#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1siy n THR 2 N 0.00 0.00 -0.05 1.12 -1.04 -1.26 -3.94 114.28 109.11 1siy n THR 2 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 1siy n THR 2 Cb 0.00 0.00 0.44 0.00 -1.82 0.00 0.00 70.33 68.95 1siy n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1siy h GLY 4 N 0.52 0.00 1.05 0.00 0.00 -1.98 -1.90 103.07 100.77 1siy h GLY 4 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 1siy h GLY 4 CO -0.06 0.00 -0.16 -1.61 0.00 0.00 0.00 176.54 174.71 1siy h GLN 5 N 0.00 0.91 -0.82 4.80 4.15 -0.83 -2.95 115.11 120.38 1siy h GLN 5 Ca -0.00 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 59.04 1siy h GLN 5 Cb 1.30 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.91 1siy h GLN 5 CO 0.05 1.03 0.50 0.28 -1.93 0.00 0.00 178.83 178.76 1siy h VAL 6 N 0.75 1.23 -0.60 2.39 2.07 0.24 -1.23 116.25 121.09 1siy h VAL 6 Ca 0.11 -0.49 0.17 0.00 0.82 0.00 0.00 66.70 67.32 1siy h VAL 6 Cb 0.72 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1siy h VAL 6 CO 0.05 0.23 0.49 -0.61 0.02 0.00 0.00 177.57 177.76 1siy h GLN 7 N 1.12 0.00 -0.24 1.57 4.15 -1.17 0.15 115.11 120.68 1siy h GLN 7 Ca 0.29 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.66 1siy h GLN 7 Cb -0.05 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1siy h GLN 7 CO -0.06 0.00 -0.10 0.78 -1.93 0.00 0.00 178.83 177.52 1siy h GLY 8 N 0.00 0.42 1.57 2.39 0.00 -1.16 0.54 103.07 106.83 1siy h GLY 8 Ca 0.29 -0.27 -0.24 0.00 0.00 0.00 0.00 47.33 47.10 1siy h GLY 8 CO -0.00 0.25 -1.30 3.45 0.00 0.00 0.00 176.54 178.94 1siy h ASN 9 N 0.37 0.00 0.01 0.19 -1.07 -0.82 -3.32 115.58 110.94 1siy h ASN 9 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.44 1siy h ASN 9 Cb 0.41 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.66 1siy h ASN 9 CO 0.02 1.00 -0.00 -0.07 0.07 0.00 0.00 177.43 178.45 1siy h LEU 10 N 0.00 -0.01 -0.76 6.14 -0.00 -1.25 -3.33 115.31 116.11 1siy h LEU 10 Ca -0.13 -0.61 0.12 0.00 -0.00 0.00 0.00 57.88 57.26 1siy h LEU 10 Cb 1.87 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 42.45 1siy h LEU 10 CO 0.11 0.80 0.36 0.00 -0.00 0.00 0.00 178.44 179.71 1siy h ALA 11 N -0.37 1.07 -0.32 1.53 0.00 -0.07 0.28 119.26 121.39 1siy h ALA 11 Ca -0.00 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1siy h ALA 11 Cb 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1siy h ALA 11 CO 0.00 -0.10 -0.40 1.96 0.00 0.00 0.00 179.25 180.72 1siy h GLN 12 N 0.57 0.77 0.00 0.00 1.08 -1.76 -2.82 115.11 112.95 1siy h GLN 12 Ca 0.39 -0.40 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1siy h GLN 12 Cb 0.50 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1siy h GLN 12 CO -0.33 1.03 0.00 0.00 -0.95 0.00 0.00 178.83 178.58 1siy h ILE 14 N 0.00 0.09 -0.63 0.00 2.04 -0.22 1.18 117.51 119.97 1siy h ILE 14 Ca 0.00 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1siy h ILE 14 Cb 0.92 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1siy h ILE 14 CO 0.00 0.01 0.42 1.23 0.00 0.00 0.00 178.15 179.81 1siy h GLY 15 N 0.08 0.75 0.48 5.37 0.00 -1.76 0.15 103.07 108.14 1siy h GLY 15 Ca 0.71 -0.24 -0.35 0.00 0.00 0.00 0.00 47.33 47.45 1siy h GLY 15 CO -0.78 0.17 -2.09 0.33 0.00 0.00 0.00 176.54 174.16 1siy n PHE 16 N -4.48 0.74 -0.31 5.60 7.35 0.16 -1.68 117.46 124.84 1siy n PHE 16 Ca 0.09 0.19 0.09 0.00 -0.76 0.00 0.00 57.45 57.07 1siy n PHE 16 Cb 0.27 -1.11 0.31 0.00 0.35 0.00 0.00 39.48 39.30 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 0.03 0.78 0.00 -2.13 5.85 0.18 -1.14 115.31 118.88 1siy h LEU 17 Ca -0.44 0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.09 1siy h LEU 17 Cb 2.03 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.91 1siy h LEU 17 CO 0.04 0.41 -1.74 1.67 -0.34 0.00 0.00 178.44 178.48 1siy n GLN 18 N -4.58 0.28 0.03 1.25 7.27 0.47 -2.15 117.38 119.95 1siy n GLN 18 Ca 0.18 0.12 -0.17 0.00 0.07 0.00 0.00 57.00 57.20 1siy n GLN 18 Cb 0.40 -0.98 -0.14 0.00 2.41 0.00 0.00 30.24 31.93 1siy n GLN 18 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1siy h LYS 19 N -0.47 0.21 0.00 3.69 1.57 -1.58 -3.45 116.57 116.55 1siy h LYS 19 Ca -0.34 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.08 1siy h LYS 19 Cb 1.30 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1siy h LYS 19 CO -0.20 1.03 0.00 0.41 -0.57 0.00 0.00 179.45 180.12 1siy n GLY 20 N 1.75 -1.88 0.00 3.86 0.00 -0.43 -4.95 105.19 103.55 1siy n GLY 20 Ca -0.21 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.06 1.50 3.21 -0.02 0.00 -1.26 -3.93 105.19 104.63 1siy n GLY 21 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 0.02 -0.29 1.61 0.11 -1.26 -5.08 120.40 115.51 1siy s VAL 22 Ca 0.00 -0.17 -0.21 0.00 -2.93 0.00 0.00 61.98 58.66 1siy s VAL 22 Cb 0.00 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1siy s VAL 22 CO 0.00 -0.10 0.69 -0.69 -3.33 0.00 0.00 175.10 171.67 1siy s VAL 23 N -0.35 4.90 0.36 2.04 1.01 -1.26 -4.56 120.40 122.54 1siy s VAL 23 Ca -0.05 1.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.78 1siy s VAL 23 Cb -0.03 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 1siy s VAL 23 CO 0.02 -0.13 0.89 -2.84 0.00 0.00 0.00 175.10 173.04 1siy s PRO 24 N 2.70 4.30 0.08 2.72 0.02 -1.26 -4.93 135.00 138.62 1siy s PRO 24 Ca 0.28 1.08 0.05 0.00 0.02 0.00 0.00 61.00 62.44 1siy s PRO 24 Cb -0.15 -2.47 0.29 0.00 0.02 0.00 0.00 34.50 32.19 1siy s PRO 24 CO 0.11 0.13 1.15 -0.35 -0.33 0.00 0.00 177.00 177.71 1siy n PRO 25 N -0.10 0.03 -0.04 5.54 -0.04 -1.26 -1.12 135.00 138.01 1siy n PRO 25 Ca 0.04 0.52 -0.14 0.00 -0.04 0.00 0.00 63.50 63.89 1siy n PRO 25 Cb 0.52 -1.63 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.28 -0.43 3.54 0.02 -1.97 -0.58 113.55 114.41 1siy h SER 26 Ca 0.00 -0.55 -0.04 0.00 -0.84 0.00 0.00 61.79 60.36 1siy h SER 26 Cb 0.03 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1siy h SER 26 CO 0.00 0.78 0.12 0.00 -1.14 0.00 0.00 176.83 176.59 1siy h THR 29 N 0.33 1.35 -0.49 0.00 2.02 -0.87 -1.88 112.91 113.37 1siy h THR 29 Ca 0.24 -1.51 -0.06 0.00 0.77 0.00 0.00 66.41 65.85 1siy h THR 29 Cb 0.51 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1siy h THR 29 CO -0.06 0.46 0.04 1.23 0.37 0.00 0.00 175.52 177.56 1siy h GLY 30 N 0.13 0.84 0.87 2.16 0.00 -0.43 0.18 103.07 106.82 1siy h GLY 30 Ca 0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1siy h GLY 30 CO 0.06 0.49 0.05 -2.08 0.00 0.00 0.00 176.54 175.07 1siy h VAL 31 N 0.74 1.22 -0.10 4.60 2.07 -0.12 -0.93 116.25 123.73 1siy h VAL 31 Ca 0.15 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1siy h VAL 31 Cb 0.39 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1siy h VAL 31 CO 0.01 0.24 0.03 0.11 0.02 0.00 0.00 177.57 177.97 1siy h LYS 32 N 0.23 0.13 0.08 1.57 1.57 -1.01 -1.25 116.57 117.90 1siy h LYS 32 Ca 0.08 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1siy h LYS 32 Cb 0.31 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1siy h LYS 32 CO 0.00 0.13 -0.04 -0.97 -0.57 0.00 0.00 179.45 178.00 1siy h ASN 33 N 0.14 -0.09 0.34 0.86 -0.73 -0.48 0.90 115.58 116.52 1siy h ASN 33 Ca 0.04 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.10 1siy h ASN 33 Cb 0.05 0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.67 1siy h ASN 33 CO -0.00 0.05 0.00 -0.38 -0.37 0.00 0.00 177.43 176.72 1siy n ILE 34 N -5.08 1.07 0.00 2.57 2.08 -0.40 0.36 119.36 119.96 1siy n ILE 34 Ca -0.08 0.45 0.00 0.00 0.56 0.00 0.00 62.75 63.68 1siy n ILE 34 Cb 0.12 -1.40 0.00 0.00 -0.75 0.00 0.00 39.64 37.61 1siy n ILE 34 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1siy n LEU 35 N -2.07 0.44 0.10 1.39 4.32 -0.57 -4.42 117.00 116.18 1siy n LEU 35 Ca 0.01 0.23 -0.18 0.00 -0.02 0.00 0.00 56.01 56.04 1siy n LEU 35 Cb 0.12 -0.38 -0.12 0.00 -1.62 0.00 0.00 43.42 41.43 1siy n LEU 35 CO 0.13 -0.38 -0.03 0.78 -1.22 0.00 0.00 177.39 176.67 1siy h ASN 36 N 0.00 0.61 0.30 -1.43 2.35 -0.77 -3.28 115.58 113.36 1siy h ASN 36 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 1siy h ASN 36 Cb 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1siy h ASN 36 CO 0.00 1.43 -0.22 -1.20 -1.65 0.00 0.00 177.43 175.79 1siy n SER 37 N -3.66 0.81 -4.56 5.81 7.64 0.16 -4.49 113.62 115.32 1siy n SER 37 Ca -0.10 -0.73 -0.27 0.00 1.01 0.00 0.00 58.87 58.77 1siy n SER 37 Cb 0.99 0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 64.20 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 -2.53 5.13 0.00 6.43 0.01 -0.70 -4.87 113.70 117.17 1siy s SER 38 Ca 0.25 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1siy s SER 38 Cb 0.19 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1siy s SER 38 CO 0.52 -2.81 0.37 0.54 0.41 0.00 0.00 173.24 172.27 1siy n ARG 39 N 8.71 0.00 -1.33 12.44 1.74 -1.26 -4.47 116.66 132.50 1siy n ARG 39 Ca 0.41 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.42 1siy n ARG 39 Cb 0.47 -0.87 0.04 0.00 -1.02 0.00 0.00 32.46 31.07 1siy n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1siy n THR 40 N -0.37 0.00 0.08 0.55 -2.24 -1.26 -4.76 114.28 106.27 1siy n THR 40 Ca 0.00 -0.54 -0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1siy n THR 40 Cb 0.00 -1.16 -0.06 0.00 -2.10 0.00 0.00 70.33 67.01 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 -0.38 0.81 -0.02 4.28 2.02 -1.98 0.40 112.91 118.05 1siy h THR 41 Ca -0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1siy h THR 41 Cb 0.41 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1siy h THR 41 CO 0.12 0.00 0.01 0.00 0.37 0.00 0.00 175.52 176.02 1siy h ALA 42 N 0.76 1.85 -0.00 6.16 0.00 -1.98 0.79 119.26 126.83 1siy h ALA 42 Ca 0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1siy h ALA 42 Cb 0.17 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1siy h ALA 42 CO -0.04 -0.02 -0.28 -0.44 0.00 0.00 0.00 179.25 178.47 1siy h ASP 43 N 0.00 0.26 0.66 0.00 3.32 -1.72 -2.59 116.42 116.34 1siy h ASP 43 Ca 0.01 -0.77 -0.15 0.00 0.02 0.00 0.00 57.03 56.15 1siy h ASP 43 Cb 0.04 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1siy h ASP 43 CO -0.00 0.99 -0.68 -0.09 -1.72 0.00 0.00 179.24 177.73 1siy h ARG 44 N -0.45 0.02 0.56 3.56 9.65 0.74 -0.91 114.38 127.55 1siy h ARG 44 Ca -0.03 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1siy h ARG 44 Cb 1.03 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.62 1siy h ARG 44 CO 0.06 0.70 -0.27 -0.09 2.80 0.00 0.00 179.97 183.16 1siy h ARG 45 N 0.02 -0.72 0.00 0.20 2.43 0.47 -3.15 114.38 113.62 1siy h ARG 45 Ca -0.01 0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1siy h ARG 45 Cb 1.21 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1siy h ARG 45 CO 0.09 -0.48 -0.32 0.00 -1.51 0.00 0.00 179.97 177.75 1siy h ALA 46 N -1.26 1.01 0.00 2.80 0.00 -1.50 -1.60 119.26 118.70 1siy h ALA 46 Ca -0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1siy h ALA 46 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1siy h ALA 46 CO 0.13 0.40 -0.25 -0.24 0.00 0.00 0.00 179.25 179.28 1siy h VAL 47 N 0.00 1.04 0.14 0.00 3.04 -1.26 0.27 116.25 119.49 1siy h VAL 47 Ca -0.00 -0.90 -0.25 0.00 -1.01 0.00 0.00 66.70 64.53 1siy h VAL 47 Cb 0.84 1.50 0.01 0.00 -2.01 0.00 0.00 31.29 31.64 1siy h VAL 47 CO 0.04 0.25 -1.22 0.00 -1.01 0.00 0.00 177.57 175.63 1siy h SER 49 N -0.26 0.00 0.46 0.00 0.02 -1.09 -1.21 113.55 111.47 1siy h SER 49 Ca -0.24 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.41 1siy h SER 49 Cb 1.78 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.28 1siy h SER 49 CO 0.12 0.13 -1.69 0.00 -1.14 0.00 0.00 176.83 174.25 1siy h LEU 51 N 0.02 -0.51 -1.42 0.00 7.12 -0.36 0.11 115.31 120.27 1siy h LEU 51 Ca -0.29 0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.81 1siy h LEU 51 Cb 2.00 0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 42.33 1siy h LEU 51 CO 0.09 -0.22 0.36 0.07 -0.13 0.00 0.00 178.44 178.61 1siy h LYS 52 N -0.24 0.74 -0.17 1.25 2.10 -1.40 -1.92 116.57 116.93 1siy h LYS 52 Ca 0.08 -0.05 -0.16 0.00 -2.00 0.00 0.00 60.65 58.52 1siy h LYS 52 Cb 0.35 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 1siy h LYS 52 CO -0.22 0.51 -0.57 0.00 -2.00 0.00 0.00 179.45 177.16 1siy h ALA 53 N 1.63 0.69 -0.30 0.07 0.00 -1.40 -2.96 119.26 117.00 1siy h ALA 53 Ca 0.20 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1siy h ALA 53 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1siy h ALA 53 CO -0.04 0.70 -0.16 0.00 0.00 0.00 0.00 179.25 179.75 1siy h ALA 54 N 0.97 1.18 0.00 0.00 0.00 -0.08 0.35 119.26 121.67 1siy h ALA 54 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1siy h ALA 54 Cb 1.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1siy h ALA 54 CO 0.11 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1siy h ALA 55 N 1.36 1.00 -0.01 0.00 0.00 -1.23 -2.11 119.26 118.27 1siy h ALA 55 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1siy h ALA 55 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1siy h ALA 55 CO 0.04 0.00 -0.15 0.41 0.00 0.00 0.00 179.25 179.55 1siy n GLY 56 N -0.20 -0.01 0.13 0.00 0.00 -0.57 -4.53 105.19 100.02 1siy n GLY 56 Ca -0.00 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 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 2.70 -0.03 -2.28 4.61 0.00 0.36 -3.44 119.26 121.18 1siy h ALA 57 Ca 0.00 -0.66 -0.56 0.00 0.00 0.00 0.00 54.91 53.69 1siy h ALA 57 Cb 0.55 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1siy h ALA 57 CO 0.00 0.39 0.54 0.54 0.00 0.00 0.00 179.25 180.72 1siy s VAL 58 N -2.74 4.80 -0.67 0.00 0.11 -1.19 -4.91 120.40 115.80 1siy s VAL 58 Ca -0.13 2.00 0.25 0.00 -2.93 0.00 0.00 61.98 61.17 1siy s VAL 58 Cb 0.02 -4.29 0.30 0.00 -1.53 0.00 0.00 36.38 30.88 1siy s VAL 58 CO 0.84 0.01 1.74 -0.09 -3.33 0.00 0.00 175.10 174.27 1siy h ARG 59 N 7.11 0.00 -0.50 1.54 9.65 -1.93 -3.13 114.38 127.11 1siy h ARG 59 Ca -0.31 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.34 1siy h ARG 59 Cb 1.15 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.59 1siy h ARG 59 CO 0.85 0.00 0.11 0.41 2.80 0.00 0.00 179.97 184.14 1siy n GLY 60 N 1.26 4.62 3.76 2.80 0.00 -1.26 -5.02 105.19 111.35 1siy n GLY 60 Ca 0.05 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1siy n GLY 60 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1siy n ILE 61 N -0.98 2.23 -3.76 -0.61 0.13 -1.19 -4.39 119.36 110.78 1siy n ILE 61 Ca 0.38 -0.50 -0.37 0.00 -1.10 0.00 0.00 62.75 61.15 1siy n ILE 61 Cb 1.18 -1.90 -0.12 0.00 -0.84 0.00 0.00 39.64 37.96 1siy n ILE 61 CO 0.00 0.00 0.00 0.20 2.80 0.00 0.00 176.55 179.55 1siy s ASN 62 N -0.25 5.28 0.53 9.51 -0.87 -0.92 -4.98 114.94 123.25 1siy s ASN 62 Ca 0.56 -1.30 0.20 0.00 -1.57 0.00 0.00 52.86 50.75 1siy s ASN 62 Cb -0.48 -1.85 1.38 0.00 -0.02 0.00 0.00 41.25 40.28 1siy s ASN 62 CO 0.62 -0.36 2.14 -0.65 -2.57 0.00 0.00 177.10 176.28 1siy h PRO 63 N 8.19 0.00 -0.52 -0.60 0.11 -1.94 0.15 132.00 137.38 1siy h PRO 63 Ca -0.22 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.79 1siy h PRO 63 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1siy h PRO 63 CO 0.62 0.05 -0.08 -0.97 -0.21 0.00 0.00 178.00 177.40 1siy h ASN 64 N 0.00 0.98 0.93 -2.05 -1.24 -1.95 -2.02 115.58 110.23 1siy h ASN 64 Ca -0.00 -0.34 -0.16 0.00 0.71 0.00 0.00 56.30 56.50 1siy h ASN 64 Cb 0.09 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 1siy h ASN 64 CO 0.01 1.09 -0.78 0.78 -1.29 0.00 0.00 177.43 177.24 1siy h ASN 65 N 0.85 0.00 -0.24 1.15 4.21 -1.26 -1.95 115.58 118.34 1siy h ASN 65 Ca 0.14 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.61 1siy h ASN 65 Cb 0.64 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.83 1siy h ASN 65 CO 0.04 0.78 0.01 0.00 -1.29 0.00 0.00 177.43 176.97 1siy h ALA 66 N 1.22 0.32 0.00 -0.83 0.00 -0.73 -2.53 119.26 116.72 1siy h ALA 66 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1siy h ALA 66 Cb 1.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1siy h ALA 66 CO 0.10 0.03 0.00 -1.91 0.00 0.00 0.00 179.25 177.47 1siy n GLU 67 N -4.67 0.11 0.09 0.00 4.07 -0.77 -2.64 120.64 116.83 1siy n GLU 67 Ca -0.04 0.25 -0.04 0.00 -0.06 0.00 0.00 57.16 57.28 1siy n GLU 67 Cb 0.22 -1.67 -0.07 0.00 -0.06 0.00 0.00 31.44 29.87 1siy n GLU 67 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1siy h ALA 68 N 2.53 0.47 0.18 4.31 0.00 -0.93 -3.37 119.26 122.45 1siy h ALA 68 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 54.91 54.17 1siy h ALA 68 Cb 0.43 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1siy h ALA 68 CO 0.00 1.02 -0.23 -0.07 0.00 0.00 0.00 179.25 179.97 1siy h LEU 69 N 0.00 -0.63 -2.72 0.00 3.38 -1.26 0.27 115.31 114.35 1siy h LEU 69 Ca -0.01 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1siy h LEU 69 Cb 1.63 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 1siy h LEU 69 CO 0.11 -0.33 -0.01 1.55 0.09 0.00 0.00 178.44 179.85 1siy h PRO 70 N -0.47 0.00 0.06 1.13 0.13 -1.76 -2.58 132.00 128.50 1siy h PRO 70 Ca 0.01 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.96 1siy h PRO 70 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1siy h PRO 70 CO -0.09 0.01 -0.93 0.78 -0.23 0.00 0.00 178.00 177.54 1siy h GLY 71 N 0.17 0.14 1.22 1.56 0.00 -1.48 0.59 103.07 105.26 1siy h GLY 71 Ca -0.00 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.00 1siy h GLY 71 CO 0.00 0.30 0.49 0.50 0.00 0.00 0.00 176.54 177.84 1siy h LYS 72 N -0.68 0.93 -0.45 4.80 1.79 -0.69 -0.92 116.57 121.35 1siy h LYS 72 Ca -0.22 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1siy h LYS 72 Cb 1.42 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1siy h LYS 72 CO -0.02 0.62 0.00 0.00 -1.08 0.00 0.00 179.45 178.97 1siy n GLY 74 N 1.40 -0.49 1.13 0.00 0.00 -0.35 -4.91 105.19 101.97 1siy n GLY 74 Ca 0.19 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.12 0.08 -2.63 1.61 0.24 0.08 -5.04 118.33 108.55 1siy n VAL 75 Ca -0.25 0.03 -0.04 0.00 -2.04 0.00 0.00 64.34 62.04 1siy n VAL 75 Cb 0.66 -1.38 -0.03 0.00 -1.47 0.00 0.00 33.84 31.61 1siy n VAL 75 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1siy n ASN 76 N -2.98 -2.90 -4.89 -1.34 2.85 -0.50 -5.00 115.26 100.50 1siy n ASN 76 Ca 0.00 1.34 -0.35 0.00 -0.11 0.00 0.00 54.58 55.46 1siy n ASN 76 Cb 0.41 -4.45 -0.05 0.00 1.24 0.00 0.00 39.78 36.93 1siy n ASN 76 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1siy s ILE 77 N -0.51 5.46 0.00 -1.44 -0.00 -1.26 -4.99 121.20 118.46 1siy s ILE 77 Ca -0.19 0.08 -0.03 0.00 -0.00 0.00 0.00 60.65 60.52 1siy s ILE 77 Cb 0.01 -3.47 -0.12 0.00 -0.00 0.00 0.00 42.46 38.89 1siy s ILE 77 CO 0.51 0.49 2.26 -0.81 -0.00 0.00 0.00 174.94 177.39 1siy n PRO 78 N 1.53 1.17 -3.71 0.37 -0.04 -1.26 -4.81 135.00 128.25 1siy n PRO 78 Ca -0.16 -0.43 -0.25 0.00 -0.04 0.00 0.00 63.50 62.62 1siy n PRO 78 Cb 0.54 -1.56 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 1siy n PRO 78 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1siy n TYR 79 N 2.21 -0.77 0.41 0.54 4.01 -1.26 -5.03 117.16 117.27 1siy n TYR 79 Ca 0.19 -2.27 0.11 0.00 -0.16 0.00 0.00 57.90 55.77 1siy n TYR 79 Cb 0.55 -0.45 0.04 0.00 -0.31 0.00 0.00 39.34 39.17 1siy n TYR 79 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1siy n LYS 80 N -1.82 0.39 -0.55 -0.72 4.76 -1.26 -4.92 118.16 114.05 1siy n LYS 80 Ca -0.00 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1siy n LYS 80 Cb 0.61 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.20 0.00 -3.25 -0.18 2.08 -1.26 -4.94 119.36 109.61 1siy n ILE 81 Ca 0.01 0.00 -0.20 0.00 0.56 0.00 0.00 62.75 63.13 1siy n ILE 81 Cb 0.47 -0.34 0.01 0.00 -0.75 0.00 0.00 39.64 39.03 1siy n ILE 81 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1siy s SER 82 N -2.25 5.22 0.06 4.38 1.04 -1.26 -4.90 113.70 115.99 1siy s SER 82 Ca 0.00 -0.73 -0.11 0.00 0.48 0.00 0.00 55.95 55.59 1siy s SER 82 Cb 0.00 -0.21 -0.30 0.00 0.10 0.00 0.00 66.02 65.61 1siy s SER 82 CO 0.00 -0.96 1.09 0.74 0.98 0.00 0.00 173.24 175.09 1siy h THR 83 N 0.60 1.37 0.00 2.02 2.02 -1.93 -3.35 112.91 113.64 1siy h THR 83 Ca -0.37 -2.78 -0.44 0.00 0.77 0.00 0.00 66.41 63.59 1siy h THR 83 Cb 1.28 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 70.60 1siy h THR 83 CO 0.48 0.83 2.16 -1.20 0.37 0.00 0.00 175.52 178.15 1siy n SER 84 N -3.67 6.73 -0.12 4.18 7.64 -1.26 -4.07 113.62 123.05 1siy n SER 84 Ca -0.13 -2.46 -0.20 0.00 1.01 0.00 0.00 58.87 57.09 1siy n SER 84 Cb 1.04 -1.39 -0.11 0.00 -1.01 0.00 0.00 64.21 62.74 1siy n SER 84 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1siy n THR 85 N 3.29 1.41 -2.53 0.44 -1.04 -1.26 -5.06 114.28 109.54 1siy n THR 85 Ca 0.59 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.05 62.07 1siy n THR 85 Cb 0.43 -1.49 -0.03 0.00 -1.82 0.00 0.00 70.33 67.43 1siy n THR 85 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1siy n ASN 86 N -3.46 -2.66 -0.58 8.00 5.15 -1.26 -4.97 115.26 115.48 1siy n ASN 86 Ca -0.45 1.26 0.06 0.00 -0.60 0.00 0.00 54.58 54.84 1siy n ASN 86 Cb 0.94 -4.92 0.16 0.00 -0.53 0.00 0.00 39.78 35.43 1siy n ASN 86 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1siy n ASN 88 N -0.12 0.00 -3.21 0.00 3.02 -1.26 -4.06 115.26 109.62 1siy n ASN 88 Ca 0.13 -0.13 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 1siy n ASN 88 Cb 0.57 -0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.40 1siy n ASN 88 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1siy s SER 89 N -2.56 0.39 0.00 6.41 0.01 -1.26 -4.96 113.70 111.74 1siy s SER 89 Ca 0.27 -1.96 0.00 0.00 1.31 0.00 0.00 55.95 55.57 1siy s SER 89 Cb 0.19 0.73 0.00 0.00 0.21 0.00 0.00 66.02 67.15 1siy s SER 89 CO 0.42 -0.18 0.00 2.30 0.41 0.00 0.00 173.24 176.20 1siy n ILE 90 N 3.56 0.00 0.16 1.44 -5.35 -1.26 -5.12 119.36 112.79 1siy n ILE 90 Ca 0.18 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.68 1siy n ILE 90 Cb 0.49 -0.29 0.02 0.00 -1.74 0.00 0.00 39.64 38.12 1siy n ILE 90 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59