#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yi2 n SER 2 N 0.00 0.72 -3.63 2.55 3.41 -1.26 -4.90 113.62 110.52 1yi2 n SER 2 Ca 0.00 -0.52 -0.12 0.00 -0.26 0.00 0.00 58.87 57.97 1yi2 n SER 2 Cb 0.00 0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 1yi2 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1yi2 s SER 3 N -2.89 -0.30 -0.22 4.04 1.04 -1.26 -5.08 113.70 109.03 1yi2 s SER 3 Ca 0.13 -0.11 0.11 0.00 0.48 0.00 0.00 55.95 56.56 1yi2 s SER 3 Cb 0.18 0.46 0.44 0.00 0.10 0.00 0.00 66.02 67.19 1yi2 s SER 3 CO 0.69 -0.76 1.28 -3.20 0.98 0.00 0.00 173.24 172.23 1yi2 n ASN 4 N 0.14 2.00 -4.71 7.02 5.15 -1.26 -4.93 115.26 118.67 1yi2 n ASN 4 Ca -0.17 -3.80 -0.29 0.00 -0.60 0.00 0.00 54.58 49.72 1yi2 n ASN 4 Cb 0.62 -0.55 0.15 0.00 -0.53 0.00 0.00 39.78 39.47 1yi2 n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1yi2 s GLY 5 N -3.00 1.60 0.30 8.20 0.00 -1.26 -4.95 107.32 108.20 1yi2 s GLY 5 Ca 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.90 1yi2 s GLY 5 CO -0.04 0.33 1.97 -2.55 0.00 0.00 0.00 173.10 172.81 1yi2 h PRO 6 N -1.64 1.06 -0.58 2.90 0.11 -2.05 -2.75 132.00 129.05 1yi2 h PRO 6 Ca -0.51 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1yi2 h PRO 6 Cb 1.30 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1yi2 h PRO 6 CO 0.56 0.70 0.00 1.28 -0.21 0.00 0.00 178.00 180.33 1yi2 n LEU 7 N -4.42 2.57 -4.70 2.35 4.77 -1.26 -4.68 117.00 111.63 1yi2 n LEU 7 Ca 0.09 -1.30 -0.42 0.00 -0.03 0.00 0.00 56.01 54.36 1yi2 n LEU 7 Cb 0.04 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1yi2 n LEU 7 CO 0.36 0.45 1.20 -0.70 -1.33 0.00 0.00 177.39 177.37 1yi2 s GLU 8 N -1.68 4.25 -0.97 3.23 -6.30 -1.04 -2.75 118.70 113.44 1yi2 s GLU 8 Ca 0.25 2.17 -0.01 0.00 -2.50 0.00 0.00 54.97 54.88 1yi2 s GLU 8 Cb 0.16 -3.46 0.00 0.00 0.00 0.00 0.00 34.13 30.83 1yi2 s GLU 8 CO 0.12 -0.61 0.14 0.41 0.02 0.00 0.00 175.26 175.34 1yi2 n GLY 9 N 3.76 -0.08 0.43 -1.50 0.00 -1.26 -4.92 105.19 101.61 1yi2 n GLY 9 Ca 0.14 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.86 1yi2 n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yi2 n THR 10 N -4.00 0.83 -0.29 2.61 -2.24 -1.11 -4.68 114.28 105.40 1yi2 n THR 10 Ca -0.11 -0.91 0.12 0.00 -2.27 0.00 0.00 64.05 60.88 1yi2 n THR 10 Cb 0.59 0.62 0.28 0.00 -2.10 0.00 0.00 70.33 69.72 1yi2 n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1yi2 h ARG 11 N 1.46 0.25 0.04 -0.78 2.43 -1.91 -0.83 114.38 115.03 1yi2 h ARG 11 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1yi2 h ARG 11 Cb 0.61 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1yi2 h ARG 11 CO 0.00 0.17 -0.02 0.78 -1.51 0.00 0.00 179.97 179.39 1yi2 h GLY 12 N 0.26 -0.05 1.00 2.80 0.00 -1.94 -3.33 103.07 101.80 1yi2 h GLY 12 Ca 0.54 0.02 0.13 0.00 0.00 0.00 0.00 47.33 48.02 1yi2 h GLY 12 CO -0.61 -0.02 0.38 0.07 0.00 0.00 0.00 176.54 176.36 1yi2 h LYS 13 N -0.13 0.00 -0.68 4.80 2.10 -1.85 -2.16 116.57 118.65 1yi2 h LYS 13 Ca -0.01 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.44 1yi2 h LYS 13 Cb 0.04 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.25 1yi2 h LYS 13 CO 0.01 0.00 0.23 1.28 -2.00 0.00 0.00 179.45 178.97 1yi2 n LEU 14 N -4.11 5.79 -4.23 7.07 4.77 -0.33 -4.86 117.00 121.10 1yi2 n LEU 14 Ca 0.08 -3.26 -0.24 0.00 -0.03 0.00 0.00 56.01 52.56 1yi2 n LEU 14 Cb 0.57 -0.72 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 1yi2 n LEU 14 CO 0.33 0.84 -0.51 -0.75 -1.33 0.00 0.00 177.39 175.97 1yi2 s LYS 15 N -3.01 1.26 0.18 3.23 2.20 -0.81 -4.71 119.74 118.08 1yi2 s LYS 15 Ca 0.53 -0.94 -0.09 0.00 -0.36 0.00 0.00 55.97 55.11 1yi2 s LYS 15 Cb 0.43 -1.37 -0.07 0.00 -1.51 0.00 0.00 37.83 35.31 1yi2 s LYS 15 CO 0.12 0.34 0.49 -0.80 -0.36 0.00 0.00 175.35 175.15 1yi2 s ASN 16 N -1.29 6.63 0.32 1.43 0.02 -1.26 -4.92 114.94 115.87 1yi2 s ASN 16 Ca 0.06 0.86 -0.28 0.00 -1.02 0.00 0.00 52.86 52.47 1yi2 s ASN 16 Cb -0.09 -2.20 -0.10 0.00 0.02 0.00 0.00 41.25 38.89 1yi2 s ASN 16 CO 0.02 0.01 1.19 -0.54 0.02 0.00 0.00 177.10 177.80 1yi2 s LYS 17 N -2.54 4.43 0.39 -0.60 3.01 -1.26 -4.88 119.74 118.29 1yi2 s LYS 17 Ca 0.43 1.96 0.28 0.00 -1.01 0.00 0.00 55.97 57.63 1yi2 s LYS 17 Cb -0.12 -3.05 1.32 0.00 -1.01 0.00 0.00 37.83 34.97 1yi2 s LYS 17 CO 0.21 -0.03 1.39 -2.30 0.51 0.00 0.00 175.35 175.13 1yi2 n PRO 18 N 0.84 -0.03 0.09 -1.68 -0.02 -1.26 -0.58 135.00 132.36 1yi2 n PRO 18 Ca 0.00 1.12 0.13 0.00 -2.02 0.00 0.00 63.50 62.73 1yi2 n PRO 18 Cb 0.44 -2.20 0.35 0.00 -0.02 0.00 0.00 33.50 32.07 1yi2 n PRO 18 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1yi2 n ARG 19 N -4.52 0.27 -0.23 -0.52 1.74 -1.26 -2.95 116.66 109.19 1yi2 n ARG 19 Ca 0.36 0.19 0.11 0.00 -0.77 0.00 0.00 57.85 57.73 1yi2 n ARG 19 Cb 1.38 -1.78 0.26 0.00 -1.02 0.00 0.00 32.46 31.31 1yi2 n ARG 19 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1yi2 n ASP 20 N -2.23 3.15 -4.69 0.55 8.00 0.26 -4.95 116.55 116.63 1yi2 n ASP 20 Ca 0.05 -1.96 -0.32 0.00 0.71 0.00 0.00 54.79 53.28 1yi2 n ASP 20 Cb 0.43 -0.30 0.15 0.00 -0.02 0.00 0.00 41.12 41.38 1yi2 n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1yi2 s ARG 21 N -1.40 1.34 0.00 -1.24 3.52 -1.15 -4.89 118.95 115.13 1yi2 s ARG 21 Ca 0.39 1.55 0.00 0.00 -0.13 0.00 0.00 55.73 57.54 1yi2 s ARG 21 Cb 0.22 -1.76 0.00 0.00 -1.56 0.00 0.00 34.95 31.84 1yi2 s ARG 21 CO 0.30 -2.39 0.00 0.41 -0.81 0.00 0.00 175.30 172.80 1yi2 n GLY 22 N 0.08 -1.86 3.39 8.12 0.00 -1.26 -4.94 105.19 108.72 1yi2 n GLY 22 Ca 0.12 -1.52 -0.54 0.00 0.00 0.00 0.00 46.02 44.07 1yi2 n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yi2 n THR 23 N -1.49 0.62 -2.82 2.61 -1.04 -1.26 -4.87 114.28 106.02 1yi2 n THR 23 Ca 0.00 -0.15 -0.31 0.00 -2.04 0.00 0.00 64.05 61.55 1yi2 n THR 23 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1yi2 n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1yi2 s SER 24 N -0.31 6.55 0.27 8.00 0.01 -1.26 -5.02 113.70 121.94 1yi2 s SER 24 Ca 0.81 1.19 -0.31 0.00 1.31 0.00 0.00 55.95 58.95 1yi2 s SER 24 Cb -1.14 -2.35 -0.12 0.00 0.21 0.00 0.00 66.02 62.63 1yi2 s SER 24 CO 0.55 -0.41 1.59 -2.65 0.41 0.00 0.00 173.24 172.74 1yi2 n PRO 25 N -1.27 2.61 0.24 12.44 -0.02 -1.26 -4.92 135.00 142.84 1yi2 n PRO 25 Ca 0.03 0.93 0.11 0.00 -2.02 0.00 0.00 63.50 62.55 1yi2 n PRO 25 Cb 0.54 -2.71 0.61 0.00 -0.02 0.00 0.00 33.50 31.92 1yi2 n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1yi2 h PRO 26 N 5.06 0.00 -0.40 0.52 0.11 -2.00 -3.32 132.00 131.97 1yi2 h PRO 26 Ca -0.46 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.72 1yi2 h PRO 26 Cb 1.23 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 1yi2 h PRO 26 CO 0.82 0.17 -0.38 0.37 -0.21 0.00 0.00 178.00 178.77 1yi2 h GLN 27 N 0.00 -0.28 0.00 1.05 5.75 -2.00 -1.18 115.11 118.45 1yi2 h GLN 27 Ca -0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1yi2 h GLN 27 Cb 0.51 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1yi2 h GLN 27 CO 0.02 -0.19 0.00 2.89 -2.65 0.00 0.00 178.83 178.90 1yi2 n ARG 28 N -5.42 0.14 0.00 1.69 1.85 -1.25 -2.19 116.66 111.48 1yi2 n ARG 28 Ca 0.00 0.30 0.13 0.00 -1.00 0.00 0.00 57.85 57.29 1yi2 n ARG 28 Cb 0.35 -1.73 0.52 0.00 -1.05 0.00 0.00 32.46 30.54 1yi2 n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1yi2 n ALA 29 N -1.68 2.66 0.14 2.89 0.00 -0.46 -3.41 120.51 120.64 1yi2 n ALA 29 Ca 0.04 -0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1yi2 n ALA 29 Cb 0.26 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.36 1yi2 n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1yi2 n VAL 30 N -1.51 0.06 -1.41 0.00 0.31 -0.93 -4.25 118.33 110.61 1yi2 n VAL 30 Ca 0.07 -0.53 -0.38 0.00 -0.01 0.00 0.00 64.34 63.49 1yi2 n VAL 30 Cb 0.34 1.04 0.04 0.00 -0.91 0.00 0.00 33.84 34.36 1yi2 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1yi2 n GLU 31 N 0.19 0.44 -4.88 5.55 4.07 -1.15 -4.98 120.64 119.87 1yi2 n GLU 31 Ca 0.02 0.18 -0.33 0.00 -0.06 0.00 0.00 57.16 56.98 1yi2 n GLU 31 Cb 0.11 -1.70 -0.16 0.00 -0.06 0.00 0.00 31.44 29.63 1yi2 n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1yi2 s GLU 32 N -2.21 3.17 0.26 5.31 0.41 -1.26 -4.84 118.70 119.54 1yi2 s GLU 32 Ca 0.67 -0.80 0.09 0.00 -0.41 0.00 0.00 54.97 54.53 1yi2 s GLU 32 Cb -0.42 -2.47 -0.04 0.00 -1.78 0.00 0.00 34.13 29.42 1yi2 s GLU 32 CO 0.56 0.13 -0.01 -0.06 -0.49 0.00 0.00 175.26 175.39 1yi2 s PHE 33 N 0.51 2.70 0.08 1.61 0.40 -1.26 -5.13 117.98 116.89 1yi2 s PHE 33 Ca -0.12 -0.22 0.07 0.00 -0.60 0.00 0.00 56.93 56.06 1yi2 s PHE 33 Cb -0.17 -1.21 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 1yi2 s PHE 33 CO 0.05 0.61 -0.12 -0.51 0.70 0.00 0.00 175.22 175.94 1yi2 s ASP 34 N -3.60 4.23 0.24 1.36 1.01 -1.26 -5.06 116.67 113.59 1yi2 s ASP 34 Ca 0.31 -0.38 -0.30 0.00 0.71 0.00 0.00 52.55 52.89 1yi2 s ASP 34 Cb -0.07 -0.78 -0.15 0.00 1.01 0.00 0.00 42.92 42.93 1yi2 s ASP 34 CO 0.20 0.21 1.06 0.47 0.21 0.00 0.00 175.17 177.32 1yi2 n ASP 35 N 1.03 1.29 0.00 0.27 9.92 -1.26 -0.90 116.55 126.91 1yi2 n ASP 35 Ca -0.15 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.28 1yi2 n ASP 35 Cb 0.52 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 1yi2 n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1yi2 n GLY 36 N 1.57 3.32 3.75 0.44 0.00 0.21 -4.96 105.19 109.52 1yi2 n GLY 36 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1yi2 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yi2 s GLU 37 N -0.65 4.40 -0.04 1.61 2.02 -0.07 -4.72 118.70 121.25 1yi2 s GLU 37 Ca 0.00 2.10 -0.27 0.00 0.02 0.00 0.00 54.97 56.82 1yi2 s GLU 37 Cb 0.00 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 1yi2 s GLU 37 CO 0.00 -0.19 0.84 0.15 0.02 0.00 0.00 175.26 176.08 1yi2 s LYS 38 N -0.81 4.49 0.03 1.61 -0.14 -1.26 -1.35 119.74 122.31 1yi2 s LYS 38 Ca 0.53 1.15 0.04 0.00 -1.36 0.00 0.00 55.97 56.33 1yi2 s LYS 38 Cb -0.37 -3.46 -0.02 0.00 -1.68 0.00 0.00 37.83 32.30 1yi2 s LYS 38 CO 0.44 -0.01 -0.12 0.14 -0.76 0.00 0.00 175.35 175.03 1yi2 s VAL 39 N 0.98 0.97 -0.03 3.17 -7.23 -0.76 -1.59 120.40 115.91 1yi2 s VAL 39 Ca 0.45 -0.87 -0.19 0.00 -1.81 0.00 0.00 61.98 59.55 1yi2 s VAL 39 Cb -0.19 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.82 1yi2 s VAL 39 CO 0.23 0.01 0.54 -1.00 -0.31 0.00 0.00 175.10 174.57 1yi2 s HIS 40 N -0.76 3.65 -0.27 2.82 3.76 0.53 -1.20 115.29 123.82 1yi2 s HIS 40 Ca 0.01 1.10 -0.12 0.00 -0.15 0.00 0.00 55.06 55.90 1yi2 s HIS 40 Cb -0.07 -2.55 -0.05 0.00 1.11 0.00 0.00 32.58 31.03 1yi2 s HIS 40 CO 0.01 0.36 0.22 -0.51 -0.85 0.00 0.00 174.74 173.97 1yi2 s LEU 41 N -0.16 4.05 -0.27 0.89 1.02 0.01 -2.41 118.68 121.81 1yi2 s LEU 41 Ca 0.29 0.08 -0.03 0.00 0.02 0.00 0.00 54.13 54.49 1yi2 s LEU 41 Cb -0.17 -2.18 0.15 0.00 0.02 0.00 0.00 46.19 44.01 1yi2 s LEU 41 CO 0.15 -0.05 0.50 -0.75 0.02 0.00 0.00 176.35 176.22 1yi2 s LYS 42 N 1.65 0.46 0.33 1.70 2.47 -0.68 -0.81 119.74 124.86 1yi2 s LYS 42 Ca 0.09 0.86 -0.29 0.00 -1.56 0.00 0.00 55.97 55.07 1yi2 s LYS 42 Cb -0.15 0.15 -0.11 0.00 -1.46 0.00 0.00 37.83 36.26 1yi2 s LYS 42 CO 0.09 -0.56 1.55 0.42 0.16 0.00 0.00 175.35 177.01 1yi2 s ILE 43 N 2.72 2.05 -0.34 5.43 1.01 -1.26 -4.51 121.20 126.30 1yi2 s ILE 43 Ca 0.14 0.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.66 1yi2 s ILE 43 Cb -0.15 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 1yi2 s ILE 43 CO -0.18 0.01 0.48 -0.62 0.00 0.00 0.00 174.94 174.63 1yi2 s ASP 44 N 0.21 6.29 0.50 3.58 -1.08 -1.26 -4.96 116.67 119.96 1yi2 s ASP 44 Ca 0.59 -0.04 0.32 0.00 -0.52 0.00 0.00 52.55 52.89 1yi2 s ASP 44 Cb -0.47 -2.25 1.43 0.00 -1.46 0.00 0.00 42.92 40.17 1yi2 s ASP 44 CO 0.55 -0.43 1.79 -0.65 0.52 0.00 0.00 175.17 176.94 1yi2 h PRO 45 N 8.43 0.10 0.00 4.34 0.11 -1.89 -1.34 132.00 141.76 1yi2 h PRO 45 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1yi2 h PRO 45 Cb 1.13 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1yi2 h PRO 45 CO 0.75 0.07 -0.35 0.77 -0.21 0.00 0.00 178.00 179.02 1yi2 h SER 46 N 0.10 0.00 -3.41 -2.05 0.02 -1.91 -3.44 113.55 102.87 1yi2 h SER 46 Ca 0.58 -0.10 -0.72 0.00 -0.84 0.00 0.00 61.79 60.71 1yi2 h SER 46 Cb 2.08 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 64.36 1yi2 h SER 46 CO -0.10 0.05 -0.43 -0.69 -1.14 0.00 0.00 176.83 174.53 1yi2 s VAL 47 N -3.16 4.53 0.11 2.27 1.01 -0.50 -4.78 120.40 119.88 1yi2 s VAL 47 Ca 0.08 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 60.47 1yi2 s VAL 47 Cb 0.12 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 1yi2 s VAL 47 CO 0.67 -0.53 1.62 -0.65 0.00 0.00 0.00 175.10 176.21 1yi2 h PRO 48 N 8.51 -0.55 -7.44 2.72 0.11 -1.84 -3.44 132.00 130.06 1yi2 h PRO 48 Ca -0.24 0.04 -0.46 0.00 0.11 0.00 0.00 66.00 65.44 1yi2 h PRO 48 Cb 1.09 0.13 0.09 0.00 0.11 0.00 0.00 31.00 32.42 1yi2 h PRO 48 CO 0.79 -0.37 0.30 -0.80 -0.21 0.00 0.00 178.00 177.72 1yi2 s ASN 49 N -4.74 4.57 -0.62 -2.05 0.01 -1.26 -4.38 114.94 106.48 1yi2 s ASN 49 Ca -0.16 0.53 0.00 0.00 -0.71 0.00 0.00 52.86 52.52 1yi2 s ASN 49 Cb 0.07 -1.07 0.00 0.00 0.41 0.00 0.00 41.25 40.66 1yi2 s ASN 49 CO 0.64 -1.79 0.00 0.61 -1.51 0.00 0.00 177.10 175.05 1yi2 n GLY 50 N -3.11 0.74 3.87 0.66 0.00 -1.26 -4.89 105.19 101.20 1yi2 n GLY 50 Ca 0.09 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1yi2 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yi2 s ARG 51 N -2.05 1.35 0.37 1.61 0.52 -1.26 -2.30 118.95 117.19 1yi2 s ARG 51 Ca 0.00 0.03 0.04 0.00 -0.52 0.00 0.00 55.73 55.27 1yi2 s ARG 51 Cb 0.00 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 1yi2 s ARG 51 CO 0.00 -2.00 0.14 -0.59 0.02 0.00 0.00 175.30 172.87 1yi2 s PHE 52 N -3.56 1.76 0.03 -0.53 -0.12 -1.26 -4.79 117.98 109.51 1yi2 s PHE 52 Ca 0.65 -1.30 -0.30 0.00 -0.05 0.00 0.00 56.93 55.93 1yi2 s PHE 52 Cb -0.10 -1.07 -0.07 0.00 -0.63 0.00 0.00 43.02 41.14 1yi2 s PHE 52 CO 0.51 -0.36 1.64 -1.58 -0.05 0.00 0.00 175.22 175.39 1yi2 s HIS 53 N -3.33 2.31 0.54 3.49 5.65 -1.26 -4.84 115.29 117.85 1yi2 s HIS 53 Ca 0.29 0.30 0.42 0.00 0.25 0.00 0.00 55.06 56.32 1yi2 s HIS 53 Cb 0.04 -3.94 1.61 0.00 -1.18 0.00 0.00 32.58 29.11 1yi2 s HIS 53 CO 0.16 -3.81 1.69 -1.35 -0.65 0.00 0.00 174.74 170.78 1yi2 h PRO 54 N 8.66 0.02 -0.87 2.88 0.11 -1.99 0.32 132.00 141.14 1yi2 h PRO 54 Ca -0.42 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.90 1yi2 h PRO 54 Cb 1.20 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1yi2 h PRO 54 CO 0.93 0.01 0.59 -0.09 -0.21 0.00 0.00 178.00 179.23 1yi2 h ARG 55 N 0.02 0.30 -0.05 1.05 2.43 -1.88 -0.03 114.38 116.21 1yi2 h ARG 55 Ca 0.75 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.90 1yi2 h ARG 55 Cb 2.92 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 32.41 1yi2 h ARG 55 CO -0.05 0.20 0.00 1.19 -1.51 0.00 0.00 179.97 179.80 1yi2 n PHE 56 N -4.46 0.06 -1.73 2.20 3.72 0.10 -4.88 117.46 112.48 1yi2 n PHE 56 Ca 0.18 -0.03 -0.42 0.00 -0.05 0.00 0.00 57.45 57.13 1yi2 n PHE 56 Cb 0.73 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.25 1yi2 n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1yi2 n ASP 57 N -0.25 3.99 0.00 4.37 2.03 -0.03 -1.70 116.55 124.96 1yi2 n ASP 57 Ca 0.18 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.58 1yi2 n ASP 57 Cb 0.23 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.05 1yi2 n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yi2 n GLY 58 N 3.45 2.33 3.74 0.27 0.00 0.01 -5.03 105.19 109.96 1yi2 n GLY 58 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1yi2 n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yi2 s GLN 59 N -0.85 1.82 -0.28 1.61 -1.52 -0.69 -4.78 119.66 114.99 1yi2 s GLN 59 Ca 0.00 1.19 -0.01 0.00 -1.95 0.00 0.00 55.36 54.59 1yi2 s GLN 59 Cb 0.00 -1.85 0.09 0.00 -0.22 0.00 0.00 33.01 31.03 1yi2 s GLN 59 CO 0.00 -1.95 0.06 0.99 -0.25 0.00 0.00 175.29 174.14 1yi2 s THR 60 N -2.85 0.92 0.00 -0.19 2.01 -1.26 -0.81 115.64 113.46 1yi2 s THR 60 Ca 0.63 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1yi2 s THR 60 Cb -0.18 -1.58 0.00 0.00 0.01 0.00 0.00 72.50 70.75 1yi2 s THR 60 CO 0.57 -0.50 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 1yi2 n GLY 61 N 4.85 3.26 2.92 4.40 0.00 -0.34 -4.87 105.19 115.41 1yi2 n GLY 61 Ca -0.05 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.65 1yi2 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yi2 s THR 62 N 1.42 1.00 0.15 2.61 2.01 -0.39 -1.83 115.64 120.61 1yi2 s THR 62 Ca 0.00 -0.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.40 1yi2 s THR 62 Cb 0.00 -1.01 -0.10 0.00 0.01 0.00 0.00 72.50 71.40 1yi2 s THR 62 CO 0.00 0.36 1.67 -0.69 -0.69 0.00 0.00 174.62 175.27 1yi2 s VAL 63 N 1.55 2.55 -0.42 3.82 1.01 -0.45 -1.33 120.40 127.13 1yi2 s VAL 63 Ca 0.02 0.28 0.11 0.00 0.00 0.00 0.00 61.98 62.38 1yi2 s VAL 63 Cb -0.13 -3.18 0.36 0.00 0.00 0.00 0.00 36.38 33.43 1yi2 s VAL 63 CO -0.06 0.01 0.80 -0.62 0.00 0.00 0.00 175.10 175.23 1yi2 n GLU 64 N 4.62 1.54 0.00 2.72 -0.58 0.01 0.67 120.64 129.61 1yi2 n GLU 64 Ca 0.15 -3.73 0.00 0.00 -0.42 0.00 0.00 57.16 53.16 1yi2 n GLU 64 Cb 0.38 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 1yi2 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yi2 n GLY 65 N 0.13 0.47 3.33 0.62 0.00 -1.26 -4.79 105.19 103.69 1yi2 n GLY 65 Ca 0.26 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 1yi2 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yi2 s LYS 66 N -1.05 1.29 -0.22 1.61 -2.85 -1.26 -1.40 119.74 115.85 1yi2 s LYS 66 Ca 0.00 -1.47 -0.03 0.00 -1.00 0.00 0.00 55.97 53.47 1yi2 s LYS 66 Cb 0.00 0.34 0.07 0.00 -2.06 0.00 0.00 37.83 36.18 1yi2 s LYS 66 CO 0.00 -0.46 0.05 -1.14 0.10 0.00 0.00 175.35 173.90 1yi2 s GLN 67 N -4.10 0.63 5.92 1.78 0.74 -0.12 -4.83 119.66 119.68 1yi2 s GLN 67 Ca 0.32 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 55.17 1yi2 s GLN 67 Cb 0.04 -2.02 0.00 0.00 1.10 0.00 0.00 33.01 32.13 1yi2 s GLN 67 CO 0.10 -0.73 0.00 0.41 -0.55 0.00 0.00 175.29 174.51 1yi2 n GLY 68 N 5.03 1.85 0.11 2.59 0.00 -1.26 -2.27 105.19 111.24 1yi2 n GLY 68 Ca -0.07 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.53 1yi2 n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yi2 n ASP 69 N 4.00 0.84 -4.80 1.61 8.00 -1.26 -4.90 116.55 120.04 1yi2 n ASP 69 Ca 0.00 0.32 -0.32 0.00 0.71 0.00 0.00 54.79 55.51 1yi2 n ASP 69 Cb 0.00 0.46 0.05 0.00 -0.02 0.00 0.00 41.12 41.62 1yi2 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yi2 s ALA 70 N -3.37 2.54 0.17 2.24 0.00 -0.96 -4.76 121.76 117.62 1yi2 s ALA 70 Ca -0.01 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.24 1yi2 s ALA 70 Cb 0.10 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1yi2 s ALA 70 CO 0.79 -1.31 0.23 0.71 0.00 0.00 0.00 175.76 176.18 1yi2 s TYR 71 N -2.81 3.34 -0.36 0.00 1.51 0.25 -0.95 117.35 118.33 1yi2 s TYR 71 Ca 0.61 0.05 -0.08 0.00 -1.01 0.00 0.00 57.07 56.63 1yi2 s TYR 71 Cb -0.16 -1.59 0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1yi2 s TYR 71 CO 0.50 0.51 0.16 0.15 -1.11 0.00 0.00 175.55 175.77 1yi2 s LYS 72 N -3.28 2.67 -0.21 -0.62 1.02 -0.49 -0.38 119.74 118.45 1yi2 s LYS 72 Ca 0.33 -1.20 -0.06 0.00 0.02 0.00 0.00 55.97 55.07 1yi2 s LYS 72 Cb -0.10 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 1yi2 s LYS 72 CO 0.27 -0.73 0.02 0.08 -0.92 0.00 0.00 175.35 174.07 1yi2 s VAL 73 N 1.45 4.06 -0.07 3.17 1.01 0.13 -0.81 120.40 129.34 1yi2 s VAL 73 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 1yi2 s VAL 73 Cb -0.20 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1yi2 s VAL 73 CO 0.04 0.41 0.67 -1.81 0.00 0.00 0.00 175.10 174.41 1yi2 s ASP 74 N 1.15 6.95 0.33 3.32 1.01 -0.44 -0.04 116.67 128.95 1yi2 s ASP 74 Ca 0.03 1.15 0.04 0.00 0.71 0.00 0.00 52.55 54.48 1yi2 s ASP 74 Cb -0.14 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1yi2 s ASP 74 CO 0.02 -0.10 0.16 0.27 0.21 0.00 0.00 175.17 175.73 1yi2 s ILE 75 N 0.76 0.38 -0.21 0.77 -4.36 -0.03 -1.27 121.20 117.26 1yi2 s ILE 75 Ca 0.36 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.75 1yi2 s ILE 75 Cb -0.17 -2.49 0.05 0.00 1.25 0.00 0.00 42.46 41.10 1yi2 s ILE 75 CO 0.17 0.00 -0.03 -0.69 0.24 0.00 0.00 174.94 174.63 1yi2 s VAL 76 N -3.50 1.19 -0.48 8.37 1.01 -1.26 -1.13 120.40 124.60 1yi2 s VAL 76 Ca 0.34 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 1yi2 s VAL 76 Cb 0.04 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.97 1yi2 s VAL 76 CO 0.18 -0.06 0.86 -0.62 0.00 0.00 0.00 175.10 175.46 1yi2 s ASP 77 N 1.56 6.41 1.12 3.32 -1.08 0.19 -4.77 116.67 123.43 1yi2 s ASP 77 Ca -0.03 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 51.87 1yi2 s ASP 77 Cb -0.17 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1yi2 s ASP 77 CO -0.07 -1.04 0.00 0.61 0.52 0.00 0.00 175.17 175.19 1yi2 n GLY 78 N 5.01 0.47 0.06 2.66 0.00 -1.26 0.32 105.19 112.44 1yi2 n GLY 78 Ca 0.03 0.60 0.01 0.00 0.00 0.00 0.00 46.02 46.66 1yi2 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yi2 n GLY 79 N 0.00 -0.84 3.68 -0.02 0.00 -1.26 -5.02 105.19 101.72 1yi2 n GLY 79 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1yi2 n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yi2 s LYS 80 N -0.22 3.88 0.11 1.61 2.20 0.15 -5.08 119.74 122.39 1yi2 s LYS 80 Ca 0.02 -0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 1yi2 s LYS 80 Cb 0.01 -3.21 -0.06 0.00 -1.51 0.00 0.00 37.83 33.06 1yi2 s LYS 80 CO 0.02 0.37 1.10 -1.21 -0.36 0.00 0.00 175.35 175.26 1yi2 s GLU 81 N 0.12 4.55 0.05 4.03 2.02 -1.26 0.57 118.70 128.78 1yi2 s GLU 81 Ca 0.06 1.67 0.00 0.00 0.02 0.00 0.00 54.97 56.72 1yi2 s GLU 81 Cb -0.12 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 1yi2 s GLU 81 CO 0.00 -0.03 -0.04 0.15 0.02 0.00 0.00 175.26 175.36 1yi2 s LYS 82 N 0.28 0.56 -0.15 1.61 1.02 -0.28 -4.91 119.74 117.87 1yi2 s LYS 82 Ca 0.52 -1.02 0.01 0.00 0.02 0.00 0.00 55.97 55.50 1yi2 s LYS 82 Cb -0.28 0.05 -0.00 0.00 -0.52 0.00 0.00 37.83 37.08 1yi2 s LYS 82 CO 0.32 -0.06 -0.16 0.99 -0.92 0.00 0.00 175.35 175.51 1yi2 s THR 83 N -2.90 2.58 -0.14 2.17 2.01 -1.26 -0.85 115.64 117.25 1yi2 s THR 83 Ca -0.00 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 1yi2 s THR 83 Cb 0.01 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 1yi2 s THR 83 CO -0.05 0.52 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.69 1yi2 s ILE 84 N 0.74 3.52 -0.29 1.82 1.01 0.94 -4.91 121.20 124.04 1yi2 s ILE 84 Ca -0.07 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 1yi2 s ILE 84 Cb -0.16 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 1yi2 s ILE 84 CO 0.01 0.51 0.63 -0.63 0.00 0.00 0.00 174.94 175.46 1yi2 s ILE 85 N 0.26 4.96 -0.10 2.92 -1.09 -1.26 0.21 121.20 127.09 1yi2 s ILE 85 Ca -0.06 0.96 -0.18 0.00 -2.23 0.00 0.00 60.65 59.14 1yi2 s ILE 85 Cb -0.15 -3.97 0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1yi2 s ILE 85 CO 0.04 -0.07 0.44 0.54 -1.23 0.00 0.00 174.94 174.66 1yi2 s VAL 86 N 2.56 0.02 0.35 2.92 0.11 0.49 -4.61 120.40 122.25 1yi2 s VAL 86 Ca 0.25 -0.16 -0.10 0.00 -2.93 0.00 0.00 61.98 59.05 1yi2 s VAL 86 Cb -0.15 -0.69 -0.07 0.00 -1.53 0.00 0.00 36.38 33.94 1yi2 s VAL 86 CO 0.10 -0.09 0.70 0.42 -3.33 0.00 0.00 175.10 172.91 1yi2 s THR 87 N -0.49 4.84 0.34 5.04 -4.23 -0.97 0.85 115.64 121.02 1yi2 s THR 87 Ca -0.06 0.53 0.13 0.00 -1.18 0.00 0.00 61.69 61.11 1yi2 s THR 87 Cb -0.03 -3.70 0.34 0.00 1.34 0.00 0.00 72.50 70.44 1yi2 s THR 87 CO 0.03 -0.39 1.71 0.00 -0.54 0.00 0.00 174.62 175.43 1yi2 h ALA 88 N 1.61 1.96 -0.94 3.99 0.00 -1.85 -0.96 119.26 123.07 1yi2 h ALA 88 Ca -0.47 0.14 0.27 0.00 0.00 0.00 0.00 54.91 54.84 1yi2 h ALA 88 Cb 1.18 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1yi2 h ALA 88 CO 0.65 -0.47 0.92 0.00 0.00 0.00 0.00 179.25 180.35 1yi2 h ALA 89 N 1.75 2.80 -0.23 0.00 0.00 -1.73 0.62 119.26 122.46 1yi2 h ALA 89 Ca 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1yi2 h ALA 89 Cb 1.48 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1yi2 h ALA 89 CO -0.49 -1.40 0.00 0.72 0.00 0.00 0.00 179.25 178.08 1yi2 n HIS 90 N -3.61 0.73 -4.34 0.00 -0.00 -0.36 -4.57 115.22 103.06 1yi2 n HIS 90 Ca 0.20 -0.84 -0.23 0.00 -0.00 0.00 0.00 57.72 56.85 1yi2 n HIS 90 Cb 1.23 -0.25 -0.11 0.00 -0.00 0.00 0.00 29.99 30.85 1yi2 n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yi2 s LEU 91 N -2.59 2.42 -0.01 2.41 1.43 0.22 -1.69 118.68 120.87 1yi2 s LEU 91 Ca 0.38 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1yi2 s LEU 91 Cb 0.30 -0.89 -0.00 0.00 0.03 0.00 0.00 46.19 45.63 1yi2 s LEU 91 CO 0.09 0.00 0.07 -0.13 0.23 0.00 0.00 176.35 176.61 1yi2 s ARG 92 N -2.67 0.28 0.21 1.70 1.81 -1.01 -4.96 118.95 114.30 1yi2 s ARG 92 Ca 0.15 -0.24 -0.30 0.00 -1.72 0.00 0.00 55.73 53.63 1yi2 s ARG 92 Cb -0.07 0.11 -0.08 0.00 -0.45 0.00 0.00 34.95 34.47 1yi2 s ARG 92 CO 0.07 -0.05 1.11 1.03 -0.68 0.00 0.00 175.30 176.78 1yi2 s ARG 93 N -0.81 4.60 0.26 3.54 0.52 -1.26 -0.35 118.95 125.44 1yi2 s ARG 93 Ca -0.09 1.76 -0.30 0.00 -0.52 0.00 0.00 55.73 56.59 1yi2 s ARG 93 Cb -0.05 -3.25 -0.09 0.00 0.52 0.00 0.00 34.95 32.08 1yi2 s ARG 93 CO 0.00 0.10 1.15 -1.14 0.02 0.00 0.00 175.30 175.43 1yi2 s GLN 94 N -0.68 4.57 0.00 3.54 0.74 -0.62 -4.81 119.66 122.39 1yi2 s GLN 94 Ca 0.48 1.87 0.00 0.00 0.05 0.00 0.00 55.36 57.76 1yi2 s GLN 94 Cb -0.31 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 30.61 1yi2 s GLN 94 CO 0.37 0.08 0.00 0.39 -0.55 0.00 0.00 175.29 175.58