#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yi2 s SER 2 N 0.00 5.45 0.11 8.00 1.04 -1.26 -4.99 113.70 122.05 1yi2 s SER 2 Ca 0.00 0.13 -0.22 0.00 0.48 0.00 0.00 55.95 56.34 1yi2 s SER 2 Cb 0.00 -1.13 -0.09 0.00 0.10 0.00 0.00 66.02 64.90 1yi2 s SER 2 CO 0.00 -1.01 1.72 0.50 0.98 0.00 0.00 173.24 175.43 1yi2 h LYS 3 N 0.15 -0.02 -0.70 4.02 3.64 -2.07 -2.23 116.57 119.35 1yi2 h LYS 3 Ca -0.44 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.09 1yi2 h LYS 3 Cb 1.28 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.01 1yi2 h LYS 3 CO 0.54 -0.01 0.19 0.87 -2.27 0.00 0.00 179.45 178.78 1yi2 h LYS 4 N -0.02 0.30 0.00 1.90 1.57 -2.02 -0.24 116.57 118.07 1yi2 h LYS 4 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1yi2 h LYS 4 Cb 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1yi2 h LYS 4 CO -0.10 0.20 0.00 1.17 -0.57 0.00 0.00 179.45 180.15 1yi2 n LYS 5 N -5.11 0.14 -0.17 3.15 3.00 -0.85 -2.10 118.16 116.21 1yi2 n LYS 5 Ca 0.13 0.55 0.10 0.00 -0.00 0.00 0.00 58.31 59.09 1yi2 n LYS 5 Cb 0.41 -1.88 0.19 0.00 0.00 0.00 0.00 35.03 33.75 1yi2 n LYS 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1yi2 n ARG 6 N -2.16 2.33 0.10 1.64 1.74 -0.10 -4.57 116.66 115.63 1yi2 n ARG 6 Ca -0.00 -2.14 -0.05 0.00 -0.77 0.00 0.00 57.85 54.89 1yi2 n ARG 6 Cb 0.10 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.11 1yi2 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1yi2 h GLN 7 N 3.81 0.01 -6.19 5.56 1.08 -1.44 -3.44 115.11 114.51 1yi2 h GLN 7 Ca 0.00 -0.01 -0.63 0.00 -1.45 0.00 0.00 58.65 56.56 1yi2 h GLN 7 Cb 0.89 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.33 1yi2 h GLN 7 CO 0.00 0.82 1.19 0.54 -0.95 0.00 0.00 178.83 180.44 1yi2 n ARG 8 N -3.57 1.94 0.00 1.46 5.12 -1.26 -0.49 116.66 119.85 1yi2 n ARG 8 Ca -0.01 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 1yi2 n ARG 8 Cb 0.78 -2.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.42 1yi2 n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yi2 n GLY 9 N 4.92 1.69 0.09 -0.13 0.00 -1.26 -4.93 105.19 105.56 1yi2 n GLY 9 Ca 0.27 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.41 1yi2 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yi2 n SER 10 N 0.00 0.74 0.00 1.61 3.41 0.35 -4.94 113.62 114.79 1yi2 n SER 10 Ca 0.00 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1yi2 n SER 10 Cb 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1yi2 n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1yi2 n ARG 11 N -2.17 0.00 0.00 4.33 0.63 -1.26 -4.18 116.66 114.00 1yi2 n ARG 11 Ca 0.05 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.12 1yi2 n ARG 11 Cb 0.43 0.00 0.48 0.00 0.45 0.00 0.00 32.46 33.82 1yi2 n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1yi2 n THR 12 N 0.00 0.00 -4.20 5.15 -2.24 -1.26 -4.95 114.28 106.78 1yi2 n THR 12 Ca 0.00 -0.20 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 1yi2 n THR 12 Cb 0.00 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1yi2 n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1yi2 n HIS 13 N -0.16 -1.67 -0.99 4.78 8.25 -1.26 -1.25 115.22 122.91 1yi2 n HIS 13 Ca 0.17 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 1yi2 n HIS 13 Cb 0.35 -2.76 0.00 0.00 1.12 0.00 0.00 29.99 28.70 1yi2 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yi2 n GLY 14 N -1.31 0.54 0.40 -1.41 0.00 -1.26 -4.91 105.19 97.24 1yi2 n GLY 14 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 1yi2 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yi2 n GLY 15 N -2.57 -0.21 4.77 -0.02 0.00 -0.38 -5.04 105.19 101.74 1yi2 n GLY 15 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1yi2 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yi2 n GLY 16 N 1.21 0.44 3.64 -0.02 0.00 -1.26 -4.76 105.19 104.45 1yi2 n GLY 16 Ca 0.17 -1.19 -0.45 0.00 0.00 0.00 0.00 46.02 44.56 1yi2 n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yi2 n SER 17 N 2.41 2.13 0.00 1.61 2.88 -1.26 -4.80 113.62 116.59 1yi2 n SER 17 Ca 0.00 1.17 0.03 0.00 -1.33 0.00 0.00 58.87 58.74 1yi2 n SER 17 Cb 0.00 -1.37 0.18 0.00 -0.75 0.00 0.00 64.21 62.28 1yi2 n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yi2 n HIS 18 N 1.05 0.00 1.23 0.66 -0.00 -1.26 -0.80 115.22 116.10 1yi2 n HIS 18 Ca 0.10 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.94 1yi2 n HIS 18 Cb 0.31 -0.06 0.39 0.00 -0.00 0.00 0.00 29.99 30.64 1yi2 n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1yi2 n LYS 19 N -1.06 1.79 -0.02 -1.40 5.02 -1.26 -4.56 118.16 116.66 1yi2 n LYS 19 Ca 0.04 -1.17 -0.01 0.00 -2.02 0.00 0.00 58.31 55.15 1yi2 n LYS 19 Cb 0.03 -1.43 -0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1yi2 n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1yi2 h ASN 20 N 2.51 0.00 -0.22 4.39 2.35 -1.27 -3.43 115.58 119.91 1yi2 h ASN 20 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1yi2 h ASN 20 Cb 0.54 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.92 1yi2 h ASN 20 CO 0.00 0.24 1.74 0.54 -1.65 0.00 0.00 177.43 178.30 1yi2 n ARG 21 N -3.07 1.56 0.00 0.81 1.74 -1.26 -4.72 116.66 111.71 1yi2 n ARG 21 Ca -0.01 -2.14 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 1yi2 n ARG 21 Cb 0.06 -3.29 0.00 0.00 -1.02 0.00 0.00 32.46 28.21 1yi2 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yi2 n ARG 22 N 7.61 0.00 0.00 5.56 1.74 -1.26 -5.14 116.66 125.16 1yi2 n ARG 22 Ca 0.47 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1yi2 n ARG 22 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 1yi2 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yi2 n GLY 23 N 5.00 1.32 0.19 -0.13 0.00 -1.26 -4.93 105.19 105.38 1yi2 n GLY 23 Ca 0.00 -1.83 0.13 0.00 0.00 0.00 0.00 46.02 44.32 1yi2 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yi2 h ALA 24 N -1.33 1.00 -0.24 4.61 0.00 -1.99 -2.62 119.26 118.70 1yi2 h ALA 24 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1yi2 h ALA 24 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1yi2 h ALA 24 CO 0.00 0.00 -0.00 0.78 0.00 0.00 0.00 179.25 180.03 1yi2 h GLY 25 N 0.61 0.38 1.97 0.00 0.00 -1.92 -0.43 103.07 103.67 1yi2 h GLY 25 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1yi2 h GLY 25 CO 0.00 0.19 0.00 1.57 0.00 0.00 0.00 176.54 178.30 1yi2 n HIS 26 N -4.34 0.00 -0.02 5.60 -0.00 -0.99 -2.09 115.22 113.38 1yi2 n HIS 26 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.75 1yi2 n HIS 26 Cb 0.20 -0.48 0.06 0.00 -0.00 0.00 0.00 29.99 29.76 1yi2 n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1yi2 n ARG 27 N -1.48 2.32 -1.44 1.57 1.74 -0.28 -4.98 116.66 114.11 1yi2 n ARG 27 Ca 0.04 -1.56 -0.10 0.00 -0.77 0.00 0.00 57.85 55.46 1yi2 n ARG 27 Cb 0.16 -1.11 -0.04 0.00 -1.02 0.00 0.00 32.46 30.45 1yi2 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yi2 n GLY 28 N 0.00 0.93 0.00 -0.13 0.00 -0.89 -4.80 105.19 100.31 1yi2 n GLY 28 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1yi2 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yi2 n GLY 29 N -1.65 3.02 3.72 -0.02 0.00 -0.55 -4.58 105.19 105.13 1yi2 n GLY 29 Ca -0.10 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1yi2 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yi2 s ARG 30 N -3.25 4.28 6.51 1.61 6.06 -1.26 -4.59 118.95 128.32 1yi2 s ARG 30 Ca 0.00 2.21 0.00 0.00 -2.50 0.00 0.00 55.73 55.44 1yi2 s ARG 30 Cb 0.00 -3.19 0.00 0.00 0.06 0.00 0.00 34.95 31.82 1yi2 s ARG 30 CO 0.00 -0.47 0.00 0.41 -2.50 0.00 0.00 175.30 172.74 1yi2 n GLY 31 N 3.21 3.57 0.88 8.12 0.00 -1.26 -1.88 105.19 117.83 1yi2 n GLY 31 Ca 0.11 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.14 1yi2 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yi2 n ASP 32 N 5.15 2.35 -4.64 1.61 8.00 -1.26 -4.95 116.55 122.81 1yi2 n ASP 32 Ca 0.00 -2.26 -0.45 0.00 0.71 0.00 0.00 54.79 52.79 1yi2 n ASP 32 Cb 0.00 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.57 1yi2 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yi2 n ALA 33 N 0.20 0.49 -1.04 2.24 0.00 -0.79 -1.74 120.51 119.87 1yi2 n ALA 33 Ca 0.09 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.92 1yi2 n ALA 33 Cb 0.51 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.79 1yi2 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yi2 n GLY 34 N 1.57 0.50 0.00 0.00 0.00 -1.26 -4.76 105.19 101.23 1yi2 n GLY 34 Ca 0.10 -0.31 0.03 0.00 0.00 0.00 0.00 46.02 45.84 1yi2 n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1yi2 n ARG 35 N -2.47 0.09 0.00 1.61 -4.01 -0.71 -0.78 116.66 110.39 1yi2 n ARG 35 Ca -0.01 0.21 0.00 0.00 -1.04 0.00 0.00 57.85 57.00 1yi2 n ARG 35 Cb 0.11 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.03 1yi2 n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1yi2 n ASP 36 N -1.25 0.96 0.00 2.89 5.75 -1.26 -3.79 116.55 119.85 1yi2 n ASP 36 Ca 0.03 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 1yi2 n ASP 36 Cb 0.04 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1yi2 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1yi2 n LYS 37 N -0.02 0.00 0.22 0.11 4.76 0.04 -4.82 118.16 118.45 1yi2 n LYS 37 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 1yi2 n LYS 37 Cb 0.03 0.00 0.45 0.00 -1.84 0.00 0.00 35.03 33.68 1yi2 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1yi2 h HIS 38 N 0.00 0.00 -0.40 2.13 2.07 -1.92 -3.28 115.15 113.75 1yi2 h HIS 38 Ca 0.00 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.22 1yi2 h HIS 38 Cb 0.00 0.00 -0.30 0.00 2.57 0.00 0.00 27.41 29.68 1yi2 h HIS 38 CO 0.00 0.00 -0.81 0.39 -3.07 0.00 0.00 177.93 174.44 1yi2 n GLU 39 N -2.89 2.31 0.14 5.12 1.02 -0.47 -4.82 120.64 121.05 1yi2 n GLU 39 Ca 0.03 -3.57 0.03 0.00 -0.02 0.00 0.00 57.16 53.63 1yi2 n GLU 39 Cb 0.39 -1.72 0.41 0.00 -0.02 0.00 0.00 31.44 30.50 1yi2 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1yi2 h PHE 40 N 1.80 0.18 -1.44 -0.32 -5.15 -1.62 -3.40 116.94 106.98 1yi2 h PHE 40 Ca 0.11 -0.02 -0.72 0.00 -0.20 0.00 0.00 57.97 57.13 1yi2 h PHE 40 Cb 1.38 -0.05 0.05 0.00 0.22 0.00 0.00 35.95 37.55 1yi2 h PHE 40 CO 0.69 0.34 0.38 0.72 -2.00 0.00 0.00 178.31 178.43 1yi2 n HIS 41 N -4.27 1.30 -2.35 6.09 -0.00 -1.26 -2.12 115.22 112.62 1yi2 n HIS 41 Ca -0.01 0.77 -0.15 0.00 -0.00 0.00 0.00 57.72 58.33 1yi2 n HIS 41 Cb 0.28 -2.27 -0.00 0.00 -0.00 0.00 0.00 29.99 28.00 1yi2 n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1yi2 n ASN 42 N 2.48 -4.61 -4.38 0.41 5.03 -1.26 -5.02 115.26 107.91 1yi2 n ASN 42 Ca 0.20 -0.04 -0.30 0.00 0.87 0.00 0.00 54.58 55.31 1yi2 n ASN 42 Cb 0.14 -3.71 -0.14 0.00 -1.02 0.00 0.00 39.78 35.05 1yi2 n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1yi2 s HIS 43 N -2.78 2.38 0.38 3.10 3.76 -0.90 -5.10 115.29 116.13 1yi2 s HIS 43 Ca 0.03 -0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 54.31 1yi2 s HIS 43 Cb -0.01 -1.39 -0.09 0.00 1.11 0.00 0.00 32.58 32.20 1yi2 s HIS 43 CO 0.03 0.19 1.20 -1.21 -0.85 0.00 0.00 174.74 174.10 1yi2 s GLU 44 N -1.41 4.15 0.69 1.40 2.02 -1.26 -4.95 118.70 119.34 1yi2 s GLU 44 Ca 0.13 1.92 -0.17 0.00 0.02 0.00 0.00 54.97 56.88 1yi2 s GLU 44 Cb -0.10 -2.79 -0.00 0.00 0.10 0.00 0.00 34.13 31.33 1yi2 s GLU 44 CO 0.03 -0.26 1.05 -0.35 0.02 0.00 0.00 175.26 175.75 1yi2 n PRO 45 N 0.30 0.69 -1.19 0.39 -0.04 -1.26 -4.98 135.00 128.90 1yi2 n PRO 45 Ca 0.03 0.29 -0.31 0.00 -0.04 0.00 0.00 63.50 63.47 1yi2 n PRO 45 Cb 0.45 -2.29 0.10 0.00 -0.04 0.00 0.00 33.50 31.72 1yi2 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yi2 s LEU 46 N -3.34 3.01 0.00 1.53 1.43 -1.26 -5.00 118.68 115.05 1yi2 s LEU 46 Ca 0.76 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 1yi2 s LEU 46 Cb -0.36 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.33 1yi2 s LEU 46 CO 0.47 -2.17 0.00 0.61 0.23 0.00 0.00 176.35 175.49 1yi2 n GLY 47 N -1.01 3.25 3.86 -3.19 0.00 -1.26 -5.09 105.19 101.74 1yi2 n GLY 47 Ca 0.09 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 1yi2 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yi2 s LYS 48 N -2.50 3.21 -0.17 1.61 1.02 -1.26 -5.11 119.74 116.54 1yi2 s LYS 48 Ca 0.00 -0.55 -0.06 0.00 0.02 0.00 0.00 55.97 55.38 1yi2 s LYS 48 Cb 0.00 -2.91 0.08 0.00 -0.52 0.00 0.00 37.83 34.48 1yi2 s LYS 48 CO 0.00 0.59 0.36 0.45 -0.92 0.00 0.00 175.35 175.82 1yi2 s SER 49 N -2.48 -0.01 0.40 2.83 0.15 -1.26 -5.14 113.70 108.20 1yi2 s SER 49 Ca 0.33 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1yi2 s SER 49 Cb -0.13 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 1yi2 s SER 49 CO 0.25 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1yi2 n GLY 50 N 5.36 -0.67 3.38 9.45 0.00 -1.26 -5.00 105.19 116.46 1yi2 n GLY 50 Ca -0.08 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 1yi2 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yi2 s PHE 51 N 0.00 0.29 0.08 1.61 -0.12 -1.26 -5.17 117.98 113.40 1yi2 s PHE 51 Ca 0.00 -0.65 0.10 0.00 -0.05 0.00 0.00 56.93 56.33 1yi2 s PHE 51 Cb 0.00 0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.40 1yi2 s PHE 51 CO 0.00 -0.77 -0.26 0.15 -0.05 0.00 0.00 175.22 174.29 1yi2 s LYS 52 N -3.95 1.64 0.13 1.99 1.02 -1.26 -5.13 119.74 114.18 1yi2 s LYS 52 Ca 0.16 -1.19 -0.09 0.00 0.02 0.00 0.00 55.97 54.86 1yi2 s LYS 52 Cb 0.02 -1.93 -0.06 0.00 -0.52 0.00 0.00 37.83 35.34 1yi2 s LYS 52 CO -0.00 0.48 0.43 1.03 -0.92 0.00 0.00 175.35 176.37 1yi2 s ARG 53 N -1.54 3.74 0.19 1.68 0.52 -1.26 -5.02 118.95 117.26 1yi2 s ARG 53 Ca 0.12 0.14 -0.33 0.00 -0.52 0.00 0.00 55.73 55.15 1yi2 s ARG 53 Cb -0.10 -2.90 -0.15 0.00 0.52 0.00 0.00 34.95 32.33 1yi2 s ARG 53 CO 0.03 0.49 1.37 -0.35 0.02 0.00 0.00 175.30 176.86 1yi2 n PRO 54 N 0.51 1.71 -0.37 3.54 -0.04 -1.26 -4.85 135.00 134.23 1yi2 n PRO 54 Ca -0.05 0.61 0.28 0.00 -0.04 0.00 0.00 63.50 64.31 1yi2 n PRO 54 Cb 0.52 -2.25 0.55 0.00 -0.04 0.00 0.00 33.50 32.28 1yi2 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1yi2 h GLN 55 N 4.37 0.24 -0.12 0.54 4.20 -1.97 0.08 115.11 122.45 1yi2 h GLN 55 Ca -0.45 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1yi2 h GLN 55 Cb 1.30 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1yi2 h GLN 55 CO 0.77 0.16 0.00 0.36 -0.67 0.00 0.00 178.83 179.45 1yi2 n LYS 56 N -4.85 1.39 -0.08 1.46 2.85 -1.26 -2.90 118.16 114.77 1yi2 n LYS 56 Ca 0.33 -0.60 0.04 0.00 -1.05 0.00 0.00 58.31 57.03 1yi2 n LYS 56 Cb 1.13 -1.27 0.08 0.00 -0.65 0.00 0.00 35.03 34.32 1yi2 n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1yi2 n VAL 57 N -0.13 0.55 -3.68 0.58 0.31 0.01 -4.97 118.33 111.01 1yi2 n VAL 57 Ca 0.12 -0.78 -0.37 0.00 -0.01 0.00 0.00 64.34 63.30 1yi2 n VAL 57 Cb 0.18 0.81 -0.07 0.00 -0.91 0.00 0.00 33.84 33.85 1yi2 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1yi2 s GLN 58 N -0.88 3.92 -0.07 5.55 -0.21 -1.14 -5.00 119.66 121.82 1yi2 s GLN 58 Ca 0.15 0.01 -0.01 0.00 0.02 0.00 0.00 55.36 55.53 1yi2 s GLN 58 Cb 0.09 -3.31 -0.03 0.00 1.00 0.00 0.00 33.01 30.75 1yi2 s GLN 58 CO 0.12 0.51 0.01 -1.21 -2.12 0.00 0.00 175.29 172.60 1yi2 s GLU 59 N -0.31 2.97 -0.25 2.91 2.02 -1.26 -5.06 118.70 119.73 1yi2 s GLU 59 Ca 0.15 -0.43 0.03 0.00 0.02 0.00 0.00 54.97 54.74 1yi2 s GLU 59 Cb -0.13 -2.79 0.06 0.00 0.10 0.00 0.00 34.13 31.36 1yi2 s GLU 59 CO 0.04 0.69 -0.12 -2.00 0.02 0.00 0.00 175.26 173.90 1yi2 s GLU 60 N -1.07 2.28 0.06 1.61 2.12 -1.26 -5.01 118.70 117.43 1yi2 s GLU 60 Ca 0.15 -1.27 -0.24 0.00 0.36 0.00 0.00 54.97 53.97 1yi2 s GLU 60 Cb -0.11 -2.83 -0.06 0.00 0.26 0.00 0.00 34.13 31.38 1yi2 s GLU 60 CO 0.05 -0.53 0.74 0.00 -0.54 0.00 0.00 175.26 174.98 1yi2 s ALA 61 N 1.14 3.40 -0.46 6.30 0.00 -1.26 -0.69 121.76 130.19 1yi2 s ALA 61 Ca -0.07 0.26 -0.21 0.00 0.00 0.00 0.00 51.96 51.94 1yi2 s ALA 61 Cb -0.19 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.01 1yi2 s ALA 61 CO -0.06 0.12 0.68 0.00 0.00 0.00 0.00 175.76 176.50 1yi2 s ALA 62 N -0.28 3.33 0.27 0.00 0.00 0.15 -4.93 121.76 120.30 1yi2 s ALA 62 Ca 0.37 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 51.09 1yi2 s ALA 62 Cb -0.21 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1yi2 s ALA 62 CO 0.23 -1.90 0.30 0.95 0.00 0.00 0.00 175.76 175.33 1yi2 s THR 63 N 2.93 4.58 -0.27 0.00 -4.23 -1.26 -0.79 115.64 116.60 1yi2 s THR 63 Ca 0.22 -1.21 -0.24 0.00 -1.18 0.00 0.00 61.69 59.29 1yi2 s THR 63 Cb -0.15 -3.54 0.09 0.00 1.34 0.00 0.00 72.50 70.24 1yi2 s THR 63 CO 0.18 -0.30 0.81 -0.51 -0.54 0.00 0.00 174.62 174.26 1yi2 s ILE 64 N -2.11 0.00 0.26 2.99 2.07 -0.96 -4.95 121.20 118.50 1yi2 s ILE 64 Ca 0.36 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.47 1yi2 s ILE 64 Cb -0.08 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.43 1yi2 s ILE 64 CO 0.27 0.00 0.63 -1.81 -1.91 0.00 0.00 174.94 172.13 1yi2 s ASP 65 N 0.49 6.73 0.35 4.50 1.01 -1.26 0.49 116.67 128.98 1yi2 s ASP 65 Ca -0.00 1.11 0.06 0.00 0.71 0.00 0.00 52.55 54.43 1yi2 s ASP 65 Cb -0.05 -2.30 0.74 0.00 1.01 0.00 0.00 42.92 42.32 1yi2 s ASP 65 CO -0.03 -0.10 1.91 -0.37 0.21 0.00 0.00 175.17 176.78 1yi2 h VAL 66 N 2.12 0.94 -0.95 -1.27 -1.51 -1.09 -1.17 116.25 113.32 1yi2 h VAL 66 Ca -0.47 -0.27 0.25 0.00 -1.23 0.00 0.00 66.70 64.98 1yi2 h VAL 66 Cb 1.18 0.10 -0.06 0.00 -2.13 0.00 0.00 31.29 30.37 1yi2 h VAL 66 CO 0.67 0.14 0.65 -0.09 -1.23 0.00 0.00 177.57 177.71 1yi2 h ARG 67 N 0.78 0.21 0.05 5.19 2.43 -1.56 0.85 114.38 122.33 1yi2 h ARG 67 Ca 0.39 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.39 1yi2 h ARG 67 Cb 0.47 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1yi2 h ARG 67 CO -0.16 0.14 -0.66 1.49 -1.51 0.00 0.00 179.97 179.27 1yi2 h GLU 68 N 0.22 0.35 0.85 0.20 4.81 -1.50 -2.24 114.58 117.27 1yi2 h GLU 68 Ca 0.49 -0.45 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1yi2 h GLU 68 Cb 1.53 0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.06 1yi2 h GLU 68 CO -0.12 1.15 -0.47 0.82 -0.73 0.00 0.00 179.01 179.65 1yi2 h ILE 69 N -0.24 0.00 -0.98 2.32 2.04 -1.25 -3.13 117.51 116.27 1yi2 h ILE 69 Ca -0.10 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.94 1yi2 h ILE 69 Cb 1.42 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.41 1yi2 h ILE 69 CO 0.13 0.00 0.61 -0.78 0.00 0.00 0.00 178.15 178.11 1yi2 h ASP 70 N -1.22 0.75 0.75 1.72 3.58 -0.99 -0.95 116.42 120.06 1yi2 h ASP 70 Ca -0.11 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1yi2 h ASP 70 Cb 0.96 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1yi2 h ASP 70 CO 0.15 0.31 0.00 -0.33 -2.88 0.00 0.00 179.24 176.49 1yi2 h GLU 71 N 0.75 0.00 0.00 0.28 5.08 -1.35 -3.19 114.58 116.16 1yi2 h GLU 71 Ca 0.54 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.84 1yi2 h GLU 71 Cb 0.84 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.97 1yi2 h GLU 71 CO -0.31 0.00 -0.66 0.09 -1.00 0.00 0.00 179.01 177.13 1yi2 n ASN 72 N -2.55 1.48 -0.00 1.42 3.02 -0.39 -4.83 115.26 113.41 1yi2 n ASN 72 Ca 0.01 -3.27 -0.12 0.00 -0.03 0.00 0.00 54.58 51.17 1yi2 n ASN 72 Cb 0.24 -0.45 -0.07 0.00 -0.61 0.00 0.00 39.78 38.88 1yi2 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1yi2 h VAL 73 N 2.93 1.16 -0.65 2.41 -1.51 -1.47 -0.92 116.25 118.20 1yi2 h VAL 73 Ca -0.07 -0.49 -0.06 0.00 -1.23 0.00 0.00 66.70 64.86 1yi2 h VAL 73 Cb 1.29 1.39 -0.03 0.00 -2.13 0.00 0.00 31.29 31.81 1yi2 h VAL 73 CO 0.03 0.14 0.19 0.71 -1.23 0.00 0.00 177.57 177.40 1yi2 h THR 74 N -0.10 1.25 0.00 7.19 1.35 -1.88 -2.21 112.91 118.51 1yi2 h THR 74 Ca 0.02 -0.87 -0.02 0.00 -0.55 0.00 0.00 66.41 64.99 1yi2 h THR 74 Cb 0.20 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1yi2 h THR 74 CO -0.00 0.33 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.45 1yi2 h LEU 75 N 0.97 0.00 -4.27 3.87 3.38 -1.85 -3.00 115.31 114.40 1yi2 h LEU 75 Ca 0.21 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.74 1yi2 h LEU 75 Cb 0.30 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.89 1yi2 h LEU 75 CO -0.00 0.09 0.35 0.18 0.09 0.00 0.00 178.44 179.14 1yi2 n LEU 76 N -3.32 6.40 -0.18 1.67 4.77 -0.37 -4.67 117.00 121.31 1yi2 n LEU 76 Ca -0.01 -3.85 0.29 0.00 -0.03 0.00 0.00 56.01 52.41 1yi2 n LEU 76 Cb 0.28 -1.21 0.73 0.00 -2.33 0.00 0.00 43.42 40.89 1yi2 n LEU 76 CO 0.28 1.62 1.27 0.00 -1.33 0.00 0.00 177.39 179.23 1yi2 h ALA 77 N 2.67 2.85 -0.06 -1.18 0.00 -1.69 -1.48 119.26 120.36 1yi2 h ALA 77 Ca 0.36 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1yi2 h ALA 77 Cb 0.81 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1yi2 h ALA 77 CO 0.82 -1.13 0.05 0.00 0.00 0.00 0.00 179.25 178.99 1yi2 n ALA 78 N -2.70 3.40 -3.68 0.00 0.00 -1.26 -4.74 120.51 111.53 1yi2 n ALA 78 Ca 0.19 -0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1yi2 n ALA 78 Cb 0.98 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.28 1yi2 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yi2 s ASP 79 N 1.29 -0.31 0.00 0.00 1.01 -0.56 -5.13 116.67 112.96 1yi2 s ASP 79 Ca 0.04 0.86 0.00 0.00 0.71 0.00 0.00 52.55 54.16 1yi2 s ASP 79 Cb 0.03 0.91 0.00 0.00 1.01 0.00 0.00 42.92 44.87 1yi2 s ASP 79 CO 0.00 -0.21 0.00 0.47 0.21 0.00 0.00 175.17 175.65 1yi2 n ASP 80 N 4.74 0.00 -4.17 0.27 9.92 -1.25 -4.80 116.55 121.27 1yi2 n ASP 80 Ca -0.17 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.78 1yi2 n ASP 80 Cb 0.53 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.84 1yi2 n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1yi2 s VAL 81 N 0.00 1.93 0.00 2.53 1.01 -1.26 -2.22 120.40 122.39 1yi2 s VAL 81 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1yi2 s VAL 81 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1yi2 s VAL 81 CO 0.00 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.63 1yi2 n ALA 82 N 3.86 0.00 0.21 5.51 0.00 -1.26 -4.92 120.51 123.91 1yi2 n ALA 82 Ca -0.20 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.28 1yi2 n ALA 82 Cb 0.52 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.19 1yi2 n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1yi2 h GLU 83 N 0.00 0.00 -6.24 0.00 4.11 -2.00 -3.49 114.58 106.96 1yi2 h GLU 83 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.96 1yi2 h GLU 83 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1yi2 h GLU 83 CO 0.00 0.00 -0.42 -0.06 0.07 0.00 0.00 179.01 178.60 1yi2 s PHE 89 N -3.40 3.15 -0.12 2.06 0.40 0.29 -5.07 117.98 115.29 1yi2 s PHE 89 Ca -0.01 -0.17 -0.00 0.00 -0.60 0.00 0.00 56.93 56.15 1yi2 s PHE 89 Cb 0.02 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 41.83 1yi2 s PHE 89 CO 0.07 0.23 -0.09 0.50 0.70 0.00 0.00 175.22 176.63 1yi2 s ARG 90 N -4.03 1.69 -0.01 0.44 3.52 -0.94 0.15 118.95 119.77 1yi2 s ARG 90 Ca 0.39 -0.32 0.01 0.00 -0.13 0.00 0.00 55.73 55.69 1yi2 s ARG 90 Cb -0.08 -1.69 -0.00 0.00 -1.56 0.00 0.00 34.95 31.61 1yi2 s ARG 90 CO 0.29 -0.26 -0.05 0.54 -0.81 0.00 0.00 175.30 175.01 1yi2 s VAL 91 N 1.65 0.39 -0.64 7.11 0.11 -0.02 -3.75 120.40 125.24 1yi2 s VAL 91 Ca 0.05 -0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 58.70 1yi2 s VAL 91 Cb -0.13 -0.34 0.10 0.00 -1.53 0.00 0.00 36.38 34.48 1yi2 s VAL 91 CO -0.09 0.11 0.83 -0.62 -3.33 0.00 0.00 175.10 172.01 1yi2 s ASP 92 N -0.05 6.22 0.31 3.54 -1.08 -1.26 -2.02 116.67 122.33 1yi2 s ASP 92 Ca 0.01 -1.33 0.04 0.00 -0.52 0.00 0.00 52.55 50.75 1yi2 s ASP 92 Cb -0.03 -2.35 0.82 0.00 -1.46 0.00 0.00 42.92 39.90 1yi2 s ASP 92 CO -0.00 -1.22 1.54 0.52 0.52 0.00 0.00 175.17 176.53 1yi2 n VAL 93 N 5.65 -0.41 -0.45 1.11 0.31 -0.51 -0.44 118.33 123.59 1yi2 n VAL 93 Ca -0.05 2.14 0.37 0.00 -0.01 0.00 0.00 64.34 66.79 1yi2 n VAL 93 Cb 0.44 -3.17 0.66 0.00 -0.91 0.00 0.00 33.84 30.86 1yi2 n VAL 93 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1yi2 h ARG 94 N 0.00 0.11 0.00 5.55 3.08 -1.92 1.08 114.38 122.28 1yi2 h ARG 94 Ca 0.62 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.67 1yi2 h ARG 94 Cb 1.34 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1yi2 h ARG 94 CO -0.91 0.07 -0.40 -0.25 -1.07 0.00 0.00 179.97 177.42 1yi2 n ASP 95 N -4.52 0.62 -0.09 7.04 8.00 0.41 -4.24 116.55 123.77 1yi2 n ASP 95 Ca 0.35 0.20 -0.15 0.00 0.71 0.00 0.00 54.79 55.90 1yi2 n ASP 95 Cb 1.40 -0.11 -0.08 0.00 -0.02 0.00 0.00 41.12 42.32 1yi2 n ASP 95 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1yi2 h VAL 96 N 0.00 0.57 -2.44 2.53 2.07 0.11 -3.47 116.25 115.62 1yi2 h VAL 96 Ca 0.00 -1.73 -0.54 0.00 0.82 0.00 0.00 66.70 65.26 1yi2 h VAL 96 Cb 0.68 1.37 0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1yi2 h VAL 96 CO 0.00 0.19 1.10 0.52 0.02 0.00 0.00 177.57 179.40 1yi2 n VAL 97 N -4.51 0.37 -1.81 2.57 0.31 -0.67 -4.99 118.33 109.60 1yi2 n VAL 97 Ca -0.22 -0.07 -0.31 0.00 -0.01 0.00 0.00 64.34 63.73 1yi2 n VAL 97 Cb 0.52 -2.08 0.03 0.00 -0.91 0.00 0.00 33.84 31.40 1yi2 n VAL 97 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1yi2 s GLU 98 N 2.77 3.27 -1.78 5.55 2.02 -1.26 -3.39 118.70 125.88 1yi2 s GLU 98 Ca 0.83 0.71 0.00 0.00 0.02 0.00 0.00 54.97 56.53 1yi2 s GLU 98 Cb -0.51 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 31.68 1yi2 s GLU 98 CO 0.38 -0.80 0.00 0.39 0.02 0.00 0.00 175.26 175.25 1yi2 n GLU 99 N -2.90 -1.21 -0.50 1.61 1.02 -1.26 -4.85 120.64 112.55 1yi2 n GLU 99 Ca 0.06 1.07 -0.04 0.00 -0.02 0.00 0.00 57.16 58.24 1yi2 n GLU 99 Cb 0.55 -5.33 0.14 0.00 -0.02 0.00 0.00 31.44 26.78 1yi2 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yi2 n ALA 100 N 0.97 3.57 -0.00 0.62 0.00 -1.22 -3.77 120.51 120.68 1yi2 n ALA 100 Ca -0.18 -1.14 -0.04 0.00 0.00 0.00 0.00 53.44 52.09 1yi2 n ALA 100 Cb 0.57 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 1yi2 n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yi2 n ASP 101 N 0.00 1.16 -0.12 0.00 8.00 -1.26 -4.55 116.55 119.78 1yi2 n ASP 101 Ca 0.21 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.88 1yi2 n ASP 101 Cb 0.88 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1yi2 n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1yi2 n ASP 102 N -3.67 0.18 -4.91 -2.24 5.75 -1.26 -4.72 116.55 105.68 1yi2 n ASP 102 Ca -0.07 -1.44 -0.33 0.00 -0.01 0.00 0.00 54.79 52.94 1yi2 n ASP 102 Cb 0.27 -0.09 -0.05 0.00 -1.03 0.00 0.00 41.12 40.22 1yi2 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yi2 s ALA 103 N -1.75 3.96 -0.34 2.12 0.00 -1.25 -4.94 121.76 119.56 1yi2 s ALA 103 Ca 0.00 -0.76 0.27 0.00 0.00 0.00 0.00 51.96 51.46 1yi2 s ALA 103 Cb 0.00 -1.89 0.79 0.00 0.00 0.00 0.00 23.12 22.03 1yi2 s ALA 103 CO 0.00 0.76 1.76 0.22 0.00 0.00 0.00 175.76 178.50 1yi2 h ASP 104 N 3.63 0.00 0.00 0.00 1.82 -1.19 -3.47 116.42 117.21 1yi2 h ASP 104 Ca -0.48 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1yi2 h ASP 104 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1yi2 h ASP 104 CO 0.71 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.34 1yi2 n TYR 105 N -2.85 0.00 -4.00 0.28 0.18 -1.25 -5.01 117.16 104.51 1yi2 n TYR 105 Ca 0.03 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.46 1yi2 n TYR 105 Cb 0.41 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.27 1yi2 n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1yi2 s VAL 106 N -2.00 4.62 -0.05 -3.48 1.01 -1.26 0.31 120.40 119.55 1yi2 s VAL 106 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1yi2 s VAL 106 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1yi2 s VAL 106 CO 0.00 0.44 -0.22 -0.75 0.00 0.00 0.00 175.10 174.56 1yi2 s LYS 107 N 0.63 2.24 -0.22 2.72 2.20 0.03 -1.90 119.74 125.44 1yi2 s LYS 107 Ca 0.03 -0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 54.71 1yi2 s LYS 107 Cb -0.13 -1.93 -0.05 0.00 -1.51 0.00 0.00 37.83 34.21 1yi2 s LYS 107 CO 0.02 0.34 0.25 0.08 -0.36 0.00 0.00 175.35 175.68 1yi2 s VAL 108 N -0.13 5.30 0.15 4.02 1.01 0.42 -2.26 120.40 128.91 1yi2 s VAL 108 Ca -0.03 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1yi2 s VAL 108 Cb -0.13 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1yi2 s VAL 108 CO 0.03 0.31 0.23 -0.76 0.00 0.00 0.00 175.10 174.91 1yi2 s LEU 109 N 1.12 4.15 -0.98 3.92 1.43 0.18 -2.73 118.68 125.77 1yi2 s LEU 109 Ca 0.12 0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1yi2 s LEU 109 Cb -0.14 -2.74 0.32 0.00 0.03 0.00 0.00 46.19 43.66 1yi2 s LEU 109 CO 0.06 0.06 1.62 0.61 0.23 0.00 0.00 176.35 178.93 1yi2 n GLY 110 N -0.43 5.82 3.55 -3.19 0.00 -1.26 -0.80 105.19 108.88 1yi2 n GLY 110 Ca -0.07 -2.63 -0.34 0.00 0.00 0.00 0.00 46.02 42.98 1yi2 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yi2 s ALA 111 N -3.83 3.14 0.00 4.61 0.00 -1.26 -4.68 121.76 119.75 1yi2 s ALA 111 Ca 0.38 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1yi2 s ALA 111 Cb 0.16 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1yi2 s ALA 111 CO -0.07 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.33 1yi2 n GLY 112 N 3.45 -1.73 3.94 0.00 0.00 -1.26 -1.93 105.19 107.65 1yi2 n GLY 112 Ca -0.17 -2.00 -0.19 0.00 0.00 0.00 0.00 46.02 43.66 1yi2 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yi2 s GLN 113 N 0.00 2.67 -0.22 1.61 -0.21 -1.26 -4.81 119.66 117.44 1yi2 s GLN 113 Ca 0.00 -1.40 -0.03 0.00 0.02 0.00 0.00 55.36 53.96 1yi2 s GLN 113 Cb 0.00 -2.55 0.07 0.00 1.00 0.00 0.00 33.01 31.53 1yi2 s GLN 113 CO 0.00 -0.22 0.05 0.08 -2.12 0.00 0.00 175.29 173.08 1yi2 s VAL 114 N -2.41 0.55 -0.51 1.09 1.01 -1.26 -4.23 120.40 114.63 1yi2 s VAL 114 Ca 0.51 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1yi2 s VAL 114 Cb -0.06 -1.14 0.49 0.00 0.00 0.00 0.00 36.38 35.66 1yi2 s VAL 114 CO 0.30 -0.33 1.76 0.54 0.00 0.00 0.00 175.10 177.37 1yi2 n ARG 115 N 5.03 2.76 -3.50 2.72 1.74 -1.26 -4.82 116.66 119.33 1yi2 n ARG 115 Ca -0.08 -3.46 -0.13 0.00 -0.77 0.00 0.00 57.85 53.42 1yi2 n ARG 115 Cb 0.46 -2.22 -0.03 0.00 -1.02 0.00 0.00 32.46 29.64 1yi2 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1yi2 s HIS 116 N -3.65 -0.46 -0.29 -1.55 3.76 -1.26 -5.11 115.29 106.74 1yi2 s HIS 116 Ca 0.58 0.34 -0.25 0.00 -0.15 0.00 0.00 55.06 55.58 1yi2 s HIS 116 Cb 0.47 0.44 0.00 0.00 1.11 0.00 0.00 32.58 34.61 1yi2 s HIS 116 CO 0.02 -0.76 0.88 -1.21 -0.85 0.00 0.00 174.74 172.82 1yi2 s GLU 117 N -3.28 4.06 -0.02 1.40 2.02 -1.26 -4.83 118.70 116.79 1yi2 s GLU 117 Ca -0.01 0.83 0.07 0.00 0.02 0.00 0.00 54.97 55.88 1yi2 s GLU 117 Cb -0.00 -3.71 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 1yi2 s GLU 117 CO -0.09 -0.69 -0.22 -0.51 0.02 0.00 0.00 175.26 173.77 1yi2 s LEU 118 N 3.10 2.04 -0.44 1.80 1.43 -1.26 0.11 118.68 125.45 1yi2 s LEU 118 Ca 0.37 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1yi2 s LEU 118 Cb -0.14 -1.16 0.12 0.00 0.03 0.00 0.00 46.19 45.04 1yi2 s LEU 118 CO 0.11 0.27 0.22 -0.89 0.23 0.00 0.00 176.35 176.29 1yi2 s THR 119 N -0.46 3.04 -0.16 5.49 2.01 0.12 -1.05 115.64 124.64 1yi2 s THR 119 Ca 0.07 -2.44 -0.08 0.00 0.31 0.00 0.00 61.69 59.55 1yi2 s THR 119 Cb -0.09 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1yi2 s THR 119 CO -0.00 -0.72 0.11 -0.76 -0.69 0.00 0.00 174.62 172.56 1yi2 s LEU 120 N 0.70 4.12 -0.21 4.42 1.43 -0.77 -0.84 118.68 127.54 1yi2 s LEU 120 Ca 0.11 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1yi2 s LEU 120 Cb -0.22 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1yi2 s LEU 120 CO -0.05 0.27 -0.13 -0.63 0.23 0.00 0.00 176.35 176.04 1yi2 s ILE 121 N -0.20 2.53 0.28 -0.59 1.01 -0.85 0.67 121.20 124.06 1yi2 s ILE 121 Ca 0.10 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 1yi2 s ILE 121 Cb -0.12 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 1yi2 s ILE 121 CO 0.01 0.43 0.43 0.00 0.00 0.00 0.00 174.94 175.81 1yi2 s ALA 122 N 1.34 0.39 -0.77 9.38 0.00 -0.84 -1.42 121.76 129.83 1yi2 s ALA 122 Ca 0.04 -1.27 0.26 0.00 0.00 0.00 0.00 51.96 50.99 1yi2 s ALA 122 Cb -0.14 1.15 0.78 0.00 0.00 0.00 0.00 23.12 24.90 1yi2 s ALA 122 CO -0.09 -0.79 1.70 -0.25 0.00 0.00 0.00 175.76 176.33 1yi2 n ASP 123 N -0.83 0.65 -3.59 0.00 8.00 -0.80 -1.31 116.55 118.67 1yi2 n ASP 123 Ca -0.00 0.45 -0.08 0.00 0.71 0.00 0.00 54.79 55.87 1yi2 n ASP 123 Cb 0.62 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 1yi2 n ASP 123 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1yi2 s ASP 124 N -4.17 -0.28 0.09 -2.24 2.15 -1.01 -4.11 116.67 107.11 1yi2 s ASP 124 Ca 0.10 0.26 -0.01 0.00 0.43 0.00 0.00 52.55 53.33 1yi2 s ASP 124 Cb 0.14 0.23 -0.04 0.00 -0.30 0.00 0.00 42.92 42.95 1yi2 s ASP 124 CO 0.61 -0.29 -0.00 -0.36 -0.17 0.00 0.00 175.17 174.96 1yi2 s PHE 125 N -1.36 0.70 0.20 -5.34 0.40 -1.26 -0.44 117.98 110.89 1yi2 s PHE 125 Ca 0.02 -1.11 0.05 0.00 -0.60 0.00 0.00 56.93 55.29 1yi2 s PHE 125 Cb -0.01 -0.45 -0.03 0.00 0.51 0.00 0.00 43.02 43.04 1yi2 s PHE 125 CO -0.02 -0.40 0.25 -1.54 0.70 0.00 0.00 175.22 174.21 1yi2 s SER 126 N -2.98 5.95 0.11 1.36 1.04 -1.11 -4.94 113.70 113.14 1yi2 s SER 126 Ca 0.14 -0.03 -0.28 0.00 0.48 0.00 0.00 55.95 56.26 1yi2 s SER 126 Cb 0.08 -1.67 -0.09 0.00 0.10 0.00 0.00 66.02 64.44 1yi2 s SER 126 CO -0.05 -0.00 1.47 -0.33 0.98 0.00 0.00 173.24 175.31 1yi2 h GLU 127 N 1.77 -0.30 -0.71 4.02 5.08 -2.00 0.18 114.58 122.62 1yi2 h GLU 127 Ca -0.49 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.09 1yi2 h GLU 127 Cb 1.22 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1yi2 h GLU 127 CO 0.63 -0.20 0.54 0.78 -1.00 0.00 0.00 179.01 179.76 1yi2 h GLY 128 N -0.31 0.00 0.83 -3.84 0.00 -1.95 0.75 103.07 98.54 1yi2 h GLY 128 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 1yi2 h GLY 128 CO -0.54 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 175.83 1yi2 h ALA 129 N 1.59 0.30 0.60 3.60 0.00 -0.96 -2.30 119.26 122.08 1yi2 h ALA 129 Ca 0.34 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1yi2 h ALA 129 Cb 1.41 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1yi2 h ALA 129 CO -0.00 0.20 -0.29 0.00 0.00 0.00 0.00 179.25 179.16 1yi2 h ARG 130 N 0.17 -0.77 -0.87 0.00 3.08 0.01 -2.04 114.38 113.95 1yi2 h ARG 130 Ca 0.04 0.05 0.22 0.00 0.07 0.00 0.00 59.98 60.36 1yi2 h ARG 130 Cb 0.69 0.18 -0.15 0.00 0.08 0.00 0.00 29.97 30.76 1yi2 h ARG 130 CO 0.04 -0.47 0.06 0.93 -1.07 0.00 0.00 179.97 179.46 1yi2 h GLU 131 N -1.11 0.08 -0.26 0.04 5.08 -1.02 0.29 114.58 117.68 1yi2 h GLU 131 Ca -0.08 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1yi2 h GLU 131 Cb 0.66 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1yi2 h GLU 131 CO 0.13 0.06 -0.23 0.87 -1.00 0.00 0.00 179.01 178.84 1yi2 h LYS 132 N 0.09 0.62 -0.17 2.33 1.57 -1.42 -0.86 116.57 118.73 1yi2 h LYS 132 Ca 0.51 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1yi2 h LYS 132 Cb 0.99 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1yi2 h LYS 132 CO -0.77 0.91 -0.26 0.28 -0.57 0.00 0.00 179.45 179.04 1yi2 h VAL 133 N 0.34 1.25 0.24 0.50 2.07 -0.35 -2.78 116.25 117.52 1yi2 h VAL 133 Ca 0.05 -1.20 -0.34 0.00 0.82 0.00 0.00 66.70 66.03 1yi2 h VAL 133 Cb 0.78 1.42 0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1yi2 h VAL 133 CO 0.06 0.37 -1.52 -0.33 0.02 0.00 0.00 177.57 176.17 1yi2 h GLU 134 N 0.28 0.51 0.00 1.57 5.08 -1.04 0.03 114.58 121.02 1yi2 h GLU 134 Ca 0.04 -0.87 0.00 0.00 -1.00 0.00 0.00 59.36 57.53 1yi2 h GLU 134 Cb 0.62 0.33 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1yi2 h GLU 134 CO 0.04 1.42 0.05 0.78 -1.00 0.00 0.00 179.01 180.30 1yi2 h GLY 135 N 0.22 0.00 -3.25 -3.84 0.00 -1.03 0.56 103.07 95.73 1yi2 h GLY 135 Ca -0.27 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1yi2 h GLY 135 CO 0.25 0.00 0.08 0.00 0.00 0.00 0.00 176.54 176.88 1yi2 n ALA 136 N -1.89 3.98 -2.96 3.60 0.00 -1.06 -4.90 120.51 117.27 1yi2 n ALA 136 Ca -0.02 -2.16 -0.12 0.00 0.00 0.00 0.00 53.44 51.14 1yi2 n ALA 136 Cb 0.10 -1.09 0.06 0.00 0.00 0.00 0.00 19.45 18.52 1yi2 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yi2 n GLY 137 N 0.15 -0.25 3.43 0.00 0.00 0.19 -4.02 105.19 104.70 1yi2 n GLY 137 Ca 0.31 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 46.15 1yi2 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yi2 s GLY 138 N -3.80 2.39 0.10 -0.02 0.00 -0.00 -4.45 107.32 101.54 1yi2 s GLY 138 Ca 0.08 -1.53 0.04 0.00 0.00 0.00 0.00 44.72 43.31 1yi2 s GLY 138 CO 0.53 -1.72 -0.11 -1.35 0.00 0.00 0.00 173.10 170.44 1yi2 s SER 139 N -3.51 1.63 -0.21 1.64 1.04 -0.21 -3.98 113.70 110.10 1yi2 s SER 139 Ca 0.30 -0.81 0.01 0.00 0.48 0.00 0.00 55.95 55.93 1yi2 s SER 139 Cb 0.04 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.19 1yi2 s SER 139 CO 0.17 -0.22 -0.10 -0.69 0.98 0.00 0.00 173.24 173.38 1yi2 s VAL 140 N -2.32 1.72 -0.29 5.02 1.01 -1.26 -1.84 120.40 122.44 1yi2 s VAL 140 Ca 0.06 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 1yi2 s VAL 140 Cb -0.04 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1yi2 s VAL 140 CO 0.01 0.11 0.17 -1.61 0.00 0.00 0.00 175.10 173.77 1yi2 s GLU 141 N 1.35 3.76 -0.14 2.72 2.02 0.21 -4.98 118.70 123.65 1yi2 s GLU 141 Ca -0.03 -0.44 -0.26 0.00 0.02 0.00 0.00 54.97 54.26 1yi2 s GLU 141 Cb -0.17 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.44 1yi2 s GLU 141 CO -0.08 -0.24 0.84 -1.17 0.02 0.00 0.00 175.26 174.63 1yi2 s LEU 142 N 1.71 4.22 1.27 1.80 2.96 -1.26 -1.98 118.68 127.39 1yi2 s LEU 142 Ca 0.06 1.24 -0.16 0.00 -0.22 0.00 0.00 54.13 55.05 1yi2 s LEU 142 Cb -0.16 -3.26 0.31 0.00 0.50 0.00 0.00 46.19 43.57 1yi2 s LEU 142 CO 0.09 -0.35 0.86 0.41 -1.32 0.00 0.00 176.35 176.04 1yi2 n THR 143 N 4.52 0.00 0.16 3.68 -1.04 -0.43 -4.80 114.28 116.38 1yi2 n THR 143 Ca 0.04 -0.35 0.01 0.00 -2.04 0.00 0.00 64.05 61.72 1yi2 n THR 143 Cb 0.49 -0.95 0.28 0.00 -1.82 0.00 0.00 70.33 68.33 1yi2 n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1yi2 h ASP 144 N -2.95 0.00 -0.19 8.00 3.32 -1.96 -1.63 116.42 121.00 1yi2 h ASP 144 Ca -0.56 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.44 1yi2 h ASP 144 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 1yi2 h ASP 144 CO 0.42 0.48 -0.06 0.25 -1.72 0.00 0.00 179.24 178.60 1yi2 h LEU 145 N 0.00 0.39 0.00 1.55 6.46 -1.94 -1.72 115.31 120.05 1yi2 h LEU 145 Ca -0.00 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 1yi2 h LEU 145 Cb 0.87 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 1yi2 h LEU 145 CO 0.06 0.69 0.09 0.61 -0.62 0.00 0.00 178.44 179.27 1yi2 n GLY 146 N -0.09 -0.31 1.48 3.75 0.00 -0.65 -2.88 105.19 106.48 1yi2 n GLY 146 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1yi2 n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yi2 n GLU 147 N -1.29 0.86 -0.57 1.61 1.02 -0.65 -3.74 120.64 117.88 1yi2 n GLU 147 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1yi2 n GLU 147 Cb 0.09 -1.07 0.21 0.00 -0.02 0.00 0.00 31.44 30.64 1yi2 n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1yi2 n GLU 148 N 1.40 1.95 -3.27 3.49 1.02 -1.14 -4.90 120.64 119.20 1yi2 n GLU 148 Ca 0.00 -3.03 -0.45 0.00 -0.02 0.00 0.00 57.16 53.67 1yi2 n GLU 148 Cb 0.43 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1yi2 n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1yi2 n ARG 149 N -1.04 3.60 0.00 3.49 1.74 -1.25 -5.23 116.66 117.97 1yi2 n ARG 149 Ca 0.25 -4.39 0.00 0.00 -0.77 0.00 0.00 57.85 52.94 1yi2 n ARG 149 Cb 0.88 -2.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 1yi2 n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05