALA 23 N 1.03 1.16 -0.37 1.87 0.00 -1.08 -1.93 119.26 119.93 1ucj h ALA 23 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ucj h ALA 23 Cb 0.67 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ucj h ALA 23 CO 0.05 0.48 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 1ucj n SER 24 N -4.49 3.06 -3.73 0.00 3.41 -1.10 -4.96 113.62 105.82 1ucj n SER 24 Ca 0.11 -1.94 -0.25 0.00 -0.26 0.00 0.00 58.87 56.53 1ucj n SER 24 Cb 0.05 -0.24 0.02 0.00 -0.26 0.00 0.00 64.21 63.79 1ucj n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ucj n ASP 25 N 1.22 -2.50 0.00 4.04 2.03 0.22 -4.73 116.55 116.83 1ucj n ASP 25 Ca 0.19 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.58 1ucj n ASP 25 Cb 0.54 -3.69 0.00 0.00 -0.72 0.00 0.00 41.12 37.25 1ucj n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ucj n GLY 26 N -1.68 -1.94 3.75 0.27 0.00 0.11 -4.82 105.19 100.88 1ucj n GLY 26 Ca -0.23 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1ucj n GLY 26 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ucj n PRO 27 N 0.00 2.44 -3.85 1.61 -0.02 -1.26 -4.97 135.00 128.95 1ucj n PRO 27 Ca 0.00 0.86 -0.29 0.00 -2.02 0.00 0.00 63.50 62.05 1ucj n PRO 27 Cb 0.00 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 30.87 1ucj n PRO 27 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ucj s PHE 28 N -1.13 3.50 0.22 6.00 0.08 -1.26 -5.01 117.98 120.37 1ucj s PHE 28 Ca 0.55 0.27 -0.02 0.00 0.12 0.00 0.00 56.93 57.86 1ucj s PHE 28 Cb -0.49 -1.79 0.21 0.00 -0.57 0.00 0.00 43.02 40.38 1ucj s PHE 28 CO 0.62 0.50 1.60 -1.00 -0.10 0.00 0.00 175.22 176.85 1ucj h PRO 29 N 2.56 0.62 -6.40 0.24 0.13 -1.98 -3.45 132.00 123.72 1ucj h PRO 29 Ca -0.47 -0.29 -0.68 0.00 -0.87 0.00 0.00 66.00 63.69 1ucj h PRO 29 Cb 1.18 -0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 1ucj h PRO 29 CO 0.72 0.88 -0.75 0.71 -0.23 0.00 0.00 178.00 179.33 1ucj s TYR 30 N -4.33 2.74 0.25 1.56 2.02 -1.26 -5.01 117.35 113.30 1ucj s TYR 30 Ca -0.08 -0.14 0.37 0.00 -0.37 0.00 0.00 57.07 56.85 1ucj s TYR 30 Cb 0.12 -1.56 1.66 0.00 -0.40 0.00 0.00 41.96 41.78 1ucj s TYR 30 CO 0.83 0.29 2.09 0.66 -1.57 0.00 0.00 175.55 177.85 1ucj h SER 31 N 4.69 0.00 0.80 2.29 4.64 -2.05 -1.67 113.55 122.25 1ucj h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ucj h SER 31 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ucj h SER 31 CO 0.51 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 176.43 1ucj n GLN 32 N -3.08 0.17 -2.14 4.77 1.13 -1.26 -4.82 117.38 112.16 1ucj n GLN 32 Ca -0.00 -0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.62 1ucj n GLN 32 Cb 0.24 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 1ucj n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ucj s ASP 33 N -2.84 6.79 0.00 1.08 1.01 -0.63 -2.59 116.67 119.49 1ucj s ASP 33 Ca 0.19 2.35 0.00 0.00 0.71 0.00 0.00 52.55 55.80 1ucj s ASP 33 Cb 0.19 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1ucj s ASP 33 CO 0.52 -0.69 0.00 0.61 0.21 0.00 0.00 175.17 175.81 1ucj n GLY 34 N 3.57 0.52 3.78 0.21 0.00 0.90 -5.00 105.19 109.17 1ucj n GLY 34 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1ucj n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ucj s VAL 35 N -2.24 3.38 0.31 1.61 -7.23 -1.07 -4.63 120.40 110.52 1ucj s VAL 35 Ca 0.00 0.58 -0.29 0.00 -1.81 0.00 0.00 61.98 60.46 1ucj s VAL 35 Cb 0.00 -3.11 -0.10 0.00 0.56 0.00 0.00 36.38 33.73 1ucj s VAL 35 CO 0.00 -0.46 1.33 -0.89 -0.31 0.00 0.00 175.10 174.78 1ucj s THR 36 N -2.54 2.73 -0.27 5.32 2.01 -1.26 -1.07 115.64 120.57 1ucj s THR 36 Ca 0.65 0.70 -0.11 0.00 0.31 0.00 0.00 61.69 63.24 1ucj s THR 36 Cb -0.19 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1ucj s THR 36 CO 0.45 0.15 0.18 0.12 -0.69 0.00 0.00 174.62 174.83 1ucj s PHE 37 N -0.83 3.24 -0.05 4.92 5.36 0.33 -4.77 117.98 126.19 1ucj s PHE 37 Ca 0.51 0.13 0.25 0.00 -0.96 0.00 0.00 56.93 56.87 1ucj s PHE 37 Cb -0.40 -2.34 0.80 0.00 -0.34 0.00 0.00 43.02 40.74 1ucj s PHE 37 CO 0.50 -0.10 1.77 0.37 -1.46 0.00 0.00 175.22 176.30 1ucj h GLN 38 N 8.10 0.00 -6.12 10.12 4.15 -1.95 -3.40 115.11 126.02 1ucj h GLN 38 Ca -0.36 0.00 -0.43 0.00 0.77 0.00 0.00 58.65 58.63 1ucj h GLN 38 Cb 1.18 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.91 1ucj h GLN 38 CO 0.58 0.14 -0.79 -1.71 -1.93 0.00 0.00 178.83 175.13 1ucj n ASN 39 N -3.22 -3.04 -0.27 -0.69 5.15 -1.26 -4.87 115.26 107.06 1ucj n ASN 39 Ca 0.01 -0.77 0.10 0.00 -0.60 0.00 0.00 54.58 53.33 1ucj n ASN 39 Cb 0.46 -4.14 0.35 0.00 -0.53 0.00 0.00 39.78 35.91 1ucj n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1ucj h ARG 40 N -2.03 0.73 -0.30 1.20 3.08 -2.00 -1.56 114.38 113.50 1ucj h ARG 40 Ca -0.59 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.41 1ucj h ARG 40 Cb 1.37 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1ucj h ARG 40 CO 0.60 0.49 0.00 0.39 -1.07 0.00 0.00 179.97 180.38 1ucj n GLU 41 N -4.55 1.85 -2.61 0.04 4.71 -1.26 -4.93 120.64 113.89 1ucj n GLU 41 Ca 0.16 -1.30 -0.18 0.00 -0.01 0.00 0.00 57.16 55.84 1ucj n GLU 41 Cb 0.41 -1.34 -0.00 0.00 -1.01 0.00 0.00 31.44 29.50 1ucj n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1ucj n SER 42 N 0.53 -4.90 -0.17 1.62 7.64 -0.59 -4.87 113.62 112.89 1ucj n SER 42 Ca 0.14 -0.01 -0.10 0.00 1.01 0.00 0.00 58.87 59.91 1ucj n SER 42 Cb 0.33 -4.08 0.00 0.00 -1.01 0.00 0.00 64.21 59.45 1ucj n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ucj h VAL 43 N -0.30 1.27 -3.15 0.44 2.07 -1.92 -3.39 116.25 111.27 1ucj h VAL 43 Ca -0.41 -1.15 -0.48 0.00 0.82 0.00 0.00 66.70 65.48 1ucj h VAL 43 Cb 1.30 1.02 0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1ucj h VAL 43 CO 0.48 0.40 -0.03 -0.76 0.02 0.00 0.00 177.57 177.68 1ucj s LEU 44 N -9.31 3.72 0.39 2.57 1.43 -1.26 -0.88 118.68 115.34 1ucj s LEU 44 Ca -0.12 0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 53.34 1ucj s LEU 44 Cb 0.12 -3.51 -0.12 0.00 0.03 0.00 0.00 46.19 42.71 1ucj s LEU 44 CO 0.83 -0.55 0.96 -2.65 0.23 0.00 0.00 176.35 175.17 1ucj n PRO 45 N -2.09 1.27 -2.11 1.29 -0.02 -1.26 -4.87 135.00 127.20 1ucj n PRO 45 Ca -0.01 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1ucj n PRO 45 Cb 0.56 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1ucj n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ucj s THR 46 N -1.25 3.16 0.17 3.45 2.01 -1.26 -5.00 115.64 116.92 1ucj s THR 46 Ca 0.62 0.82 -0.06 0.00 0.31 0.00 0.00 61.69 63.38 1ucj s THR 46 Cb -0.60 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 1ucj s THR 46 CO 0.58 0.06 0.22 -1.10 -0.69 0.00 0.00 174.62 173.68 1ucj s GLN 47 N 1.21 1.13 0.65 4.92 -1.52 -1.26 -5.15 119.66 119.64 1ucj s GLN 47 Ca 0.66 -1.32 -0.17 0.00 -1.95 0.00 0.00 55.36 52.58 1ucj s GLN 47 Cb -0.38 0.33 -0.01 0.00 -0.22 0.00 0.00 33.01 32.73 1ucj s GLN 47 CO 0.30 -0.39 1.23 -1.12 -0.25 0.00 0.00 175.29 175.06 1ucj s SER 48 N -3.02 4.77 0.19 5.90 0.01 -1.26 -4.90 113.70 115.39 1ucj s SER 48 Ca 0.22 2.43 -0.32 0.00 1.31 0.00 0.00 55.95 59.60 1ucj s SER 48 Cb 0.05 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.57 1ucj s SER 48 CO 0.03 -1.88 1.64 -0.47 0.41 0.00 0.00 173.24 172.97 1ucj s TYR 49 N -1.67 2.98 0.00 2.43 6.14 -1.26 -2.17 117.35 123.81 1ucj s TYR 49 Ca 0.78 0.50 0.00 0.00 0.64 0.00 0.00 57.07 58.98 1ucj s TYR 49 Cb -0.32 -4.03 0.00 0.00 0.42 0.00 0.00 41.96 38.03 1ucj s TYR 49 CO 0.38 -3.85 0.00 0.41 0.64 0.00 0.00 175.55 173.14 1ucj n GLY 50 N 3.82 0.66 0.18 8.97 0.00 -1.26 -4.96 105.19 112.60 1ucj n GLY 50 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1ucj n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ucj h TYR 51 N 0.00 0.46 -3.32 1.61 5.03 -1.77 -3.45 116.97 115.53 1ucj h TYR 51 Ca 0.00 -0.19 -0.67 0.00 2.58 0.00 0.00 58.73 60.45 1ucj h TYR 51 Cb 0.00 -0.08 -0.14 0.00 1.55 0.00 0.00 36.73 38.06 1ucj h TYR 51 CO 0.00 0.91 -0.63 0.71 -1.32 0.00 0.00 178.16 177.83 1ucj s TYR 52 N -3.70 3.14 0.05 -3.82 2.02 -1.26 -3.56 117.35 110.22 1ucj s TYR 52 Ca -0.05 0.16 0.04 0.00 -0.37 0.00 0.00 57.07 56.84 1ucj s TYR 52 Cb 0.11 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.90 1ucj s TYR 52 CO 0.82 0.47 -0.11 -1.01 -1.57 0.00 0.00 175.55 174.15 1ucj s HIS 53 N -0.97 0.99 0.05 2.71 3.76 -0.95 -0.51 115.29 120.36 1ucj s HIS 53 Ca 0.16 -0.45 0.07 0.00 -0.15 0.00 0.00 55.06 54.69 1ucj s HIS 53 Cb -0.11 -0.57 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 1ucj s HIS 53 CO 0.06 -0.00 -0.17 -1.83 -0.85 0.00 0.00 174.74 171.94 1ucj s GLU 54 N -1.57 2.04 0.00 1.40 -1.05 -0.23 -0.48 118.70 118.81 1ucj s GLU 54 Ca -0.05 -1.01 0.02 0.00 -0.15 0.00 0.00 54.97 53.79 1ucj s GLU 54 Cb -0.10 -2.19 -0.01 0.00 -0.44 0.00 0.00 34.13 31.40 1ucj s GLU 54 CO 0.01 0.53 -0.06 0.71 0.95 0.00 0.00 175.26 177.40 1ucj s TYR 55 N -0.97 0.57 0.28 4.83 1.51 -0.00 -0.07 117.35 123.50 1ucj s TYR 55 Ca 0.15 -0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.74 1ucj s TYR 55 Cb -0.11 -0.36 -0.10 0.00 -0.11 0.00 0.00 41.96 41.29 1ucj s TYR 55 CO 0.06 -0.02 1.20 0.99 -1.11 0.00 0.00 175.55 176.67 1ucj s THR 56 N -0.38 3.21 -0.35 -0.71 2.01 -1.26 -1.29 115.64 116.88 1ucj s THR 56 Ca 0.00 1.17 -0.01 0.00 0.31 0.00 0.00 61.69 63.16 1ucj s THR 56 Cb -0.04 -3.75 0.08 0.00 0.01 0.00 0.00 72.50 68.80 1ucj s THR 56 CO -0.00 0.26 0.08 -0.69 -0.69 0.00 0.00 174.62 173.58 1ucj s VAL 57 N -0.91 2.99 0.22 3.82 1.01 -0.58 -4.79 120.40 122.16 1ucj s VAL 57 Ca 0.48 -1.78 -0.32 0.00 0.00 0.00 0.00 61.98 60.36 1ucj s VAL 57 Cb -0.35 -2.91 -0.14 0.00 0.00 0.00 0.00 36.38 32.98 1ucj s VAL 57 CO 0.44 -0.40 1.37 -0.38 0.00 0.00 0.00 175.10 176.14 1ucj n ILE 58 N 4.56 0.89 -3.75 2.22 5.41 -1.26 -4.42 119.36 123.01 1ucj n ILE 58 Ca -0.07 -0.22 -0.37 0.00 1.00 0.00 0.00 62.75 63.09 1ucj n ILE 58 Cb 0.42 -1.37 -0.12 0.00 -0.71 0.00 0.00 39.64 37.87 1ucj n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1ucj s THR 59 N -0.03 3.59 0.27 1.39 2.01 -1.26 -4.77 115.64 116.84 1ucj s THR 59 Ca 0.70 -1.56 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 1ucj s THR 59 Cb -0.69 -3.22 -0.13 0.00 0.01 0.00 0.00 72.50 68.47 1ucj s THR 59 CO 0.49 -0.43 1.46 -2.65 -0.69 0.00 0.00 174.62 172.81 1ucj n PRO 60 N 4.73 2.30 0.00 4.92 -0.02 -1.26 -1.92 135.00 143.75 1ucj n PRO 60 Ca -0.09 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1ucj n PRO 60 Cb 0.43 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1ucj n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ucj n GLY 61 N 1.97 2.97 3.75 -1.23 0.00 -1.26 -5.03 105.19 106.36 1ucj n GLY 61 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1ucj n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ucj s ALA 62 N -2.09 3.39 -0.81 4.61 0.00 -0.81 -4.94 121.76 121.11 1ucj s ALA 62 Ca 0.00 0.85 0.26 0.00 0.00 0.00 0.00 51.96 53.07 1ucj s ALA 62 Cb 0.00 -3.32 0.66 0.00 0.00 0.00 0.00 23.12 20.47 1ucj s ALA 62 CO 0.00 -0.12 1.56 2.89 0.00 0.00 0.00 175.76 180.09 1ucj n ARG 63 N 1.42 0.16 -2.18 0.00 1.85 -1.26 -4.87 116.66 111.78 1ucj n ARG 63 Ca -0.01 0.08 -0.06 0.00 -1.00 0.00 0.00 57.85 56.87 1ucj n ARG 63 Cb 0.45 -1.63 -0.01 0.00 -1.05 0.00 0.00 32.46 30.22 1ucj n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1ucj n THR 64 N -1.88 0.00 0.76 8.89 -2.24 -1.26 -4.99 114.28 113.56 1ucj n THR 64 Ca 0.05 -0.45 0.09 0.00 -2.27 0.00 0.00 64.05 61.47 1ucj n THR 64 Cb 0.39 -0.21 0.42 0.00 -2.10 0.00 0.00 70.33 68.83 1ucj n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ucj n ARG 65 N -0.56 0.17 0.00 -0.78 1.74 -1.26 -4.90 116.66 111.07 1ucj n ARG 65 Ca -0.02 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1ucj n ARG 65 Cb 0.13 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1ucj n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ucj n GLY 66 N 0.24 -1.91 0.33 -0.13 0.00 -1.26 -4.58 105.19 97.88 1ucj n GLY 66 Ca 0.07 -1.38 0.03 0.00 0.00 0.00 0.00 46.02 44.74 1ucj n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ucj n THR 67 N -0.10 0.77 -3.68 2.61 -2.24 -1.26 -4.92 114.28 105.46 1ucj n THR 67 Ca 0.00 -0.89 -0.36 0.00 -2.27 0.00 0.00 64.05 60.54 1ucj n THR 67 Cb 0.00 0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 68.79 1ucj n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ucj s ARG 68 N -0.89 4.17 0.10 -0.78 0.52 -1.26 -0.78 118.95 120.04 1ucj s ARG 68 Ca 0.12 -0.17 -0.10 0.00 -0.52 0.00 0.00 55.73 55.06 1ucj s ARG 68 Cb 0.06 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.09 1ucj s ARG 68 CO 0.09 0.23 0.23 1.03 0.02 0.00 0.00 175.30 176.90 1ucj s ARG 69 N 0.56 0.91 -0.11 3.54 1.81 -0.23 -1.53 118.95 123.90 1ucj s ARG 69 Ca 0.09 -0.94 0.02 0.00 -1.72 0.00 0.00 55.73 53.19 1ucj s ARG 69 Cb -0.12 0.37 0.01 0.00 -0.45 0.00 0.00 34.95 34.76 1ucj s ARG 69 CO 0.01 -0.31 -0.18 0.42 -0.68 0.00 0.00 175.30 174.55 1ucj s ILE 70 N -3.86 1.70 -0.17 1.52 1.01 -0.41 -1.34 121.20 119.65 1ucj s ILE 70 Ca 0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 1ucj s ILE 70 Cb 0.04 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1ucj s ILE 70 CO -0.10 0.48 -0.03 -0.63 0.00 0.00 0.00 174.94 174.66 1ucj s ILE 71 N 0.76 3.80 0.09 2.92 1.09 0.49 -0.82 121.20 129.52 1ucj s ILE 71 Ca -0.11 -0.38 -0.04 0.00 -1.10 0.00 0.00 60.65 59.03 1ucj s ILE 71 Cb -0.16 -2.68 -0.05 0.00 -1.06 0.00 0.00 42.46 38.51 1ucj s ILE 71 CO 0.01 0.47 0.31 0.42 -0.10 0.00 0.00 174.94 176.05 1ucj s THR 72 N 0.64 5.26 0.38 2.92 -4.23 0.37 -0.19 115.64 120.79 1ucj s THR 72 Ca -0.02 -0.05 0.08 0.00 -1.18 0.00 0.00 61.69 60.52 1ucj s THR 72 Cb -0.14 -3.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.02 1ucj s THR 72 CO 0.02 0.14 0.06 -0.83 -0.54 0.00 0.00 174.62 173.47 1ucj s GLY 73 N -2.29 2.28 0.43 3.99 0.00 0.66 -2.25 107.32 110.14 1ucj s GLY 73 Ca 0.36 -2.11 0.28 0.00 0.00 0.00 0.00 44.72 43.25 1ucj s GLY 73 CO 0.24 -1.97 1.80 0.83 0.00 0.00 0.00 173.10 174.00 1ucj h GLU 74 N 1.69 0.00 -7.22 2.90 5.08 -1.84 -3.42 114.58 111.76 1ucj h GLU 74 Ca -0.43 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.43 1ucj h GLU 74 Cb 1.25 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.57 1ucj h GLU 74 CO 0.72 0.00 0.38 0.00 -1.00 0.00 0.00 179.01 179.10 1ucj s ALA 75 N -3.40 2.71 0.08 3.43 0.00 -1.26 -4.94 121.76 118.39 1ucj s ALA 75 Ca 0.05 0.35 -0.33 0.00 0.00 0.00 0.00 51.96 52.03 1ucj s ALA 75 Cb 0.08 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.85 1ucj s ALA 75 CO 0.57 -0.90 1.76 2.41 0.00 0.00 0.00 175.76 179.60 1ucj n THR 76 N -2.22 0.30 -1.58 0.00 -1.04 -1.26 -1.46 114.28 107.02 1ucj n THR 76 Ca 0.09 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.05 61.84 1ucj n THR 76 Cb 0.53 -1.87 -0.08 0.00 -1.82 0.00 0.00 70.33 67.09 1ucj n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ucj n GLN 77 N 5.16 -1.38 -2.68 -2.82 6.02 -1.26 -4.90 117.38 115.53 1ucj n GLN 77 Ca 0.19 1.20 -0.42 0.00 -0.01 0.00 0.00 57.00 57.95 1ucj n GLN 77 Cb 0.32 -5.54 -0.02 0.00 1.02 0.00 0.00 30.24 26.03 1ucj n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1ucj s GLU 78 N -3.68 3.69 -0.10 -1.09 2.12 -0.54 -4.85 118.70 114.26 1ucj s GLU 78 Ca 0.00 -1.51 0.01 0.00 0.36 0.00 0.00 54.97 53.82 1ucj s GLU 78 Cb 0.00 -5.26 0.02 0.00 0.26 0.00 0.00 34.13 29.15 1ucj s GLU 78 CO 0.00 -2.08 -0.10 -0.51 -0.54 0.00 0.00 175.26 172.03 1ucj s ASP 79 N 4.39 2.05 -0.08 -1.70 1.01 -1.26 -0.25 116.67 120.84 1ucj s ASP 79 Ca 0.44 -0.31 -0.01 0.00 0.71 0.00 0.00 52.55 53.38 1ucj s ASP 79 Cb -0.01 -0.86 -0.03 0.00 1.01 0.00 0.00 42.92 43.03 1ucj s ASP 79 CO -0.06 -0.06 -0.02 -0.31 0.21 0.00 0.00 175.17 174.93 1ucj s TYR 80 N 1.29 3.08 -0.08 4.23 2.02 0.74 -0.73 117.35 127.89 1ucj s TYR 80 Ca -0.03 0.13 -0.00 0.00 -0.37 0.00 0.00 57.07 56.80 1ucj s TYR 80 Cb -0.14 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 1ucj s TYR 80 CO -0.04 0.42 -0.05 -0.47 -1.57 0.00 0.00 175.55 173.84 1ucj s TYR 81 N -0.87 2.99 -0.02 2.71 5.04 0.20 -0.38 117.35 127.03 1ucj s TYR 81 Ca 0.13 0.01 0.02 0.00 -2.44 0.00 0.00 57.07 54.79 1ucj s TYR 81 Cb -0.11 -1.75 0.00 0.00 0.35 0.00 0.00 41.96 40.45 1ucj s TYR 81 CO 0.02 0.31 -0.07 -0.08 -1.34 0.00 0.00 175.55 174.39 1ucj s THR 82 N -0.68 0.58 -0.27 4.34 -1.32 -0.45 -1.56 115.64 116.29 1ucj s THR 82 Ca 0.10 -0.27 0.02 0.00 -1.21 0.00 0.00 61.69 60.33 1ucj s THR 82 Cb -0.11 -0.52 0.03 0.00 -1.51 0.00 0.00 72.50 70.38 1ucj s THR 82 CO 0.02 0.18 0.66 0.61 -2.21 0.00 0.00 174.62 173.88 1ucj n GLY 83 N 3.18 -0.47 2.19 6.08 0.00 -1.26 -1.07 105.19 113.85 1ucj n GLY 83 Ca -0.16 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 1ucj n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ucj n ASP 84 N 0.05 4.31 -3.61 1.61 5.68 -1.18 -4.44 116.55 118.97 1ucj n ASP 84 Ca 0.02 -3.44 -0.26 0.00 -0.50 0.00 0.00 54.79 50.60 1ucj n ASP 84 Cb 0.10 -0.37 0.04 0.00 -1.14 0.00 0.00 41.12 39.75 1ucj n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1ucj n HIS 85 N -0.67 -2.01 -0.97 2.11 -0.00 0.04 -2.83 115.22 110.88 1ucj n HIS 85 Ca 0.37 0.62 0.00 0.00 -0.00 0.00 0.00 57.72 58.71 1ucj n HIS 85 Cb 0.92 -3.77 0.00 0.00 -0.00 0.00 0.00 29.99 27.15 1ucj n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1ucj n TYR 86 N -4.01 0.00 -0.05 1.57 4.01 -1.26 -4.90 117.16 112.52 1ucj n TYR 86 Ca -0.13 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.46 1ucj n TYR 86 Cb 0.62 -0.90 -0.07 0.00 -0.31 0.00 0.00 39.34 38.68 1ucj n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ucj h ALA 87 N 0.00 0.26 -2.70 -0.72 0.00 -1.93 -3.46 119.26 110.71 1ucj h ALA 87 Ca 0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 54.91 54.21 1ucj h ALA 87 Cb 0.41 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 17.98 1ucj h ALA 87 CO 0.00 0.36 -0.72 0.95 0.00 0.00 0.00 179.25 179.84 1ucj s THR 88 N -3.93 0.62 0.06 0.00 -4.23 -1.26 -5.03 115.64 101.86 1ucj s THR 88 Ca -0.13 -1.51 0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1ucj s THR 88 Cb 0.06 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.72 1ucj s THR 88 CO 0.82 -0.63 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.84 1ucj s PHE 89 N -2.51 0.68 -0.01 3.99 0.40 -1.26 -4.39 117.98 114.88 1ucj s PHE 89 Ca 0.01 -0.69 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1ucj s PHE 89 Cb -0.02 -0.41 0.00 0.00 0.51 0.00 0.00 43.02 43.09 1ucj s PHE 89 CO -0.02 -0.14 -0.04 -1.12 0.70 0.00 0.00 175.22 174.59 1ucj s SER 90 N -2.17 0.59 0.02 1.36 0.01 -0.60 0.17 113.70 113.08 1ucj s SER 90 Ca -0.02 -0.09 -0.30 0.00 1.31 0.00 0.00 55.95 56.85 1ucj s SER 90 Cb -0.03 -0.12 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 1ucj s SER 90 CO -0.02 0.03 1.23 -0.22 0.41 0.00 0.00 173.24 174.67 1ucj s LEU 91 N 0.11 4.33 0.01 2.44 2.96 -0.04 -0.62 118.68 127.86 1ucj s LEU 91 Ca -0.01 1.97 -0.30 0.00 -0.22 0.00 0.00 54.13 55.57 1ucj s LEU 91 Cb -0.04 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 1ucj s LEU 91 CO -0.00 -0.55 1.06 -0.63 -1.32 0.00 0.00 176.35 174.91 1ucj s ILE 92 N 1.63 4.59 -0.40 6.68 1.01 0.09 -0.44 121.20 134.35 1ucj s ILE 92 Ca 0.59 1.86 -0.09 0.00 0.00 0.00 0.00 60.65 63.00 1ucj s ILE 92 Cb -0.28 -4.19 0.06 0.00 0.01 0.00 0.00 42.46 38.06 1ucj s ILE 92 CO 0.26 0.13 0.23 -0.62 0.00 0.00 0.00 174.94 174.94 1ucj s ASP 93 N 1.06 5.63 0.00 3.58 -1.08 0.71 -4.77 116.67 121.79 1ucj s ASP 93 Ca 0.54 -1.37 0.31 0.00 -0.52 0.00 0.00 52.55 51.51 1ucj s ASP 93 Cb -0.23 -1.98 1.83 0.00 -1.46 0.00 0.00 42.92 41.07 1ucj s ASP 93 CO 0.27 -0.49 2.18 0.00 0.52 0.00 0.00 175.17 177.66 1ucj n GLN 94 N 4.92 0.90 0.00 4.34 6.02 -1.26 -1.33 117.38 130.97 1ucj n GLN 94 Ca -0.11 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.01 1ucj n GLN 94 Cb 0.44 -1.50 0.32 0.00 1.02 0.00 0.00 30.24 30.51 1ucj n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ucj n THR 95 N -1.04 0.00 -0.95 5.09 -2.24 -1.26 -4.86 114.28 109.02 1ucj n THR 95 Ca 0.22 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1ucj n THR 95 Cb 0.13 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1ucj n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50