#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 1.77 -1.91 1.12 -4.23 -1.26 -4.99 115.64 106.14 1siy s THR 2 Ca 0.00 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1siy s THR 2 Cb 0.00 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1siy s THR 2 CO 0.00 -0.16 0.92 0.00 -0.54 0.00 0.00 174.62 174.84 1siy n GLY 4 N 0.42 -0.90 0.15 0.00 0.00 -1.26 -2.83 105.19 100.78 1siy n GLY 4 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 0.44 0.00 1.61 4.15 -1.78 -2.86 115.11 116.67 1siy h GLN 5 Ca -0.34 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 58.95 1siy h GLN 5 Cb 1.74 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.36 1siy h GLN 5 CO 0.02 0.51 -0.13 -0.24 -1.93 0.00 0.00 178.83 177.05 1siy h VAL 6 N 0.29 0.26 -0.11 2.39 3.04 -1.70 -3.13 116.25 117.29 1siy h VAL 6 Ca 0.09 -1.13 0.03 0.00 -1.01 0.00 0.00 66.70 64.68 1siy h VAL 6 Cb 0.26 1.92 -0.03 0.00 -2.01 0.00 0.00 31.29 31.42 1siy h VAL 6 CO -0.00 0.13 -0.07 1.56 -1.01 0.00 0.00 177.57 178.18 1siy h GLN 7 N 0.00 -0.07 0.00 4.17 1.08 -1.35 -1.66 115.11 117.29 1siy h GLN 7 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1siy h GLN 7 Cb 0.91 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1siy h GLN 7 CO 0.02 -0.05 0.00 0.78 -0.95 0.00 0.00 178.83 178.63 1siy h GLY 8 N -0.07 0.00 1.15 3.46 0.00 -1.45 0.63 103.07 106.78 1siy h GLY 8 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 1siy h GLY 8 CO -0.16 0.00 -0.61 -0.57 0.00 0.00 0.00 176.54 175.21 1siy h ASN 9 N 0.00 0.97 0.00 0.19 -0.73 -1.39 -3.35 115.58 111.27 1siy h ASN 9 Ca 0.00 -0.56 -0.21 0.00 1.87 0.00 0.00 56.30 57.40 1siy h ASN 9 Cb 0.08 -0.28 -0.04 0.00 0.27 0.00 0.00 38.32 38.35 1siy h ASN 9 CO 0.00 1.35 -1.78 0.18 -0.37 0.00 0.00 177.43 176.82 1siy n LEU 10 N -4.00 0.35 0.32 0.34 4.32 -0.68 -4.19 117.00 113.47 1siy n LEU 10 Ca -0.05 -0.01 0.20 0.00 -0.02 0.00 0.00 56.01 56.13 1siy n LEU 10 Cb 0.66 0.18 1.10 0.00 -1.62 0.00 0.00 43.42 43.75 1siy n LEU 10 CO 0.51 0.33 1.16 0.00 -1.22 0.00 0.00 177.39 178.17 1siy h ALA 11 N 0.49 1.17 0.00 -1.18 0.00 0.05 0.66 119.26 120.45 1siy h ALA 11 Ca -0.31 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1siy h ALA 11 Cb 1.67 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1siy h ALA 11 CO 0.01 0.00 -1.26 1.04 0.00 0.00 0.00 179.25 179.05 1siy n GLN 12 N -3.34 0.61 0.00 0.00 6.02 -1.26 -3.73 117.38 115.69 1siy n GLN 12 Ca -0.03 0.18 0.10 0.00 -0.01 0.00 0.00 57.00 57.24 1siy n GLN 12 Cb 0.08 -1.81 -0.09 0.00 1.02 0.00 0.00 30.24 29.44 1siy n GLN 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1siy h ILE 14 N 0.00 0.45 0.79 0.00 2.10 0.16 1.08 117.51 122.09 1siy h ILE 14 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.90 1siy h ILE 14 Cb 0.54 0.58 0.01 0.00 -1.09 0.00 0.00 36.82 36.85 1siy h ILE 14 CO 0.00 0.00 -0.38 1.23 -1.08 0.00 0.00 178.15 177.92 1siy h GLY 15 N 0.00 -1.11 1.35 8.18 0.00 -1.81 0.42 103.07 110.10 1siy h GLY 15 Ca 0.31 0.41 -0.04 0.00 0.00 0.00 0.00 47.33 48.01 1siy h GLY 15 CO -0.00 -0.41 0.18 -2.75 0.00 0.00 0.00 176.54 173.56 1siy h PHE 16 N -1.07 0.84 -0.16 5.60 3.57 -1.09 0.60 116.94 125.23 1siy h PHE 16 Ca -0.11 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.36 1siy h PHE 16 Cb 0.82 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1siy h PHE 16 CO 0.05 0.68 -0.03 1.25 -2.23 0.00 0.00 178.31 178.03 1siy h LEU 17 N 0.81 -0.12 0.00 0.59 5.85 0.12 -2.44 115.31 120.12 1siy h LEU 17 Ca 0.19 0.04 -0.36 0.00 0.84 0.00 0.00 57.88 58.59 1siy h LEU 17 Cb 0.23 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1siy h LEU 17 CO -0.01 -0.04 -1.98 1.67 -0.34 0.00 0.00 178.44 177.75 1siy n GLN 18 N -5.16 0.58 -0.10 1.25 7.27 0.15 -4.01 117.38 117.36 1siy n GLN 18 Ca -0.03 0.40 -0.17 0.00 0.07 0.00 0.00 57.00 57.27 1siy n GLN 18 Cb 0.10 -1.60 -0.08 0.00 2.41 0.00 0.00 30.24 31.07 1siy n GLN 18 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1siy n LYS 19 N -4.33 0.53 0.00 3.69 4.76 0.19 -4.86 118.16 118.13 1siy n LYS 19 Ca -0.45 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1siy n LYS 19 Cb 0.79 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 1siy n LYS 19 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1siy n GLY 20 N 1.48 2.75 0.00 0.72 0.00 0.15 -4.94 105.19 105.34 1siy n GLY 20 Ca -0.26 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.47 0.84 3.35 -0.02 0.00 -1.26 -3.79 105.19 102.83 1siy n GLY 21 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 1siy n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1siy s VAL 22 N 0.00 0.04 -0.43 1.61 0.11 -1.26 -5.03 120.40 115.44 1siy s VAL 22 Ca 0.00 -0.33 -0.21 0.00 -2.93 0.00 0.00 61.98 58.50 1siy s VAL 22 Cb 0.00 -0.86 0.02 0.00 -1.53 0.00 0.00 36.38 34.01 1siy s VAL 22 CO 0.00 -0.18 0.68 -0.69 -3.33 0.00 0.00 175.10 171.58 1siy s VAL 23 N -1.83 4.79 0.44 2.04 1.01 -1.26 -4.60 120.40 120.99 1siy s VAL 23 Ca -0.09 0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 1siy s VAL 23 Cb -0.02 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 1siy s VAL 23 CO 0.03 -0.58 0.99 -2.16 0.00 0.00 0.00 175.10 173.37 1siy s PRO 24 N 2.93 4.11 0.11 2.72 0.04 -1.26 -4.93 135.00 138.71 1siy s PRO 24 Ca 0.25 1.24 0.09 0.00 0.04 0.00 0.00 61.00 62.62 1siy s PRO 24 Cb -0.14 -2.22 0.46 0.00 0.04 0.00 0.00 34.50 32.64 1siy s PRO 24 CO 0.19 -0.15 1.27 -0.35 0.04 0.00 0.00 177.00 178.01 1siy n PRO 25 N -0.63 0.05 0.14 0.56 -0.04 -1.26 -1.68 135.00 132.14 1siy n PRO 25 Ca 0.07 0.52 -0.11 0.00 -0.04 0.00 0.00 63.50 63.95 1siy n PRO 25 Cb 0.53 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 1siy n PRO 25 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1siy h SER 26 N 0.00 -0.36 -0.77 3.54 0.02 -1.96 -2.14 113.55 111.89 1siy h SER 26 Ca 0.00 -0.16 0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1siy h SER 26 Cb 0.03 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.58 1siy h SER 26 CO 0.00 0.11 0.38 0.00 -1.14 0.00 0.00 176.83 176.17 1siy h THR 29 N 0.33 1.26 -0.03 0.00 2.02 -0.39 0.36 112.91 116.46 1siy h THR 29 Ca 0.42 -0.68 -0.18 0.00 0.77 0.00 0.00 66.41 66.73 1siy h THR 29 Cb 0.69 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1siy h THR 29 CO -0.47 0.30 -0.78 1.23 0.37 0.00 0.00 175.52 176.17 1siy h GLY 30 N 1.21 0.28 0.67 2.16 0.00 -0.89 -2.06 103.07 104.44 1siy h GLY 30 Ca 0.30 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1siy h GLY 30 CO -0.04 0.38 -0.00 -2.08 0.00 0.00 0.00 176.54 174.80 1siy h VAL 31 N 0.16 1.28 0.00 4.60 2.07 0.33 -2.68 116.25 122.01 1siy h VAL 31 Ca -0.03 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1siy h VAL 31 Cb 1.36 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1siy h VAL 31 CO 0.12 0.22 0.00 0.50 0.02 0.00 0.00 177.57 178.43 1siy h LYS 32 N -0.30 0.00 -0.51 1.57 3.64 -0.36 -1.77 116.57 118.84 1siy h LYS 32 Ca 0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1siy h LYS 32 Cb 0.36 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1siy h LYS 32 CO 0.00 0.00 0.13 -0.97 -2.27 0.00 0.00 179.45 176.35 1siy h ASN 33 N 0.00 0.76 1.23 4.20 -0.73 -1.03 0.25 115.58 120.27 1siy h ASN 33 Ca 0.00 -0.22 0.00 0.00 1.87 0.00 0.00 56.30 57.95 1siy h ASN 33 Cb 0.33 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1siy h ASN 33 CO 0.00 0.78 -0.13 -0.38 -0.37 0.00 0.00 177.43 177.34 1siy n ILE 34 N -4.46 0.41 -1.30 2.57 -0.00 -0.73 -0.22 119.36 115.63 1siy n ILE 34 Ca 0.02 -0.21 0.08 0.00 -0.00 0.00 0.00 62.75 62.63 1siy n ILE 34 Cb 0.21 -0.45 0.16 0.00 -0.00 0.00 0.00 39.64 39.56 1siy n ILE 34 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1siy n LEU 35 N -2.05 2.41 0.07 1.39 4.77 -0.80 -4.45 117.00 118.33 1siy n LEU 35 Ca 0.05 -3.33 0.00 0.00 -0.03 0.00 0.00 56.01 52.71 1siy n LEU 35 Cb 0.41 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1siy n LEU 35 CO 0.31 0.95 0.00 -3.20 -1.33 0.00 0.00 177.39 174.12 1siy n ASN 36 N -1.27 -1.20 0.00 -1.43 2.85 0.85 -4.91 115.26 110.16 1siy n ASN 36 Ca 0.17 0.34 0.14 0.00 -0.11 0.00 0.00 54.58 55.12 1siy n ASN 36 Cb 0.67 1.36 0.75 0.00 1.24 0.00 0.00 39.78 43.79 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 -2.74 0.00 -4.57 1.20 7.64 -0.57 -4.58 113.62 109.99 1siy n SER 37 Ca 0.00 -0.37 -0.41 0.00 1.01 0.00 0.00 58.87 59.09 1siy n SER 37 Cb 0.00 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 1siy n SER 37 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1siy s SER 38 N -2.38 6.04 0.00 6.43 1.04 0.70 -4.92 113.70 120.61 1siy s SER 38 Ca 0.32 0.27 0.00 0.00 0.48 0.00 0.00 55.95 57.01 1siy s SER 38 Cb 0.19 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1siy s SER 38 CO 0.39 -1.79 0.06 0.54 0.98 0.00 0.00 173.24 173.42 1siy n ARG 39 N 8.76 0.00 -2.67 4.02 3.00 -1.26 -4.83 116.66 123.69 1siy n ARG 39 Ca 0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 57.85 57.74 1siy n ARG 39 Cb 0.49 -0.54 0.11 0.00 0.00 0.00 0.00 32.46 32.52 1siy n ARG 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1siy s THR 40 N -0.12 2.09 0.40 0.55 -4.23 -1.26 -4.89 115.64 108.19 1siy s THR 40 Ca 0.00 -0.67 0.10 0.00 -1.18 0.00 0.00 61.69 59.94 1siy s THR 40 Cb 0.00 -2.43 0.18 0.00 1.34 0.00 0.00 72.50 71.59 1siy s THR 40 CO 0.00 0.00 1.95 0.74 -0.54 0.00 0.00 174.62 176.77 1siy h THR 41 N -0.45 1.15 0.00 3.99 2.02 -1.96 0.84 112.91 118.51 1siy h THR 41 Ca -0.35 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1siy h THR 41 Cb 1.27 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1siy h THR 41 CO 0.39 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.48 1siy n ALA 42 N -2.49 1.65 -0.03 6.16 0.00 -1.26 0.79 120.51 125.33 1siy n ALA 42 Ca -0.00 0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.52 1siy n ALA 42 Cb 0.23 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 18.40 1siy n ALA 42 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1siy n ASP 43 N -2.04 2.31 0.00 0.00 2.03 0.10 -4.33 116.55 114.62 1siy n ASP 43 Ca 0.02 -1.85 0.00 0.00 0.52 0.00 0.00 54.79 53.48 1siy n ASP 43 Cb 0.21 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1siy n ASP 43 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1siy n ARG 44 N 0.11 0.00 0.06 -0.67 0.63 -0.12 -4.35 116.66 112.32 1siy n ARG 44 Ca 0.06 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.11 1siy n ARG 44 Cb 0.31 -0.35 0.27 0.00 0.45 0.00 0.00 32.46 33.14 1siy n ARG 44 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1siy n ARG 45 N -2.51 0.24 0.03 -0.14 0.63 0.24 -2.88 116.66 112.27 1siy n ARG 45 Ca 0.00 0.11 -0.04 0.00 -0.92 0.00 0.00 57.85 57.00 1siy n ARG 45 Cb 0.22 -1.69 -0.10 0.00 0.45 0.00 0.00 32.46 31.34 1siy n ARG 45 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1siy h ALA 46 N 2.59 0.65 0.08 5.13 0.00 -1.75 -3.33 119.26 122.63 1siy h ALA 46 Ca 0.00 -1.04 -0.26 0.00 0.00 0.00 0.00 54.91 53.61 1siy h ALA 46 Cb 0.71 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1siy h ALA 46 CO 0.00 1.19 -1.24 -0.24 0.00 0.00 0.00 179.25 178.96 1siy h VAL 47 N 0.00 1.48 -0.15 0.00 3.04 -1.79 -3.20 116.25 115.63 1siy h VAL 47 Ca -0.16 -3.11 -0.08 0.00 -1.01 0.00 0.00 66.70 62.33 1siy h VAL 47 Cb 1.75 2.86 -0.01 0.00 -2.01 0.00 0.00 31.29 33.88 1siy h VAL 47 CO 0.07 0.89 -0.26 0.00 -1.01 0.00 0.00 177.57 177.26 1siy h SER 49 N 0.25 1.05 0.90 0.00 0.02 -1.66 0.44 113.55 114.54 1siy h SER 49 Ca 0.04 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.77 1siy h SER 49 Cb 0.60 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1siy h SER 49 CO 0.04 0.72 -1.18 0.00 -1.14 0.00 0.00 176.83 175.27 1siy h LEU 51 N 0.00 0.76 -1.03 0.00 6.46 -0.02 0.97 115.31 122.44 1siy h LEU 51 Ca -0.11 -0.01 0.13 0.00 -0.12 0.00 0.00 57.88 57.77 1siy h LEU 51 Cb 1.74 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 41.41 1siy h LEU 51 CO 0.09 0.53 0.63 0.50 -0.62 0.00 0.00 178.44 179.56 1siy h LYS 52 N 0.88 0.93 -0.07 1.25 3.64 -0.85 0.28 116.57 122.64 1siy h LYS 52 Ca 0.28 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.48 1siy h LYS 52 Cb 0.03 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1siy h LYS 52 CO -0.08 0.62 -0.46 0.00 -2.27 0.00 0.00 179.45 177.26 1siy h ALA 53 N 1.55 0.14 -0.74 5.00 0.00 -1.21 -3.29 119.26 120.71 1siy h ALA 53 Ca 0.50 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1siy h ALA 53 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1siy h ALA 53 CO -0.27 0.30 0.49 0.00 0.00 0.00 0.00 179.25 179.77 1siy h ALA 54 N 0.42 1.54 -0.02 0.00 0.00 -0.02 0.20 119.26 121.38 1siy h ALA 54 Ca -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1siy h ALA 54 Cb 1.12 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1siy h ALA 54 CO 0.09 0.39 0.02 0.00 0.00 0.00 0.00 179.25 179.75 1siy h ALA 55 N 1.56 1.95 -0.25 0.00 0.00 -0.55 -0.82 119.26 121.15 1siy h ALA 55 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1siy h ALA 55 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1siy h ALA 55 CO -0.08 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.56 1siy n GLY 56 N -1.51 3.98 0.35 0.00 0.00 0.21 -4.44 105.19 103.77 1siy n GLY 56 Ca -0.03 -0.99 0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.49 2.52 0.28 4.61 0.00 0.46 -4.72 120.51 123.17 1siy n ALA 57 Ca 0.20 -2.53 0.16 0.00 0.00 0.00 0.00 53.44 51.26 1siy n ALA 57 Cb 0.84 -0.49 0.55 0.00 0.00 0.00 0.00 19.45 20.35 1siy n ALA 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1siy h VAL 58 N 0.60 0.00 -2.97 0.00 2.07 -1.77 -3.46 116.25 110.72 1siy h VAL 58 Ca 0.00 -0.60 -0.39 0.00 0.82 0.00 0.00 66.70 66.53 1siy h VAL 58 Cb 1.15 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1siy h VAL 58 CO 0.07 0.00 -0.51 0.54 0.02 0.00 0.00 177.57 177.69 1siy n ARG 59 N -3.01 -1.91 0.00 1.57 5.12 -1.26 -4.68 116.66 112.49 1siy n ARG 59 Ca 0.02 0.95 0.00 0.00 -1.93 0.00 0.00 57.85 56.88 1siy n ARG 59 Cb 0.35 -5.56 0.00 0.00 -1.16 0.00 0.00 32.46 26.09 1siy n ARG 59 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1siy n GLY 60 N -1.07 -1.31 3.65 -0.13 0.00 -1.26 -5.03 105.19 100.03 1siy n GLY 60 Ca -0.22 0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1siy n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1siy s ILE 61 N 0.00 3.42 -0.33 -0.61 -1.09 -1.26 -4.25 121.20 117.09 1siy s ILE 61 Ca 0.00 0.50 0.02 0.00 -2.23 0.00 0.00 60.65 58.94 1siy s ILE 61 Cb 0.00 -3.37 0.10 0.00 -1.58 0.00 0.00 42.46 37.61 1siy s ILE 61 CO 0.00 -0.10 0.07 0.20 -1.23 0.00 0.00 174.94 173.87 1siy s ASN 62 N 4.35 4.46 0.30 3.58 0.01 -1.26 -5.00 114.94 121.38 1siy s ASN 62 Ca 0.79 -1.93 -0.00 0.00 -0.71 0.00 0.00 52.86 51.01 1siy s ASN 62 Cb -0.33 -1.32 0.47 0.00 0.41 0.00 0.00 41.25 40.48 1siy s ASN 62 CO 0.33 -0.39 1.88 -0.65 -1.51 0.00 0.00 177.10 176.76 1siy h PRO 63 N 7.81 0.83 -0.77 -0.60 0.11 -1.93 -1.39 132.00 136.06 1siy h PRO 63 Ca -0.08 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 65.87 1siy h PRO 63 Cb 1.02 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.95 1siy h PRO 63 CO 0.50 0.69 0.39 -0.97 -0.21 0.00 0.00 178.00 178.40 1siy h ASN 64 N 0.82 0.99 1.21 -2.05 -0.73 -1.96 -2.03 115.58 111.82 1siy h ASN 64 Ca 0.19 -0.10 -0.11 0.00 1.87 0.00 0.00 56.30 58.15 1siy h ASN 64 Cb 0.18 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 1siy h ASN 64 CO -0.02 0.82 -0.53 0.78 -0.37 0.00 0.00 177.43 178.11 1siy h ASN 65 N 1.09 0.00 0.43 1.15 2.35 -1.73 -2.39 115.58 116.48 1siy h ASN 65 Ca 0.27 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.96 1siy h ASN 65 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1siy h ASN 65 CO -0.04 0.53 -0.30 0.00 -1.65 0.00 0.00 177.43 175.97 1siy h ALA 66 N 1.47 1.33 0.00 -0.83 0.00 -0.59 -0.81 119.26 119.83 1siy h ALA 66 Ca -0.01 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1siy h ALA 66 Cb 1.29 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1siy h ALA 66 CO 0.07 0.38 -0.92 1.49 0.00 0.00 0.00 179.25 180.27 1siy h GLU 67 N 0.00 0.00 0.00 0.00 4.81 -1.23 -3.24 114.58 114.92 1siy h GLU 67 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1siy h GLU 67 Cb 0.60 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1siy h GLU 67 CO 0.04 0.25 -0.14 0.00 -0.73 0.00 0.00 179.01 178.43 1siy h ALA 68 N 1.64 0.95 0.49 2.92 0.00 -0.88 -3.30 119.26 121.08 1siy h ALA 68 Ca -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1siy h ALA 68 Cb 1.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1siy h ALA 68 CO 0.04 0.17 -0.51 1.25 0.00 0.00 0.00 179.25 180.20 1siy h LEU 69 N 0.00 -1.40 0.00 0.00 5.85 -1.19 -1.85 115.31 116.72 1siy h LEU 69 Ca -0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1siy h LEU 69 Cb 0.90 0.47 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1siy h LEU 69 CO 0.02 -0.67 0.00 -0.81 -0.34 0.00 0.00 178.44 176.64 1siy n PRO 70 N -5.56 0.92 -0.08 5.25 -0.04 -1.25 -3.89 135.00 130.34 1siy n PRO 70 Ca -0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 1siy n PRO 70 Cb 0.46 -1.29 -0.06 0.00 -0.04 0.00 0.00 33.50 32.58 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 4.98 0.00 -0.69 0.55 0.00 -1.43 0.16 103.07 106.65 1siy h GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1siy h GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1siy n LYS 72 N -4.54 1.24 0.00 4.80 4.01 -0.95 -1.06 118.16 121.66 1siy n LYS 72 Ca -0.18 -0.26 0.05 0.00 -0.51 0.00 0.00 58.31 57.41 1siy n LYS 72 Cb 0.44 -1.29 0.04 0.00 -0.51 0.00 0.00 35.03 33.72 1siy n LYS 72 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1siy n GLY 74 N 0.60 -0.39 1.19 0.00 0.00 -0.23 -4.96 105.19 101.39 1siy n GLY 74 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.08 0.71 -1.98 1.61 0.24 -1.15 -5.09 118.33 109.60 1siy n VAL 75 Ca -0.14 0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1siy n VAL 75 Cb 0.61 -1.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 1siy n VAL 75 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1siy n ASN 76 N -3.32 -7.73 -4.72 -1.34 4.13 0.03 -4.95 115.26 97.37 1siy n ASN 76 Ca 0.00 1.37 -0.41 0.00 1.68 0.00 0.00 54.58 57.21 1siy n ASN 76 Cb 0.13 -4.20 -0.04 0.00 -1.54 0.00 0.00 39.78 34.13 1siy n ASN 76 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1siy s ILE 77 N -0.45 4.69 0.31 2.41 2.07 -1.26 -4.95 121.20 124.02 1siy s ILE 77 Ca 0.00 2.04 0.04 0.00 -1.41 0.00 0.00 60.65 61.32 1siy s ILE 77 Cb 0.00 -4.31 0.09 0.00 0.13 0.00 0.00 42.46 38.37 1siy s ILE 77 CO 0.00 0.24 1.77 -0.65 -1.91 0.00 0.00 174.94 174.40 1siy h PRO 78 N 6.18 0.44 0.00 3.50 0.11 -1.99 -3.45 132.00 136.80 1siy h PRO 78 Ca -0.42 -0.14 -0.25 0.00 0.11 0.00 0.00 66.00 65.30 1siy h PRO 78 Cb 1.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1siy h PRO 78 CO 0.73 0.62 -0.10 2.48 -0.21 0.00 0.00 178.00 181.53 1siy n TYR 79 N -4.16 -1.54 -2.10 0.65 4.11 -1.26 -5.10 117.16 107.77 1siy n TYR 79 Ca -0.00 -1.03 -0.29 0.00 -0.00 0.00 0.00 57.90 56.58 1siy n TYR 79 Cb 0.36 -0.22 0.02 0.00 -0.00 0.00 0.00 39.34 39.51 1siy n TYR 79 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1siy s LYS 80 N -3.07 3.32 -0.35 -3.48 3.01 -1.26 -4.98 119.74 112.93 1siy s LYS 80 Ca 0.18 0.47 0.07 0.00 -1.01 0.00 0.00 55.97 55.68 1siy s LYS 80 Cb -0.01 -2.15 0.59 0.00 -1.01 0.00 0.00 37.83 35.24 1siy s LYS 80 CO 0.11 -0.63 1.66 0.44 0.51 0.00 0.00 175.35 177.45 1siy n ILE 81 N -2.69 2.83 -3.87 2.17 -6.64 -1.26 -4.89 119.36 105.00 1siy n ILE 81 Ca 0.05 -2.34 -0.20 0.00 -1.77 0.00 0.00 62.75 58.48 1siy n ILE 81 Cb 0.55 -0.38 -0.00 0.00 -1.44 0.00 0.00 39.64 38.37 1siy n ILE 81 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1siy n SER 82 N -1.07 2.41 0.09 7.28 2.88 -1.26 -4.71 113.62 119.24 1siy n SER 82 Ca 0.44 -2.46 -0.00 0.00 -1.33 0.00 0.00 58.87 55.51 1siy n SER 82 Cb 1.31 -0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.73 1siy n SER 82 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1siy h THR 83 N 0.68 0.94 -0.47 2.46 1.35 -1.92 -3.29 112.91 112.66 1siy h THR 83 Ca -0.27 -2.41 -0.11 0.00 -0.55 0.00 0.00 66.41 63.07 1siy h THR 83 Cb 0.97 2.41 -0.07 0.00 -1.73 0.00 0.00 68.15 69.73 1siy h THR 83 CO 0.43 0.53 0.14 -1.20 -0.25 0.00 0.00 175.52 175.17 1siy n SER 84 N -3.16 3.93 -4.76 5.36 7.64 -1.26 -4.95 113.62 116.42 1siy n SER 84 Ca -0.02 -2.76 -0.38 0.00 1.01 0.00 0.00 58.87 56.72 1siy n SER 84 Cb 0.81 -0.66 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 1siy n SER 84 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1siy s THR 85 N -2.17 2.68 0.00 0.44 2.01 -1.24 -4.88 115.64 112.49 1siy s THR 85 Ca 0.37 0.54 -0.02 0.00 0.31 0.00 0.00 61.69 62.89 1siy s THR 85 Cb 0.29 -3.29 -0.07 0.00 0.01 0.00 0.00 72.50 69.44 1siy s THR 85 CO 0.09 0.02 2.16 -0.46 -0.69 0.00 0.00 174.62 175.75 1siy n ASN 86 N -0.43 4.55 -0.29 3.53 6.94 -1.26 -4.59 115.26 123.71 1siy n ASN 86 Ca 0.07 -2.25 0.09 0.00 -0.02 0.00 0.00 54.58 52.47 1siy n ASN 86 Cb 0.46 -1.04 0.32 0.00 -2.36 0.00 0.00 39.78 37.15 1siy n ASN 86 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1siy n ASN 88 N -4.55 0.00 0.00 0.00 2.85 -1.26 -4.09 115.26 108.21 1siy n ASN 88 Ca 0.16 -0.29 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1siy n ASN 88 Cb 0.36 -0.14 0.00 0.00 1.24 0.00 0.00 39.78 41.24 1siy n ASN 88 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1siy n SER 89 N -1.14 0.00 0.00 1.20 2.88 0.23 -5.08 113.62 111.70 1siy n SER 89 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1siy n SER 89 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1siy n SER 89 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1siy n ILE 90 N -1.73 0.00 -0.35 2.46 -5.35 -0.01 -5.06 119.36 109.32 1siy n ILE 90 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1siy n ILE 90 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1siy n ILE 90 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59