#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 0.95 -1.65 1.12 -4.23 -1.26 -4.99 115.64 105.58 1siy s THR 2 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1siy s THR 2 Cb 0.00 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1siy s THR 2 CO 0.00 0.00 0.82 0.00 -0.54 0.00 0.00 174.62 174.90 1siy n GLY 4 N 0.32 -0.55 0.17 0.00 0.00 -1.26 -3.92 105.19 99.94 1siy n GLY 4 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 0.50 -0.04 1.61 4.15 -1.80 -2.09 115.11 117.45 1siy h GLN 5 Ca -0.12 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.16 1siy h GLN 5 Cb 0.98 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 1siy h GLN 5 CO 0.01 0.52 -0.19 0.28 -1.93 0.00 0.00 178.83 177.52 1siy h VAL 6 N 0.38 1.16 -0.63 2.39 2.07 -1.76 -2.32 116.25 117.54 1siy h VAL 6 Ca 0.11 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1siy h VAL 6 Cb 0.22 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1siy h VAL 6 CO -0.01 0.22 0.33 1.56 0.02 0.00 0.00 177.57 179.69 1siy h GLN 7 N 0.06 0.89 0.00 1.57 1.08 -1.54 0.62 115.11 117.79 1siy h GLN 7 Ca 0.01 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1siy h GLN 7 Cb 0.37 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1siy h GLN 7 CO 0.03 0.69 0.00 0.41 -0.95 0.00 0.00 178.83 179.01 1siy n GLY 8 N -1.01 -0.78 0.01 3.46 0.00 -0.84 0.89 105.19 106.92 1siy n GLY 8 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 1siy n GLY 8 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1siy h ASN 9 N 0.00 0.00 0.96 1.61 -0.73 -1.00 -3.37 115.58 113.05 1siy h ASN 9 Ca 0.00 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 57.98 1siy h ASN 9 Cb 0.14 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.70 1siy h ASN 9 CO 0.00 0.10 -0.88 -0.07 -0.37 0.00 0.00 177.43 176.20 1siy h LEU 10 N -0.15 0.00 -1.27 0.34 3.38 -0.65 -3.01 115.31 113.95 1siy h LEU 10 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1siy h LEU 10 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1siy h LEU 10 CO 0.00 0.88 -0.29 0.00 0.09 0.00 0.00 178.44 179.13 1siy h ALA 11 N 1.12 1.40 -0.05 1.53 0.00 0.31 0.33 119.26 123.89 1siy h ALA 11 Ca -0.01 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.37 1siy h ALA 11 Cb 1.60 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.34 1siy h ALA 11 CO 0.11 0.43 -0.89 1.96 0.00 0.00 0.00 179.25 180.87 1siy h GLN 12 N 0.11 0.69 0.00 0.00 1.08 -1.64 -3.27 115.11 112.07 1siy h GLN 12 Ca 0.02 -0.67 -0.07 0.00 -1.45 0.00 0.00 58.65 56.48 1siy h GLN 12 Cb 0.57 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 1siy h GLN 12 CO 0.04 1.27 -0.32 0.00 -0.95 0.00 0.00 178.83 178.87 1siy h ILE 14 N 0.00 0.54 0.00 0.00 2.04 -0.40 0.91 117.51 120.59 1siy h ILE 14 Ca -0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1siy h ILE 14 Cb 1.10 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1siy h ILE 14 CO 0.04 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.86 1siy n GLY 15 N -1.53 1.21 0.78 5.37 0.00 -1.21 -0.27 105.19 109.53 1siy n GLY 15 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.11 -0.33 -0.22 1.61 7.35 0.37 -3.63 117.46 122.72 1siy n PHE 16 Ca 0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.72 1siy n PHE 16 Cb 0.20 0.20 0.14 0.00 0.35 0.00 0.00 39.48 40.37 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 0.04 0.00 -2.13 5.85 0.92 -1.54 115.31 118.44 1siy h LEU 17 Ca 0.00 0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 1siy h LEU 17 Cb 0.00 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1siy h LEU 17 CO 0.00 0.01 -1.09 1.67 -0.34 0.00 0.00 178.44 178.69 1siy n GLN 18 N -5.12 0.53 -3.99 1.25 7.27 0.63 -1.35 117.38 116.60 1siy n GLN 18 Ca 0.11 0.53 -0.31 0.00 0.07 0.00 0.00 57.00 57.41 1siy n GLN 18 Cb 0.38 -1.71 -0.15 0.00 2.41 0.00 0.00 30.24 31.17 1siy n GLN 18 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1siy s LYS 19 N -2.35 1.42 -1.10 3.69 -2.85 -1.20 -4.39 119.74 112.96 1siy s LYS 19 Ca -0.25 -1.79 -0.23 0.00 -1.00 0.00 0.00 55.97 52.70 1siy s LYS 19 Cb 0.05 -3.08 -0.12 0.00 -2.06 0.00 0.00 37.83 32.62 1siy s LYS 19 CO 0.46 -0.94 1.94 0.41 0.10 0.00 0.00 175.35 177.32 1siy n GLY 20 N 4.31 1.06 0.07 0.59 0.00 -0.58 -2.66 105.19 107.98 1siy n GLY 20 Ca 0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 1siy n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1siy h GLY 21 N 17.73 0.00 -4.44 -0.02 0.00 -1.80 -3.49 103.07 111.05 1siy h GLY 21 Ca 0.23 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.72 1siy h GLY 21 CO 1.31 0.00 0.72 0.54 0.00 0.00 0.00 176.54 179.11 1siy s VAL 22 N -1.96 0.00 -0.45 4.60 0.11 -1.26 -5.09 120.40 116.35 1siy s VAL 22 Ca -0.11 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.73 1siy s VAL 22 Cb 0.01 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1siy s VAL 22 CO 0.27 0.00 0.65 -0.69 -3.33 0.00 0.00 175.10 172.00 1siy s VAL 23 N -1.39 4.82 0.65 2.04 1.01 -1.26 -4.59 120.40 121.68 1siy s VAL 23 Ca 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 1siy s VAL 23 Cb -0.01 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1siy s VAL 23 CO -0.03 -0.65 1.05 -2.16 0.00 0.00 0.00 175.10 173.30 1siy s PRO 24 N 2.84 3.24 0.00 2.72 0.04 -1.26 -4.93 135.00 137.66 1siy s PRO 24 Ca 0.22 0.90 0.08 0.00 0.04 0.00 0.00 61.00 62.23 1siy s PRO 24 Cb -0.15 -2.03 0.45 0.00 0.04 0.00 0.00 34.50 32.81 1siy s PRO 24 CO 0.18 -0.86 0.89 -0.35 0.04 0.00 0.00 177.00 176.90 1siy n PRO 25 N -2.85 0.47 -0.08 0.56 -0.04 -1.26 -2.69 135.00 129.10 1siy n PRO 25 Ca 0.07 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1siy n PRO 25 Cb 0.54 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.70 1siy n PRO 25 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1siy n SER 26 N -0.75 1.83 -0.08 3.54 7.64 -1.26 -2.75 113.62 121.79 1siy n SER 26 Ca 0.06 0.55 -0.08 0.00 1.01 0.00 0.00 58.87 60.41 1siy n SER 26 Cb 0.03 -0.90 -0.01 0.00 -1.01 0.00 0.00 64.21 62.32 1siy n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1siy h THR 29 N -0.35 0.93 -0.63 0.00 2.02 -1.20 0.18 112.91 113.87 1siy h THR 29 Ca 0.10 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 1siy h THR 29 Cb 0.49 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1siy h THR 29 CO -0.31 0.09 0.10 1.23 0.37 0.00 0.00 175.52 177.00 1siy h GLY 30 N 0.50 1.12 0.94 2.16 0.00 -0.41 0.24 103.07 107.62 1siy h GLY 30 Ca 0.24 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1siy h GLY 30 CO -0.18 0.69 -0.20 -2.08 0.00 0.00 0.00 176.54 174.78 1siy h VAL 31 N 0.95 0.60 0.00 4.60 2.07 -0.35 -1.14 116.25 122.99 1siy h VAL 31 Ca 0.19 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1siy h VAL 31 Cb 0.43 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1siy h VAL 31 CO 0.01 0.02 -0.08 0.50 0.02 0.00 0.00 177.57 178.05 1siy h LYS 32 N -0.61 0.00 0.36 1.57 3.64 -0.54 -1.33 116.57 119.66 1siy h LYS 32 Ca -0.06 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1siy h LYS 32 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1siy h LYS 32 CO 0.09 0.08 -0.17 -0.97 -2.27 0.00 0.00 179.45 176.21 1siy h ASN 33 N 0.00 -0.41 0.14 4.20 -1.24 -0.15 0.55 115.58 118.67 1siy h ASN 33 Ca -0.00 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 1siy h ASN 33 Cb 0.17 0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.32 1siy h ASN 33 CO 0.01 -0.04 -0.04 0.40 -1.29 0.00 0.00 177.43 176.47 1siy h ILE 34 N -0.83 0.44 0.01 2.57 5.03 -0.76 0.27 117.51 124.24 1siy h ILE 34 Ca -0.05 -0.18 -0.32 0.00 -0.12 0.00 0.00 64.86 64.18 1siy h ILE 34 Cb 0.53 1.12 -0.04 0.00 -3.03 0.00 0.00 36.82 35.40 1siy h ILE 34 CO 0.08 0.04 -1.79 0.18 -0.68 0.00 0.00 178.15 175.98 1siy n LEU 35 N -3.63 2.03 -0.12 1.44 4.77 -0.54 -4.24 117.00 116.71 1siy n LEU 35 Ca -0.03 0.35 -0.22 0.00 -0.03 0.00 0.00 56.01 56.08 1siy n LEU 35 Cb 0.13 -0.94 -0.10 0.00 -2.33 0.00 0.00 43.42 40.19 1siy n LEU 35 CO 0.27 0.46 -1.31 0.59 -1.33 0.00 0.00 177.39 176.08 1siy n ASN 36 N -4.22 1.92 -0.07 -1.43 3.02 0.19 -4.47 115.26 110.21 1siy n ASN 36 Ca -0.40 0.13 0.09 0.00 -0.03 0.00 0.00 54.58 54.38 1siy n ASN 36 Cb 0.80 -0.58 0.52 0.00 -0.61 0.00 0.00 39.78 39.91 1siy n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1siy n SER 37 N -3.73 0.21 0.23 6.41 7.64 0.19 -3.34 113.62 121.24 1siy n SER 37 Ca -0.45 -1.46 -0.15 0.00 1.01 0.00 0.00 58.87 57.81 1siy n SER 37 Cb 0.88 -0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.98 1siy n SER 37 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1siy h SER 38 N 0.28 -0.46 0.00 6.43 4.64 -0.77 -3.46 113.55 120.20 1siy h SER 38 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1siy h SER 38 Cb 0.06 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1siy h SER 38 CO 0.00 -0.29 0.00 -1.14 -0.87 0.00 0.00 176.83 174.53 1siy n ARG 39 N -5.30 0.00 -2.53 4.77 0.63 -1.21 -4.72 116.66 108.30 1siy n ARG 39 Ca -0.11 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.56 1siy n ARG 39 Cb 0.25 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.18 1siy n ARG 39 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1siy s THR 40 N 0.00 3.77 0.16 5.15 -4.23 -1.26 -4.96 115.64 114.27 1siy s THR 40 Ca 0.00 -0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.28 1siy s THR 40 Cb 0.00 -3.47 0.05 0.00 1.34 0.00 0.00 72.50 70.42 1siy s THR 40 CO 0.00 -0.45 1.71 0.74 -0.54 0.00 0.00 174.62 176.07 1siy h THR 41 N -0.04 1.23 0.00 3.99 2.02 -1.91 -1.92 112.91 116.28 1siy h THR 41 Ca -0.46 -0.72 -0.05 0.00 0.77 0.00 0.00 66.41 65.95 1siy h THR 41 Cb 1.25 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1siy h THR 41 CO 0.60 0.27 -0.26 0.00 0.37 0.00 0.00 175.52 176.50 1siy h ALA 42 N 1.05 1.41 -0.02 6.16 0.00 -1.94 0.05 119.26 125.98 1siy h ALA 42 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1siy h ALA 42 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1siy h ALA 42 CO -0.01 0.33 0.00 -0.25 0.00 0.00 0.00 179.25 179.32 1siy n ASP 43 N -4.01 0.52 -0.03 0.00 8.00 -0.79 -2.40 116.55 117.85 1siy n ASP 43 Ca -0.02 -1.29 -0.07 0.00 0.71 0.00 0.00 54.79 54.12 1siy n ASP 43 Cb 0.33 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 1siy n ASP 43 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1siy n ARG 44 N -0.54 0.23 -0.03 -1.24 1.74 -0.45 -4.33 116.66 112.05 1siy n ARG 44 Ca 0.20 0.10 -0.16 0.00 -0.77 0.00 0.00 57.85 57.21 1siy n ARG 44 Cb 0.18 -0.90 -0.08 0.00 -1.02 0.00 0.00 32.46 30.64 1siy n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1siy h ARG 45 N -0.42 0.59 -0.02 5.56 3.08 -1.18 -2.77 114.38 119.23 1siy h ARG 45 Ca -0.10 -0.48 -0.17 0.00 0.07 0.00 0.00 59.98 59.29 1siy h ARG 45 Cb 0.72 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1siy h ARG 45 CO -0.06 1.11 -0.75 0.00 -1.07 0.00 0.00 179.97 179.20 1siy h ALA 46 N 0.49 0.70 -0.45 0.04 0.00 -1.66 -2.80 119.26 115.59 1siy h ALA 46 Ca -0.04 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 1siy h ALA 46 Cb 1.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1siy h ALA 46 CO 0.12 0.85 -0.00 -0.24 0.00 0.00 0.00 179.25 179.98 1siy h VAL 47 N 0.10 1.23 -0.23 0.00 3.04 -1.59 -1.65 116.25 117.16 1siy h VAL 47 Ca -0.02 -0.96 -0.14 0.00 -1.01 0.00 0.00 66.70 64.57 1siy h VAL 47 Cb 1.31 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.48 1siy h VAL 47 CO 0.11 0.34 -0.44 0.00 -1.01 0.00 0.00 177.57 176.57 1siy n SER 49 N -4.01 0.00 -0.09 0.00 7.64 -0.66 -1.50 113.62 114.99 1siy n SER 49 Ca -0.02 0.19 -0.11 0.00 1.01 0.00 0.00 58.87 59.95 1siy n SER 49 Cb 0.53 -0.33 -0.12 0.00 -1.01 0.00 0.00 64.21 63.28 1siy n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1siy h LEU 51 N 0.00 0.13 -0.22 0.00 5.85 -0.15 -1.19 115.31 119.73 1siy h LEU 51 Ca -0.47 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.28 1siy h LEU 51 Cb 1.95 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.93 1siy h LEU 51 CO -0.01 0.07 0.05 0.11 -0.34 0.00 0.00 178.44 178.32 1siy h LYS 52 N 0.14 0.13 0.00 1.25 1.57 -1.65 0.30 116.57 118.31 1siy h LYS 52 Ca 0.24 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 1siy h LYS 52 Cb 0.78 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1siy h LYS 52 CO -0.03 0.09 -0.92 0.00 -0.57 0.00 0.00 179.45 178.01 1siy h ALA 53 N 1.16 0.66 -0.30 3.86 0.00 -1.66 -1.07 119.26 121.90 1siy h ALA 53 Ca 0.10 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 1siy h ALA 53 Cb 0.09 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1siy h ALA 53 CO -0.13 0.49 -0.37 0.00 0.00 0.00 0.00 179.25 179.24 1siy h ALA 54 N 1.67 0.45 -0.03 0.00 0.00 -1.05 0.23 119.26 120.53 1siy h ALA 54 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1siy h ALA 54 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1siy h ALA 54 CO 0.03 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1siy n ALA 55 N -2.52 2.61 0.95 0.00 0.00 0.10 -2.80 120.51 118.86 1siy n ALA 55 Ca -0.04 -0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.19 1siy n ALA 55 Cb 0.53 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 1siy n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1siy n GLY 56 N 1.04 -0.78 0.19 0.00 0.00 -0.41 -4.09 105.19 101.14 1siy n GLY 56 Ca 0.20 -0.57 0.15 0.00 0.00 0.00 0.00 46.02 45.79 1siy n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1siy n ALA 57 N -1.29 2.65 -1.54 4.61 0.00 0.75 -4.84 120.51 120.84 1siy n ALA 57 Ca 0.04 -0.30 -0.34 0.00 0.00 0.00 0.00 53.44 52.85 1siy n ALA 57 Cb 0.33 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1siy n ALA 57 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1siy n VAL 58 N -0.54 -0.06 -3.66 0.00 0.24 -1.26 -4.92 118.33 108.13 1siy n VAL 58 Ca 0.22 -0.64 -0.39 0.00 -2.04 0.00 0.00 64.34 61.49 1siy n VAL 58 Cb 0.21 -2.29 -0.10 0.00 -1.47 0.00 0.00 33.84 30.19 1siy n VAL 58 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1siy s ARG 59 N 8.45 2.36 -0.10 7.34 0.52 -1.26 -4.42 118.95 131.84 1siy s ARG 59 Ca 1.04 -1.66 -0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1siy s ARG 59 Cb -0.36 -3.72 0.00 0.00 0.52 0.00 0.00 34.95 31.39 1siy s ARG 59 CO 0.28 -1.05 0.01 0.41 0.02 0.00 0.00 175.30 174.98 1siy n GLY 60 N 4.79 0.43 3.94 -3.53 0.00 -1.26 -5.05 105.19 104.52 1siy n GLY 60 Ca -0.07 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 1siy n GLY 60 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1siy s ILE 61 N -2.26 2.03 -0.18 -0.61 1.10 -1.26 -4.74 121.20 115.27 1siy s ILE 61 Ca 0.01 -0.10 0.00 0.00 -0.51 0.00 0.00 60.65 60.05 1siy s ILE 61 Cb -0.00 -2.93 0.04 0.00 0.15 0.00 0.00 42.46 39.72 1siy s ILE 61 CO 0.01 0.00 -0.07 0.20 -2.11 0.00 0.00 174.94 172.97 1siy s ASN 62 N -4.84 3.09 0.42 4.50 -0.87 -0.45 -4.93 114.94 111.85 1siy s ASN 62 Ca 0.72 -0.77 0.13 0.00 -1.57 0.00 0.00 52.86 51.37 1siy s ASN 62 Cb -0.05 -1.04 0.88 0.00 -0.02 0.00 0.00 41.25 41.02 1siy s ASN 62 CO 0.51 -0.17 1.93 -0.65 -2.57 0.00 0.00 177.10 176.15 1siy h PRO 63 N 8.06 0.02 0.00 -0.60 0.11 -1.99 -1.89 132.00 135.72 1siy h PRO 63 Ca -0.25 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1siy h PRO 63 Cb 1.10 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1siy h PRO 63 CO 0.43 0.27 -0.09 -2.95 -0.21 0.00 0.00 178.00 175.45 1siy h ASN 64 N 0.02 0.00 1.55 -2.05 -1.07 -1.95 -1.03 115.58 111.05 1siy h ASN 64 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1siy h ASN 64 Cb 0.44 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.69 1siy h ASN 64 CO 0.03 0.09 -0.23 0.78 0.07 0.00 0.00 177.43 178.17 1siy h ASN 65 N 0.00 0.00 -0.15 6.14 2.35 -1.63 -3.13 115.58 119.16 1siy h ASN 65 Ca -0.00 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 1siy h ASN 65 Cb 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1siy h ASN 65 CO 0.01 0.01 -0.30 0.00 -1.65 0.00 0.00 177.43 175.51 1siy h ALA 66 N 2.22 0.91 0.00 -0.83 0.00 -1.16 0.20 119.26 120.61 1siy h ALA 66 Ca 0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1siy h ALA 66 Cb 0.89 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1siy h ALA 66 CO 0.00 0.62 -0.76 1.49 0.00 0.00 0.00 179.25 180.60 1siy h GLU 67 N 0.54 0.00 0.00 0.00 4.57 -1.63 -3.23 114.58 114.83 1siy h GLU 67 Ca 0.07 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.11 1siy h GLU 67 Cb 0.79 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 1siy h GLU 67 CO 0.06 0.22 -0.66 0.00 -1.18 0.00 0.00 179.01 177.45 1siy h ALA 68 N 1.71 0.79 -0.24 2.92 0.00 -1.41 -3.33 119.26 119.71 1siy h ALA 68 Ca -0.04 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.32 1siy h ALA 68 Cb 1.26 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1siy h ALA 68 CO 0.03 0.82 -0.46 1.25 0.00 0.00 0.00 179.25 180.89 1siy h LEU 69 N 0.00 -1.48 -0.96 0.00 6.46 -0.63 0.14 115.31 118.85 1siy h LEU 69 Ca -0.01 0.20 -0.10 0.00 -0.12 0.00 0.00 57.88 57.85 1siy h LEU 69 Cb 1.26 0.61 -0.01 0.00 -0.73 0.00 0.00 40.66 41.78 1siy h LEU 69 CO 0.09 -0.42 -0.40 1.55 -0.62 0.00 0.00 178.44 178.63 1siy h PRO 70 N -0.46 0.24 -0.41 5.25 0.13 -1.75 -3.19 132.00 131.80 1siy h PRO 70 Ca 0.09 -0.11 -0.10 0.00 -0.87 0.00 0.00 66.00 65.00 1siy h PRO 70 Cb 0.62 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 1siy h PRO 70 CO -0.48 0.61 -0.16 0.78 -0.23 0.00 0.00 178.00 178.52 1siy h GLY 71 N 1.20 0.85 2.00 1.56 0.00 -1.41 -1.44 103.07 105.82 1siy h GLY 71 Ca 0.02 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 1siy h GLY 71 CO 0.06 0.62 -0.38 0.50 0.00 0.00 0.00 176.54 177.35 1siy h LYS 72 N 0.69 0.00 0.00 4.80 1.79 -1.00 -2.87 116.57 119.99 1siy h LYS 72 Ca 0.11 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.39 1siy h LYS 72 Cb 0.66 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.28 1siy h LYS 72 CO 0.05 0.38 -1.25 0.00 -1.08 0.00 0.00 179.45 177.54 1siy n GLY 74 N 1.39 0.81 2.66 0.00 0.00 -0.83 -5.04 105.19 104.19 1siy n GLY 74 Ca -0.08 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1siy n GLY 74 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1siy s VAL 75 N -1.75 1.41 -1.08 1.61 -7.23 -0.61 -5.05 120.40 107.70 1siy s VAL 75 Ca 0.00 -2.92 -0.22 0.00 -1.81 0.00 0.00 61.98 57.03 1siy s VAL 75 Cb 0.00 -1.96 0.05 0.00 0.56 0.00 0.00 36.38 35.03 1siy s VAL 75 CO 0.00 -1.01 1.52 0.21 -0.31 0.00 0.00 175.10 175.51 1siy s ASN 76 N -0.09 6.55 0.40 4.85 3.84 -1.26 -4.57 114.94 124.65 1siy s ASN 76 Ca 0.23 -1.65 -0.14 0.00 0.21 0.00 0.00 52.86 51.51 1siy s ASN 76 Cb -0.13 -2.57 -0.08 0.00 -0.55 0.00 0.00 41.25 37.92 1siy s ASN 76 CO -0.09 -1.46 0.81 0.27 -2.79 0.00 0.00 177.10 173.84 1siy s ILE 77 N 4.92 4.68 0.04 -5.21 -4.36 -1.26 -5.02 121.20 114.98 1siy s ILE 77 Ca 0.48 0.89 -0.29 0.00 -0.26 0.00 0.00 60.65 61.48 1siy s ILE 77 Cb 0.01 -3.68 -0.17 0.00 1.25 0.00 0.00 42.46 39.87 1siy s ILE 77 CO -0.06 -0.42 1.37 -0.65 0.24 0.00 0.00 174.94 175.42 1siy h PRO 78 N 1.59 -0.73 -7.33 0.37 0.11 -2.02 -3.43 132.00 120.55 1siy h PRO 78 Ca -0.47 0.05 -0.47 0.00 0.11 0.00 0.00 66.00 65.21 1siy h PRO 78 Cb 1.18 0.17 0.16 0.00 0.11 0.00 0.00 31.00 32.61 1siy h PRO 78 CO 0.64 -0.42 0.22 1.52 -0.21 0.00 0.00 178.00 179.74 1siy s TYR 79 N -5.25 2.17 0.42 0.65 -0.85 -1.26 -5.07 117.35 108.16 1siy s TYR 79 Ca -0.16 1.17 0.00 0.00 -0.52 0.00 0.00 57.07 57.57 1siy s TYR 79 Cb 0.02 -3.20 -0.00 0.00 0.38 0.00 0.00 41.96 39.17 1siy s TYR 79 CO 0.54 -2.66 0.01 1.63 -1.52 0.00 0.00 175.55 173.56 1siy n LYS 80 N -4.05 0.94 -0.12 -3.49 4.76 -1.26 -5.00 118.16 109.94 1siy n LYS 80 Ca 0.06 -3.10 0.02 0.00 -2.87 0.00 0.00 58.31 52.42 1siy n LYS 80 Cb 0.56 0.89 0.08 0.00 -1.84 0.00 0.00 35.03 34.72 1siy n LYS 80 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1siy n ILE 81 N -1.04 0.34 -2.12 -0.18 2.08 -1.26 -4.82 119.36 112.35 1siy n ILE 81 Ca -0.17 -0.25 -0.41 0.00 0.56 0.00 0.00 62.75 62.49 1siy n ILE 81 Cb 0.54 -0.07 -0.02 0.00 -0.75 0.00 0.00 39.64 39.34 1siy n ILE 81 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1siy s SER 82 N -0.74 6.78 0.34 4.38 0.15 -1.26 -4.90 113.70 118.45 1siy s SER 82 Ca 0.11 2.68 0.26 0.00 0.70 0.00 0.00 55.95 59.69 1siy s SER 82 Cb 0.07 -2.65 1.18 0.00 -1.71 0.00 0.00 66.02 62.91 1siy s SER 82 CO 0.06 -0.53 1.77 0.71 1.20 0.00 0.00 173.24 176.45 1siy h THR 83 N 3.07 0.00 -1.07 6.45 1.35 -1.90 -2.97 112.91 117.84 1siy h THR 83 Ca -0.49 -0.19 -0.41 0.00 -0.55 0.00 0.00 66.41 64.78 1siy h THR 83 Cb 1.23 0.90 -0.41 0.00 -1.73 0.00 0.00 68.15 68.14 1siy h THR 83 CO 0.66 0.00 -1.07 -1.20 -0.25 0.00 0.00 175.52 173.66 1siy n SER 84 N -2.41 2.32 -0.13 5.36 7.64 -1.26 -4.69 113.62 120.46 1siy n SER 84 Ca 0.01 -2.92 0.07 0.00 1.01 0.00 0.00 58.87 57.04 1siy n SER 84 Cb 0.17 -0.50 0.39 0.00 -1.01 0.00 0.00 64.21 63.25 1siy n SER 84 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1siy n THR 85 N -0.22 0.06 -2.03 0.44 5.66 -1.12 -4.97 114.28 112.10 1siy n THR 85 Ca 0.17 -0.08 -0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1siy n THR 85 Cb 0.79 -0.09 -0.00 0.00 -1.55 0.00 0.00 70.33 69.47 1siy n THR 85 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1siy n ASN 86 N -0.48 -6.94 -0.58 1.09 2.85 -1.26 -4.84 115.26 105.10 1siy n ASN 86 Ca 0.11 1.34 0.11 0.00 -0.11 0.00 0.00 54.58 56.04 1siy n ASN 86 Cb 0.11 -4.12 0.01 0.00 1.24 0.00 0.00 39.78 37.02 1siy n ASN 86 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1siy n ASN 88 N 0.23 0.12 -0.91 0.00 6.94 -1.26 -4.30 115.26 116.07 1siy n ASN 88 Ca 0.10 -0.01 0.06 0.00 -0.02 0.00 0.00 54.58 54.71 1siy n ASN 88 Cb 0.49 0.91 0.20 0.00 -2.36 0.00 0.00 39.78 39.02 1siy n ASN 88 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1siy n SER 89 N -2.78 2.62 0.13 0.53 2.88 -1.26 -3.54 113.62 112.19 1siy n SER 89 Ca -0.34 -2.14 0.02 0.00 -1.33 0.00 0.00 58.87 55.08 1siy n SER 89 Cb 1.15 -0.37 0.01 0.00 -0.75 0.00 0.00 64.21 64.25 1siy n SER 89 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1siy h ILE 90 N 2.37 0.88 0.00 2.46 3.07 -1.75 -3.53 117.51 121.01 1siy h ILE 90 Ca 0.00 -2.27 0.00 0.00 1.55 0.00 0.00 64.86 64.14 1siy h ILE 90 Cb 0.77 2.41 0.00 0.00 -0.27 0.00 0.00 36.82 39.73 1siy h ILE 90 CO 0.08 0.50 0.00 0.59 -1.05 0.00 0.00 178.15 178.27