#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1siy s THR 2 N 0.00 0.80 -2.00 1.12 -1.32 -1.26 -4.99 115.64 108.00 1siy s THR 2 Ca 0.00 -1.99 0.10 0.00 -1.21 0.00 0.00 61.69 58.59 1siy s THR 2 Cb 0.00 -2.01 0.27 0.00 -1.51 0.00 0.00 72.50 69.26 1siy s THR 2 CO 0.00 -0.59 1.01 0.00 -2.21 0.00 0.00 174.62 172.83 1siy n GLY 4 N -0.06 -1.19 0.12 0.00 0.00 -1.26 -2.48 105.19 100.33 1siy n GLY 4 Ca 0.07 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1siy n GLY 4 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1siy h GLN 5 N 0.00 0.31 0.00 1.61 4.15 -1.04 -2.08 115.11 118.06 1siy h GLN 5 Ca 0.00 -0.17 -0.07 0.00 0.77 0.00 0.00 58.65 59.18 1siy h GLN 5 Cb 0.98 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1siy h GLN 5 CO 0.00 0.73 -0.34 0.28 -1.93 0.00 0.00 178.83 177.56 1siy h VAL 6 N -0.10 1.09 0.00 2.39 2.07 -1.67 -0.33 116.25 119.70 1siy h VAL 6 Ca 0.02 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1siy h VAL 6 Cb 0.68 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1siy h VAL 6 CO 0.03 0.34 0.00 1.67 0.02 0.00 0.00 177.57 179.63 1siy n GLN 7 N -3.91 0.01 0.03 1.57 7.27 -1.03 -0.33 117.38 120.98 1siy n GLN 7 Ca -0.02 0.21 -0.16 0.00 0.07 0.00 0.00 57.00 57.11 1siy n GLN 7 Cb 0.41 -1.52 -0.05 0.00 2.41 0.00 0.00 30.24 31.49 1siy n GLN 7 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1siy h GLY 8 N 2.94 0.68 0.95 1.69 0.00 -0.33 0.73 103.07 109.73 1siy h GLY 8 Ca 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 47.33 46.23 1siy h GLY 8 CO 0.00 0.93 -0.46 -0.57 0.00 0.00 0.00 176.54 176.45 1siy h ASN 9 N 0.39 -1.08 -0.44 0.19 -0.73 -1.07 -3.32 115.58 109.52 1siy h ASN 9 Ca -0.07 0.04 0.02 0.00 1.87 0.00 0.00 56.30 58.15 1siy h ASN 9 Cb 1.49 0.28 -0.03 0.00 0.27 0.00 0.00 38.32 40.33 1siy h ASN 9 CO 0.16 -0.74 0.27 -0.07 -0.37 0.00 0.00 177.43 176.68 1siy h LEU 10 N -1.34 0.45 -2.15 0.34 4.07 -0.72 -2.65 115.31 113.30 1siy h LEU 10 Ca -0.13 -0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.84 1siy h LEU 10 Cb 0.98 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.62 1siy h LEU 10 CO 0.21 0.32 0.03 0.00 -1.08 0.00 0.00 178.44 177.92 1siy h ALA 11 N 1.19 1.88 0.19 1.53 0.00 -0.98 0.45 119.26 123.53 1siy h ALA 11 Ca 0.17 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 1siy h ALA 11 Cb -0.01 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1siy h ALA 11 CO -0.07 -0.05 -1.55 1.96 0.00 0.00 0.00 179.25 179.54 1siy h GLN 12 N 0.00 0.40 0.00 0.00 1.08 -1.57 -3.35 115.11 111.67 1siy h GLN 12 Ca 0.02 -0.69 -0.03 0.00 -1.45 0.00 0.00 58.65 56.49 1siy h GLN 12 Cb 0.07 0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1siy h GLN 12 CO -0.00 1.31 -0.53 0.00 -0.95 0.00 0.00 178.83 178.67 1siy h ILE 14 N 0.00 0.32 0.00 0.00 2.04 -0.28 0.57 117.51 120.16 1siy h ILE 14 Ca -0.02 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1siy h ILE 14 Cb 1.12 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1siy h ILE 14 CO 0.02 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.81 1siy n GLY 15 N -1.60 1.78 0.54 5.37 0.00 -1.24 -1.04 105.19 109.00 1siy n GLY 15 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1siy n GLY 15 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1siy n PHE 16 N 0.41 -0.60 -0.19 1.61 7.35 0.17 -4.68 117.46 121.52 1siy n PHE 16 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1siy n PHE 16 Cb 0.42 0.14 -0.04 0.00 0.35 0.00 0.00 39.48 40.34 1siy n PHE 16 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1siy h LEU 17 N 0.00 -1.51 0.05 -2.13 5.85 0.11 -2.13 115.31 115.55 1siy h LEU 17 Ca 0.00 0.24 -0.18 0.00 0.84 0.00 0.00 57.88 58.79 1siy h LEU 17 Cb 0.00 0.68 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1siy h LEU 17 CO 0.00 -0.34 -0.92 -0.61 -0.34 0.00 0.00 178.44 176.23 1siy h GLN 18 N -0.25 0.10 0.00 1.25 4.15 -0.78 -3.35 115.11 116.23 1siy h GLN 18 Ca 0.17 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1siy h GLN 18 Cb 0.57 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.32 1siy h GLN 18 CO -0.67 1.08 0.00 1.17 -1.93 0.00 0.00 178.83 178.48 1siy n LYS 19 N -4.30 0.00 0.00 1.69 4.81 -1.23 -4.93 118.16 114.20 1siy n LYS 19 Ca -0.22 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 1siy n LYS 19 Cb 0.70 -0.44 0.00 0.00 0.02 0.00 0.00 35.03 35.32 1siy n LYS 19 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1siy n GLY 20 N 2.44 4.66 0.00 3.14 0.00 -0.80 -4.98 105.19 109.64 1siy n GLY 20 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1siy n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1siy n GLY 21 N -1.15 -0.94 3.33 -0.02 0.00 -1.26 -4.90 105.19 100.26 1siy n GLY 21 Ca 0.00 0.35 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 1siy n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1siy s VAL 22 N 0.00 1.74 -0.25 1.61 -7.23 -1.26 -5.09 120.40 109.91 1siy s VAL 22 Ca 0.00 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.01 1siy s VAL 22 Cb 0.00 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1siy s VAL 22 CO 0.00 -0.44 0.33 -0.69 -0.31 0.00 0.00 175.10 173.99 1siy s VAL 23 N -2.43 5.22 0.15 1.32 1.01 -1.26 -4.67 120.40 119.75 1siy s VAL 23 Ca 0.18 0.50 -0.26 0.00 0.00 0.00 0.00 61.98 62.39 1siy s VAL 23 Cb -0.04 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 1siy s VAL 23 CO 0.06 0.22 0.80 -2.16 0.00 0.00 0.00 175.10 174.03 1siy s PRO 24 N 1.71 4.60 0.21 2.72 0.05 -1.26 -4.94 135.00 138.08 1siy s PRO 24 Ca 0.14 1.20 0.13 0.00 0.05 0.00 0.00 61.00 62.52 1siy s PRO 24 Cb -0.15 -3.28 0.71 0.00 0.05 0.00 0.00 34.50 31.82 1siy s PRO 24 CO 0.09 0.50 1.37 -2.30 0.05 0.00 0.00 177.00 176.71 1siy n PRO 25 N 1.82 0.08 0.01 0.56 -0.02 -1.26 -1.01 135.00 135.19 1siy n PRO 25 Ca -0.04 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 1siy n PRO 25 Cb 0.49 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 32.06 1siy n PRO 25 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1siy h SER 26 N 0.00 -0.12 -0.39 2.55 0.02 -1.96 -0.01 113.55 113.64 1siy h SER 26 Ca 0.00 -0.44 0.08 0.00 -0.84 0.00 0.00 61.79 60.59 1siy h SER 26 Cb 0.10 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.59 1siy h SER 26 CO 0.00 0.52 -0.16 0.00 -1.14 0.00 0.00 176.83 176.04 1siy h THR 29 N 1.06 1.19 -0.63 0.00 2.02 -0.31 -1.17 112.91 115.07 1siy h THR 29 Ca 0.44 -0.56 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 1siy h THR 29 Cb 0.28 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1siy h THR 29 CO -0.19 0.21 0.03 1.23 0.37 0.00 0.00 175.52 177.18 1siy h GLY 30 N 0.57 1.17 1.00 2.16 0.00 -0.02 0.37 103.07 108.32 1siy h GLY 30 Ca 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1siy h GLY 30 CO -0.02 0.77 0.41 -2.08 0.00 0.00 0.00 176.54 175.63 1siy h VAL 31 N 1.00 1.18 -0.05 4.60 2.07 -0.95 -1.04 116.25 123.06 1siy h VAL 31 Ca 0.18 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1siy h VAL 31 Cb 0.53 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1siy h VAL 31 CO 0.03 0.18 -0.25 0.50 0.02 0.00 0.00 177.57 178.05 1siy h LYS 32 N 0.89 0.08 -0.68 1.57 3.64 -0.54 -1.94 116.57 119.59 1siy h LYS 32 Ca 0.24 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 1siy h LYS 32 Cb -0.06 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1siy h LYS 32 CO -0.05 0.32 0.16 -0.91 -2.27 0.00 0.00 179.45 176.71 1siy h ASN 33 N 0.07 1.04 0.46 4.20 4.21 0.79 0.41 115.58 126.76 1siy h ASN 33 Ca 0.01 -0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.29 1siy h ASN 33 Cb 0.48 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.40 1siy h ASN 33 CO 0.03 1.00 0.00 0.00 -1.29 0.00 0.00 177.43 177.18 1siy n ILE 34 N -4.26 0.93 0.05 2.81 0.13 -0.50 0.59 119.36 119.11 1siy n ILE 34 Ca 0.05 0.23 0.01 0.00 -1.10 0.00 0.00 62.75 61.94 1siy n ILE 34 Cb 0.26 -0.98 0.02 0.00 -0.84 0.00 0.00 39.64 38.09 1siy n ILE 34 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1siy n LEU 35 N -1.46 1.56 0.00 9.51 4.77 -0.61 -4.48 117.00 126.28 1siy n LEU 35 Ca 0.04 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 1siy n LEU 35 Cb 0.16 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1siy n LEU 35 CO 0.13 0.37 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.35 1siy n ASN 36 N -0.01 0.03 0.00 -1.43 2.85 0.04 -4.83 115.26 111.90 1siy n ASN 36 Ca 0.02 0.00 0.15 0.00 -0.11 0.00 0.00 54.58 54.63 1siy n ASN 36 Cb 0.14 0.00 0.84 0.00 1.24 0.00 0.00 39.78 42.01 1siy n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1siy n SER 37 N -2.29 0.00 -4.55 1.20 7.64 0.20 -4.61 113.62 111.20 1siy n SER 37 Ca 0.00 -0.74 -0.30 0.00 1.01 0.00 0.00 58.87 58.84 1siy n SER 37 Cb 0.02 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.11 1siy n SER 37 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1siy s SER 38 N -2.14 4.43 0.00 6.43 0.01 -1.15 -4.87 113.70 116.42 1siy s SER 38 Ca 0.40 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1siy s SER 38 Cb 0.20 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1siy s SER 38 CO 0.37 -3.08 0.94 -1.14 0.41 0.00 0.00 173.24 170.73 1siy n ARG 39 N 8.98 0.00 -3.23 12.44 0.63 -1.26 -4.75 116.66 129.46 1siy n ARG 39 Ca 0.38 0.56 -0.17 0.00 -0.92 0.00 0.00 57.85 57.70 1siy n ARG 39 Cb 0.51 -1.44 -0.02 0.00 0.45 0.00 0.00 32.46 31.96 1siy n ARG 39 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1siy n THR 40 N -2.03 0.00 -0.34 5.15 -2.24 -1.26 -4.95 114.28 108.61 1siy n THR 40 Ca 0.00 -1.28 -0.02 0.00 -2.27 0.00 0.00 64.05 60.49 1siy n THR 40 Cb 0.00 0.09 0.13 0.00 -2.10 0.00 0.00 70.33 68.45 1siy n THR 40 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1siy h THR 41 N 0.95 1.25 0.00 4.28 2.02 -1.91 0.40 112.91 119.89 1siy h THR 41 Ca -0.22 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1siy h THR 41 Cb 0.70 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1siy h THR 41 CO 0.36 0.25 0.00 0.00 0.37 0.00 0.00 175.52 176.50 1siy h ALA 42 N 1.38 1.00 0.14 6.16 0.00 -1.94 0.75 119.26 126.74 1siy h ALA 42 Ca 0.34 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.91 1siy h ALA 42 Cb -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1siy h ALA 42 CO -0.07 0.00 -1.76 -0.44 0.00 0.00 0.00 179.25 176.99 1siy h ASP 43 N 0.00 0.45 0.40 0.00 3.32 -1.51 -3.35 116.42 115.73 1siy h ASP 43 Ca 0.00 -0.75 -0.02 0.00 0.02 0.00 0.00 57.03 56.28 1siy h ASP 43 Cb 0.47 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1siy h ASP 43 CO 0.00 1.65 -0.19 0.03 -1.72 0.00 0.00 179.24 179.00 1siy h ARG 44 N 0.08 -0.51 -1.22 3.56 3.08 0.28 0.04 114.38 119.68 1siy h ARG 44 Ca -0.33 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1siy h ARG 44 Cb 2.05 0.12 0.00 0.00 0.08 0.00 0.00 29.97 32.22 1siy h ARG 44 CO 0.14 -0.22 0.00 0.54 -1.07 0.00 0.00 179.97 179.37 1siy n ARG 45 N -5.21 1.00 0.00 0.04 1.74 0.21 -2.38 116.66 112.05 1siy n ARG 45 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1siy n ARG 45 Cb 0.28 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 1siy n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1siy n ALA 46 N 0.72 2.39 -0.32 7.54 0.00 -1.16 -4.78 120.51 124.89 1siy n ALA 46 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1siy n ALA 46 Cb 0.50 0.07 0.09 0.00 0.00 0.00 0.00 19.45 20.11 1siy n ALA 46 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1siy h VAL 47 N 0.00 1.26 -0.63 0.00 3.04 -0.60 -2.40 116.25 116.92 1siy h VAL 47 Ca 0.00 -0.68 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 1siy h VAL 47 Cb 0.15 0.09 -0.03 0.00 -2.01 0.00 0.00 31.29 29.49 1siy h VAL 47 CO 0.00 0.30 0.37 0.00 -1.01 0.00 0.00 177.57 177.23 1siy h SER 49 N 0.85 -0.17 -0.58 0.00 0.02 -1.76 0.19 113.55 112.10 1siy h SER 49 Ca 0.22 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1siy h SER 49 Cb 0.00 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1siy h SER 49 CO -0.04 -0.11 0.27 0.00 -1.14 0.00 0.00 176.83 175.81 1siy h LEU 51 N 0.79 0.15 -0.68 0.00 6.46 -0.80 -2.32 115.31 118.91 1siy h LEU 51 Ca 0.20 -0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.75 1siy h LEU 51 Cb 0.13 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1siy h LEU 51 CO -0.02 0.22 -0.50 0.07 -0.62 0.00 0.00 178.44 177.58 1siy h LYS 52 N 0.08 0.00 -0.29 1.25 2.10 -0.79 -2.85 116.57 116.07 1siy h LYS 52 Ca 0.04 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.59 1siy h LYS 52 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 1siy h LYS 52 CO -0.01 0.50 -0.26 0.00 -2.00 0.00 0.00 179.45 177.69 1siy h ALA 53 N 1.50 1.01 -0.40 0.07 0.00 -0.71 -2.80 119.26 117.93 1siy h ALA 53 Ca -0.00 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.61 1siy h ALA 53 Cb 1.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1siy h ALA 53 CO 0.06 0.59 0.28 0.00 0.00 0.00 0.00 179.25 180.18 1siy h ALA 54 N 1.22 2.07 0.00 0.00 0.00 -1.17 0.72 119.26 122.10 1siy h ALA 54 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1siy h ALA 54 Cb 0.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1siy h ALA 54 CO 0.05 -0.15 -0.23 0.00 0.00 0.00 0.00 179.25 178.92 1siy h ALA 55 N 1.79 1.59 0.00 0.00 0.00 -1.56 0.50 119.26 121.58 1siy h ALA 55 Ca 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1siy h ALA 55 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1siy h ALA 55 CO -0.03 0.29 -1.84 0.41 0.00 0.00 0.00 179.25 178.07 1siy n GLY 56 N -0.84 -0.79 0.14 0.00 0.00 -0.01 -4.51 105.19 99.18 1siy n GLY 56 Ca -0.02 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1siy n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1siy h ALA 57 N 1.45 -0.06 -2.90 4.61 0.00 0.47 -3.44 119.26 119.38 1siy h ALA 57 Ca -0.07 -0.91 -0.68 0.00 0.00 0.00 0.00 54.91 53.24 1siy h ALA 57 Cb 1.00 0.25 -0.24 0.00 0.00 0.00 0.00 17.79 18.80 1siy h ALA 57 CO 0.00 0.72 -0.57 0.08 0.00 0.00 0.00 179.25 179.49 1siy s VAL 58 N -2.56 4.44 -0.71 0.00 1.01 0.15 -4.91 120.40 117.82 1siy s VAL 58 Ca -0.12 -0.56 0.25 0.00 0.00 0.00 0.00 61.98 61.56 1siy s VAL 58 Cb 0.04 -3.31 0.27 0.00 0.00 0.00 0.00 36.38 33.38 1siy s VAL 58 CO 0.90 0.02 1.77 -2.11 0.00 0.00 0.00 175.10 175.68 1siy n ARG 59 N 4.96 0.20 -0.11 2.72 1.85 -1.26 -1.56 116.66 123.46 1siy n ARG 59 Ca -0.14 0.24 0.06 0.00 -1.00 0.00 0.00 57.85 57.02 1siy n ARG 59 Cb 0.48 -1.77 0.23 0.00 -1.05 0.00 0.00 32.46 30.35 1siy n ARG 59 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1siy n GLY 60 N 0.96 0.16 0.22 2.89 0.00 -1.26 -3.10 105.19 105.06 1siy n GLY 60 Ca 0.05 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.86 1siy n GLY 60 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1siy h ILE 61 N 1.61 0.42 -6.17 -0.61 6.09 -1.52 -2.76 117.51 114.56 1siy h ILE 61 Ca 0.00 -1.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.32 1siy h ILE 61 Cb 0.36 1.86 -0.00 0.00 0.47 0.00 0.00 36.82 39.51 1siy h ILE 61 CO 0.00 0.19 -0.16 0.59 -3.07 0.00 0.00 178.15 175.70 1siy n ASN 62 N -3.27 -7.40 -0.34 2.19 3.02 -1.18 -3.10 115.26 105.19 1siy n ASN 62 Ca 0.01 0.89 0.26 0.00 -0.03 0.00 0.00 54.58 55.71 1siy n ASN 62 Cb 0.47 -1.62 0.50 0.00 -0.61 0.00 0.00 39.78 38.53 1siy n ASN 62 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1siy h PRO 63 N 4.86 0.25 -0.84 3.52 0.11 -1.92 0.64 132.00 138.62 1siy h PRO 63 Ca -0.01 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.16 1siy h PRO 63 Cb 0.16 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.14 1siy h PRO 63 CO 0.00 0.17 0.50 -0.91 -0.21 0.00 0.00 178.00 177.55 1siy h ASN 64 N 0.26 0.76 0.50 -2.05 4.21 -1.96 0.31 115.58 117.61 1siy h ASN 64 Ca 0.76 0.03 -0.29 0.00 1.21 0.00 0.00 56.30 58.00 1siy h ASN 64 Cb 1.82 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 38.85 1siy h ASN 64 CO -0.62 0.47 -1.65 0.78 -1.29 0.00 0.00 177.43 175.12 1siy h ASN 65 N 0.89 0.09 -0.30 5.81 2.35 -0.10 -2.47 115.58 121.85 1siy h ASN 65 Ca 0.38 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1siy h ASN 65 Cb 0.26 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1siy h ASN 65 CO -0.20 1.16 -0.06 0.00 -1.65 0.00 0.00 177.43 176.68 1siy h ALA 66 N 0.83 1.15 0.02 -0.83 0.00 -0.44 0.43 119.26 120.42 1siy h ALA 66 Ca -0.27 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.15 1siy h ALA 66 Cb 1.99 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 1siy h ALA 66 CO 0.09 0.54 -1.07 1.49 0.00 0.00 0.00 179.25 180.31 1siy h GLU 67 N 0.63 0.04 0.00 0.00 4.81 -1.03 -3.25 114.58 115.78 1siy h GLU 67 Ca 0.12 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1siy h GLU 67 Cb 0.48 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1siy h GLU 67 CO 0.02 1.02 -0.28 0.00 -0.73 0.00 0.00 179.01 179.04 1siy h ALA 68 N 0.93 1.00 0.70 2.92 0.00 -1.04 -3.33 119.26 120.43 1siy h ALA 68 Ca -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1siy h ALA 68 Cb 1.81 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1siy h ALA 68 CO 0.14 0.35 -0.40 1.25 0.00 0.00 0.00 179.25 180.59 1siy h LEU 69 N 0.00 -0.98 -0.18 0.00 5.85 -0.95 -1.63 115.31 117.42 1siy h LEU 69 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1siy h LEU 69 Cb 0.83 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1siy h LEU 69 CO 0.04 -0.63 0.00 -0.81 -0.34 0.00 0.00 178.44 176.70 1siy n PRO 70 N -4.92 0.03 0.04 5.25 -0.04 -1.25 -2.18 135.00 131.91 1siy n PRO 70 Ca -0.12 0.40 -0.02 0.00 -0.04 0.00 0.00 63.50 63.71 1siy n PRO 70 Cb 0.41 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.29 1siy n PRO 70 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1siy h GLY 71 N 1.25 -0.16 1.72 0.55 0.00 -1.49 -1.60 103.07 103.34 1siy h GLY 71 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1siy h GLY 71 CO 0.00 -0.06 0.05 0.50 0.00 0.00 0.00 176.54 177.03 1siy h LYS 72 N -0.65 0.37 -0.01 4.80 6.56 -1.24 -1.95 116.57 124.45 1siy h LYS 72 Ca -0.02 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1siy h LYS 72 Cb 0.12 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 1siy h LYS 72 CO 0.03 0.35 -0.03 0.00 -2.06 0.00 0.00 179.45 177.73 1siy n GLY 74 N 1.15 -0.30 2.73 0.00 0.00 -0.73 -4.93 105.19 103.11 1siy n GLY 74 Ca 0.19 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1siy n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1siy n VAL 75 N -4.09 3.32 -2.92 1.61 0.24 -0.61 -4.99 118.33 110.89 1siy n VAL 75 Ca -0.16 -5.40 -0.44 0.00 -2.04 0.00 0.00 64.34 56.30 1siy n VAL 75 Cb 0.63 -2.15 -0.03 0.00 -1.47 0.00 0.00 33.84 30.82 1siy n VAL 75 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1siy s ASN 76 N -1.83 6.43 0.31 -1.34 2.47 -1.26 -4.76 114.94 114.96 1siy s ASN 76 Ca 0.34 -1.62 0.07 0.00 0.42 0.00 0.00 52.86 52.08 1siy s ASN 76 Cb 0.07 -2.40 -0.02 0.00 -1.45 0.00 0.00 41.25 37.45 1siy s ASN 76 CO -0.00 -1.20 0.32 0.27 -3.72 0.00 0.00 177.10 172.77 1siy s ILE 77 N 3.17 3.94 0.11 -5.21 -0.00 -1.26 -5.06 121.20 116.89 1siy s ILE 77 Ca 0.27 -1.26 -0.32 0.00 -0.00 0.00 0.00 60.65 59.34 1siy s ILE 77 Cb -0.11 -3.32 -0.11 0.00 -0.00 0.00 0.00 42.46 38.92 1siy s ILE 77 CO -0.01 -0.21 1.58 -0.65 -0.00 0.00 0.00 174.94 175.64 1siy h PRO 78 N 1.20 -0.66 -7.26 0.37 0.11 -2.04 -3.42 132.00 120.30 1siy h PRO 78 Ca -0.46 0.04 -0.50 0.00 0.11 0.00 0.00 66.00 65.19 1siy h PRO 78 Cb 1.25 0.15 0.08 0.00 0.11 0.00 0.00 31.00 32.59 1siy h PRO 78 CO 0.58 -0.44 0.37 1.52 -0.21 0.00 0.00 178.00 179.82 1siy s TYR 79 N -5.86 2.97 0.09 0.65 -0.85 -1.26 -5.03 117.35 108.06 1siy s TYR 79 Ca -0.16 1.49 0.01 0.00 -0.52 0.00 0.00 57.07 57.88 1siy s TYR 79 Cb 0.07 -2.98 -0.00 0.00 0.38 0.00 0.00 41.96 39.43 1siy s TYR 79 CO 0.62 -1.26 0.04 1.63 -1.52 0.00 0.00 175.55 175.07 1siy n LYS 80 N -2.58 0.62 0.15 -3.49 4.76 -1.26 -5.02 118.16 111.33 1siy n LYS 80 Ca 0.08 -0.78 0.13 0.00 -2.87 0.00 0.00 58.31 54.87 1siy n LYS 80 Cb 0.53 0.49 0.51 0.00 -1.84 0.00 0.00 35.03 34.72 1siy n LYS 80 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1siy h ILE 81 N 1.18 0.00 -2.61 -0.18 6.09 -1.94 -3.45 117.51 116.61 1siy h ILE 81 Ca -0.07 -0.28 -0.55 0.00 -1.37 0.00 0.00 64.86 62.59 1siy h ILE 81 Cb 0.28 1.06 0.06 0.00 0.47 0.00 0.00 36.82 38.69 1siy h ILE 81 CO 0.10 0.00 0.91 -1.20 -3.07 0.00 0.00 178.15 174.89 1siy n SER 82 N -2.34 3.62 0.27 2.19 7.64 -1.26 -4.57 113.62 119.17 1siy n SER 82 Ca 0.02 1.08 0.16 0.00 1.01 0.00 0.00 58.87 61.15 1siy n SER 82 Cb 0.25 -1.52 0.71 0.00 -1.01 0.00 0.00 64.21 62.65 1siy n SER 82 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1siy h THR 83 N 3.64 0.17 -0.49 0.44 1.35 -1.87 -1.73 112.91 114.42 1siy h THR 83 Ca -0.44 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1siy h THR 83 Cb 1.23 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1siy h THR 83 CO 0.90 0.06 0.00 -1.20 -0.25 0.00 0.00 175.52 175.03 1siy n SER 84 N -3.21 3.45 -4.73 5.36 7.64 -1.26 -4.96 113.62 115.90 1siy n SER 84 Ca -0.00 -2.25 -0.34 0.00 1.01 0.00 0.00 58.87 57.29 1siy n SER 84 Cb 0.29 -0.46 0.09 0.00 -1.01 0.00 0.00 64.21 63.12 1siy n SER 84 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1siy s THR 85 N -1.65 2.54 -0.37 0.44 -1.32 -0.65 -4.84 115.64 109.79 1siy s THR 85 Ca 0.37 0.26 -0.06 0.00 -1.21 0.00 0.00 61.69 61.05 1siy s THR 85 Cb 0.23 -2.78 -0.18 0.00 -1.51 0.00 0.00 72.50 68.25 1siy s THR 85 CO 0.20 -0.15 2.98 -0.46 -2.21 0.00 0.00 174.62 174.98 1siy n ASN 86 N -2.74 5.17 -0.36 8.08 0.23 -1.26 -4.63 115.26 119.75 1siy n ASN 86 Ca 0.12 -2.36 0.10 0.00 -0.53 0.00 0.00 54.58 51.92 1siy n ASN 86 Cb 0.51 -1.24 0.28 0.00 -2.08 0.00 0.00 39.78 37.25 1siy n ASN 86 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1siy n ASN 88 N -4.69 1.65 -0.39 0.00 2.85 -1.26 -3.70 115.26 109.71 1siy n ASN 88 Ca 0.21 -1.42 0.05 0.00 -0.11 0.00 0.00 54.58 53.31 1siy n ASN 88 Cb 0.47 0.07 0.05 0.00 1.24 0.00 0.00 39.78 41.61 1siy n ASN 88 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1siy n SER 89 N 0.13 1.86 0.06 1.20 7.64 0.23 -4.49 113.62 120.25 1siy n SER 89 Ca 0.16 -1.44 -0.12 0.00 1.01 0.00 0.00 58.87 58.47 1siy n SER 89 Cb 0.40 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.56 1siy n SER 89 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1siy h ILE 90 N 1.85 1.39 0.00 0.44 3.07 -1.28 -3.50 117.51 119.47 1siy h ILE 90 Ca 0.00 -2.35 0.00 0.00 1.55 0.00 0.00 64.86 64.06 1siy h ILE 90 Cb 0.42 2.32 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 1siy h ILE 90 CO 0.00 0.70 0.00 0.59 -1.05 0.00 0.00 178.15 178.39