#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iyd s ARG 3 N 0.00 1.97 0.06 0.00 0.52 -1.26 -5.13 118.95 115.11 3iyd s ARG 3 Ca 0.00 -2.15 -0.20 0.00 -0.52 0.00 0.00 55.73 52.85 3iyd s ARG 3 Cb 0.00 -1.43 -0.06 0.00 0.52 0.00 0.00 34.95 33.97 3iyd s ARG 3 CO 0.00 -0.17 0.60 0.08 0.02 0.00 0.00 175.30 175.83 3iyd s VAL 4 N -2.87 4.74 -0.78 3.52 1.01 -1.26 -4.45 120.40 120.32 3iyd s VAL 4 Ca 0.28 1.29 -0.18 0.00 0.00 0.00 0.00 61.98 63.37 3iyd s VAL 4 Cb 0.07 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.54 3iyd s VAL 4 CO 0.14 0.51 0.46 1.07 0.00 0.00 0.00 175.10 177.28 3iyd n THR 5 N 2.01 -1.96 -0.01 3.92 5.66 -1.26 -4.85 114.28 117.80 3iyd n THR 5 Ca -0.09 -0.30 -0.01 0.00 -3.05 0.00 0.00 64.05 60.61 3iyd n THR 5 Cb 0.51 -1.69 -0.01 0.00 -1.55 0.00 0.00 70.33 67.59 3iyd n THR 5 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3iyd n VAL 6 N -3.34 0.07 0.92 1.08 3.14 -1.26 -4.62 118.33 114.32 3iyd n VAL 6 Ca -0.12 -0.03 0.14 0.00 -2.96 0.00 0.00 64.34 61.37 3iyd n VAL 6 Cb 0.42 -0.59 0.53 0.00 -1.06 0.00 0.00 33.84 33.14 3iyd n VAL 6 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3iyd n GLN 7 N -2.56 0.06 0.17 1.45 3.00 -1.26 -3.34 117.38 114.90 3iyd n GLN 7 Ca -0.02 0.04 0.12 0.00 -0.01 0.00 0.00 57.00 57.13 3iyd n GLN 7 Cb 0.52 -1.56 0.10 0.00 0.00 0.00 0.00 30.24 29.30 3iyd n GLN 7 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 3iyd h ASP 8 N 0.00 0.00 1.39 1.08 3.58 -1.96 -3.17 116.42 117.33 3iyd h ASP 8 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 3iyd h ASP 8 Cb 0.55 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 3iyd h ASP 8 CO 0.00 0.01 -0.63 0.00 -2.88 0.00 0.00 179.24 175.74 3iyd h ALA 9 N 1.99 0.72 0.00 -0.78 0.00 -1.81 -2.95 119.26 116.43 3iyd h ALA 9 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3iyd h ALA 9 Cb 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3iyd h ALA 9 CO 0.00 0.19 -0.93 1.33 0.00 0.00 0.00 179.25 179.84 3iyd n VAL 10 N -2.93 0.10 -0.06 0.00 0.24 -1.24 -4.06 118.33 110.38 3iyd n VAL 10 Ca 0.01 -0.15 -0.03 0.00 -2.04 0.00 0.00 64.34 62.12 3iyd n VAL 10 Cb 0.60 0.37 -0.16 0.00 -1.47 0.00 0.00 33.84 33.18 3iyd n VAL 10 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3iyd n GLU 11 N -1.78 0.67 -0.01 7.34 0.28 -1.20 -4.34 120.64 121.60 3iyd n GLU 11 Ca 0.03 -0.03 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 3iyd n GLU 11 Cb 0.40 -1.55 0.14 0.00 1.43 0.00 0.00 31.44 31.85 3iyd n GLU 11 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3iyd h LYS 12 N 0.00 0.57 -6.75 3.44 1.63 -1.68 -3.44 116.57 110.35 3iyd h LYS 12 Ca -0.36 -0.25 -0.68 0.00 -0.85 0.00 0.00 60.65 58.51 3iyd h LYS 12 Cb 1.84 -0.02 -0.20 0.00 -0.60 0.00 0.00 32.23 33.26 3iyd h LYS 12 CO 0.02 0.81 -0.82 -1.50 -3.45 0.00 0.00 179.45 174.52 3iyd s ILE 13 N -4.41 2.70 -0.09 2.00 2.07 -1.26 -5.03 121.20 117.17 3iyd s ILE 13 Ca -0.08 -1.53 -0.04 0.00 -1.41 0.00 0.00 60.65 57.59 3iyd s ILE 13 Cb 0.13 -2.22 -0.15 0.00 0.13 0.00 0.00 42.46 40.35 3iyd s ILE 13 CO 0.81 0.12 3.16 0.61 -1.91 0.00 0.00 174.94 177.74 3iyd n GLY 14 N 0.91 3.20 3.57 1.50 0.00 -1.26 -4.78 105.19 108.33 3iyd n GLY 14 Ca -0.16 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 3iyd n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iyd s ASN 15 N 1.64 -0.29 -0.10 1.61 2.20 -1.26 -5.08 114.94 113.66 3iyd s ASN 15 Ca 0.54 0.19 -0.00 0.00 -0.94 0.00 0.00 52.86 52.64 3iyd s ASN 15 Cb 0.28 0.26 -0.06 0.00 -2.00 0.00 0.00 41.25 39.73 3iyd s ASN 15 CO -0.04 -0.36 -0.10 -1.14 -2.94 0.00 0.00 177.10 172.52 3iyd n ARG 16 N 0.30 0.24 0.30 3.55 0.63 -1.26 -4.49 116.66 115.93 3iyd n ARG 16 Ca -0.07 0.07 0.18 0.00 -0.92 0.00 0.00 57.85 57.11 3iyd n ARG 16 Cb 0.59 -1.14 0.90 0.00 0.45 0.00 0.00 32.46 33.27 3iyd n ARG 16 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 3iyd h PHE 17 N -0.07 0.00 -0.06 -0.14 0.04 -2.01 -2.76 116.94 111.94 3iyd h PHE 17 Ca -0.23 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.46 3iyd h PHE 17 Cb 1.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.48 3iyd h PHE 17 CO 0.00 0.04 -0.29 0.22 -0.60 0.00 0.00 178.31 177.68 3iyd h ASP 18 N 0.00 0.35 -0.32 2.17 3.58 -1.99 -3.19 116.42 117.02 3iyd h ASP 18 Ca -0.00 -0.66 0.09 0.00 0.42 0.00 0.00 57.03 56.89 3iyd h ASP 18 Cb 0.26 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 3iyd h ASP 18 CO 0.00 0.95 0.31 0.25 -2.88 0.00 0.00 179.24 177.87 3iyd h LEU 19 N -0.22 0.00 0.11 2.28 7.12 -1.71 -2.71 115.31 120.17 3iyd h LEU 19 Ca -0.02 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.99 3iyd h LEU 19 Cb 0.94 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.07 3iyd h LEU 19 CO 0.06 0.00 -0.10 0.58 -0.13 0.00 0.00 178.44 178.85 3iyd h VAL 20 N 0.00 0.00 0.00 1.05 2.07 -1.56 -2.82 116.25 114.99 3iyd h VAL 20 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 3iyd h VAL 20 Cb 0.76 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3iyd h VAL 20 CO -0.00 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 177.45 3iyd h LEU 21 N -0.20 0.00 -1.40 2.57 3.38 -1.66 -1.63 115.31 116.36 3iyd h LEU 21 Ca -0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3iyd h LEU 21 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3iyd h LEU 21 CO -0.01 0.07 0.46 0.58 0.09 0.00 0.00 178.44 179.63 3iyd h VAL 22 N 0.00 1.02 -0.24 1.22 2.07 -1.25 -2.52 116.25 116.54 3iyd h VAL 22 Ca -0.00 -0.25 -0.18 0.00 0.82 0.00 0.00 66.70 67.09 3iyd h VAL 22 Cb 0.21 0.23 -0.16 0.00 -1.52 0.00 0.00 31.29 30.05 3iyd h VAL 22 CO 0.01 0.13 -0.64 0.00 0.02 0.00 0.00 177.57 177.10 3iyd n ALA 23 N -2.45 4.01 -0.26 1.67 0.00 -0.68 -4.63 120.51 118.16 3iyd n ALA 23 Ca 0.10 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 50.14 3iyd n ALA 23 Cb 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3iyd n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyd n ALA 24 N -0.91 2.74 0.29 0.00 0.00 -0.77 -4.40 120.51 117.46 3iyd n ALA 24 Ca 0.26 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.74 3iyd n ALA 24 Cb 0.80 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.43 3iyd n ALA 24 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3iyd n ARG 25 N -2.11 0.02 -0.12 0.00 1.85 -1.16 -1.74 116.66 113.40 3iyd n ARG 25 Ca 0.00 0.34 -0.17 0.00 -1.00 0.00 0.00 57.85 57.02 3iyd n ARG 25 Cb 0.00 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.80 3iyd n ARG 25 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3iyd n ARG 26 N -1.47 0.62 0.10 2.89 0.00 -1.26 -4.00 116.66 113.54 3iyd n ARG 26 Ca 0.02 0.14 -0.13 0.00 -0.00 0.00 0.00 57.85 57.88 3iyd n ARG 26 Cb 0.09 -1.49 -0.08 0.00 0.00 0.00 0.00 32.46 30.98 3iyd n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3iyd h ALA 27 N 0.03 -0.21 0.00 5.13 0.00 -1.64 -1.58 119.26 120.99 3iyd h ALA 27 Ca -0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3iyd h ALA 27 Cb 1.86 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 3iyd h ALA 27 CO -0.08 -0.52 -0.03 0.07 0.00 0.00 0.00 179.25 178.69 3iyd h ARG 28 N -0.41 0.00 0.00 0.00 0.11 -1.59 -1.70 114.38 110.79 3iyd h ARG 28 Ca -0.02 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.94 3iyd h ARG 28 Cb 0.32 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.38 3iyd h ARG 28 CO 0.04 0.03 -0.60 0.37 0.10 0.00 0.00 179.97 179.90 3iyd h GLN 29 N 0.00 0.00 -0.14 0.08 4.15 -1.59 -3.17 115.11 114.43 3iyd h GLN 29 Ca -0.00 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 3iyd h GLN 29 Cb 0.26 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 3iyd h GLN 29 CO 0.00 0.54 -0.36 1.98 -1.93 0.00 0.00 178.83 179.06 3iyd h MET 30 N 0.00 0.29 0.23 1.69 4.05 -0.32 -2.28 114.93 118.59 3iyd h MET 30 Ca -0.01 -0.13 -0.33 0.00 -0.28 0.00 0.00 59.70 58.95 3iyd h MET 30 Cb 1.44 -0.01 0.04 0.00 -0.80 0.00 0.00 31.60 32.26 3iyd h MET 30 CO 0.07 0.62 -1.44 1.96 0.23 0.00 0.00 176.91 178.35 3iyd h GLN 31 N 0.25 0.56 0.00 0.39 4.20 -1.60 -2.76 115.11 116.14 3iyd h GLN 31 Ca 0.03 -0.91 0.00 0.00 0.06 0.00 0.00 58.65 57.83 3iyd h GLN 31 Cb 0.76 0.33 0.00 0.00 0.30 0.00 0.00 27.48 28.87 3iyd h GLN 31 CO 0.06 1.43 0.00 1.33 -0.67 0.00 0.00 178.83 180.98 3iyd n VAL 32 N -3.73 0.33 0.21 -0.54 0.24 -1.20 -2.65 118.33 110.99 3iyd n VAL 32 Ca -0.16 0.08 0.05 0.00 -2.04 0.00 0.00 64.34 62.27 3iyd n VAL 32 Cb 1.09 -0.68 0.08 0.00 -1.47 0.00 0.00 33.84 32.86 3iyd n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iyd n GLY 33 N 0.88 0.80 0.37 7.63 0.00 -0.86 -4.84 105.19 109.17 3iyd n GLY 33 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3iyd n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iyd n GLY 34 N 0.55 0.96 0.00 -0.02 0.00 -1.05 -4.49 105.19 101.14 3iyd n GLY 34 Ca 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3iyd n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iyd n LYS 35 N 0.00 0.00 0.04 1.61 4.81 -1.25 -4.34 118.16 119.03 3iyd n LYS 35 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 3iyd n LYS 35 Cb 0.00 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.25 3iyd n LYS 35 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 3iyd h ASP 36 N 0.00 0.41 -0.37 3.14 2.03 -1.90 -2.96 116.42 116.77 3iyd h ASP 36 Ca 0.00 -0.15 0.11 0.00 -0.73 0.00 0.00 57.03 56.25 3iyd h ASP 36 Cb 0.00 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.37 3iyd h ASP 36 CO 0.00 0.72 0.31 -0.65 -1.03 0.00 0.00 179.24 178.59 3iyd h PRO 37 N 0.35 0.00 -5.94 4.15 0.11 -1.93 -3.36 132.00 125.38 3iyd h PRO 37 Ca 0.04 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.71 3iyd h PRO 37 Cb 0.74 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.80 3iyd h PRO 37 CO 0.06 0.00 1.11 -1.17 -0.21 0.00 0.00 178.00 177.79 3iyd s LEU 38 N -8.18 3.25 0.13 2.35 1.98 -1.12 -4.81 118.68 112.27 3iyd s LEU 38 Ca -0.05 -0.27 0.12 0.00 -2.89 0.00 0.00 54.13 51.05 3iyd s LEU 38 Cb 0.17 -2.55 -0.11 0.00 0.66 0.00 0.00 46.19 44.36 3iyd s LEU 38 CO 0.64 -2.38 1.13 -0.37 -1.89 0.00 0.00 176.35 173.48 3iyd h VAL 39 N 6.92 1.05 -3.85 1.68 -1.51 -1.88 -3.47 116.25 115.19 3iyd h VAL 39 Ca -0.09 -2.63 -0.53 0.00 -1.23 0.00 0.00 66.70 62.22 3iyd h VAL 39 Cb 1.08 2.47 0.21 0.00 -2.13 0.00 0.00 31.29 32.92 3iyd h VAL 39 CO 1.24 0.60 -0.15 -2.65 -1.23 0.00 0.00 177.57 175.38 3iyd n PRO 40 N -3.16 -0.35 -0.66 5.19 -0.02 -1.26 -4.96 135.00 129.78 3iyd n PRO 40 Ca -0.04 -0.05 -0.28 0.00 -2.02 0.00 0.00 63.50 61.11 3iyd n PRO 40 Cb 0.88 -2.13 0.24 0.00 -0.02 0.00 0.00 33.50 32.47 3iyd n PRO 40 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3iyd s GLU 41 N -4.13 -0.83 0.00 -0.52 8.01 -1.26 -4.89 118.70 115.08 3iyd s GLU 41 Ca 0.62 0.73 0.13 0.00 0.01 0.00 0.00 54.97 56.46 3iyd s GLU 41 Cb -0.23 -1.57 0.72 0.00 -4.31 0.00 0.00 34.13 28.75 3iyd s GLU 41 CO 0.62 -3.63 1.48 0.39 0.01 0.00 0.00 175.26 174.12 3iyd n GLU 42 N -4.84 1.12 0.00 1.61 4.71 -1.26 -3.94 120.64 118.05 3iyd n GLU 42 Ca 0.03 -0.19 -0.13 0.00 -0.01 0.00 0.00 57.16 56.87 3iyd n GLU 42 Cb 0.55 -1.22 -0.09 0.00 -1.01 0.00 0.00 31.44 29.67 3iyd n GLU 42 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 3iyd h ASN 43 N 0.35 -0.01 -0.58 1.62 -1.24 -2.02 -3.35 115.58 110.35 3iyd h ASN 43 Ca 0.00 -0.39 -0.63 0.00 0.71 0.00 0.00 56.30 56.00 3iyd h ASN 43 Cb 0.08 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.07 3iyd h ASN 43 CO 0.00 0.38 2.21 0.47 -1.29 0.00 0.00 177.43 179.21 3iyd n ASP 44 N -4.91 4.28 -3.77 1.15 8.00 -1.25 -4.87 116.55 115.18 3iyd n ASP 44 Ca -0.08 -2.85 -0.13 0.00 0.71 0.00 0.00 54.79 52.44 3iyd n ASP 44 Cb 0.21 -1.69 -0.10 0.00 -0.02 0.00 0.00 41.12 39.52 3iyd n ASP 44 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3iyd s LYS 45 N 4.44 0.51 1.20 -1.24 2.20 -1.26 -4.82 119.74 120.76 3iyd s LYS 45 Ca 0.55 0.07 -0.15 0.00 -0.36 0.00 0.00 55.97 56.09 3iyd s LYS 45 Cb 0.06 0.23 0.29 0.00 -1.51 0.00 0.00 37.83 36.90 3iyd s LYS 45 CO 0.06 -0.11 1.02 -0.08 -0.36 0.00 0.00 175.35 175.88 3iyd s THR 46 N -0.64 1.87 -0.09 3.43 -1.32 -1.19 -5.05 115.64 112.66 3iyd s THR 46 Ca -0.07 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 3iyd s THR 46 Cb -0.04 -2.14 0.02 0.00 -1.51 0.00 0.00 72.50 68.83 3iyd s THR 46 CO 0.02 0.00 -0.07 0.42 -2.21 0.00 0.00 174.62 172.78 3iyd s THR 47 N -2.52 0.88 -0.24 5.08 -4.23 -1.26 -4.90 115.64 108.44 3iyd s THR 47 Ca 0.68 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 3iyd s THR 47 Cb -0.22 -0.89 0.04 0.00 1.34 0.00 0.00 72.50 72.76 3iyd s THR 47 CO 0.63 0.33 -0.09 -0.69 -0.54 0.00 0.00 174.62 174.25 3iyd s VAL 48 N 1.42 2.55 -0.46 2.29 1.01 -1.26 -5.05 120.40 120.90 3iyd s VAL 48 Ca -0.01 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 3iyd s VAL 48 Cb -0.13 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.94 3iyd s VAL 48 CO -0.04 0.16 1.13 -0.51 0.00 0.00 0.00 175.10 175.84 3iyd s ILE 49 N 1.25 4.23 -0.29 2.22 2.07 -1.26 -4.08 121.20 125.34 3iyd s ILE 49 Ca -0.02 1.26 -0.15 0.00 -1.41 0.00 0.00 60.65 60.33 3iyd s ILE 49 Cb -0.17 -4.59 0.15 0.00 0.13 0.00 0.00 42.46 37.98 3iyd s ILE 49 CO -0.06 -0.96 0.94 0.00 -1.91 0.00 0.00 174.94 172.95 3iyd s ALA 50 N 4.38 -2.39 -1.46 1.50 0.00 -1.20 -4.96 121.76 117.63 3iyd s ALA 50 Ca 0.48 2.17 -0.04 0.00 0.00 0.00 0.00 51.96 54.57 3iyd s ALA 50 Cb -0.08 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 21.24 3iyd s ALA 50 CO 0.30 -0.60 0.36 1.28 0.00 0.00 0.00 175.76 177.11 3iyd n LEU 51 N 4.30 -2.04 -3.68 0.00 4.32 -1.26 -1.99 117.00 116.65 3iyd n LEU 51 Ca -0.15 -0.18 -0.23 0.00 -0.02 0.00 0.00 56.01 55.44 3iyd n LEU 51 Cb 0.55 -2.65 0.05 0.00 -1.62 0.00 0.00 43.42 39.75 3iyd n LEU 51 CO -0.01 0.07 0.06 0.54 -1.22 0.00 0.00 177.39 176.83 3iyd n ARG 52 N -3.57 -5.94 -3.47 3.23 3.00 -1.26 -4.96 116.66 103.69 3iyd n ARG 52 Ca -0.12 0.70 -0.06 0.00 -0.01 0.00 0.00 57.85 58.35 3iyd n ARG 52 Cb 0.62 -5.52 0.02 0.00 0.00 0.00 0.00 32.46 27.58 3iyd n ARG 52 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3iyd n GLU 53 N -4.46 0.88 -4.38 5.56 0.28 -0.84 -5.18 120.64 112.49 3iyd n GLU 53 Ca -0.17 -1.77 -0.20 0.00 -0.16 0.00 0.00 57.16 54.86 3iyd n GLU 53 Cb 0.62 2.25 -0.15 0.00 1.43 0.00 0.00 31.44 35.59 3iyd n GLU 53 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 3iyd s ILE 54 N -2.18 0.78 0.00 3.84 2.07 -1.26 -3.24 121.20 121.20 3iyd s ILE 54 Ca 0.16 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 59.04 3iyd s ILE 54 Cb -0.04 -0.69 0.00 0.00 0.13 0.00 0.00 42.46 41.86 3iyd s ILE 54 CO 0.09 0.24 0.00 -0.62 -1.91 0.00 0.00 174.94 172.74 3iyd n GLU 55 N 3.30 0.98 0.00 3.50 4.71 -1.26 -4.97 120.64 126.89 3iyd n GLU 55 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 3iyd n GLU 55 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.97 3iyd n GLU 55 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3iyd n GLU 56 N 0.00 0.00 0.00 3.49 0.00 -1.26 -4.58 120.64 118.29 3iyd n GLU 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3iyd n GLU 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3iyd n GLU 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3iyd n GLY 57 N 0.00 -0.10 7.00 8.31 0.00 -1.26 -5.03 105.19 114.11 3iyd n GLY 57 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3iyd n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iyd n LEU 58 N 0.00 0.00 0.00 0.99 7.99 -1.26 -3.15 117.00 121.57 3iyd n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3iyd n LEU 58 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3iyd n LEU 58 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.88 3iyd n ILE 59 N 0.00 0.00 -0.94 -0.08 3.06 -1.26 -4.93 119.36 115.21 3iyd n ILE 59 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3iyd n ILE 59 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 3iyd n ILE 59 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3iyd n ASN 60 N 0.00 -3.70 -0.01 9.51 5.03 -1.26 -4.78 115.26 120.05 3iyd n ASN 60 Ca 0.00 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.46 3iyd n ASN 60 Cb 0.00 -2.08 0.01 0.00 -1.02 0.00 0.00 39.78 36.70 3iyd n ASN 60 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3iyd n ASN 61 N -0.46 1.79 -0.05 6.41 3.02 -1.26 -4.67 115.26 120.04 3iyd n ASN 61 Ca 0.00 -1.99 -0.01 0.00 -0.03 0.00 0.00 54.58 52.55 3iyd n ASN 61 Cb 0.23 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.21 3iyd n ASN 61 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3iyd n GLN 62 N -0.53 0.90 -1.65 3.52 -0.06 -1.26 -4.84 117.38 113.45 3iyd n GLN 62 Ca 0.02 -0.08 -0.40 0.00 -2.00 0.00 0.00 57.00 54.54 3iyd n GLN 62 Cb 0.32 -1.45 -0.03 0.00 -4.06 0.00 0.00 30.24 25.02 3iyd n GLN 62 CO 0.00 0.00 0.00 -1.50 -0.20 0.00 0.00 177.06 175.36 3iyd s ILE 63 N -2.81 3.07 0.24 1.69 -1.16 -1.26 -4.49 121.20 116.49 3iyd s ILE 63 Ca -0.08 0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.13 3iyd s ILE 63 Cb 0.08 -3.14 0.00 0.00 0.61 0.00 0.00 42.46 40.02 3iyd s ILE 63 CO 0.74 -0.11 0.00 0.18 -2.81 0.00 0.00 174.94 172.94 3iyd n LEU 64 N 13.39 -1.16 -4.25 8.50 4.77 -1.26 -5.03 117.00 131.97 3iyd n LEU 64 Ca 0.31 0.44 -0.43 0.00 -0.03 0.00 0.00 56.01 56.30 3iyd n LEU 64 Cb 0.50 1.24 -0.04 0.00 -2.33 0.00 0.00 43.42 42.78 3iyd n LEU 64 CO 0.69 -0.42 0.34 -1.81 -1.33 0.00 0.00 177.39 174.86 3iyd s ASP 65 N -3.90 6.33 0.41 -1.43 1.01 -1.26 -5.06 116.67 112.77 3iyd s ASP 65 Ca 0.00 -2.87 0.02 0.00 0.71 0.00 0.00 52.55 50.41 3iyd s ASP 65 Cb 0.00 -2.09 -0.00 0.00 1.01 0.00 0.00 42.92 41.83 3iyd s ASP 65 CO 0.00 -0.47 0.61 0.68 0.21 0.00 0.00 175.17 176.20 3iyd s VAL 66 N -0.10 4.00 0.24 -1.27 -7.23 -1.26 -5.12 120.40 109.65 3iyd s VAL 66 Ca 0.19 -0.67 -0.12 0.00 -1.81 0.00 0.00 61.98 59.57 3iyd s VAL 66 Cb -0.13 -3.45 -0.01 0.00 0.56 0.00 0.00 36.38 33.36 3iyd s VAL 66 CO -0.07 -0.27 0.46 -0.60 -0.31 0.00 0.00 175.10 174.31 3iyd s ARG 67 N -4.43 1.51 0.00 4.82 6.06 -1.26 -5.14 118.95 120.51 3iyd s ARG 67 Ca 0.47 -1.26 0.00 0.00 -2.50 0.00 0.00 55.73 52.44 3iyd s ARG 67 Cb -0.10 0.46 0.00 0.00 0.06 0.00 0.00 34.95 35.37 3iyd s ARG 67 CO 0.36 -0.62 0.00 0.39 -2.50 0.00 0.00 175.30 172.92 3iyd n GLU 68 N -0.37 0.00 -3.11 5.12 -0.58 -1.26 -4.95 120.64 115.49 3iyd n GLU 68 Ca -0.02 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.33 3iyd n GLU 68 Cb 0.62 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.44 3iyd n GLU 68 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 3iyd s ARG 69 N 0.02 4.41 0.00 3.49 1.70 -1.26 -4.97 118.95 122.34 3iyd s ARG 69 Ca 0.00 0.79 0.00 0.00 -0.47 0.00 0.00 55.73 56.05 3iyd s ARG 69 Cb 0.00 -3.42 0.00 0.00 -0.57 0.00 0.00 34.95 30.96 3iyd s ARG 69 CO 0.00 0.14 0.00 1.04 -1.08 0.00 0.00 175.30 175.40 3iyd n GLN 70 N 3.55 0.00 -3.82 3.89 3.00 -1.26 -5.16 117.38 117.58 3iyd n GLN 70 Ca -0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.74 3iyd n GLN 70 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.73 3iyd n GLN 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 3iyd s GLU 71 N 1.55 3.45 0.00 -1.09 -6.30 -1.26 -5.10 118.70 109.95 3iyd s GLU 71 Ca 0.00 -0.64 0.00 0.00 -2.50 0.00 0.00 54.97 51.83 3iyd s GLU 71 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 34.13 31.29 3iyd s GLU 71 CO 0.00 0.37 0.00 0.00 0.02 0.00 0.00 175.26 175.65 3iyd n GLN 72 N -1.40 0.00 0.00 4.30 0.00 -1.26 -5.01 117.38 114.01 3iyd n GLN 72 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.92 3iyd n GLN 72 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.80 3iyd n GLN 72 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 3iyd n GLN 73 N 0.00 0.00 0.01 2.61 7.27 -1.26 -4.96 117.38 121.05 3iyd n GLN 73 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.09 3iyd n GLN 73 Cb 0.00 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.55 3iyd n GLN 73 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 3iyd n GLU 74 N 0.00 0.64 0.14 3.69 2.13 -1.26 -4.12 120.64 121.85 3iyd n GLU 74 Ca 0.00 0.08 0.12 0.00 0.66 0.00 0.00 57.16 58.03 3iyd n GLU 74 Cb 0.00 -1.70 0.22 0.00 0.27 0.00 0.00 31.44 30.23 3iyd n GLU 74 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 3iyd h GLN 75 N 0.00 0.00 -0.97 5.31 -0.00 -1.98 -3.29 115.11 114.17 3iyd h GLN 75 Ca -0.17 0.00 0.22 0.00 -0.00 0.00 0.00 58.65 58.70 3iyd h GLN 75 Cb 1.50 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 28.89 3iyd h GLN 75 CO 0.03 0.00 0.63 1.05 0.00 0.00 0.00 178.83 180.53 3iyd h GLU 76 N 0.00 0.48 0.00 1.69 4.11 -1.95 -1.31 114.58 117.60 3iyd h GLU 76 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 3iyd h GLU 76 Cb 0.87 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3iyd h GLU 76 CO 0.00 0.32 -0.24 0.00 0.07 0.00 0.00 179.01 179.16 3iyd n ALA 77 N -2.46 2.66 -0.12 1.06 0.00 -1.25 -4.33 120.51 116.06 3iyd n ALA 77 Ca 0.22 -2.68 -0.25 0.00 0.00 0.00 0.00 53.44 50.73 3iyd n ALA 77 Cb 0.72 -0.40 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 3iyd n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyd n ALA 78 N -1.13 1.29 0.92 0.00 0.00 -0.50 -4.37 120.51 116.71 3iyd n ALA 78 Ca 0.15 -1.00 0.11 0.00 0.00 0.00 0.00 53.44 52.71 3iyd n ALA 78 Cb 0.68 0.15 0.13 0.00 0.00 0.00 0.00 19.45 20.41 3iyd n ALA 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3iyd n GLU 79 N -4.19 0.05 0.09 0.00 -0.58 -1.15 -3.77 120.64 111.09 3iyd n GLU 79 Ca -0.46 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.16 3iyd n GLU 79 Cb 0.81 -1.52 -0.08 0.00 -0.57 0.00 0.00 31.44 30.08 3iyd n GLU 79 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3iyd h LEU 80 N 0.00 -0.23 0.00 -4.62 7.12 -1.76 -2.55 115.31 113.28 3iyd h LEU 80 Ca 0.00 -0.29 0.00 0.00 0.13 0.00 0.00 57.88 57.72 3iyd h LEU 80 Cb 0.54 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.73 3iyd h LEU 80 CO 0.00 0.22 0.00 0.00 -0.13 0.00 0.00 178.44 178.53 3iyd n GLN 81 N -5.01 0.90 -0.10 1.25 6.02 -1.26 -2.97 117.38 116.21 3iyd n GLN 81 Ca -0.09 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.69 3iyd n GLN 81 Cb 0.26 -1.46 -0.12 0.00 1.02 0.00 0.00 30.24 29.94 3iyd n GLN 81 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iyd h ALA 82 N 3.73 0.26 -0.26 -1.58 0.00 -1.62 -3.38 119.26 116.41 3iyd h ALA 82 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 54.91 53.58 3iyd h ALA 82 Cb 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3iyd h ALA 82 CO 0.00 0.70 -0.34 -0.24 0.00 0.00 0.00 179.25 179.37 3iyd h VAL 83 N -0.99 1.29 -3.26 0.00 3.04 -1.50 -3.42 116.25 111.42 3iyd h VAL 83 Ca -0.35 -1.46 -0.56 0.00 -1.01 0.00 0.00 66.70 63.32 3iyd h VAL 83 Cb 1.31 1.45 -0.35 0.00 -2.01 0.00 0.00 31.29 31.69 3iyd h VAL 83 CO -0.21 0.47 -0.82 -0.89 -1.01 0.00 0.00 177.57 175.10 3iyd s THR 84 N -4.36 1.32 -0.10 3.17 2.01 -1.16 -5.03 115.64 111.50 3iyd s THR 84 Ca -0.08 -0.52 -0.10 0.00 0.31 0.00 0.00 61.69 61.30 3iyd s THR 84 Cb 0.13 -1.24 -0.28 0.00 0.01 0.00 0.00 72.50 71.12 3iyd s THR 84 CO 0.82 0.41 0.49 0.00 -0.69 0.00 0.00 174.62 175.64 3iyd h ALA 85 N 7.59 0.30 -3.63 7.40 0.00 -1.82 -3.37 119.26 125.73 3iyd h ALA 85 Ca -0.32 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.33 3iyd h ALA 85 Cb 1.16 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3iyd h ALA 85 CO 0.47 1.13 -0.85 0.44 0.00 0.00 0.00 179.25 180.44 3iyd n ILE 86 N -3.61 -3.27 -1.92 0.00 -5.35 -1.26 -5.06 119.36 98.89 3iyd n ILE 86 Ca -0.29 1.57 0.00 0.00 -0.27 0.00 0.00 62.75 63.77 3iyd n ILE 86 Cb 1.03 -2.42 0.00 0.00 -1.74 0.00 0.00 39.64 36.50 3iyd n ILE 86 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iyd n ALA 87 N -2.05 0.00 -3.59 -1.28 0.00 -1.26 -5.16 120.51 107.17 3iyd n ALA 87 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3iyd n ALA 87 Cb 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.66 3iyd n ALA 87 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3iyd s GLU 88 N 1.65 0.34 0.26 0.00 -6.30 -1.26 -5.17 118.70 108.23 3iyd s GLU 88 Ca 0.00 0.97 0.09 0.00 -2.50 0.00 0.00 54.97 53.53 3iyd s GLU 88 Cb 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 34.13 34.30 3iyd s GLU 88 CO 0.00 -0.33 -0.14 0.20 0.02 0.00 0.00 175.26 175.02 3iyd s GLY 89 N 2.62 1.73 0.17 -1.50 0.00 -1.26 -5.16 107.32 103.92 3iyd s GLY 89 Ca 0.01 -1.82 0.05 0.00 0.00 0.00 0.00 44.72 42.96 3iyd s GLY 89 CO -0.14 -1.87 -0.10 0.50 0.00 0.00 0.00 173.10 171.50 3iyd s ARG 90 N -3.62 1.16 0.00 2.90 0.52 -1.26 -5.36 118.95 113.29 3iyd s ARG 90 Ca 0.27 -1.51 0.31 0.00 -0.52 0.00 0.00 55.73 54.28 3iyd s ARG 90 Cb -0.01 -0.75 1.78 0.00 0.52 0.00 0.00 34.95 36.50 3iyd s ARG 90 CO 0.11 0.08 2.16 -2.13 0.02 0.00 0.00 175.30 175.54