#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 0.20 0.00 1.12 -2.24 -1.26 -4.95 114.28 107.15 1siy n THR 2 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1siy n THR 2 Cb 0.00 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 1siy n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1siy h GLY 4 N 0.00 0.02 0.56 0.00 0.00 -1.99 -1.94 103.07 99.73 1siy h GLY 4 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.37 1siy h GLY 4 CO 0.00 0.04 0.38 -1.61 0.00 0.00 0.00 176.54 175.35 1siy h GLN 5 N 0.01 0.64 -0.41 4.80 4.15 -1.93 -1.49 115.11 120.88 1siy h GLN 5 Ca -0.01 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1siy h GLN 5 Cb 1.52 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 29.04 1siy h GLN 5 CO 0.11 0.42 0.12 0.28 -1.93 0.00 0.00 178.83 177.84 1siy h VAL 6 N 0.66 1.18 -0.69 2.39 2.07 -1.82 -2.77 116.25 117.26 1siy h VAL 6 Ca 0.34 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 67.33 1siy h VAL 6 Cb 0.29 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1siy h VAL 6 CO -0.23 0.23 0.46 -0.61 0.02 0.00 0.00 177.57 177.43 1siy h GLN 7 N 0.59 0.59 0.00 1.57 4.15 -0.49 0.31 115.11 121.83 1siy h GLN 7 Ca 0.14 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1siy h GLN 7 Cb 0.20 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1siy h GLN 7 CO -0.01 0.39 0.00 0.41 -1.93 0.00 0.00 178.83 177.69 1siy n GLY 8 N -1.47 -0.99 0.07 2.39 0.00 -1.05 0.56 105.19 104.71 1siy n GLY 8 Ca 0.11 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 0.01 1.61 -0.00 -0.53 -3.39 115.58 113.27 1siy h ASN 9 Ca 0.00 -0.06 -0.17 0.00 -0.00 0.00 0.00 56.30 56.07 1siy h ASN 9 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.45 1siy h ASN 9 CO 0.00 0.81 -0.59 -0.07 -0.00 0.00 0.00 177.43 177.57 1siy h LEU 10 N -1.00 0.67 -1.56 0.34 -0.00 -1.10 -3.25 115.31 109.41 1siy h LEU 10 Ca -0.04 -0.38 -0.02 0.00 -0.00 0.00 0.00 57.88 57.45 1siy h LEU 10 Cb 0.54 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 1siy h LEU 10 CO -0.02 1.11 0.04 0.00 -0.00 0.00 0.00 178.44 179.57 1siy h ALA 11 N 0.90 1.65 0.00 1.53 0.00 -0.14 -1.36 119.26 121.84 1siy h ALA 11 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1siy h ALA 11 Cb 1.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1siy h ALA 11 CO 0.11 0.27 0.00 1.96 0.00 0.00 0.00 179.25 181.59 1siy h GLN 12 N 0.32 0.00 -0.02 0.00 1.08 -1.73 -2.91 115.11 111.85 1siy h GLN 12 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1siy h GLN 12 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1siy h GLN 12 CO -0.00 0.00 -0.36 0.00 -0.95 0.00 0.00 178.83 177.52 1siy h ILE 14 N 2.85 0.69 0.02 0.00 2.04 -1.23 0.91 117.51 122.78 1siy h ILE 14 Ca 0.00 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1siy h ILE 14 Cb 0.78 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1siy h ILE 14 CO 0.00 0.03 -0.01 1.23 0.00 0.00 0.00 178.15 179.40 1siy h GLY 15 N 0.14 -0.02 0.62 5.37 0.00 -1.79 -2.78 103.07 104.60 1siy h GLY 15 Ca 0.35 0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.77 1siy h GLY 15 CO -0.05 -0.01 0.49 -2.75 0.00 0.00 0.00 176.54 174.22 1siy h PHE 16 N -0.03 0.90 -0.39 5.60 3.57 -1.57 0.77 116.94 125.79 1siy h PHE 16 Ca -0.00 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.64 1siy h PHE 16 Cb 0.02 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 1siy h PHE 16 CO 0.15 0.41 0.28 -0.07 -2.23 0.00 0.00 178.31 176.85 1siy h LEU 17 N 0.86 0.00 0.00 0.59 3.38 0.71 -3.10 115.31 117.75 1siy h LEU 17 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1siy h LEU 17 Cb 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1siy h LEU 17 CO -0.21 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.32 1siy n GLN 18 N -4.42 0.00 -3.74 1.13 6.02 0.04 -0.57 117.38 115.84 1siy n GLN 18 Ca 0.06 0.06 -0.29 0.00 -0.01 0.00 0.00 57.00 56.83 1siy n GLN 18 Cb 0.47 -0.42 -0.16 0.00 1.02 0.00 0.00 30.24 31.15 1siy n GLN 18 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1siy s LYS 19 N -0.20 0.72 0.00 -1.09 -0.14 0.25 -4.80 119.74 114.47 1siy s LYS 19 Ca 0.00 -0.71 0.00 0.00 -1.36 0.00 0.00 55.97 53.90 1siy s LYS 19 Cb 0.00 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 34.11 1siy s LYS 19 CO 0.00 -0.79 0.00 0.41 -0.76 0.00 0.00 175.35 174.21 1siy n GLY 20 N 4.96 -0.29 3.72 -3.33 0.00 -1.18 -3.96 105.19 105.11 1siy n GLY 20 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.18 1.83 3.54 -0.02 0.00 -1.26 -4.89 105.19 104.57 1siy n GLY 21 Ca 0.00 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 2.97 -0.14 1.61 -7.23 -1.26 -5.12 120.40 111.23 1siy s VAL 22 Ca 0.00 -1.87 -0.18 0.00 -1.81 0.00 0.00 61.98 58.11 1siy s VAL 22 Cb 0.00 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1siy s VAL 22 CO 0.00 -0.19 0.50 -0.69 -0.31 0.00 0.00 175.10 174.40 1siy s VAL 23 N -1.90 5.16 0.47 1.32 1.01 -1.26 -4.80 120.40 120.39 1siy s VAL 23 Ca 0.26 0.97 -0.21 0.00 0.00 0.00 0.00 61.98 62.99 1siy s VAL 23 Cb -0.08 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 1siy s VAL 23 CO 0.15 0.28 1.08 -2.84 0.00 0.00 0.00 175.10 173.77 1siy s PRO 24 N 0.92 3.80 0.00 2.72 0.02 -1.26 -4.91 135.00 136.29 1siy s PRO 24 Ca 0.26 1.51 0.07 0.00 0.02 0.00 0.00 61.00 62.86 1siy s PRO 24 Cb -0.15 -2.24 0.34 0.00 0.02 0.00 0.00 34.50 32.47 1siy s PRO 24 CO 0.10 -0.45 1.12 -2.30 -0.33 0.00 0.00 177.00 175.14 1siy n PRO 25 N -0.73 0.07 0.01 5.54 -0.02 -1.26 -1.96 135.00 136.65 1siy n PRO 25 Ca 0.08 0.26 -0.19 0.00 -2.02 0.00 0.00 63.50 61.63 1siy n PRO 25 Cb 0.51 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.35 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 0.33 -0.29 2.55 0.02 -1.94 -2.03 113.55 112.19 1siy h SER 26 Ca 0.00 -0.91 -0.06 0.00 -0.84 0.00 0.00 61.79 59.98 1siy h SER 26 Cb 0.08 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1siy h SER 26 CO 0.00 1.38 -0.07 0.00 -1.14 0.00 0.00 176.83 177.00 1siy h THR 29 N 1.16 1.33 -0.25 0.00 2.02 -1.26 -0.32 112.91 115.59 1siy h THR 29 Ca 0.36 -1.69 -0.15 0.00 0.77 0.00 0.00 66.41 65.70 1siy h THR 29 Cb -0.01 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1siy h THR 29 CO -0.10 0.51 -0.45 1.23 0.37 0.00 0.00 175.52 177.08 1siy h GLY 30 N 1.21 0.70 0.94 2.16 0.00 0.30 0.36 103.07 108.74 1siy h GLY 30 Ca 0.02 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 1siy h GLY 30 CO 0.08 0.67 -0.06 -2.08 0.00 0.00 0.00 176.54 175.15 1siy h VAL 31 N 0.52 0.91 -0.84 4.60 2.07 -0.17 -1.42 116.25 121.92 1siy h VAL 31 Ca 0.03 -0.14 0.18 0.00 0.82 0.00 0.00 66.70 67.59 1siy h VAL 31 Cb 0.98 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 1siy h VAL 31 CO 0.09 0.04 0.56 0.50 0.02 0.00 0.00 177.57 178.78 1siy h LYS 32 N -0.24 0.39 0.71 1.57 1.63 -0.74 0.35 116.57 120.24 1siy h LYS 32 Ca -0.02 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1siy h LYS 32 Cb 0.19 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1siy h LYS 32 CO 0.03 0.26 -0.34 -0.91 -3.45 0.00 0.00 179.45 175.04 1siy h ASN 33 N 0.40 -0.80 -0.33 4.20 2.35 0.25 0.41 115.58 122.06 1siy h ASN 33 Ca 0.43 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 56.24 1siy h ASN 33 Cb 1.05 0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.61 1siy h ASN 33 CO -0.15 -0.50 0.23 0.40 -1.65 0.00 0.00 177.43 175.76 1siy h ILE 34 N -1.07 0.92 0.00 2.81 1.08 -0.12 0.37 117.51 121.50 1siy h ILE 34 Ca -0.10 -0.06 -0.04 0.00 -0.39 0.00 0.00 64.86 64.27 1siy h ILE 34 Cb 0.75 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 1siy h ILE 34 CO 0.16 0.03 -0.29 -0.07 -0.69 0.00 0.00 178.15 177.29 1siy h LEU 35 N 0.17 0.00 0.03 1.44 3.38 -0.21 -3.33 115.31 116.80 1siy h LEU 35 Ca 0.15 -0.48 -0.28 0.00 0.09 0.00 0.00 57.88 57.36 1siy h LEU 35 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1siy h LEU 35 CO -0.02 0.90 -1.53 -3.20 0.09 0.00 0.00 178.44 174.68 1siy n ASN 36 N -4.63 1.94 0.00 -0.43 2.85 0.14 -4.21 115.26 110.92 1siy n ASN 36 Ca -0.11 0.36 0.08 0.00 -0.11 0.00 0.00 54.58 54.80 1siy n ASN 36 Cb 0.34 -0.93 0.46 0.00 1.24 0.00 0.00 39.78 40.89 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 -4.16 0.00 -4.63 1.20 7.64 0.13 -4.72 113.62 109.07 1siy n SER 37 Ca -0.33 -1.45 -0.44 0.00 1.01 0.00 0.00 58.87 57.66 1siy n SER 37 Cb 0.79 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.96 1siy n SER 37 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1siy n SER 38 N -0.75 3.65 -0.10 6.43 2.88 -0.89 -4.87 113.62 119.97 1siy n SER 38 Ca 0.12 0.68 -0.06 0.00 -1.33 0.00 0.00 58.87 58.28 1siy n SER 38 Cb 0.05 -1.49 0.01 0.00 -0.75 0.00 0.00 64.21 62.04 1siy n SER 38 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1siy h ARG 39 N 11.75 0.20 0.00 -1.46 9.65 -1.91 -3.46 114.38 129.15 1siy h ARG 39 Ca -0.46 -0.01 -0.38 0.00 -1.10 0.00 0.00 59.98 58.03 1siy h ARG 39 Cb 1.25 -0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 29.69 1siy h ARG 39 CO 0.95 0.13 -0.36 0.25 2.80 0.00 0.00 179.97 183.74 1siy n THR 40 N -5.08 0.00 -0.01 0.20 -2.24 -1.26 -4.97 114.28 100.93 1siy n THR 40 Ca 0.01 -2.00 -0.06 0.00 -2.27 0.00 0.00 64.05 59.73 1siy n THR 40 Cb 0.15 1.02 0.13 0.00 -2.10 0.00 0.00 70.33 69.52 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 1.90 1.29 0.00 4.28 2.02 -1.98 0.29 112.91 120.72 1siy h THR 41 Ca -0.20 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.50 1siy h THR 41 Cb 1.01 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1siy h THR 41 CO 0.29 0.47 0.00 0.00 0.37 0.00 0.00 175.52 176.65 1siy h ALA 42 N 1.15 1.00 0.14 6.16 0.00 -1.96 0.37 119.26 126.13 1siy h ALA 42 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.61 1siy h ALA 42 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1siy h ALA 42 CO 0.07 0.00 -1.80 0.22 0.00 0.00 0.00 179.25 177.74 1siy h ASP 43 N 0.00 0.47 0.72 0.00 1.82 -1.73 -3.19 116.42 114.51 1siy h ASP 43 Ca 0.00 -0.82 -0.22 0.00 -0.39 0.00 0.00 57.03 55.60 1siy h ASP 43 Cb 0.28 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1siy h ASP 43 CO 0.00 1.71 -1.02 -0.09 -1.61 0.00 0.00 179.24 178.23 1siy h ARG 44 N 0.08 0.16 -0.01 0.28 2.43 -0.17 0.36 114.38 117.52 1siy h ARG 44 Ca -0.35 -0.22 -0.15 0.00 -0.81 0.00 0.00 59.98 58.44 1siy h ARG 44 Cb 2.06 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 31.67 1siy h ARG 44 CO 0.14 1.04 -0.69 0.07 -1.51 0.00 0.00 179.97 179.02 1siy h ARG 45 N 0.07 0.05 -0.08 0.20 0.11 -0.46 -1.71 114.38 112.56 1siy h ARG 45 Ca -0.06 -0.04 -0.17 0.00 0.10 0.00 0.00 59.98 59.81 1siy h ARG 45 Cb 1.71 0.01 0.01 0.00 1.11 0.00 0.00 29.97 32.81 1siy h ARG 45 CO 0.15 0.72 -0.60 0.00 0.10 0.00 0.00 179.97 180.34 1siy h ALA 46 N 1.27 0.18 -0.48 0.08 0.00 -1.51 -2.79 119.26 116.00 1siy h ALA 46 Ca -0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1siy h ALA 46 Cb 1.22 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1siy h ALA 46 CO 0.09 0.43 0.18 -0.24 0.00 0.00 0.00 179.25 179.72 1siy h VAL 47 N 0.14 1.19 -0.16 0.00 3.04 -0.22 -0.90 116.25 119.34 1siy h VAL 47 Ca -0.05 -0.60 -0.11 0.00 -1.01 0.00 0.00 66.70 64.93 1siy h VAL 47 Cb 1.26 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 1siy h VAL 47 CO 0.12 0.23 -0.38 0.00 -1.01 0.00 0.00 177.57 176.54 1siy h SER 49 N 0.29 0.86 0.38 0.00 0.02 -0.95 -2.80 113.55 111.34 1siy h SER 49 Ca 0.03 -0.46 -0.16 0.00 -0.84 0.00 0.00 61.79 60.36 1siy h SER 49 Cb 0.80 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1siy h SER 49 CO 0.06 1.23 -0.65 0.00 -1.14 0.00 0.00 176.83 176.34 1siy h LEU 51 N 0.18 0.42 0.11 0.00 5.85 -0.48 0.17 115.31 121.55 1siy h LEU 51 Ca -0.01 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1siy h LEU 51 Cb 1.18 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1siy h LEU 51 CO 0.10 0.18 -0.17 0.11 -0.34 0.00 0.00 178.44 178.32 1siy h LYS 52 N 0.43 -0.33 0.00 1.25 1.79 -1.42 0.22 116.57 118.50 1siy h LYS 52 Ca 0.44 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.87 1siy h LYS 52 Cb 1.06 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 1siy h LYS 52 CO -0.16 -0.22 -0.30 0.00 -1.08 0.00 0.00 179.45 177.68 1siy h ALA 53 N 0.49 0.87 -0.00 3.86 0.00 -1.23 -0.28 119.26 122.96 1siy h ALA 53 Ca 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1siy h ALA 53 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1siy h ALA 53 CO -0.09 0.38 -0.03 0.00 0.00 0.00 0.00 179.25 179.51 1siy h ALA 54 N 1.70 0.01 0.00 0.00 0.00 -0.48 -0.48 119.26 120.00 1siy h ALA 54 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1siy h ALA 54 Cb 1.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1siy h ALA 54 CO 0.04 -0.09 -0.14 0.00 0.00 0.00 0.00 179.25 179.06 1siy h ALA 55 N 0.23 1.05 -0.56 0.00 0.00 -0.59 -2.09 119.26 117.29 1siy h ALA 55 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1siy h ALA 55 Cb 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1siy h ALA 55 CO 0.01 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1siy n GLY 56 N -0.00 1.78 0.24 0.00 0.00 -0.12 -3.93 105.19 103.17 1siy n GLY 56 Ca -0.00 -0.67 0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 3.17 -2.01 4.61 0.00 -0.19 -4.85 120.51 122.53 1siy n ALA 57 Ca 0.20 -0.42 -0.37 0.00 0.00 0.00 0.00 53.44 52.85 1siy n ALA 57 Cb 0.53 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.54 3.34 -0.44 0.00 -7.23 -1.25 -4.93 120.40 107.34 1siy s VAL 58 Ca 0.23 0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 60.45 1siy s VAL 58 Cb 0.19 -3.89 0.11 0.00 0.56 0.00 0.00 36.38 33.35 1siy s VAL 58 CO 0.54 -0.86 0.29 -0.60 -0.31 0.00 0.00 175.10 174.16 1siy s ARG 59 N 7.13 2.35 0.00 4.82 3.52 -1.26 -4.25 118.95 131.26 1siy s ARG 59 Ca 0.69 -1.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.56 1siy s ARG 59 Cb -0.12 -3.79 0.00 0.00 -1.56 0.00 0.00 34.95 29.47 1siy s ARG 59 CO 0.19 -1.12 0.00 0.41 -0.81 0.00 0.00 175.30 173.97 1siy n GLY 60 N 4.81 3.12 3.80 8.12 0.00 -1.26 -5.04 105.19 118.75 1siy n GLY 60 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.66 4.31 -0.32 -0.61 1.09 -1.26 -4.85 121.20 116.90 1siy s ILE 61 Ca 0.00 1.64 -0.16 0.00 -1.10 0.00 0.00 60.65 61.03 1siy s ILE 61 Cb 0.00 -3.79 -0.02 0.00 -1.06 0.00 0.00 42.46 37.60 1siy s ILE 61 CO 0.00 -0.11 0.43 0.20 -0.10 0.00 0.00 174.94 175.36 1siy s ASN 62 N -1.92 6.27 0.00 3.58 0.01 0.26 -4.82 114.94 118.32 1siy s ASN 62 Ca 0.57 0.05 0.29 0.00 -0.71 0.00 0.00 52.86 53.06 1siy s ASN 62 Cb -0.13 -2.23 1.29 0.00 0.41 0.00 0.00 41.25 40.59 1siy s ASN 62 CO 0.18 -0.34 1.95 -0.81 -1.51 0.00 0.00 177.10 176.57 1siy n PRO 63 N 5.50 0.10 0.25 -0.60 -0.04 -1.26 -2.49 135.00 136.45 1siy n PRO 63 Ca -0.07 -0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1siy n PRO 63 Cb 0.50 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 33.01 1siy n PRO 63 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1siy h ASN 64 N 0.00 0.00 1.20 3.54 -0.00 -1.92 -2.12 115.58 116.28 1siy h ASN 64 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.19 1siy h ASN 64 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.76 1siy h ASN 64 CO 0.00 0.12 -0.84 0.78 -0.00 0.00 0.00 177.43 177.50 1siy h ASN 65 N 0.00 0.00 -0.16 1.15 4.21 -1.78 -3.29 115.58 115.71 1siy h ASN 65 Ca -0.00 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.37 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 0.02 0.44 -0.36 0.00 -1.29 0.00 0.00 177.43 176.23 1siy h ALA 66 N 1.56 0.80 0.00 -0.83 0.00 -1.43 -1.73 119.26 117.63 1siy h ALA 66 Ca -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1siy h ALA 66 Cb 1.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1siy h ALA 66 CO 0.05 0.65 0.00 -0.85 0.00 0.00 0.00 179.25 179.09 1siy n GLU 67 N -4.05 0.07 0.06 0.00 0.28 -1.06 -2.25 120.64 113.67 1siy n GLU 67 Ca -0.01 0.08 0.08 0.00 -0.16 0.00 0.00 57.16 57.15 1siy n GLU 67 Cb 0.50 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.82 1siy n GLU 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1siy n ALA 68 N -1.46 2.43 0.14 -1.84 0.00 -0.81 -4.46 120.51 114.50 1siy n ALA 68 Ca 0.07 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 1siy n ALA 68 Cb 0.27 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 1siy n ALA 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1siy h LEU 69 N 0.00 -0.84 -1.38 0.00 5.85 -0.88 -2.52 115.31 115.54 1siy h LEU 69 Ca -0.05 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.87 1siy h LEU 69 Cb 1.16 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 42.44 1siy h LEU 69 CO 0.01 -0.40 0.52 1.55 -0.34 0.00 0.00 178.44 179.78 1siy h PRO 70 N -0.55 0.65 -0.63 5.25 0.13 -1.78 -1.42 132.00 133.65 1siy h PRO 70 Ca 0.02 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 1siy h PRO 70 Cb 0.55 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.51 1siy h PRO 70 CO -0.14 0.43 0.11 0.78 -0.23 0.00 0.00 178.00 178.95 1siy h GLY 71 N 0.67 1.10 0.76 1.56 0.00 -1.70 0.30 103.07 105.75 1siy h GLY 71 Ca 0.38 -0.70 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 1siy h GLY 71 CO -0.15 0.65 -0.58 0.50 0.00 0.00 0.00 176.54 176.96 1siy h LYS 72 N 0.96 0.40 0.00 4.80 1.79 -0.90 -3.16 116.57 120.46 1siy h LYS 72 Ca 0.20 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1siy h LYS 72 Cb 0.40 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1siy h LYS 72 CO 0.01 1.09 0.00 0.00 -1.08 0.00 0.00 179.45 179.47 1siy n GLY 74 N 0.45 0.45 2.79 0.00 0.00 -0.80 -5.01 105.19 103.07 1siy n GLY 74 Ca 0.06 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.22 2.21 -1.08 1.61 -7.23 0.03 -5.02 120.40 108.70 1siy s VAL 75 Ca 0.00 -3.65 -0.22 0.00 -1.81 0.00 0.00 61.98 56.30 1siy s VAL 75 Cb -0.00 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.45 1siy s VAL 75 CO 0.00 -1.00 1.75 0.20 -0.31 0.00 0.00 175.10 175.74 1siy s ASN 76 N -0.80 5.89 0.51 4.85 0.01 -1.26 -4.63 114.94 119.50 1siy s ASN 76 Ca 0.24 -1.50 -0.18 0.00 -0.71 0.00 0.00 52.86 50.72 1siy s ASN 76 Cb -0.08 -2.57 -0.08 0.00 0.41 0.00 0.00 41.25 38.93 1siy s ASN 76 CO -0.13 -2.11 1.00 0.27 -1.51 0.00 0.00 177.10 174.62 1siy s ILE 77 N 7.51 4.26 0.08 0.60 -4.36 -1.26 -5.00 121.20 123.04 1siy s ILE 77 Ca 0.59 1.17 -0.26 0.00 -0.26 0.00 0.00 60.65 61.90 1siy s ILE 77 Cb -0.01 -3.59 -0.16 0.00 1.25 0.00 0.00 42.46 39.94 1siy s ILE 77 CO 0.01 -0.53 1.68 -0.65 0.24 0.00 0.00 174.94 175.70 1siy h PRO 78 N 1.06 -0.24 -7.49 0.37 0.11 -1.98 -3.44 132.00 120.39 1siy h PRO 78 Ca -0.47 0.02 -0.49 0.00 0.11 0.00 0.00 66.00 65.16 1siy h PRO 78 Cb 1.20 0.05 0.08 0.00 0.11 0.00 0.00 31.00 32.44 1siy h PRO 78 CO 0.60 -0.14 0.41 1.52 -0.21 0.00 0.00 178.00 180.18 1siy s TYR 79 N -6.06 3.27 -0.19 0.65 -0.85 -1.26 -5.04 117.35 107.86 1siy s TYR 79 Ca -0.14 1.00 -0.07 0.00 -0.52 0.00 0.00 57.07 57.33 1siy s TYR 79 Cb 0.05 -3.13 -0.04 0.00 0.38 0.00 0.00 41.96 39.22 1siy s TYR 79 CO 0.65 -1.27 0.06 0.15 -1.52 0.00 0.00 175.55 173.61 1siy s LYS 80 N -5.39 3.90 0.40 -3.49 -0.14 -1.26 -4.97 119.74 108.79 1siy s LYS 80 Ca 0.59 -0.38 0.19 0.00 -1.36 0.00 0.00 55.97 55.01 1siy s LYS 80 Cb -0.11 -3.21 0.85 0.00 -1.68 0.00 0.00 37.83 33.68 1siy s LYS 80 CO 0.51 0.20 1.82 0.97 -0.76 0.00 0.00 175.35 178.09 1siy h ILE 81 N 5.00 0.89 0.00 2.17 2.10 -1.94 -3.12 117.51 122.61 1siy h ILE 81 Ca -0.36 -1.27 0.00 0.00 1.08 0.00 0.00 64.86 64.31 1siy h ILE 81 Cb 1.17 1.76 0.00 0.00 -1.09 0.00 0.00 36.82 38.66 1siy h ILE 81 CO 0.67 0.31 0.00 -1.20 -1.08 0.00 0.00 178.15 176.86 1siy n SER 82 N -3.66 0.72 -1.19 2.19 7.64 -1.26 -4.74 113.62 113.32 1siy n SER 82 Ca -0.01 -0.93 -0.14 0.00 1.01 0.00 0.00 58.87 58.80 1siy n SER 82 Cb 0.43 -0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.40 0.00 -0.76 0.44 -2.24 -1.18 -4.82 114.28 106.13 1siy n THR 83 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1siy n THR 83 Cb 0.15 -1.53 0.30 0.00 -2.10 0.00 0.00 70.33 67.15 1siy n THR 83 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1siy n SER 84 N -0.92 4.75 -4.27 3.42 7.64 -1.26 -4.92 113.62 118.06 1siy n SER 84 Ca -0.14 -3.00 -0.15 0.00 1.01 0.00 0.00 58.87 56.60 1siy n SER 84 Cb 0.56 -0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 62.95 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 -2.66 0.66 0.37 0.44 -1.32 -1.26 -4.89 115.64 106.97 1siy s THR 85 Ca 0.49 -1.99 -0.14 0.00 -1.21 0.00 0.00 61.69 58.84 1siy s THR 85 Cb 0.38 -2.28 -0.08 0.00 -1.51 0.00 0.00 72.50 69.01 1siy s THR 85 CO 0.13 -0.33 0.78 0.54 -2.21 0.00 0.00 174.62 173.53 1siy s ASN 86 N -3.22 6.70 0.00 8.08 2.20 -1.26 -4.97 114.94 122.47 1siy s ASN 86 Ca 0.28 1.28 0.00 0.00 -0.94 0.00 0.00 52.86 53.48 1siy s ASN 86 Cb 0.07 -2.38 0.00 0.00 -2.00 0.00 0.00 41.25 36.94 1siy s ASN 86 CO 0.07 -0.30 0.00 0.00 -2.94 0.00 0.00 177.10 173.93 1siy n ASN 88 N -0.13 0.00 0.13 0.00 5.15 -1.26 -4.28 115.26 114.87 1siy n ASN 88 Ca 0.00 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 1siy n ASN 88 Cb 0.00 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 1siy n ASN 88 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1siy n SER 89 N -1.44 0.04 -1.78 1.20 3.41 -1.26 -5.00 113.62 108.79 1siy n SER 89 Ca 0.06 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1siy n SER 89 Cb 0.21 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1siy n SER 89 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1siy n ILE 90 N -3.48 -4.19 -1.53 -1.33 -5.35 -1.26 -4.77 119.36 97.46 1siy n ILE 90 Ca 0.00 1.94 0.00 0.00 -0.27 0.00 0.00 62.75 64.42 1siy n ILE 90 Cb 0.00 -2.53 0.00 0.00 -1.74 0.00 0.00 39.64 35.37 1siy n ILE 90 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38