#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6t n GLU 2 N 0.00 2.40 -0.26 0.03 1.02 -1.26 -4.38 120.64 118.19 1l6t n GLU 2 Ca 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 57.16 56.68 1l6t n GLU 2 Cb 0.00 -0.95 0.01 0.00 -0.02 0.00 0.00 31.44 30.47 1l6t n GLU 2 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1l6t n ASN 3 N -0.35 0.14 -0.03 1.62 3.02 -1.26 -4.70 115.26 113.69 1l6t n ASN 3 Ca 0.02 -1.61 -0.08 0.00 -0.03 0.00 0.00 54.58 52.88 1l6t n ASN 3 Cb 0.13 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 1l6t n ASN 3 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1l6t n LEU 4 N -0.07 0.72 -0.03 3.41 4.77 -1.26 -4.50 117.00 120.04 1l6t n LEU 4 Ca 0.01 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 1l6t n LEU 4 Cb 0.60 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1l6t n LEU 4 CO 0.00 0.05 0.79 -1.13 -1.33 0.00 0.00 177.39 175.77 1l6t h ASN 5 N -0.30 0.18 -0.67 -1.43 -0.73 -1.89 -3.03 115.58 107.70 1l6t h ASN 5 Ca -0.18 -0.23 0.13 0.00 1.87 0.00 0.00 56.30 57.89 1l6t h ASN 5 Cb 1.05 -0.05 -0.13 0.00 0.27 0.00 0.00 38.32 39.46 1l6t h ASN 5 CO -0.11 0.36 -0.20 0.24 -0.37 0.00 0.00 177.43 177.35 1l6t h MET 6 N -0.02 -0.03 -0.75 6.67 2.86 -1.85 0.22 114.93 122.03 1l6t h MET 6 Ca 0.04 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.83 1l6t h MET 6 Cb 0.26 0.01 -0.14 0.00 0.06 0.00 0.00 31.60 31.78 1l6t h MET 6 CO 0.00 -0.02 -0.17 -0.44 1.06 0.00 0.00 176.91 177.34 1l6t h ASP 7 N -0.03 -0.67 0.30 1.22 3.32 -1.76 0.32 116.42 119.13 1l6t h ASP 7 Ca 0.31 0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.58 1l6t h ASP 7 Cb 0.51 0.46 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 1l6t h ASP 7 CO -0.71 -0.24 -0.21 0.25 -1.72 0.00 0.00 179.24 176.61 1l6t h LEU 8 N 0.01 -0.54 -0.32 1.55 6.46 -0.61 -1.12 115.31 120.74 1l6t h LEU 8 Ca 0.37 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 58.19 1l6t h LEU 8 Cb 0.57 0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.62 1l6t h LEU 8 CO -0.76 -0.31 -0.20 0.25 -0.62 0.00 0.00 178.44 176.80 1l6t h LEU 9 N -0.48 -0.71 -0.89 2.25 7.12 -0.36 0.32 115.31 122.55 1l6t h LEU 9 Ca -0.04 0.11 0.09 0.00 0.13 0.00 0.00 57.88 58.17 1l6t h LEU 9 Cb 0.39 0.31 -0.11 0.00 -0.53 0.00 0.00 40.66 40.72 1l6t h LEU 9 CO 0.03 -0.08 -0.48 0.00 -0.13 0.00 0.00 178.44 177.77 1l6t n TYR 10 N -3.74 -0.30 -0.29 1.25 4.19 0.10 0.48 117.16 118.86 1l6t n TYR 10 Ca 0.01 1.10 0.01 0.00 3.31 0.00 0.00 57.90 62.33 1l6t n TYR 10 Cb 0.09 -0.63 0.08 0.00 0.49 0.00 0.00 39.34 39.37 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 -0.03 -0.25 2.98 4.05 0.37 0.53 114.93 122.58 1l6t h MET 11 Ca 0.18 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.63 1l6t h MET 11 Cb 0.40 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1l6t h MET 11 CO -0.84 -0.02 0.08 0.00 0.23 0.00 0.00 176.91 176.36 1l6t h ALA 12 N 1.63 0.28 -1.31 0.39 0.00 0.96 0.26 119.26 121.47 1l6t h ALA 12 Ca 0.36 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1l6t h ALA 12 Cb 0.60 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1l6t h ALA 12 CO -0.85 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.07 1l6t n ALA 13 N -2.28 -0.25 -0.20 0.00 0.00 0.13 -0.14 120.51 117.77 1l6t n ALA 13 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 1l6t n ALA 13 Cb 0.09 0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1l6t n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6t n ALA 14 N -1.43 -0.30 -0.38 0.00 0.00 0.14 0.30 120.51 118.83 1l6t n ALA 14 Ca 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 1l6t n ALA 14 Cb 0.00 0.19 0.04 0.00 0.00 0.00 0.00 19.45 19.68 1l6t n ALA 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1l6t h VAL 15 N 0.00 0.00 -0.64 0.00 2.07 -0.50 1.11 116.25 118.28 1l6t h VAL 15 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1l6t h VAL 15 Cb 0.19 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.89 1l6t h VAL 15 CO -0.44 0.00 0.28 -0.03 0.02 0.00 0.00 177.57 177.39 1l6t h MET 16 N -0.00 0.47 -0.59 1.57 -1.53 0.33 0.04 114.93 115.21 1l6t h MET 16 Ca 0.35 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.55 1l6t h MET 16 Cb 0.60 -0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 31.52 1l6t h MET 16 CO -0.99 0.31 0.23 0.52 0.14 0.00 0.00 176.91 177.12 1l6t h MET 17 N 0.48 0.87 0.17 0.39 2.07 0.50 0.03 114.93 119.44 1l6t h MET 17 Ca 0.32 -0.14 -0.01 0.00 -2.07 0.00 0.00 59.70 57.81 1l6t h MET 17 Cb 0.37 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 1l6t h MET 17 CO -0.29 0.72 -0.08 0.78 1.07 0.00 0.00 176.91 179.11 1l6t h GLY 18 N 0.97 -0.24 -0.20 8.32 0.00 0.14 0.11 103.07 112.17 1l6t h GLY 18 Ca 0.20 0.09 0.16 0.00 0.00 0.00 0.00 47.33 47.78 1l6t h GLY 18 CO -0.02 -0.09 0.05 0.17 0.00 0.00 0.00 176.54 176.66 1l6t h LEU 19 N -0.30 -0.23 0.23 3.11 8.10 -1.10 0.34 115.31 125.46 1l6t h LEU 19 Ca -0.02 0.17 0.01 0.00 0.11 0.00 0.00 57.88 58.15 1l6t h LEU 19 Cb 0.17 0.29 -0.03 0.00 -0.44 0.00 0.00 40.66 40.65 1l6t h LEU 19 CO 0.04 -0.13 -0.34 0.00 -4.11 0.00 0.00 178.44 173.90 1l6t h ALA 20 N 1.64 -0.66 0.11 0.17 0.00 -1.02 0.30 119.26 119.81 1l6t h ALA 20 Ca 0.39 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1l6t h ALA 20 Cb 0.67 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1l6t h ALA 20 CO -0.59 -0.92 -0.38 0.00 0.00 0.00 0.00 179.25 177.37 1l6t h ALA 21 N -0.09 -0.89 -0.94 0.00 0.00 0.13 -0.34 119.26 117.13 1l6t h ALA 21 Ca 0.00 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.11 1l6t h ALA 21 Cb 0.62 0.76 -0.15 0.00 0.00 0.00 0.00 17.79 19.02 1l6t h ALA 21 CO -0.13 -0.98 0.34 0.82 0.00 0.00 0.00 179.25 179.30 1l6t h ILE 22 N -0.56 0.25 0.02 0.00 2.04 -0.24 0.31 117.51 119.33 1l6t h ILE 22 Ca -0.01 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1l6t h ILE 22 Cb 0.55 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1l6t h ILE 22 CO -0.19 0.04 -0.20 1.23 0.00 0.00 0.00 178.15 179.02 1l6t h GLY 23 N 0.20 -1.25 0.76 5.37 0.00 0.13 0.41 103.07 108.68 1l6t h GLY 23 Ca 0.64 0.60 -0.03 0.00 0.00 0.00 0.00 47.33 48.53 1l6t h GLY 23 CO -0.68 -0.41 -0.48 -1.80 0.00 0.00 0.00 176.54 173.17 1l6t h ASP 24 N -0.27 -1.22 -1.84 0.19 3.58 -0.34 0.13 116.42 116.65 1l6t h ASP 24 Ca 0.00 0.07 0.54 0.00 0.42 0.00 0.00 57.03 58.06 1l6t h ASP 24 Cb 0.28 0.36 -0.08 0.00 1.72 0.00 0.00 39.33 41.61 1l6t h ASP 24 CO -0.13 -0.73 1.32 0.00 -2.88 0.00 0.00 179.24 176.82 1l6t h ALA 25 N -1.19 3.70 0.01 -0.78 0.00 -0.39 1.35 119.26 121.96 1l6t h ALA 25 Ca -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1l6t h ALA 25 Cb 0.94 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1l6t h ALA 25 CO 0.09 -2.25 -0.00 0.82 0.00 0.00 0.00 179.25 177.91 1l6t h ILE 26 N 0.00 1.57 -0.70 0.00 2.04 0.13 -2.81 117.51 117.73 1l6t h ILE 26 Ca 0.90 -2.02 0.20 0.00 1.00 0.00 0.00 64.86 64.94 1l6t h ILE 26 Cb 3.54 2.88 -0.13 0.00 -0.74 0.00 0.00 36.82 42.37 1l6t h ILE 26 CO -0.06 0.50 0.04 0.61 0.00 0.00 0.00 178.15 179.24 1l6t n GLY 27 N 1.37 -0.93 0.07 5.37 0.00 0.46 0.14 105.19 111.67 1l6t n GLY 27 Ca -0.09 0.68 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 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 1.49 -0.64 -0.61 5.03 -1.58 -2.24 117.51 118.96 1l6t h ILE 28 Ca 0.44 -1.72 0.11 0.00 -0.12 0.00 0.00 64.86 63.57 1l6t h ILE 28 Cb 0.92 2.62 -0.12 0.00 -3.03 0.00 0.00 36.82 37.21 1l6t h ILE 28 CO -0.65 0.43 -0.33 1.23 -0.68 0.00 0.00 178.15 178.15 1l6t h GLY 29 N -0.79 -0.05 1.90 5.37 0.00 0.15 0.84 103.07 110.49 1l6t h GLY 29 Ca -0.00 0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.70 1l6t h GLY 29 CO 0.00 -0.21 -0.23 -2.22 0.00 0.00 0.00 176.54 173.88 1l6t h ILE 30 N -0.13 1.20 -0.20 2.60 1.08 -0.23 -2.63 117.51 119.20 1l6t h ILE 30 Ca 0.25 -0.95 0.03 0.00 -0.39 0.00 0.00 64.86 63.80 1l6t h ILE 30 Cb 0.56 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 1l6t h ILE 30 CO -0.72 0.28 0.03 0.25 -0.69 0.00 0.00 178.15 177.31 1l6t h LEU 31 N 0.11 0.00 -1.44 1.44 6.46 0.12 0.19 115.31 122.20 1l6t h LEU 31 Ca 0.02 0.03 0.18 0.00 -0.12 0.00 0.00 57.88 57.99 1l6t h LEU 31 Cb 0.48 0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.39 1l6t h LEU 31 CO 0.03 0.03 0.58 1.23 -0.62 0.00 0.00 178.44 179.70 1l6t h GLY 32 N 0.11 0.99 1.03 3.75 0.00 -0.49 0.45 103.07 108.91 1l6t h GLY 32 Ca 0.09 -0.22 -0.19 0.00 0.00 0.00 0.00 47.33 47.01 1l6t h GLY 32 CO -0.12 0.02 -0.66 -1.33 0.00 0.00 0.00 176.54 174.44 1l6t h GLY 33 N 0.49 0.73 2.00 4.60 0.00 -1.19 0.16 103.07 109.86 1l6t h GLY 33 Ca 0.46 -1.05 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1l6t h GLY 33 CO -0.19 0.93 0.00 1.17 0.00 0.00 0.00 176.54 178.45 1l6t n LYS 34 N -4.07 0.08 -0.09 4.80 4.81 -0.07 -2.69 118.16 120.93 1l6t n LYS 34 Ca -0.08 0.24 -0.12 0.00 -0.87 0.00 0.00 58.31 57.48 1l6t n LYS 34 Cb 0.68 -1.63 -0.15 0.00 0.02 0.00 0.00 35.03 33.96 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 -1.78 0.20 -0.34 5.64 7.35 0.14 -3.58 117.46 125.10 1l6t n PHE 35 Ca 0.04 0.07 0.19 0.00 -0.76 0.00 0.00 57.45 56.99 1l6t n PHE 35 Cb 0.25 -1.03 0.41 0.00 0.35 0.00 0.00 39.48 39.46 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 0.00 0.59 0.17 -2.13 5.85 -0.46 1.55 115.31 120.88 1l6t h LEU 36 Ca -0.51 0.16 -0.32 0.00 0.84 0.00 0.00 57.88 58.04 1l6t h LEU 36 Cb 2.14 0.08 0.01 0.00 0.37 0.00 0.00 40.66 43.26 1l6t h LEU 36 CO 0.02 0.01 -1.56 -0.08 -0.34 0.00 0.00 178.44 176.49 1l6t h GLU 37 N 0.48 0.37 0.00 1.25 4.57 -1.75 -1.13 114.58 118.37 1l6t h GLU 37 Ca 0.67 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1l6t h GLU 37 Cb 1.36 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 30.19 1l6t h GLU 37 CO -0.53 1.27 0.00 0.41 -1.18 0.00 0.00 179.01 178.98 1l6t n GLY 38 N 1.72 -0.78 0.03 1.92 0.00 0.80 -2.98 105.19 105.90 1l6t n GLY 38 Ca -0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 1l6t n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l6t n ALA 39 N -1.02 1.86 0.02 4.61 0.00 0.50 -4.53 120.51 121.94 1l6t n ALA 39 Ca 0.18 -0.31 0.22 0.00 0.00 0.00 0.00 53.44 53.53 1l6t n ALA 39 Cb 0.09 0.28 0.61 0.00 0.00 0.00 0.00 19.45 20.42 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 0.09 2.34 -0.89 0.00 0.00 -1.10 0.68 119.26 120.38 1l6t h ALA 40 Ca -0.15 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 54.93 1l6t h ALA 40 Cb 1.27 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1l6t h ALA 40 CO -0.01 -1.04 0.59 0.00 0.00 0.00 0.00 179.25 178.79 1l6t h ARG 41 N 0.00 0.43 -4.88 0.00 3.08 -1.80 -3.36 114.38 107.86 1l6t h ARG 41 Ca 0.27 -0.03 -0.65 0.00 0.07 0.00 0.00 59.98 59.65 1l6t h ARG 41 Cb 1.75 -0.10 -0.36 0.00 0.08 0.00 0.00 29.97 31.35 1l6t h ARG 41 CO -0.00 0.29 -0.84 1.14 -1.07 0.00 0.00 179.97 179.48 1l6t s GLN 42 N -5.46 2.61 0.00 0.04 0.00 0.24 -4.97 119.66 112.11 1l6t s GLN 42 Ca -0.08 -0.84 0.24 0.00 -0.00 0.00 0.00 55.36 54.68 1l6t s GLN 42 Cb 0.23 -2.49 1.38 0.00 0.00 0.00 0.00 33.01 32.13 1l6t s GLN 42 CO 0.78 -0.29 1.79 -0.35 0.00 0.00 0.00 175.29 177.22 1l6t n PRO 43 N 4.64 0.67 -0.39 9.60 -0.04 -1.26 -2.03 135.00 146.19 1l6t n PRO 43 Ca -0.18 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.40 1l6t n PRO 43 Cb 0.49 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.05 3.99 -0.30 3.54 9.92 -1.26 -4.04 116.55 127.34 1l6t n ASP 44 Ca 0.17 -2.07 0.00 0.00 -0.53 0.00 0.00 54.79 52.36 1l6t n ASP 44 Cb 0.10 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 1l6t n ASP 44 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1l6t n LEU 45 N 1.46 0.00 -0.03 0.64 7.94 -0.86 -4.83 117.00 121.33 1l6t n LEU 45 Ca 0.24 -0.62 -0.09 0.00 -1.11 0.00 0.00 56.01 54.42 1l6t n LEU 45 Cb 0.65 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.52 1l6t n LEU 45 CO 0.17 0.22 0.30 0.40 -1.11 0.00 0.00 177.39 177.37 1l6t h ILE 46 N 5.28 1.05 0.00 1.96 2.04 -1.68 -2.63 117.51 123.53 1l6t h ILE 46 Ca 0.00 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.25 1l6t h ILE 46 Cb 1.22 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1l6t h ILE 46 CO 0.00 0.33 0.00 -0.81 0.00 0.00 0.00 178.15 177.67 1l6t n PRO 47 N -4.75 0.75 -0.04 2.37 -0.04 -1.26 -1.17 135.00 130.86 1l6t n PRO 47 Ca -0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.37 1l6t n PRO 47 Cb 0.29 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.96 0.85 -0.03 1.53 7.99 -1.22 -3.49 117.00 121.67 1l6t n LEU 48 Ca 0.16 0.34 -0.01 0.00 -0.01 0.00 0.00 56.01 56.49 1l6t n LEU 48 Cb 0.08 -0.65 0.26 0.00 -0.11 0.00 0.00 43.42 42.99 1l6t n LEU 48 CO 0.12 -0.46 0.92 0.17 -1.51 0.00 0.00 177.39 176.63 1l6t h LEU 49 N -0.46 0.56 0.00 2.23 -0.00 -1.52 -2.60 115.31 113.52 1l6t h LEU 49 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1l6t h LEU 49 Cb 0.30 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1l6t h LEU 49 CO 0.00 0.63 0.00 -1.14 -0.00 0.00 0.00 178.44 177.93 1l6t n ARG 50 N -4.26 0.00 -0.31 0.17 0.63 -0.32 -0.98 116.66 111.59 1l6t n ARG 50 Ca 0.02 0.44 0.24 0.00 -0.92 0.00 0.00 57.85 57.63 1l6t n ARG 50 Cb 0.26 -1.42 0.45 0.00 0.45 0.00 0.00 32.46 32.20 1l6t n ARG 50 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1l6t n THR 51 N -1.81 -0.40 0.38 5.15 -1.04 -1.22 0.60 114.28 115.92 1l6t n THR 51 Ca 0.00 2.00 -0.18 0.00 -2.04 0.00 0.00 64.05 63.83 1l6t n THR 51 Cb 0.00 -3.11 -0.09 0.00 -1.82 0.00 0.00 70.33 65.31 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 -0.90 -0.98 -2.82 4.20 -1.31 -2.51 115.11 110.78 1l6t h GLN 52 Ca 0.72 0.06 0.31 0.00 0.06 0.00 0.00 58.65 59.80 1l6t h GLN 52 Cb 1.77 0.21 -0.15 0.00 0.30 0.00 0.00 27.48 29.60 1l6t h GLN 52 CO -0.80 -0.60 0.50 0.35 -0.67 0.00 0.00 178.83 177.61 1l6t h PHE 53 N -0.94 0.81 0.79 2.96 3.57 0.20 0.32 116.94 124.64 1l6t h PHE 53 Ca -0.09 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1l6t h PHE 53 Cb 0.72 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1l6t h PHE 53 CO -0.03 -0.20 -0.48 0.35 -2.23 0.00 0.00 178.31 175.71 1l6t h PHE 54 N 0.28 -1.27 -0.44 0.41 3.57 -0.94 0.44 116.94 118.99 1l6t h PHE 54 Ca 0.71 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.27 1l6t h PHE 54 Cb 1.60 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 40.77 1l6t h PHE 54 CO -0.06 -0.72 0.30 0.82 -2.23 0.00 0.00 178.31 176.42 1l6t h ILE 55 N -1.18 0.91 -0.03 1.41 2.04 -0.74 0.33 117.51 120.25 1l6t h ILE 55 Ca -0.11 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 1l6t h ILE 55 Cb 0.94 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1l6t h ILE 55 CO 0.11 0.05 -0.49 0.58 0.00 0.00 0.00 178.15 178.40 1l6t h VAL 56 N 0.27 1.35 -0.05 1.67 2.07 0.17 -2.71 116.25 119.02 1l6t h VAL 56 Ca 0.20 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 1l6t h VAL 56 Cb 0.44 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1l6t h VAL 56 CO -0.04 0.49 0.02 -0.03 0.02 0.00 0.00 177.57 178.03 1l6t h MET 57 N 0.07 0.08 0.67 1.57 -1.53 0.39 0.33 114.93 116.52 1l6t h MET 57 Ca 0.00 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.22 1l6t h MET 57 Cb 0.89 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.93 1l6t h MET 57 CO 0.07 0.20 -0.37 0.78 0.14 0.00 0.00 176.91 177.73 1l6t h GLY 58 N -0.06 -1.03 0.60 1.39 0.00 -1.38 -0.24 103.07 102.35 1l6t h GLY 58 Ca 0.02 0.41 0.07 0.00 0.00 0.00 0.00 47.33 47.82 1l6t h GLY 58 CO -0.00 -0.37 0.29 0.17 0.00 0.00 0.00 176.54 176.63 1l6t h LEU 59 N -0.97 0.39 -1.21 3.11 8.10 -1.49 0.53 115.31 123.77 1l6t h LEU 59 Ca -0.09 0.04 0.15 0.00 0.11 0.00 0.00 57.88 58.09 1l6t h LEU 59 Cb 0.77 -0.02 -0.08 0.00 -0.44 0.00 0.00 40.66 40.89 1l6t h LEU 59 CO 0.11 0.25 0.59 0.58 -4.11 0.00 0.00 178.44 175.87 1l6t h VAL 60 N 0.54 0.83 0.00 0.15 2.07 -0.06 0.83 116.25 120.60 1l6t h VAL 60 Ca 0.28 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1l6t h VAL 60 Cb 0.23 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1l6t h VAL 60 CO -0.21 0.14 -0.19 0.78 0.02 0.00 0.00 177.57 178.11 1l6t h ASN 61 N 0.75 0.00 0.37 0.57 -0.26 0.95 -2.98 115.58 114.98 1l6t h ASN 61 Ca 0.47 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.20 1l6t h ASN 61 Cb 0.71 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 1l6t h ASN 61 CO -0.23 0.01 -0.17 0.00 -1.06 0.00 0.00 177.43 175.97 1l6t n ALA 62 N -2.02 2.88 0.07 -0.83 0.00 0.25 -2.62 120.51 118.24 1l6t n ALA 62 Ca 0.04 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.08 1l6t n ALA 62 Cb 0.50 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 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 0.67 0.65 -0.05 0.00 2.04 -0.43 -2.19 117.51 118.21 1l6t h ILE 63 Ca 0.00 -1.05 -0.25 0.00 1.00 0.00 0.00 64.86 64.56 1l6t h ILE 63 Cb 0.42 1.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1l6t h ILE 63 CO 0.00 0.17 -0.94 1.55 0.00 0.00 0.00 178.15 178.93 1l6t h PRO 64 N -0.93 0.68 -0.97 2.37 0.13 -1.71 -0.66 132.00 130.90 1l6t h PRO 64 Ca -0.03 -0.67 0.03 0.00 -0.87 0.00 0.00 66.00 64.47 1l6t h PRO 64 Cb 0.48 0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.73 1l6t h PRO 64 CO 0.04 1.26 0.64 1.98 -0.23 0.00 0.00 178.00 181.69 1l6t h MET 65 N 0.41 1.21 0.00 0.86 4.05 -1.64 0.45 114.93 120.28 1l6t h MET 65 Ca -0.10 -0.07 -0.18 0.00 -0.28 0.00 0.00 59.70 59.07 1l6t h MET 65 Cb 1.58 -0.27 -0.03 0.00 -0.80 0.00 0.00 31.60 32.08 1l6t h MET 65 CO 0.18 0.80 -0.87 0.82 0.23 0.00 0.00 176.91 178.07 1l6t h ILE 66 N 1.25 1.37 0.00 1.77 2.04 -1.41 0.16 117.51 122.68 1l6t h ILE 66 Ca 0.38 -2.96 0.00 0.00 1.00 0.00 0.00 64.86 63.28 1l6t h ILE 66 Cb -0.04 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1l6t h ILE 66 CO -0.11 0.78 0.00 0.00 0.00 0.00 0.00 178.15 178.82 1l6t n ALA 67 N -2.32 -0.24 0.14 1.87 0.00 -0.26 -2.27 120.51 117.43 1l6t n ALA 67 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1l6t n ALA 67 Cb 0.87 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.79 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 1.12 -0.47 0.00 2.07 -0.31 -2.21 116.25 116.44 1l6t h VAL 68 Ca 0.00 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.12 1l6t h VAL 68 Cb 0.00 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1l6t h VAL 68 CO 0.00 0.16 0.06 1.23 0.02 0.00 0.00 177.57 179.03 1l6t h GLY 69 N 0.52 0.54 0.52 2.17 0.00 -1.03 0.15 103.07 105.94 1l6t h GLY 69 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1l6t h GLY 69 CO 0.01 -0.09 -0.25 1.41 0.00 0.00 0.00 176.54 177.62 1l6t h LEU 70 N 0.18 -0.58 -0.99 3.11 3.38 -1.00 -0.85 115.31 118.57 1l6t h LEU 70 Ca 0.24 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.50 1l6t h LEU 70 Cb 0.33 0.15 -0.18 0.00 0.09 0.00 0.00 40.66 41.05 1l6t h LEU 70 CO -0.34 -0.17 0.07 0.61 0.09 0.00 0.00 178.44 178.70 1l6t n GLY 71 N 0.00 -1.29 0.31 0.83 0.00 -0.88 -0.31 105.19 103.85 1l6t n GLY 71 Ca -0.09 0.95 -0.13 0.00 0.00 0.00 0.00 46.02 46.76 1l6t n GLY 71 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1l6t h LEU 72 N 0.00 -0.61 -0.99 0.99 3.38 -0.71 -2.34 115.31 115.04 1l6t h LEU 72 Ca 0.62 -0.04 0.33 0.00 0.09 0.00 0.00 57.88 58.89 1l6t h LEU 72 Cb 1.33 0.16 -0.18 0.00 0.09 0.00 0.00 40.66 42.06 1l6t h LEU 72 CO -0.91 -0.21 0.27 0.22 0.09 0.00 0.00 178.44 177.90 1l6t h TYR 73 N -1.10 0.37 0.55 1.13 3.20 0.82 0.17 116.97 122.11 1l6t h TYR 73 Ca -0.07 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1l6t h TYR 73 Cb 0.61 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.88 1l6t h TYR 73 CO 0.01 -0.42 -0.27 0.28 -1.64 0.00 0.00 178.16 176.12 1l6t h VAL 74 N 0.03 0.00 -0.92 1.81 2.07 -0.61 0.42 116.25 119.06 1l6t h VAL 74 Ca 0.70 -0.09 0.22 0.00 0.82 0.00 0.00 66.70 68.35 1l6t h VAL 74 Cb 1.65 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.25 1l6t h VAL 74 CO -0.83 0.00 -0.08 -0.03 0.02 0.00 0.00 177.57 176.65 1l6t h MET 75 N -0.83 0.03 -0.23 1.57 1.85 -0.31 1.12 114.93 118.13 1l6t h MET 75 Ca -0.08 -0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 58.90 1l6t h MET 75 Cb 0.57 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.58 1l6t h MET 75 CO 0.12 0.02 -0.34 0.35 -0.40 0.00 0.00 176.91 176.66 1l6t h PHE 76 N 0.03 0.56 0.16 1.39 3.04 -0.70 0.38 116.94 121.80 1l6t h PHE 76 Ca 0.50 -0.14 -0.01 0.00 3.98 0.00 0.00 57.97 62.30 1l6t h PHE 76 Cb 0.91 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.29 1l6t h PHE 76 CO -0.57 0.77 -0.08 0.00 -2.02 0.00 0.00 178.31 176.42 1l6t h ALA 77 N 1.22 -0.96 -0.42 2.41 0.00 0.58 -3.05 119.26 119.04 1l6t h ALA 77 Ca 0.05 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1l6t h ALA 77 Cb 0.80 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1l6t h ALA 77 CO 0.06 -0.95 0.28 -0.39 0.00 0.00 0.00 179.25 178.26 1l6t h VAL 78 N -0.23 1.05 0.00 0.00 -1.51 -0.83 -3.51 116.25 111.22 1l6t h VAL 78 Ca -0.02 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1l6t h VAL 78 Cb 0.17 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 29.86 1l6t h VAL 78 CO 0.04 0.09 0.00 0.00 -1.23 0.00 0.00 177.57 176.46