#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu4 n SER 2 N 0.00 1.90 -4.73 1.61 7.64 -1.26 -4.96 113.62 113.82 2yu4 n SER 2 Ca 0.00 0.39 -0.36 0.00 1.01 0.00 0.00 58.87 59.91 2yu4 n SER 2 Cb 0.00 -0.90 0.07 0.00 -1.01 0.00 0.00 64.21 62.37 2yu4 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yu4 s SER 3 N -7.13 4.63 0.25 6.43 0.15 -1.26 -5.04 113.70 111.72 2yu4 s SER 3 Ca -0.33 2.46 -0.06 0.00 0.70 0.00 0.00 55.95 58.71 2yu4 s SER 3 Cb 0.10 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2yu4 s SER 3 CO 0.54 -1.98 0.34 -0.83 1.20 0.00 0.00 173.24 172.51 2yu4 s GLY 4 N -1.69 1.08 0.26 9.45 0.00 -1.26 -5.18 107.32 109.98 2yu4 s GLY 4 Ca 0.78 -1.33 0.08 0.00 0.00 0.00 0.00 44.72 44.25 2yu4 s GLY 4 CO 0.40 -1.01 -0.10 -1.35 0.00 0.00 0.00 173.10 171.04 2yu4 s SER 5 N -3.12 2.82 -0.30 1.64 1.04 -1.26 -5.14 113.70 109.38 2yu4 s SER 5 Ca 0.31 -1.12 -0.05 0.00 0.48 0.00 0.00 55.95 55.57 2yu4 s SER 5 Cb 0.02 -0.18 0.16 0.00 0.10 0.00 0.00 66.02 66.13 2yu4 s SER 5 CO 0.12 -0.24 0.62 -0.44 0.98 0.00 0.00 173.24 174.28 2yu4 s SER 6 N -3.41 -1.24 1.34 7.02 0.01 -1.26 -5.12 113.70 111.04 2yu4 s SER 6 Ca 0.27 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.73 2yu4 s SER 6 Cb 0.01 2.21 0.00 0.00 0.21 0.00 0.00 66.02 68.45 2yu4 s SER 6 CO 0.11 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2yu4 n GLY 7 N 5.44 1.91 2.73 3.44 0.00 -1.26 -4.61 105.19 112.84 2yu4 n GLY 7 Ca -0.06 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 2yu4 n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yu4 s PHE 8 N 0.00 0.68 -0.07 1.61 0.08 -1.26 -5.11 117.98 113.91 2yu4 s PHE 8 Ca 0.00 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 56.73 2yu4 s PHE 8 Cb 0.00 -0.83 -0.00 0.00 -0.57 0.00 0.00 43.02 41.61 2yu4 s PHE 8 CO 0.00 -0.43 -0.22 0.95 -0.10 0.00 0.00 175.22 175.43 2yu4 s THR 9 N 1.97 1.81 0.02 0.64 -4.23 -1.26 -1.54 115.64 113.05 2yu4 s THR 9 Ca 0.03 -0.91 -0.30 0.00 -1.18 0.00 0.00 61.69 59.33 2yu4 s THR 9 Cb -0.14 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 2yu4 s THR 9 CO -0.06 0.51 1.04 0.00 -0.54 0.00 0.00 174.62 175.56 2yu4 n PRO 11 N 3.85 0.08 -0.09 0.00 -0.04 -1.26 0.03 135.00 137.58 2yu4 n PRO 11 Ca 0.07 0.21 -0.08 0.00 -0.04 0.00 0.00 63.50 63.66 2yu4 n PRO 11 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2yu4 n PRO 11 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2yu4 n ILE 12 N -1.42 1.48 1.08 0.52 5.41 -1.26 -4.49 119.36 120.68 2yu4 n ILE 12 Ca 0.05 0.15 0.14 0.00 1.00 0.00 0.00 62.75 64.09 2yu4 n ILE 12 Cb 0.15 -2.35 0.64 0.00 -0.71 0.00 0.00 39.64 37.36 2yu4 n ILE 12 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2yu4 n THR 13 N -4.50 0.00 -2.06 1.39 -2.24 -1.23 -4.89 114.28 100.74 2yu4 n THR 13 Ca -0.13 -0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 2yu4 n THR 13 Cb 0.45 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 2yu4 n THR 13 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2yu4 n LYS 14 N -1.46 -1.76 -3.14 -0.78 4.01 0.10 -4.93 118.16 110.21 2yu4 n LYS 14 Ca 0.08 0.83 -0.12 0.00 -0.51 0.00 0.00 58.31 58.59 2yu4 n LYS 14 Cb 0.32 -5.33 -0.03 0.00 -0.51 0.00 0.00 35.03 29.48 2yu4 n LYS 14 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2yu4 n GLU 15 N -2.57 0.89 -1.99 1.97 1.02 -1.23 -4.86 120.64 113.86 2yu4 n GLU 15 Ca -0.18 -1.63 -0.34 0.00 -0.02 0.00 0.00 57.16 54.99 2yu4 n GLU 15 Cb 0.60 0.80 0.03 0.00 -0.02 0.00 0.00 31.44 32.85 2yu4 n GLU 15 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2yu4 s GLU 16 N -2.75 3.02 -0.06 3.49 2.12 -1.26 -0.11 118.70 123.16 2yu4 s GLU 16 Ca 0.08 1.58 -0.01 0.00 0.36 0.00 0.00 54.97 56.98 2yu4 s GLU 16 Cb 0.00 -1.96 -0.03 0.00 0.26 0.00 0.00 34.13 32.40 2yu4 s GLU 16 CO 0.06 -1.11 0.01 -1.64 -0.54 0.00 0.00 175.26 172.04 2yu4 s MET 17 N -3.61 2.95 -0.01 4.30 -1.94 -0.59 -4.67 119.30 115.72 2yu4 s MET 17 Ca 0.72 -0.46 0.01 0.00 -1.71 0.00 0.00 55.69 54.24 2yu4 s MET 17 Cb -0.24 -2.77 -0.01 0.00 2.01 0.00 0.00 34.83 33.81 2yu4 s MET 17 CO 0.34 0.68 -0.00 1.63 -0.01 0.00 0.00 175.02 177.66 2yu4 n LYS 18 N 1.85 2.88 -3.82 2.03 4.76 -1.26 -4.89 118.16 119.70 2yu4 n LYS 18 Ca -0.17 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 54.99 2yu4 n LYS 18 Cb 0.53 -1.03 -0.12 0.00 -1.84 0.00 0.00 35.03 32.57 2yu4 n LYS 18 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2yu4 s LYS 19 N -2.03 2.05 -0.01 1.97 3.01 -1.26 -4.97 119.74 118.50 2yu4 s LYS 19 Ca -0.01 -2.92 -0.30 0.00 -1.01 0.00 0.00 55.97 51.73 2yu4 s LYS 19 Cb 0.00 -3.03 -0.06 0.00 -1.01 0.00 0.00 37.83 33.74 2yu4 s LYS 19 CO 0.05 -1.25 1.46 -1.25 0.51 0.00 0.00 175.35 174.86 2yu4 s PRO 20 N -0.86 4.25 -0.19 -1.68 0.04 -1.26 -1.37 135.00 133.93 2yu4 s PRO 20 Ca 0.24 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.29 2yu4 s PRO 20 Cb -0.09 -3.65 0.01 0.00 0.04 0.00 0.00 34.50 30.80 2yu4 s PRO 20 CO -0.12 -0.64 -0.14 0.14 0.04 0.00 0.00 177.00 176.28 2yu4 s VAL 21 N 2.74 2.62 -0.05 -0.36 -7.23 0.86 -1.95 120.40 117.03 2yu4 s VAL 21 Ca 0.66 -0.76 -0.12 0.00 -1.81 0.00 0.00 61.98 59.95 2yu4 s VAL 21 Cb -0.32 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 2yu4 s VAL 21 CO 0.27 0.50 0.31 -0.75 -0.31 0.00 0.00 175.10 175.12 2yu4 s LYS 22 N 1.25 3.79 -0.02 4.82 2.20 0.39 -2.02 119.74 130.16 2yu4 s LYS 22 Ca 0.03 0.21 -0.14 0.00 -0.36 0.00 0.00 55.97 55.71 2yu4 s LYS 22 Cb -0.14 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 2yu4 s LYS 22 CO -0.07 0.68 0.39 1.21 -0.36 0.00 0.00 175.35 177.20 2yu4 s ASN 23 N -0.92 6.77 0.38 1.43 3.84 -1.03 -2.56 114.94 122.85 2yu4 s ASN 23 Ca 0.20 0.91 0.21 0.00 0.21 0.00 0.00 52.86 54.39 2yu4 s ASN 23 Cb -0.15 -2.24 0.47 0.00 -0.55 0.00 0.00 41.25 38.78 2yu4 s ASN 23 CO 0.10 0.31 1.63 0.07 -2.79 0.00 0.00 177.10 176.41 2yu4 h LYS 24 N 4.90 0.00 0.13 0.43 2.10 -1.92 -2.08 116.57 120.14 2yu4 h LYS 24 Ca -0.51 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.13 2yu4 h LYS 24 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2yu4 h LYS 24 CO 0.62 0.28 -0.06 0.28 -2.00 0.00 0.00 179.45 178.57 2yu4 h VAL 25 N 0.00 0.00 0.00 0.07 2.07 -1.94 -3.43 116.25 113.02 2yu4 h VAL 25 Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2yu4 h VAL 25 Cb 1.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2yu4 h VAL 25 CO 0.04 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.47 2yu4 n GLY 27 N 1.75 1.42 3.24 0.00 0.00 -0.78 -5.00 105.19 105.83 2yu4 n GLY 27 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2yu4 n GLY 27 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2yu4 n HIS 28 N 0.00 -1.96 -4.33 1.61 8.25 -1.26 -4.28 115.22 113.24 2yu4 n HIS 28 Ca 0.00 -0.09 -0.18 0.00 -0.26 0.00 0.00 57.72 57.18 2yu4 n HIS 28 Cb 0.00 -1.51 -0.14 0.00 1.12 0.00 0.00 29.99 29.46 2yu4 n HIS 28 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2yu4 s THR 29 N -2.21 0.72 0.31 1.59 -4.23 -1.26 -2.45 115.64 108.11 2yu4 s THR 29 Ca 0.56 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 60.61 2yu4 s THR 29 Cb -0.13 -0.62 -0.02 0.00 1.34 0.00 0.00 72.50 73.07 2yu4 s THR 29 CO 0.58 0.14 0.33 -0.31 -0.54 0.00 0.00 174.62 174.82 2yu4 s TYR 30 N -0.34 1.37 0.28 3.99 2.02 -0.86 -4.90 117.35 118.91 2yu4 s TYR 30 Ca 0.02 -1.45 -0.21 0.00 -0.37 0.00 0.00 57.07 55.06 2yu4 s TYR 30 Cb -0.04 -0.44 -0.09 0.00 -0.40 0.00 0.00 41.96 40.99 2yu4 s TYR 30 CO -0.00 -0.93 0.81 -2.00 -1.57 0.00 0.00 175.55 171.86 2yu4 s GLU 31 N -3.45 4.32 0.02 -0.62 2.12 -1.26 -0.10 118.70 119.73 2yu4 s GLU 31 Ca 0.36 1.00 -0.07 0.00 0.36 0.00 0.00 54.97 56.62 2yu4 s GLU 31 Cb 0.02 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.64 2yu4 s GLU 31 CO 0.22 0.29 1.11 1.49 -0.54 0.00 0.00 175.26 177.83 2yu4 h GLU 32 N 3.07 -0.18 -0.95 4.30 4.81 -1.60 0.21 114.58 124.24 2yu4 h GLU 32 Ca -0.48 0.01 0.27 0.00 -0.13 0.00 0.00 59.36 59.04 2yu4 h GLU 32 Cb 1.19 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 2yu4 h GLU 32 CO 0.65 -0.12 0.68 -0.44 -0.73 0.00 0.00 179.01 179.04 2yu4 h ASP 33 N -0.19 0.04 0.44 1.04 3.32 -1.95 0.30 116.42 119.42 2yu4 h ASP 33 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2yu4 h ASP 33 Cb 0.17 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2yu4 h ASP 33 CO -0.02 0.01 -0.21 0.00 -1.72 0.00 0.00 179.24 177.30 2yu4 h ALA 34 N 1.53 -0.72 0.00 3.45 0.00 -1.77 0.25 119.26 122.01 2yu4 h ALA 34 Ca 0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2yu4 h ALA 34 Cb 1.76 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2yu4 h ALA 34 CO -0.02 -0.68 -0.01 0.97 0.00 0.00 0.00 179.25 179.51 2yu4 h ILE 35 N -0.93 0.07 0.17 0.00 6.09 0.07 0.26 117.51 123.23 2yu4 h ILE 35 Ca -0.06 -0.19 -0.34 0.00 -1.37 0.00 0.00 64.86 62.91 2yu4 h ILE 35 Cb 0.45 1.17 0.01 0.00 0.47 0.00 0.00 36.82 38.92 2yu4 h ILE 35 CO 0.10 0.01 -1.68 0.58 -3.07 0.00 0.00 178.15 174.09 2yu4 h VAL 36 N 0.00 1.01 0.00 2.19 2.07 -0.41 -3.09 116.25 118.03 2yu4 h VAL 36 Ca -0.00 -2.61 -0.11 0.00 0.82 0.00 0.00 66.70 64.81 2yu4 h VAL 36 Cb 0.17 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 2yu4 h VAL 36 CO 0.00 0.84 -0.58 0.08 0.02 0.00 0.00 177.57 177.93 2yu4 h ARG 37 N 0.10 0.00 0.22 1.57 0.11 0.07 -3.13 114.38 113.30 2yu4 h ARG 37 Ca -0.31 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.76 2yu4 h ARG 37 Cb 2.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.16 2yu4 h ARG 37 CO 0.18 0.45 -0.10 1.98 0.10 0.00 0.00 179.97 182.57 2yu4 h MET 38 N 0.00 -0.28 -0.80 0.08 4.05 -0.64 -1.98 114.93 115.37 2yu4 h MET 38 Ca -0.02 0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.53 2yu4 h MET 38 Cb 1.38 0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 32.17 2yu4 h MET 38 CO 0.06 0.04 0.43 0.82 0.23 0.00 0.00 176.91 178.48 2yu4 h ILE 39 N -0.98 0.84 -0.27 1.77 2.04 -1.68 0.15 117.51 119.39 2yu4 h ILE 39 Ca -0.03 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 2yu4 h ILE 39 Cb 0.44 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2yu4 h ILE 39 CO 0.05 0.13 -0.23 -0.33 0.00 0.00 0.00 178.15 177.76 2yu4 h GLU 40 N 0.69 0.51 0.00 2.37 4.39 -1.64 -0.77 114.58 120.14 2yu4 h GLU 40 Ca 0.40 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.86 2yu4 h GLU 40 Cb 0.44 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2yu4 h GLU 40 CO -0.28 0.71 -0.23 1.03 -1.16 0.00 0.00 179.01 179.08 2yu4 h SER 41 N 0.46 0.00 0.00 1.42 0.87 -0.30 -3.03 113.55 112.96 2yu4 h SER 41 Ca 0.07 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 2yu4 h SER 41 Cb 0.65 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2yu4 h SER 41 CO 0.05 0.23 -0.39 0.03 -0.53 0.00 0.00 176.83 176.22 2yu4 h ARG 42 N 0.00 0.00 -0.46 2.24 2.47 -0.35 -3.30 114.38 114.98 2yu4 h ARG 42 Ca -0.00 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.81 2yu4 h ARG 42 Cb 0.94 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.18 2yu4 h ARG 42 CO 0.03 0.93 -0.03 1.96 0.56 0.00 0.00 179.97 183.42 2yu4 h GLN 43 N -1.00 0.07 -0.18 0.04 4.20 -1.23 0.34 115.11 117.36 2yu4 h GLN 43 Ca -0.11 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.65 2yu4 h GLN 43 Cb 1.04 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 2yu4 h GLN 43 CO -0.06 0.05 0.22 1.57 -0.67 0.00 0.00 178.83 179.93 2yu4 h LYS 44 N 0.08 0.00 -0.60 1.46 5.09 -1.69 0.24 116.57 121.15 2yu4 h LYS 44 Ca 0.23 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.79 2yu4 h LYS 44 Cb 0.34 0.00 -0.10 0.00 0.10 0.00 0.00 32.23 32.57 2yu4 h LYS 44 CO -0.41 0.00 0.17 0.54 -2.09 0.00 0.00 179.45 177.67 2yu4 n ARG 45 N -3.70 3.33 -2.46 0.07 1.74 0.83 -4.91 116.66 111.56 2yu4 n ARG 45 Ca 0.02 -3.06 -0.13 0.00 -0.77 0.00 0.00 57.85 53.91 2yu4 n ARG 45 Cb 0.34 -2.10 -0.01 0.00 -1.02 0.00 0.00 32.46 29.68 2yu4 n ARG 45 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2yu4 n LYS 46 N -0.36 -2.26 -1.88 5.56 4.81 0.84 -4.94 118.16 119.94 2yu4 n LYS 46 Ca 0.36 0.60 -0.07 0.00 -0.87 0.00 0.00 58.31 58.33 2yu4 n LYS 46 Cb 1.25 -5.21 0.01 0.00 0.02 0.00 0.00 35.03 31.11 2yu4 n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2yu4 n LYS 47 N -2.83 1.02 -4.18 1.64 5.02 0.84 -4.98 118.16 114.69 2yu4 n LYS 47 Ca -0.14 -1.04 -0.14 0.00 -2.02 0.00 0.00 58.31 54.97 2yu4 n LYS 47 Cb 0.61 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.52 2yu4 n LYS 47 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2yu4 s LYS 48 N -2.79 0.85 -0.23 1.97 -2.85 -1.26 -4.07 119.74 111.36 2yu4 s LYS 48 Ca 0.16 -1.19 -0.26 0.00 -1.00 0.00 0.00 55.97 53.68 2yu4 s LYS 48 Cb -0.01 -0.50 -0.00 0.00 -2.06 0.00 0.00 37.83 35.25 2yu4 s LYS 48 CO 0.10 0.07 0.89 0.00 0.10 0.00 0.00 175.35 176.51 2yu4 s ALA 49 N -2.60 3.65 0.19 0.59 0.00 -1.26 -4.97 121.76 117.36 2yu4 s ALA 49 Ca 0.07 -0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.09 2yu4 s ALA 49 Cb -0.02 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2yu4 s ALA 49 CO -0.00 -0.94 -0.19 1.52 0.00 0.00 0.00 175.76 176.14 2yu4 s TYR 50 N 2.90 1.97 -0.58 0.00 1.13 -1.26 -0.55 117.35 120.96 2yu4 s TYR 50 Ca 0.38 -0.44 -0.31 0.00 -1.41 0.00 0.00 57.07 55.29 2yu4 s TYR 50 Cb -0.15 -0.96 -0.13 0.00 -1.10 0.00 0.00 41.96 39.62 2yu4 s TYR 50 CO 0.07 0.41 2.41 0.00 -2.51 0.00 0.00 175.55 175.94 2yu4 n PRO 52 N 8.58 0.19 -1.78 0.00 -0.04 -1.26 -4.68 135.00 136.01 2yu4 n PRO 52 Ca 0.46 0.42 -0.39 0.00 -0.04 0.00 0.00 63.50 63.96 2yu4 n PRO 52 Cb 0.29 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 2yu4 n PRO 52 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2yu4 s GLN 53 N -3.31 2.65 -0.54 0.54 2.00 -1.26 -4.86 119.66 114.88 2yu4 s GLN 53 Ca 0.04 1.30 -0.31 0.00 -2.00 0.00 0.00 55.36 54.39 2yu4 s GLN 53 Cb 0.09 -4.42 -0.12 0.00 0.80 0.00 0.00 33.01 29.36 2yu4 s GLN 53 CO 0.38 -2.66 2.38 -0.89 -0.50 0.00 0.00 175.29 174.00 2yu4 n ILE 54 N 7.63 0.06 0.00 -2.34 5.41 -1.26 -1.38 119.36 127.49 2yu4 n ILE 54 Ca 0.28 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.65 2yu4 n ILE 54 Cb 0.51 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 2yu4 n ILE 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2yu4 n GLY 55 N 6.35 1.20 3.86 7.39 0.00 -1.26 -5.13 105.19 117.59 2yu4 n GLY 55 Ca 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 2yu4 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yu4 n SER 57 N -1.43 0.90 -4.52 0.00 2.88 -1.26 -5.00 113.62 105.19 2yu4 n SER 57 Ca 0.04 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.23 2yu4 n SER 57 Cb 0.54 1.37 0.09 0.00 -0.75 0.00 0.00 64.21 65.46 2yu4 n SER 57 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2yu4 n HIS 58 N -2.37 -0.28 -2.57 0.66 -0.00 -1.26 -4.96 115.22 104.44 2yu4 n HIS 58 Ca -0.15 0.35 -0.02 0.00 -0.00 0.00 0.00 57.72 57.90 2yu4 n HIS 58 Cb 0.75 -1.96 0.07 0.00 -0.00 0.00 0.00 29.99 28.85 2yu4 n HIS 58 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2yu4 n THR 59 N -2.74 0.27 -3.58 3.57 -2.24 -1.26 -3.48 114.28 104.82 2yu4 n THR 59 Ca 0.11 -1.22 -0.29 0.00 -2.27 0.00 0.00 64.05 60.38 2yu4 n THR 59 Cb 0.50 0.97 -0.15 0.00 -2.10 0.00 0.00 70.33 69.56 2yu4 n THR 59 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2yu4 s ASP 60 N -1.73 3.62 -0.05 3.42 2.15 -1.24 -4.56 116.67 118.28 2yu4 s ASP 60 Ca 0.13 -1.40 0.04 0.00 0.43 0.00 0.00 52.55 51.75 2yu4 s ASP 60 Cb 0.34 -0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.50 2yu4 s ASP 60 CO -0.09 -0.43 -0.16 -0.63 -0.17 0.00 0.00 175.17 173.69 2yu4 s ILE 61 N 1.96 1.36 -0.00 4.11 1.01 0.29 -4.89 121.20 125.04 2yu4 s ILE 61 Ca 0.10 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.15 2yu4 s ILE 61 Cb -0.17 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 2yu4 s ILE 61 CO -0.33 0.40 -0.21 -0.60 0.00 0.00 0.00 174.94 174.20 2yu4 s ARG 62 N 0.23 1.64 0.59 2.79 3.52 -1.26 -4.34 118.95 122.11 2yu4 s ARG 62 Ca -0.08 -0.81 0.29 0.00 -0.13 0.00 0.00 55.73 55.00 2yu4 s ARG 62 Cb -0.13 -1.63 1.65 0.00 -1.56 0.00 0.00 34.95 33.28 2yu4 s ARG 62 CO 0.03 0.44 2.09 -0.22 -0.81 0.00 0.00 175.30 176.83 2yu4 h LYS 63 N 5.42 0.00 0.00 5.12 3.64 -1.97 0.24 116.57 129.02 2yu4 h LYS 63 Ca -0.40 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.93 2yu4 h LYS 63 Cb 1.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2yu4 h LYS 63 CO 0.47 0.00 -0.24 0.77 -2.27 0.00 0.00 179.45 178.18 2yu4 h SER 64 N 0.00 0.00 -0.65 4.20 0.02 -2.04 -3.01 113.55 112.07 2yu4 h SER 64 Ca 0.09 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.79 2yu4 h SER 64 Cb 0.51 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.90 2yu4 h SER 64 CO -0.00 0.24 0.32 0.47 -1.14 0.00 0.00 176.83 176.71 2yu4 n ASP 65 N -3.27 4.02 -4.34 3.07 9.92 0.84 -4.87 116.55 121.92 2yu4 n ASP 65 Ca 0.01 -3.05 -0.35 0.00 -0.53 0.00 0.00 54.79 50.87 2yu4 n ASP 65 Cb 0.52 -0.72 -0.14 0.00 -0.64 0.00 0.00 41.12 40.14 2yu4 n ASP 65 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2yu4 s LEU 66 N -2.41 2.95 0.11 0.64 1.43 -1.14 -3.10 118.68 117.15 2yu4 s LEU 66 Ca 0.44 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2yu4 s LEU 66 Cb 0.36 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2yu4 s LEU 66 CO 0.10 0.02 -0.06 0.27 0.23 0.00 0.00 176.35 176.91 2yu4 s ILE 67 N 1.26 0.73 -0.12 -0.59 -4.36 -1.06 -5.01 121.20 112.05 2yu4 s ILE 67 Ca 0.03 -1.95 -0.25 0.00 -0.26 0.00 0.00 60.65 58.22 2yu4 s ILE 67 Cb -0.14 -1.76 -0.02 0.00 1.25 0.00 0.00 42.46 41.78 2yu4 s ILE 67 CO -0.01 -0.81 0.78 -1.10 0.24 0.00 0.00 174.94 174.04 2yu4 s GLN 68 N -3.84 4.36 -0.71 0.37 -0.21 -1.26 -0.46 119.66 117.90 2yu4 s GLN 68 Ca 0.14 0.96 -0.23 0.00 0.02 0.00 0.00 55.36 56.25 2yu4 s GLN 68 Cb 0.05 -3.52 0.07 0.00 1.00 0.00 0.00 33.01 30.61 2yu4 s GLN 68 CO -0.03 -0.17 1.05 0.34 -2.12 0.00 0.00 175.29 174.36 2yu4 s ASP 69 N 1.03 6.23 0.19 5.90 -1.08 -0.82 -4.83 116.67 123.28 2yu4 s ASP 69 Ca 0.38 -1.03 -0.12 0.00 -0.52 0.00 0.00 52.55 51.25 2yu4 s ASP 69 Cb -0.17 -2.44 0.15 0.00 -1.46 0.00 0.00 42.92 39.00 2yu4 s ASP 69 CO 0.15 -1.47 1.79 -0.08 0.52 0.00 0.00 175.17 176.09 2yu4 h GLU 70 N 9.57 0.53 -0.63 4.34 4.81 -1.95 0.28 114.58 131.54 2yu4 h GLU 70 Ca -0.22 -0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.16 2yu4 h GLU 70 Cb 1.06 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 2yu4 h GLU 70 CO 1.20 0.35 0.50 0.00 -0.73 0.00 0.00 179.01 180.33 2yu4 h ALA 71 N 1.29 2.52 0.08 2.92 0.00 -1.99 -1.17 119.26 122.91 2yu4 h ALA 71 Ca 0.24 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.76 2yu4 h ALA 71 Cb 0.13 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2yu4 h ALA 71 CO -0.16 -0.82 -2.06 -0.11 0.00 0.00 0.00 179.25 176.11 2yu4 n LEU 72 N -4.14 2.63 -0.16 0.00 7.94 -0.35 -3.50 117.00 119.41 2yu4 n LEU 72 Ca 0.12 0.16 -0.02 0.00 -1.11 0.00 0.00 56.01 55.16 2yu4 n LEU 72 Cb 0.74 -1.06 0.07 0.00 0.53 0.00 0.00 43.42 43.70 2yu4 n LEU 72 CO 0.35 0.82 0.88 0.03 -1.11 0.00 0.00 177.39 178.35 2yu4 h ARG 73 N -0.07 0.17 -0.04 1.96 3.08 0.47 -0.31 114.38 119.65 2yu4 h ARG 73 Ca -0.46 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.46 2yu4 h ARG 73 Cb 1.93 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.93 2yu4 h ARG 73 CO 0.01 0.11 -0.51 0.00 -1.07 0.00 0.00 179.97 178.51 2yu4 h ARG 74 N 0.18 0.11 0.83 0.04 3.08 -1.45 -3.13 114.38 114.04 2yu4 h ARG 74 Ca 0.26 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 2yu4 h ARG 74 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.43 2yu4 h ARG 74 CO -0.38 0.60 -0.42 0.00 -1.07 0.00 0.00 179.97 178.70 2yu4 h ALA 75 N 1.39 -1.15 -0.87 0.04 0.00 -1.13 0.46 119.26 118.00 2yu4 h ALA 75 Ca 0.00 -0.25 0.19 0.00 0.00 0.00 0.00 54.91 54.85 2yu4 h ALA 75 Cb 0.94 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 2yu4 h ALA 75 CO 0.07 -1.15 0.58 0.82 0.00 0.00 0.00 179.25 179.57 2yu4 h ILE 76 N -1.15 0.72 -0.08 0.00 2.04 -1.34 0.13 117.51 117.84 2yu4 h ILE 76 Ca -0.11 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 65.43 2yu4 h ILE 76 Cb 0.89 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2yu4 h ILE 76 CO 0.17 0.08 -0.68 -0.33 0.00 0.00 0.00 178.15 177.39 2yu4 h GLU 77 N 0.44 0.33 0.00 2.37 5.08 -1.42 -1.82 114.58 119.56 2yu4 h GLU 77 Ca 0.45 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2yu4 h GLU 77 Cb 1.06 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2yu4 h GLU 77 CO -0.17 0.89 -0.10 -0.97 -1.00 0.00 0.00 179.01 177.66 2yu4 h ASN 78 N 0.23 0.00 0.36 1.42 -0.73 0.15 -2.37 115.58 114.65 2yu4 h ASN 78 Ca -0.02 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.84 2yu4 h ASN 78 Cb 1.23 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.77 2yu4 h ASN 78 CO 0.11 0.10 -1.89 1.57 -0.37 0.00 0.00 177.43 176.96 2yu4 n HIS 79 N -3.88 0.76 0.11 0.67 -0.00 -1.01 -4.12 115.22 107.74 2yu4 n HIS 79 Ca -0.02 0.27 0.02 0.00 0.46 0.00 0.00 57.72 58.45 2yu4 n HIS 79 Cb 0.20 -1.14 0.38 0.00 -0.12 0.00 0.00 29.99 29.31 2yu4 n HIS 79 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 2yu4 h ASN 80 N 0.00 0.25 -0.64 0.26 -0.73 -0.85 -2.35 115.58 111.51 2yu4 h ASN 80 Ca -0.35 -0.05 0.17 0.00 1.87 0.00 0.00 56.30 57.94 2yu4 h ASN 80 Cb 2.07 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 40.57 2yu4 h ASN 80 CO 0.07 0.40 0.46 0.07 -0.37 0.00 0.00 177.43 178.05 2yu4 h LYS 81 N 0.25 0.08 -0.35 6.67 5.09 -1.59 0.13 116.57 126.85 2yu4 h LYS 81 Ca 0.05 -0.00 0.10 0.00 0.09 0.00 0.00 60.65 60.89 2yu4 h LYS 81 Cb 0.37 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.67 2yu4 h LYS 81 CO 0.02 0.05 0.32 -0.22 -2.09 0.00 0.00 179.45 177.53 2yu4 h LYS 82 N 0.08 0.00 0.03 0.07 3.11 -1.65 -3.01 116.57 115.20 2yu4 h LYS 82 Ca 0.31 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.15 2yu4 h LYS 82 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 2yu4 h LYS 82 CO -0.03 0.00 -0.01 0.00 -2.81 0.00 0.00 179.45 176.60 2yu4 h ARG 83 N 0.00 -0.04 -5.10 1.90 2.47 -0.92 -3.45 114.38 109.25 2yu4 h ARG 83 Ca 0.16 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 58.23 2yu4 h ARG 83 Cb 0.79 0.01 -0.27 0.00 -1.65 0.00 0.00 29.97 28.85 2yu4 h ARG 83 CO -0.00 -0.02 -0.73 -1.01 0.56 0.00 0.00 179.97 178.77 2yu4 s HIS 84 N -1.46 2.94 -0.36 3.04 3.76 -1.14 -5.00 115.29 117.07 2yu4 s HIS 84 Ca -0.01 -0.81 0.13 0.00 -0.15 0.00 0.00 55.06 54.22 2yu4 s HIS 84 Cb 0.00 -2.03 0.45 0.00 1.11 0.00 0.00 32.58 32.10 2yu4 s HIS 84 CO 0.02 -0.42 1.03 2.89 -0.85 0.00 0.00 174.74 177.40 2yu4 n ARG 85 N 4.39 2.14 -1.64 1.40 0.00 -1.25 -4.61 116.66 117.09 2yu4 n ARG 85 Ca -0.18 -3.78 -0.18 0.00 -0.00 0.00 0.00 57.85 53.71 2yu4 n ARG 85 Cb 0.51 -1.69 0.07 0.00 -0.00 0.00 0.00 32.46 31.36 2yu4 n ARG 85 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2yu4 n HIS 86 N -0.28 2.17 -3.51 2.89 -0.00 -1.26 -4.94 115.22 110.29 2yu4 n HIS 86 Ca 0.22 -2.10 -0.19 0.00 0.46 0.00 0.00 57.72 56.10 2yu4 n HIS 86 Cb 0.76 -0.40 0.06 0.00 -0.12 0.00 0.00 29.99 30.29 2yu4 n HIS 86 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2yu4 n SER 87 N -0.82 -2.92 -1.29 0.26 2.88 -1.26 -4.70 113.62 105.76 2yu4 n SER 87 Ca 0.40 -0.74 0.16 0.00 -1.33 0.00 0.00 58.87 57.36 2yu4 n SER 87 Cb 0.90 -4.63 -0.07 0.00 -0.75 0.00 0.00 64.21 59.67 2yu4 n SER 87 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2yu4 n GLU 88 N -4.00 -2.83 -0.05 -1.46 1.02 -1.26 -4.81 120.64 107.24 2yu4 n GLU 88 Ca -0.23 2.17 -0.02 0.00 -0.02 0.00 0.00 57.16 59.06 2yu4 n GLU 88 Cb 0.66 -3.37 -0.01 0.00 -0.02 0.00 0.00 31.44 28.71 2yu4 n GLU 88 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2yu4 h SER 89 N -1.24 0.00 0.00 1.62 0.87 -2.00 -3.51 113.55 109.29 2yu4 h SER 89 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2yu4 h SER 89 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2yu4 h SER 89 CO 0.05 0.55 0.00 0.61 -0.53 0.00 0.00 176.83 177.51 2yu4 n GLY 90 N 1.72 0.53 3.66 5.77 0.00 -1.26 -5.16 105.19 110.46 2yu4 n GLY 90 Ca -0.03 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 2yu4 n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu4 s PRO 91 N -2.00 0.19 -0.14 1.61 0.04 -1.26 -5.02 135.00 128.42 2yu4 s PRO 91 Ca 0.00 0.44 0.05 0.00 0.04 0.00 0.00 61.00 61.53 2yu4 s PRO 91 Cb 0.00 -1.72 0.17 0.00 0.04 0.00 0.00 34.50 33.00 2yu4 s PRO 91 CO 0.00 -2.88 1.17 0.45 0.04 0.00 0.00 177.00 175.78 2yu4 n SER 92 N -4.26 -1.11 -4.37 6.66 2.88 -1.26 -5.07 113.62 107.09 2yu4 n SER 92 Ca 0.06 -1.96 -0.46 0.00 -1.33 0.00 0.00 58.87 55.17 2yu4 n SER 92 Cb 0.58 0.44 -0.02 0.00 -0.75 0.00 0.00 64.21 64.45 2yu4 n SER 92 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yu4 s SER 93 N -0.97 6.72 0.00 -3.46 1.04 -1.26 -5.36 113.70 110.41 2yu4 s SER 93 Ca 0.04 -2.49 0.00 0.00 0.48 0.00 0.00 55.95 53.98 2yu4 s SER 93 Cb 0.19 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 64.04 2yu4 s SER 93 CO -0.05 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.05