#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl3 s TYR 3 N 0.00 3.48 0.67 0.00 5.04 -1.26 -5.05 117.35 120.23 1xl3 s TYR 3 Ca 0.00 -2.61 -0.13 0.00 -2.44 0.00 0.00 57.07 51.89 1xl3 s TYR 3 Cb 0.00 -3.19 0.00 0.00 0.35 0.00 0.00 41.96 39.12 1xl3 s TYR 3 CO 0.00 -0.90 1.07 -0.51 -1.34 0.00 0.00 175.55 173.88 1xl3 s ASP 4 N 1.15 5.31 0.23 4.32 1.01 -1.26 -4.83 116.67 122.60 1xl3 s ASP 4 Ca 0.13 1.78 -0.06 0.00 0.71 0.00 0.00 52.55 55.11 1xl3 s ASP 4 Cb -0.22 -2.52 0.37 0.00 1.01 0.00 0.00 42.92 41.56 1xl3 s ASP 4 CO -0.04 -1.49 1.76 0.25 0.21 0.00 0.00 175.17 175.87 1xl3 h LEU 5 N -0.30 0.40 -1.16 1.23 5.85 -1.99 -1.29 115.31 118.06 1xl3 h LEU 5 Ca -0.45 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 1xl3 h LEU 5 Cb 1.22 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1xl3 h LEU 5 CO 0.56 0.22 -0.35 0.77 -0.34 0.00 0.00 178.44 179.29 1xl3 h SER 6 N 0.55 0.00 -0.13 1.25 4.64 -1.98 0.31 113.55 118.19 1xl3 h SER 6 Ca 0.37 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.58 1xl3 h SER 6 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1xl3 h SER 6 CO -0.31 0.35 -0.32 -0.08 -0.87 0.00 0.00 176.83 175.60 1xl3 h GLU 7 N 0.00 0.45 -0.62 4.77 4.81 -1.72 -0.81 114.58 121.46 1xl3 h GLU 7 Ca -0.00 -0.31 0.06 0.00 -0.13 0.00 0.00 59.36 58.98 1xl3 h GLU 7 Cb 0.76 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 1xl3 h GLU 7 CO 0.05 0.92 0.33 0.35 -0.73 0.00 0.00 179.01 179.92 1xl3 h PHE 8 N 0.05 0.60 -0.73 0.92 3.57 -0.69 -1.42 116.94 119.23 1xl3 h PHE 8 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1xl3 h PHE 8 Cb 0.93 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 1xl3 h PHE 8 CO 0.10 0.28 0.46 0.52 -2.23 0.00 0.00 178.31 177.44 1xl3 h MET 9 N 0.61 0.98 -0.34 1.11 2.86 -0.36 -0.47 114.93 119.33 1xl3 h MET 9 Ca 0.28 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1xl3 h MET 9 Cb 0.20 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1xl3 h MET 9 CO -0.19 0.68 0.21 0.78 1.06 0.00 0.00 176.91 179.45 1xl3 h GLY 10 N 1.00 0.48 1.58 8.32 0.00 -0.89 -0.44 103.07 113.12 1xl3 h GLY 10 Ca 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1xl3 h GLY 10 CO -0.05 0.19 0.08 -0.55 0.00 0.00 0.00 176.54 176.20 1xl3 h ASP 11 N 0.44 0.49 -0.59 0.19 3.32 -1.01 -0.63 116.42 118.64 1xl3 h ASP 11 Ca 0.12 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1xl3 h ASP 11 Cb -0.01 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1xl3 h ASP 11 CO -0.02 0.50 0.01 0.40 -1.72 0.00 0.00 179.24 178.41 1xl3 h ILE 12 N 0.52 1.27 0.07 0.35 2.04 -0.69 -2.13 117.51 118.94 1xl3 h ILE 12 Ca 0.12 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1xl3 h ILE 12 Cb 0.22 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1xl3 h ILE 12 CO -0.00 0.41 -0.06 0.58 0.00 0.00 0.00 178.15 179.08 1xl3 h VAL 13 N 0.93 0.86 -0.83 1.67 2.07 -0.24 -0.45 116.25 120.25 1xl3 h VAL 13 Ca 0.17 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.77 1xl3 h VAL 13 Cb 0.55 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1xl3 h VAL 13 CO 0.03 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.11 1xl3 h ALA 14 N 0.78 1.17 -0.38 1.67 0.00 -1.17 -0.87 119.26 120.46 1xl3 h ALA 14 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1xl3 h ALA 14 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xl3 h ALA 14 CO -0.01 0.14 -0.22 1.25 0.00 0.00 0.00 179.25 180.41 1xl3 h LEU 15 N 0.84 0.77 -0.06 0.00 5.85 -1.04 -2.89 115.31 118.77 1xl3 h LEU 15 Ca 0.39 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1xl3 h LEU 15 Cb 0.31 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1xl3 h LEU 15 CO -0.23 0.97 0.00 0.58 -0.34 0.00 0.00 178.44 179.42 1xl3 h VAL 16 N 0.66 0.00 -0.19 1.05 2.07 -0.77 -3.46 116.25 115.61 1xl3 h VAL 16 Ca 0.09 -0.86 -0.62 0.00 0.82 0.00 0.00 66.70 66.14 1xl3 h VAL 16 Cb 0.72 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1xl3 h VAL 16 CO 0.06 0.00 3.05 -0.67 0.02 0.00 0.00 177.57 180.03 1xl3 n ASP 17 N -2.91 8.19 -3.95 0.57 4.64 -0.36 -4.56 116.55 118.17 1xl3 n ASP 17 Ca 0.04 -2.66 -0.17 0.00 -1.38 0.00 0.00 54.79 50.62 1xl3 n ASP 17 Cb 0.50 -1.51 -0.15 0.00 -1.04 0.00 0.00 41.12 38.92 1xl3 n ASP 17 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1xl3 s ARG 19 N 1.46 0.56 -1.03 -0.67 0.52 -1.26 -5.05 118.95 113.48 1xl3 s ARG 19 Ca 0.67 -0.19 -0.10 0.00 -0.52 0.00 0.00 55.73 55.59 1xl3 s ARG 19 Cb 0.20 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 35.08 1xl3 s ARG 19 CO -0.06 0.08 0.84 0.91 0.02 0.00 0.00 175.30 177.09 1xl3 n TRP 20 N 3.18 -2.34 -2.01 -0.53 7.02 -1.26 -4.95 117.44 116.55 1xl3 n TRP 20 Ca -0.16 0.76 -0.41 0.00 -1.02 0.00 0.00 57.50 56.67 1xl3 n TRP 20 Cb 0.56 -3.85 -0.01 0.00 -2.42 0.00 0.00 31.31 25.59 1xl3 n TRP 20 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xl3 s ALA 21 N -3.34 3.51 0.49 6.99 0.00 -1.26 -5.04 121.76 123.10 1xl3 s ALA 21 Ca 0.38 1.36 0.06 0.00 0.00 0.00 0.00 51.96 53.77 1xl3 s ALA 21 Cb -0.09 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1xl3 s ALA 21 CO 0.79 -0.78 0.31 0.20 0.00 0.00 0.00 175.76 176.28 1xl3 s GLY 22 N -0.38 2.38 0.30 0.00 0.00 -1.26 -4.85 107.32 103.51 1xl3 s GLY 22 Ca 0.50 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.73 1xl3 s GLY 22 CO 0.56 -1.92 1.85 1.19 0.00 0.00 0.00 173.10 174.78 1xl3 h ILE 23 N 1.01 1.21 0.00 0.90 2.10 -1.96 -0.83 117.51 119.94 1xl3 h ILE 23 Ca -0.40 -0.80 -0.01 0.00 1.08 0.00 0.00 64.86 64.74 1xl3 h ILE 23 Cb 1.29 0.78 -0.00 0.00 -1.09 0.00 0.00 36.82 37.79 1xl3 h ILE 23 CO 0.62 0.29 -0.04 1.12 -1.08 0.00 0.00 178.15 179.06 1xl3 h HIS 24 N 0.68 0.00 -0.20 2.19 2.07 -1.96 -0.76 115.15 117.17 1xl3 h HIS 24 Ca 0.15 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.59 1xl3 h HIS 24 Cb 0.30 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.27 1xl3 h HIS 24 CO 0.01 0.04 -0.22 -0.44 -3.07 0.00 0.00 177.93 174.25 1xl3 h ASP 25 N 0.00 0.36 0.00 3.10 3.32 -1.54 -0.69 116.42 120.97 1xl3 h ASP 25 Ca -0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1xl3 h ASP 25 Cb 0.10 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1xl3 h ASP 25 CO 0.01 0.59 -0.19 0.40 -1.72 0.00 0.00 179.24 178.33 1xl3 h ILE 26 N 0.33 1.63 -0.89 0.35 1.08 -1.54 -3.37 117.51 115.11 1xl3 h ILE 26 Ca 0.05 -2.30 -0.01 0.00 -0.39 0.00 0.00 64.86 62.22 1xl3 h ILE 26 Cb 0.57 3.15 -0.04 0.00 -3.07 0.00 0.00 36.82 37.43 1xl3 h ILE 26 CO 0.04 0.55 0.53 -0.33 -0.69 0.00 0.00 178.15 178.25 1xl3 h GLU 27 N -1.00 1.21 -0.05 2.37 5.08 -1.10 -2.37 114.58 118.72 1xl3 h GLU 27 Ca -0.05 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1xl3 h GLU 27 Cb 1.03 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1xl3 h GLU 27 CO -0.03 0.85 0.11 0.45 -1.00 0.00 0.00 179.01 179.40 1xl3 h HIS 28 N 1.23 0.00 -0.01 4.33 3.86 -1.31 -1.89 115.15 121.35 1xl3 h HIS 28 Ca 0.32 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.51 1xl3 h HIS 28 Cb -0.04 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1xl3 h HIS 28 CO 0.01 0.00 -0.08 -0.07 0.86 0.00 0.00 177.93 178.65 1xl3 h LEU 29 N 0.00 0.02 -0.58 2.43 3.38 -1.57 -1.98 115.31 117.00 1xl3 h LEU 29 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xl3 h LEU 29 Cb 0.25 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xl3 h LEU 29 CO -0.00 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.63 1xl3 n ALA 30 N -2.52 1.69 0.25 1.53 0.00 -0.71 -3.30 120.51 117.45 1xl3 n ALA 30 Ca -0.03 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.55 1xl3 n ALA 30 Cb 0.16 -1.37 0.61 0.00 0.00 0.00 0.00 19.45 18.85 1xl3 n ALA 30 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xl3 h ASN 31 N 0.00 0.00 -0.21 0.00 2.35 -1.51 -1.16 115.58 115.05 1xl3 h ASN 31 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xl3 h ASN 31 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1xl3 h ASN 31 CO 0.00 0.08 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 1xl3 n ALA 32 N -2.50 2.50 -2.47 -0.83 0.00 -1.21 -4.87 120.51 111.13 1xl3 n ALA 32 Ca -0.03 -0.54 -0.26 0.00 0.00 0.00 0.00 53.44 52.61 1xl3 n ALA 32 Cb 0.16 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 1xl3 n ALA 32 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xl3 s PHE 33 N -1.73 1.89 -0.55 0.00 0.40 -0.44 -4.83 117.98 112.73 1xl3 s PHE 33 Ca 0.30 -0.39 -0.28 0.00 -0.60 0.00 0.00 56.93 55.96 1xl3 s PHE 33 Cb 0.16 -1.10 0.02 0.00 0.51 0.00 0.00 43.02 42.61 1xl3 s PHE 33 CO 0.24 0.13 1.28 0.45 0.70 0.00 0.00 175.22 178.02 1xl3 s SER 34 N -1.38 6.35 -0.58 1.36 0.15 -1.26 -4.98 113.70 113.35 1xl3 s SER 34 Ca 0.08 0.25 0.06 0.00 0.70 0.00 0.00 55.95 57.04 1xl3 s SER 34 Cb -0.09 -2.55 0.22 0.00 -1.71 0.00 0.00 66.02 61.88 1xl3 s SER 34 CO 0.03 -1.53 0.58 0.18 1.20 0.00 0.00 173.24 173.69 1xl3 n LEU 35 N 8.78 2.34 0.00 3.45 4.77 -1.26 -4.99 117.00 130.09 1xl3 n LEU 35 Ca 0.11 -5.10 0.15 0.00 -0.03 0.00 0.00 56.01 51.13 1xl3 n LEU 35 Cb 0.49 -0.30 0.82 0.00 -2.33 0.00 0.00 43.42 42.10 1xl3 n LEU 35 CO 0.71 1.95 1.03 -0.81 -1.33 0.00 0.00 177.39 178.94 1xl3 n PRO 36 N 1.54 0.71 -4.26 3.23 -0.04 -1.26 -4.80 135.00 130.12 1xl3 n PRO 36 Ca 0.25 0.01 -0.17 0.00 -0.04 0.00 0.00 63.50 63.55 1xl3 n PRO 36 Cb 0.42 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 1xl3 n PRO 36 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xl3 s THR 37 N -2.24 1.35 0.30 0.52 -4.23 -1.26 -5.03 115.64 105.04 1xl3 s THR 37 Ca 0.37 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1xl3 s THR 37 Cb 0.20 -1.68 0.20 0.00 1.34 0.00 0.00 72.50 72.56 1xl3 s THR 37 CO 0.38 -0.52 1.89 -0.65 -0.54 0.00 0.00 174.62 175.19 1xl3 h PRO 38 N 3.21 0.90 -0.58 3.99 0.11 -1.97 -2.64 132.00 135.02 1xl3 h PRO 38 Ca -0.39 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1xl3 h PRO 38 Cb 1.20 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1xl3 h PRO 38 CO 0.55 0.71 0.04 0.93 -0.21 0.00 0.00 178.00 180.02 1xl3 h GLU 39 N 0.89 0.97 -1.68 1.05 3.07 -1.96 -1.88 114.58 115.05 1xl3 h GLU 39 Ca 0.22 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1xl3 h GLU 39 Cb 0.12 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1xl3 h GLU 39 CO -0.03 0.93 0.00 1.51 -1.40 0.00 0.00 179.01 180.03 1xl3 n ILE 40 N -4.20 1.27 0.00 3.13 3.06 -1.00 -2.17 119.36 119.45 1xl3 n ILE 40 Ca 0.03 -0.24 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 1xl3 n ILE 40 Cb 0.31 -1.19 0.00 0.00 0.54 0.00 0.00 39.64 39.29 1xl3 n ILE 40 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1xl3 n VAL 42 N 1.19 0.00 -0.12 9.51 0.31 -0.71 -1.50 118.33 127.02 1xl3 n VAL 42 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1xl3 n VAL 42 Cb 0.40 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.43 1xl3 n VAL 42 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1xl3 h ARG 43 N 0.00 0.84 -0.39 5.55 2.43 -1.72 -1.61 114.38 119.47 1xl3 h ARG 43 Ca 0.00 -0.28 0.05 0.00 -0.81 0.00 0.00 59.98 58.95 1xl3 h ARG 43 Cb 0.00 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 1xl3 h ARG 43 CO 0.00 0.90 0.11 0.35 -1.51 0.00 0.00 179.97 179.82 1xl3 h PHE 44 N 0.76 0.18 -0.02 2.20 3.57 -1.55 -0.04 116.94 122.05 1xl3 h PHE 44 Ca 0.13 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.44 1xl3 h PHE 44 Cb 0.59 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1xl3 h PHE 44 CO 0.03 0.05 -0.87 1.88 -2.23 0.00 0.00 178.31 177.17 1xl3 h TYR 45 N 0.25 0.52 0.19 0.41 -1.99 -1.80 0.59 116.97 115.14 1xl3 h TYR 45 Ca 0.18 -0.27 -0.01 0.00 2.00 0.00 0.00 58.73 60.63 1xl3 h TYR 45 Cb 0.19 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.86 1xl3 h TYR 45 CO -0.17 1.07 -0.09 1.96 -0.00 0.00 0.00 178.16 180.93 1xl3 h GLN 46 N 0.21 -0.24 0.00 4.88 4.20 -1.23 -2.91 115.11 120.03 1xl3 h GLN 46 Ca -0.06 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1xl3 h GLN 46 Cb 1.49 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.32 1xl3 h GLN 46 CO 0.15 -0.06 -0.20 -0.44 -0.67 0.00 0.00 178.83 177.61 1xl3 h ASP 47 N -0.37 0.00 0.00 1.46 5.19 -1.02 -2.12 116.42 119.56 1xl3 h ASP 47 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1xl3 h ASP 47 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1xl3 h ASP 47 CO 0.04 0.20 0.00 -0.11 -3.12 0.00 0.00 179.24 176.25 1xl3 n LEU 48 N -4.09 2.01 0.00 1.55 7.94 0.20 -1.73 117.00 122.88 1xl3 n LEU 48 Ca -0.02 -1.01 0.00 0.00 -1.11 0.00 0.00 56.01 53.87 1xl3 n LEU 48 Cb 0.27 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.87 1xl3 n LEU 48 CO 0.35 0.34 0.00 0.54 -1.11 0.00 0.00 177.39 177.51 1xl3 n ARG 50 N 0.62 0.00 -0.12 1.96 1.74 -0.80 -1.11 116.66 118.95 1xl3 n ARG 50 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 1xl3 n ARG 50 Cb 0.34 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.81 1xl3 n ARG 50 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1xl3 h MET 51 N 0.00 0.13 -0.38 5.56 4.05 -1.62 -2.11 114.93 120.56 1xl3 h MET 51 Ca 0.00 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1xl3 h MET 51 Cb 0.00 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1xl3 h MET 51 CO 0.00 0.08 -0.03 0.74 0.23 0.00 0.00 176.91 177.94 1xl3 h PHE 52 N 0.13 0.64 0.00 1.39 -1.00 -1.39 -2.15 116.94 114.56 1xl3 h PHE 52 Ca 0.20 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.90 1xl3 h PHE 52 Cb 0.27 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1xl3 h PHE 52 CO -0.25 0.63 0.00 0.00 -1.61 0.00 0.00 178.31 177.08 1xl3 h ARG 53 N 0.58 0.00 0.00 1.51 3.08 -1.71 -2.91 114.38 114.92 1xl3 h ARG 53 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1xl3 h ARG 53 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1xl3 h ARG 53 CO 0.02 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.20 1xl3 n LEU 54 N -2.61 0.09 -4.78 3.04 4.77 -0.81 -4.95 117.00 111.75 1xl3 n LEU 54 Ca 0.02 0.51 -0.37 0.00 -0.03 0.00 0.00 56.01 56.14 1xl3 n LEU 54 Cb 0.29 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1xl3 n LEU 54 CO 0.24 -0.07 0.66 -0.36 -1.33 0.00 0.00 177.39 176.53 1xl3 s PHE 55 N -3.02 3.63 0.54 -1.77 2.99 -1.10 -4.99 117.98 114.26 1xl3 s PHE 55 Ca 0.12 1.76 -0.22 0.00 0.00 0.00 0.00 56.93 58.59 1xl3 s PHE 55 Cb 0.16 -2.94 -0.05 0.00 0.00 0.00 0.00 43.02 40.19 1xl3 s PHE 55 CO 0.49 0.10 1.31 -2.30 -0.00 0.00 0.00 175.22 174.82 1xl3 n PRO 56 N 0.45 1.63 0.10 0.24 -0.02 -1.26 -4.80 135.00 131.34 1xl3 n PRO 56 Ca 0.02 0.60 0.18 0.00 -2.02 0.00 0.00 63.50 62.29 1xl3 n PRO 56 Cb 0.50 -2.51 0.74 0.00 -0.02 0.00 0.00 33.50 32.21 1xl3 n PRO 56 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xl3 h LEU 57 N 1.40 0.00 0.00 2.45 3.38 -1.97 -2.50 115.31 118.07 1xl3 h LEU 57 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1xl3 h LEU 57 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1xl3 h LEU 57 CO 0.57 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.71 1xl3 n GLY 58 N -1.53 -0.65 0.22 0.83 0.00 -1.26 -1.90 105.19 100.89 1xl3 n GLY 58 Ca 0.06 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1xl3 n GLY 58 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xl3 n VAL 59 N -1.08 0.00 -4.00 1.61 0.24 -0.94 -4.90 118.33 109.26 1xl3 n VAL 59 Ca 0.12 -0.11 -0.31 0.00 -2.04 0.00 0.00 64.34 62.00 1xl3 n VAL 59 Cb 0.08 0.44 -0.05 0.00 -1.47 0.00 0.00 33.84 32.84 1xl3 n VAL 59 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xl3 s PHE 60 N -2.59 3.34 0.17 6.34 0.40 -0.80 -4.82 117.98 120.01 1xl3 s PHE 60 Ca 0.22 0.16 -0.14 0.00 -0.60 0.00 0.00 56.93 56.56 1xl3 s PHE 60 Cb 0.19 -1.69 0.08 0.00 0.51 0.00 0.00 43.02 42.11 1xl3 s PHE 60 CO 0.56 0.55 1.80 0.77 0.70 0.00 0.00 175.22 179.61 1xl3 h SER 61 N 3.27 0.44 -5.23 1.36 0.02 -1.86 -3.46 113.55 108.09 1xl3 h SER 61 Ca -0.46 0.01 0.15 0.00 -0.84 0.00 0.00 61.79 60.65 1xl3 h SER 61 Cb 1.16 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.54 1xl3 h SER 61 CO 0.70 0.31 0.44 1.51 -1.14 0.00 0.00 176.83 178.65 1xl3 s ASP 62 N -5.55 -0.21 0.26 3.07 1.47 -1.26 -5.02 116.67 109.43 1xl3 s ASP 62 Ca -0.13 -0.40 -0.02 0.00 1.18 0.00 0.00 52.55 53.18 1xl3 s ASP 62 Cb 0.12 0.52 0.44 0.00 -0.34 0.00 0.00 42.92 43.66 1xl3 s ASP 62 CO 0.73 -0.95 1.85 -0.08 0.68 0.00 0.00 175.17 177.40 1xl3 h GLU 63 N 2.00 0.98 -0.95 2.11 4.57 -1.93 -1.20 114.58 120.16 1xl3 h GLU 63 Ca -0.23 -0.06 0.09 0.00 -1.18 0.00 0.00 59.36 57.98 1xl3 h GLU 63 Cb 1.24 -0.22 -0.07 0.00 -0.16 0.00 0.00 28.75 29.53 1xl3 h GLU 63 CO 0.26 0.65 0.59 1.49 -1.18 0.00 0.00 179.01 180.82 1xl3 h GLU 64 N 1.01 0.98 -0.05 1.92 4.81 -1.99 -0.40 114.58 120.86 1xl3 h GLU 64 Ca 0.44 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.37 1xl3 h GLU 64 Cb 0.31 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1xl3 h GLU 64 CO -0.22 0.65 -0.93 1.96 -0.73 0.00 0.00 179.01 179.75 1xl3 h GLN 65 N 1.01 0.64 -0.34 1.92 1.08 -1.77 -1.52 115.11 116.14 1xl3 h GLN 65 Ca 0.44 -0.63 0.06 0.00 -1.45 0.00 0.00 58.65 57.07 1xl3 h GLN 65 Cb 0.32 0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.86 1xl3 h GLN 65 CO -0.22 1.23 0.02 -0.09 -0.95 0.00 0.00 178.83 178.82 1xl3 h ARG 66 N 0.39 0.11 -0.33 1.46 2.43 -0.93 -1.81 114.38 115.70 1xl3 h ARG 66 Ca -0.09 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 1xl3 h ARG 66 Cb 1.56 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 1xl3 h ARG 66 CO 0.18 0.07 -0.27 1.96 -1.51 0.00 0.00 179.97 180.40 1xl3 h GLN 67 N 0.12 0.67 -0.45 0.20 1.08 -1.09 0.09 115.11 115.73 1xl3 h GLN 67 Ca 0.16 -0.28 0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1xl3 h GLN 67 Cb 0.22 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 1xl3 h GLN 67 CO -0.26 0.87 0.21 -0.97 -0.95 0.00 0.00 178.83 177.73 1xl3 h ASN 68 N 0.58 0.28 -0.33 1.46 -0.73 -1.04 0.44 115.58 116.24 1xl3 h ASN 68 Ca 0.08 0.03 -0.13 0.00 1.87 0.00 0.00 56.30 58.14 1xl3 h ASN 68 Cb 0.76 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.33 1xl3 h ASN 68 CO 0.06 0.20 -0.32 0.25 -0.37 0.00 0.00 177.43 177.25 1xl3 h LEU 69 N 0.42 0.85 -0.94 0.34 5.85 -0.73 0.38 115.31 121.47 1xl3 h LEU 69 Ca 0.20 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1xl3 h LEU 69 Cb 0.14 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1xl3 h LEU 69 CO -0.16 1.14 0.62 -0.07 -0.34 0.00 0.00 178.44 179.64 1xl3 h LEU 70 N 0.57 1.07 -0.96 2.25 3.38 -0.88 -1.08 115.31 119.67 1xl3 h LEU 70 Ca 0.05 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1xl3 h LEU 70 Cb 0.90 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1xl3 h LEU 70 CO 0.08 0.77 0.31 -0.61 0.09 0.00 0.00 178.44 179.08 1xl3 h GLN 71 N 1.26 1.06 -0.40 1.13 5.75 -0.42 0.21 115.11 123.71 1xl3 h GLN 71 Ca 0.35 -0.17 -0.11 0.00 -0.15 0.00 0.00 58.65 58.58 1xl3 h GLN 71 Cb -0.12 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.23 1xl3 h GLN 71 CO -0.08 0.84 -0.19 0.52 -2.65 0.00 0.00 178.83 177.27 1xl3 h MET 72 N 1.04 0.76 -0.34 1.69 2.86 -0.55 -0.14 114.93 120.25 1xl3 h MET 72 Ca 0.25 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1xl3 h MET 72 Cb 0.16 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1xl3 h MET 72 CO -0.03 0.89 0.13 0.00 1.06 0.00 0.00 176.91 178.97 1xl3 h GLN 74 N 0.40 0.80 -0.80 0.00 5.75 -0.31 -1.96 115.11 118.99 1xl3 h GLN 74 Ca 0.11 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1xl3 h GLN 74 Cb 0.19 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 1xl3 h GLN 74 CO -0.01 0.53 0.45 -0.91 -2.65 0.00 0.00 178.83 176.24 1xl3 h ASN 75 N 0.82 0.99 -0.64 -0.69 2.35 -0.50 -1.70 115.58 116.22 1xl3 h ASN 75 Ca 0.34 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1xl3 h ASN 75 Cb 0.19 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1xl3 h ASN 75 CO -0.18 0.80 0.25 0.00 -1.65 0.00 0.00 177.43 176.64 1xl3 h ALA 76 N 1.24 1.18 -0.01 -0.83 0.00 -0.82 -2.00 119.26 118.02 1xl3 h ALA 76 Ca 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xl3 h ALA 76 Cb 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1xl3 h ALA 76 CO -0.05 0.58 0.00 0.82 0.00 0.00 0.00 179.25 180.61 1xl3 h ILE 77 N 0.97 1.17 -0.65 0.00 2.04 -1.07 0.66 117.51 120.63 1xl3 h ILE 77 Ca 0.22 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1xl3 h ILE 77 Cb 0.21 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1xl3 h ILE 77 CO -0.02 0.13 0.42 0.44 0.00 0.00 0.00 178.15 179.13 1xl3 h ASP 78 N -0.20 0.72 -0.76 1.72 3.32 -1.20 0.29 116.42 120.31 1xl3 h ASP 78 Ca 0.00 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1xl3 h ASP 78 Cb 0.22 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1xl3 h ASP 78 CO -0.00 0.51 0.29 -0.03 -1.72 0.00 0.00 179.24 178.29 1xl3 h MET 79 N 0.85 1.15 -0.56 3.56 4.05 -1.31 -1.20 114.93 121.46 1xl3 h MET 79 Ca 0.24 -0.21 0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1xl3 h MET 79 Cb -0.06 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.52 1xl3 h MET 79 CO -0.07 0.94 0.35 0.00 0.23 0.00 0.00 176.91 178.36 1xl3 h ALA 80 N 1.20 0.72 -0.19 0.39 0.00 -0.25 -1.17 119.26 119.95 1xl3 h ALA 80 Ca 0.25 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1xl3 h ALA 80 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xl3 h ALA 80 CO -0.02 0.09 -0.26 0.82 0.00 0.00 0.00 179.25 179.89 1xl3 h ILE 81 N 0.71 1.25 0.05 0.00 1.08 -0.06 -2.48 117.51 118.06 1xl3 h ILE 81 Ca 0.22 -1.20 -0.24 0.00 -0.39 0.00 0.00 64.86 63.25 1xl3 h ILE 81 Cb -0.02 1.39 0.02 0.00 -3.07 0.00 0.00 36.82 35.15 1xl3 h ILE 81 CO -0.08 0.37 -0.95 -0.33 -0.69 0.00 0.00 178.15 176.47 1xl3 h GLU 82 N 0.31 0.55 -0.58 2.37 5.08 -0.88 -2.84 114.58 118.59 1xl3 h GLU 82 Ca 0.05 -0.66 0.11 0.00 -1.00 0.00 0.00 59.36 57.86 1xl3 h GLU 82 Cb 0.62 0.21 -0.09 0.00 0.50 0.00 0.00 28.75 29.99 1xl3 h GLU 82 CO 0.04 1.27 0.08 0.77 -1.00 0.00 0.00 179.01 180.17 1xl3 h SER 83 N 0.13 -0.10 -0.18 1.42 0.02 -1.19 -0.10 113.55 113.55 1xl3 h SER 83 Ca -0.13 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1xl3 h SER 83 Cb 1.65 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 64.31 1xl3 h SER 83 CO 0.18 -0.03 -0.55 -0.08 -1.14 0.00 0.00 176.83 175.21 1xl3 h GLU 84 N 0.20 -0.53 -0.50 3.45 4.81 -1.42 0.44 114.58 121.03 1xl3 h GLU 84 Ca 0.30 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.66 1xl3 h GLU 84 Cb 0.47 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1xl3 h GLU 84 CO -0.43 -0.36 0.34 0.93 -0.73 0.00 0.00 179.01 178.76 1xl3 h GLU 85 N -0.55 0.29 0.00 1.92 5.08 -1.23 -3.51 114.58 116.58 1xl3 h GLU 85 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xl3 h GLU 85 Cb 0.67 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1xl3 h GLU 85 CO -0.47 0.19 0.00 0.39 -1.00 0.00 0.00 179.01 178.12