#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s ASP 2 N 0.00 4.65 0.00 3.42 -1.08 -1.26 -4.97 116.67 117.42 3i55 s ASP 2 Ca 0.00 -1.71 0.22 0.00 -0.52 0.00 0.00 52.55 50.54 3i55 s ASP 2 Cb 0.00 -1.61 0.54 0.00 -1.46 0.00 0.00 42.92 40.40 3i55 s ASP 2 CO 0.00 -0.28 1.45 0.18 0.52 0.00 0.00 175.17 177.04 3i55 n LEU 3 N 4.38 2.73 0.24 -1.34 4.77 -1.26 -4.35 117.00 122.18 3i55 n LEU 3 Ca -0.07 -1.18 0.07 0.00 -0.03 0.00 0.00 56.01 54.80 3i55 n LEU 3 Cb 0.42 -0.20 0.58 0.00 -2.33 0.00 0.00 43.42 41.89 3i55 n LEU 3 CO 0.22 0.59 0.98 0.77 -1.33 0.00 0.00 177.39 178.63 3i55 h SER 4 N 3.50 0.00 -0.35 -1.43 4.64 -1.98 0.03 113.55 117.96 3i55 h SER 4 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3i55 h SER 4 Cb 0.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 3i55 h SER 4 CO 0.00 0.10 0.18 0.00 -0.87 0.00 0.00 176.83 176.24 3i55 h ALA 5 N 1.90 0.45 -0.17 5.18 0.00 -2.01 -2.41 119.26 122.20 3i55 h ALA 5 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3i55 h ALA 5 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i55 h ALA 5 CO 0.01 -0.01 0.00 1.96 0.00 0.00 0.00 179.25 181.22 3i55 h GLN 6 N 0.44 0.29 -1.09 0.00 7.50 -1.66 -2.38 115.11 118.21 3i55 h GLN 6 Ca 0.12 -0.09 0.32 0.00 0.50 0.00 0.00 58.65 59.50 3i55 h GLN 6 Cb 0.09 -0.03 -0.04 0.00 0.05 0.00 0.00 27.48 27.55 3i55 h GLN 6 CO -0.02 0.51 0.89 0.87 -1.50 0.00 0.00 178.83 179.58 3i55 h LYS 7 N 0.04 0.00 0.12 1.46 1.79 -0.78 0.80 116.57 120.00 3i55 h LYS 7 Ca 0.05 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 3i55 h LYS 7 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 3i55 h LYS 7 CO 0.01 0.00 -0.06 -0.09 -1.08 0.00 0.00 179.45 178.23 3i55 h ARG 8 N 0.00 -0.15 -0.83 3.15 2.43 -0.93 -3.01 114.38 115.04 3i55 h ARG 8 Ca 0.52 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.68 3i55 h ARG 8 Cb 2.30 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 31.84 3i55 h ARG 8 CO -0.01 0.33 0.45 -0.07 -1.51 0.00 0.00 179.97 179.17 3i55 h LEU 9 N -0.83 1.04 -0.85 3.80 3.38 -0.07 -2.68 115.31 119.09 3i55 h LEU 9 Ca -0.02 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3i55 h LEU 9 Cb 0.56 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3i55 h LEU 9 CO 0.03 0.84 0.54 0.00 0.09 0.00 0.00 178.44 179.94 3i55 h ALA 10 N 1.24 1.14 0.00 1.53 0.00 0.26 0.07 119.26 123.51 3i55 h ALA 10 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i55 h ALA 10 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3i55 h ALA 10 CO -0.05 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3i55 n ALA 11 N -2.35 2.25 -0.09 0.00 0.00 -1.02 -0.69 120.51 118.62 3i55 n ALA 11 Ca 0.11 -0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 3i55 n ALA 11 Cb 0.12 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.14 3i55 n ALA 11 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i55 n ASP 12 N -1.08 1.91 0.43 0.00 4.64 -0.25 -2.32 116.55 119.87 3i55 n ASP 12 Ca 0.15 0.09 -0.18 0.00 -1.38 0.00 0.00 54.79 53.47 3i55 n ASP 12 Cb 0.10 -0.45 -0.09 0.00 -1.04 0.00 0.00 41.12 39.65 3i55 n ASP 12 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 3i55 h VAL 13 N -0.39 0.10 0.00 5.18 3.04 -0.98 -2.35 116.25 120.85 3i55 h VAL 13 Ca -0.46 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 3i55 h VAL 13 Cb 1.52 0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 30.92 3i55 h VAL 13 CO -0.20 0.01 -0.07 -0.07 -1.01 0.00 0.00 177.57 176.23 3i55 h LEU 14 N -1.21 0.00 -2.48 3.16 3.38 -1.14 -3.47 115.31 113.55 3i55 h LEU 14 Ca -0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3i55 h LEU 14 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3i55 h LEU 14 CO 0.18 0.07 -0.20 -0.67 0.09 0.00 0.00 178.44 177.91 3i55 n ASP 15 N -3.68 -7.58 -3.48 -0.43 -0.08 -0.89 -5.04 116.55 95.38 3i55 n ASP 15 Ca -0.02 -0.02 -0.15 0.00 -1.51 0.00 0.00 54.79 53.09 3i55 n ASP 15 Cb 0.17 -5.00 -0.04 0.00 2.34 0.00 0.00 41.12 38.59 3i55 n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3i55 s VAL 16 N -2.90 0.00 0.31 5.18 1.01 -0.98 -5.00 120.40 118.02 3i55 s VAL 16 Ca 0.05 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.74 3i55 s VAL 16 Cb -0.01 -1.00 -0.13 0.00 0.00 0.00 0.00 36.38 35.23 3i55 s VAL 16 CO 0.77 -0.01 1.15 0.61 0.00 0.00 0.00 175.10 177.62 3i55 n GLY 17 N 0.29 0.17 0.42 4.51 0.00 -1.26 -4.55 105.19 104.77 3i55 n GLY 17 Ca -0.18 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 3i55 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i55 h LYS 18 N 2.36 -0.21 -0.81 1.61 1.57 -1.88 -0.10 116.57 119.11 3i55 h LYS 18 Ca -0.43 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 58.60 3i55 h LYS 18 Cb 1.31 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.64 3i55 h LYS 18 CO 0.62 -0.14 1.07 -0.91 -0.57 0.00 0.00 179.45 179.52 3i55 h ASN 19 N -0.22 0.00 0.86 0.86 2.35 -1.94 0.18 115.58 117.67 3i55 h ASN 19 Ca 0.15 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 3i55 h ASN 19 Cb 0.55 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 3i55 h ASN 19 CO -0.73 0.00 -1.20 0.03 -1.65 0.00 0.00 177.43 173.88 3i55 h ARG 20 N 0.00 0.00 -6.95 0.81 3.08 -1.34 -3.47 114.38 106.50 3i55 h ARG 20 Ca 0.38 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.89 3i55 h ARG 20 Cb 2.53 0.00 0.12 0.00 0.08 0.00 0.00 29.97 32.69 3i55 h ARG 20 CO -0.00 0.18 0.74 1.33 -1.07 0.00 0.00 179.97 181.15 3i55 n VAL 21 N -2.83 2.31 -3.97 2.04 0.24 0.64 -1.17 118.33 115.59 3i55 n VAL 21 Ca -0.05 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.34 61.47 3i55 n VAL 21 Cb 0.72 -1.92 -0.17 0.00 -1.47 0.00 0.00 33.84 31.01 3i55 n VAL 21 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3i55 s TRP 22 N -1.15 1.58 -0.14 6.34 -0.00 0.14 -4.88 118.94 120.84 3i55 s TRP 22 Ca 0.56 -0.80 -0.07 0.00 -0.00 0.00 0.00 56.10 55.80 3i55 s TRP 22 Cb -0.47 -1.28 -0.04 0.00 -0.00 0.00 0.00 33.47 31.69 3i55 s TRP 22 CO 0.61 -0.52 0.10 -0.06 -0.00 0.00 0.00 176.95 177.08 3i55 s PHE 23 N 1.60 3.43 0.05 5.86 0.40 -1.26 -1.72 117.98 126.34 3i55 s PHE 23 Ca 0.04 0.36 -0.31 0.00 -0.60 0.00 0.00 56.93 56.42 3i55 s PHE 23 Cb -0.13 -1.97 -0.06 0.00 0.51 0.00 0.00 43.02 41.37 3i55 s PHE 23 CO -0.08 0.52 1.25 1.21 0.70 0.00 0.00 175.22 178.82 3i55 s ASN 24 N -0.53 7.01 0.00 1.36 3.84 -0.96 -4.89 114.94 120.76 3i55 s ASN 24 Ca 0.11 2.06 0.02 0.00 0.21 0.00 0.00 52.86 55.27 3i55 s ASN 24 Cb -0.12 -2.58 0.14 0.00 -0.55 0.00 0.00 41.25 38.15 3i55 s ASN 24 CO 0.02 -0.54 0.50 -2.65 -2.79 0.00 0.00 177.10 171.65 3i55 n PRO 25 N 4.19 0.11 0.00 0.43 -0.02 -1.26 -1.59 135.00 136.86 3i55 n PRO 25 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3i55 n PRO 25 Cb 0.45 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 3i55 n PRO 25 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i55 n GLU 26 N -0.84 -0.43 -0.04 -0.52 1.02 -1.26 -4.60 120.64 113.98 3i55 n GLU 26 Ca 0.02 -0.40 0.02 0.00 -0.02 0.00 0.00 57.16 56.77 3i55 n GLU 26 Cb 0.01 -0.90 0.04 0.00 -0.02 0.00 0.00 31.44 30.57 3i55 n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i55 n ARG 27 N -0.05 1.83 -0.40 3.49 1.74 -0.62 -4.72 116.66 117.93 3i55 n ARG 27 Ca 0.00 -1.36 -0.08 0.00 -0.77 0.00 0.00 57.85 55.64 3i55 n ARG 27 Cb 0.03 -1.08 -0.05 0.00 -1.02 0.00 0.00 32.46 30.34 3i55 n ARG 27 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3i55 n GLN 28 N -0.05 -0.36 -0.19 5.56 6.02 -1.19 -0.20 117.38 126.97 3i55 n GLN 28 Ca 0.03 1.47 -0.07 0.00 -0.01 0.00 0.00 57.00 58.42 3i55 n GLN 28 Cb 0.24 -2.17 -0.06 0.00 1.02 0.00 0.00 30.24 29.27 3i55 n GLN 28 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3i55 h GLY 29 N 0.00 -1.51 0.49 1.08 0.00 -1.93 1.53 103.07 102.73 3i55 h GLY 29 Ca 0.21 0.88 0.16 0.00 0.00 0.00 0.00 47.33 48.58 3i55 h GLY 29 CO -0.92 -0.37 0.57 -0.55 0.00 0.00 0.00 176.54 175.26 3i55 h ASP 30 N -0.10 0.55 1.09 0.19 3.32 -1.13 0.17 116.42 120.52 3i55 h ASP 30 Ca 0.08 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 3i55 h ASP 30 Cb 0.29 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3i55 h ASP 30 CO -0.49 0.26 -0.71 0.40 -1.72 0.00 0.00 179.24 176.99 3i55 h ILE 31 N 0.58 1.30 0.00 0.35 2.04 0.28 -2.89 117.51 119.16 3i55 h ILE 31 Ca 0.44 -2.62 -0.03 0.00 1.00 0.00 0.00 64.86 63.65 3i55 h ILE 31 Cb 0.86 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3i55 h ILE 31 CO -0.19 0.69 -0.15 0.00 0.00 0.00 0.00 178.15 178.51 3i55 h ALA 32 N 1.29 1.31 0.00 1.87 0.00 0.50 -1.44 119.26 122.79 3i55 h ALA 32 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i55 h ALA 32 Cb 1.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3i55 h ALA 32 CO 0.09 0.18 -0.78 -0.44 0.00 0.00 0.00 179.25 178.30 3i55 h ASP 33 N 0.00 0.00 -1.84 0.00 3.32 -1.23 -3.45 116.42 113.22 3i55 h ASP 33 Ca -0.00 -0.10 -0.55 0.00 0.02 0.00 0.00 57.03 56.40 3i55 h ASP 33 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3i55 h ASP 33 CO 0.02 0.05 1.54 0.00 -1.72 0.00 0.00 179.24 179.13 3i55 n ALA 34 N -2.02 1.46 -0.11 3.45 0.00 -0.55 -4.81 120.51 117.94 3i55 n ALA 34 Ca 0.02 -0.48 -0.20 0.00 0.00 0.00 0.00 53.44 52.78 3i55 n ALA 34 Cb 0.50 -3.02 -0.08 0.00 0.00 0.00 0.00 19.45 16.86 3i55 n ALA 34 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i55 n ILE 35 N 7.85 1.51 -3.56 0.00 2.08 -1.26 -4.89 119.36 121.08 3i55 n ILE 35 Ca 0.32 -0.10 -0.21 0.00 0.56 0.00 0.00 62.75 63.33 3i55 n ILE 35 Cb 0.48 -2.10 -0.01 0.00 -0.75 0.00 0.00 39.64 37.26 3i55 n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3i55 s THR 36 N -2.52 4.69 0.31 1.39 -4.23 -1.26 -4.99 115.64 109.03 3i55 s THR 36 Ca -0.31 -0.82 0.07 0.00 -1.18 0.00 0.00 61.69 59.46 3i55 s THR 36 Cb 0.08 -3.67 0.30 0.00 1.34 0.00 0.00 72.50 70.55 3i55 s THR 36 CO 0.46 -0.32 1.74 0.03 -0.54 0.00 0.00 174.62 175.99 3i55 h ARG 37 N 0.89 0.58 0.23 3.99 3.08 -1.98 0.31 114.38 121.49 3i55 h ARG 37 Ca -0.49 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3i55 h ARG 37 Cb 1.24 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 3i55 h ARG 37 CO 0.58 0.38 -0.21 1.49 -1.07 0.00 0.00 179.97 181.15 3i55 h GLU 38 N 0.60 -0.45 -0.90 0.04 4.57 -2.00 -0.90 114.58 115.55 3i55 h GLU 38 Ca 0.61 0.03 0.23 0.00 -1.18 0.00 0.00 59.36 59.04 3i55 h GLU 38 Cb 1.09 0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 29.65 3i55 h GLU 38 CO -0.46 -0.30 0.37 -0.44 -1.18 0.00 0.00 179.01 177.00 3i55 h ASP 39 N -0.46 0.27 -0.32 1.04 3.32 -1.34 0.19 116.42 119.11 3i55 h ASP 39 Ca -0.01 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3i55 h ASP 39 Cb 0.43 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3i55 h ASP 39 CO -0.04 -0.04 0.12 0.58 -1.72 0.00 0.00 179.24 178.14 3i55 h VAL 40 N 0.35 1.19 -0.43 -1.35 2.07 -0.75 -1.31 116.25 116.02 3i55 h VAL 40 Ca 0.57 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3i55 h VAL 40 Cb 1.11 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3i55 h VAL 40 CO -0.56 0.20 0.12 0.03 0.02 0.00 0.00 177.57 177.38 3i55 h ARG 41 N 0.37 0.26 -0.88 1.57 3.08 0.30 0.28 114.38 119.36 3i55 h ARG 41 Ca 0.11 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.17 3i55 h ARG 41 Cb 0.20 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 3i55 h ARG 41 CO -0.01 0.17 0.58 1.49 -1.07 0.00 0.00 179.97 181.14 3i55 h GLU 42 N 0.27 1.10 0.00 0.04 4.81 -1.01 0.53 114.58 120.32 3i55 h GLU 42 Ca 0.21 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3i55 h GLU 42 Cb 0.23 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3i55 h GLU 42 CO -0.24 0.72 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.48 3i55 h LEU 43 N 1.13 0.00 0.02 1.64 3.38 -0.02 0.65 115.31 122.11 3i55 h LEU 43 Ca 0.34 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 3i55 h LEU 43 Cb -0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i55 h LEU 43 CO -0.10 0.21 -0.52 0.58 0.09 0.00 0.00 178.44 178.71 3i55 h VAL 44 N 0.00 1.49 -0.27 1.22 2.07 0.18 -0.16 116.25 120.77 3i55 h VAL 44 Ca -0.00 -2.14 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 3i55 h VAL 44 Cb 0.84 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 3i55 h VAL 44 CO 0.03 0.61 0.04 0.44 0.02 0.00 0.00 177.57 178.70 3i55 h ASP 45 N -0.29 0.36 0.99 0.57 3.32 0.17 0.30 116.42 121.83 3i55 h ASP 45 Ca -0.07 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3i55 h ASP 45 Cb 1.28 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3i55 h ASP 45 CO 0.10 0.39 0.00 -0.33 -1.72 0.00 0.00 179.24 177.69 3i55 h GLU 46 N 0.39 0.00 0.00 3.56 5.08 -0.85 -3.46 114.58 119.30 3i55 h GLU 46 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3i55 h GLU 46 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3i55 h GLU 46 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3i55 n GLY 47 N 0.18 0.66 0.20 -3.84 0.00 0.10 -4.91 105.19 97.59 3i55 n GLY 47 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 3i55 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 h ALA 48 N 0.00 1.00 -3.27 4.61 0.00 -1.23 -3.41 119.26 116.95 3i55 h ALA 48 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3i55 h ALA 48 Cb 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.44 3i55 h ALA 48 CO 0.00 0.00 -0.83 0.42 0.00 0.00 0.00 179.25 178.84 3i55 s ILE 49 N -3.31 1.38 0.15 0.00 1.01 -0.94 -2.26 121.20 117.23 3i55 s ILE 49 Ca 0.06 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 3i55 s ILE 49 Cb 0.08 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 3i55 s ILE 49 CO 0.60 0.42 0.08 -1.10 0.00 0.00 0.00 174.94 174.94 3i55 s GLN 50 N 1.05 1.01 -0.20 2.79 -0.21 -0.70 -4.48 119.66 118.92 3i55 s GLN 50 Ca -0.06 -1.48 -0.02 0.00 0.02 0.00 0.00 55.36 53.82 3i55 s GLN 50 Cb -0.15 0.25 -0.00 0.00 1.00 0.00 0.00 33.01 34.12 3i55 s GLN 50 CO -0.02 -0.30 -0.10 0.00 -2.12 0.00 0.00 175.29 172.75 3i55 s ALA 51 N -4.07 2.65 0.81 6.09 0.00 -1.26 0.29 121.76 126.26 3i55 s ALA 51 Ca 0.28 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 3i55 s ALA 51 Cb 0.07 -1.50 0.05 0.00 0.00 0.00 0.00 23.12 21.74 3i55 s ALA 51 CO 0.04 -0.35 0.92 1.17 0.00 0.00 0.00 175.76 177.55 3i55 n LYS 52 N 4.64 0.14 -3.06 0.00 3.00 -0.31 -4.95 118.16 117.62 3i55 n LYS 52 Ca -0.19 0.11 -0.35 0.00 -0.00 0.00 0.00 58.31 57.88 3i55 n LYS 52 Cb 0.51 -2.21 -0.06 0.00 0.00 0.00 0.00 35.03 33.27 3i55 n LYS 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3i55 s ASP 53 N -1.95 7.04 0.38 3.14 1.01 -1.26 -4.94 116.67 120.09 3i55 s ASP 53 Ca 0.69 1.46 -0.17 0.00 0.71 0.00 0.00 52.55 55.23 3i55 s ASP 53 Cb -0.29 -2.44 -0.10 0.00 1.01 0.00 0.00 42.92 41.11 3i55 s ASP 53 CO 0.55 -0.04 0.84 -1.59 0.21 0.00 0.00 175.17 175.14 3i55 s LYS 54 N -2.21 4.08 0.94 8.23 -2.85 -1.26 -5.07 119.74 121.60 3i55 s LYS 54 Ca 0.47 0.86 -0.13 0.00 -1.00 0.00 0.00 55.97 56.17 3i55 s LYS 54 Cb -0.15 -2.30 0.21 0.00 -2.06 0.00 0.00 37.83 33.52 3i55 s LYS 54 CO 0.20 0.04 1.28 0.21 0.10 0.00 0.00 175.35 177.19 3i55 s LYS 55 N -3.18 0.61 -0.28 1.78 2.20 -1.26 -5.11 119.74 114.50 3i55 s LYS 55 Ca 0.58 -0.67 -0.21 0.00 -0.36 0.00 0.00 55.97 55.31 3i55 s LYS 55 Cb -0.10 -1.93 0.10 0.00 -1.51 0.00 0.00 37.83 34.40 3i55 s LYS 55 CO 0.17 -2.37 0.85 0.20 -0.36 0.00 0.00 175.35 173.84 3i55 s GLY 56 N -4.92 -0.34 0.16 5.54 0.00 -1.26 -5.14 107.32 101.35 3i55 s GLY 56 Ca 0.75 2.55 -0.31 0.00 0.00 0.00 0.00 44.72 47.71 3i55 s GLY 56 CO 0.52 2.13 1.46 -1.31 0.00 0.00 0.00 173.10 175.90 3i55 s ASN 57 N 0.87 6.71 -0.33 1.64 0.01 -1.26 -4.91 114.94 117.68 3i55 s ASN 57 Ca -0.04 2.49 -0.28 0.00 -0.71 0.00 0.00 52.86 54.32 3i55 s ASN 57 Cb -0.05 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.00 3i55 s ASN 57 CO -0.10 -0.72 1.82 -0.44 -1.51 0.00 0.00 177.10 176.15 3i55 s SER 58 N 0.97 5.86 -0.02 -1.22 0.01 -1.26 -4.82 113.70 113.22 3i55 s SER 58 Ca 0.65 1.32 0.01 0.00 1.31 0.00 0.00 55.95 59.24 3i55 s SER 58 Cb -0.40 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.36 3i55 s SER 58 CO 0.33 -1.73 0.70 0.54 0.41 0.00 0.00 173.24 173.49 3i55 n ARG 59 N 8.45 1.24 0.00 12.44 1.74 -1.26 -4.33 116.66 134.94 3i55 n ARG 59 Ca 0.23 -0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i55 n ARG 59 Cb 0.47 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 3i55 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i55 n GLY 60 N 0.12 -1.86 0.52 -0.13 0.00 -1.26 -1.58 105.19 100.99 3i55 n GLY 60 Ca 0.03 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.38 3i55 n GLY 60 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i55 h ARG 61 N 0.00 0.00 0.49 1.61 3.08 -2.01 -0.87 114.38 116.67 3i55 h ARG 61 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3i55 h ARG 61 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i55 h ARG 61 CO 0.00 0.00 -0.27 0.00 -1.07 0.00 0.00 179.97 178.63 3i55 h ALA 62 N 1.38 -1.15 -0.24 0.04 0.00 -1.78 -3.10 119.26 114.41 3i55 h ALA 62 Ca 0.52 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.34 3i55 h ALA 62 Cb 2.17 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 20.22 3i55 h ALA 62 CO -0.01 -1.11 -0.40 0.00 0.00 0.00 0.00 179.25 177.73 3i55 h ARG 63 N -0.70 -0.39 -0.79 0.00 3.08 -0.14 -0.42 114.38 115.02 3i55 h ARG 63 Ca -0.07 0.03 0.23 0.00 0.07 0.00 0.00 59.98 60.24 3i55 h ARG 63 Cb 0.54 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 3i55 h ARG 63 CO 0.09 -0.26 0.73 1.49 -1.07 0.00 0.00 179.97 180.95 3i55 h GLU 64 N -0.41 0.00 0.05 0.04 4.81 -1.57 0.56 114.58 118.07 3i55 h GLU 64 Ca 0.11 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.08 3i55 h GLU 64 Cb 0.59 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3i55 h GLU 64 CO -0.46 0.00 -1.30 -0.09 -0.73 0.00 0.00 179.01 176.44 3i55 h ARG 65 N 0.00 0.11 0.00 1.92 2.43 -1.01 -3.10 114.38 114.72 3i55 h ARG 65 Ca 0.38 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3i55 h ARG 65 Cb 1.83 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.44 3i55 h ARG 65 CO -0.00 0.98 0.00 1.96 -1.51 0.00 0.00 179.97 181.39 3i55 h GLN 66 N 0.03 0.00 0.00 0.20 4.20 0.72 -2.25 115.11 118.01 3i55 h GLN 66 Ca -0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3i55 h GLN 66 Cb 1.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.69 3i55 h GLN 66 CO 0.14 0.00 -0.03 0.87 -0.67 0.00 0.00 178.83 179.15 3i55 h LYS 67 N 0.00 0.00 -0.98 1.46 1.57 -1.33 -1.95 116.57 115.34 3i55 h LYS 67 Ca 0.00 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 3i55 h LYS 67 Cb 0.26 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.38 3i55 h LYS 67 CO 0.00 0.00 -0.04 1.63 -0.57 0.00 0.00 179.45 180.47 3i55 n LYS 68 N -3.21 -0.08 0.05 3.15 4.76 -1.15 0.32 118.16 122.00 3i55 n LYS 68 Ca -0.00 1.48 -0.12 0.00 -2.87 0.00 0.00 58.31 56.80 3i55 n LYS 68 Cb 0.01 -2.32 -0.01 0.00 -1.84 0.00 0.00 35.03 30.87 3i55 n LYS 68 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i55 h ARG 69 N 0.00 0.43 0.00 1.97 3.08 -1.19 1.30 114.38 119.98 3i55 h ARG 69 Ca 0.57 -0.40 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 3i55 h ARG 69 Cb 1.11 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 3i55 h ARG 69 CO -0.94 1.05 -0.30 0.00 -1.07 0.00 0.00 179.97 178.71 3i55 h ALA 70 N 0.83 1.40 -0.05 0.04 0.00 0.48 0.13 119.26 122.09 3i55 h ALA 70 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3i55 h ALA 70 Cb 1.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3i55 h ALA 70 CO 0.14 0.37 0.00 0.98 0.00 0.00 0.00 179.25 180.75 3i55 n TYR 71 N -4.02 0.06 -0.42 0.00 9.36 0.15 -4.89 117.16 117.40 3i55 n TYR 71 Ca -0.02 -0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3i55 n TYR 71 Cb 0.36 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 3i55 n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3i55 n GLY 72 N 0.99 0.75 3.98 2.98 0.00 0.03 -5.04 105.19 108.88 3i55 n GLY 72 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3i55 n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i55 s HIS 73 N -2.42 3.21 0.00 1.61 3.76 0.44 -4.47 115.29 117.43 3i55 s HIS 73 Ca 0.00 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 3i55 s HIS 73 Cb 0.00 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.77 3i55 s HIS 73 CO 0.00 0.06 0.00 1.04 -0.85 0.00 0.00 174.74 174.99 3i55 n GLN 74 N -1.63 -0.68 -1.42 1.40 6.02 -1.26 -2.69 117.38 117.11 3i55 n GLN 74 Ca -0.02 0.17 -0.32 0.00 -0.01 0.00 0.00 57.00 56.82 3i55 n GLN 74 Cb 0.58 -4.19 0.08 0.00 1.02 0.00 0.00 30.24 27.72 3i55 n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i55 n LYS 75 N -1.10 2.78 -0.57 -1.09 5.02 -1.26 -4.82 118.16 117.11 3i55 n LYS 75 Ca 0.00 -3.41 -0.31 0.00 -2.02 0.00 0.00 58.31 52.58 3i55 n LYS 75 Cb 0.17 -2.27 0.28 0.00 -0.02 0.00 0.00 35.03 33.19 3i55 n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3i55 s GLY 76 N -2.09 1.46 0.39 0.72 0.00 -1.26 -4.86 107.32 101.68 3i55 s GLY 76 Ca 0.62 -0.90 0.18 0.00 0.00 0.00 0.00 44.72 44.61 3i55 s GLY 76 CO 0.01 0.09 1.79 0.00 0.00 0.00 0.00 173.10 174.99 3i55 h ALA 77 N -3.24 1.11 -0.20 3.20 0.00 -1.96 -2.75 119.26 115.42 3i55 h ALA 77 Ca -0.43 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3i55 h ALA 77 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i55 h ALA 77 CO 0.28 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.39 3i55 n GLY 78 N -0.04 0.10 0.11 0.00 0.00 -1.26 -3.46 105.19 100.64 3i55 n GLY 78 Ca -0.01 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.72 3i55 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i55 n SER 79 N 0.16 1.13 -4.72 1.61 7.64 -1.04 -4.97 113.62 113.42 3i55 n SER 79 Ca 0.11 -1.07 -0.38 0.00 1.01 0.00 0.00 58.87 58.55 3i55 n SER 79 Cb 0.23 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.49 3i55 n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3i55 s ARG 80 N -0.38 4.35 -0.09 1.43 0.52 -1.22 -4.93 118.95 118.63 3i55 s ARG 80 Ca 0.03 0.51 0.02 0.00 -0.52 0.00 0.00 55.73 55.78 3i55 s ARG 80 Cb 0.03 -3.44 -0.07 0.00 0.52 0.00 0.00 34.95 31.99 3i55 s ARG 80 CO 0.05 0.15 -0.05 1.17 0.02 0.00 0.00 175.30 176.63 3i55 n LYS 81 N 3.67 0.96 -2.47 3.54 3.00 -1.26 -5.03 118.16 120.57 3i55 n LYS 81 Ca -0.06 0.04 -0.31 0.00 -0.00 0.00 0.00 58.31 57.98 3i55 n LYS 81 Cb 0.52 -1.20 -0.03 0.00 0.00 0.00 0.00 35.03 34.32 3i55 n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3i55 s GLY 82 N -4.66 1.95 1.26 3.14 0.00 -1.26 -5.05 107.32 102.69 3i55 s GLY 82 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 44.72 44.45 3i55 s GLY 82 CO 0.25 0.25 1.00 1.25 0.00 0.00 0.00 173.10 175.85 3i55 s LYS 83 N -4.18 -1.67 0.02 2.90 2.47 -1.26 -4.73 119.74 113.29 3i55 s LYS 83 Ca 0.56 0.46 -0.10 0.00 -1.56 0.00 0.00 55.97 55.33 3i55 s LYS 83 Cb -0.10 -1.50 -0.05 0.00 -1.46 0.00 0.00 37.83 34.72 3i55 s LYS 83 CO 0.35 -4.13 1.15 0.00 0.16 0.00 0.00 175.35 172.88 3i55 h ALA 84 N -2.90 -1.08 0.00 3.13 0.00 -1.97 -2.07 119.26 114.38 3i55 h ALA 84 Ca -0.54 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3i55 h ALA 84 Cb 1.34 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3i55 h ALA 84 CO 0.42 -1.06 0.09 0.41 0.00 0.00 0.00 179.25 179.11 3i55 n GLY 85 N -1.17 -0.62 0.08 0.00 0.00 -1.26 -0.26 105.19 101.95 3i55 n GLY 85 Ca -0.04 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 3i55 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 h ALA 86 N 1.71 0.02 -0.30 4.61 0.00 -1.80 -3.35 119.26 120.15 3i55 h ALA 86 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3i55 h ALA 86 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3i55 h ALA 86 CO 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 179.25 179.35 3i55 h ARG 87 N -0.65 0.43 -4.51 0.00 3.08 0.06 -3.42 114.38 109.37 3i55 h ARG 87 Ca -0.01 -0.06 -0.52 0.00 0.07 0.00 0.00 59.98 59.46 3i55 h ARG 87 Cb 0.84 -0.08 -0.34 0.00 0.08 0.00 0.00 29.97 30.48 3i55 h ARG 87 CO 0.02 0.41 -0.81 -1.14 -1.07 0.00 0.00 179.97 177.37 3i55 s GLN 88 N -5.71 1.69 -0.48 0.04 0.74 -0.96 -5.10 119.66 109.88 3i55 s GLN 88 Ca -0.13 -0.40 -0.29 0.00 0.05 0.00 0.00 55.36 54.59 3i55 s GLN 88 Cb 0.09 -1.44 0.03 0.00 1.10 0.00 0.00 33.01 32.79 3i55 s GLN 88 CO 0.72 -0.01 1.15 1.21 -0.55 0.00 0.00 175.29 177.81 3i55 s ASN 89 N 0.81 6.62 0.16 6.67 3.04 -1.25 -4.30 114.94 126.68 3i55 s ASN 89 Ca -0.12 0.46 -0.28 0.00 0.04 0.00 0.00 52.86 52.97 3i55 s ASN 89 Cb -0.15 -2.55 -0.00 0.00 -1.54 0.00 0.00 41.25 37.00 3i55 s ASN 89 CO 0.02 -1.27 1.56 0.77 -3.04 0.00 0.00 177.10 175.14 3i55 h SER 90 N 9.28 -1.61 0.03 -4.21 4.64 -1.96 0.93 113.55 120.65 3i55 h SER 90 Ca -0.23 0.25 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3i55 h SER 90 Cb 1.06 0.71 -0.03 0.00 -0.31 0.00 0.00 62.40 63.83 3i55 h SER 90 CO 1.13 -0.35 -0.18 0.50 -0.87 0.00 0.00 176.83 177.06 3i55 h LYS 91 N -0.26 -0.30 -0.39 4.77 3.11 -1.98 -0.63 116.57 120.89 3i55 h LYS 91 Ca 0.15 0.02 0.08 0.00 -2.81 0.00 0.00 60.65 58.10 3i55 h LYS 91 Cb 0.56 0.07 -0.08 0.00 -1.00 0.00 0.00 32.23 31.78 3i55 h LYS 91 CO -0.68 -0.20 -0.17 0.93 -2.81 0.00 0.00 179.45 176.52 3i55 h GLU 92 N -0.31 -0.09 -0.39 1.90 5.08 -1.76 -1.38 114.58 117.64 3i55 h GLU 92 Ca 0.05 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3i55 h GLU 92 Cb 0.37 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 3i55 h GLU 92 CO -0.15 -0.06 0.10 0.22 -1.00 0.00 0.00 179.01 178.12 3i55 h ASP 93 N -0.09 0.06 -0.18 1.42 3.58 -0.34 0.27 116.42 121.13 3i55 h ASP 93 Ca 0.19 0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.74 3i55 h ASP 93 Cb 0.39 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 3i55 h ASP 93 CO -0.45 0.07 -0.07 -0.25 -2.88 0.00 0.00 179.24 175.66 3i55 h TRP 94 N 0.24 -0.15 -0.74 0.28 2.91 -0.54 0.33 115.95 118.27 3i55 h TRP 94 Ca 0.18 0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.35 3i55 h TRP 94 Cb 0.20 0.09 -0.09 0.00 -0.51 0.00 0.00 29.16 28.85 3i55 h TRP 94 CO -0.18 -0.11 0.32 0.93 -1.03 0.00 0.00 178.44 178.37 3i55 h GLU 95 N -0.03 0.48 -0.65 2.65 5.08 -0.36 1.10 114.58 122.84 3i55 h GLU 95 Ca 0.09 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3i55 h GLU 95 Cb 0.18 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 3i55 h GLU 95 CO -0.21 0.31 0.36 1.03 -1.00 0.00 0.00 179.01 179.51 3i55 h SER 96 N 0.49 0.53 0.16 1.42 0.87 0.16 -2.24 113.55 114.94 3i55 h SER 96 Ca 0.40 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.98 3i55 h SER 96 Cb 0.56 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3i55 h SER 96 CO -0.36 0.35 -0.08 0.03 -0.53 0.00 0.00 176.83 176.24 3i55 h ARG 97 N 0.67 -0.20 -0.41 2.24 3.08 0.25 -3.21 114.38 116.79 3i55 h ARG 97 Ca 0.29 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.47 3i55 h ARG 97 Cb 0.18 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3i55 h ARG 97 CO -0.18 0.07 0.43 0.97 -1.07 0.00 0.00 179.97 180.20 3i55 h ILE 98 N -1.00 0.41 0.11 2.04 -0.00 0.11 0.68 117.51 119.85 3i55 h ILE 98 Ca -0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 64.86 64.60 3i55 h ILE 98 Cb 0.37 0.66 0.02 0.00 -0.00 0.00 0.00 36.82 37.88 3i55 h ILE 98 CO 0.04 0.00 -0.98 0.03 -0.00 0.00 0.00 178.15 177.23 3i55 h ARG 99 N 0.00 0.47 -0.27 2.19 3.08 -1.52 -2.35 114.38 116.00 3i55 h ARG 99 Ca 0.20 -0.65 0.05 0.00 0.07 0.00 0.00 59.98 59.64 3i55 h ARG 99 Cb 1.05 0.22 -0.05 0.00 0.08 0.00 0.00 29.97 31.27 3i55 h ARG 99 CO -0.00 1.28 -0.04 0.00 -1.07 0.00 0.00 179.97 180.14 3i55 h ALA 100 N 0.22 0.20 -0.04 0.04 0.00 -0.91 0.32 119.26 119.09 3i55 h ALA 100 Ca -0.15 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3i55 h ALA 100 Cb 1.71 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 3i55 h ALA 100 CO 0.19 -0.45 -0.14 1.96 0.00 0.00 0.00 179.25 180.81 3i55 h GLN 101 N 0.03 0.07 0.00 0.00 4.20 -1.31 -1.04 115.11 117.05 3i55 h GLN 101 Ca 0.13 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 3i55 h GLN 101 Cb 0.19 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3i55 h GLN 101 CO -0.25 0.22 -0.58 0.00 -0.67 0.00 0.00 178.83 177.54 3i55 h ARG 102 N 0.07 0.00 -0.12 1.46 3.08 -0.69 -3.02 114.38 115.15 3i55 h ARG 102 Ca 0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.86 3i55 h ARG 102 Cb 0.30 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.36 3i55 h ARG 102 CO 0.02 0.31 -0.74 1.15 -1.07 0.00 0.00 179.97 179.64 3i55 h THR 103 N 0.00 1.30 0.00 2.04 2.02 0.40 -2.58 112.91 116.10 3i55 h THR 103 Ca -0.03 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.18 3i55 h THR 103 Cb 1.30 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 3i55 h THR 103 CO 0.04 0.61 0.00 1.17 0.37 0.00 0.00 175.52 177.72 3i55 n LYS 104 N -4.01 0.00 -0.22 6.66 3.00 -0.47 -0.58 118.16 122.53 3i55 n LYS 104 Ca -0.08 0.43 0.31 0.00 -0.00 0.00 0.00 58.31 58.96 3i55 n LYS 104 Cb 0.73 -1.35 0.62 0.00 0.00 0.00 0.00 35.03 35.02 3i55 n LYS 104 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3i55 h LEU 105 N 0.00 0.00 0.01 3.14 3.38 -1.66 0.86 115.31 121.04 3i55 h LEU 105 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i55 h LEU 105 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i55 h LEU 105 CO 0.00 0.00 -0.01 -0.09 0.09 0.00 0.00 178.44 178.43 3i55 h ARG 106 N 0.00 -0.02 0.27 1.13 2.43 -0.93 -2.86 114.38 114.40 3i55 h ARG 106 Ca 0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 3i55 h ARG 106 Cb 2.49 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 32.03 3i55 h ARG 106 CO -0.01 0.59 -0.25 0.93 -1.51 0.00 0.00 179.97 179.73 3i55 h GLU 107 N -0.65 -0.52 -0.60 0.20 5.08 0.32 -2.74 114.58 115.67 3i55 h GLU 107 Ca -0.00 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 3i55 h GLU 107 Cb 0.62 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.88 3i55 h GLU 107 CO 0.00 -0.35 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.48 3i55 h LEU 108 N -0.54 -0.49 0.32 1.33 3.38 -1.21 -1.42 115.31 116.68 3i55 h LEU 108 Ca -0.01 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3i55 h LEU 108 Cb 0.49 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3i55 h LEU 108 CO -0.04 -0.18 -0.33 -0.09 0.09 0.00 0.00 178.44 177.88 3i55 h ARG 109 N 0.02 -0.66 0.00 1.13 2.43 -1.29 -1.80 114.38 114.22 3i55 h ARG 109 Ca 0.30 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 3i55 h ARG 109 Cb 0.46 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3i55 h ARG 109 CO -0.60 -0.44 0.00 -0.44 -1.51 0.00 0.00 179.97 176.99 3i55 h ASP 110 N -0.68 0.00 -0.27 -3.80 3.32 -1.17 0.53 116.42 114.35 3i55 h ASP 110 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3i55 h ASP 110 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3i55 h ASP 110 CO -0.07 0.00 0.00 1.21 -1.72 0.00 0.00 179.24 178.66 3i55 n GLU 111 N -2.82 2.15 0.00 3.56 2.13 -0.57 -4.96 120.64 120.13 3i55 n GLU 111 Ca -0.02 -1.72 0.00 0.00 0.66 0.00 0.00 57.16 56.08 3i55 n GLU 111 Cb 0.11 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.36 3i55 n GLU 111 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i55 n GLY 112 N 1.33 2.83 0.44 8.31 0.00 0.18 -4.86 105.19 113.42 3i55 n GLY 112 Ca 0.18 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.45 3i55 n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i55 h THR 113 N 0.00 0.37 -4.07 2.61 2.02 -1.65 -3.41 112.91 108.78 3i55 h THR 113 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.63 3i55 h THR 113 Cb 0.00 0.51 -0.24 0.00 -1.74 0.00 0.00 68.15 66.68 3i55 h THR 113 CO 0.00 0.00 -0.83 -0.76 0.37 0.00 0.00 175.52 174.30 3i55 s LEU 114 N -7.70 2.22 0.15 2.58 1.43 -1.22 -4.98 118.68 111.16 3i55 s LEU 114 Ca -0.04 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 3i55 s LEU 114 Cb 0.18 -0.89 -0.07 0.00 0.03 0.00 0.00 46.19 45.44 3i55 s LEU 114 CO 0.63 0.11 0.49 -0.94 0.23 0.00 0.00 176.35 176.86 3i55 s SER 115 N -1.44 6.69 0.00 2.29 1.04 -1.26 -4.57 113.70 116.44 3i55 s SER 115 Ca 0.06 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.40 3i55 s SER 115 Cb -0.09 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.81 3i55 s SER 115 CO 0.03 0.07 0.00 -1.54 0.98 0.00 0.00 173.24 172.77 3i55 n SER 116 N 0.51 0.00 0.00 7.02 3.41 -1.26 0.10 113.62 123.40 3i55 n SER 116 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3i55 n SER 116 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3i55 n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i55 n SER 117 N -0.05 3.26 0.04 4.04 3.41 -1.26 -4.12 113.62 118.95 3i55 n SER 117 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 3i55 n SER 117 Cb 0.00 0.54 -0.14 0.00 -0.26 0.00 0.00 64.21 64.35 3i55 n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3i55 h GLN 118 N 0.00 0.30 0.58 4.33 4.20 0.30 -2.71 115.11 122.12 3i55 h GLN 118 Ca 0.00 -0.52 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 3i55 h GLN 118 Cb 0.22 0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.19 3i55 h GLN 118 CO 0.00 1.25 -0.28 -0.92 -0.67 0.00 0.00 178.83 178.21 3i55 h TYR 119 N -0.30 -0.72 -0.96 2.96 3.20 -1.23 0.15 116.97 120.07 3i55 h TYR 119 Ca -0.21 -0.02 0.27 0.00 3.14 0.00 0.00 58.73 61.91 3i55 h TYR 119 Cb 1.74 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 40.21 3i55 h TYR 119 CO 0.16 -0.44 0.69 -0.09 -1.64 0.00 0.00 178.16 176.84 3i55 h ARG 120 N -0.82 0.03 0.00 1.82 9.65 -1.71 0.21 114.38 123.57 3i55 h ARG 120 Ca -0.08 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3i55 h ARG 120 Cb 0.61 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3i55 h ARG 120 CO 0.13 0.02 -0.00 0.22 2.80 0.00 0.00 179.97 183.14 3i55 h ASP 121 N 0.03 -0.00 -0.61 -3.80 -0.00 -1.01 -3.27 116.42 107.76 3i55 h ASP 121 Ca 0.46 -0.57 0.05 0.00 -0.00 0.00 0.00 57.03 56.97 3i55 h ASP 121 Cb 1.79 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 41.07 3i55 h ASP 121 CO -0.02 0.78 0.34 -0.07 -0.00 0.00 0.00 179.24 180.26 3i55 h LEU 122 N -1.00 0.50 -0.13 2.28 3.38 0.20 -2.95 115.31 117.59 3i55 h LEU 122 Ca -0.00 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3i55 h LEU 122 Cb 0.58 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 3i55 h LEU 122 CO 0.00 0.33 -0.46 0.22 0.09 0.00 0.00 178.44 178.62 3i55 h TYR 123 N 0.63 -1.39 -0.94 1.13 3.20 -0.76 -0.06 116.97 118.79 3i55 h TYR 123 Ca 0.27 0.05 0.18 0.00 3.14 0.00 0.00 58.73 62.38 3i55 h TYR 123 Cb 0.15 0.62 -0.08 0.00 1.54 0.00 0.00 36.73 38.96 3i55 h TYR 123 CO -0.08 -0.46 0.60 -0.44 -1.64 0.00 0.00 178.16 176.13 3i55 h ASP 124 N -0.49 0.59 -0.32 -2.11 3.32 -1.58 0.28 116.42 116.11 3i55 h ASP 124 Ca 0.03 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3i55 h ASP 124 Cb 0.58 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3i55 h ASP 124 CO -0.38 0.25 -0.22 0.11 -1.72 0.00 0.00 179.24 177.27 3i55 h LYS 125 N 0.60 0.72 0.32 3.56 1.57 -1.13 -1.04 116.57 121.16 3i55 h LYS 125 Ca 0.50 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3i55 h LYS 125 Cb 0.97 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3i55 h LYS 125 CO -0.24 0.95 -0.15 0.00 -0.57 0.00 0.00 179.45 179.44 3i55 h ALA 126 N 0.75 -0.42 0.00 3.86 0.00 0.30 0.19 119.26 123.93 3i55 h ALA 126 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i55 h ALA 126 Cb 0.77 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3i55 h ALA 126 CO 0.06 -0.73 0.00 0.41 0.00 0.00 0.00 179.25 178.99 3i55 n GLY 127 N -1.25 -0.56 0.40 0.00 0.00 -0.04 0.67 105.19 104.41 3i55 n GLY 127 Ca -0.10 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3i55 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i55 n GLY 128 N -1.25 -0.21 1.24 -0.02 0.00 0.58 -4.96 105.19 100.57 3i55 n GLY 128 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3i55 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i55 n GLY 129 N 1.39 0.70 0.13 -0.02 0.00 0.21 -5.01 105.19 102.61 3i55 n GLY 129 Ca 0.10 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 3i55 n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i55 n GLU 130 N -0.74 0.72 -4.01 1.61 -0.58 -0.67 -4.90 120.64 112.07 3i55 n GLU 130 Ca 0.00 0.23 -0.34 0.00 -0.42 0.00 0.00 57.16 56.62 3i55 n GLU 130 Cb 0.50 -1.66 -0.10 0.00 -0.57 0.00 0.00 31.44 29.61 3i55 n GLU 130 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3i55 s PHE 131 N -2.55 3.24 0.00 -0.32 0.40 -1.26 -5.02 117.98 112.47 3i55 s PHE 131 Ca -0.24 0.06 -0.03 0.00 -0.60 0.00 0.00 56.93 56.11 3i55 s PHE 131 Cb 0.07 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 3i55 s PHE 131 CO 0.73 0.14 0.72 -0.44 0.70 0.00 0.00 175.22 177.07 3i55 h ASP 132 N 6.72 -0.09 -4.79 1.36 3.32 -1.92 -3.48 116.42 117.54 3i55 h ASP 132 Ca -0.37 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.15 3i55 h ASP 132 Cb 1.17 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.65 3i55 h ASP 132 CO 0.70 -0.05 -0.37 -1.54 -1.72 0.00 0.00 179.24 176.26 3i55 n SER 133 N -2.39 3.07 -0.11 6.45 3.41 -1.26 -4.94 113.62 117.85 3i55 n SER 133 Ca -0.01 -2.81 -0.09 0.00 -0.26 0.00 0.00 58.87 55.70 3i55 n SER 133 Cb 0.04 0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 3i55 n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3i55 h VAL 134 N 1.13 1.11 -0.11 -3.33 2.07 -1.91 -2.08 116.25 113.13 3i55 h VAL 134 Ca -0.34 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 66.97 3i55 h VAL 134 Cb 1.06 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3i55 h VAL 134 CO 0.56 0.10 -0.17 0.00 0.02 0.00 0.00 177.57 178.09 3i55 h ALA 135 N 1.11 -0.47 -0.99 1.67 0.00 -2.00 0.65 119.26 119.23 3i55 h ALA 135 Ca 0.13 -0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.33 3i55 h ALA 135 Cb -0.02 0.81 -0.14 0.00 0.00 0.00 0.00 17.79 18.43 3i55 h ALA 135 CO -0.03 -0.55 0.56 0.22 0.00 0.00 0.00 179.25 179.45 3i55 h ASP 136 N -0.13 0.53 0.23 0.00 3.58 -1.93 -0.39 116.42 118.31 3i55 h ASP 136 Ca 0.02 0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 3i55 h ASP 136 Cb 0.19 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 3i55 h ASP 136 CO -0.17 -0.07 -0.31 0.25 -2.88 0.00 0.00 179.24 176.05 3i55 h LEU 137 N 0.38 -0.89 -0.38 2.28 5.85 -0.18 -2.62 115.31 119.75 3i55 h LEU 137 Ca 0.70 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.58 3i55 h LEU 137 Cb 1.52 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 42.78 3i55 h LEU 137 CO -0.58 -0.39 -0.16 -0.33 -0.34 0.00 0.00 178.44 176.65 3i55 h GLU 138 N -0.57 -0.09 0.00 1.25 5.08 -0.25 0.43 114.58 120.44 3i55 h GLU 138 Ca -0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3i55 h GLU 138 Cb 0.51 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3i55 h GLU 138 CO -0.08 -0.06 0.00 0.54 -1.00 0.00 0.00 179.01 178.41 3i55 n ARG 139 N -5.35 0.00 0.00 2.33 1.74 -0.29 0.12 116.66 115.21 3i55 n ARG 139 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3i55 n ARG 139 Cb 0.26 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 3i55 n ARG 139 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3i55 n TYR 140 N -0.52 0.00 0.17 -1.55 9.36 0.14 -4.68 117.16 120.07 3i55 n TYR 140 Ca 0.00 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.08 3i55 n TYR 140 Cb 0.00 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.63 3i55 n TYR 140 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3i55 h ILE 141 N 0.00 0.74 -2.77 2.97 2.04 0.24 -3.36 117.51 117.37 3i55 h ILE 141 Ca 0.00 0.00 -0.56 0.00 1.00 0.00 0.00 64.86 65.30 3i55 h ILE 141 Cb 0.95 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 3i55 h ILE 141 CO 0.00 0.00 1.19 -1.81 0.00 0.00 0.00 178.15 177.53 3i55 s ASP 142 N -4.88 5.97 0.00 1.72 1.01 0.88 -5.09 116.67 116.28 3i55 s ASP 142 Ca -0.15 0.82 0.00 0.00 0.71 0.00 0.00 52.55 53.93 3i55 s ASP 142 Cb 0.05 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.45 3i55 s ASP 142 CO 0.64 -1.73 0.00 0.00 0.21 0.00 0.00 175.17 174.29