#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 0.02 -2.00 1.12 -1.32 -1.26 -4.96 115.64 107.24 1siy s THR 2 Ca 0.00 -0.31 0.01 0.00 -1.21 0.00 0.00 61.69 60.18 1siy s THR 2 Cb 0.00 -1.18 0.03 0.00 -1.51 0.00 0.00 72.50 69.85 1siy s THR 2 CO 0.00 -0.10 0.62 0.00 -2.21 0.00 0.00 174.62 172.93 1siy n GLY 4 N 0.07 -0.67 0.15 0.00 0.00 -1.26 -3.69 105.19 99.78 1siy n GLY 4 Ca 0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.11 1.61 4.15 -0.73 -1.66 115.11 118.81 1siy h GLN 5 Ca 0.00 -0.27 -0.06 0.00 0.77 0.00 0.00 58.65 59.09 1siy h GLN 5 Cb 0.63 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1siy h GLN 5 CO 0.00 0.86 -0.21 0.28 -1.93 0.00 0.00 178.83 177.83 1siy h VAL 6 N 0.06 1.21 -0.88 2.39 2.07 -1.74 -1.77 116.25 117.59 1siy h VAL 6 Ca 0.01 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1siy h VAL 6 Cb 0.83 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1siy h VAL 6 CO 0.06 0.29 0.58 1.56 0.02 0.00 0.00 177.57 180.08 1siy h GLN 7 N 0.17 1.14 0.00 1.57 4.20 -1.59 0.25 115.11 120.85 1siy h GLN 7 Ca 0.03 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1siy h GLN 7 Cb 0.48 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1siy h GLN 7 CO 0.03 0.75 0.00 0.41 -0.67 0.00 0.00 178.83 179.36 1siy n GLY 8 N -1.34 -0.73 0.03 3.46 0.00 -0.64 0.76 105.19 106.73 1siy n GLY 8 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 0.91 1.61 -0.73 -0.93 -3.38 115.58 113.06 1siy h ASN 9 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1siy h ASN 9 Cb 0.11 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1siy h ASN 9 CO 0.00 0.34 -0.59 0.18 -0.37 0.00 0.00 177.43 177.00 1siy n LEU 10 N -3.37 0.72 0.17 0.34 4.77 -0.26 -3.55 117.00 115.82 1siy n LEU 10 Ca -0.03 0.25 0.13 0.00 -0.03 0.00 0.00 56.01 56.33 1siy n LEU 10 Cb 0.11 -0.19 0.35 0.00 -2.33 0.00 0.00 43.42 41.36 1siy n LEU 10 CO 0.04 -0.07 0.87 0.00 -1.33 0.00 0.00 177.39 176.90 1siy h ALA 11 N 2.50 1.00 0.17 -1.18 0.00 0.14 0.90 119.26 122.79 1siy h ALA 11 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1siy h ALA 11 Cb 0.75 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1siy h ALA 11 CO 0.00 0.00 -1.60 1.96 0.00 0.00 0.00 179.25 179.61 1siy h GLN 12 N 0.00 0.35 -0.01 0.00 4.20 -1.70 -3.34 115.11 114.61 1siy h GLN 12 Ca 0.00 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.11 1siy h GLN 12 Cb 0.78 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1siy h GLN 12 CO 0.00 1.29 -0.18 0.00 -0.67 0.00 0.00 178.83 179.27 1siy h ILE 14 N 1.55 0.31 0.48 0.00 2.10 -0.94 0.69 117.51 121.71 1siy h ILE 14 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 1siy h ILE 14 Cb 0.51 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 1siy h ILE 14 CO 0.00 0.00 -0.23 1.23 -1.08 0.00 0.00 178.15 178.07 1siy h GLY 15 N 0.00 -0.67 0.61 8.18 0.00 -1.82 0.19 103.07 109.56 1siy h GLY 15 Ca 0.09 0.25 0.11 0.00 0.00 0.00 0.00 47.33 47.78 1siy h GLY 15 CO -0.00 -0.24 0.60 -2.75 0.00 0.00 0.00 176.54 174.15 1siy h PHE 16 N -0.73 1.03 -0.86 5.60 3.57 -1.61 0.55 116.94 124.48 1siy h PHE 16 Ca -0.07 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.55 1siy h PHE 16 Cb 0.49 -0.33 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 1siy h PHE 16 CO 0.09 0.45 0.51 -0.07 -2.23 0.00 0.00 178.31 177.05 1siy h LEU 17 N 0.93 0.76 0.00 0.59 4.07 0.41 -0.76 115.31 121.31 1siy h LEU 17 Ca 0.45 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.45 1siy h LEU 17 Cb 0.45 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1siy h LEU 17 CO -0.21 0.45 -0.40 -0.61 -1.08 0.00 0.00 178.44 176.59 1siy h GLN 18 N 0.88 0.00 0.00 1.13 4.15 0.56 -3.21 115.11 118.62 1siy h GLN 18 Ca 0.40 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.79 1siy h GLN 18 Cb 0.31 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1siy h GLN 18 CO -0.22 0.00 -1.46 1.17 -1.93 0.00 0.00 178.83 176.38 1siy n LYS 19 N -4.32 0.63 -1.36 1.69 3.00 0.18 -4.60 118.16 113.38 1siy n LYS 19 Ca -0.06 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1siy n LYS 19 Cb 0.21 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.54 1siy n LYS 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1siy n GLY 20 N 1.25 -2.60 0.00 3.14 0.00 -0.29 -4.99 105.19 101.70 1siy n GLY 20 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.03 3.11 3.26 -0.02 0.00 -1.26 -4.93 105.19 105.38 1siy n GLY 21 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 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 2.26 1.32 -0.30 1.61 -7.23 -1.26 -4.97 120.40 111.83 1siy s VAL 22 Ca 0.00 -1.91 -0.07 0.00 -1.81 0.00 0.00 61.98 58.19 1siy s VAL 22 Cb 0.00 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.24 1siy s VAL 22 CO 0.00 -0.56 0.09 -0.69 -0.31 0.00 0.00 175.10 173.63 1siy s VAL 23 N -2.68 4.04 0.41 1.32 1.01 -1.26 -4.62 120.40 118.62 1siy s VAL 23 Ca 0.13 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1siy s VAL 23 Cb -0.02 -3.10 -0.08 0.00 0.00 0.00 0.00 36.38 33.18 1siy s VAL 23 CO 0.03 0.05 0.83 -2.16 0.00 0.00 0.00 175.10 173.85 1siy s PRO 24 N 1.51 3.94 0.20 2.72 0.05 -1.26 -4.95 135.00 137.21 1siy s PRO 24 Ca 0.03 0.73 0.15 0.00 0.05 0.00 0.00 61.00 61.95 1siy s PRO 24 Cb -0.17 -2.31 0.77 0.00 0.05 0.00 0.00 34.50 32.83 1siy s PRO 24 CO 0.03 -0.03 1.46 -0.35 0.05 0.00 0.00 177.00 178.16 1siy n PRO 25 N -1.01 0.10 0.17 0.56 -0.04 -1.26 -1.31 135.00 132.21 1siy n PRO 25 Ca 0.04 0.54 -0.10 0.00 -0.04 0.00 0.00 63.50 63.94 1siy n PRO 25 Cb 0.54 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.42 -0.73 3.54 0.02 -1.99 -0.01 113.55 113.97 1siy h SER 26 Ca 0.00 -0.10 0.11 0.00 -0.84 0.00 0.00 61.79 60.96 1siy h SER 26 Cb 0.07 0.11 -0.08 0.00 0.14 0.00 0.00 62.40 62.64 1siy h SER 26 CO 0.00 0.03 0.35 0.00 -1.14 0.00 0.00 176.83 176.07 1siy h THR 29 N 0.00 1.52 -0.50 0.00 2.02 0.68 -1.48 112.91 115.15 1siy h THR 29 Ca -0.00 -2.94 -0.11 0.00 0.77 0.00 0.00 66.41 64.13 1siy h THR 29 Cb 0.11 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 1siy h THR 29 CO 0.01 0.86 -0.13 1.23 0.37 0.00 0.00 175.52 177.85 1siy h GLY 30 N 1.80 1.02 0.85 2.16 0.00 0.27 0.44 103.07 109.59 1siy h GLY 30 Ca -0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 1siy h GLY 30 CO 0.17 0.75 0.04 -2.08 0.00 0.00 0.00 176.54 175.42 1siy h VAL 31 N 0.83 1.17 -0.24 4.60 2.07 -0.63 -1.62 116.25 122.43 1siy h VAL 31 Ca 0.13 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1siy h VAL 31 Cb 0.67 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1siy h VAL 31 CO 0.05 0.15 0.16 0.50 0.02 0.00 0.00 177.57 178.45 1siy h LYS 32 N 0.00 0.30 0.15 1.57 1.63 -1.07 -1.50 116.57 117.64 1siy h LYS 32 Ca 0.04 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1siy h LYS 32 Cb 0.20 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1siy h LYS 32 CO -0.00 0.20 -0.13 -0.97 -3.45 0.00 0.00 179.45 175.10 1siy h ASN 33 N 0.31 -0.33 0.30 4.20 -0.73 0.33 0.43 115.58 120.09 1siy h ASN 33 Ca 0.09 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.29 1siy h ASN 33 Cb -0.00 0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1siy h ASN 33 CO -0.02 -0.20 0.00 -0.38 -0.37 0.00 0.00 177.43 176.46 1siy n ILE 34 N -5.25 1.20 -0.04 2.57 2.08 -0.64 0.96 119.36 120.25 1siy n ILE 34 Ca -0.08 0.45 -0.02 0.00 0.56 0.00 0.00 62.75 63.66 1siy n ILE 34 Cb 0.17 -1.38 -0.01 0.00 -0.75 0.00 0.00 39.64 37.67 1siy n ILE 34 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1siy h LEU 35 N 0.00 0.00 0.01 1.39 4.07 -0.56 -3.39 115.31 116.83 1siy h LEU 35 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1siy h LEU 35 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1siy h LEU 35 CO 0.00 0.44 -0.11 -1.13 -1.08 0.00 0.00 178.44 176.56 1siy h ASN 36 N -0.62 0.09 1.24 -0.43 -0.73 0.03 -3.34 115.58 111.82 1siy h ASN 36 Ca 0.00 -0.85 0.00 0.00 1.87 0.00 0.00 56.30 57.32 1siy h ASN 36 Cb 0.26 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.83 1siy h ASN 36 CO 0.00 0.93 -0.02 -0.24 -0.37 0.00 0.00 177.43 177.73 1siy n SER 37 N -4.59 0.45 -4.56 1.15 2.88 0.27 -4.31 113.62 104.91 1siy n SER 37 Ca -0.10 0.52 -0.32 0.00 -1.33 0.00 0.00 58.87 57.64 1siy n SER 37 Cb 0.47 -0.63 -0.04 0.00 -0.75 0.00 0.00 64.21 63.25 1siy n SER 37 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1siy s SER 38 N -3.83 5.58 -0.03 -3.46 1.04 -0.87 -4.80 113.70 107.33 1siy s SER 38 Ca 0.12 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 55.68 1siy s SER 38 Cb 0.15 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.70 1siy s SER 38 CO 0.57 -2.34 -0.04 -1.14 0.98 0.00 0.00 173.24 171.27 1siy n ARG 39 N 8.89 0.09 -1.65 4.02 3.00 -1.26 -4.65 116.66 125.11 1siy n ARG 39 Ca 0.36 0.24 -0.19 0.00 -0.00 0.00 0.00 57.85 58.26 1siy n ARG 39 Cb 0.48 -0.87 0.12 0.00 0.00 0.00 0.00 32.46 32.19 1siy n ARG 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1siy n THR 40 N -2.75 0.00 -0.18 5.15 -2.24 -1.26 -4.70 114.28 108.30 1siy n THR 40 Ca -0.02 -0.89 -0.09 0.00 -2.27 0.00 0.00 64.05 60.78 1siy n THR 40 Cb 0.06 -1.38 0.01 0.00 -2.10 0.00 0.00 70.33 66.92 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 -1.11 1.26 0.00 4.28 2.02 -1.95 0.52 112.91 117.93 1siy h THR 41 Ca -0.28 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1siy h THR 41 Cb 0.86 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1siy h THR 41 CO 0.23 0.36 0.00 0.00 0.37 0.00 0.00 175.52 176.48 1siy h ALA 42 N 0.96 1.00 0.07 6.16 0.00 -1.93 0.19 119.26 125.70 1siy h ALA 42 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.80 1siy h ALA 42 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1siy h ALA 42 CO 0.02 0.00 -1.35 -0.44 0.00 0.00 0.00 179.25 177.48 1siy h ASP 43 N 0.00 0.24 -0.39 0.00 5.19 -1.67 -3.35 116.42 116.44 1siy h ASP 43 Ca 0.00 -0.77 -0.02 0.00 -0.62 0.00 0.00 57.03 55.62 1siy h ASP 43 Cb 0.28 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1siy h ASP 43 CO 0.00 1.57 0.03 0.54 -3.12 0.00 0.00 179.24 178.26 1siy n ARG 44 N -4.06 3.40 -2.70 3.56 1.74 0.17 -2.03 116.66 116.75 1siy n ARG 44 Ca -0.27 -2.02 -0.07 0.00 -0.77 0.00 0.00 57.85 54.72 1siy n ARG 44 Cb 0.82 -1.98 0.06 0.00 -1.02 0.00 0.00 32.46 30.34 1siy n ARG 44 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1siy n ARG 45 N 0.34 1.26 0.00 5.56 3.00 0.63 -4.20 116.66 123.25 1siy n ARG 45 Ca 0.19 -2.84 0.00 0.00 -0.00 0.00 0.00 57.85 55.20 1siy n ARG 45 Cb 0.89 -0.93 0.00 0.00 0.00 0.00 0.00 32.46 32.42 1siy n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1siy n ALA 46 N -0.36 0.00 -0.25 5.13 0.00 -0.44 -4.84 120.51 119.76 1siy n ALA 46 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 1siy n ALA 46 Cb 0.83 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.38 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 1.25 -0.17 0.00 3.04 -1.45 -0.76 116.25 118.16 1siy h VAL 47 Ca 0.00 -0.82 -0.18 0.00 -1.01 0.00 0.00 66.70 64.69 1siy h VAL 47 Cb 0.00 0.39 -0.00 0.00 -2.01 0.00 0.00 31.29 29.67 1siy h VAL 47 CO 0.00 0.33 -0.63 0.00 -1.01 0.00 0.00 177.57 176.25 1siy h SER 49 N 0.45 -0.50 0.52 0.00 0.02 0.99 -2.77 113.55 112.27 1siy h SER 49 Ca -0.01 0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.87 1siy h SER 49 Cb 1.21 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 1siy h SER 49 CO 0.12 -0.21 -0.72 0.00 -1.14 0.00 0.00 176.83 174.88 1siy h LEU 51 N 0.11 0.28 -0.57 0.00 5.85 0.06 0.23 115.31 121.27 1siy h LEU 51 Ca -0.02 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1siy h LEU 51 Cb 1.28 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1siy h LEU 51 CO 0.11 0.14 -0.03 0.11 -0.34 0.00 0.00 178.44 178.42 1siy h LYS 52 N 0.45 1.02 -0.22 1.25 1.57 -1.50 -1.31 116.57 117.84 1siy h LYS 52 Ca 0.36 -0.34 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 1siy h LYS 52 Cb 0.47 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1siy h LYS 52 CO -0.34 1.03 -0.56 0.00 -0.57 0.00 0.00 179.45 179.01 1siy h ALA 53 N 0.96 0.61 -0.22 3.86 0.00 -1.32 -0.43 119.26 122.71 1siy h ALA 53 Ca 0.16 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1siy h ALA 53 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1siy h ALA 53 CO 0.04 0.69 -0.11 0.00 0.00 0.00 0.00 179.25 179.86 1siy h ALA 54 N 0.86 0.31 0.00 0.00 0.00 -0.49 0.20 119.26 120.15 1siy h ALA 54 Ca 0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1siy h ALA 54 Cb 1.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1siy h ALA 54 CO 0.11 0.17 -0.26 0.00 0.00 0.00 0.00 179.25 179.27 1siy h ALA 55 N 0.71 1.01 -0.13 0.00 0.00 -1.25 -2.53 119.26 117.06 1siy h ALA 55 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1siy h ALA 55 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1siy h ALA 55 CO 0.03 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1siy n GLY 56 N 0.21 0.85 0.13 0.00 0.00 -0.17 -3.97 105.19 102.23 1siy n GLY 56 Ca 0.00 -0.61 0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 0.97 2.73 -1.08 4.61 0.00 0.70 -4.91 120.51 123.53 1siy n ALA 57 Ca 0.17 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 1siy n ALA 57 Cb 0.51 -1.35 0.21 0.00 0.00 0.00 0.00 19.45 18.82 1siy n ALA 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1siy s VAL 58 N -2.40 1.79 -0.09 0.00 -7.23 -1.25 -5.08 120.40 106.15 1siy s VAL 58 Ca 0.31 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.42 1siy s VAL 58 Cb 0.20 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.71 1siy s VAL 58 CO 0.45 0.00 0.22 0.00 -0.31 0.00 0.00 175.10 175.46 1siy s ARG 59 N -5.16 0.22 0.00 4.82 1.70 -1.26 -4.68 118.95 114.59 1siy s ARG 59 Ca 0.68 0.37 0.00 0.00 -0.47 0.00 0.00 55.73 56.31 1siy s ARG 59 Cb -0.15 0.03 0.00 0.00 -0.57 0.00 0.00 34.95 34.26 1siy s ARG 59 CO 0.57 -0.08 0.00 0.41 -1.08 0.00 0.00 175.30 175.12 1siy n GLY 60 N 3.43 2.19 0.07 3.88 0.00 -1.26 -4.75 105.19 108.74 1siy n GLY 60 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1siy n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1siy n ILE 61 N 0.00 -1.17 -3.51 -0.61 2.08 -1.26 -4.92 119.36 109.96 1siy n ILE 61 Ca 0.00 0.10 -0.42 0.00 0.56 0.00 0.00 62.75 62.99 1siy n ILE 61 Cb 0.00 -0.14 -0.06 0.00 -0.75 0.00 0.00 39.64 38.69 1siy n ILE 61 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1siy s ASN 62 N -2.07 6.04 -0.10 4.38 6.03 -1.21 -4.73 114.94 123.28 1siy s ASN 62 Ca 0.00 -2.75 -0.08 0.00 -1.03 0.00 0.00 52.86 49.00 1siy s ASN 62 Cb 0.00 -2.04 -0.06 0.00 -3.03 0.00 0.00 41.25 36.11 1siy s ASN 62 CO 0.00 -0.48 0.24 -0.65 -2.03 0.00 0.00 177.10 174.18 1siy h PRO 63 N 7.45 -0.06 0.07 3.55 0.11 -1.91 -3.22 132.00 137.99 1siy h PRO 63 Ca 0.04 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.90 1siy h PRO 63 Cb 1.00 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1siy h PRO 63 CO 0.74 0.15 -1.18 -0.97 -0.21 0.00 0.00 178.00 176.54 1siy h ASN 64 N -1.01 0.24 0.46 -2.05 -0.73 -1.96 -3.36 115.58 107.18 1siy h ASN 64 Ca -0.01 -0.26 -0.13 0.00 1.87 0.00 0.00 56.30 57.77 1siy h ASN 64 Cb 0.24 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1siy h ASN 64 CO 0.01 1.21 -0.58 0.78 -0.37 0.00 0.00 177.43 178.48 1siy h ASN 65 N 0.04 0.14 -0.21 1.15 2.35 -1.88 -0.75 115.58 116.41 1siy h ASN 65 Ca -0.09 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1siy h ASN 65 Cb 1.89 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 40.22 1siy h ASN 65 CO 0.17 0.69 -0.00 0.00 -1.65 0.00 0.00 177.43 176.63 1siy h ALA 66 N 1.31 0.29 0.00 -0.83 0.00 -1.69 -1.82 119.26 116.53 1siy h ALA 66 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1siy h ALA 66 Cb 1.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1siy h ALA 66 CO 0.08 0.01 0.00 -1.91 0.00 0.00 0.00 179.25 177.44 1siy n GLU 67 N -4.67 0.05 0.07 0.00 4.07 -1.13 -3.38 120.64 115.65 1siy n GLU 67 Ca -0.04 0.03 -0.20 0.00 -0.06 0.00 0.00 57.16 56.88 1siy n GLU 67 Cb 0.24 -1.50 -0.15 0.00 -0.06 0.00 0.00 31.44 29.97 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 2.99 0.21 -0.22 4.31 0.00 -0.72 -3.39 119.26 122.44 1siy h ALA 68 Ca 0.00 -1.14 0.06 0.00 0.00 0.00 0.00 54.91 53.83 1siy h ALA 68 Cb 0.45 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1siy h ALA 68 CO 0.00 1.08 -0.30 1.25 0.00 0.00 0.00 179.25 181.28 1siy h LEU 69 N 0.09 -0.95 -2.49 0.00 5.85 -1.35 0.54 115.31 117.00 1siy h LEU 69 Ca -0.31 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1siy h LEU 69 Cb 2.07 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 43.52 1siy h LEU 69 CO 0.17 -0.33 -0.00 1.55 -0.34 0.00 0.00 178.44 179.49 1siy h PRO 70 N -0.32 0.00 -0.06 5.25 0.13 -1.77 -1.14 132.00 134.09 1siy h PRO 70 Ca 0.13 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.10 1siy h PRO 70 Cb 0.52 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.66 1siy h PRO 70 CO -0.40 0.00 -0.56 0.78 -0.23 0.00 0.00 178.00 177.59 1siy h GLY 71 N 0.01 0.53 0.97 1.56 0.00 -1.16 0.28 103.07 105.26 1siy h GLY 71 Ca -0.00 -0.82 0.01 0.00 0.00 0.00 0.00 47.33 46.52 1siy h GLY 71 CO 0.00 0.73 0.22 0.50 0.00 0.00 0.00 176.54 177.98 1siy h LYS 72 N 0.03 0.43 -0.28 4.80 1.79 0.12 -2.61 116.57 120.85 1siy h LYS 72 Ca -0.05 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1siy h LYS 72 Cb 1.23 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1siy h LYS 72 CO 0.11 0.28 0.00 0.00 -1.08 0.00 0.00 179.45 178.77 1siy n GLY 74 N 1.07 -0.11 2.70 0.00 0.00 -0.98 -4.96 105.19 102.90 1siy n GLY 74 Ca 0.13 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.05 1.24 -2.43 1.61 0.24 0.07 -5.03 118.33 109.98 1siy n VAL 75 Ca -0.10 -4.68 -0.39 0.00 -2.04 0.00 0.00 64.34 57.13 1siy n VAL 75 Cb 0.59 -2.08 -0.03 0.00 -1.47 0.00 0.00 33.84 30.85 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 -1.43 6.08 0.18 -1.34 3.84 -1.25 -4.67 114.94 116.34 1siy s ASN 76 Ca 0.30 -0.82 0.02 0.00 0.21 0.00 0.00 52.86 52.56 1siy s ASN 76 Cb 0.02 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 38.12 1siy s ASN 76 CO -0.14 -1.88 0.33 0.27 -2.79 0.00 0.00 177.10 172.90 1siy s ILE 77 N 6.34 5.28 0.09 -5.21 -4.36 -1.26 -5.05 121.20 117.03 1siy s ILE 77 Ca 0.48 -0.60 -0.28 0.00 -0.26 0.00 0.00 60.65 59.98 1siy s ILE 77 Cb -0.05 -3.75 -0.14 0.00 1.25 0.00 0.00 42.46 39.77 1siy s ILE 77 CO 0.03 -0.15 1.66 -0.65 0.24 0.00 0.00 174.94 176.06 1siy h PRO 78 N 1.97 -0.51 -7.53 0.37 0.11 -2.06 -3.44 132.00 120.91 1siy h PRO 78 Ca -0.49 0.03 -0.45 0.00 0.11 0.00 0.00 66.00 65.20 1siy h PRO 78 Cb 1.20 0.12 0.14 0.00 0.11 0.00 0.00 31.00 32.56 1siy h PRO 78 CO 0.68 -0.34 0.31 1.52 -0.21 0.00 0.00 178.00 179.95 1siy s TYR 79 N -6.09 2.26 -0.12 0.65 -0.85 -1.26 -5.05 117.35 106.89 1siy s TYR 79 Ca -0.16 0.76 0.02 0.00 -0.52 0.00 0.00 57.07 57.17 1siy s TYR 79 Cb 0.06 -3.48 -0.00 0.00 0.38 0.00 0.00 41.96 38.91 1siy s TYR 79 CO 0.64 -2.50 -0.20 0.15 -1.52 0.00 0.00 175.55 172.13 1siy s LYS 80 N -5.38 3.15 0.35 -3.49 -0.14 -1.26 -4.96 119.74 108.01 1siy s LYS 80 Ca 0.65 -0.81 0.27 0.00 -1.36 0.00 0.00 55.97 54.72 1siy s LYS 80 Cb -0.13 -2.45 0.96 0.00 -1.68 0.00 0.00 37.83 34.53 1siy s LYS 80 CO 0.53 0.14 1.78 0.97 -0.76 0.00 0.00 175.35 178.01 1siy h ILE 81 N 5.64 0.00 0.00 2.17 -0.00 -1.90 -3.34 117.51 120.07 1siy h ILE 81 Ca -0.24 -0.46 0.00 0.00 -0.00 0.00 0.00 64.86 64.16 1siy h ILE 81 Cb 1.22 1.36 0.00 0.00 -0.00 0.00 0.00 36.82 39.40 1siy h ILE 81 CO 0.52 0.00 0.00 -1.20 -0.00 0.00 0.00 178.15 177.47 1siy n SER 82 N -2.58 2.35 -1.29 2.19 7.64 -1.26 -4.70 113.62 115.97 1siy n SER 82 Ca 0.03 -1.46 -0.15 0.00 1.01 0.00 0.00 58.87 58.30 1siy n SER 82 Cb 0.33 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 1siy n SER 82 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1siy n THR 83 N 0.94 0.00 -3.55 0.44 -2.24 -1.25 -4.88 114.28 103.74 1siy n THR 83 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1siy n THR 83 Cb 0.32 -1.52 -0.11 0.00 -2.10 0.00 0.00 70.33 66.92 1siy n THR 83 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1siy s SER 84 N -2.34 2.63 0.12 3.42 0.15 -1.26 -5.04 113.70 111.37 1siy s SER 84 Ca 0.00 -3.04 -0.25 0.00 0.70 0.00 0.00 55.95 53.36 1siy s SER 84 Cb 0.00 -0.75 0.08 0.00 -1.71 0.00 0.00 66.02 63.63 1siy s SER 84 CO 0.00 -0.19 0.69 0.28 1.20 0.00 0.00 173.24 175.23 1siy s THR 85 N -0.06 0.00 -0.92 6.45 -1.32 -1.26 -4.49 115.64 114.05 1siy s THR 85 Ca 0.27 -0.06 -0.23 0.00 -1.21 0.00 0.00 61.69 60.46 1siy s THR 85 Cb -0.06 -1.07 0.06 0.00 -1.51 0.00 0.00 72.50 69.92 1siy s THR 85 CO -0.13 0.00 1.32 0.21 -2.21 0.00 0.00 174.62 173.81 1siy s ASN 86 N -2.69 6.42 -1.38 8.08 2.47 -1.26 -4.90 114.94 121.69 1siy s ASN 86 Ca 0.03 -1.29 -0.08 0.00 0.42 0.00 0.00 52.86 51.94 1siy s ASN 86 Cb -0.01 -2.53 0.09 0.00 -1.45 0.00 0.00 41.25 37.35 1siy s ASN 86 CO -0.11 -1.51 2.33 0.00 -3.72 0.00 0.00 177.10 174.10 1siy n ASN 88 N 3.03 1.32 -0.13 0.00 4.13 -1.26 -3.94 115.26 118.41 1siy n ASN 88 Ca 0.58 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.66 1siy n ASN 88 Cb 0.29 0.23 -0.12 0.00 -1.54 0.00 0.00 39.78 38.63 1siy n ASN 88 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1siy n SER 89 N -0.54 1.98 0.00 6.41 3.41 -1.25 -4.65 113.62 118.98 1siy n SER 89 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1siy n SER 89 Cb 0.04 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1siy n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1siy n ILE 90 N -3.26 0.00 -0.75 -1.33 0.13 -1.26 -4.98 119.36 107.91 1siy n ILE 90 Ca -0.46 0.12 0.00 0.00 -1.10 0.00 0.00 62.75 61.31 1siy n ILE 90 Cb 0.99 -0.45 0.00 0.00 -0.84 0.00 0.00 39.64 39.34 1siy n ILE 90 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15