#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6t h GLU 2 N 0.00 0.00 -0.01 3.17 4.81 -2.05 -1.43 114.58 119.08 1l6t h GLU 2 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1l6t h GLU 2 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1l6t h GLU 2 CO 0.00 0.00 -0.09 0.09 -0.73 0.00 0.00 179.01 178.28 1l6t n ASN 3 N -2.47 0.66 -0.02 1.04 3.02 -1.26 -2.85 115.26 113.38 1l6t n ASN 3 Ca 0.02 -0.84 -0.02 0.00 -0.03 0.00 0.00 54.58 53.71 1l6t n ASN 3 Cb 0.50 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.63 1l6t n ASN 3 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1l6t n LEU 4 N -0.72 2.62 0.25 3.41 0.00 -1.22 -4.61 117.00 116.74 1l6t n LEU 4 Ca 0.16 -0.01 0.09 0.00 0.00 0.00 0.00 56.01 56.25 1l6t n LEU 4 Cb 0.28 -0.11 0.65 0.00 0.00 0.00 0.00 43.42 44.24 1l6t n LEU 4 CO 0.22 0.49 0.99 -1.13 0.00 0.00 0.00 177.39 177.96 1l6t h ASN 5 N -0.02 0.00 0.00 1.96 -0.73 -1.37 -0.74 115.58 114.68 1l6t h ASN 5 Ca -0.08 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.09 1l6t h ASN 5 Cb 1.11 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.70 1l6t h ASN 5 CO -0.02 0.10 0.10 0.00 -0.37 0.00 0.00 177.43 177.24 1l6t h MET 6 N 0.00 0.00 0.00 6.67 -0.00 -1.77 -1.36 114.93 118.47 1l6t h MET 6 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 1l6t h MET 6 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.78 1l6t h MET 6 CO 0.01 0.00 -0.44 0.22 -0.00 0.00 0.00 176.91 176.70 1l6t h ASP 7 N 0.00 0.00 -0.59 -0.10 3.58 -1.43 -1.94 116.42 115.94 1l6t h ASP 7 Ca 0.00 -0.63 0.12 0.00 0.42 0.00 0.00 57.03 56.94 1l6t h ASP 7 Cb 0.19 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.15 1l6t h ASP 7 CO 0.00 1.07 0.02 0.25 -2.88 0.00 0.00 179.24 177.70 1l6t h LEU 8 N -1.00 -0.22 0.39 2.28 5.85 -1.35 0.16 115.31 121.42 1l6t h LEU 8 Ca -0.11 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1l6t h LEU 8 Cb 0.92 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1l6t h LEU 8 CO -0.07 -0.09 -0.19 0.25 -0.34 0.00 0.00 178.44 178.01 1l6t h LEU 9 N 0.14 -0.44 -1.50 2.25 6.46 -1.50 -2.61 115.31 118.11 1l6t h LEU 9 Ca 0.31 0.02 0.47 0.00 -0.12 0.00 0.00 57.88 58.55 1l6t h LEU 9 Cb 0.49 0.11 -0.10 0.00 -0.73 0.00 0.00 40.66 40.43 1l6t h LEU 9 CO -0.49 -0.23 1.02 0.00 -0.62 0.00 0.00 178.44 178.13 1l6t n TYR 10 N -3.91 0.35 0.15 1.25 4.19 -0.73 0.98 117.16 119.44 1l6t n TYR 10 Ca -0.06 0.35 -0.12 0.00 3.31 0.00 0.00 57.90 61.38 1l6t n TYR 10 Cb 0.21 -0.79 -0.07 0.00 0.49 0.00 0.00 39.34 39.18 1l6t n TYR 10 CO 0.00 0.00 0.00 1.98 0.91 0.00 0.00 176.86 179.75 1l6t h MET 11 N 0.00 -0.40 -0.85 2.98 4.05 -0.54 0.37 114.93 120.54 1l6t h MET 11 Ca 0.82 0.03 0.07 0.00 -0.28 0.00 0.00 59.70 60.34 1l6t h MET 11 Cb 2.96 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 33.78 1l6t h MET 11 CO -0.24 -0.06 0.52 0.00 0.23 0.00 0.00 176.91 177.36 1l6t h ALA 12 N -0.43 1.19 -0.45 0.39 0.00 0.10 0.40 119.26 120.46 1l6t h ALA 12 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1l6t h ALA 12 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1l6t h ALA 12 CO 0.07 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1l6t n ALA 13 N -2.36 -0.28 -0.31 0.00 0.00 0.36 -1.88 120.51 116.04 1l6t n ALA 13 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 1l6t n ALA 13 Cb 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.59 1l6t n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6t h ALA 14 N -2.00 -0.44 -0.99 0.00 0.00 -0.20 1.06 119.26 116.69 1l6t h ALA 14 Ca 0.00 0.09 0.27 0.00 0.00 0.00 0.00 54.91 55.27 1l6t h ALA 14 Cb 0.00 1.27 -0.18 0.00 0.00 0.00 0.00 17.79 18.88 1l6t h ALA 14 CO 0.00 -0.75 0.04 0.28 0.00 0.00 0.00 179.25 178.82 1l6t h VAL 15 N -0.02 0.02 -0.04 0.00 2.07 -0.30 0.89 116.25 118.88 1l6t h VAL 15 Ca 0.12 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1l6t h VAL 15 Cb 0.32 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1l6t h VAL 15 CO -0.70 0.00 0.02 -0.03 0.02 0.00 0.00 177.57 176.88 1l6t h MET 16 N 0.01 0.05 -0.28 1.57 4.05 0.17 -1.98 114.93 118.53 1l6t h MET 16 Ca 0.60 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 60.05 1l6t h MET 16 Cb 1.25 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.02 1l6t h MET 16 CO -0.92 0.11 0.19 0.52 0.23 0.00 0.00 176.91 177.05 1l6t h MET 17 N -0.02 0.24 0.50 0.39 2.07 0.34 0.97 114.93 119.41 1l6t h MET 17 Ca 0.01 -0.01 -0.02 0.00 -2.07 0.00 0.00 59.70 57.60 1l6t h MET 17 Cb 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 1l6t h MET 17 CO -0.00 0.16 -0.24 0.78 1.07 0.00 0.00 176.91 178.67 1l6t h GLY 18 N 0.24 -0.70 0.62 8.32 0.00 0.22 0.14 103.07 111.91 1l6t h GLY 18 Ca 0.12 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1l6t h GLY 18 CO -0.02 -0.26 -0.45 0.17 0.00 0.00 0.00 176.54 175.98 1l6t h LEU 19 N -0.87 -1.22 -0.27 3.11 8.10 -1.20 0.13 115.31 123.09 1l6t h LEU 19 Ca -0.07 0.09 0.04 0.00 0.11 0.00 0.00 57.88 58.05 1l6t h LEU 19 Cb 0.52 0.39 -0.06 0.00 -0.44 0.00 0.00 40.66 41.07 1l6t h LEU 19 CO 0.11 -0.63 -0.45 0.00 -4.11 0.00 0.00 178.44 173.36 1l6t h ALA 20 N -0.74 -0.73 -0.65 0.17 0.00 -0.91 0.29 119.26 116.69 1l6t h ALA 20 Ca -0.06 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1l6t h ALA 20 Cb 0.83 1.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.53 1l6t h ALA 20 CO -0.03 -0.93 -0.43 0.00 0.00 0.00 0.00 179.25 177.86 1l6t h ALA 21 N -0.35 -0.27 -0.72 0.00 0.00 -0.54 0.55 119.26 117.93 1l6t h ALA 21 Ca 0.05 0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.25 1l6t h ALA 21 Cb 0.50 0.98 -0.12 0.00 0.00 0.00 0.00 17.79 19.16 1l6t h ALA 21 CO -0.45 -0.81 0.09 0.82 0.00 0.00 0.00 179.25 178.90 1l6t h ILE 22 N -0.18 0.44 -0.07 0.00 2.04 0.71 0.35 117.51 120.79 1l6t h ILE 22 Ca 0.20 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 66.01 1l6t h ILE 22 Cb 0.56 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1l6t h ILE 22 CO -0.74 0.03 -0.25 1.23 0.00 0.00 0.00 178.15 178.42 1l6t h GLY 23 N 0.18 -1.37 0.56 5.37 0.00 0.37 0.41 103.07 108.58 1l6t h GLY 23 Ca 0.40 0.69 -0.02 0.00 0.00 0.00 0.00 47.33 48.40 1l6t h GLY 23 CO -0.57 -0.42 -0.44 -1.80 0.00 0.00 0.00 176.54 173.31 1l6t h ASP 24 N -0.26 -1.17 -1.76 0.19 3.58 -0.56 0.15 116.42 116.60 1l6t h ASP 24 Ca 0.02 0.08 0.51 0.00 0.42 0.00 0.00 57.03 58.06 1l6t h ASP 24 Cb 0.31 0.37 -0.07 0.00 1.72 0.00 0.00 39.33 41.66 1l6t h ASP 24 CO -0.21 -0.62 1.34 0.00 -2.88 0.00 0.00 179.24 176.87 1l6t h ALA 25 N -1.13 3.66 0.00 -0.78 0.00 -0.16 1.45 119.26 122.31 1l6t h ALA 25 Ca -0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1l6t h ALA 25 Cb 0.81 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1l6t h ALA 25 CO 0.01 -2.25 -0.00 0.82 0.00 0.00 0.00 179.25 177.83 1l6t h ILE 26 N 0.00 1.61 -0.74 0.00 2.04 0.17 -2.83 117.51 117.76 1l6t h ILE 26 Ca 0.83 -2.14 0.22 0.00 1.00 0.00 0.00 64.86 64.78 1l6t h ILE 26 Cb 3.51 3.01 -0.14 0.00 -0.74 0.00 0.00 36.82 42.46 1l6t h ILE 26 CO -0.01 0.53 0.09 0.61 0.00 0.00 0.00 178.15 179.37 1l6t n GLY 27 N 1.52 -0.92 0.07 5.37 0.00 0.49 0.13 105.19 111.85 1l6t n GLY 27 Ca -0.09 0.70 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 1l6t n GLY 27 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1l6t h ILE 28 N 0.00 1.53 -0.72 -0.61 5.03 -1.58 -2.20 117.51 118.96 1l6t h ILE 28 Ca 0.48 -1.77 0.14 0.00 -0.12 0.00 0.00 64.86 63.59 1l6t h ILE 28 Cb 1.06 2.70 -0.13 0.00 -3.03 0.00 0.00 36.82 37.42 1l6t h ILE 28 CO -0.67 0.45 -0.25 1.23 -0.68 0.00 0.00 178.15 178.23 1l6t h GLY 29 N -0.80 0.31 1.90 5.37 0.00 0.13 0.95 103.07 110.93 1l6t h GLY 29 Ca -0.00 0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.56 1l6t h GLY 29 CO 0.00 -0.26 -0.37 -2.22 0.00 0.00 0.00 176.54 173.70 1l6t h ILE 30 N -0.05 1.28 -0.66 2.60 5.03 -0.31 -2.67 117.51 122.73 1l6t h ILE 30 Ca 0.32 -1.35 0.02 0.00 -0.12 0.00 0.00 64.86 63.73 1l6t h ILE 30 Cb 0.55 1.66 -0.04 0.00 -3.03 0.00 0.00 36.82 35.96 1l6t h ILE 30 CO -0.76 0.40 0.42 0.25 -0.68 0.00 0.00 178.15 177.78 1l6t h LEU 31 N 0.10 0.71 -1.84 1.44 6.46 0.14 0.21 115.31 122.54 1l6t h LEU 31 Ca 0.01 -0.01 0.14 0.00 -0.12 0.00 0.00 57.88 57.90 1l6t h LEU 31 Cb 0.71 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1l6t h LEU 31 CO 0.05 0.50 0.41 1.23 -0.62 0.00 0.00 178.44 180.02 1l6t h GLY 32 N 0.85 0.26 0.79 3.75 0.00 -0.38 0.14 103.07 108.48 1l6t h GLY 32 Ca 0.26 -0.07 -0.24 0.00 0.00 0.00 0.00 47.33 47.28 1l6t h GLY 32 CO -0.08 0.03 -1.07 -1.33 0.00 0.00 0.00 176.54 174.09 1l6t h GLY 33 N 0.16 0.40 1.99 4.60 0.00 -1.18 -2.95 103.07 106.09 1l6t h GLY 33 Ca 0.28 -1.01 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1l6t h GLY 33 CO -0.04 0.89 0.00 1.17 0.00 0.00 0.00 176.54 178.55 1l6t n LYS 34 N -4.00 0.00 -0.04 4.80 4.81 -0.09 -1.68 118.16 121.97 1l6t n LYS 34 Ca -0.16 0.31 -0.11 0.00 -0.87 0.00 0.00 58.31 57.48 1l6t n LYS 34 Cb 0.90 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 34.31 1l6t n LYS 34 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1l6t n PHE 35 N -1.50 0.81 -0.28 5.64 7.35 0.37 -3.58 117.46 126.28 1l6t n PHE 35 Ca 0.03 0.27 -0.11 0.00 -0.76 0.00 0.00 57.45 56.87 1l6t n PHE 35 Cb 0.13 -1.14 -0.09 0.00 0.35 0.00 0.00 39.48 38.73 1l6t n PHE 35 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1l6t h LEU 36 N 0.01 -1.87 -0.77 -2.13 5.85 -1.14 1.54 115.31 116.79 1l6t h LEU 36 Ca -0.37 0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1l6t h LEU 36 Cb 2.06 0.80 -0.02 0.00 0.37 0.00 0.00 40.66 43.88 1l6t h LEU 36 CO 0.06 -0.27 -0.19 -0.08 -0.34 0.00 0.00 178.44 177.62 1l6t h GLU 37 N -0.15 0.72 -0.53 1.25 4.81 -1.76 0.43 114.58 119.35 1l6t h GLU 37 Ca 0.11 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1l6t h GLU 37 Cb 0.44 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1l6t h GLU 37 CO -0.73 0.86 0.35 0.78 -0.73 0.00 0.00 179.01 179.54 1l6t h GLY 38 N 0.98 0.68 0.34 1.92 0.00 -0.59 -0.55 103.07 105.85 1l6t h GLY 38 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1l6t h GLY 38 CO 0.05 0.20 -1.04 0.00 0.00 0.00 0.00 176.54 175.76 1l6t n ALA 39 N -2.48 3.96 0.26 3.60 0.00 0.49 -4.04 120.51 122.30 1l6t n ALA 39 Ca 0.06 -0.49 0.10 0.00 0.00 0.00 0.00 53.44 53.11 1l6t n ALA 39 Cb 0.15 -0.88 0.72 0.00 0.00 0.00 0.00 19.45 19.43 1l6t n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6t h ALA 40 N 2.75 1.88 -0.01 0.00 0.00 0.15 0.48 119.26 124.52 1l6t h ALA 40 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1l6t h ALA 40 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1l6t h ALA 40 CO 0.00 -0.02 -0.03 0.54 0.00 0.00 0.00 179.25 179.74 1l6t n ARG 41 N -4.35 1.46 -3.87 0.00 1.74 -1.17 -4.67 116.66 105.80 1l6t n ARG 41 Ca -0.03 -0.77 -0.35 0.00 -0.77 0.00 0.00 57.85 55.93 1l6t n ARG 41 Cb 0.10 -1.48 -0.13 0.00 -1.02 0.00 0.00 32.46 29.93 1l6t n ARG 41 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1l6t s GLN 42 N -2.07 2.12 0.00 5.56 -1.52 0.17 -4.93 119.66 118.98 1l6t s GLN 42 Ca 0.37 -1.58 0.22 0.00 -1.95 0.00 0.00 55.36 52.42 1l6t s GLN 42 Cb 0.21 -3.35 1.32 0.00 -0.22 0.00 0.00 33.01 30.97 1l6t s GLN 42 CO 0.36 -0.86 1.72 -0.35 -0.25 0.00 0.00 175.29 175.92 1l6t n PRO 43 N 4.56 0.75 -0.04 2.91 -0.04 -1.26 -1.92 135.00 139.95 1l6t n PRO 43 Ca -0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1l6t n PRO 43 Cb 0.42 -1.46 0.04 0.00 -0.04 0.00 0.00 33.50 32.46 1l6t n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1l6t n ASP 44 N -0.96 1.82 -0.17 3.54 8.00 -1.26 -4.56 116.55 122.96 1l6t n ASP 44 Ca 0.17 -2.20 0.02 0.00 0.71 0.00 0.00 54.79 53.49 1l6t n ASP 44 Cb 0.08 -0.13 0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1l6t n ASP 44 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1l6t n LEU 45 N -0.69 0.94 0.01 0.64 0.00 -0.81 -4.78 117.00 112.31 1l6t n LEU 45 Ca 0.04 -1.41 -0.12 0.00 0.00 0.00 0.00 56.01 54.52 1l6t n LEU 45 Cb 0.40 -0.10 -0.09 0.00 0.00 0.00 0.00 43.42 43.63 1l6t n LEU 45 CO 0.00 0.34 0.51 0.40 0.00 0.00 0.00 177.39 178.64 1l6t h ILE 46 N 2.93 1.23 0.00 1.96 2.04 -1.76 0.93 117.51 124.83 1l6t h ILE 46 Ca 0.00 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1l6t h ILE 46 Cb 1.02 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1l6t h ILE 46 CO 0.00 0.31 0.00 -0.81 0.00 0.00 0.00 178.15 177.65 1l6t n PRO 47 N -4.85 0.67 -0.13 2.37 -0.04 -1.26 -2.62 135.00 129.13 1l6t n PRO 47 Ca -0.08 0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.11 1l6t n PRO 47 Cb 0.29 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.16 1l6t n PRO 47 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1l6t n LEU 48 N -1.05 1.95 -0.07 1.53 4.77 -1.15 -3.64 117.00 119.33 1l6t n LEU 48 Ca 0.17 0.34 -0.07 0.00 -0.03 0.00 0.00 56.01 56.42 1l6t n LEU 48 Cb 0.10 -0.82 -0.01 0.00 -2.33 0.00 0.00 43.42 40.36 1l6t n LEU 48 CO 0.14 0.48 0.80 0.17 -1.33 0.00 0.00 177.39 177.65 1l6t h LEU 49 N -1.00 -0.31 0.35 2.23 8.10 -0.78 0.15 115.31 124.05 1l6t h LEU 49 Ca -0.62 0.09 -0.02 0.00 0.11 0.00 0.00 57.88 57.44 1l6t h LEU 49 Cb 1.54 0.20 0.00 0.00 -0.44 0.00 0.00 40.66 41.96 1l6t h LEU 49 CO -0.38 -0.11 -0.20 0.03 -4.11 0.00 0.00 178.44 173.67 1l6t h ARG 50 N -0.03 -0.49 -0.93 0.17 3.08 -1.73 0.45 114.38 114.90 1l6t h ARG 50 Ca 0.14 0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.46 1l6t h ARG 50 Cb 0.24 0.11 -0.17 0.00 0.08 0.00 0.00 29.97 30.23 1l6t h ARG 50 CO -0.31 -0.33 -0.04 2.41 -1.07 0.00 0.00 179.97 180.64 1l6t n THR 51 N -3.50 -0.39 0.27 2.04 -1.04 -1.14 0.57 114.28 111.10 1l6t n THR 51 Ca -0.06 2.07 -0.16 0.00 -2.04 0.00 0.00 64.05 63.86 1l6t n THR 51 Cb 0.21 -2.99 -0.08 0.00 -1.82 0.00 0.00 70.33 65.65 1l6t n THR 51 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1l6t h GLN 52 N 0.00 -0.62 -0.54 -2.82 1.08 -0.72 -2.80 115.11 108.69 1l6t h GLN 52 Ca 0.54 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.84 1l6t h GLN 52 Cb 1.05 0.14 -0.09 0.00 -0.05 0.00 0.00 27.48 28.53 1l6t h GLN 52 CO -0.90 -0.40 -0.56 0.35 -0.95 0.00 0.00 178.83 176.38 1l6t h PHE 53 N -0.67 -1.72 -0.81 2.96 3.57 0.24 0.43 116.94 120.93 1l6t h PHE 53 Ca -0.07 0.09 0.15 0.00 3.53 0.00 0.00 57.97 61.68 1l6t h PHE 53 Cb 0.51 0.82 -0.15 0.00 2.79 0.00 0.00 35.95 39.92 1l6t h PHE 53 CO -0.04 -0.46 -0.27 0.35 -2.23 0.00 0.00 178.31 175.66 1l6t h PHE 54 N -0.31 -0.65 -0.82 0.41 3.57 -1.13 0.93 116.94 118.95 1l6t h PHE 54 Ca 0.10 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1l6t h PHE 54 Cb 0.56 0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 1l6t h PHE 54 CO -0.79 -0.37 0.38 0.82 -2.23 0.00 0.00 178.31 176.12 1l6t h ILE 55 N -0.03 1.25 0.34 1.41 2.04 -0.76 -2.33 117.51 119.43 1l6t h ILE 55 Ca 0.36 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1l6t h ILE 55 Cb 0.60 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1l6t h ILE 55 CO -0.85 0.31 -0.18 0.58 0.00 0.00 0.00 178.15 178.01 1l6t h VAL 56 N 1.17 0.00 -1.61 1.67 2.07 0.50 0.81 116.25 120.87 1l6t h VAL 56 Ca 0.28 0.00 0.48 0.00 0.82 0.00 0.00 66.70 68.28 1l6t h VAL 56 Cb 0.13 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.81 1l6t h VAL 56 CO -0.03 0.00 1.13 0.24 0.02 0.00 0.00 177.57 178.92 1l6t h MET 57 N -0.48 0.03 -0.06 1.57 2.86 -0.15 1.49 114.93 120.19 1l6t h MET 57 Ca -0.05 -0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.38 1l6t h MET 57 Cb 0.38 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.04 1l6t h MET 57 CO 0.06 0.02 -0.80 0.78 1.06 0.00 0.00 176.91 178.04 1l6t h GLY 58 N 0.03 0.71 1.73 8.32 0.00 -0.83 -2.37 103.07 110.66 1l6t h GLY 58 Ca 0.82 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1l6t h GLY 58 CO -0.13 1.00 0.00 1.04 0.00 0.00 0.00 176.54 178.45 1l6t n LEU 59 N -4.02 0.00 0.03 3.11 4.77 0.46 -0.37 117.00 120.98 1l6t n LEU 59 Ca -0.10 0.36 -0.20 0.00 -0.03 0.00 0.00 56.01 56.05 1l6t n LEU 59 Cb 0.76 -0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 41.34 1l6t n LEU 59 CO 0.52 -0.02 -0.63 0.58 -1.33 0.00 0.00 177.39 176.50 1l6t h VAL 60 N 0.00 0.81 0.00 4.08 2.07 0.17 -2.17 116.25 121.21 1l6t h VAL 60 Ca 0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1l6t h VAL 60 Cb 0.34 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1l6t h VAL 60 CO 0.00 0.83 -0.74 0.59 0.02 0.00 0.00 177.57 178.27 1l6t n ASN 61 N -3.46 0.70 -0.03 0.57 5.03 -0.91 -4.07 115.26 113.09 1l6t n ASN 61 Ca -0.26 -0.53 -0.20 0.00 0.87 0.00 0.00 54.58 54.46 1l6t n ASN 61 Cb 1.06 0.59 -0.13 0.00 -1.02 0.00 0.00 39.78 40.27 1l6t n ASN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1l6t n ALA 62 N -1.53 1.05 -0.18 5.41 0.00 0.50 -2.63 120.51 123.12 1l6t n ALA 62 Ca 0.05 -0.73 -0.01 0.00 0.00 0.00 0.00 53.44 52.74 1l6t n ALA 62 Cb 0.34 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.32 1l6t n ALA 62 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1l6t h ILE 63 N 0.05 0.50 0.09 0.00 2.04 -1.53 0.24 117.51 118.89 1l6t h ILE 63 Ca -0.46 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1l6t h ILE 63 Cb 2.00 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1l6t h ILE 63 CO 0.04 0.01 -0.04 1.55 0.00 0.00 0.00 178.15 179.71 1l6t h PRO 64 N 0.05 -0.12 -0.92 2.37 0.13 -1.74 -1.55 132.00 130.24 1l6t h PRO 64 Ca 0.28 0.01 0.23 0.00 -0.87 0.00 0.00 66.00 65.65 1l6t h PRO 64 Cb 0.43 0.03 -0.17 0.00 0.13 0.00 0.00 31.00 31.42 1l6t h PRO 64 CO -0.52 0.41 0.01 0.52 -0.23 0.00 0.00 178.00 178.19 1l6t h MET 65 N -0.87 0.05 -0.00 0.86 2.86 -1.24 1.55 114.93 118.13 1l6t h MET 65 Ca -0.01 -0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.45 1l6t h MET 65 Cb 0.58 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1l6t h MET 65 CO 0.02 0.03 -0.80 0.82 1.06 0.00 0.00 176.91 178.05 1l6t h ILE 66 N 0.05 1.54 0.00 -1.22 2.04 -0.62 0.40 117.51 119.70 1l6t h ILE 66 Ca 0.53 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.76 1l6t h ILE 66 Cb 1.03 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.53 1l6t h ILE 66 CO -0.84 0.76 0.00 0.00 0.00 0.00 0.00 178.15 178.06 1l6t n ALA 67 N -2.41 -0.40 0.22 1.87 0.00 0.49 -1.20 120.51 119.06 1l6t n ALA 67 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1l6t n ALA 67 Cb 0.76 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.71 1l6t n ALA 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1l6t h VAL 68 N 0.00 0.95 0.49 0.00 2.07 -0.40 -2.62 116.25 116.74 1l6t h VAL 68 Ca 0.00 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1l6t h VAL 68 Cb 0.00 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1l6t h VAL 68 CO 0.00 0.25 -0.45 1.23 0.02 0.00 0.00 177.57 178.61 1l6t h GLY 69 N 1.06 -1.22 0.82 2.17 0.00 -0.15 0.26 103.07 106.01 1l6t h GLY 69 Ca -0.00 0.56 0.01 0.00 0.00 0.00 0.00 47.33 47.89 1l6t h GLY 69 CO 0.03 -0.37 -0.12 1.41 0.00 0.00 0.00 176.54 177.49 1l6t h LEU 70 N -0.93 -0.33 -0.82 3.11 3.38 -1.10 0.11 115.31 118.74 1l6t h LEU 70 Ca -0.06 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.15 1l6t h LEU 70 Cb 0.80 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 1l6t h LEU 70 CO -0.04 -0.18 0.19 1.23 0.09 0.00 0.00 178.44 179.73 1l6t h GLY 71 N -0.25 1.19 0.72 0.83 0.00 -1.32 0.85 103.07 105.10 1l6t h GLY 71 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1l6t h GLY 71 CO -0.05 -0.30 -0.35 1.41 0.00 0.00 0.00 176.54 177.25 1l6t h LEU 72 N 0.22 -0.82 -0.99 3.11 3.38 0.13 -1.80 115.31 118.54 1l6t h LEU 72 Ca 0.49 0.03 0.31 0.00 0.09 0.00 0.00 57.88 58.80 1l6t h LEU 72 Cb 0.93 0.21 -0.18 0.00 0.09 0.00 0.00 40.66 41.71 1l6t h LEU 72 CO -0.61 -0.47 0.16 0.22 0.09 0.00 0.00 178.44 177.83 1l6t h TYR 73 N -1.21 0.17 -0.47 1.13 5.03 0.01 1.54 116.97 123.17 1l6t h TYR 73 Ca -0.10 0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 1l6t h TYR 73 Cb 0.74 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.09 1l6t h TYR 73 CO 0.01 -0.44 0.18 0.28 -1.32 0.00 0.00 178.16 176.87 1l6t h VAL 74 N 0.01 1.21 -0.99 1.81 2.07 -0.77 0.21 116.25 119.80 1l6t h VAL 74 Ca 0.66 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1l6t h VAL 74 Cb 1.48 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 1l6t h VAL 74 CO -0.88 0.24 0.65 -0.03 0.02 0.00 0.00 177.57 177.57 1l6t h MET 75 N 0.62 1.27 0.00 1.57 1.85 0.29 -0.41 114.93 120.12 1l6t h MET 75 Ca 0.16 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.17 1l6t h MET 75 Cb 0.20 -0.29 0.00 0.00 0.43 0.00 0.00 31.60 31.95 1l6t h MET 75 CO -0.01 0.84 -0.04 0.34 -0.40 0.00 0.00 176.91 177.63 1l6t n PHE 76 N -4.42 0.56 -0.03 1.39 7.35 0.59 -2.54 117.46 120.37 1l6t n PHE 76 Ca 0.12 0.16 -0.14 0.00 -0.76 0.00 0.00 57.45 56.84 1l6t n PHE 76 Cb 0.04 -0.76 -0.10 0.00 0.35 0.00 0.00 39.48 39.02 1l6t n PHE 76 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1l6t h ALA 77 N 2.70 0.09 -0.03 3.13 0.00 0.11 -3.19 119.26 122.07 1l6t h ALA 77 Ca 0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 1l6t h ALA 77 Cb 0.65 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1l6t h ALA 77 CO 0.00 0.04 -0.65 -0.24 0.00 0.00 0.00 179.25 178.40 1l6t h VAL 78 N -0.33 1.43 0.00 0.00 3.04 -1.48 -3.51 116.25 115.39 1l6t h VAL 78 Ca -0.01 -2.15 0.00 0.00 -1.01 0.00 0.00 66.70 63.53 1l6t h VAL 78 Cb 0.82 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 32.24 1l6t h VAL 78 CO 0.04 0.62 0.00 0.00 -1.01 0.00 0.00 177.57 177.22