#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 0.92 -0.97 0.03 1.02 -1.26 -4.45 120.64 115.93 1l6t n GLU 2 Ca 0.00 -0.88 -0.06 0.00 -0.02 0.00 0.00 57.16 56.20 1l6t n GLU 2 Cb 0.00 -0.67 -0.05 0.00 -0.02 0.00 0.00 31.44 30.69 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 -0.19 -0.86 0.12 1.62 3.02 -1.26 -4.82 115.26 112.90 1l6t n ASN 3 Ca 0.00 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 1l6t n ASN 3 Cb 0.44 0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 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 -0.04 -0.70 0.00 3.41 -0.00 -1.26 -4.84 117.00 113.58 1l6t n LEU 4 Ca -0.23 0.43 -0.21 0.00 -0.00 0.00 0.00 56.01 56.00 1l6t n LEU 4 Cb 0.64 0.82 -0.14 0.00 -0.00 0.00 0.00 43.42 44.74 1l6t n LEU 4 CO -0.12 -0.57 -0.27 -1.13 -0.00 0.00 0.00 177.39 175.30 1l6t h ASN 5 N 0.00 0.35 0.21 1.96 -1.24 -1.94 -3.14 115.58 111.78 1l6t h ASN 5 Ca 0.00 -0.86 0.00 0.00 0.71 0.00 0.00 56.30 56.15 1l6t h ASN 5 Cb 0.00 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 1l6t h ASN 5 CO 0.00 1.52 -0.38 0.24 -1.29 0.00 0.00 177.43 177.52 1l6t h MET 6 N -0.42 -0.61 -0.69 6.67 2.86 -1.89 0.20 114.93 121.05 1l6t h MET 6 Ca -0.25 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.57 1l6t h MET 6 Cb 1.65 0.14 -0.10 0.00 0.06 0.00 0.00 31.60 33.35 1l6t h MET 6 CO 0.05 -0.41 0.16 0.22 1.06 0.00 0.00 176.91 178.00 1l6t h ASP 7 N -0.64 0.02 0.00 1.22 3.58 -1.88 0.11 116.42 118.84 1l6t h ASP 7 Ca -0.02 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1l6t h ASP 7 Cb 0.59 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1l6t h ASP 7 CO -0.14 -0.01 0.00 -0.11 -2.88 0.00 0.00 179.24 176.10 1l6t n LEU 8 N -5.14 0.00 -0.36 2.28 7.94 -0.83 -0.53 117.00 120.37 1l6t n LEU 8 Ca 0.12 0.93 0.01 0.00 -1.11 0.00 0.00 56.01 55.97 1l6t n LEU 8 Cb 0.40 -0.43 0.08 0.00 0.53 0.00 0.00 43.42 43.99 1l6t n LEU 8 CO 0.15 -0.43 0.62 0.25 -1.11 0.00 0.00 177.39 176.86 1l6t h LEU 9 N 0.00 -1.20 -0.41 -1.96 6.46 -0.21 0.24 115.31 118.23 1l6t h LEU 9 Ca 0.00 0.30 0.06 0.00 -0.12 0.00 0.00 57.88 58.12 1l6t h LEU 9 Cb 0.00 0.68 -0.09 0.00 -0.73 0.00 0.00 40.66 40.52 1l6t h LEU 9 CO 0.00 -0.30 -0.48 0.22 -0.62 0.00 0.00 178.44 177.25 1l6t h TYR 10 N -0.01 -1.44 -0.89 1.25 3.20 -0.35 0.19 116.97 118.90 1l6t h TYR 10 Ca 0.39 0.07 0.22 0.00 3.14 0.00 0.00 58.73 62.55 1l6t h TYR 10 Cb 0.64 0.69 -0.16 0.00 1.54 0.00 0.00 36.73 39.43 1l6t h TYR 10 CO -0.81 -0.47 -0.02 1.98 -1.64 0.00 0.00 178.16 177.21 1l6t h MET 11 N -0.36 0.05 -0.25 1.82 4.05 0.21 0.66 114.93 121.10 1l6t h MET 11 Ca 0.11 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.57 1l6t h MET 11 Cb 0.59 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 1l6t h MET 11 CO -0.59 0.03 -0.00 0.00 0.23 0.00 0.00 176.91 176.58 1l6t h ALA 12 N 1.87 0.22 -0.76 0.39 0.00 -0.55 0.44 119.26 120.87 1l6t h ALA 12 Ca 0.50 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1l6t h ALA 12 Cb 0.95 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1l6t h ALA 12 CO -0.83 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.00 1l6t n ALA 13 N -2.39 -0.36 -0.22 0.00 0.00 0.20 -0.49 120.51 117.25 1l6t n ALA 13 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 1l6t n ALA 13 Cb 0.13 0.01 -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 -1.64 -0.33 -0.37 0.00 0.00 0.49 0.26 120.51 118.90 1l6t n ALA 14 Ca 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 53.44 53.87 1l6t n ALA 14 Cb 0.00 0.17 0.04 0.00 0.00 0.00 0.00 19.45 19.66 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 0.01 -0.45 0.00 2.07 -0.16 0.72 116.25 118.45 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 0.21 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 29.92 1l6t h VAL 15 CO -0.49 0.00 -0.05 -0.03 0.02 0.00 0.00 177.57 177.02 1l6t h MET 16 N -0.01 0.06 -0.35 1.57 -1.53 0.25 -1.49 114.93 113.43 1l6t h MET 16 Ca 0.35 -0.00 0.06 0.00 -3.44 0.00 0.00 59.70 56.66 1l6t h MET 16 Cb 0.60 -0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.58 1l6t h MET 16 CO -0.97 0.04 0.04 0.52 0.14 0.00 0.00 176.91 176.67 1l6t h MET 17 N 0.06 0.14 -0.96 0.39 2.07 0.34 -0.89 114.93 116.08 1l6t h MET 17 Ca 0.22 -0.01 0.20 0.00 -2.07 0.00 0.00 59.70 58.05 1l6t h MET 17 Cb 0.33 -0.03 -0.08 0.00 -1.87 0.00 0.00 31.60 29.95 1l6t h MET 17 CO -0.41 0.09 0.62 0.78 1.07 0.00 0.00 176.91 179.06 1l6t h GLY 18 N 0.14 1.25 0.03 8.32 0.00 0.12 0.11 103.07 113.05 1l6t h GLY 18 Ca 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1l6t h GLY 18 CO -0.25 -0.04 -0.01 1.41 0.00 0.00 0.00 176.54 177.65 1l6t h LEU 19 N 0.55 -0.03 -0.70 3.11 3.38 -0.60 0.18 115.31 121.20 1l6t h LEU 19 Ca 0.53 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.59 1l6t h LEU 19 Cb 1.10 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 1l6t h LEU 19 CO -0.26 -0.02 -0.49 0.00 0.09 0.00 0.00 178.44 177.76 1l6t h ALA 20 N -1.98 -0.40 -0.24 1.53 0.00 -1.06 0.28 119.26 117.39 1l6t h ALA 20 Ca -0.00 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1l6t h ALA 20 Cb 0.03 1.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1l6t h ALA 20 CO 0.01 -0.87 -0.43 0.00 0.00 0.00 0.00 179.25 177.95 1l6t h ALA 21 N 0.58 -0.72 -0.89 0.00 0.00 -0.82 0.19 119.26 117.59 1l6t h ALA 21 Ca 0.18 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.31 1l6t h ALA 21 Cb 0.54 0.99 -0.15 0.00 0.00 0.00 0.00 17.79 19.17 1l6t h ALA 21 CO -0.77 -0.91 0.14 0.82 0.00 0.00 0.00 179.25 178.52 1l6t h ILE 22 N -0.37 0.23 -0.04 0.00 2.04 0.11 0.39 117.51 119.87 1l6t h ILE 22 Ca 0.04 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1l6t h ILE 22 Cb 0.49 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1l6t h ILE 22 CO -0.42 0.02 -0.13 1.23 0.00 0.00 0.00 178.15 178.85 1l6t h GLY 23 N 0.12 -1.48 0.68 5.37 0.00 0.25 0.42 103.07 108.44 1l6t h GLY 23 Ca 0.54 0.69 -0.02 0.00 0.00 0.00 0.00 47.33 48.54 1l6t h GLY 23 CO -0.74 -0.51 -0.47 -1.80 0.00 0.00 0.00 176.54 173.02 1l6t h ASP 24 N -0.14 -1.24 -1.63 0.19 1.82 -0.43 0.39 116.42 115.38 1l6t h ASP 24 Ca 0.01 0.09 0.47 0.00 -0.39 0.00 0.00 57.03 57.21 1l6t h ASP 24 Cb 0.16 0.39 -0.07 0.00 0.68 0.00 0.00 39.33 40.50 1l6t h ASP 24 CO -0.11 -0.68 1.29 0.00 -1.61 0.00 0.00 179.24 178.13 1l6t h ALA 25 N -0.89 3.54 0.00 -0.78 0.00 -0.12 1.36 119.26 122.37 1l6t h ALA 25 Ca -0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1l6t h ALA 25 Cb 0.88 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1l6t h ALA 25 CO 0.02 -2.13 -0.00 0.82 0.00 0.00 0.00 179.25 177.96 1l6t h ILE 26 N 0.00 1.59 -0.78 0.00 2.04 0.18 -2.79 117.51 117.75 1l6t h ILE 26 Ca 0.78 -2.12 0.25 0.00 1.00 0.00 0.00 64.86 64.77 1l6t h ILE 26 Cb 3.34 2.97 -0.14 0.00 -0.74 0.00 0.00 36.82 42.25 1l6t h ILE 26 CO -0.01 0.53 0.14 0.61 0.00 0.00 0.00 178.15 179.42 1l6t n GLY 27 N 1.50 -0.91 0.07 5.37 0.00 0.46 0.11 105.19 111.80 1l6t n GLY 27 Ca -0.09 0.72 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 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 1.51 -0.66 -0.61 5.03 -1.58 -2.28 117.51 118.93 1l6t h ILE 28 Ca 0.53 -1.80 0.12 0.00 -0.12 0.00 0.00 64.86 63.59 1l6t h ILE 28 Cb 1.22 2.69 -0.12 0.00 -3.03 0.00 0.00 36.82 37.58 1l6t h ILE 28 CO -0.69 0.45 -0.29 1.23 -0.68 0.00 0.00 178.15 178.17 1l6t h GLY 29 N -0.82 0.11 1.81 5.37 0.00 0.11 0.80 103.07 110.45 1l6t h GLY 29 Ca -0.00 0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.63 1l6t h GLY 29 CO 0.00 -0.23 -0.23 -2.22 0.00 0.00 0.00 176.54 173.86 1l6t h ILE 30 N -0.10 1.23 -0.46 2.60 5.03 -0.28 -2.58 117.51 122.95 1l6t h ILE 30 Ca 0.28 -1.06 0.03 0.00 -0.12 0.00 0.00 64.86 63.99 1l6t h ILE 30 Cb 0.55 1.39 -0.03 0.00 -3.03 0.00 0.00 36.82 35.69 1l6t h ILE 30 CO -0.72 0.32 0.26 0.25 -0.68 0.00 0.00 178.15 177.58 1l6t h LEU 31 N 0.21 0.41 -1.06 1.44 6.46 0.11 -0.38 115.31 122.49 1l6t h LEU 31 Ca 0.04 0.01 0.21 0.00 -0.12 0.00 0.00 57.88 58.01 1l6t h LEU 31 Cb 0.54 -0.07 -0.11 0.00 -0.73 0.00 0.00 40.66 40.29 1l6t h LEU 31 CO 0.04 0.29 0.61 1.23 -0.62 0.00 0.00 178.44 179.99 1l6t h GLY 32 N 0.52 1.72 0.88 3.75 0.00 -0.33 0.41 103.07 110.02 1l6t h GLY 32 Ca 0.19 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 1l6t h GLY 32 CO -0.10 -0.10 -0.51 -1.33 0.00 0.00 0.00 176.54 174.49 1l6t h GLY 33 N 0.69 0.57 1.84 4.60 0.00 -1.30 -2.38 103.07 107.09 1l6t h GLY 33 Ca 0.59 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1l6t h GLY 33 CO -0.38 0.73 0.00 1.17 0.00 0.00 0.00 176.54 178.06 1l6t n LYS 34 N -4.23 0.08 -0.05 4.80 4.81 -0.18 -1.94 118.16 121.46 1l6t n LYS 34 Ca -0.08 0.22 -0.11 0.00 -0.87 0.00 0.00 58.31 57.47 1l6t n LYS 34 Cb 0.61 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 34.01 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 -1.42 0.68 0.18 5.64 7.35 0.13 -3.88 117.46 126.14 1l6t n PHE 35 Ca 0.05 0.23 -0.15 0.00 -0.76 0.00 0.00 57.45 56.82 1l6t n PHE 35 Cb 0.14 -1.12 -0.07 0.00 0.35 0.00 0.00 39.48 38.78 1l6t n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1l6t h LEU 36 N 0.01 -0.96 -0.73 -2.13 3.38 -0.87 0.77 115.31 114.78 1l6t h LEU 36 Ca -0.39 0.09 0.11 0.00 0.09 0.00 0.00 57.88 57.78 1l6t h LEU 36 Cb 2.08 0.34 -0.08 0.00 0.09 0.00 0.00 40.66 43.09 1l6t h LEU 36 CO 0.06 -0.46 0.34 -0.08 0.09 0.00 0.00 178.44 178.38 1l6t h GLU 37 N -0.66 0.53 -0.13 1.13 4.57 -1.75 1.40 114.58 119.66 1l6t h GLU 37 Ca -0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1l6t h GLU 37 Cb 0.63 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1l6t h GLU 37 CO -0.12 0.35 0.05 0.78 -1.18 0.00 0.00 179.01 178.90 1l6t h GLY 38 N 0.55 0.21 1.22 1.92 0.00 -1.47 -1.70 103.07 103.80 1l6t h GLY 38 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1l6t h GLY 38 CO -0.32 0.11 0.00 0.00 0.00 0.00 0.00 176.54 176.33 1l6t n ALA 39 N -2.22 2.52 0.33 3.60 0.00 0.26 -2.97 120.51 122.03 1l6t n ALA 39 Ca -0.05 -0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.32 1l6t n ALA 39 Cb 0.12 -1.47 0.44 0.00 0.00 0.00 0.00 19.45 18.54 1l6t n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6t n ALA 40 N -1.11 1.47 1.00 0.00 0.00 0.47 -0.62 120.51 121.72 1l6t n ALA 40 Ca 0.19 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.82 1l6t n ALA 40 Cb 0.15 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.34 1l6t n ALA 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1l6t n ARG 41 N -2.06 1.82 -3.86 0.00 1.74 -1.16 -4.78 116.66 108.36 1l6t n ARG 41 Ca 0.01 -1.50 -0.35 0.00 -0.77 0.00 0.00 57.85 55.24 1l6t n ARG 41 Cb 0.16 -1.47 -0.13 0.00 -1.02 0.00 0.00 32.46 30.00 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 -2.21 1.99 0.00 5.56 -1.52 0.21 -4.93 119.66 118.76 1l6t s GLN 42 Ca 0.24 -1.70 0.24 0.00 -1.95 0.00 0.00 55.36 52.18 1l6t s GLN 42 Cb 0.19 -3.41 1.43 0.00 -0.22 0.00 0.00 33.01 30.99 1l6t s GLN 42 CO 0.42 -0.94 1.80 -0.35 -0.25 0.00 0.00 175.29 175.97 1l6t n PRO 43 N 4.53 0.74 -0.02 2.91 -0.04 -1.26 -1.92 135.00 139.94 1l6t n PRO 43 Ca -0.04 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.46 1l6t n PRO 43 Cb 0.42 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.01 2.10 -0.05 3.54 8.00 -1.26 -4.50 116.55 123.36 1l6t n ASP 44 Ca 0.18 -2.34 0.01 0.00 0.71 0.00 0.00 54.79 53.35 1l6t n ASP 44 Cb 0.09 -0.13 0.01 0.00 -0.02 0.00 0.00 41.12 41.06 1l6t n ASP 44 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1l6t n LEU 45 N -0.79 0.75 -0.02 0.64 4.77 -0.81 -4.74 117.00 116.80 1l6t n LEU 45 Ca 0.05 -0.89 -0.11 0.00 -0.03 0.00 0.00 56.01 55.03 1l6t n LEU 45 Cb 0.37 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 1l6t n LEU 45 CO 0.00 0.22 0.38 0.40 -1.33 0.00 0.00 177.39 177.06 1l6t h ILE 46 N 2.30 1.22 0.00 -0.08 1.08 -1.75 -0.67 117.51 119.62 1l6t h ILE 46 Ca 0.00 -1.63 0.00 0.00 -0.39 0.00 0.00 64.86 62.84 1l6t h ILE 46 Cb 0.89 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 36.82 1l6t h ILE 46 CO 0.00 0.37 0.00 -0.81 -0.69 0.00 0.00 178.15 177.02 1l6t n PRO 47 N -4.76 0.54 -0.04 2.37 -0.04 -1.26 -1.59 135.00 130.20 1l6t n PRO 47 Ca -0.08 0.04 -0.04 0.00 -0.04 0.00 0.00 63.50 63.38 1l6t n PRO 47 Cb 0.32 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.14 1.00 0.20 1.53 4.77 -1.21 -3.26 117.00 118.88 1l6t n LEU 48 Ca 0.14 0.25 0.16 0.00 -0.03 0.00 0.00 56.01 56.53 1l6t n LEU 48 Cb 0.13 -0.64 0.80 0.00 -2.33 0.00 0.00 43.42 41.38 1l6t n LEU 48 CO 0.15 -0.41 1.14 0.17 -1.33 0.00 0.00 177.39 177.12 1l6t h LEU 49 N -0.53 0.00 0.09 2.23 -0.00 -1.19 -0.65 115.31 115.27 1l6t h LEU 49 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1l6t h LEU 49 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1l6t h LEU 49 CO 0.00 0.00 -0.04 -0.09 -0.00 0.00 0.00 178.44 178.31 1l6t h ARG 50 N 0.00 -0.12 -0.98 0.17 2.43 -1.48 -0.91 114.38 113.49 1l6t h ARG 50 Ca 0.09 0.01 0.31 0.00 -0.81 0.00 0.00 59.98 59.58 1l6t h ARG 50 Cb 0.44 0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 29.87 1l6t h ARG 50 CO -0.00 -0.08 0.47 1.15 -1.51 0.00 0.00 179.97 180.00 1l6t h THR 51 N -0.37 0.25 0.01 0.20 2.02 -1.48 0.39 112.91 113.93 1l6t h THR 51 Ca -0.01 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1l6t h THR 51 Cb 0.09 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1l6t h THR 51 CO 0.02 0.04 -0.01 1.56 0.37 0.00 0.00 175.52 177.51 1l6t h GLN 52 N 0.25 -0.01 -0.79 6.66 4.20 -1.22 -2.81 115.11 121.38 1l6t h GLN 52 Ca 0.70 0.00 0.16 0.00 0.06 0.00 0.00 58.65 59.58 1l6t h GLN 52 Cb 1.61 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 29.29 1l6t h GLN 52 CO -0.65 0.37 0.32 0.35 -0.67 0.00 0.00 178.83 178.55 1l6t h PHE 53 N -0.40 0.54 0.26 2.96 3.57 0.11 0.43 116.94 124.42 1l6t h PHE 53 Ca -0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1l6t h PHE 53 Cb 0.39 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1l6t h PHE 53 CO 0.06 0.04 -0.24 0.35 -2.23 0.00 0.00 178.31 176.29 1l6t h PHE 54 N 0.44 -0.63 -0.02 0.41 3.57 -0.87 0.44 116.94 120.28 1l6t h PHE 54 Ca 0.45 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.93 1l6t h PHE 54 Cb 0.73 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1l6t h PHE 54 CO -0.16 -0.35 -0.10 0.82 -2.23 0.00 0.00 178.31 176.28 1l6t h ILE 55 N -0.52 1.09 -0.26 1.41 2.04 -1.03 -0.96 117.51 119.29 1l6t h ILE 55 Ca -0.01 -0.41 -0.14 0.00 1.00 0.00 0.00 64.86 65.30 1l6t h ILE 55 Cb 0.48 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1l6t h ILE 55 CO -0.04 0.12 -0.43 0.58 0.00 0.00 0.00 178.15 178.38 1l6t h VAL 56 N 0.03 1.30 -0.25 1.67 2.07 0.85 -2.44 116.25 119.49 1l6t h VAL 56 Ca 0.01 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 65.92 1l6t h VAL 56 Cb 0.21 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1l6t h VAL 56 CO 0.01 0.51 0.14 0.24 0.02 0.00 0.00 177.57 178.50 1l6t h MET 57 N 0.52 0.28 0.62 1.57 2.86 0.12 0.15 114.93 121.05 1l6t h MET 57 Ca 0.04 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1l6t h MET 57 Cb 0.96 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.56 1l6t h MET 57 CO 0.09 0.19 -0.30 0.78 1.06 0.00 0.00 176.91 178.73 1l6t h GLY 58 N 0.29 -0.87 -0.26 8.32 0.00 -1.41 -0.35 103.07 108.79 1l6t h GLY 58 Ca 0.10 0.32 0.21 0.00 0.00 0.00 0.00 47.33 47.96 1l6t h GLY 58 CO -0.05 -0.32 0.26 0.17 0.00 0.00 0.00 176.54 176.61 1l6t h LEU 59 N -0.89 0.10 -0.42 3.11 8.10 -1.44 0.61 115.31 124.48 1l6t h LEU 59 Ca -0.09 0.17 0.05 0.00 0.11 0.00 0.00 57.88 58.12 1l6t h LEU 59 Cb 0.64 0.21 -0.05 0.00 -0.44 0.00 0.00 40.66 41.02 1l6t h LEU 59 CO 0.14 -0.07 0.15 0.58 -4.11 0.00 0.00 178.44 175.12 1l6t h VAL 60 N 0.28 0.87 0.00 0.15 2.07 -0.55 0.52 116.25 119.60 1l6t h VAL 60 Ca 0.51 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.93 1l6t h VAL 60 Cb 0.97 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1l6t h VAL 60 CO -0.58 0.06 0.00 0.59 0.02 0.00 0.00 177.57 177.66 1l6t n ASN 61 N -5.01 0.00 0.03 0.57 5.03 0.17 -2.09 115.26 113.96 1l6t n ASN 61 Ca 0.03 -0.38 -0.01 0.00 0.87 0.00 0.00 54.58 55.08 1l6t n ASN 61 Cb 0.15 -0.15 -0.09 0.00 -1.02 0.00 0.00 39.78 38.68 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 -1.15 1.89 0.20 5.41 0.00 0.17 -2.42 120.51 124.62 1l6t n ALA 62 Ca 0.14 -0.57 -0.15 0.00 0.00 0.00 0.00 53.44 52.87 1l6t n ALA 62 Cb 0.13 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 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 0.00 0.49 -0.02 0.00 2.04 -0.66 0.35 117.51 119.72 1l6t h ILE 63 Ca -0.18 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1l6t h ILE 63 Cb 1.63 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1l6t h ILE 63 CO 0.05 0.00 -0.27 1.55 0.00 0.00 0.00 178.15 179.48 1l6t h PRO 64 N -0.56 0.21 -0.97 2.37 0.13 -1.72 -0.41 132.00 131.05 1l6t h PRO 64 Ca -0.03 -0.20 0.17 0.00 -0.87 0.00 0.00 66.00 65.07 1l6t h PRO 64 Cb 0.49 0.05 -0.09 0.00 0.13 0.00 0.00 31.00 31.58 1l6t h PRO 64 CO -0.00 0.91 0.61 1.98 -0.23 0.00 0.00 178.00 181.27 1l6t h MET 65 N -0.41 0.71 0.00 0.86 1.85 -1.47 0.41 114.93 116.87 1l6t h MET 65 Ca -0.03 -0.04 -0.18 0.00 -0.61 0.00 0.00 59.70 58.83 1l6t h MET 65 Cb 0.99 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 32.83 1l6t h MET 65 CO 0.05 0.47 -1.01 0.82 -0.40 0.00 0.00 176.91 176.84 1l6t h ILE 66 N 0.73 1.16 0.44 1.77 2.04 -0.33 -2.47 117.51 120.85 1l6t h ILE 66 Ca 0.52 -2.76 -0.02 0.00 1.00 0.00 0.00 64.86 63.60 1l6t h ILE 66 Cb 0.84 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 1l6t h ILE 66 CO -0.28 0.66 -0.21 0.00 0.00 0.00 0.00 178.15 178.32 1l6t h ALA 67 N 1.21 -0.88 0.61 1.87 0.00 0.12 -2.13 119.26 120.06 1l6t h ALA 67 Ca -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1l6t h ALA 67 Cb 1.66 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1l6t h ALA 67 CO 0.09 -0.84 -0.45 0.28 0.00 0.00 0.00 179.25 178.34 1l6t h VAL 68 N -0.75 0.10 -0.91 0.00 2.07 -0.52 -1.78 116.25 114.47 1l6t h VAL 68 Ca -0.06 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.81 1l6t h VAL 68 Cb 0.45 0.10 -0.16 0.00 -1.52 0.00 0.00 31.29 30.16 1l6t h VAL 68 CO 0.10 0.00 0.38 0.61 0.02 0.00 0.00 177.57 178.68 1l6t n GLY 69 N -1.56 -0.81 0.11 2.17 0.00 -0.93 0.15 105.19 104.32 1l6t n GLY 69 Ca -0.13 0.77 -0.13 0.00 0.00 0.00 0.00 46.02 46.53 1l6t n GLY 69 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1l6t h LEU 70 N 0.00 -0.14 0.19 0.99 3.38 -0.66 0.40 115.31 119.47 1l6t h LEU 70 Ca 0.72 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.45 1l6t h LEU 70 Cb 1.82 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 1l6t h LEU 70 CO -0.74 0.18 -0.25 1.23 0.09 0.00 0.00 178.44 178.96 1l6t h GLY 71 N -0.47 -0.52 0.99 0.83 0.00 0.22 0.19 103.07 104.31 1l6t h GLY 71 Ca -0.02 0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.61 1l6t h GLY 71 CO 0.03 -0.22 0.54 0.17 0.00 0.00 0.00 176.54 177.05 1l6t h LEU 72 N -0.50 0.93 -0.84 3.11 8.10 -0.19 -1.89 115.31 124.03 1l6t h LEU 72 Ca 0.01 -0.02 0.05 0.00 0.11 0.00 0.00 57.88 58.03 1l6t h LEU 72 Cb 0.49 -0.23 -0.06 0.00 -0.44 0.00 0.00 40.66 40.42 1l6t h LEU 72 CO -0.09 0.67 0.53 0.22 -4.11 0.00 0.00 178.44 175.66 1l6t h TYR 73 N 1.10 0.99 -0.52 0.17 3.20 0.40 -1.39 116.97 120.91 1l6t h TYR 73 Ca 0.30 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.24 1l6t h TYR 73 Cb -0.11 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 37.80 1l6t h TYR 73 CO -0.02 0.53 0.28 0.28 -1.64 0.00 0.00 178.16 177.59 1l6t h VAL 74 N 0.99 1.00 0.04 1.81 2.07 0.16 0.58 116.25 122.89 1l6t h VAL 74 Ca 0.36 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.70 1l6t h VAL 74 Cb 0.11 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1l6t h VAL 74 CO -0.15 0.10 -0.09 -0.03 0.02 0.00 0.00 177.57 177.42 1l6t h MET 75 N 0.55 -0.17 -0.16 1.57 1.85 -0.89 -2.10 114.93 115.60 1l6t h MET 75 Ca 0.22 0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.26 1l6t h MET 75 Cb 0.09 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.15 1l6t h MET 75 CO -0.13 -0.11 -0.17 0.35 -0.40 0.00 0.00 176.91 176.44 1l6t h PHE 76 N -0.17 0.28 0.47 1.39 3.04 -0.85 0.13 116.94 121.23 1l6t h PHE 76 Ca 0.02 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1l6t h PHE 76 Cb 0.19 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.61 1l6t h PHE 76 CO -0.14 0.43 -0.43 0.00 -2.02 0.00 0.00 178.31 176.16 1l6t h ALA 77 N 1.58 -1.12 0.00 2.41 0.00 0.80 -1.40 119.26 121.53 1l6t h ALA 77 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1l6t h ALA 77 Cb 0.46 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1l6t h ALA 77 CO 0.03 -1.13 0.00 -0.24 0.00 0.00 0.00 179.25 177.91 1l6t h VAL 78 N -0.88 0.00 0.00 0.00 3.04 -1.33 -3.51 116.25 113.57 1l6t h VAL 78 Ca -0.06 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1l6t h VAL 78 Cb 0.76 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1l6t h VAL 78 CO -0.03 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.53