#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s ARG 8 N 0.00 1.70 -0.25 5.31 1.70 -0.10 -4.99 118.95 122.32 3i55 s ARG 8 Ca 0.00 -1.11 -0.03 0.00 -0.47 0.00 0.00 55.73 54.12 3i55 s ARG 8 Cb 0.00 0.55 0.02 0.00 -0.57 0.00 0.00 34.95 34.95 3i55 s ARG 8 CO 0.00 -0.75 -0.04 0.08 -1.08 0.00 0.00 175.30 173.51 3i55 s VAL 9 N -3.93 3.08 0.11 4.99 1.01 -1.26 -1.07 120.40 123.33 3i55 s VAL 9 Ca 0.16 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3i55 s VAL 9 Cb -0.04 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3i55 s VAL 9 CO 0.08 0.21 -0.04 -0.69 0.00 0.00 0.00 175.10 174.66 3i55 s VAL 10 N 1.37 3.72 -0.36 2.92 1.01 -0.64 -4.94 120.40 123.47 3i55 s VAL 10 Ca 0.01 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 60.71 3i55 s VAL 10 Cb -0.16 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.46 3i55 s VAL 10 CO -0.03 0.08 0.21 -0.89 0.00 0.00 0.00 175.10 174.46 3i55 s THR 11 N -1.34 4.70 -0.31 3.92 2.01 -1.26 -0.84 115.64 122.52 3i55 s THR 11 Ca 0.24 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 3i55 s THR 11 Cb -0.11 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 3i55 s THR 11 CO 0.17 -0.16 0.41 -0.63 -0.69 0.00 0.00 174.62 173.72 3i55 s ILE 12 N 1.59 5.13 0.16 1.82 -1.09 -0.03 -4.91 121.20 123.87 3i55 s ILE 12 Ca 0.03 0.37 -0.24 0.00 -2.23 0.00 0.00 60.65 58.58 3i55 s ILE 12 Cb -0.18 -3.80 -0.08 0.00 -1.58 0.00 0.00 42.46 36.81 3i55 s ILE 12 CO 0.07 -0.01 0.75 -2.16 -1.23 0.00 0.00 174.94 172.36 3i55 s PRO 13 N 2.14 4.50 -0.20 2.79 0.04 -1.26 -1.74 135.00 141.26 3i55 s PRO 13 Ca 0.15 1.08 0.11 0.00 0.04 0.00 0.00 61.00 62.39 3i55 s PRO 13 Cb -0.16 -3.23 0.42 0.00 0.04 0.00 0.00 34.50 31.57 3i55 s PRO 13 CO 0.11 0.57 1.22 1.28 0.04 0.00 0.00 177.00 180.22 3i55 n LEU 14 N 1.55 2.67 0.00 -3.56 4.77 0.16 -4.75 117.00 117.84 3i55 n LEU 14 Ca -0.06 -3.85 0.07 0.00 -0.03 0.00 0.00 56.01 52.13 3i55 n LEU 14 Cb 0.49 -0.52 0.39 0.00 -2.33 0.00 0.00 43.42 41.45 3i55 n LEU 14 CO 0.45 1.38 0.62 -2.11 -1.33 0.00 0.00 177.39 176.40 3i55 n ARG 15 N -1.09 0.60 -0.00 3.23 1.85 -1.25 -2.04 116.66 117.95 3i55 n ARG 15 Ca 0.19 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 57.14 3i55 n ARG 15 Cb 0.70 -1.34 -0.13 0.00 -1.05 0.00 0.00 32.46 30.63 3i55 n ARG 15 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3i55 n ASP 16 N -0.84 0.67 0.00 2.89 9.92 -1.26 -3.97 116.55 123.96 3i55 n ASP 16 Ca 0.10 -0.63 0.07 0.00 -0.53 0.00 0.00 54.79 53.80 3i55 n ASP 16 Cb 0.04 1.35 0.41 0.00 -0.64 0.00 0.00 41.12 42.28 3i55 n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i55 n ALA 17 N -1.76 2.13 0.55 2.24 0.00 -0.87 -1.34 120.51 121.47 3i55 n ALA 17 Ca 0.01 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.49 3i55 n ALA 17 Cb 0.40 -1.22 0.18 0.00 0.00 0.00 0.00 19.45 18.81 3i55 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i55 h ARG 18 N 0.00 0.00 0.00 0.00 3.08 -1.77 -3.22 114.38 112.47 3i55 h ARG 18 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3i55 h ARG 18 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i55 h ARG 18 CO 0.00 0.00 -0.11 0.00 -1.07 0.00 0.00 179.97 178.79 3i55 h ALA 19 N 2.48 0.97 -2.58 0.04 0.00 -1.49 -3.44 119.26 115.24 3i55 h ALA 19 Ca 0.00 -0.10 -0.56 0.00 0.00 0.00 0.00 54.91 54.25 3i55 h ALA 19 Cb 0.76 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3i55 h ALA 19 CO 0.00 0.14 -0.13 -2.00 0.00 0.00 0.00 179.25 177.26 3i55 s GLU 20 N -3.43 3.86 0.18 0.00 2.56 -1.22 -5.01 118.70 115.64 3i55 s GLU 20 Ca 0.03 0.33 -0.33 0.00 0.00 0.00 0.00 54.97 55.00 3i55 s GLU 20 Cb 0.08 -2.82 -0.14 0.00 2.00 0.00 0.00 34.13 33.24 3i55 s GLU 20 CO 0.63 0.42 1.41 -0.35 -0.56 0.00 0.00 175.26 176.82 3i55 n PRO 21 N 0.41 1.81 -0.06 4.30 -0.04 -1.26 -4.74 135.00 135.42 3i55 n PRO 21 Ca -0.03 0.65 0.25 0.00 -0.04 0.00 0.00 63.50 64.33 3i55 n PRO 21 Cb 0.52 -2.31 0.65 0.00 -0.04 0.00 0.00 33.50 32.32 3i55 n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3i55 h ASN 22 N 4.64 0.00 -0.13 3.54 2.35 -1.89 0.07 115.58 124.16 3i55 h ASN 22 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3i55 h ASN 22 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3i55 h ASN 22 CO 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.57 3i55 n HIS 23 N -3.59 0.24 -1.36 1.19 1.44 -1.26 -3.39 115.22 108.49 3i55 n HIS 23 Ca 0.15 -0.11 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 3i55 n HIS 23 Cb 1.00 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 31.06 3i55 n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3i55 n LYS 24 N -0.03 0.00 -0.36 -1.40 5.02 0.01 -4.79 118.16 116.61 3i55 n LYS 24 Ca 0.05 -0.51 0.10 0.00 -2.02 0.00 0.00 58.31 55.93 3i55 n LYS 24 Cb 0.20 -0.41 0.28 0.00 -0.02 0.00 0.00 35.03 35.08 3i55 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i55 h ARG 25 N 0.00 0.84 0.03 1.97 3.08 -1.36 -2.89 114.38 116.05 3i55 h ARG 25 Ca 0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.01 3i55 h ARG 25 Cb 1.08 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.89 3i55 h ARG 25 CO 0.00 0.56 -0.44 0.00 -1.07 0.00 0.00 179.97 179.01 3i55 h ALA 26 N 1.60 -0.89 -0.46 0.04 0.00 -0.92 -0.60 119.26 118.02 3i55 h ALA 26 Ca 0.54 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.44 3i55 h ALA 26 Cb 0.71 0.86 -0.09 0.00 0.00 0.00 0.00 17.79 19.27 3i55 h ALA 26 CO -0.33 -1.02 -0.47 -0.44 0.00 0.00 0.00 179.25 176.99 3i55 h ASP 27 N -0.58 -1.58 -0.92 0.00 3.32 -1.78 -0.71 116.42 114.16 3i55 h ASP 27 Ca 0.00 0.23 0.13 0.00 0.02 0.00 0.00 57.03 57.42 3i55 h ASP 27 Cb 0.61 0.68 -0.09 0.00 0.22 0.00 0.00 39.33 40.76 3i55 h ASP 27 CO -0.28 -0.37 0.54 0.50 -1.72 0.00 0.00 179.24 177.92 3i55 h LYS 28 N -0.32 0.81 -0.04 3.56 1.63 -1.47 -1.48 116.57 119.26 3i55 h LYS 28 Ca 0.13 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.91 3i55 h LYS 28 Cb 0.58 -0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 31.97 3i55 h LYS 28 CO -0.62 0.54 -0.46 0.00 -3.45 0.00 0.00 179.45 175.46 3i55 h ALA 29 N 1.53 -0.75 -0.69 5.00 0.00 0.41 -1.11 119.26 123.65 3i55 h ALA 29 Ca 0.47 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.46 3i55 h ALA 29 Cb 0.53 0.84 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 3i55 h ALA 29 CO -0.29 -1.00 -0.24 1.98 0.00 0.00 0.00 179.25 179.69 3i55 h MET 30 N -0.59 -0.06 0.24 0.00 1.85 -0.73 -0.65 114.93 114.99 3i55 h MET 30 Ca 0.04 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 3i55 h MET 30 Cb 0.67 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.68 3i55 h MET 30 CO -0.36 -0.04 -0.51 0.82 -0.40 0.00 0.00 176.91 176.43 3i55 h ILE 31 N -0.06 0.00 -0.93 1.77 2.04 -1.01 -2.11 117.51 117.21 3i55 h ILE 31 Ca 0.31 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.49 3i55 h ILE 31 Cb 0.54 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.45 3i55 h ILE 31 CO -0.74 0.00 0.27 0.18 0.00 0.00 0.00 178.15 177.86 3i55 n LEU 32 N -5.38 0.12 0.19 1.44 4.77 -0.31 -0.79 117.00 117.03 3i55 n LEU 32 Ca -0.09 1.56 -0.07 0.00 -0.03 0.00 0.00 56.01 57.37 3i55 n LEU 32 Cb 0.41 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 3i55 n LEU 32 CO 0.18 -1.66 0.47 0.40 -1.33 0.00 0.00 177.39 175.45 3i55 h ILE 33 N 0.00 0.00 -0.92 -0.08 2.04 -0.80 0.21 117.51 117.96 3i55 h ILE 33 Ca 0.68 -0.04 0.27 0.00 1.00 0.00 0.00 64.86 66.77 3i55 h ILE 33 Cb 1.64 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3i55 h ILE 33 CO -0.79 0.00 0.78 -0.09 0.00 0.00 0.00 178.15 178.05 3i55 h ARG 34 N -0.52 0.00 0.00 2.37 2.43 -0.87 0.32 114.38 118.11 3i55 h ARG 34 Ca -0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3i55 h ARG 34 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3i55 h ARG 34 CO 0.08 0.00 -0.00 0.93 -1.51 0.00 0.00 179.97 179.47 3i55 h GLU 35 N 0.00 -0.01 -0.27 0.20 5.08 -0.70 -2.71 114.58 116.18 3i55 h GLU 35 Ca 0.44 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.86 3i55 h GLU 35 Cb 1.99 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.18 3i55 h GLU 35 CO -0.00 0.83 -0.14 1.25 -1.00 0.00 0.00 179.01 179.94 3i55 h HIS 36 N -0.86 -0.34 0.95 4.33 2.76 0.28 -2.04 115.15 120.23 3i55 h HIS 36 Ca -0.00 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 3i55 h HIS 36 Cb 0.83 0.19 0.01 0.00 1.55 0.00 0.00 27.41 29.99 3i55 h HIS 36 CO 0.22 -0.21 -0.47 -0.07 -1.30 0.00 0.00 177.93 176.10 3i55 h LEU 37 N -0.11 -1.14 -1.41 0.26 3.38 -1.14 -1.45 115.31 113.70 3i55 h LEU 37 Ca 0.14 0.04 0.42 0.00 0.09 0.00 0.00 57.88 58.58 3i55 h LEU 37 Cb 0.32 0.30 -0.12 0.00 0.09 0.00 0.00 40.66 41.25 3i55 h LEU 37 CO -0.34 -0.79 0.84 0.00 0.09 0.00 0.00 178.44 178.24 3i55 h ALA 38 N -1.25 2.69 0.21 1.53 0.00 -1.32 0.17 119.26 121.28 3i55 h ALA 38 Ca -0.13 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3i55 h ALA 38 Cb 1.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3i55 h ALA 38 CO 0.20 -1.30 -0.10 -0.22 0.00 0.00 0.00 179.25 177.83 3i55 h LYS 39 N 0.11 -0.27 0.00 0.00 3.64 -0.90 0.19 116.57 119.35 3i55 h LYS 39 Ca 0.80 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.20 3i55 h LYS 39 Cb 2.48 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 34.36 3i55 h LYS 39 CO -0.40 0.03 0.00 0.45 -2.27 0.00 0.00 179.45 177.25 3i55 h HIS 40 N -0.99 0.00 -0.37 1.91 3.86 -0.15 -2.59 115.15 116.82 3i55 h HIS 40 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3i55 h HIS 40 Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 3i55 h HIS 40 CO 0.05 0.00 0.00 1.19 0.86 0.00 0.00 177.93 180.03 3i55 n PHE 41 N -2.62 0.56 -3.69 2.45 3.01 0.46 -5.00 117.46 112.63 3i55 n PHE 41 Ca 0.01 -0.54 -0.25 0.00 1.01 0.00 0.00 57.45 57.68 3i55 n PHE 41 Cb 0.23 -0.06 0.01 0.00 -0.01 0.00 0.00 39.48 39.65 3i55 n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3i55 n SER 42 N 0.48 -5.36 -3.91 4.37 7.64 -0.98 -5.00 113.62 110.88 3i55 n SER 42 Ca 0.14 -0.87 -0.10 0.00 1.01 0.00 0.00 58.87 59.05 3i55 n SER 42 Cb 0.49 -2.59 -0.06 0.00 -1.01 0.00 0.00 64.21 61.04 3i55 n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i55 s VAL 43 N -3.14 0.05 0.17 0.44 1.01 0.04 -5.03 120.40 113.93 3i55 s VAL 43 Ca 0.15 -1.23 -0.27 0.00 0.00 0.00 0.00 61.98 60.63 3i55 s VAL 43 Cb -0.07 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 3i55 s VAL 43 CO 0.88 -0.23 0.84 -1.81 0.00 0.00 0.00 175.10 174.77 3i55 s ASP 44 N -2.95 7.45 0.63 3.32 1.01 -1.26 -4.42 116.67 120.46 3i55 s ASP 44 Ca 0.15 1.72 0.36 0.00 0.71 0.00 0.00 52.55 55.50 3i55 s ASP 44 Cb 0.02 -2.53 1.95 0.00 1.01 0.00 0.00 42.92 43.36 3i55 s ASP 44 CO -0.00 0.15 2.09 -0.33 0.21 0.00 0.00 175.17 177.30 3i55 h GLU 45 N 4.51 0.00 0.00 8.23 5.08 -1.90 1.13 114.58 131.64 3i55 h GLU 45 Ca -0.46 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 3i55 h GLU 45 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3i55 h GLU 45 CO 0.68 0.00 -0.24 -0.44 -1.00 0.00 0.00 179.01 178.00 3i55 h ASP 46 N 0.00 0.00 0.47 1.42 3.32 -1.93 -3.14 116.42 116.56 3i55 h ASP 46 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i55 h ASP 46 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3i55 h ASP 46 CO 0.00 0.24 -0.74 0.00 -1.72 0.00 0.00 179.24 177.02 3i55 n ALA 47 N -2.16 3.56 -2.68 3.45 0.00 0.39 -4.88 120.51 118.19 3i55 n ALA 47 Ca 0.03 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 3i55 n ALA 47 Cb 0.62 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 3i55 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i55 s VAL 48 N -3.09 4.77 -0.24 0.00 1.01 -0.88 -3.03 120.40 118.95 3i55 s VAL 48 Ca 0.08 2.00 -0.00 0.00 0.00 0.00 0.00 61.98 64.06 3i55 s VAL 48 Cb 0.16 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 32.29 3i55 s VAL 48 CO 0.75 0.09 -0.09 -0.60 0.00 0.00 0.00 175.10 175.25 3i55 s ARG 49 N 1.45 2.70 -0.07 2.72 3.52 -0.40 -4.98 118.95 123.90 3i55 s ARG 49 Ca 0.51 -1.05 -0.17 0.00 -0.13 0.00 0.00 55.73 54.89 3i55 s ARG 49 Cb -0.21 -2.90 -0.05 0.00 -1.56 0.00 0.00 34.95 30.24 3i55 s ARG 49 CO 0.24 -0.42 0.46 -0.51 -0.81 0.00 0.00 175.30 174.26 3i55 s LEU 50 N 1.26 4.35 0.07 -0.88 1.43 -1.26 -1.65 118.68 122.00 3i55 s LEU 50 Ca -0.01 0.88 -0.25 0.00 -1.03 0.00 0.00 54.13 53.71 3i55 s LEU 50 Cb -0.17 -2.67 -0.06 0.00 0.03 0.00 0.00 46.19 43.32 3i55 s LEU 50 CO -0.06 0.11 0.79 -0.62 0.23 0.00 0.00 176.35 176.80 3i55 s ASP 51 N 0.04 7.27 0.25 2.29 -1.08 0.15 -4.93 116.67 120.67 3i55 s ASP 51 Ca 0.25 1.52 0.14 0.00 -0.52 0.00 0.00 52.55 53.94 3i55 s ASP 51 Cb -0.16 -2.48 0.91 0.00 -1.46 0.00 0.00 42.92 39.73 3i55 s ASP 51 CO 0.11 0.04 1.07 -2.65 0.52 0.00 0.00 175.17 174.27 3i55 n PRO 52 N 2.59 -0.04 -0.35 4.34 -0.02 -1.26 0.58 135.00 140.83 3i55 n PRO 52 Ca -0.03 0.93 0.03 0.00 -2.02 0.00 0.00 63.50 62.42 3i55 n PRO 52 Cb 0.50 -1.68 0.10 0.00 -0.02 0.00 0.00 33.50 32.40 3i55 n PRO 52 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i55 h SER 53 N 0.00 -1.09 -0.57 2.55 4.64 -1.93 1.79 113.55 118.94 3i55 h SER 53 Ca 0.57 0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 62.17 3i55 h SER 53 Cb 1.51 0.65 -0.03 0.00 -0.31 0.00 0.00 62.40 64.22 3i55 h SER 53 CO -0.52 -0.31 0.32 0.40 -0.87 0.00 0.00 176.83 175.85 3i55 h ILE 54 N -0.01 1.18 0.41 0.95 2.04 -0.21 0.33 117.51 122.20 3i55 h ILE 54 Ca 0.42 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3i55 h ILE 54 Cb 0.66 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3i55 h ILE 54 CO -0.98 0.21 -0.20 -1.13 0.00 0.00 0.00 178.15 176.05 3i55 h ASN 55 N 0.83 -0.47 -0.87 1.72 -1.24 0.24 -2.69 115.58 113.10 3i55 h ASN 55 Ca 0.21 -0.12 0.10 0.00 0.71 0.00 0.00 56.30 57.20 3i55 h ASN 55 Cb 0.03 0.12 -0.06 0.00 0.73 0.00 0.00 38.32 39.14 3i55 h ASN 55 CO -0.03 -0.08 0.56 -0.33 -1.29 0.00 0.00 177.43 176.26 3i55 h GLU 56 N -0.93 0.82 -0.46 6.67 3.07 0.22 -1.38 114.58 122.60 3i55 h GLU 56 Ca -0.06 -0.05 0.08 0.00 -0.50 0.00 0.00 59.36 58.83 3i55 h GLU 56 Cb 0.56 -0.19 -0.07 0.00 -0.84 0.00 0.00 28.75 28.21 3i55 h GLU 56 CO 0.09 0.55 0.06 0.00 -1.40 0.00 0.00 179.01 178.30 3i55 h ALA 57 N 1.56 0.48 0.01 3.43 0.00 -0.83 -0.00 119.26 123.91 3i55 h ALA 57 Ca 0.40 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 3i55 h ALA 57 Cb 0.41 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i55 h ALA 57 CO -0.17 -0.34 -0.00 0.00 0.00 0.00 0.00 179.25 178.74 3i55 h ALA 58 N 1.38 -0.01 0.00 0.00 0.00 -1.00 -3.21 119.26 116.41 3i55 h ALA 58 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i55 h ALA 58 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i55 h ALA 58 CO -0.33 -0.19 0.00 0.91 0.00 0.00 0.00 179.25 179.64 3i55 n TRP 59 N -4.80 0.00 -0.24 0.00 7.02 -0.60 -4.19 117.44 114.63 3i55 n TRP 59 Ca -0.09 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.34 3i55 n TRP 59 Cb 0.31 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.20 3i55 n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3i55 h ALA 60 N 3.19 -0.08 -0.73 6.99 0.00 -1.00 -1.90 119.26 125.74 3i55 h ALA 60 Ca 0.00 0.17 -0.36 0.00 0.00 0.00 0.00 54.91 54.72 3i55 h ALA 60 Cb 0.00 0.88 -0.21 0.00 0.00 0.00 0.00 17.79 18.46 3i55 h ALA 60 CO 0.00 -0.71 0.45 0.54 0.00 0.00 0.00 179.25 179.53 3i55 n ARG 61 N -5.43 2.14 0.00 0.00 1.74 -1.26 -5.03 116.66 108.81 3i55 n ARG 61 Ca 0.05 -2.29 0.00 0.00 -0.77 0.00 0.00 57.85 54.83 3i55 n ARG 61 Cb 0.36 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 3i55 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i55 n GLY 62 N -0.63 -1.07 0.18 -0.13 0.00 -0.71 -4.13 105.19 98.70 3i55 n GLY 62 Ca 0.43 -2.01 0.07 0.00 0.00 0.00 0.00 46.02 44.52 3i55 n GLY 62 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i55 n ARG 63 N 0.00 2.01 -0.00 1.61 0.63 -1.26 -4.48 116.66 115.16 3i55 n ARG 63 Ca 0.00 -0.41 0.04 0.00 -0.92 0.00 0.00 57.85 56.56 3i55 n ARG 63 Cb 0.00 -1.21 -0.07 0.00 0.45 0.00 0.00 32.46 31.64 3i55 n ARG 63 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i55 n ALA 64 N -0.70 2.43 -3.52 5.13 0.00 -1.25 -0.22 120.51 122.38 3i55 n ALA 64 Ca 0.05 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 3i55 n ALA 64 Cb 0.27 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.36 3i55 n ALA 64 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3i55 s ASN 65 N -2.87 6.00 -0.19 0.00 0.01 -1.26 -4.79 114.94 111.84 3i55 s ASN 65 Ca -0.02 -2.80 -0.06 0.00 -0.71 0.00 0.00 52.86 49.26 3i55 s ASN 65 Cb 0.06 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.65 3i55 s ASN 65 CO 0.37 -0.46 0.03 -0.89 -1.51 0.00 0.00 177.10 174.64 3i55 s THR 66 N 0.01 4.40 0.22 1.60 2.01 -1.26 -4.20 115.64 118.42 3i55 s THR 66 Ca 0.18 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 3i55 s THR 66 Cb -0.15 -2.98 -0.15 0.00 0.01 0.00 0.00 72.50 69.22 3i55 s THR 66 CO -0.06 0.45 0.99 -0.81 -0.69 0.00 0.00 174.62 174.49 3i55 n PRO 67 N 3.83 1.00 0.29 4.92 -0.04 -1.26 -4.83 135.00 138.91 3i55 n PRO 67 Ca -0.17 0.35 0.15 0.00 -0.04 0.00 0.00 63.50 63.80 3i55 n PRO 67 Cb 0.52 -1.72 0.89 0.00 -0.04 0.00 0.00 33.50 33.15 3i55 n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i55 h SER 68 N 2.40 0.00 -2.99 3.54 4.64 -1.95 -3.42 113.55 115.77 3i55 h SER 68 Ca -0.39 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.77 3i55 h SER 68 Cb 1.36 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 3i55 h SER 68 CO 0.64 0.03 -0.15 0.29 -0.87 0.00 0.00 176.83 176.78 3i55 n LYS 69 N -3.73 0.34 -3.27 4.77 5.02 -1.26 0.41 118.16 120.44 3i55 n LYS 69 Ca -0.03 -1.05 0.04 0.00 -2.02 0.00 0.00 58.31 55.25 3i55 n LYS 69 Cb 0.13 0.77 -0.04 0.00 -0.02 0.00 0.00 35.03 35.86 3i55 n LYS 69 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3i55 s ILE 70 N -2.30 -0.00 0.05 -0.18 2.07 -0.71 -4.84 121.20 115.29 3i55 s ILE 70 Ca 0.11 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.09 3i55 s ILE 70 Cb 0.01 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 3i55 s ILE 70 CO 0.08 0.00 0.79 -0.13 -1.91 0.00 0.00 174.94 173.76 3i55 s ARG 71 N 1.76 4.52 -0.04 3.50 0.52 -1.26 -0.85 118.95 127.10 3i55 s ARG 71 Ca -0.01 1.11 -0.02 0.00 -0.52 0.00 0.00 55.73 56.29 3i55 s ARG 71 Cb -0.00 -3.37 0.03 0.00 0.52 0.00 0.00 34.95 32.13 3i55 s ARG 71 CO -0.14 0.27 0.09 0.54 0.02 0.00 0.00 175.30 176.08 3i55 s VAL 72 N -0.04 -0.04 -0.23 3.52 0.11 -0.02 -3.97 120.40 119.73 3i55 s VAL 72 Ca 0.40 0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 59.40 3i55 s VAL 72 Cb -0.21 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 3i55 s VAL 72 CO 0.24 0.06 0.53 -0.60 -3.33 0.00 0.00 175.10 172.00 3i55 s ARG 73 N 0.83 4.13 0.07 1.54 3.52 0.36 -1.62 118.95 127.78 3i55 s ARG 73 Ca -0.07 0.39 0.09 0.00 -0.13 0.00 0.00 55.73 56.02 3i55 s ARG 73 Cb -0.09 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 3i55 s ARG 73 CO -0.03 -0.26 -0.24 0.00 -0.81 0.00 0.00 175.30 173.95 3i55 s ALA 74 N 2.02 2.38 -0.04 6.12 0.00 -0.23 -1.90 121.76 130.10 3i55 s ALA 74 Ca 0.23 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.94 3i55 s ALA 74 Cb -0.15 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 3i55 s ALA 74 CO 0.09 0.55 -0.20 0.00 0.00 0.00 0.00 175.76 176.20 3i55 s ALA 75 N -0.91 1.74 -0.06 0.00 0.00 -0.69 -0.93 121.76 120.91 3i55 s ALA 75 Ca 0.13 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.33 3i55 s ALA 75 Cb -0.10 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 3i55 s ALA 75 CO 0.04 0.34 -0.24 0.50 0.00 0.00 0.00 175.76 176.40 3i55 s ARG 76 N -0.09 2.58 0.00 0.00 3.52 -1.26 -2.30 118.95 121.40 3i55 s ARG 76 Ca -0.02 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 3i55 s ARG 76 Cb -0.12 -2.19 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 3i55 s ARG 76 CO 0.02 0.39 0.00 1.97 -0.81 0.00 0.00 175.30 176.87 3i55 n PHE 77 N 2.93 -0.02 -0.54 5.12 1.16 -0.94 -4.68 117.46 120.50 3i55 n PHE 77 Ca -0.17 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.47 3i55 n PHE 77 Cb 0.52 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.35 3i55 n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 3i55 n GLU 78 N 0.00 -1.25 -0.09 3.97 2.13 -1.26 -2.18 120.64 121.96 3i55 n GLU 78 Ca 0.00 1.02 -0.06 0.00 0.66 0.00 0.00 57.16 58.78 3i55 n GLU 78 Cb 0.00 -1.46 -0.05 0.00 0.27 0.00 0.00 31.44 30.20 3i55 n GLU 78 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 3i55 h GLU 79 N -0.53 -0.13 0.66 5.31 -0.00 -2.02 -2.98 114.58 114.88 3i55 h GLU 79 Ca -0.07 0.01 -0.03 0.00 -0.00 0.00 0.00 59.36 59.26 3i55 h GLU 79 Cb 0.52 0.03 0.01 0.00 -0.00 0.00 0.00 28.75 29.30 3i55 h GLU 79 CO 0.03 -0.09 -0.32 1.49 -0.00 0.00 0.00 179.01 180.12 3i55 h GLU 80 N -0.14 -0.85 0.00 1.06 4.81 -2.07 -3.48 114.58 113.91 3i55 h GLU 80 Ca 0.04 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3i55 h GLU 80 Cb 0.25 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3i55 h GLU 80 CO -0.31 -0.57 0.00 0.41 -0.73 0.00 0.00 179.01 177.82 3i55 n GLY 81 N -1.45 1.92 3.20 1.92 0.00 -1.13 -5.12 105.19 104.53 3i55 n GLY 81 Ca -0.13 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 3i55 n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i55 s GLU 82 N -0.42 1.04 -0.07 1.61 4.04 -0.93 -4.64 118.70 119.34 3i55 s GLU 82 Ca 0.00 -1.45 0.00 0.00 0.04 0.00 0.00 54.97 53.57 3i55 s GLU 82 Cb 0.00 0.27 0.02 0.00 0.02 0.00 0.00 34.13 34.45 3i55 s GLU 82 CO 0.00 -0.32 -0.05 0.00 -1.84 0.00 0.00 175.26 173.05 3i55 s ALA 83 N -4.06 0.91 0.20 -0.84 0.00 -1.17 -2.21 121.76 114.59 3i55 s ALA 83 Ca 0.27 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.89 3i55 s ALA 83 Cb 0.07 -0.66 -0.07 0.00 0.00 0.00 0.00 23.12 22.45 3i55 s ALA 83 CO 0.04 -0.24 0.50 0.42 0.00 0.00 0.00 175.76 176.48 3i55 s ILE 84 N 1.42 4.98 0.08 0.00 1.01 -0.97 -1.27 121.20 126.45 3i55 s ILE 84 Ca -0.02 0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.89 3i55 s ILE 84 Cb -0.13 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.73 3i55 s ILE 84 CO -0.03 -0.00 0.34 -0.69 0.00 0.00 0.00 174.94 174.55 3i55 s VAL 85 N -1.73 0.09 0.27 2.92 1.01 -0.66 -1.70 120.40 120.59 3i55 s VAL 85 Ca 0.45 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 3i55 s VAL 85 Cb -0.12 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.17 3i55 s VAL 85 CO 0.22 -0.39 0.64 -1.83 0.00 0.00 0.00 175.10 173.73 3i55 s GLU 86 N -3.28 1.70 0.00 2.72 -1.05 -0.80 -0.68 118.70 117.31 3i55 s GLU 86 Ca 0.00 -1.07 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 3i55 s GLU 86 Cb 0.01 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 3i55 s GLU 86 CO -0.08 -0.76 0.00 0.00 0.95 0.00 0.00 175.26 175.37 3i55 n ALA 87 N -0.43 0.00 -1.71 -0.84 0.00 -1.26 -0.49 120.51 115.78 3i55 n ALA 87 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i55 n ALA 87 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3i55 n ALA 87 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65