#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 -4.60 -4.17 1.61 7.64 -1.26 -4.95 113.62 107.88 2yu4 n SER 2 Ca 0.00 -0.58 -0.21 0.00 1.01 0.00 0.00 58.87 59.09 2yu4 n SER 2 Cb 0.00 -3.72 -0.09 0.00 -1.01 0.00 0.00 64.21 59.39 2yu4 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yu4 s SER 3 N -3.01 1.98 0.00 6.43 0.01 -1.26 -5.06 113.70 112.79 2yu4 s SER 3 Ca 0.53 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2yu4 s SER 3 Cb -0.27 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2yu4 s SER 3 CO 0.65 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2yu4 n GLY 4 N -0.67 0.00 3.94 3.44 0.00 -1.26 -5.17 105.19 105.47 2yu4 n GLY 4 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2yu4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu4 s SER 5 N 0.00 6.32 -0.08 1.61 0.01 -1.26 -5.06 113.70 115.25 2yu4 s SER 5 Ca 0.00 0.46 -0.02 0.00 1.31 0.00 0.00 55.95 57.70 2yu4 s SER 5 Cb 0.00 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.19 2yu4 s SER 5 CO 0.00 -0.25 -0.04 0.28 0.41 0.00 0.00 173.24 173.64 2yu4 h SER 6 N 0.98 0.00 -2.18 2.44 0.02 -2.07 -3.48 113.55 109.27 2yu4 h SER 6 Ca -0.49 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.34 2yu4 h SER 6 Cb 1.21 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.81 2yu4 h SER 6 CO 0.62 0.40 0.06 0.61 -1.14 0.00 0.00 176.83 177.38 2yu4 n GLY 7 N 1.79 -2.20 2.68 -3.77 0.00 -1.26 -5.07 105.19 97.36 2yu4 n GLY 7 Ca -0.02 -1.52 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.66 0.36 -0.03 1.61 0.08 -1.26 -5.12 117.98 111.96 2yu4 s PHE 8 Ca 0.21 -0.15 0.06 0.00 0.12 0.00 0.00 56.93 57.18 2yu4 s PHE 8 Cb -0.02 -0.68 -0.01 0.00 -0.57 0.00 0.00 43.02 41.74 2yu4 s PHE 8 CO 0.16 -0.37 -0.22 0.95 -0.10 0.00 0.00 175.22 175.64 2yu4 s THR 9 N 2.08 1.81 -0.01 0.64 -4.23 -1.26 -1.87 115.64 112.79 2yu4 s THR 9 Ca 0.03 -0.96 -0.28 0.00 -1.18 0.00 0.00 61.69 59.31 2yu4 s THR 9 Cb -0.14 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 2yu4 s THR 9 CO -0.06 0.51 0.90 0.00 -0.54 0.00 0.00 174.62 175.43 2yu4 n PRO 11 N 3.82 0.07 -0.01 0.00 -0.04 -1.26 -0.47 135.00 137.11 2yu4 n PRO 11 Ca 0.04 0.22 -0.01 0.00 -0.04 0.00 0.00 63.50 63.71 2yu4 n PRO 11 Cb 0.51 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.43 0.21 0.29 0.52 5.41 -1.26 -4.58 119.36 118.52 2yu4 n ILE 12 Ca 0.05 0.45 0.17 0.00 1.00 0.00 0.00 62.75 64.42 2yu4 n ILE 12 Cb 0.15 -1.62 0.72 0.00 -0.71 0.00 0.00 39.64 38.18 2yu4 n ILE 12 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2yu4 h THR 13 N -0.14 0.00 -4.43 1.39 1.35 -1.96 -3.46 112.91 105.65 2yu4 h THR 13 Ca 0.00 -0.44 -0.33 0.00 -0.55 0.00 0.00 66.41 65.08 2yu4 h THR 13 Cb 0.14 1.42 0.09 0.00 -1.73 0.00 0.00 68.15 68.06 2yu4 h THR 13 CO 0.00 0.00 -0.54 0.29 -0.25 0.00 0.00 175.52 175.02 2yu4 n LYS 14 N -3.02 -5.44 -4.24 4.72 4.76 0.39 -5.00 118.16 110.34 2yu4 n LYS 14 Ca 0.00 0.72 -0.19 0.00 -2.87 0.00 0.00 58.31 55.98 2yu4 n LYS 14 Cb 0.28 -5.30 -0.07 0.00 -1.84 0.00 0.00 35.03 28.10 2yu4 n LYS 14 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2yu4 s GLU 15 N -5.81 1.85 0.61 1.97 2.02 -1.24 -4.87 118.70 113.23 2yu4 s GLU 15 Ca 0.38 -1.99 -0.19 0.00 0.02 0.00 0.00 54.97 53.19 2yu4 s GLU 15 Cb -0.17 0.36 -0.03 0.00 0.10 0.00 0.00 34.13 34.40 2yu4 s GLU 15 CO 0.47 -0.71 1.28 -2.00 0.02 0.00 0.00 175.26 174.31 2yu4 s GLU 16 N -3.25 2.80 -0.11 1.61 2.12 -1.26 -0.29 118.70 120.32 2yu4 s GLU 16 Ca 0.38 2.03 -0.03 0.00 0.36 0.00 0.00 54.97 57.71 2yu4 s GLU 16 Cb 0.01 -1.96 -0.03 0.00 0.26 0.00 0.00 34.13 32.41 2yu4 s GLU 16 CO 0.27 -1.39 0.00 -1.64 -0.54 0.00 0.00 175.26 171.96 2yu4 s MET 17 N -3.26 3.27 -0.04 4.30 -1.94 -0.78 -4.72 119.30 116.13 2yu4 s MET 17 Ca 0.79 -0.42 0.03 0.00 -1.71 0.00 0.00 55.69 54.38 2yu4 s MET 17 Cb -0.36 -2.88 -0.05 0.00 2.01 0.00 0.00 34.83 33.55 2yu4 s MET 17 CO 0.39 0.55 0.01 1.63 -0.01 0.00 0.00 175.02 177.59 2yu4 n LYS 18 N 2.62 2.95 -3.81 2.03 4.76 -1.26 -4.87 118.16 120.58 2yu4 n LYS 18 Ca -0.18 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 54.98 2yu4 n LYS 18 Cb 0.53 -1.11 -0.12 0.00 -1.84 0.00 0.00 35.03 32.49 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 -2.10 1.99 -0.00 1.97 3.01 -1.26 -4.91 119.74 118.43 2yu4 s LYS 19 Ca -0.03 -2.85 -0.30 0.00 -1.01 0.00 0.00 55.97 51.78 2yu4 s LYS 19 Cb 0.01 -2.97 -0.06 0.00 -1.01 0.00 0.00 37.83 33.81 2yu4 s LYS 19 CO 0.17 -1.25 1.46 -1.25 0.51 0.00 0.00 175.35 174.99 2yu4 s PRO 20 N -0.77 4.26 -0.15 -1.68 0.04 -1.26 -1.45 135.00 133.99 2yu4 s PRO 20 Ca 0.23 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.31 2yu4 s PRO 20 Cb -0.10 -3.63 0.01 0.00 0.04 0.00 0.00 34.50 30.81 2yu4 s PRO 20 CO -0.11 -0.63 -0.19 0.14 0.04 0.00 0.00 177.00 176.24 2yu4 s VAL 21 N 2.66 2.29 0.01 -0.36 -7.23 0.87 -2.21 120.40 116.44 2yu4 s VAL 21 Ca 0.66 -0.89 -0.10 0.00 -1.81 0.00 0.00 61.98 59.84 2yu4 s VAL 21 Cb -0.32 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 2yu4 s VAL 21 CO 0.27 0.53 0.33 -0.75 -0.31 0.00 0.00 175.10 175.17 2yu4 s LYS 22 N 0.91 3.71 0.29 4.82 2.20 -0.61 -1.71 119.74 129.34 2yu4 s LYS 22 Ca -0.04 0.12 -0.09 0.00 -0.36 0.00 0.00 55.97 55.60 2yu4 s LYS 22 Cb -0.15 -3.11 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 2yu4 s LYS 22 CO -0.03 0.65 0.60 1.21 -0.36 0.00 0.00 175.35 177.42 2yu4 s ASN 23 N -1.46 6.56 0.13 1.43 3.84 -0.96 -1.76 114.94 122.71 2yu4 s ASN 23 Ca 0.26 0.92 0.18 0.00 0.21 0.00 0.00 52.86 54.43 2yu4 s ASN 23 Cb -0.14 -2.23 -0.07 0.00 -0.55 0.00 0.00 41.25 38.26 2yu4 s ASN 23 CO 0.14 -0.18 0.98 0.11 -2.79 0.00 0.00 177.10 175.36 2yu4 h LYS 24 N 2.02 0.00 0.01 0.43 1.57 -1.63 -3.12 116.57 115.85 2yu4 h LYS 24 Ca -0.47 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2yu4 h LYS 24 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2yu4 h LYS 24 CO 0.67 0.26 -0.01 0.28 -0.57 0.00 0.00 179.45 180.08 2yu4 h VAL 25 N 0.00 0.00 0.00 0.50 2.07 -1.93 -3.44 116.25 113.46 2yu4 h VAL 25 Ca -0.10 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2yu4 h VAL 25 Cb 1.43 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2yu4 h VAL 25 CO 0.04 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.59 2yu4 n GLY 27 N 1.87 1.35 3.23 0.00 0.00 -1.18 -4.99 105.19 105.46 2yu4 n GLY 27 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.08 -4.54 1.61 8.25 -1.26 -4.21 115.22 112.99 2yu4 n HIS 28 Ca 0.00 -0.13 -0.21 0.00 -0.26 0.00 0.00 57.72 57.12 2yu4 n HIS 28 Cb 0.00 -1.50 -0.15 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 -2.20 0.96 0.31 1.59 -4.23 -1.26 -2.28 115.64 108.53 2yu4 s THR 29 Ca 0.55 -0.51 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 2yu4 s THR 29 Cb -0.13 -0.80 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 2yu4 s THR 29 CO 0.56 0.27 0.29 -0.31 -0.54 0.00 0.00 174.62 174.89 2yu4 s TYR 30 N -0.23 1.52 0.25 3.99 2.02 -0.69 -4.90 117.35 119.31 2yu4 s TYR 30 Ca 0.04 -1.54 -0.19 0.00 -0.37 0.00 0.00 57.07 55.01 2yu4 s TYR 30 Cb -0.05 -0.57 -0.08 0.00 -0.40 0.00 0.00 41.96 40.85 2yu4 s TYR 30 CO -0.00 -0.88 0.73 -2.00 -1.57 0.00 0.00 175.55 171.83 2yu4 s GLU 31 N -3.51 4.19 0.02 -0.62 2.12 -1.26 -0.09 118.70 119.55 2yu4 s GLU 31 Ca 0.38 0.83 -0.07 0.00 0.36 0.00 0.00 54.97 56.47 2yu4 s GLU 31 Cb 0.03 -2.76 -0.03 0.00 0.26 0.00 0.00 34.13 31.62 2yu4 s GLU 31 CO 0.24 0.33 1.10 1.49 -0.54 0.00 0.00 175.26 177.88 2yu4 h GLU 32 N 3.11 -0.18 -0.94 4.30 4.81 -1.62 0.22 114.58 124.28 2yu4 h GLU 32 Ca -0.48 0.01 0.27 0.00 -0.13 0.00 0.00 59.36 59.03 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 0.67 -0.44 -0.73 0.00 0.00 179.01 179.05 2yu4 h ASP 33 N -0.18 0.03 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 0.16 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 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 1.54 -0.71 0.00 3.45 0.00 -1.77 0.26 119.26 122.02 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 -0.67 -0.01 0.97 0.00 0.00 0.00 179.25 179.52 2yu4 h ILE 35 N -0.94 0.08 0.18 0.00 6.09 0.09 0.26 117.51 123.27 2yu4 h ILE 35 Ca -0.06 -0.19 -0.34 0.00 -1.37 0.00 0.00 64.86 62.90 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 -1.69 0.58 -3.07 0.00 0.00 178.15 174.08 2yu4 h VAL 36 N 0.00 1.01 0.00 2.19 2.07 -0.42 -3.04 116.25 118.06 2yu4 h VAL 36 Ca -0.00 -2.59 -0.11 0.00 0.82 0.00 0.00 66.70 64.83 2yu4 h VAL 36 Cb 0.17 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 2yu4 h VAL 36 CO 0.00 0.84 -0.56 0.08 0.02 0.00 0.00 177.57 177.96 2yu4 h ARG 37 N 0.10 0.00 0.19 1.57 0.11 0.07 -3.03 114.38 113.39 2yu4 h ARG 37 Ca -0.32 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.75 2yu4 h ARG 37 Cb 2.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.17 2yu4 h ARG 37 CO 0.18 0.47 -0.09 1.98 0.10 0.00 0.00 179.97 182.61 2yu4 h MET 38 N 0.00 -0.25 -0.94 0.08 4.05 -0.63 -1.78 114.93 115.46 2yu4 h MET 38 Ca -0.02 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.51 2yu4 h MET 38 Cb 1.38 0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 32.17 2yu4 h MET 38 CO 0.06 0.03 0.60 0.82 0.23 0.00 0.00 176.91 178.66 2yu4 h ILE 39 N -1.00 1.00 -0.22 1.77 2.04 -1.67 0.27 117.51 119.69 2yu4 h ILE 39 Ca -0.03 -0.34 -0.15 0.00 1.00 0.00 0.00 64.86 65.35 2yu4 h ILE 39 Cb 0.39 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2yu4 h ILE 39 CO 0.04 0.18 -0.48 -0.33 0.00 0.00 0.00 178.15 177.57 2yu4 h GLU 40 N 0.99 0.59 -0.19 2.37 4.39 -1.62 -2.31 114.58 118.79 2yu4 h GLU 40 Ca 0.43 -0.34 -0.21 0.00 0.34 0.00 0.00 59.36 59.58 2yu4 h GLU 40 Cb 0.34 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2yu4 h GLU 40 CO -0.19 0.94 -0.70 0.77 -1.16 0.00 0.00 179.01 178.67 2yu4 h SER 41 N 0.47 0.92 0.20 1.42 0.02 -0.31 -3.08 113.55 113.18 2yu4 h SER 41 Ca 0.03 -0.57 -0.01 0.00 -0.84 0.00 0.00 61.79 60.40 2yu4 h SER 41 Cb 1.01 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2yu4 h SER 41 CO 0.09 1.36 -0.10 0.03 -1.14 0.00 0.00 176.83 177.08 2yu4 h ARG 42 N 0.57 -0.26 -0.80 3.45 2.47 -0.49 -2.62 114.38 116.70 2yu4 h ARG 42 Ca -0.03 0.02 0.21 0.00 -1.26 0.00 0.00 59.98 58.92 2yu4 h ARG 42 Cb 1.32 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.65 2yu4 h ARG 42 CO 0.15 -0.05 0.56 1.96 0.56 0.00 0.00 179.97 183.15 2yu4 h GLN 43 N -0.43 0.16 -0.17 0.04 1.08 -1.49 0.34 115.11 114.64 2yu4 h GLN 43 Ca -0.03 -0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 2yu4 h GLN 43 Cb 0.33 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2yu4 h GLN 43 CO 0.04 0.11 -0.45 0.87 -0.95 0.00 0.00 178.83 178.45 2yu4 h LYS 44 N 0.17 0.43 -0.83 1.46 1.79 -1.38 -2.89 116.57 115.31 2yu4 h LYS 44 Ca 0.40 -0.23 -0.30 0.00 -2.18 0.00 0.00 60.65 58.34 2yu4 h LYS 44 Cb 1.30 0.01 -0.18 0.00 -1.58 0.00 0.00 32.23 31.79 2yu4 h LYS 44 CO -0.07 0.80 0.38 0.54 -1.08 0.00 0.00 179.45 180.01 2yu4 n ARG 45 N -4.00 3.32 -3.81 3.15 1.74 0.83 -4.90 116.66 112.99 2yu4 n ARG 45 Ca -0.02 -3.01 -0.30 0.00 -0.77 0.00 0.00 57.85 53.76 2yu4 n ARG 45 Cb 0.53 -2.20 0.01 0.00 -1.02 0.00 0.00 32.46 29.79 2yu4 n ARG 45 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2yu4 n LYS 46 N -0.39 -4.75 -3.10 5.56 5.02 -0.70 -4.96 118.16 114.83 2yu4 n LYS 46 Ca 0.46 0.56 -0.18 0.00 -2.02 0.00 0.00 58.31 57.13 2yu4 n LYS 46 Cb 1.46 -5.40 -0.00 0.00 -0.02 0.00 0.00 35.03 31.07 2yu4 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2yu4 n LYS 47 N -4.43 0.97 -4.18 1.97 5.02 0.82 -4.98 118.16 113.35 2yu4 n LYS 47 Ca 0.03 -2.29 -0.17 0.00 -2.02 0.00 0.00 58.31 53.86 2yu4 n LYS 47 Cb 0.53 0.28 -0.12 0.00 -0.02 0.00 0.00 35.03 35.70 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 -3.47 0.85 -0.21 1.97 -2.85 -1.26 -4.01 119.74 110.76 2yu4 s LYS 48 Ca 0.19 -1.04 -0.29 0.00 -1.00 0.00 0.00 55.97 53.83 2yu4 s LYS 48 Cb -0.02 -0.76 0.00 0.00 -2.06 0.00 0.00 37.83 35.00 2yu4 s LYS 48 CO 0.12 0.15 1.08 0.00 0.10 0.00 0.00 175.35 176.81 2yu4 s ALA 49 N -1.68 3.67 0.18 0.59 0.00 -1.26 -4.99 121.76 118.26 2yu4 s ALA 49 Ca 0.01 0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.31 2yu4 s ALA 49 Cb -0.08 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2yu4 s ALA 49 CO 0.02 -1.05 -0.19 1.52 0.00 0.00 0.00 175.76 176.06 2yu4 s TYR 50 N 3.20 1.91 -0.59 0.00 -0.85 -1.26 -0.88 117.35 118.89 2yu4 s TYR 50 Ca 0.46 -0.45 -0.31 0.00 -0.52 0.00 0.00 57.07 56.26 2yu4 s TYR 50 Cb -0.17 -0.94 -0.13 0.00 0.38 0.00 0.00 41.96 41.11 2yu4 s TYR 50 CO 0.08 0.38 2.42 0.00 -1.52 0.00 0.00 175.55 176.91 2yu4 n PRO 52 N 8.58 0.18 -1.79 0.00 -0.04 -1.26 -4.69 135.00 135.98 2yu4 n PRO 52 Ca 0.47 0.42 -0.41 0.00 -0.04 0.00 0.00 63.50 63.94 2yu4 n PRO 52 Cb 0.29 -1.85 -0.03 0.00 -0.04 0.00 0.00 33.50 31.87 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 -3.30 2.89 -0.59 0.54 2.00 -1.26 -4.86 119.66 115.09 2yu4 s GLN 53 Ca 0.04 1.47 -0.29 0.00 -2.00 0.00 0.00 55.36 54.59 2yu4 s GLN 53 Cb 0.09 -4.36 -0.12 0.00 0.80 0.00 0.00 33.01 29.42 2yu4 s GLN 53 CO 0.38 -2.38 2.45 -0.89 -0.50 0.00 0.00 175.29 174.35 2yu4 n ILE 54 N 7.61 -0.00 0.00 -2.34 -0.00 -1.26 -1.36 119.36 122.01 2yu4 n ILE 54 Ca 0.27 -0.49 0.00 0.00 -0.00 0.00 0.00 62.75 62.53 2yu4 n ILE 54 Cb 0.49 -2.02 0.00 0.00 -0.00 0.00 0.00 39.64 38.11 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 6.21 1.10 3.85 7.39 0.00 -1.26 -5.13 105.19 117.35 2yu4 n GLY 55 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.75 0.21 -4.47 0.00 2.88 -1.26 -4.98 113.62 105.26 2yu4 n SER 57 Ca 0.04 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.22 2yu4 n SER 57 Cb 0.54 1.38 0.08 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 -2.52 -0.83 -2.56 0.66 -0.00 -1.26 -4.96 115.22 103.75 2yu4 n HIS 58 Ca -0.20 0.33 -0.02 0.00 -0.00 0.00 0.00 57.72 57.83 2yu4 n HIS 58 Cb 0.89 -1.90 0.07 0.00 -0.00 0.00 0.00 29.99 29.05 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 -2.65 0.26 -3.58 3.57 -2.24 -1.26 -3.40 114.28 104.99 2yu4 n THR 59 Ca 0.10 -1.20 -0.29 0.00 -2.27 0.00 0.00 64.05 60.38 2yu4 n THR 59 Cb 0.51 0.97 -0.15 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.07 3.42 -1.08 -1.24 -4.54 116.67 115.06 2yu4 s ASP 60 Ca 0.13 -1.40 0.03 0.00 -0.52 0.00 0.00 52.55 50.79 2yu4 s ASP 60 Cb 0.33 -0.46 0.01 0.00 -1.46 0.00 0.00 42.92 41.34 2yu4 s ASP 60 CO -0.09 -0.43 -0.15 -0.63 0.52 0.00 0.00 175.17 174.39 2yu4 s ILE 61 N 1.96 1.36 -0.00 4.11 1.01 -0.06 -4.87 121.20 124.70 2yu4 s ILE 61 Ca 0.10 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.19 2yu4 s ILE 61 Cb -0.17 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 2yu4 s ILE 61 CO -0.33 0.40 -0.21 -0.13 0.00 0.00 0.00 174.94 174.67 2yu4 s ARG 62 N 0.48 1.65 0.59 2.79 0.52 -1.26 -4.40 118.95 119.31 2yu4 s ARG 62 Ca -0.13 -0.80 0.29 0.00 -0.52 0.00 0.00 55.73 54.56 2yu4 s ARG 62 Cb -0.15 -1.63 1.63 0.00 0.52 0.00 0.00 34.95 35.31 2yu4 s ARG 62 CO 0.04 0.44 2.07 -0.22 0.02 0.00 0.00 175.30 177.66 2yu4 h LYS 63 N 5.45 0.00 0.00 3.54 3.64 -1.97 0.24 116.57 127.47 2yu4 h LYS 63 Ca -0.40 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.90 2yu4 h LYS 63 Cb 1.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2yu4 h LYS 63 CO 0.47 0.00 -0.36 0.77 -2.27 0.00 0.00 179.45 178.06 2yu4 h SER 64 N 0.00 0.00 -0.64 4.20 0.02 -2.04 -2.96 113.55 112.12 2yu4 h SER 64 Ca 0.11 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.82 2yu4 h SER 64 Cb 0.59 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.99 2yu4 h SER 64 CO -0.00 0.36 0.30 0.47 -1.14 0.00 0.00 176.83 176.82 2yu4 n ASP 65 N -3.40 4.07 -4.34 3.07 8.00 0.83 -4.87 116.55 119.91 2yu4 n ASP 65 Ca 0.00 -3.04 -0.34 0.00 0.71 0.00 0.00 54.79 52.12 2yu4 n ASP 65 Cb 0.54 -0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 40.79 2yu4 n ASP 65 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2yu4 s LEU 66 N -2.41 2.87 0.27 0.64 1.43 -1.12 -1.46 118.68 118.90 2yu4 s LEU 66 Ca 0.44 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.26 2yu4 s LEU 66 Cb 0.36 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.82 2yu4 s LEU 66 CO 0.10 0.05 -0.07 0.27 0.23 0.00 0.00 176.35 176.93 2yu4 s ILE 67 N 1.04 1.69 -0.21 -0.59 -4.36 -0.72 -5.01 121.20 113.04 2yu4 s ILE 67 Ca 0.00 -2.15 -0.15 0.00 -0.26 0.00 0.00 60.65 58.09 2yu4 s ILE 67 Cb -0.15 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 2yu4 s ILE 67 CO -0.01 -0.33 0.38 -1.10 0.24 0.00 0.00 174.94 174.12 2yu4 s GLN 68 N -3.71 4.15 -0.43 0.37 -0.21 -1.26 -1.58 119.66 116.99 2yu4 s GLN 68 Ca 0.29 0.16 -0.21 0.00 0.02 0.00 0.00 55.36 55.61 2yu4 s GLN 68 Cb 0.03 -3.55 0.02 0.00 1.00 0.00 0.00 33.01 30.51 2yu4 s GLN 68 CO 0.11 -0.07 0.69 0.34 -2.12 0.00 0.00 175.29 174.24 2yu4 s ASP 69 N 1.13 6.37 0.01 5.90 2.15 -0.94 -4.89 116.67 126.39 2yu4 s ASP 69 Ca 0.18 -0.20 -0.19 0.00 0.43 0.00 0.00 52.55 52.77 2yu4 s ASP 69 Cb -0.15 -2.34 -0.23 0.00 -0.30 0.00 0.00 42.92 39.90 2yu4 s ASP 69 CO 0.08 -0.79 1.12 -0.08 -0.17 0.00 0.00 175.17 175.32 2yu4 h GLU 70 N 8.84 0.43 -0.82 4.34 4.81 -1.97 -1.96 114.58 128.26 2yu4 h GLU 70 Ca -0.25 -0.45 0.22 0.00 -0.13 0.00 0.00 59.36 58.74 2yu4 h GLU 70 Cb 1.09 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 2yu4 h GLU 70 CO 0.90 1.11 0.58 0.00 -0.73 0.00 0.00 179.01 180.87 2yu4 h ALA 71 N 0.34 2.57 0.15 2.92 0.00 -1.99 -0.71 119.26 122.54 2yu4 h ALA 71 Ca -0.07 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.47 2yu4 h ALA 71 Cb 1.32 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2yu4 h ALA 71 CO 0.12 -0.81 -1.83 -0.07 0.00 0.00 0.00 179.25 176.65 2yu4 h LEU 72 N 0.13 0.51 0.05 0.00 3.38 -1.94 -3.21 115.31 114.23 2yu4 h LEU 72 Ca 0.40 -0.94 0.02 0.00 0.09 0.00 0.00 57.88 57.46 2yu4 h LEU 72 Cb 1.39 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 2yu4 h LEU 72 CO -0.06 1.81 -0.25 0.03 0.09 0.00 0.00 178.44 180.06 2yu4 h ARG 73 N 0.05 -0.40 0.00 1.13 3.08 -0.40 -1.43 114.38 116.41 2yu4 h ARG 73 Ca -0.38 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.66 2yu4 h ARG 73 Cb 2.04 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 32.17 2yu4 h ARG 73 CO 0.12 -0.26 -0.19 0.00 -1.07 0.00 0.00 179.97 178.57 2yu4 h ARG 74 N -0.41 0.00 0.35 0.04 3.08 -1.37 -3.00 114.38 113.07 2yu4 h ARG 74 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2yu4 h ARG 74 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2yu4 h ARG 74 CO -0.18 0.19 -0.38 0.00 -1.07 0.00 0.00 179.97 178.52 2yu4 h ALA 75 N 1.81 -0.81 -0.13 0.04 0.00 -1.26 0.27 119.26 119.18 2yu4 h ALA 75 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2yu4 h ALA 75 Cb 0.35 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2yu4 h ALA 75 CO 0.02 -1.00 0.07 0.82 0.00 0.00 0.00 179.25 179.17 2yu4 h ILE 76 N -0.76 1.05 0.00 0.00 2.04 -1.37 -0.85 117.51 117.61 2yu4 h ILE 76 Ca -0.02 -0.12 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 2yu4 h ILE 76 Cb 0.70 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2yu4 h ILE 76 CO -0.09 0.05 -0.50 -0.33 0.00 0.00 0.00 178.15 177.28 2yu4 h GLU 77 N 0.18 0.00 0.00 2.37 5.08 -1.23 -1.98 114.58 119.00 2yu4 h GLU 77 Ca 0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 2yu4 h GLU 77 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2yu4 h GLU 77 CO -0.01 0.50 -0.86 -0.97 -1.00 0.00 0.00 179.01 176.67 2yu4 h ASN 78 N 0.00 0.00 1.36 1.42 -1.24 0.36 -2.49 115.58 114.98 2yu4 h ASN 78 Ca -0.01 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.87 2yu4 h ASN 78 Cb 0.92 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.95 2yu4 h ASN 78 CO 0.07 0.61 -0.65 -0.74 -1.29 0.00 0.00 177.43 175.43 2yu4 h HIS 79 N 0.00 0.00 0.00 0.67 2.76 -1.08 -3.20 115.15 114.30 2yu4 h HIS 79 Ca -0.06 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 57.99 2yu4 h HIS 79 Cb 1.52 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.46 2yu4 h HIS 79 CO 0.00 0.61 -0.67 -0.97 -1.30 0.00 0.00 177.93 175.61 2yu4 h ASN 80 N 0.00 0.00 -0.80 3.26 -0.73 -1.42 -3.35 115.58 112.54 2yu4 h ASN 80 Ca -0.01 -0.68 0.23 0.00 1.87 0.00 0.00 56.30 57.71 2yu4 h ASN 80 Cb 1.48 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 40.04 2yu4 h ASN 80 CO 0.08 1.23 0.58 0.07 -0.37 0.00 0.00 177.43 179.02 2yu4 h LYS 81 N -1.00 0.01 -0.67 6.67 5.09 -1.58 0.17 116.57 125.25 2yu4 h LYS 81 Ca -0.18 -0.00 0.12 0.00 0.09 0.00 0.00 60.65 60.68 2yu4 h LYS 81 Cb 1.11 -0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.40 2yu4 h LYS 81 CO -0.11 0.00 0.45 -0.22 -2.09 0.00 0.00 179.45 177.48 2yu4 h LYS 82 N 0.01 0.40 -7.38 0.07 1.63 -1.68 -3.42 116.57 106.20 2yu4 h LYS 82 Ca 0.38 -0.02 -0.44 0.00 -0.85 0.00 0.00 60.65 59.71 2yu4 h LYS 82 Cb 1.53 -0.09 0.16 0.00 -0.60 0.00 0.00 32.23 33.23 2yu4 h LYS 82 CO -0.01 0.27 0.19 1.03 -3.45 0.00 0.00 179.45 177.48 2yu4 s ARG 83 N -5.40 0.10 0.02 1.90 1.81 0.58 -5.04 118.95 112.92 2yu4 s ARG 83 Ca -0.08 0.35 -0.01 0.00 -1.72 0.00 0.00 55.73 54.28 2yu4 s ARG 83 Cb 0.20 -1.71 -0.00 0.00 -0.45 0.00 0.00 34.95 32.99 2yu4 s ARG 83 CO 0.76 -2.91 -0.01 0.72 -0.68 0.00 0.00 175.30 173.17 2yu4 n HIS 84 N -4.27 0.00 -1.24 -0.53 8.25 -1.26 -5.07 115.22 111.09 2yu4 n HIS 84 Ca 0.07 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.69 2yu4 n HIS 84 Cb 0.58 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.62 2yu4 n HIS 84 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2yu4 n ARG 85 N -2.80 -2.59 -1.06 -0.41 0.63 -1.26 -4.99 116.66 104.17 2yu4 n ARG 85 Ca -0.00 1.82 0.14 0.00 -0.92 0.00 0.00 57.85 58.89 2yu4 n ARG 85 Cb 0.02 -3.13 -0.04 0.00 0.45 0.00 0.00 32.46 29.76 2yu4 n ARG 85 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2yu4 n HIS 86 N -3.92 -3.21 -3.09 -0.14 -0.00 -1.26 -4.47 115.22 99.13 2yu4 n HIS 86 Ca -0.01 1.32 -0.45 0.00 0.46 0.00 0.00 57.72 59.04 2yu4 n HIS 86 Cb 0.57 -2.37 -0.04 0.00 -0.12 0.00 0.00 29.99 28.03 2yu4 n HIS 86 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2yu4 s SER 87 N -6.31 6.30 -0.47 0.26 0.01 -1.26 -4.90 113.70 107.33 2yu4 s SER 87 Ca 0.00 -1.62 0.06 0.00 1.31 0.00 0.00 55.95 55.69 2yu4 s SER 87 Cb 0.00 -2.31 0.40 0.00 0.21 0.00 0.00 66.02 64.32 2yu4 s SER 87 CO 0.00 -1.07 1.05 -0.62 0.41 0.00 0.00 173.24 173.01 2yu4 n GLU 88 N 6.20 3.22 -2.46 12.44 1.02 -1.26 -5.07 120.64 134.73 2yu4 n GLU 88 Ca -0.02 -4.52 -0.27 0.00 -0.02 0.00 0.00 57.16 52.32 2yu4 n GLU 88 Cb 0.44 -2.19 0.01 0.00 -0.02 0.00 0.00 31.44 29.69 2yu4 n GLU 88 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yu4 s SER 89 N -3.48 5.97 -0.43 1.62 0.15 -1.26 -5.07 113.70 111.20 2yu4 s SER 89 Ca 0.47 0.88 0.05 0.00 0.70 0.00 0.00 55.95 58.05 2yu4 s SER 89 Cb 0.37 -2.03 0.17 0.00 -1.71 0.00 0.00 66.02 62.82 2yu4 s SER 89 CO -0.16 -0.82 0.47 -0.83 1.20 0.00 0.00 173.24 173.10 2yu4 s GLY 90 N -4.20 0.05 0.31 9.45 0.00 -1.26 -4.99 107.32 106.68 2yu4 s GLY 90 Ca 0.51 -1.34 0.09 0.00 0.00 0.00 0.00 44.72 43.99 2yu4 s GLY 90 CO 0.46 2.79 1.70 -0.56 0.00 0.00 0.00 173.10 177.49 2yu4 h PRO 91 N 5.97 0.09 -6.21 2.90 0.13 -2.06 -3.44 132.00 129.38 2yu4 h PRO 91 Ca 0.13 -0.05 -0.58 0.00 -0.87 0.00 0.00 66.00 64.64 2yu4 h PRO 91 Cb 1.02 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.16 2yu4 h PRO 91 CO 0.20 0.56 1.28 0.43 -0.23 0.00 0.00 178.00 180.24 2yu4 n SER 92 N -3.97 3.60 -4.65 1.44 7.64 -1.26 -4.94 113.62 111.48 2yu4 n SER 92 Ca -0.02 0.70 -0.38 0.00 1.01 0.00 0.00 58.87 60.18 2yu4 n SER 92 Cb 0.51 -1.47 -0.08 0.00 -1.01 0.00 0.00 64.21 62.16 2yu4 n SER 92 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yu4 s SER 93 N 5.59 6.41 0.00 6.43 0.15 -1.26 -5.27 113.70 125.74 2yu4 s SER 93 Ca 0.95 0.48 0.00 0.00 0.70 0.00 0.00 55.95 58.08 2yu4 s SER 93 Cb -0.51 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2yu4 s SER 93 CO 0.43 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.37