#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 0.27 1.12 -2.24 -1.26 -4.72 114.28 107.44 1siy n THR 2 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1siy n THR 2 Cb 0.00 0.00 0.70 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.09 0.00 1.81 0.00 0.00 -1.97 -1.24 103.07 101.76 1siy h GLY 4 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1siy h GLY 4 CO 0.00 0.00 -0.95 0.06 0.00 0.00 0.00 176.54 175.65 1siy h GLN 5 N 0.00 0.16 -0.53 4.80 3.07 -1.12 -2.30 115.11 119.20 1siy h GLN 5 Ca -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 58.65 58.51 1siy h GLN 5 Cb 1.05 0.06 -0.02 0.00 0.08 0.00 0.00 27.48 28.66 1siy h GLN 5 CO 0.08 0.99 0.24 0.28 0.09 0.00 0.00 178.83 180.50 1siy h VAL 6 N 0.08 1.21 -0.95 1.86 2.07 -0.56 -2.60 116.25 117.37 1siy h VAL 6 Ca -0.05 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 66.93 1siy h VAL 6 Cb 1.62 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 1siy h VAL 6 CO 0.14 0.24 0.60 -0.61 0.02 0.00 0.00 177.57 177.96 1siy h GLN 7 N 0.71 1.07 0.00 1.57 5.75 -1.05 -0.10 115.11 123.06 1siy h GLN 7 Ca 0.18 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1siy h GLN 7 Cb 0.15 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.46 1siy h GLN 7 CO -0.02 0.71 0.00 0.41 -2.65 0.00 0.00 178.83 177.28 1siy n GLY 8 N -1.35 -0.87 0.02 2.39 0.00 -0.88 0.17 105.19 104.68 1siy n GLY 8 Ca 0.14 0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 1.19 1.61 -0.73 -0.95 -3.41 115.58 113.29 1siy h ASN 9 Ca 0.00 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.00 1siy h ASN 9 Cb 0.11 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 1siy h ASN 9 CO 0.00 0.23 -0.83 -0.07 -0.37 0.00 0.00 177.43 176.39 1siy h LEU 10 N -0.42 0.00 -2.09 0.34 3.38 -1.25 -3.17 115.31 112.10 1siy h LEU 10 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1siy h LEU 10 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1siy h LEU 10 CO 0.00 0.76 -0.08 0.00 0.09 0.00 0.00 178.44 179.22 1siy h ALA 11 N 1.24 1.48 0.00 1.53 0.00 -0.53 0.27 119.26 123.25 1siy h ALA 11 Ca -0.02 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1siy h ALA 11 Cb 1.60 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1siy h ALA 11 CO 0.10 0.10 -0.72 1.96 0.00 0.00 0.00 179.25 180.68 1siy h GLN 12 N 0.00 0.00 -0.00 0.00 1.08 -1.73 -3.24 115.11 111.22 1siy h GLN 12 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1siy h GLN 12 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1siy h GLN 12 CO 0.01 0.53 -0.85 0.00 -0.95 0.00 0.00 178.83 177.57 1siy h ILE 14 N 0.68 0.82 0.00 0.00 2.04 -0.53 1.23 117.51 121.77 1siy h ILE 14 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1siy h ILE 14 Cb 0.57 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1siy h ILE 14 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 178.15 178.89 1siy n GLY 15 N -1.43 1.75 0.84 5.37 0.00 -1.26 -1.34 105.19 109.12 1siy n GLY 15 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1siy n GLY 15 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1siy n PHE 16 N 0.66 -0.75 -0.34 1.61 -0.00 -0.01 -4.62 117.46 114.02 1siy n PHE 16 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.39 1siy n PHE 16 Cb 0.43 0.21 -0.02 0.00 -0.00 0.00 0.00 39.48 40.10 1siy n PHE 16 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1siy h LEU 17 N 0.00 -1.66 0.00 -2.13 5.85 0.17 0.14 115.31 117.68 1siy h LEU 17 Ca 0.00 0.30 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1siy h LEU 17 Cb 0.00 0.79 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1siy h LEU 17 CO 0.00 -0.29 -0.02 -0.61 -0.34 0.00 0.00 178.44 177.19 1siy h GLN 18 N -0.07 0.00 0.31 1.25 -0.00 -1.44 -2.17 115.11 112.98 1siy h GLN 18 Ca 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.88 1siy h GLN 18 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 1siy h GLN 18 CO -0.88 0.00 -0.26 0.87 0.00 0.00 0.00 178.83 178.56 1siy h LYS 19 N -0.17 -0.54 0.00 1.69 1.57 -1.71 -3.38 116.57 114.04 1siy h LYS 19 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1siy h LYS 19 Cb 0.02 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1siy h LYS 19 CO 0.00 -0.36 0.00 0.41 -0.57 0.00 0.00 179.45 178.93 1siy n GLY 20 N -1.30 0.78 0.00 3.86 0.00 0.48 -4.99 105.19 104.01 1siy n GLY 20 Ca -0.07 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.12 0.15 3.03 -0.02 0.00 -1.26 -5.00 105.19 102.21 1siy n GLY 21 Ca 0.00 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 0.49 0.08 -0.27 1.61 0.11 -1.26 -5.08 120.40 116.08 1siy s VAL 22 Ca 0.00 -0.67 -0.20 0.00 -2.93 0.00 0.00 61.98 58.18 1siy s VAL 22 Cb 0.00 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1siy s VAL 22 CO 0.00 -0.37 0.61 -0.69 -3.33 0.00 0.00 175.10 171.32 1siy s VAL 23 N -1.19 4.98 0.53 2.04 1.01 -1.26 -4.72 120.40 121.80 1siy s VAL 23 Ca -0.13 1.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.69 1siy s VAL 23 Cb -0.07 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1siy s VAL 23 CO 0.00 -0.01 1.02 -2.16 0.00 0.00 0.00 175.10 173.95 1siy s PRO 24 N 2.51 3.71 0.00 2.72 0.04 -1.26 -4.93 135.00 137.79 1siy s PRO 24 Ca 0.25 1.12 0.04 0.00 0.04 0.00 0.00 61.00 62.46 1siy s PRO 24 Cb -0.15 -2.09 0.20 0.00 0.04 0.00 0.00 34.50 32.49 1siy s PRO 24 CO 0.09 -0.48 1.08 -2.30 0.04 0.00 0.00 177.00 175.44 1siy n PRO 25 N -1.57 0.02 -0.04 0.56 -0.02 -1.26 -1.81 135.00 130.88 1siy n PRO 25 Ca 0.08 0.35 -0.17 0.00 -2.02 0.00 0.00 63.50 61.74 1siy n PRO 25 Cb 0.53 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.38 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 0.13 0.01 2.55 0.02 -1.96 -2.35 113.55 111.95 1siy h SER 26 Ca 0.00 -0.92 0.02 0.00 -0.84 0.00 0.00 61.79 60.05 1siy h SER 26 Cb 0.06 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1siy h SER 26 CO 0.00 1.19 -0.13 0.00 -1.14 0.00 0.00 176.83 176.76 1siy h THR 29 N 0.37 1.27 -0.13 0.00 2.02 -1.04 -1.85 112.91 113.55 1siy h THR 29 Ca 0.21 -1.31 -0.17 0.00 0.77 0.00 0.00 66.41 65.90 1siy h THR 29 Cb 0.36 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1siy h THR 29 CO -0.05 0.45 -0.64 1.23 0.37 0.00 0.00 175.52 176.87 1siy h GLY 30 N 0.73 0.53 0.91 2.16 0.00 -0.05 -2.34 103.07 105.02 1siy h GLY 30 Ca 0.10 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1siy h GLY 30 CO 0.06 0.61 -0.37 -2.08 0.00 0.00 0.00 176.54 174.75 1siy h VAL 31 N 0.35 0.16 0.00 4.60 2.07 -0.07 -0.97 116.25 122.40 1siy h VAL 31 Ca -0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1siy h VAL 31 Cb 1.20 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1siy h VAL 31 CO 0.12 0.01 0.00 2.29 0.02 0.00 0.00 177.57 180.01 1siy n LYS 32 N -5.50 0.12 0.07 1.57 2.85 -0.70 -1.60 118.16 114.96 1siy n LYS 32 Ca -0.14 0.52 -0.03 0.00 -1.05 0.00 0.00 58.31 57.61 1siy n LYS 32 Cb 0.42 -1.82 -0.02 0.00 -0.65 0.00 0.00 35.03 32.97 1siy n LYS 32 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 1siy h ASN 33 N 0.00 -0.18 -0.16 -5.58 -0.73 -0.96 0.87 115.58 108.84 1siy h ASN 33 Ca 0.00 0.01 0.05 0.00 1.87 0.00 0.00 56.30 58.22 1siy h ASN 33 Cb 0.13 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 1siy h ASN 33 CO 0.00 0.06 0.31 0.40 -0.37 0.00 0.00 177.43 177.83 1siy h ILE 34 N -0.60 0.20 0.00 2.57 5.03 -0.52 1.01 117.51 125.21 1siy h ILE 34 Ca -0.02 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.72 1siy h ILE 34 Cb 0.17 0.72 0.00 0.00 -3.03 0.00 0.00 36.82 34.68 1siy h ILE 34 CO 0.04 0.00 -0.01 0.18 -0.68 0.00 0.00 178.15 177.68 1siy n LEU 35 N -3.32 0.02 -0.07 1.44 7.99 -0.63 -4.48 117.00 117.95 1siy n LEU 35 Ca 0.01 0.21 -0.11 0.00 -0.01 0.00 0.00 56.01 56.12 1siy n LEU 35 Cb 0.42 -0.50 -0.09 0.00 -0.11 0.00 0.00 43.42 43.13 1siy n LEU 35 CO 0.21 -0.50 0.18 -1.13 -1.51 0.00 0.00 177.39 174.64 1siy h ASN 36 N -0.01 0.00 0.83 -1.43 -0.73 -0.76 -3.35 115.58 110.13 1siy h ASN 36 Ca 0.00 -0.66 0.00 0.00 1.87 0.00 0.00 56.30 57.51 1siy h ASN 36 Cb 0.01 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1siy h ASN 36 CO 0.00 0.90 0.00 -1.20 -0.37 0.00 0.00 177.43 176.76 1siy n SER 37 N -4.64 0.27 -4.65 1.15 7.64 0.08 -4.63 113.62 108.84 1siy n SER 37 Ca -0.09 0.55 -0.43 0.00 1.01 0.00 0.00 58.87 59.91 1siy n SER 37 Cb 0.37 -0.61 -0.02 0.00 -1.01 0.00 0.00 64.21 62.93 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 -3.51 6.71 -0.13 6.43 1.04 0.33 -4.89 113.70 119.67 1siy s SER 38 Ca 0.09 1.95 -0.11 0.00 0.48 0.00 0.00 55.95 58.36 1siy s SER 38 Cb 0.12 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.65 1siy s SER 38 CO 0.41 -0.93 -0.24 -1.14 0.98 0.00 0.00 173.24 172.32 1siy n ARG 39 N 7.06 0.38 -1.70 4.02 0.63 -1.26 -4.84 116.66 120.94 1siy n ARG 39 Ca 0.16 0.16 -0.20 0.00 -0.92 0.00 0.00 57.85 57.05 1siy n ARG 39 Cb 0.44 -1.15 0.12 0.00 0.45 0.00 0.00 32.46 32.32 1siy n ARG 39 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1siy n THR 40 N -4.03 0.00 -0.18 5.15 -2.24 -1.26 -4.82 114.28 106.91 1siy n THR 40 Ca -0.21 -0.93 -0.10 0.00 -2.27 0.00 0.00 64.05 60.55 1siy n THR 40 Cb 0.52 -1.36 0.01 0.00 -2.10 0.00 0.00 70.33 67.40 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 -1.98 -1.22 112.91 116.17 1siy h THR 41 Ca -0.29 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 65.86 1siy h THR 41 Cb 0.89 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1siy h THR 41 CO 0.24 0.37 0.00 0.00 0.37 0.00 0.00 175.52 176.50 1siy n ALA 42 N -2.43 1.55 -0.07 6.16 0.00 -1.26 0.15 120.51 124.61 1siy n ALA 42 Ca 0.01 0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 1siy n ALA 42 Cb 0.30 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 1siy n ALA 42 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1siy h ASP 43 N 0.00 0.08 0.00 0.00 3.32 -1.61 -3.34 116.42 114.87 1siy h ASP 43 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.30 1siy h ASP 43 Cb 0.24 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1siy h ASP 43 CO 0.00 1.35 -1.46 0.54 -1.72 0.00 0.00 179.24 177.94 1siy n ARG 44 N -4.39 0.86 -0.04 3.56 1.74 -0.57 -3.09 116.66 114.73 1siy n ARG 44 Ca -0.23 -0.11 -0.02 0.00 -0.77 0.00 0.00 57.85 56.73 1siy n ARG 44 Cb 0.66 -1.34 -0.14 0.00 -1.02 0.00 0.00 32.46 30.61 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 -1.87 0.66 0.11 5.56 3.00 0.12 -3.88 116.66 120.36 1siy n ARG 45 Ca -0.01 0.01 0.06 0.00 -0.00 0.00 0.00 57.85 57.90 1siy n ARG 45 Cb 0.37 -1.60 0.01 0.00 0.00 0.00 0.00 32.46 31.24 1siy n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1siy h ALA 46 N 1.38 0.67 -0.30 5.13 0.00 -1.66 -3.27 119.26 121.20 1siy h ALA 46 Ca -0.30 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.12 1siy h ALA 46 Cb 1.74 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1siy h ALA 46 CO 0.03 0.43 -0.30 -0.24 0.00 0.00 0.00 179.25 179.17 1siy h VAL 47 N 0.00 1.30 -0.20 0.00 3.04 -1.69 -1.41 116.25 117.28 1siy h VAL 47 Ca -0.05 -1.46 -0.13 0.00 -1.01 0.00 0.00 66.70 64.05 1siy h VAL 47 Cb 1.27 1.55 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 1siy h VAL 47 CO 0.03 0.47 -0.42 0.00 -1.01 0.00 0.00 177.57 176.64 1siy h SER 49 N 0.39 0.80 0.30 0.00 0.87 -1.59 -2.24 113.55 112.09 1siy h SER 49 Ca 0.03 -0.19 -0.33 0.00 -1.23 0.00 0.00 61.79 60.07 1siy h SER 49 Cb 0.90 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1siy h SER 49 CO 0.08 0.86 -1.64 0.00 -0.53 0.00 0.00 176.83 175.60 1siy h LEU 51 N 0.10 0.34 -0.73 0.00 5.85 0.11 0.15 115.31 121.13 1siy h LEU 51 Ca -0.29 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.60 1siy h LEU 51 Cb 2.08 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 43.02 1siy h LEU 51 CO 0.18 0.08 0.32 0.50 -0.34 0.00 0.00 178.44 179.18 1siy h LYS 52 N 0.31 0.49 0.22 1.25 3.64 -1.45 0.51 116.57 121.53 1siy h LYS 52 Ca 0.56 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.61 1siy h LYS 52 Cb 1.57 -0.11 0.03 0.00 -0.41 0.00 0.00 32.23 33.32 1siy h LYS 52 CO -0.21 0.32 -1.29 0.00 -2.27 0.00 0.00 179.45 176.00 1siy h ALA 53 N 1.50 -0.15 -0.58 5.00 0.00 -0.92 -2.82 119.26 121.29 1siy h ALA 53 Ca 0.39 -0.81 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1siy h ALA 53 Cb 0.52 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1siy h ALA 53 CO -0.35 0.60 0.13 0.00 0.00 0.00 0.00 179.25 179.63 1siy h ALA 54 N 0.13 0.77 0.00 0.00 0.00 -0.80 0.28 119.26 119.65 1siy h ALA 54 Ca -0.23 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1siy h ALA 54 Cb 2.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1siy h ALA 54 CO 0.24 0.49 -0.06 0.00 0.00 0.00 0.00 179.25 179.92 1siy n ALA 55 N -2.42 2.46 0.86 0.00 0.00 0.17 -2.86 120.51 118.73 1siy n ALA 55 Ca 0.03 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.44 1siy n ALA 55 Cb 0.24 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 1siy n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1siy n GLY 56 N 1.48 -0.05 0.10 0.00 0.00 -0.77 -4.29 105.19 101.65 1siy n GLY 56 Ca 0.07 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.17 2.10 -1.54 4.61 0.00 0.93 -4.76 120.51 121.68 1siy n ALA 57 Ca 0.08 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 1siy n ALA 57 Cb 0.40 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 1siy n ALA 57 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1siy n VAL 58 N -2.17 -0.04 -3.44 0.00 0.24 -1.26 -4.89 118.33 106.77 1siy n VAL 58 Ca 0.05 -0.58 -0.44 0.00 -2.04 0.00 0.00 64.34 61.33 1siy n VAL 58 Cb 0.36 -2.00 -0.05 0.00 -1.47 0.00 0.00 33.84 30.68 1siy n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1siy s ARG 59 N 8.47 3.09 0.00 7.34 6.06 -1.26 -4.13 118.95 138.52 1siy s ARG 59 Ca 1.05 -2.21 0.00 0.00 -2.50 0.00 0.00 55.73 52.07 1siy s ARG 59 Cb -0.37 -4.18 0.00 0.00 0.06 0.00 0.00 34.95 30.45 1siy s ARG 59 CO 0.27 -1.26 0.00 0.41 -2.50 0.00 0.00 175.30 172.22 1siy n GLY 60 N 4.29 1.78 3.77 8.12 0.00 -1.26 -5.03 105.19 116.85 1siy n GLY 60 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1siy n GLY 60 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1siy s ILE 61 N -2.00 2.16 -0.35 -0.61 1.10 -1.26 -4.64 121.20 115.61 1siy s ILE 61 Ca 0.00 0.15 -0.20 0.00 -0.51 0.00 0.00 60.65 60.09 1siy s ILE 61 Cb 0.00 -3.09 -0.00 0.00 0.15 0.00 0.00 42.46 39.52 1siy s ILE 61 CO 0.00 0.03 0.61 0.20 -2.11 0.00 0.00 174.94 173.66 1siy s ASN 62 N -0.45 6.41 0.47 4.50 0.01 -0.82 -4.95 114.94 120.11 1siy s ASN 62 Ca 0.58 0.14 0.17 0.00 -0.71 0.00 0.00 52.86 53.04 1siy s ASN 62 Cb -0.43 -2.31 1.16 0.00 0.41 0.00 0.00 41.25 40.07 1siy s ASN 62 CO 0.57 -0.55 2.00 -0.65 -1.51 0.00 0.00 177.10 176.96 1siy h PRO 63 N 8.43 0.24 -0.62 -0.60 0.11 -1.94 0.22 132.00 137.84 1siy h PRO 63 Ca -0.27 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1siy h PRO 63 Cb 1.11 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1siy h PRO 63 CO 0.82 0.16 0.28 -0.97 -0.21 0.00 0.00 178.00 178.07 1siy h ASN 64 N 0.25 0.83 1.03 -2.05 -1.24 -1.95 -2.67 115.58 109.78 1siy h ASN 64 Ca 0.24 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1siy h ASN 64 Cb 0.62 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1siy h ASN 64 CO -0.05 0.75 -0.29 0.59 -1.29 0.00 0.00 177.43 177.15 1siy n ASN 65 N -4.48 0.57 0.23 1.15 3.02 0.41 -2.50 115.26 113.67 1siy n ASN 65 Ca 0.04 0.28 0.10 0.00 -0.03 0.00 0.00 54.58 54.97 1siy n ASN 65 Cb 0.14 -0.26 0.53 0.00 -0.61 0.00 0.00 39.78 39.59 1siy n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1siy h ALA 66 N 2.69 1.10 -0.01 5.41 0.00 -0.37 -0.96 119.26 127.12 1siy h ALA 66 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1siy h ALA 66 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1siy h ALA 66 CO 0.00 0.26 -0.20 -1.91 0.00 0.00 0.00 179.25 177.41 1siy n GLU 67 N -3.49 0.84 0.00 0.00 4.07 -1.04 -2.95 120.64 118.08 1siy n GLU 67 Ca -0.01 -0.44 0.11 0.00 -0.06 0.00 0.00 57.16 56.76 1siy n GLU 67 Cb 0.38 -1.49 0.03 0.00 -0.06 0.00 0.00 31.44 30.30 1siy n GLU 67 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1siy n ALA 68 N -0.69 3.74 -0.08 4.31 0.00 -0.45 -4.29 120.51 123.06 1siy n ALA 68 Ca 0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 1siy n ALA 68 Cb 0.33 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 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 1.74 0.36 -2.09 0.00 6.46 -1.21 -1.52 115.31 119.04 1siy h LEU 69 Ca 0.00 -0.21 0.09 0.00 -0.12 0.00 0.00 57.88 57.65 1siy h LEU 69 Cb 0.67 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1siy h LEU 69 CO 0.00 0.47 0.30 1.55 -0.62 0.00 0.00 178.44 180.14 1siy h PRO 70 N 0.23 0.00 0.00 5.25 0.13 -1.75 -3.47 132.00 132.38 1siy h PRO 70 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1siy h PRO 70 Cb 0.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.37 1siy h PRO 70 CO -0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 1siy n GLY 71 N -1.50 3.40 0.24 1.56 0.00 -0.57 -4.71 105.19 103.61 1siy n GLY 71 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1siy n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1siy n LYS 72 N 0.22 0.70 -0.36 1.61 4.76 -1.25 -3.82 118.16 120.03 1siy n LYS 72 Ca 0.00 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 1siy n LYS 72 Cb 0.00 -1.17 0.23 0.00 -1.84 0.00 0.00 35.03 32.25 1siy n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1siy n GLY 74 N 1.02 0.88 3.44 0.00 0.00 -1.25 -5.00 105.19 104.27 1siy n GLY 74 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.42 4.82 -0.88 1.61 -7.23 -1.26 -4.96 120.40 110.08 1siy s VAL 75 Ca 0.00 -1.63 -0.19 0.00 -1.81 0.00 0.00 61.98 58.35 1siy s VAL 75 Cb 0.00 -4.74 0.12 0.00 0.56 0.00 0.00 36.38 32.32 1siy s VAL 75 CO 0.00 -1.44 1.10 0.20 -0.31 0.00 0.00 175.10 174.65 1siy s ASN 76 N 3.47 6.54 0.36 4.85 -0.87 -1.26 -4.30 114.94 123.73 1siy s ASN 76 Ca 0.30 -1.84 -0.25 0.00 -1.57 0.00 0.00 52.86 49.51 1siy s ASN 76 Cb -0.06 -2.41 -0.10 0.00 -0.02 0.00 0.00 41.25 38.66 1siy s ASN 76 CO -0.09 -1.14 0.98 0.27 -2.57 0.00 0.00 177.10 174.55 1siy s ILE 77 N 2.99 4.07 0.07 0.60 -4.36 -1.26 -5.00 121.20 118.31 1siy s ILE 77 Ca 0.31 1.60 -0.22 0.00 -0.26 0.00 0.00 60.65 62.08 1siy s ILE 77 Cb -0.07 -3.84 -0.13 0.00 1.25 0.00 0.00 42.46 39.67 1siy s ILE 77 CO -0.06 0.03 1.59 -0.65 0.24 0.00 0.00 174.94 176.09 1siy h PRO 78 N 2.76 0.14 -7.33 0.37 0.11 -1.96 -3.44 132.00 122.65 1siy h PRO 78 Ca -0.48 -0.03 -0.50 0.00 0.11 0.00 0.00 66.00 65.11 1siy h PRO 78 Cb 1.20 -0.02 0.13 0.00 0.11 0.00 0.00 31.00 32.42 1siy h PRO 78 CO 0.63 0.27 0.30 1.52 -0.21 0.00 0.00 178.00 180.51 1siy s TYR 79 N -5.50 2.54 0.35 0.65 -0.85 -1.26 -5.06 117.35 108.22 1siy s TYR 79 Ca -0.14 1.39 0.08 0.00 -0.52 0.00 0.00 57.07 57.88 1siy s TYR 79 Cb 0.06 -3.09 -0.04 0.00 0.38 0.00 0.00 41.96 39.27 1siy s TYR 79 CO 0.69 -1.99 0.20 0.21 -1.52 0.00 0.00 175.55 173.14 1siy s LYS 80 N -4.95 2.46 0.00 -3.49 2.47 -1.26 -5.01 119.74 109.97 1siy s LYS 80 Ca 0.62 -1.50 0.18 0.00 -1.56 0.00 0.00 55.97 53.71 1siy s LYS 80 Cb -0.17 -2.25 0.79 0.00 -1.46 0.00 0.00 37.83 34.73 1siy s LYS 80 CO 0.56 0.07 1.58 0.44 0.16 0.00 0.00 175.35 178.16 1siy n ILE 81 N -1.24 0.73 -1.68 5.43 -5.35 -1.26 -4.76 119.36 111.23 1siy n ILE 81 Ca -0.02 0.18 -0.43 0.00 -0.27 0.00 0.00 62.75 62.21 1siy n ILE 81 Cb 0.61 -0.87 -0.03 0.00 -1.74 0.00 0.00 39.64 37.61 1siy n ILE 81 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1siy n SER 82 N -1.49 4.02 0.00 7.28 2.88 -1.26 -4.83 113.62 120.22 1siy n SER 82 Ca 0.05 0.97 0.02 0.00 -1.33 0.00 0.00 58.87 58.57 1siy n SER 82 Cb 0.21 -1.53 0.10 0.00 -0.75 0.00 0.00 64.21 62.24 1siy n SER 82 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1siy n THR 83 N 4.89 0.00 1.08 2.46 -2.24 -1.26 -1.91 114.28 117.29 1siy n THR 83 Ca 0.19 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 1siy n THR 83 Cb 0.37 -0.29 0.16 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.59 1.13 -4.84 3.42 7.64 -1.26 -4.89 113.62 114.23 1siy n SER 84 Ca 0.03 -0.90 -0.32 0.00 1.01 0.00 0.00 58.87 58.68 1siy n SER 84 Cb 0.01 0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 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 -2.72 4.49 -0.07 0.44 -1.32 -0.80 -5.01 115.64 110.64 1siy s THR 85 Ca 0.16 1.18 -0.22 0.00 -1.21 0.00 0.00 61.69 61.60 1siy s THR 85 Cb 0.18 -3.70 -0.04 0.00 -1.51 0.00 0.00 72.50 67.43 1siy s THR 85 CO 0.65 -0.70 0.64 0.54 -2.21 0.00 0.00 174.62 173.54 1siy s ASN 86 N -3.10 6.92 0.10 8.08 4.22 -1.26 -4.91 114.94 124.99 1siy s ASN 86 Ca 0.59 1.10 0.25 0.00 -2.14 0.00 0.00 52.86 52.66 1siy s ASN 86 Cb -0.10 -2.38 0.55 0.00 1.28 0.00 0.00 41.25 40.60 1siy s ASN 86 CO 0.33 -0.07 1.49 0.00 -2.04 0.00 0.00 177.10 176.80 1siy h ASN 88 N 0.00 0.00 0.00 0.00 -1.24 -1.93 -3.35 115.58 109.05 1siy h ASN 88 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1siy h ASN 88 Cb 0.68 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.73 1siy h ASN 88 CO 0.00 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 174.60 1siy n SER 89 N -3.31 0.00 -0.43 1.15 3.41 -1.26 -5.11 113.62 108.07 1siy n SER 89 Ca 0.01 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.63 1siy n SER 89 Cb 0.42 0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.74 0.00 -1.01 -1.33 -5.35 -1.19 -5.02 119.36 103.72 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 -0.03 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 1siy n ILE 90 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33