#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yi2 s GLN 2 N 0.00 3.54 -0.20 3.17 -1.52 -1.26 -1.72 119.66 121.67 1yi2 s GLN 2 Ca 0.00 -0.28 -0.12 0.00 -1.95 0.00 0.00 55.36 53.01 1yi2 s GLN 2 Cb 0.00 -2.83 0.06 0.00 -0.22 0.00 0.00 33.01 30.02 1yi2 s GLN 2 CO 0.00 0.40 0.49 1.41 -0.25 0.00 0.00 175.29 177.34 1yi2 s MET 3 N -3.23 0.49 0.23 2.91 -2.45 0.33 -4.89 119.30 112.70 1yi2 s MET 3 Ca 0.39 0.89 -0.31 0.00 -1.25 0.00 0.00 55.69 55.41 1yi2 s MET 3 Cb -0.11 0.05 -0.12 0.00 1.25 0.00 0.00 34.83 35.90 1yi2 s MET 3 CO 0.28 -0.15 1.69 -1.25 1.05 0.00 0.00 175.02 176.64 1yi2 s PRO 4 N 1.34 4.12 0.38 4.11 0.04 -1.26 -0.33 135.00 143.40 1yi2 s PRO 4 Ca -0.09 2.60 0.08 0.00 0.04 0.00 0.00 61.00 63.63 1yi2 s PRO 4 Cb -0.07 -3.06 0.77 0.00 0.04 0.00 0.00 34.50 32.19 1yi2 s PRO 4 CO -0.13 -0.72 1.95 -0.09 0.04 0.00 0.00 177.00 178.05 1yi2 h ARG 5 N 6.24 0.39 -4.72 4.56 9.65 -1.81 -3.44 114.38 125.24 1yi2 h ARG 5 Ca -0.44 -0.07 -0.30 0.00 -1.10 0.00 0.00 59.98 58.07 1yi2 h ARG 5 Cb 1.21 -0.07 -0.21 0.00 -1.39 0.00 0.00 29.97 29.51 1yi2 h ARG 5 CO 0.91 0.41 -0.74 1.03 2.80 0.00 0.00 179.97 184.37 1yi2 s ARG 6 N -5.01 0.59 -0.22 0.20 0.52 -1.26 -0.49 118.95 113.28 1yi2 s ARG 6 Ca -0.07 -0.78 -0.33 0.00 -0.52 0.00 0.00 55.73 54.03 1yi2 s ARG 6 Cb 0.16 -0.41 0.15 0.00 0.52 0.00 0.00 34.95 35.38 1yi2 s ARG 6 CO 0.74 0.08 1.23 -0.59 0.02 0.00 0.00 175.30 176.78 1yi2 s PHE 7 N -1.32 -0.13 0.36 -0.53 -0.12 -0.90 -4.98 117.98 110.36 1yi2 s PHE 7 Ca -0.08 0.15 -0.25 0.00 -0.05 0.00 0.00 56.93 56.70 1yi2 s PHE 7 Cb -0.10 0.50 -0.10 0.00 -0.63 0.00 0.00 43.02 42.69 1yi2 s PHE 7 CO 0.01 -0.16 0.98 -0.80 -0.05 0.00 0.00 175.22 175.19 1yi2 s ASN 8 N -1.69 7.09 -0.08 1.98 0.01 -1.26 -1.06 114.94 119.93 1yi2 s ASN 8 Ca 0.08 1.88 -0.32 0.00 -0.71 0.00 0.00 52.86 53.79 1yi2 s ASN 8 Cb -0.01 -2.58 0.13 0.00 0.41 0.00 0.00 41.25 39.20 1yi2 s ASN 8 CO -0.05 -0.25 1.29 0.28 -1.51 0.00 0.00 177.10 176.86 1yi2 s THR 9 N -1.71 0.00 0.28 1.60 -1.32 -0.82 -4.92 115.64 108.74 1yi2 s THR 9 Ca 0.54 -0.14 -0.30 0.00 -1.21 0.00 0.00 61.69 60.59 1yi2 s THR 9 Cb -0.18 -1.70 -0.10 0.00 -1.51 0.00 0.00 72.50 69.00 1yi2 s THR 9 CO 0.23 0.00 1.46 -0.47 -2.21 0.00 0.00 174.62 173.63 1yi2 s TYR 10 N -2.37 2.93 -0.36 9.09 5.04 -1.26 -1.66 117.35 128.76 1yi2 s TYR 10 Ca 0.13 1.03 -0.06 0.00 -2.44 0.00 0.00 57.07 55.73 1yi2 s TYR 10 Cb 0.03 -3.87 0.06 0.00 0.35 0.00 0.00 41.96 38.53 1yi2 s TYR 10 CO -0.04 -2.79 0.13 0.00 -1.34 0.00 0.00 175.55 171.51 1yi2 h PRO 12 N 8.21 0.00 0.00 0.00 0.13 -1.94 0.35 132.00 138.75 1yi2 h PRO 12 Ca -0.22 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 1yi2 h PRO 12 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1yi2 h PRO 12 CO 0.63 0.00 -0.60 0.45 -0.23 0.00 0.00 178.00 178.25 1yi2 h HIS 13 N 0.00 0.00 -0.03 1.56 3.86 -1.95 -3.37 115.15 115.22 1yi2 h HIS 13 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1yi2 h HIS 13 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1yi2 h HIS 13 CO 0.00 0.26 -0.17 0.00 0.86 0.00 0.00 177.93 178.88 1yi2 n ASN 15 N -4.32 -2.50 -3.56 0.00 2.85 0.12 -5.02 115.26 102.83 1yi2 n ASN 15 Ca -0.02 -0.02 -0.16 0.00 -0.11 0.00 0.00 54.58 54.27 1yi2 n ASN 15 Cb 0.24 -1.76 -0.06 0.00 1.24 0.00 0.00 39.78 39.44 1yi2 n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1yi2 s GLU 16 N -4.43 0.94 0.30 1.20 -1.05 -1.21 -4.96 118.70 109.50 1yi2 s GLU 16 Ca 0.02 0.48 -0.30 0.00 -0.15 0.00 0.00 54.97 55.03 1yi2 s GLU 16 Cb -0.01 0.45 -0.12 0.00 -0.44 0.00 0.00 34.13 34.01 1yi2 s GLU 16 CO 0.02 -0.24 1.47 0.72 0.95 0.00 0.00 175.26 178.18 1yi2 n HIS 17 N 1.47 2.59 -3.66 4.83 8.25 -1.26 -3.23 115.22 124.20 1yi2 n HIS 17 Ca -0.17 0.39 -0.09 0.00 -0.26 0.00 0.00 57.72 57.59 1yi2 n HIS 17 Cb 0.56 -2.51 -0.02 0.00 1.12 0.00 0.00 29.99 29.14 1yi2 n HIS 17 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1yi2 s GLN 18 N -1.05 1.53 -0.03 -0.41 -0.21 -0.66 -4.92 119.66 113.91 1yi2 s GLN 18 Ca 0.61 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 54.93 1yi2 s GLN 18 Cb -0.55 0.59 -0.05 0.00 1.00 0.00 0.00 33.01 34.01 1yi2 s GLN 18 CO 0.54 -0.68 1.36 -2.00 -2.12 0.00 0.00 175.29 172.39 1yi2 s GLU 19 N -3.84 4.29 0.20 2.91 2.12 -1.26 -1.95 118.70 121.16 1yi2 s GLU 19 Ca 0.07 1.88 0.08 0.00 0.36 0.00 0.00 54.97 57.36 1yi2 s GLU 19 Cb -0.03 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 1yi2 s GLU 19 CO -0.02 -0.58 0.02 -1.01 -0.54 0.00 0.00 175.26 173.13 1yi2 s HIS 20 N 2.58 2.85 -0.07 5.30 3.76 -0.22 0.46 115.29 129.95 1yi2 s HIS 20 Ca 0.62 -0.15 0.03 0.00 -0.15 0.00 0.00 55.06 55.40 1yi2 s HIS 20 Cb -0.29 -1.34 -0.02 0.00 1.11 0.00 0.00 32.58 32.04 1yi2 s HIS 20 CO 0.24 0.54 -0.14 -2.00 -0.85 0.00 0.00 174.74 172.53 1yi2 s GLU 21 N -3.20 2.75 -0.22 1.40 2.12 0.60 -2.12 118.70 120.03 1yi2 s GLU 21 Ca 0.29 -0.70 -0.08 0.00 0.36 0.00 0.00 54.97 54.83 1yi2 s GLU 21 Cb -0.09 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 1yi2 s GLU 21 CO 0.20 0.50 0.09 0.08 -0.54 0.00 0.00 175.26 175.59 1yi2 s VAL 22 N -0.41 4.81 0.03 3.70 1.01 0.36 -1.03 120.40 128.88 1yi2 s VAL 22 Ca 0.05 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1yi2 s VAL 22 Cb -0.12 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1yi2 s VAL 22 CO 0.02 0.40 -0.14 -0.70 0.00 0.00 0.00 175.10 174.68 1yi2 s GLU 23 N 0.89 0.91 0.10 2.72 2.12 -0.79 -4.91 118.70 119.74 1yi2 s GLU 23 Ca 0.05 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 1yi2 s GLU 23 Cb -0.14 -0.91 -0.06 0.00 0.26 0.00 0.00 34.13 33.29 1yi2 s GLU 23 CO 0.03 0.23 1.03 0.15 -0.54 0.00 0.00 175.26 176.15 1yi2 s LYS 24 N -1.07 4.61 -0.27 4.30 1.02 -1.26 -0.50 119.74 126.57 1yi2 s LYS 24 Ca 0.01 1.55 -0.28 0.00 0.02 0.00 0.00 55.97 57.27 1yi2 s LYS 24 Cb -0.08 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 1yi2 s LYS 24 CO 0.01 0.06 2.04 0.08 -0.92 0.00 0.00 175.35 176.62 1yi2 s VAL 25 N 0.30 3.21 0.14 3.17 1.01 -0.91 -4.89 120.40 122.43 1yi2 s VAL 25 Ca 0.50 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 1yi2 s VAL 25 Cb -0.25 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 1yi2 s VAL 25 CO 0.31 -0.18 0.95 -0.13 0.00 0.00 0.00 175.10 176.05 1yi2 s ARG 26 N 6.07 4.73 0.17 2.72 0.52 -1.26 -4.99 118.95 126.92 1yi2 s ARG 26 Ca 0.92 1.45 -0.31 0.00 -0.52 0.00 0.00 55.73 57.27 1yi2 s ARG 26 Cb -0.28 -3.35 -0.10 0.00 0.52 0.00 0.00 34.95 31.73 1yi2 s ARG 26 CO 0.34 0.29 1.53 -1.12 0.02 0.00 0.00 175.30 176.36 1yi2 s SER 27 N -0.28 6.62 0.74 0.23 0.01 -1.26 -5.00 113.70 114.76 1yi2 s SER 27 Ca 0.45 2.60 -0.11 0.00 1.31 0.00 0.00 55.95 60.20 1yi2 s SER 27 Cb -0.24 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.43 1yi2 s SER 27 CO 0.30 -0.79 1.07 -0.83 0.41 0.00 0.00 173.24 173.41 1yi2 s GLY 28 N 1.01 1.65 0.06 3.44 0.00 -1.26 -5.03 107.32 107.19 1yi2 s GLY 28 Ca 0.68 -0.04 -0.10 0.00 0.00 0.00 0.00 44.72 45.26 1yi2 s GLY 28 CO 0.33 0.32 0.39 -1.60 0.00 0.00 0.00 173.10 172.53 1yi2 s ARG 29 N -5.09 3.76 0.42 2.90 3.52 -1.26 -5.08 118.95 118.12 1yi2 s ARG 29 Ca 0.59 0.17 -0.17 0.00 -0.13 0.00 0.00 55.73 56.19 1yi2 s ARG 29 Cb -0.14 -3.03 -0.09 0.00 -1.56 0.00 0.00 34.95 30.12 1yi2 s ARG 29 CO 0.55 0.59 0.89 -0.65 -0.81 0.00 0.00 175.30 175.86 1yi2 s GLN 30 N -1.79 4.06 0.05 5.12 -0.21 -1.26 -4.99 119.66 120.65 1yi2 s GLN 30 Ca 0.31 0.91 0.20 0.00 0.02 0.00 0.00 55.36 56.80 1yi2 s GLN 30 Cb -0.14 -2.25 -0.17 0.00 1.00 0.00 0.00 33.01 31.45 1yi2 s GLN 30 CO 0.17 -0.04 0.71 0.25 -2.12 0.00 0.00 175.29 174.25 1yi2 n THR 31 N -0.87 0.66 -1.90 -0.19 -2.24 -1.26 -4.97 114.28 103.51 1yi2 n THR 31 Ca 0.06 -0.61 -0.10 0.00 -2.27 0.00 0.00 64.05 61.13 1yi2 n THR 31 Cb 0.54 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 1yi2 n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yi2 n GLY 32 N 1.32 0.34 0.00 3.38 0.00 -1.26 -4.88 105.19 104.09 1yi2 n GLY 32 Ca -0.07 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1yi2 n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yi2 n MET 33 N -2.21 0.12 -1.28 1.61 2.81 -1.26 -4.83 117.12 112.08 1yi2 n MET 33 Ca -0.11 -0.64 -0.31 0.00 -1.81 0.00 0.00 57.70 54.83 1yi2 n MET 33 Cb 0.51 -0.88 0.10 0.00 -0.71 0.00 0.00 33.22 32.24 1yi2 n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1yi2 s LYS 34 N -0.22 1.96 0.25 0.03 3.01 -1.26 -4.83 119.74 118.67 1yi2 s LYS 34 Ca 0.00 1.01 -0.04 0.00 -1.01 0.00 0.00 55.97 55.93 1yi2 s LYS 34 Cb 0.00 -1.87 0.46 0.00 -1.01 0.00 0.00 37.83 35.40 1yi2 s LYS 34 CO 0.00 -1.81 1.74 2.35 0.51 0.00 0.00 175.35 178.15 1yi2 h TRP 35 N -1.24 0.59 -0.57 3.18 7.01 -2.00 0.95 115.95 123.87 1yi2 h TRP 35 Ca -0.46 0.03 0.04 0.00 2.11 0.00 0.00 58.89 60.62 1yi2 h TRP 35 Cb 1.25 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 28.13 1yi2 h TRP 35 CO 0.52 0.11 0.38 0.97 -2.79 0.00 0.00 178.44 177.64 1yi2 h ILE 36 N 0.51 1.05 -0.64 2.65 6.09 -1.99 -1.11 117.51 124.06 1yi2 h ILE 36 Ca 0.42 -0.22 -0.07 0.00 -1.37 0.00 0.00 64.86 63.62 1yi2 h ILE 36 Cb 0.60 0.36 -0.03 0.00 0.47 0.00 0.00 36.82 38.22 1yi2 h ILE 36 CO -0.37 0.12 0.12 0.44 -3.07 0.00 0.00 178.15 175.39 1yi2 h ASP 37 N 0.64 1.01 0.15 2.19 3.32 -1.16 -2.25 116.42 120.31 1yi2 h ASP 37 Ca 0.23 -0.25 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 1yi2 h ASP 37 Cb 0.13 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1yi2 h ASP 37 CO -0.06 1.00 -0.49 0.03 -1.72 0.00 0.00 179.24 178.00 1yi2 h ARG 38 N 0.97 0.40 -0.21 3.56 3.08 -0.92 -2.97 114.38 118.28 1yi2 h ARG 38 Ca 0.20 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1yi2 h ARG 38 Cb 0.41 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1yi2 h ARG 38 CO 0.01 0.80 -0.34 0.37 -1.07 0.00 0.00 179.97 179.73 1yi2 h GLN 39 N 0.32 0.45 0.07 0.04 4.15 -1.02 0.58 115.11 119.69 1yi2 h GLN 39 Ca 0.02 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 1yi2 h GLN 39 Cb 0.97 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.65 1yi2 h GLN 39 CO 0.08 0.74 -0.03 -0.09 -1.93 0.00 0.00 178.83 177.60 1yi2 h ARG 40 N 0.39 -0.08 -0.04 1.69 2.43 -1.28 0.25 114.38 117.73 1yi2 h ARG 40 Ca 0.04 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1yi2 h ARG 40 Cb 0.79 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1yi2 h ARG 40 CO 0.06 -0.03 0.01 0.93 -1.51 0.00 0.00 179.97 179.43 1yi2 h GLU 41 N -0.11 0.06 0.44 0.20 5.08 -1.37 -2.12 114.58 116.76 1yi2 h GLU 41 Ca -0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1yi2 h GLU 41 Cb 0.09 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1yi2 h GLU 41 CO 0.01 0.25 -0.26 -0.09 -1.00 0.00 0.00 179.01 177.92 1yi2 h ARG 42 N -0.14 -0.64 0.00 2.33 2.43 -0.76 -3.20 114.38 114.41 1yi2 h ARG 42 Ca 0.01 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1yi2 h ARG 42 Cb 0.21 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1yi2 h ARG 42 CO -0.00 -0.43 0.00 0.09 -1.51 0.00 0.00 179.97 178.12 1yi2 n ASN 43 N -5.39 0.00 -4.68 -3.80 4.13 0.85 -4.80 115.26 101.57 1yi2 n ASN 43 Ca -0.11 -0.05 -0.40 0.00 1.68 0.00 0.00 54.58 55.71 1yi2 n ASN 43 Cb 0.30 -0.31 -0.05 0.00 -1.54 0.00 0.00 39.78 38.17 1yi2 n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1yi2 s SER 44 N -2.63 6.78 0.00 6.41 0.01 -0.80 -4.95 113.70 118.53 1yi2 s SER 44 Ca 0.26 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.47 1yi2 s SER 44 Cb 0.19 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1yi2 s SER 44 CO 0.46 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.51 1yi2 n GLY 45 N 3.53 4.90 3.75 3.44 0.00 -1.26 -4.97 105.19 114.59 1yi2 n GLY 45 Ca -0.02 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 1yi2 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yi2 s ILE 46 N 1.81 3.65 0.00 -0.61 1.01 -1.26 -4.83 121.20 120.97 1yi2 s ILE 46 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.30 1yi2 s ILE 46 Cb 0.00 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1yi2 s ILE 46 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1yi2 n GLY 47 N 1.32 -1.46 3.70 6.18 0.00 -1.26 -4.85 105.19 108.82 1yi2 n GLY 47 Ca -0.01 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 1yi2 n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yi2 n ASN 48 N -0.14 2.27 -1.51 1.61 5.15 -1.26 -4.94 115.26 116.44 1yi2 n ASN 48 Ca 0.00 1.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.93 1yi2 n ASN 48 Cb 0.00 -1.51 0.24 0.00 -0.53 0.00 0.00 39.78 37.98 1yi2 n ASN 48 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1yi2 n ASP 49 N -0.47 3.67 0.00 1.20 8.00 -1.26 -4.82 116.55 122.88 1yi2 n ASP 49 Ca 0.09 -3.42 0.00 0.00 0.71 0.00 0.00 54.79 52.17 1yi2 n ASP 49 Cb 0.43 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1yi2 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yi2 n GLY 50 N -0.71 3.38 0.39 0.44 0.00 -1.26 -2.22 105.19 105.21 1yi2 n GLY 50 Ca 0.37 -0.19 0.17 0.00 0.00 0.00 0.00 46.02 46.37 1yi2 n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1yi2 h LYS 51 N 0.00 0.48 0.00 1.61 2.10 -1.99 0.62 116.57 119.38 1yi2 h LYS 51 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1yi2 h LYS 51 Cb 0.00 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.22 1yi2 h LYS 51 CO 0.00 0.31 0.00 1.19 -2.00 0.00 0.00 179.45 178.95 1yi2 n PHE 52 N -4.55 0.00 0.73 0.07 3.01 -0.94 -1.94 117.46 113.84 1yi2 n PHE 52 Ca 0.19 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.74 1yi2 n PHE 52 Cb 0.65 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.15 1yi2 n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1yi2 n SER 53 N -0.81 2.06 -4.85 4.37 7.64 0.21 -4.89 113.62 117.35 1yi2 n SER 53 Ca 0.09 -1.53 -0.29 0.00 1.01 0.00 0.00 58.87 58.15 1yi2 n SER 53 Cb 0.04 0.24 0.09 0.00 -1.01 0.00 0.00 64.21 63.57 1yi2 n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1yi2 s LYS 54 N -1.70 2.02 0.11 1.43 1.02 -0.82 -5.02 119.74 116.76 1yi2 s LYS 54 Ca 0.17 0.37 0.03 0.00 0.02 0.00 0.00 55.97 56.56 1yi2 s LYS 54 Cb 0.14 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.48 1yi2 s LYS 54 CO 0.32 -1.61 -0.08 0.14 -0.92 0.00 0.00 175.35 173.20 1yi2 s VAL 55 N -3.35 0.85 -0.17 3.17 -7.23 -1.26 -5.11 120.40 107.30 1yi2 s VAL 55 Ca 0.61 -1.84 -0.36 0.00 -1.81 0.00 0.00 61.98 58.58 1yi2 s VAL 55 Cb -0.13 -1.58 -0.17 0.00 0.56 0.00 0.00 36.38 35.07 1yi2 s VAL 55 CO 0.52 -0.74 1.08 -2.65 -0.31 0.00 0.00 175.10 173.00 1yi2 n PRO 56 N 0.16 0.00 0.00 4.82 -0.02 -1.26 -4.97 135.00 133.72 1yi2 n PRO 56 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1yi2 n PRO 56 Cb 0.60 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 1yi2 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yi2 n GLY 57 N 2.11 -1.25 0.00 -1.23 0.00 -1.26 -5.07 105.19 98.49 1yi2 n GLY 57 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1yi2 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yi2 n GLY 58 N 0.00 2.39 3.03 -0.02 0.00 -1.26 -5.18 105.19 104.16 1yi2 n GLY 58 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 1yi2 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yi2 s ASP 59 N 2.00 0.91 0.27 1.61 1.01 -1.26 -5.13 116.67 116.08 1yi2 s ASP 59 Ca 0.00 -0.34 -0.20 0.00 0.71 0.00 0.00 52.55 52.71 1yi2 s ASP 59 Cb 0.00 -0.04 -0.09 0.00 1.01 0.00 0.00 42.92 43.81 1yi2 s ASP 59 CO 0.00 -0.05 0.79 -0.75 0.21 0.00 0.00 175.17 175.37 1yi2 s LYS 60 N -0.89 4.27 0.42 8.23 2.47 -1.26 -4.96 119.74 128.03 1yi2 s LYS 60 Ca -0.03 0.95 0.21 0.00 -1.56 0.00 0.00 55.97 55.53 1yi2 s LYS 60 Cb -0.06 -2.74 1.16 0.00 -1.46 0.00 0.00 37.83 34.73 1yi2 s LYS 60 CO 0.00 0.30 1.78 -1.00 0.16 0.00 0.00 175.35 176.59 1yi2 h PRO 61 N 3.06 0.33 -3.70 4.03 0.13 -2.06 -3.40 132.00 130.40 1yi2 h PRO 61 Ca -0.48 -0.02 -0.23 0.00 -0.87 0.00 0.00 66.00 64.40 1yi2 h PRO 61 Cb 1.19 -0.08 -0.28 0.00 0.13 0.00 0.00 31.00 31.96 1yi2 h PRO 61 CO 0.65 0.22 -0.71 0.99 -0.23 0.00 0.00 178.00 178.92 1yi2 s THR 62 N -5.42 -0.01 0.28 1.56 2.01 -1.26 -5.02 115.64 107.79 1yi2 s THR 62 Ca -0.08 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1yi2 s THR 62 Cb 0.25 -0.02 -0.04 0.00 0.01 0.00 0.00 72.50 72.70 1yi2 s THR 62 CO 0.80 0.01 0.48 -0.54 -0.69 0.00 0.00 174.62 174.67 1yi2 s LYS 63 N 0.10 3.51 0.75 4.92 -0.14 -1.26 -4.87 119.74 122.75 1yi2 s LYS 63 Ca -0.01 -0.35 -0.10 0.00 -1.36 0.00 0.00 55.97 54.15 1yi2 s LYS 63 Cb -0.01 -2.74 0.06 0.00 -1.68 0.00 0.00 37.83 33.46 1yi2 s LYS 63 CO -0.00 0.27 1.10 0.15 -0.76 0.00 0.00 175.35 176.11 1yi2 s LYS 64 N -3.89 2.18 -0.14 1.68 1.02 -1.26 -1.96 119.74 117.37 1yi2 s LYS 64 Ca 0.39 0.03 -0.29 0.00 0.02 0.00 0.00 55.97 56.11 1yi2 s LYS 64 Cb -0.10 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 1yi2 s LYS 64 CO 0.32 -1.38 1.23 0.99 -0.92 0.00 0.00 175.35 175.60 1yi2 s THR 65 N -3.42 4.31 -0.73 2.17 2.01 -0.80 -4.82 115.64 114.35 1yi2 s THR 65 Ca 0.61 1.59 -0.03 0.00 0.31 0.00 0.00 61.69 64.17 1yi2 s THR 65 Cb -0.11 -4.03 0.18 0.00 0.01 0.00 0.00 72.50 68.56 1yi2 s THR 65 CO 0.48 -0.11 0.57 -0.62 -0.69 0.00 0.00 174.62 174.25 1yi2 s ASP 66 N 1.80 5.54 0.27 3.53 2.15 -1.26 -4.05 116.67 124.65 1yi2 s ASP 66 Ca 0.54 -3.17 0.10 0.00 0.43 0.00 0.00 52.55 50.45 1yi2 s ASP 66 Cb -0.22 -1.88 -0.05 0.00 -0.30 0.00 0.00 42.92 40.47 1yi2 s ASP 66 CO 0.16 -0.31 -0.16 -0.76 -0.17 0.00 0.00 175.17 173.93 1yi2 s LEU 67 N -0.54 2.59 -0.08 -1.34 1.43 -1.26 -2.14 118.68 117.34 1yi2 s LEU 67 Ca 0.21 -1.06 0.05 0.00 -1.03 0.00 0.00 54.13 52.30 1yi2 s LEU 67 Cb -0.15 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.12 1yi2 s LEU 67 CO -0.07 -0.08 -0.24 -0.54 0.23 0.00 0.00 176.35 175.66 1yi2 s LYS 68 N -3.57 2.79 -0.32 1.70 1.02 0.34 -4.54 119.74 117.16 1yi2 s LYS 68 Ca 0.28 -0.88 -0.05 0.00 0.02 0.00 0.00 55.97 55.34 1yi2 s LYS 68 Cb -0.02 -2.25 0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1yi2 s LYS 68 CO 0.13 0.30 0.07 0.71 -0.92 0.00 0.00 175.35 175.63 1yi2 s TYR 69 N 0.05 3.24 -0.27 3.18 1.51 -0.67 -1.88 117.35 122.51 1yi2 s TYR 69 Ca -0.10 -1.51 -0.10 0.00 -1.01 0.00 0.00 57.07 54.35 1yi2 s TYR 69 Cb -0.15 -2.22 -0.05 0.00 -0.11 0.00 0.00 41.96 39.43 1yi2 s TYR 69 CO 0.06 -0.74 0.17 1.03 -1.11 0.00 0.00 175.55 174.96 1yi2 s ARG 70 N 1.37 3.94 0.07 -0.62 0.52 -0.20 -1.21 118.95 122.81 1yi2 s ARG 70 Ca -0.02 -0.33 -0.31 0.00 -0.52 0.00 0.00 55.73 54.55 1yi2 s ARG 70 Cb -0.19 -3.58 -0.08 0.00 0.52 0.00 0.00 34.95 31.62 1yi2 s ARG 70 CO 0.01 -0.12 1.59 0.00 0.02 0.00 0.00 175.30 176.80 1yi2 h GLY 72 N 8.28 0.00 0.00 0.00 0.00 -0.32 -1.83 103.07 109.19 1yi2 h GLY 72 Ca -0.42 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.63 1yi2 h GLY 72 CO 0.92 0.00 -2.01 -2.21 0.00 0.00 0.00 176.54 173.24 1yi2 n GLU 73 N -2.38 0.42 0.00 4.80 2.13 -1.26 -4.62 120.64 119.72 1yi2 n GLU 73 Ca 0.01 0.13 0.12 0.00 0.66 0.00 0.00 57.16 58.07 1yi2 n GLU 73 Cb 0.19 -1.28 0.22 0.00 0.27 0.00 0.00 31.44 30.83 1yi2 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yi2 n GLY 75 N 1.42 0.81 3.86 0.00 0.00 -0.69 -5.00 105.19 105.60 1yi2 n GLY 75 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1yi2 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yi2 s LYS 76 N -0.34 3.86 0.41 1.61 1.02 -1.26 -4.69 119.74 120.34 1yi2 s LYS 76 Ca 0.00 0.61 0.08 0.00 0.02 0.00 0.00 55.97 56.68 1yi2 s LYS 76 Cb 0.00 -2.35 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 1yi2 s LYS 76 CO 0.00 -0.04 0.24 0.00 -0.92 0.00 0.00 175.35 174.63 1yi2 s ALA 77 N -2.34 3.72 0.08 5.17 0.00 -1.26 -1.00 121.76 126.13 1yi2 s ALA 77 Ca 0.53 -2.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.33 1yi2 s ALA 77 Cb -0.10 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.43 1yi2 s ALA 77 CO 0.28 -0.16 0.35 -3.38 0.00 0.00 0.00 175.76 172.85 1yi2 s HIS 78 N -2.54 -0.15 0.27 0.00 -3.43 -0.35 -4.97 115.29 104.11 1yi2 s HIS 78 Ca 0.43 -0.05 0.08 0.00 -0.80 0.00 0.00 55.06 54.72 1yi2 s HIS 78 Cb 0.01 0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 31.29 1yi2 s HIS 78 CO 0.24 -0.59 0.11 -0.51 -2.00 0.00 0.00 174.74 171.99 1yi2 s LEU 79 N -2.38 3.49 0.17 5.38 1.43 -1.26 -1.66 118.68 123.84 1yi2 s LEU 79 Ca -0.01 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1yi2 s LEU 79 Cb 0.01 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1yi2 s LEU 79 CO -0.07 -0.05 0.05 -0.13 0.23 0.00 0.00 176.35 176.38 1yi2 s ARG 80 N -3.77 1.08 0.69 1.70 0.52 -1.26 -5.02 118.95 112.88 1yi2 s ARG 80 Ca 0.33 -1.53 -0.16 0.00 -0.52 0.00 0.00 55.73 53.84 1yi2 s ARG 80 Cb -0.07 -0.02 0.02 0.00 0.52 0.00 0.00 34.95 35.40 1yi2 s ARG 80 CO 0.23 -0.22 1.22 -1.21 0.02 0.00 0.00 175.30 175.34 1yi2 s GLU 81 N -4.00 2.35 0.44 3.54 2.02 -1.26 -4.87 118.70 116.92 1yi2 s GLU 81 Ca 0.27 1.83 0.07 0.00 0.02 0.00 0.00 54.97 57.16 1yi2 s GLU 81 Cb 0.07 -1.85 -0.01 0.00 0.10 0.00 0.00 34.13 32.44 1yi2 s GLU 81 CO 0.05 -1.69 0.39 0.20 0.02 0.00 0.00 175.26 174.23 1yi2 s GLY 82 N -1.84 2.17 0.00 -1.39 0.00 -1.26 -4.97 107.32 100.04 1yi2 s GLY 82 Ca 0.76 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 43.68 1yi2 s GLY 82 CO 0.42 -1.75 -0.04 0.66 0.00 0.00 0.00 173.10 172.39 1yi2 s TRP 83 N -2.54 0.40 0.06 1.90 -2.14 -1.26 -4.68 118.94 110.67 1yi2 s TRP 83 Ca 0.46 -0.13 -0.36 0.00 2.66 0.00 0.00 56.10 58.73 1yi2 s TRP 83 Cb -0.03 -0.25 -0.15 0.00 -3.10 0.00 0.00 33.47 29.94 1yi2 s TRP 83 CO 0.27 -0.02 1.51 0.54 -2.66 0.00 0.00 176.95 176.59 1yi2 n ARG 84 N 2.77 1.59 -3.46 3.25 1.74 -1.26 -1.91 116.66 119.38 1yi2 n ARG 84 Ca -0.14 0.57 -0.09 0.00 -0.77 0.00 0.00 57.85 57.42 1yi2 n ARG 84 Cb 0.58 -2.28 -0.09 0.00 -1.02 0.00 0.00 32.46 29.65 1yi2 n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yi2 s ALA 85 N 1.28 -1.05 0.26 7.54 0.00 -0.83 -4.92 121.76 124.05 1yi2 s ALA 85 Ca 0.85 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.84 1yi2 s ALA 85 Cb -0.85 -1.53 0.55 0.00 0.00 0.00 0.00 23.12 21.30 1yi2 s ALA 85 CO 0.46 -1.09 1.73 0.78 0.00 0.00 0.00 175.76 177.65 1yi2 h GLY 86 N 8.19 1.33 -4.45 0.00 0.00 -1.93 -3.41 103.07 102.80 1yi2 h GLY 86 Ca -0.18 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1yi2 h GLY 86 CO 0.22 -0.11 -0.37 -1.60 0.00 0.00 0.00 176.54 174.68 1yi2 s ARG 87 N -5.97 0.61 -0.05 4.80 3.52 -1.26 -4.91 118.95 115.69 1yi2 s ARG 87 Ca -0.12 -0.37 -0.01 0.00 -0.13 0.00 0.00 55.73 55.10 1yi2 s ARG 87 Cb 0.22 0.26 0.03 0.00 -1.56 0.00 0.00 34.95 33.90 1yi2 s ARG 87 CO 0.77 -0.17 0.01 -1.17 -0.81 0.00 0.00 175.30 173.94 1yi2 s LEU 88 N -1.53 0.60 -0.06 -0.88 2.96 -1.26 -0.23 118.68 118.27 1yi2 s LEU 88 Ca -0.12 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1yi2 s LEU 88 Cb -0.05 -0.32 0.01 0.00 0.50 0.00 0.00 46.19 46.32 1yi2 s LEU 88 CO 0.01 -0.19 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.11 1yi2 s GLU 89 N 1.82 1.76 0.35 1.98 2.02 -0.70 -4.97 118.70 120.95 1yi2 s GLU 89 Ca 0.02 -0.46 -0.18 0.00 0.02 0.00 0.00 54.97 54.37 1yi2 s GLU 89 Cb -0.12 -1.46 -0.10 0.00 0.10 0.00 0.00 34.13 32.55 1yi2 s GLU 89 CO -0.04 0.07 0.81 -0.06 0.02 0.00 0.00 175.26 176.06 1yi2 s PHE 90 N 0.54 3.39 -0.44 1.61 0.40 -1.26 -0.52 117.98 121.70 1yi2 s PHE 90 Ca -0.13 1.37 -0.12 0.00 -0.60 0.00 0.00 56.93 57.46 1yi2 s PHE 90 Cb -0.15 -2.65 0.08 0.00 0.51 0.00 0.00 43.02 40.80 1yi2 s PHE 90 CO 0.04 0.06 0.31 -0.65 0.70 0.00 0.00 175.22 175.67 1yi2 s GLN 91 N -2.92 2.75 0.00 0.44 -0.21 0.56 -4.83 119.66 115.45 1yi2 s GLN 91 Ca 0.55 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.52 1yi2 s GLN 91 Cb -0.11 -3.91 0.00 0.00 1.00 0.00 0.00 33.01 29.99 1yi2 s GLN 91 CO 0.17 -0.98 0.00 0.39 -2.12 0.00 0.00 175.29 172.75