#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 -4.95 115.64 107.25 1siy s THR 2 Ca 0.00 -0.15 0.04 0.00 -1.21 0.00 0.00 61.69 60.37 1siy s THR 2 Cb 0.00 -1.01 0.11 0.00 -1.51 0.00 0.00 72.50 70.10 1siy s THR 2 CO 0.00 -0.08 0.59 0.00 -2.21 0.00 0.00 174.62 172.92 1siy n GLY 4 N -0.28 -0.85 0.16 0.00 0.00 -1.26 -2.99 105.19 99.98 1siy n GLY 4 Ca 0.03 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 0.48 -0.63 1.61 4.15 -0.63 -2.63 115.11 117.47 1siy h GLN 5 Ca -0.01 -0.32 -0.09 0.00 0.77 0.00 0.00 58.65 58.99 1siy h GLN 5 Cb 0.86 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 1siy h GLN 5 CO 0.00 0.94 0.02 0.28 -1.93 0.00 0.00 178.83 178.14 1siy h VAL 6 N 0.10 1.27 0.00 2.39 2.07 -1.63 -2.48 116.25 117.96 1siy h VAL 6 Ca -0.00 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1siy h VAL 6 Cb 0.94 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1siy h VAL 6 CO 0.07 0.42 -0.10 -0.61 0.02 0.00 0.00 177.57 177.37 1siy h GLN 7 N 1.00 0.00 0.00 1.57 4.15 -1.53 -0.95 115.11 119.36 1siy h GLN 7 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 1siy h GLN 7 Cb 0.54 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 1siy h GLN 7 CO 0.03 0.10 -0.00 0.78 -1.93 0.00 0.00 178.83 177.80 1siy h GLY 8 N 0.33 0.00 0.25 2.39 0.00 -1.05 0.22 103.07 105.21 1siy h GLY 8 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1siy h GLY 8 CO 0.01 0.00 -0.12 -0.57 0.00 0.00 0.00 176.54 175.86 1siy h ASN 9 N 0.00 -0.29 -0.19 0.19 -0.73 -1.27 -3.33 115.58 109.96 1siy h ASN 9 Ca -0.00 0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.09 1siy h ASN 9 Cb 0.02 0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 1siy h ASN 9 CO 0.00 -0.10 -0.17 -0.07 -0.37 0.00 0.00 177.43 176.72 1siy h LEU 10 N -0.56 0.61 -1.36 0.34 -0.00 -1.54 -2.98 115.31 109.82 1siy h LEU 10 Ca -0.03 -0.19 0.13 0.00 -0.00 0.00 0.00 57.88 57.79 1siy h LEU 10 Cb 0.26 -0.16 -0.06 0.00 -0.00 0.00 0.00 40.66 40.69 1siy h LEU 10 CO 0.06 0.79 0.54 0.00 -0.00 0.00 0.00 178.44 179.83 1siy h ALA 11 N 1.26 1.86 0.09 1.53 0.00 -0.72 0.38 119.26 123.67 1siy h ALA 11 Ca 0.09 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 1siy h ALA 11 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1siy h ALA 11 CO 0.04 -0.07 -1.36 1.96 0.00 0.00 0.00 179.25 179.82 1siy h GLN 12 N 0.65 0.18 0.00 0.00 1.08 -1.63 -3.34 115.11 112.05 1siy h GLN 12 Ca 0.41 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1siy h GLN 12 Cb 0.66 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1siy h GLN 12 CO -0.17 1.06 -0.38 0.00 -0.95 0.00 0.00 178.83 178.39 1siy h ILE 14 N 0.00 0.51 0.23 0.00 2.04 -0.44 0.51 117.51 120.36 1siy h ILE 14 Ca -0.01 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1siy h ILE 14 Cb 1.05 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1siy h ILE 14 CO 0.01 0.00 -0.18 1.23 0.00 0.00 0.00 178.15 179.21 1siy h GLY 15 N 0.02 -0.78 1.26 5.37 0.00 -1.83 0.23 103.07 107.35 1siy h GLY 15 Ca 0.47 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 48.11 1siy h GLY 15 CO -0.02 -0.27 0.29 -2.75 0.00 0.00 0.00 176.54 173.80 1siy h PHE 16 N -0.40 0.95 0.00 5.60 3.57 -1.58 0.55 116.94 125.63 1siy h PHE 16 Ca -0.03 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1siy h PHE 16 Cb 0.33 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 1siy h PHE 16 CO -0.05 0.71 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.66 1siy h LEU 17 N 0.94 0.00 0.00 0.59 -0.00 0.09 0.13 115.31 117.06 1siy h LEU 17 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1siy h LEU 17 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1siy h LEU 17 CO -0.03 0.01 -0.53 0.00 -0.00 0.00 0.00 178.44 177.90 1siy n GLN 18 N -3.77 0.28 -0.33 1.13 6.02 0.81 -0.90 117.38 120.62 1siy n GLN 18 Ca -0.03 0.11 0.01 0.00 -0.01 0.00 0.00 57.00 57.08 1siy n GLN 18 Cb 0.09 -0.99 0.15 0.00 1.02 0.00 0.00 30.24 30.52 1siy n GLN 18 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1siy h LYS 19 N -0.53 1.02 -3.23 -1.09 6.56 0.01 -3.45 116.57 115.86 1siy h LYS 19 Ca 0.00 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 1siy h LYS 19 Cb 0.53 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 1siy h LYS 19 CO 0.00 0.67 -0.02 0.41 -2.06 0.00 0.00 179.45 178.45 1siy n GLY 20 N -1.34 -0.14 0.00 3.86 0.00 0.45 -5.03 105.19 102.99 1siy n GLY 20 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.16 1.83 2.84 -0.02 0.00 -1.26 -5.09 105.19 102.32 1siy n GLY 21 Ca -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 1siy n GLY 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1siy n VAL 22 N -0.20 -2.03 -2.26 1.61 3.14 -1.26 -4.64 118.33 112.69 1siy n VAL 22 Ca 0.00 0.29 -0.42 0.00 -2.96 0.00 0.00 64.34 61.24 1siy n VAL 22 Cb 0.00 -2.72 -0.03 0.00 -1.06 0.00 0.00 33.84 30.03 1siy n VAL 22 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1siy s VAL 23 N -0.06 3.86 0.26 1.55 1.01 -1.26 -4.78 120.40 120.97 1siy s VAL 23 Ca -0.02 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 1siy s VAL 23 Cb 0.00 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 1siy s VAL 23 CO 0.06 -0.03 1.06 -2.84 0.00 0.00 0.00 175.10 173.35 1siy s PRO 24 N 2.78 4.69 0.00 2.72 0.02 -1.26 -4.91 135.00 139.05 1siy s PRO 24 Ca 0.63 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.37 1siy s PRO 24 Cb -0.29 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.01 1siy s PRO 24 CO 0.24 0.27 0.46 -2.30 -0.33 0.00 0.00 177.00 175.34 1siy n PRO 25 N 1.37 0.48 -0.14 5.54 -0.02 -1.26 -1.93 135.00 139.04 1siy n PRO 25 Ca -0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.19 1siy n PRO 25 Cb 0.45 -1.02 -0.10 0.00 -0.02 0.00 0.00 33.50 32.82 1siy n PRO 25 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1siy n SER 26 N -0.44 1.91 -0.06 2.55 7.64 -1.26 -3.96 113.62 119.99 1siy n SER 26 Ca 0.00 0.30 -0.07 0.00 1.01 0.00 0.00 58.87 60.10 1siy n SER 26 Cb 0.01 -0.77 -0.01 0.00 -1.01 0.00 0.00 64.21 62.43 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 0.24 1.24 -0.23 0.00 2.02 -1.49 -0.95 112.91 113.73 1siy h THR 29 Ca 0.21 -0.81 -0.16 0.00 0.77 0.00 0.00 66.41 66.41 1siy h THR 29 Cb 0.50 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1siy h THR 29 CO -0.04 0.30 -0.51 1.23 0.37 0.00 0.00 175.52 176.87 1siy h GLY 30 N 0.68 0.71 0.85 2.16 0.00 -1.10 -0.41 103.07 105.97 1siy h GLY 30 Ca 0.16 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1siy h GLY 30 CO -0.00 0.72 0.03 -2.08 0.00 0.00 0.00 176.54 175.21 1siy h VAL 31 N 0.51 1.23 0.00 4.60 2.07 -1.35 -0.50 116.25 122.81 1siy h VAL 31 Ca 0.02 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1siy h VAL 31 Cb 1.06 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1siy h VAL 31 CO 0.10 0.25 -0.18 0.50 0.02 0.00 0.00 177.57 178.26 1siy h LYS 32 N 0.18 0.00 0.28 1.57 3.64 -1.09 -0.05 116.57 121.10 1siy h LYS 32 Ca 0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1siy h LYS 32 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1siy h LYS 32 CO 0.01 0.18 -0.13 -0.97 -2.27 0.00 0.00 179.45 176.26 1siy h ASN 33 N 0.00 -0.32 0.02 4.20 -0.73 -0.63 0.36 115.58 118.48 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 0.41 0.08 -0.00 0.00 0.27 0.00 0.00 38.32 39.08 1siy h ASN 33 CO 0.02 0.12 -0.02 0.40 -0.37 0.00 0.00 177.43 177.58 1siy h ILE 34 N -0.83 0.94 0.00 2.57 1.08 -0.77 0.37 117.51 120.87 1siy h ILE 34 Ca -0.04 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1siy h ILE 34 Cb 0.51 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1siy h ILE 34 CO 0.06 0.01 0.00 0.18 -0.69 0.00 0.00 178.15 177.72 1siy n LEU 35 N -4.42 0.14 0.12 1.44 4.32 -0.06 -4.11 117.00 114.43 1siy n LEU 35 Ca -0.03 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.32 1siy n LEU 35 Cb 0.10 -0.47 -0.02 0.00 -1.62 0.00 0.00 43.42 41.42 1siy n LEU 35 CO 0.33 -0.47 0.36 0.78 -1.22 0.00 0.00 177.39 177.17 1siy h ASN 36 N 0.00 0.00 -0.62 -1.43 4.21 -0.34 -3.28 115.58 114.11 1siy h ASN 36 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1siy h ASN 36 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1siy h ASN 36 CO 0.00 0.63 0.00 -1.20 -1.29 0.00 0.00 177.43 175.57 1siy n SER 37 N -3.24 4.47 -4.57 5.81 7.64 0.12 -4.86 113.62 118.99 1siy n SER 37 Ca 0.01 -2.37 -0.39 0.00 1.01 0.00 0.00 58.87 57.12 1siy n SER 37 Cb 0.79 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.99 4.96 0.11 6.43 1.04 -0.91 -4.86 113.70 119.48 1siy s SER 38 Ca 0.48 1.35 -0.33 0.00 0.48 0.00 0.00 55.95 57.94 1siy s SER 38 Cb 0.30 -2.51 -0.12 0.00 0.10 0.00 0.00 66.02 63.80 1siy s SER 38 CO 0.25 -2.43 1.57 -0.09 0.98 0.00 0.00 173.24 173.52 1siy h ARG 39 N 17.18 -0.68 0.00 4.02 2.43 -1.89 -3.44 114.38 132.00 1siy h ARG 39 Ca -0.31 0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.74 1siy h ARG 39 Cb 1.24 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.91 1siy h ARG 39 CO 1.08 -0.46 -0.14 0.25 -1.51 0.00 0.00 179.97 179.20 1siy n THR 40 N -5.48 0.00 -0.10 0.20 -2.24 -1.26 -4.98 114.28 100.42 1siy n THR 40 Ca -0.08 -0.71 -0.11 0.00 -2.27 0.00 0.00 64.05 60.89 1siy n THR 40 Cb 0.40 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 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 1.19 1.24 0.00 4.28 2.02 -1.98 -0.43 112.91 119.23 1siy h THR 41 Ca -0.10 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 1siy h THR 41 Cb 0.36 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1siy h THR 41 CO 0.15 0.27 -0.09 0.00 0.37 0.00 0.00 175.52 176.23 1siy h ALA 42 N 0.87 1.34 0.10 6.16 0.00 -1.98 0.64 119.26 126.40 1siy h ALA 42 Ca 0.09 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 1siy h ALA 42 Cb 0.36 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1siy h ALA 42 CO 0.01 0.11 -1.20 0.22 0.00 0.00 0.00 179.25 178.39 1siy h ASP 43 N 0.00 0.76 0.75 0.00 3.58 -1.78 -2.62 116.42 117.11 1siy h ASP 43 Ca -0.00 -0.70 -0.22 0.00 0.42 0.00 0.00 57.03 56.53 1siy h ASP 43 Cb 0.25 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 1siy h ASP 43 CO 0.01 1.51 -1.36 -0.09 -2.88 0.00 0.00 179.24 176.44 1siy h ARG 44 N 0.24 0.00 0.15 0.28 2.43 -0.41 -2.15 114.38 114.93 1siy h ARG 44 Ca -0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1siy h ARG 44 Cb 1.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 1siy h ARG 44 CO 0.22 0.52 -0.07 -0.09 -1.51 0.00 0.00 179.97 179.04 1siy h ARG 45 N 0.00 -0.20 -0.13 0.20 2.43 0.16 -2.99 114.38 113.85 1siy h ARG 45 Ca -0.17 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.93 1siy h ARG 45 Cb 1.77 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 1siy h ARG 45 CO 0.08 0.22 -0.32 0.00 -1.51 0.00 0.00 179.97 178.43 1siy h ALA 46 N -0.03 1.22 -0.26 2.80 0.00 -1.60 -2.56 119.26 118.82 1siy h ALA 46 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1siy h ALA 46 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1siy h ALA 46 CO 0.03 0.52 0.03 -0.24 0.00 0.00 0.00 179.25 179.60 1siy h VAL 47 N 0.22 1.14 -0.07 0.00 3.04 -1.42 0.25 116.25 119.42 1siy h VAL 47 Ca 0.03 -0.53 -0.20 0.00 -1.01 0.00 0.00 66.70 64.99 1siy h VAL 47 Cb 0.69 0.91 0.01 0.00 -2.01 0.00 0.00 31.29 30.89 1siy h VAL 47 CO 0.05 0.18 -0.74 0.00 -1.01 0.00 0.00 177.57 176.05 1siy h SER 49 N 0.26 0.10 0.42 0.00 0.02 -0.98 -1.09 113.55 112.28 1siy h SER 49 Ca -0.07 -0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.56 1siy h SER 49 Cb 1.40 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.89 1siy h SER 49 CO 0.15 0.07 -1.65 0.00 -1.14 0.00 0.00 176.83 174.26 1siy h LEU 51 N 0.05 0.28 -1.29 0.00 5.85 0.10 0.18 115.31 120.49 1siy h LEU 51 Ca -0.28 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1siy h LEU 51 Cb 2.01 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 43.04 1siy h LEU 51 CO 0.12 0.16 0.51 0.07 -0.34 0.00 0.00 178.44 178.96 1siy h LYS 52 N 0.45 0.86 0.00 1.25 2.10 -1.41 0.34 116.57 120.17 1siy h LYS 52 Ca 0.33 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 1siy h LYS 52 Cb 0.41 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1siy h LYS 52 CO -0.31 0.57 -0.65 0.00 -2.00 0.00 0.00 179.45 177.06 1siy h ALA 53 N 1.56 0.66 0.09 0.07 0.00 -1.36 -0.52 119.26 119.77 1siy h ALA 53 Ca 0.33 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 1siy h ALA 53 Cb 0.16 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1siy h ALA 53 CO -0.11 0.00 -0.83 0.00 0.00 0.00 0.00 179.25 178.31 1siy h ALA 54 N 2.08 -0.02 -0.04 0.00 0.00 0.41 -0.41 119.26 121.28 1siy h ALA 54 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.12 1siy h ALA 54 Cb 0.96 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1siy h ALA 54 CO 0.00 0.43 -0.54 0.00 0.00 0.00 0.00 179.25 179.14 1siy h ALA 55 N 0.20 1.04 -0.00 0.00 0.00 -0.45 -2.27 119.26 117.78 1siy h ALA 55 Ca -0.13 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1siy h ALA 55 Cb 1.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1siy h ALA 55 CO 0.16 0.68 -0.02 0.41 0.00 0.00 0.00 179.25 180.48 1siy n GLY 56 N 0.06 -1.27 0.34 0.00 0.00 -0.20 -3.45 105.19 100.66 1siy n GLY 56 Ca -0.02 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.28 2.56 -1.99 4.61 0.00 -0.17 -4.77 120.51 119.48 1siy n ALA 57 Ca 0.13 -0.37 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 1siy n ALA 57 Cb 0.26 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.89 3.43 -0.48 0.00 -7.23 -1.22 -4.89 120.40 108.11 1siy s VAL 58 Ca 0.32 -0.51 -0.12 0.00 -1.81 0.00 0.00 61.98 59.85 1siy s VAL 58 Cb 0.16 -4.12 0.11 0.00 0.56 0.00 0.00 36.38 33.09 1siy s VAL 58 CO 0.26 -0.84 0.39 -0.13 -0.31 0.00 0.00 175.10 174.46 1siy s ARG 59 N 7.05 2.74 0.00 4.82 1.81 -1.26 -4.13 118.95 129.97 1siy s ARG 59 Ca 0.72 -1.63 0.00 0.00 -1.72 0.00 0.00 55.73 53.10 1siy s ARG 59 Cb -0.05 -4.05 0.00 0.00 -0.45 0.00 0.00 34.95 30.40 1siy s ARG 59 CO 0.06 -1.17 0.00 0.41 -0.68 0.00 0.00 175.30 173.92 1siy n GLY 60 N 5.06 1.48 3.84 -3.53 0.00 -1.26 -5.03 105.19 105.75 1siy n GLY 60 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.38 5.06 -0.27 -0.61 1.09 -1.26 -4.81 121.20 118.02 1siy s ILE 61 Ca 0.00 0.75 -0.18 0.00 -1.10 0.00 0.00 60.65 60.12 1siy s ILE 61 Cb 0.00 -3.68 -0.02 0.00 -1.06 0.00 0.00 42.46 37.69 1siy s ILE 61 CO 0.00 0.54 0.52 0.20 -0.10 0.00 0.00 174.94 176.10 1siy s ASN 62 N -1.18 6.42 0.18 3.58 -0.87 -0.08 -4.82 114.94 118.17 1siy s ASN 62 Ca 0.25 0.45 0.25 0.00 -1.57 0.00 0.00 52.86 52.24 1siy s ASN 62 Cb -0.16 -2.28 0.90 0.00 -0.02 0.00 0.00 41.25 39.69 1siy s ASN 62 CO 0.14 -0.32 1.77 -0.81 -2.57 0.00 0.00 177.10 175.30 1siy n PRO 63 N 5.59 0.20 0.22 -0.60 -0.05 -1.26 -2.32 135.00 136.78 1siy n PRO 63 Ca -0.04 0.23 0.07 0.00 -0.05 0.00 0.00 63.50 63.71 1siy n PRO 63 Cb 0.50 -1.76 0.52 0.00 -0.05 0.00 0.00 33.50 32.71 1siy n PRO 63 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 175.50 172.50 1siy h ASN 64 N 0.00 0.00 1.64 3.54 -1.07 -1.93 -1.12 115.58 116.63 1siy h ASN 64 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 1siy h ASN 64 Cb 0.60 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.84 1siy h ASN 64 CO 0.00 0.23 -0.06 0.78 0.07 0.00 0.00 177.43 178.44 1siy h ASN 65 N 0.00 0.00 0.80 6.14 2.35 -1.77 -2.63 115.58 120.48 1siy h ASN 65 Ca -0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 1siy h ASN 65 Cb 0.46 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1siy h ASN 65 CO 0.03 0.06 -0.74 0.00 -1.65 0.00 0.00 177.43 175.14 1siy h ALA 66 N 1.94 0.74 0.04 -0.83 0.00 -1.29 -1.41 119.26 118.44 1siy h ALA 66 Ca -0.00 -0.67 -0.23 0.00 0.00 0.00 0.00 54.91 54.01 1siy h ALA 66 Cb 0.90 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1siy h ALA 66 CO 0.01 0.92 -1.01 0.93 0.00 0.00 0.00 179.25 180.10 1siy h GLU 67 N 0.00 0.23 0.00 0.00 4.39 -1.43 -3.18 114.58 114.59 1siy h GLU 67 Ca -0.01 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1siy h GLU 67 Cb 1.34 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1siy h GLU 67 CO 0.10 1.06 0.00 0.00 -1.16 0.00 0.00 179.01 179.01 1siy n ALA 68 N -2.48 2.41 -0.06 3.43 0.00 -1.00 -3.95 120.51 118.86 1siy n ALA 68 Ca -0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 1siy n ALA 68 Cb 0.89 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 0.00 -2.32 0.00 5.85 -1.23 -3.31 115.31 114.29 1siy h LEU 69 Ca 0.00 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1siy h LEU 69 Cb 0.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1siy h LEU 69 CO 0.00 0.64 0.06 1.55 -0.34 0.00 0.00 178.44 180.35 1siy h PRO 70 N -1.00 0.00 -0.40 5.25 0.13 -1.72 -0.82 132.00 133.44 1siy h PRO 70 Ca -0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 1siy h PRO 70 Cb 0.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 1siy h PRO 70 CO -0.00 0.00 0.02 0.78 -0.23 0.00 0.00 178.00 178.57 1siy h GLY 71 N 0.00 0.67 0.61 1.56 0.00 -1.72 -1.23 103.07 102.96 1siy h GLY 71 Ca 0.03 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 46.74 1siy h GLY 71 CO -0.00 0.38 -0.99 0.50 0.00 0.00 0.00 176.54 176.43 1siy h LYS 72 N 0.60 0.27 0.00 4.80 1.79 -1.25 -3.33 116.57 119.44 1siy h LYS 72 Ca 0.13 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1siy h LYS 72 Cb 0.35 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1siy h LYS 72 CO 0.01 1.22 0.00 0.00 -1.08 0.00 0.00 179.45 179.60 1siy n GLY 74 N 0.68 -0.13 2.31 0.00 0.00 -0.95 -4.96 105.19 102.15 1siy n GLY 74 Ca 0.12 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.11 0.11 -2.95 1.61 0.24 -0.51 -5.04 118.33 107.67 1siy n VAL 75 Ca -0.07 -4.27 -0.44 0.00 -2.04 0.00 0.00 64.34 57.51 1siy n VAL 75 Cb 0.58 -1.97 -0.03 0.00 -1.47 0.00 0.00 33.84 30.96 1siy n VAL 75 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1siy s ASN 76 N -1.35 6.57 0.63 -1.34 4.22 -1.26 -4.70 114.94 117.71 1siy s ASN 76 Ca 0.35 -1.94 -0.13 0.00 -2.14 0.00 0.00 52.86 49.01 1siy s ASN 76 Cb 0.14 -2.39 -0.02 0.00 1.28 0.00 0.00 41.25 40.26 1siy s ASN 76 CO -0.10 -1.08 1.04 0.27 -2.04 0.00 0.00 177.10 175.19 1siy s ILE 77 N 2.71 4.14 0.15 0.54 -0.00 -1.26 -4.98 121.20 122.49 1siy s ILE 77 Ca 0.30 0.82 0.20 0.00 -0.00 0.00 0.00 60.65 61.97 1siy s ILE 77 Cb -0.07 -3.51 0.17 0.00 -0.00 0.00 0.00 42.46 39.04 1siy s ILE 77 CO -0.07 -0.78 1.76 1.55 -0.00 0.00 0.00 174.94 177.40 1siy h PRO 78 N -0.11 0.00 0.00 0.37 0.13 -2.04 -3.45 132.00 126.90 1siy h PRO 78 Ca -0.45 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.25 1siy h PRO 78 Cb 1.21 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.41 1siy h PRO 78 CO 0.58 0.33 0.10 2.48 -0.23 0.00 0.00 178.00 181.26 1siy n TYR 79 N -3.48 -2.96 -4.45 1.56 0.18 -1.26 -5.12 117.16 101.62 1siy n TYR 79 Ca -0.00 -1.64 -0.22 0.00 1.88 0.00 0.00 57.90 57.92 1siy n TYR 79 Cb 0.49 -0.67 -0.10 0.00 -0.38 0.00 0.00 39.34 38.67 1siy n TYR 79 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1siy s LYS 80 N -4.90 1.62 0.00 -3.48 2.47 -1.26 -5.03 119.74 109.16 1siy s LYS 80 Ca 0.61 -1.85 0.29 0.00 -1.56 0.00 0.00 55.97 53.46 1siy s LYS 80 Cb -0.03 -1.13 1.20 0.00 -1.46 0.00 0.00 37.83 36.41 1siy s LYS 80 CO 0.41 -0.03 1.85 0.44 0.16 0.00 0.00 175.35 178.18 1siy n ILE 81 N -0.65 0.00 -1.29 5.43 -5.35 -1.26 -4.77 119.36 111.48 1siy n ILE 81 Ca -0.05 -0.06 -0.30 0.00 -0.27 0.00 0.00 62.75 62.08 1siy n ILE 81 Cb 0.65 -0.10 0.13 0.00 -1.74 0.00 0.00 39.64 38.58 1siy n ILE 81 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1siy s SER 82 N -2.51 3.55 -0.01 7.28 0.01 -1.26 -4.20 113.70 116.55 1siy s SER 82 Ca 0.28 1.38 0.03 0.00 1.31 0.00 0.00 55.95 58.95 1siy s SER 82 Cb 0.20 -2.06 0.11 0.00 0.21 0.00 0.00 66.02 64.48 1siy s SER 82 CO 0.48 -2.58 0.94 0.35 0.41 0.00 0.00 173.24 172.85 1siy n THR 83 N -3.83 0.27 -0.11 1.44 -2.24 -1.26 -3.23 114.28 105.31 1siy n THR 83 Ca 0.07 -0.18 0.03 0.00 -2.27 0.00 0.00 64.05 61.70 1siy n THR 83 Cb 0.56 -0.12 0.09 0.00 -2.10 0.00 0.00 70.33 68.75 1siy n THR 83 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1siy n SER 84 N -0.06 2.52 0.17 3.42 2.88 -1.26 -4.60 113.62 116.69 1siy n SER 84 Ca 0.04 -2.01 0.04 0.00 -1.33 0.00 0.00 58.87 55.61 1siy n SER 84 Cb 0.21 -0.13 0.27 0.00 -0.75 0.00 0.00 64.21 63.81 1siy n SER 84 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1siy h THR 85 N 1.12 0.96 -5.26 2.46 2.02 -1.85 -3.49 112.91 108.88 1siy h THR 85 Ca 0.00 -1.73 -0.00 0.00 0.77 0.00 0.00 66.41 65.45 1siy h THR 85 Cb 0.64 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1siy h THR 85 CO 0.00 0.43 -0.63 -3.20 0.37 0.00 0.00 175.52 172.49 1siy n ASN 86 N -3.52 -7.97 0.00 4.18 5.15 -1.26 -4.85 115.26 106.99 1siy n ASN 86 Ca -0.00 0.76 0.13 0.00 -0.60 0.00 0.00 54.58 54.87 1siy n ASN 86 Cb 0.56 -5.36 0.68 0.00 -0.53 0.00 0.00 39.78 35.13 1siy n ASN 86 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1siy h ASN 88 N 0.00 0.41 0.00 0.00 -1.24 -1.90 -3.32 115.58 109.53 1siy h ASN 88 Ca 0.00 -0.18 -0.07 0.00 0.71 0.00 0.00 56.30 56.76 1siy h ASN 88 Cb 0.23 -0.11 -0.16 0.00 0.73 0.00 0.00 38.32 39.01 1siy h ASN 88 CO 0.00 0.77 -0.66 -0.24 -1.29 0.00 0.00 177.43 176.01 1siy n SER 89 N -4.02 1.30 0.16 1.15 2.88 -1.19 -4.75 113.62 109.14 1siy n SER 89 Ca -0.02 -2.84 0.04 0.00 -1.33 0.00 0.00 58.87 54.73 1siy n SER 89 Cb 0.50 -0.39 0.46 0.00 -0.75 0.00 0.00 64.21 64.03 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 3.99 1.13 -0.01 2.46 3.07 -1.66 -3.52 117.51 122.98 1siy h ILE 90 Ca -0.09 -0.56 0.00 0.00 1.55 0.00 0.00 64.86 65.76 1siy h ILE 90 Cb 1.41 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 1siy h ILE 90 CO 0.04 0.17 0.00 -3.20 -1.05 0.00 0.00 178.15 174.11