#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uci s THR 2 N 0.00 4.69 -0.91 -3.53 -4.23 -1.26 -4.68 115.64 105.72 1uci s THR 2 Ca 0.00 0.56 0.08 0.00 -1.18 0.00 0.00 61.69 61.14 1uci s THR 2 Cb 0.00 -3.83 0.38 0.00 1.34 0.00 0.00 72.50 70.39 1uci s THR 2 CO 0.00 -0.98 1.14 -1.20 -0.54 0.00 0.00 174.62 173.04 1uci n SER 3 N -2.56 3.03 0.00 3.99 7.64 0.25 -4.97 113.62 121.00 1uci n SER 3 Ca 0.04 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.56 1uci n SER 3 Cb 0.55 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1uci n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uci n GLY 4 N 0.46 -1.11 3.59 0.23 0.00 -1.26 -4.94 105.19 102.17 1uci n GLY 4 Ca 0.13 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 1uci n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uci s THR 5 N 0.00 3.64 -0.02 2.61 2.01 -1.26 -0.24 115.64 122.38 1uci s THR 5 Ca 0.00 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.25 1uci s THR 5 Cb 0.00 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 1uci s THR 5 CO 0.00 0.39 -0.12 0.54 -0.69 0.00 0.00 174.62 174.73 1uci s VAL 6 N -1.00 1.01 0.30 3.82 0.11 0.40 -4.88 120.40 120.15 1uci s VAL 6 Ca 0.17 -0.52 -0.29 0.00 -2.93 0.00 0.00 61.98 58.41 1uci s VAL 6 Cb -0.11 -0.86 -0.10 0.00 -1.53 0.00 0.00 36.38 33.78 1uci s VAL 6 CO 0.08 0.29 1.17 0.00 -3.33 0.00 0.00 175.10 173.31 1uci h LEU 8 N 3.60 0.67 -2.15 0.00 5.85 -0.82 -0.86 115.31 121.60 1uci h LEU 8 Ca -0.48 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1uci h LEU 8 Cb 1.22 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1uci h LEU 8 CO 0.66 0.47 0.00 0.77 -0.34 0.00 0.00 178.44 180.00 1uci h SER 9 N 0.78 0.00 1.26 1.25 4.64 -1.72 -1.68 113.55 118.09 1uci h SER 9 Ca 0.25 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.51 1uci h SER 9 Cb 0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1uci h SER 9 CO -0.07 0.00 -0.77 0.00 -0.87 0.00 0.00 176.83 175.13 1uci h ALA 10 N 2.02 0.68 -2.41 5.18 0.00 -1.43 -3.47 119.26 119.83 1uci h ALA 10 Ca 0.00 -0.28 -0.50 0.00 0.00 0.00 0.00 54.91 54.13 1uci h ALA 10 Cb 0.20 0.05 0.08 0.00 0.00 0.00 0.00 17.79 18.12 1uci h ALA 10 CO 0.00 0.33 0.40 -0.51 0.00 0.00 0.00 179.25 179.47 1uci s LEU 11 N -5.87 3.01 0.74 0.00 1.43 -0.63 -5.01 118.68 112.35 1uci s LEU 11 Ca 0.02 1.33 -0.15 0.00 -1.03 0.00 0.00 54.13 54.29 1uci s LEU 11 Cb 0.08 -4.20 0.04 0.00 0.03 0.00 0.00 46.19 42.14 1uci s LEU 11 CO 0.76 -1.28 1.15 -2.65 0.23 0.00 0.00 176.35 174.56 1uci n PRO 12 N -2.99 0.52 0.21 1.29 -0.02 -1.26 -4.85 135.00 127.89 1uci n PRO 12 Ca 0.07 0.24 0.14 0.00 -2.02 0.00 0.00 63.50 61.93 1uci n PRO 12 Cb 0.55 -2.40 0.77 0.00 -0.02 0.00 0.00 33.50 32.41 1uci n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1uci h PRO 13 N -0.35 0.00 0.00 0.52 0.13 -1.95 -1.04 132.00 129.31 1uci h PRO 13 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1uci h PRO 13 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1uci h PRO 13 CO 0.48 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.15 1uci h GLU 14 N 0.00 0.00 -0.56 0.86 3.07 -1.89 -1.74 114.58 114.33 1uci h GLU 14 Ca 0.07 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.82 1uci h GLU 14 Cb 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1uci h GLU 14 CO -0.00 0.03 -0.05 0.00 -1.40 0.00 0.00 179.01 177.58 1uci h ALA 15 N 1.97 0.76 -0.64 3.43 0.00 -1.52 -1.15 119.26 122.12 1uci h ALA 15 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1uci h ALA 15 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1uci h ALA 15 CO 0.00 0.63 0.09 1.15 0.00 0.00 0.00 179.25 181.13 1uci h THR 16 N 0.91 1.26 -0.40 0.00 2.02 -1.45 -1.33 112.91 113.92 1uci h THR 16 Ca 0.15 -1.04 0.02 0.00 0.77 0.00 0.00 66.41 66.31 1uci h THR 16 Cb 0.61 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1uci h THR 16 CO 0.04 0.39 0.23 0.44 0.37 0.00 0.00 175.52 176.99 1uci h ASP 17 N 0.97 0.37 -0.66 4.18 3.32 -1.23 -0.18 116.42 123.20 1uci h ASP 17 Ca 0.19 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1uci h ASP 17 Cb 0.45 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1uci h ASP 17 CO 0.01 0.27 0.35 0.74 -1.72 0.00 0.00 179.24 178.89 1uci h THR 18 N 0.47 1.22 -0.79 0.35 2.02 -0.97 -1.21 112.91 114.00 1uci h THR 18 Ca 0.16 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 1uci h THR 18 Cb 0.01 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 1uci h THR 18 CO -0.08 0.24 0.34 -0.07 0.37 0.00 0.00 175.52 176.32 1uci h LEU 19 N 0.91 1.07 -0.95 2.58 3.38 -0.79 -0.80 115.31 120.70 1uci h LEU 19 Ca 0.23 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1uci h LEU 19 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1uci h LEU 19 CO -0.03 0.93 0.06 0.78 0.09 0.00 0.00 178.44 180.27 1uci h ASN 20 N 1.14 0.78 -0.05 -0.43 2.35 -0.55 -0.97 115.58 117.85 1uci h ASN 20 Ca 0.27 -0.17 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 1uci h ASN 20 Cb 0.18 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1uci h ASN 20 CO -0.03 0.81 -0.47 -0.07 -1.65 0.00 0.00 177.43 176.02 1uci h LEU 21 N 0.77 0.66 -0.70 1.61 3.38 -0.74 -1.67 115.31 118.62 1uci h LEU 21 Ca 0.16 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1uci h LEU 21 Cb 0.39 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1uci h LEU 21 CO 0.01 1.02 0.13 0.40 0.09 0.00 0.00 178.44 180.10 1uci h ILE 22 N 0.48 1.26 -0.27 1.22 2.04 -0.81 0.67 117.51 122.10 1uci h ILE 22 Ca 0.03 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1uci h ILE 22 Cb 1.00 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1uci h ILE 22 CO 0.09 0.39 0.14 0.00 0.00 0.00 0.00 178.15 178.77 1uci h ALA 23 N 1.07 0.35 -0.00 1.87 0.00 -0.97 -2.35 119.26 119.23 1uci h ALA 23 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1uci h ALA 23 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1uci h ALA 23 CO 0.01 -0.11 -0.06 -1.13 0.00 0.00 0.00 179.25 177.96 1uci n SER 24 N -4.82 0.27 -2.76 0.00 3.41 -0.65 -4.92 113.62 104.16 1uci n SER 24 Ca -0.02 -0.47 -0.17 0.00 -0.26 0.00 0.00 58.87 57.95 1uci n SER 24 Cb 0.08 -0.14 0.06 0.00 -0.26 0.00 0.00 64.21 63.95 1uci n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1uci n ASP 25 N -1.07 -4.68 0.00 4.04 2.03 0.12 -4.79 116.55 112.21 1uci n ASP 25 Ca 0.15 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.06 1uci n ASP 25 Cb 0.25 -3.81 0.00 0.00 -0.72 0.00 0.00 41.12 36.84 1uci n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uci n GLY 26 N -1.52 -1.79 3.77 0.27 0.00 0.19 -4.81 105.19 101.29 1uci n GLY 26 Ca -0.03 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 1uci n GLY 26 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uci s PRO 27 N 0.00 3.73 0.14 1.61 0.02 -1.26 -4.95 135.00 134.28 1uci s PRO 27 Ca 0.00 2.31 -0.05 0.00 0.02 0.00 0.00 61.00 63.29 1uci s PRO 27 Cb 0.00 -2.65 -0.06 0.00 0.02 0.00 0.00 34.50 31.82 1uci s PRO 27 CO 0.00 -0.75 0.37 -0.06 -0.33 0.00 0.00 177.00 176.23 1uci s PHE 28 N -1.24 3.48 0.20 6.54 0.08 -1.26 -5.02 117.98 120.76 1uci s PHE 28 Ca 0.61 0.54 -0.07 0.00 0.12 0.00 0.00 56.93 58.13 1uci s PHE 28 Cb -0.41 -2.00 0.14 0.00 -0.57 0.00 0.00 43.02 40.18 1uci s PHE 28 CO 0.53 0.44 1.65 -1.00 -0.10 0.00 0.00 175.22 176.74 1uci h PRO 29 N 2.84 0.95 -6.32 0.24 0.13 -1.98 -3.44 132.00 124.42 1uci h PRO 29 Ca -0.46 -0.32 -0.68 0.00 -0.87 0.00 0.00 66.00 63.68 1uci h PRO 29 Cb 1.16 -0.08 -0.18 0.00 0.13 0.00 0.00 31.00 32.04 1uci h PRO 29 CO 0.73 0.98 -0.71 0.71 -0.23 0.00 0.00 178.00 179.48 1uci s TYR 30 N -4.89 2.86 0.37 1.56 2.02 -1.26 -5.01 117.35 113.00 1uci s TYR 30 Ca -0.11 -0.06 0.33 0.00 -0.37 0.00 0.00 57.07 56.86 1uci s TYR 30 Cb 0.14 -1.59 1.61 0.00 -0.40 0.00 0.00 41.96 41.71 1uci s TYR 30 CO 0.85 0.36 2.10 0.66 -1.57 0.00 0.00 175.55 177.95 1uci h SER 31 N 4.52 0.00 0.47 2.29 4.64 -2.05 -1.40 113.55 122.02 1uci h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1uci h SER 31 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1uci h SER 31 CO 0.53 0.07 -0.03 0.00 -0.87 0.00 0.00 176.83 176.53 1uci n GLN 32 N -3.37 0.54 -2.34 4.77 1.13 -1.26 -4.82 117.38 112.04 1uci n GLN 32 Ca -0.01 -0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.57 1uci n GLN 32 Cb 0.23 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 1uci n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1uci s ASP 33 N -2.50 6.98 0.00 1.08 1.01 -0.53 -3.00 116.67 119.71 1uci s ASP 33 Ca 0.30 2.09 0.00 0.00 0.71 0.00 0.00 52.55 55.65 1uci s ASP 33 Cb 0.20 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1uci s ASP 33 CO 0.46 -0.56 0.00 0.61 0.21 0.00 0.00 175.17 175.89 1uci n GLY 34 N 3.36 0.51 3.81 0.21 0.00 0.74 -5.00 105.19 108.82 1uci n GLY 34 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1uci n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uci s VAL 35 N -2.18 3.89 0.29 1.61 -7.23 -1.16 -4.68 120.40 110.94 1uci s VAL 35 Ca 0.00 0.68 -0.29 0.00 -1.81 0.00 0.00 61.98 60.55 1uci s VAL 35 Cb 0.00 -3.34 -0.10 0.00 0.56 0.00 0.00 36.38 33.50 1uci s VAL 35 CO 0.00 -0.74 1.34 -0.69 -0.31 0.00 0.00 175.10 174.70 1uci s VAL 36 N -2.89 2.79 -0.29 1.32 1.01 -1.26 -1.40 120.40 119.68 1uci s VAL 36 Ca 0.60 0.73 -0.13 0.00 0.00 0.00 0.00 61.98 63.18 1uci s VAL 36 Cb -0.15 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1uci s VAL 36 CO 0.51 0.15 0.27 0.12 0.00 0.00 0.00 175.10 176.14 1uci s PHE 37 N -0.65 3.23 0.02 5.22 5.36 -0.09 -4.77 117.98 126.30 1uci s PHE 37 Ca 0.53 0.16 0.32 0.00 -0.96 0.00 0.00 56.93 56.98 1uci s PHE 37 Cb -0.40 -2.47 1.21 0.00 -0.34 0.00 0.00 43.02 41.02 1uci s PHE 37 CO 0.48 -0.23 1.93 1.96 -1.46 0.00 0.00 175.22 177.90 1uci h GLN 38 N 8.33 0.00 -6.38 10.12 4.20 -1.94 -3.40 115.11 126.04 1uci h GLN 38 Ca -0.33 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 57.90 1uci h GLN 38 Cb 1.17 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.90 1uci h GLN 38 CO 0.60 0.00 -0.80 -1.71 -0.67 0.00 0.00 178.83 176.25 1uci n ASN 39 N -3.10 -3.20 0.15 1.46 5.15 -1.26 -4.85 115.26 109.61 1uci n ASN 39 Ca 0.01 -0.86 0.11 0.00 -0.60 0.00 0.00 54.58 53.24 1uci n ASN 39 Cb 0.34 -3.58 0.62 0.00 -0.53 0.00 0.00 39.78 36.63 1uci n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1uci h ARG 40 N -1.90 0.08 -0.25 1.20 3.08 -1.99 -1.86 114.38 112.73 1uci h ARG 40 Ca -0.60 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1uci h ARG 40 Cb 1.37 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1uci h ARG 40 CO 0.67 0.05 0.00 0.39 -1.07 0.00 0.00 179.97 180.01 1uci n GLU 41 N -4.49 1.85 -2.30 0.04 4.71 -1.26 -4.93 120.64 114.26 1uci n GLU 41 Ca 0.02 -1.29 -0.17 0.00 -0.01 0.00 0.00 57.16 55.71 1uci n GLU 41 Cb 0.24 -1.38 -0.02 0.00 -1.01 0.00 0.00 31.44 29.28 1uci n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1uci n SER 42 N 0.52 -4.99 -0.12 1.62 7.64 -0.70 -4.87 113.62 112.72 1uci n SER 42 Ca 0.15 0.12 -0.11 0.00 1.01 0.00 0.00 58.87 60.04 1uci n SER 42 Cb 0.35 -4.22 -0.02 0.00 -1.01 0.00 0.00 64.21 59.31 1uci n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1uci h VAL 43 N 0.00 1.28 -3.12 0.44 2.07 -1.92 -3.37 116.25 111.63 1uci h VAL 43 Ca -0.40 -1.21 -0.47 0.00 0.82 0.00 0.00 66.70 65.44 1uci h VAL 43 Cb 1.28 1.31 0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1uci h VAL 43 CO 0.49 0.40 -0.02 -0.76 0.02 0.00 0.00 177.57 177.70 1uci s LEU 44 N -9.23 3.66 0.44 2.57 1.43 -1.26 -0.38 118.68 115.91 1uci s LEU 44 Ca -0.13 0.56 -0.23 0.00 -1.03 0.00 0.00 54.13 53.30 1uci s LEU 44 Cb 0.10 -3.44 -0.10 0.00 0.03 0.00 0.00 46.19 42.77 1uci s LEU 44 CO 0.81 -0.64 0.95 -2.65 0.23 0.00 0.00 176.35 175.05 1uci n PRO 45 N -2.14 1.21 -2.18 1.29 -0.02 -1.26 -4.88 135.00 127.02 1uci n PRO 45 Ca 0.00 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 1uci n PRO 45 Cb 0.57 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 1uci n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1uci s THR 46 N -1.33 3.59 0.17 3.45 2.01 -1.26 -5.00 115.64 117.28 1uci s THR 46 Ca 0.64 1.00 -0.03 0.00 0.31 0.00 0.00 61.69 63.61 1uci s THR 46 Cb -0.55 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 1uci s THR 46 CO 0.56 0.00 0.15 -1.10 -0.69 0.00 0.00 174.62 173.54 1uci s GLN 47 N 2.38 1.12 0.68 4.92 -1.52 -1.26 -5.15 119.66 120.83 1uci s GLN 47 Ca 0.65 -1.48 -0.15 0.00 -1.95 0.00 0.00 55.36 52.43 1uci s GLN 47 Cb -0.33 0.29 0.01 0.00 -0.22 0.00 0.00 33.01 32.76 1uci s GLN 47 CO 0.27 -0.36 1.15 -1.12 -0.25 0.00 0.00 175.29 174.98 1uci s SER 48 N -3.08 4.77 0.18 5.90 0.01 -1.26 -4.92 113.70 115.30 1uci s SER 48 Ca 0.30 2.16 -0.32 0.00 1.31 0.00 0.00 55.95 59.40 1uci s SER 48 Cb 0.06 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.61 1uci s SER 48 CO 0.07 -1.87 1.68 -0.47 0.41 0.00 0.00 173.24 173.05 1uci s TYR 49 N -2.15 2.89 0.00 2.43 6.14 -1.26 -2.24 117.35 123.16 1uci s TYR 49 Ca 0.70 0.41 0.00 0.00 0.64 0.00 0.00 57.07 58.83 1uci s TYR 49 Cb -0.24 -4.07 0.00 0.00 0.42 0.00 0.00 41.96 38.07 1uci s TYR 49 CO 0.42 -4.04 0.00 0.41 0.64 0.00 0.00 175.55 172.98 1uci n GLY 50 N 3.92 0.95 0.25 8.97 0.00 -1.26 -4.96 105.19 113.06 1uci n GLY 50 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1uci n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1uci h TYR 51 N 0.00 0.81 -3.11 1.61 5.03 -1.79 -3.44 116.97 116.09 1uci h TYR 51 Ca 0.00 -0.22 -0.66 0.00 2.58 0.00 0.00 58.73 60.43 1uci h TYR 51 Cb 0.00 -0.18 -0.11 0.00 1.55 0.00 0.00 36.73 37.99 1uci h TYR 51 CO 0.00 0.95 -0.58 0.71 -1.32 0.00 0.00 178.16 177.92 1uci s TYR 52 N -4.38 3.28 0.05 -3.82 2.02 -1.26 -3.62 117.35 109.63 1uci s TYR 52 Ca -0.09 0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.87 1uci s TYR 52 Cb 0.12 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 1uci s TYR 52 CO 0.84 0.55 -0.09 -1.01 -1.57 0.00 0.00 175.55 174.26 1uci s HIS 53 N -1.11 0.83 0.12 2.71 3.76 -0.99 -0.91 115.29 119.69 1uci s HIS 53 Ca 0.20 -0.52 0.10 0.00 -0.15 0.00 0.00 55.06 54.70 1uci s HIS 53 Cb -0.12 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.05 1uci s HIS 53 CO 0.10 -0.05 -0.26 -1.83 -0.85 0.00 0.00 174.74 171.86 1uci s GLU 54 N -1.78 1.51 0.02 1.40 -1.05 -0.49 -0.26 118.70 118.05 1uci s GLU 54 Ca -0.06 -1.29 0.01 0.00 -0.15 0.00 0.00 54.97 53.48 1uci s GLU 54 Cb -0.09 -1.94 -0.01 0.00 -0.44 0.00 0.00 34.13 31.65 1uci s GLU 54 CO 0.01 0.46 -0.05 0.71 0.95 0.00 0.00 175.26 177.34 1uci s TYR 55 N -1.03 0.42 0.29 4.83 1.51 -0.08 -0.18 117.35 123.10 1uci s TYR 55 Ca 0.14 -0.27 -0.29 0.00 -1.01 0.00 0.00 57.07 55.64 1uci s TYR 55 Cb -0.10 -0.27 -0.10 0.00 -0.11 0.00 0.00 41.96 41.39 1uci s TYR 55 CO 0.06 -0.06 1.17 0.99 -1.11 0.00 0.00 175.55 176.60 1uci s THR 56 N -0.70 3.25 -0.35 -0.71 2.01 -1.26 -1.34 115.64 116.54 1uci s THR 56 Ca -0.05 1.24 -0.01 0.00 0.31 0.00 0.00 61.69 63.18 1uci s THR 56 Cb -0.05 -3.79 0.08 0.00 0.01 0.00 0.00 72.50 68.75 1uci s THR 56 CO -0.00 0.29 0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 1uci s VAL 57 N -1.05 2.93 0.20 3.82 1.01 -0.66 -4.78 120.40 121.87 1uci s VAL 57 Ca 0.47 -1.86 -0.32 0.00 0.00 0.00 0.00 61.98 60.27 1uci s VAL 57 Cb -0.34 -2.91 -0.14 0.00 0.00 0.00 0.00 36.38 32.99 1uci s VAL 57 CO 0.44 -0.43 1.37 -0.38 0.00 0.00 0.00 175.10 176.10 1uci n ILE 58 N 4.53 0.73 -3.72 2.22 5.41 -1.26 -4.43 119.36 122.83 1uci n ILE 58 Ca -0.05 -0.18 -0.38 0.00 1.00 0.00 0.00 62.75 63.13 1uci n ILE 58 Cb 0.42 -1.29 -0.11 0.00 -0.71 0.00 0.00 39.64 37.95 1uci n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1uci s THR 59 N 0.09 3.71 0.26 1.39 2.01 -1.26 -4.76 115.64 117.09 1uci s THR 59 Ca 0.72 -1.58 -0.31 0.00 0.31 0.00 0.00 61.69 60.84 1uci s THR 59 Cb -0.72 -3.32 -0.13 0.00 0.01 0.00 0.00 72.50 68.34 1uci s THR 59 CO 0.48 -0.47 1.44 -2.65 -0.69 0.00 0.00 174.62 172.73 1uci n PRO 60 N 4.76 2.22 0.00 4.92 -0.02 -1.26 -2.05 135.00 143.57 1uci n PRO 60 Ca -0.08 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1uci n PRO 60 Cb 0.43 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1uci n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uci n GLY 61 N 2.00 3.24 3.77 -1.23 0.00 -1.26 -5.04 105.19 106.68 1uci n GLY 61 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1uci n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uci s ALA 62 N -2.15 3.24 -0.83 4.61 0.00 -0.87 -4.95 121.76 120.81 1uci s ALA 62 Ca 0.00 0.82 0.25 0.00 0.00 0.00 0.00 51.96 53.04 1uci s ALA 62 Cb 0.00 -3.31 0.59 0.00 0.00 0.00 0.00 23.12 20.40 1uci s ALA 62 CO 0.00 -0.22 1.50 2.89 0.00 0.00 0.00 175.76 179.92 1uci n ARG 63 N 0.53 0.14 -2.29 0.00 1.85 -1.26 -4.89 116.66 110.74 1uci n ARG 63 Ca 0.02 0.06 -0.06 0.00 -1.00 0.00 0.00 57.85 56.87 1uci n ARG 63 Cb 0.47 -1.60 -0.01 0.00 -1.05 0.00 0.00 32.46 30.27 1uci n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1uci n THR 64 N -1.82 0.00 0.67 8.89 -2.24 -1.26 -4.99 114.28 113.53 1uci n THR 64 Ca 0.05 -0.46 0.08 0.00 -2.27 0.00 0.00 64.05 61.44 1uci n THR 64 Cb 0.39 -0.12 0.38 0.00 -2.10 0.00 0.00 70.33 68.87 1uci n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1uci n ARG 65 N -0.48 0.13 0.00 -0.78 1.74 -1.26 -4.90 116.66 111.12 1uci n ARG 65 Ca -0.03 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1uci n ARG 65 Cb 0.13 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1uci n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uci n GLY 66 N 0.11 -1.88 0.35 -0.13 0.00 -1.26 -4.57 105.19 97.80 1uci n GLY 66 Ca 0.06 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 44.74 1uci n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uci n THR 67 N -0.13 0.83 -3.84 2.61 -2.24 -1.26 -4.93 114.28 105.31 1uci n THR 67 Ca 0.00 -0.91 -0.35 0.00 -2.27 0.00 0.00 64.05 60.51 1uci n THR 67 Cb 0.00 0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 1uci n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1uci s ARG 68 N -0.92 3.98 0.12 -0.78 0.52 -1.26 -0.63 118.95 119.97 1uci s ARG 68 Ca 0.12 -0.24 -0.12 0.00 -0.52 0.00 0.00 55.73 54.98 1uci s ARG 68 Cb 0.07 -3.32 0.01 0.00 0.52 0.00 0.00 34.95 32.23 1uci s ARG 68 CO 0.09 0.39 0.29 1.03 0.02 0.00 0.00 175.30 177.12 1uci s ARG 69 N 0.08 1.00 -0.12 3.54 1.81 -0.10 -1.66 118.95 123.51 1uci s ARG 69 Ca 0.08 -0.91 0.03 0.00 -1.72 0.00 0.00 55.73 53.21 1uci s ARG 69 Cb -0.11 0.40 0.01 0.00 -0.45 0.00 0.00 34.95 34.79 1uci s ARG 69 CO -0.00 -0.36 -0.20 0.42 -0.68 0.00 0.00 175.30 174.47 1uci s ILE 70 N -3.86 1.87 -0.17 1.52 1.01 -0.45 -1.45 121.20 119.68 1uci s ILE 70 Ca 0.07 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 1uci s ILE 70 Cb 0.03 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 1uci s ILE 70 CO -0.09 0.51 -0.01 -0.63 0.00 0.00 0.00 174.94 174.72 1uci s ILE 71 N 0.76 4.13 0.05 2.92 1.09 0.71 -0.90 121.20 129.95 1uci s ILE 71 Ca -0.10 -0.27 -0.00 0.00 -1.10 0.00 0.00 60.65 59.18 1uci s ILE 71 Cb -0.16 -2.83 -0.04 0.00 -1.06 0.00 0.00 42.46 38.37 1uci s ILE 71 CO 0.01 0.48 0.19 0.42 -0.10 0.00 0.00 174.94 175.94 1uci s THR 72 N 0.42 5.31 0.42 2.92 -4.23 0.65 -0.04 115.64 121.09 1uci s THR 72 Ca -0.02 -0.38 0.07 0.00 -1.18 0.00 0.00 61.69 60.18 1uci s THR 72 Cb -0.14 -3.57 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 1uci s THR 72 CO 0.02 0.18 0.17 -0.83 -0.54 0.00 0.00 174.62 173.61 1uci s GLY 73 N -2.38 2.39 0.47 3.99 0.00 0.21 -2.34 107.32 109.66 1uci s GLY 73 Ca 0.33 -2.02 0.26 0.00 0.00 0.00 0.00 44.72 43.29 1uci s GLY 73 CO 0.25 -1.95 1.71 0.83 0.00 0.00 0.00 173.10 173.94 1uci h GLU 74 N 1.43 0.00 -7.20 2.90 5.08 -1.85 -3.43 114.58 111.50 1uci h GLU 74 Ca -0.43 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.42 1uci h GLU 74 Cb 1.26 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.61 1uci h GLU 74 CO 0.71 0.01 0.37 0.00 -1.00 0.00 0.00 179.01 179.10 1uci s ALA 75 N -3.33 2.46 0.19 3.43 0.00 -1.26 -4.95 121.76 118.30 1uci s ALA 75 Ca 0.05 0.56 -0.31 0.00 0.00 0.00 0.00 51.96 52.26 1uci s ALA 75 Cb 0.06 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 1uci s ALA 75 CO 0.64 -1.30 1.56 0.95 0.00 0.00 0.00 175.76 177.60 1uci s THR 76 N -2.32 2.55 -0.03 0.00 -4.23 -1.26 -1.91 115.64 108.44 1uci s THR 76 Ca 0.67 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1uci s THR 76 Cb -0.21 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1uci s THR 76 CO 0.42 0.04 0.00 0.00 -0.54 0.00 0.00 174.62 174.54 1uci n GLN 77 N 3.56 -1.53 -2.53 3.99 6.02 -1.26 -4.90 117.38 120.74 1uci n GLN 77 Ca 0.12 0.39 -0.40 0.00 -0.01 0.00 0.00 57.00 57.10 1uci n GLN 77 Cb 0.38 -4.54 -0.03 0.00 1.02 0.00 0.00 30.24 27.07 1uci n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1uci s GLU 78 N -1.56 3.50 -0.06 -1.09 2.12 -0.80 -4.84 118.70 115.97 1uci s GLU 78 Ca 0.00 -0.99 0.01 0.00 0.36 0.00 0.00 54.97 54.35 1uci s GLU 78 Cb 0.00 -5.24 0.02 0.00 0.26 0.00 0.00 34.13 29.17 1uci s GLU 78 CO 0.00 -2.27 -0.07 -0.51 -0.54 0.00 0.00 175.26 171.87 1uci s ASP 79 N 5.04 1.37 -0.00 -1.70 1.01 -1.26 -0.62 116.67 120.50 1uci s ASP 79 Ca 0.46 -0.20 0.05 0.00 0.71 0.00 0.00 52.55 53.57 1uci s ASP 79 Cb -0.01 -0.61 -0.03 0.00 1.01 0.00 0.00 42.92 43.28 1uci s ASP 79 CO -0.07 -0.04 -0.14 -0.31 0.21 0.00 0.00 175.17 174.82 1uci s TYR 80 N 0.96 2.70 -0.08 4.23 2.02 0.94 -0.58 117.35 127.53 1uci s TYR 80 Ca -0.10 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1uci s TYR 80 Cb -0.15 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 1uci s TYR 80 CO 0.00 0.26 -0.13 -0.47 -1.57 0.00 0.00 175.55 173.64 1uci s TYR 81 N -0.87 2.77 -0.02 2.71 5.04 0.02 -0.21 117.35 126.79 1uci s TYR 81 Ca 0.14 -0.28 0.03 0.00 -2.44 0.00 0.00 57.07 54.52 1uci s TYR 81 Cb -0.11 -1.71 0.00 0.00 0.35 0.00 0.00 41.96 40.50 1uci s TYR 81 CO 0.04 0.09 -0.09 -0.08 -1.34 0.00 0.00 175.55 174.16 1uci s THR 82 N -0.41 0.79 -0.16 4.34 -1.32 -0.52 -1.50 115.64 116.86 1uci s THR 82 Ca 0.05 -0.38 0.01 0.00 -1.21 0.00 0.00 61.69 60.16 1uci s THR 82 Cb -0.12 -0.70 0.02 0.00 -1.51 0.00 0.00 72.50 70.19 1uci s THR 82 CO 0.02 0.24 0.63 0.61 -2.21 0.00 0.00 174.62 173.92 1uci n GLY 83 N 3.19 -0.55 2.21 6.08 0.00 -1.26 -0.92 105.19 113.94 1uci n GLY 83 Ca -0.17 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1uci n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uci n ASP 84 N -0.01 4.47 -3.65 1.61 5.68 -1.19 -4.44 116.55 119.04 1uci n ASP 84 Ca 0.01 -3.56 -0.28 0.00 -0.50 0.00 0.00 54.79 50.47 1uci n ASP 84 Cb 0.08 -0.38 0.04 0.00 -1.14 0.00 0.00 41.12 39.72 1uci n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1uci n HIS 85 N -0.63 -1.96 -0.90 2.11 -0.00 0.19 -2.71 115.22 111.33 1uci n HIS 85 Ca 0.39 0.57 0.00 0.00 -0.00 0.00 0.00 57.72 58.67 1uci n HIS 85 Cb 0.88 -3.66 0.00 0.00 -0.00 0.00 0.00 29.99 27.21 1uci n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1uci n TYR 86 N -4.08 0.00 -0.06 1.57 4.01 -1.26 -4.90 117.16 112.43 1uci n TYR 86 Ca -0.13 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.48 1uci n TYR 86 Cb 0.61 -0.80 -0.07 0.00 -0.31 0.00 0.00 39.34 38.78 1uci n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uci h ALA 87 N 0.00 0.24 -2.48 -0.72 0.00 -1.91 -3.46 119.26 110.92 1uci h ALA 87 Ca 0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 54.91 54.33 1uci h ALA 87 Cb 0.24 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 17.82 1uci h ALA 87 CO 0.00 0.12 -0.71 0.95 0.00 0.00 0.00 179.25 179.60 1uci s THR 88 N -4.37 0.76 0.04 0.00 -4.23 -1.26 -5.02 115.64 101.56 1uci s THR 88 Ca -0.14 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1uci s THR 88 Cb 0.06 -1.46 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 1uci s THR 88 CO 0.76 -0.72 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.71 1uci s PHE 89 N -3.00 0.49 -0.03 3.99 0.40 -1.26 -4.41 117.98 114.15 1uci s PHE 89 Ca 0.07 -0.58 0.03 0.00 -0.60 0.00 0.00 56.93 55.85 1uci s PHE 89 Cb 0.01 -0.31 0.00 0.00 0.51 0.00 0.00 43.02 43.23 1uci s PHE 89 CO -0.02 -0.16 -0.11 -1.12 0.70 0.00 0.00 175.22 174.50 1uci s SER 90 N -1.72 1.50 0.17 1.36 0.01 -0.56 0.87 113.70 115.32 1uci s SER 90 Ca -0.10 -0.24 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 1uci s SER 90 Cb -0.08 -0.41 -0.08 0.00 0.21 0.00 0.00 66.02 65.66 1uci s SER 90 CO -0.01 0.09 1.28 -0.22 0.41 0.00 0.00 173.24 174.78 1uci s LEU 91 N 0.16 4.41 -0.08 2.44 2.96 0.67 -0.80 118.68 128.45 1uci s LEU 91 Ca -0.04 2.31 -0.23 0.00 -0.22 0.00 0.00 54.13 55.95 1uci s LEU 91 Cb -0.10 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1uci s LEU 91 CO 0.01 -0.50 0.70 -0.63 -1.32 0.00 0.00 176.35 174.62 1uci s ILE 92 N 0.30 5.04 -0.44 6.68 1.01 0.25 -0.46 121.20 133.58 1uci s ILE 92 Ca 0.57 1.44 -0.10 0.00 0.00 0.00 0.00 60.65 62.56 1uci s ILE 92 Cb -0.35 -4.04 0.09 0.00 0.01 0.00 0.00 42.46 38.17 1uci s ILE 92 CO 0.36 0.23 0.30 -0.62 0.00 0.00 0.00 174.94 175.21 1uci s ASP 93 N 0.83 5.73 0.00 3.58 -1.08 0.17 -4.74 116.67 121.17 1uci s ASP 93 Ca 0.37 -1.58 0.25 0.00 -0.52 0.00 0.00 52.55 51.07 1uci s ASP 93 Cb -0.18 -2.02 1.44 0.00 -1.46 0.00 0.00 42.92 40.70 1uci s ASP 93 CO 0.17 -0.60 1.85 0.00 0.52 0.00 0.00 175.17 177.12 1uci n GLN 94 N 4.96 0.69 0.00 4.34 6.02 -1.26 -1.58 117.38 130.56 1uci n GLN 94 Ca -0.10 0.01 0.13 0.00 -0.01 0.00 0.00 57.00 57.03 1uci n GLN 94 Cb 0.42 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 30.46 1uci n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1uci n THR 95 N -1.06 0.00 -0.90 5.09 -2.24 -1.26 -4.86 114.28 109.05 1uci n THR 95 Ca 0.17 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1uci n THR 95 Cb 0.11 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1uci n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50