#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 1.96 -1.46 1.61 2.88 -1.26 -4.63 113.62 112.72 2yu4 n SER 2 Ca 0.00 -0.26 0.20 0.00 -1.33 0.00 0.00 58.87 57.48 2yu4 n SER 2 Cb 0.00 -1.43 -0.05 0.00 -0.75 0.00 0.00 64.21 61.98 2yu4 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yu4 n SER 3 N 14.13 -8.69 0.00 -3.46 7.64 -1.26 -5.05 113.62 116.93 2yu4 n SER 3 Ca 0.43 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2yu4 n SER 3 Cb 0.41 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 2yu4 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu4 n GLY 4 N -4.29 0.63 0.17 0.23 0.00 -1.26 -4.89 105.19 95.79 2yu4 n GLY 4 Ca -0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 2yu4 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yu4 n SER 5 N 0.00 3.23 -0.77 1.61 3.41 -1.26 -5.13 113.62 114.71 2yu4 n SER 5 Ca 0.00 -0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.62 2yu4 n SER 5 Cb 0.00 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2yu4 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yu4 n SER 6 N -2.63 -4.64 0.00 4.04 2.88 -1.26 -4.99 113.62 107.02 2yu4 n SER 6 Ca -0.03 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2yu4 n SER 6 Cb 0.53 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2yu4 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu4 n GLY 7 N -0.37 -0.37 2.68 0.46 0.00 -1.26 -4.92 105.19 101.42 2yu4 n GLY 7 Ca 0.00 -1.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 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 0.17 -0.03 1.61 0.40 -1.26 -5.11 117.98 113.76 2yu4 s PHE 8 Ca 0.00 0.17 0.07 0.00 -0.60 0.00 0.00 56.93 56.56 2yu4 s PHE 8 Cb 0.00 -0.54 -0.02 0.00 0.51 0.00 0.00 43.02 42.97 2yu4 s PHE 8 CO 0.00 -0.22 -0.23 0.95 0.70 0.00 0.00 175.22 176.42 2yu4 s THR 9 N 2.14 1.82 -0.03 0.64 -4.23 -1.26 -2.02 115.64 112.69 2yu4 s THR 9 Ca 0.05 -0.97 -0.26 0.00 -1.18 0.00 0.00 61.69 59.32 2yu4 s THR 9 Cb -0.12 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 2yu4 s THR 9 CO -0.04 0.51 0.82 0.00 -0.54 0.00 0.00 174.62 175.38 2yu4 n PRO 11 N 3.77 0.07 -0.02 0.00 -0.04 -1.26 -0.36 135.00 137.15 2yu4 n PRO 11 Ca 0.02 0.22 -0.02 0.00 -0.04 0.00 0.00 63.50 63.68 2yu4 n PRO 11 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.36 0.28 0.52 5.41 -1.26 -4.58 119.36 118.66 2yu4 n ILE 12 Ca 0.05 0.41 0.17 0.00 1.00 0.00 0.00 62.75 64.38 2yu4 n ILE 12 Cb 0.15 -1.71 0.67 0.00 -0.71 0.00 0.00 39.64 38.04 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 -0.24 0.00 -4.75 1.39 1.35 -1.97 -3.46 112.91 105.22 2yu4 h THR 13 Ca 0.00 -0.53 -0.33 0.00 -0.55 0.00 0.00 66.41 65.00 2yu4 h THR 13 Cb 0.23 1.53 0.10 0.00 -1.73 0.00 0.00 68.15 68.28 2yu4 h THR 13 CO 0.00 0.00 -0.55 0.29 -0.25 0.00 0.00 175.52 175.01 2yu4 n LYS 14 N -3.09 -6.10 -3.30 4.72 4.76 0.51 -5.00 118.16 110.66 2yu4 n LYS 14 Ca 0.01 0.70 -0.11 0.00 -2.87 0.00 0.00 58.31 56.03 2yu4 n LYS 14 Cb 0.31 -5.29 -0.04 0.00 -1.84 0.00 0.00 35.03 28.18 2yu4 n LYS 14 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2yu4 n GLU 15 N -4.07 0.33 -2.12 1.97 1.02 -1.24 -4.88 120.64 111.65 2yu4 n GLU 15 Ca -0.01 -1.99 -0.37 0.00 -0.02 0.00 0.00 57.16 54.76 2yu4 n GLU 15 Cb 0.56 1.73 0.01 0.00 -0.02 0.00 0.00 31.44 33.72 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 -2.73 3.46 -0.09 3.49 2.12 -1.26 -0.39 118.70 123.29 2yu4 s GLU 16 Ca 0.23 1.87 -0.02 0.00 0.36 0.00 0.00 54.97 57.40 2yu4 s GLU 16 Cb 0.01 -2.26 -0.03 0.00 0.26 0.00 0.00 34.13 32.11 2yu4 s GLU 16 CO 0.16 -0.82 0.00 -1.64 -0.54 0.00 0.00 175.26 172.42 2yu4 s MET 17 N -2.90 3.07 -0.04 4.30 -1.94 -0.86 -4.76 119.30 116.17 2yu4 s MET 17 Ca 0.68 -0.40 0.03 0.00 -1.71 0.00 0.00 55.69 54.29 2yu4 s MET 17 Cb -0.31 -2.83 -0.05 0.00 2.01 0.00 0.00 34.83 33.66 2yu4 s MET 17 CO 0.36 0.66 0.01 1.63 -0.01 0.00 0.00 175.02 177.67 2yu4 n LYS 18 N 2.28 3.14 -3.81 2.03 4.76 -1.26 -4.87 118.16 120.43 2yu4 n LYS 18 Ca -0.18 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 54.97 2yu4 n LYS 18 Cb 0.54 -1.10 -0.12 0.00 -1.84 0.00 0.00 35.03 32.50 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 -2.09 1.97 0.07 1.97 1.02 -1.26 -4.97 119.74 116.44 2yu4 s LYS 19 Ca -0.02 -2.83 -0.31 0.00 0.02 0.00 0.00 55.97 52.83 2yu4 s LYS 19 Cb 0.01 -2.95 -0.07 0.00 -0.52 0.00 0.00 37.83 34.30 2yu4 s LYS 19 CO 0.16 -1.25 1.40 -1.25 -0.92 0.00 0.00 175.35 173.48 2yu4 s PRO 20 N -0.74 4.31 -0.15 -1.68 0.04 -1.26 -1.25 135.00 134.27 2yu4 s PRO 20 Ca 0.23 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.32 2yu4 s PRO 20 Cb -0.10 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.05 2yu4 s PRO 20 CO -0.11 -0.49 -0.20 0.14 0.04 0.00 0.00 177.00 176.37 2yu4 s VAL 21 N 1.66 1.97 -0.02 -0.36 -7.23 0.88 -2.04 120.40 115.26 2yu4 s VAL 21 Ca 0.64 -0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 59.79 2yu4 s VAL 21 Cb -0.34 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 2yu4 s VAL 21 CO 0.29 0.53 0.32 -0.75 -0.31 0.00 0.00 175.10 175.18 2yu4 s LYS 22 N 0.98 3.73 0.27 4.82 2.20 -0.41 -1.66 119.74 129.67 2yu4 s LYS 22 Ca -0.04 0.19 -0.11 0.00 -0.36 0.00 0.00 55.97 55.65 2yu4 s LYS 22 Cb -0.15 -3.17 -0.08 0.00 -1.51 0.00 0.00 37.83 32.93 2yu4 s LYS 22 CO -0.05 0.70 0.62 1.21 -0.36 0.00 0.00 175.35 177.47 2yu4 s ASN 23 N -1.21 6.66 0.17 1.43 3.84 -0.84 -1.68 114.94 123.30 2yu4 s ASN 23 Ca 0.23 1.04 0.19 0.00 0.21 0.00 0.00 52.86 54.53 2yu4 s ASN 23 Cb -0.15 -2.27 -0.03 0.00 -0.55 0.00 0.00 41.25 38.25 2yu4 s ASN 23 CO 0.12 -0.14 1.03 0.11 -2.79 0.00 0.00 177.10 175.42 2yu4 h LYS 24 N 2.31 0.00 0.03 0.43 1.57 -1.13 -3.00 116.57 116.78 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 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2yu4 h LYS 24 CO 0.67 0.18 -0.02 0.28 -0.57 0.00 0.00 179.45 180.00 2yu4 h VAL 25 N 0.00 0.00 0.00 0.50 2.07 -1.92 -3.43 116.25 113.47 2yu4 h VAL 25 Ca -0.07 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2yu4 h VAL 25 Cb 1.29 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2yu4 h VAL 25 CO 0.03 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.43 2yu4 n GLY 27 N 1.74 1.62 3.23 0.00 0.00 -1.13 -5.01 105.19 105.64 2yu4 n GLY 27 Ca -0.03 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 -2.08 -4.42 1.61 8.25 -1.26 -4.19 115.22 113.13 2yu4 n HIS 28 Ca 0.00 -0.13 -0.19 0.00 -0.26 0.00 0.00 57.72 57.13 2yu4 n HIS 28 Cb 0.00 -1.50 -0.14 0.00 1.12 0.00 0.00 29.99 29.47 2yu4 n HIS 28 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2yu4 s THR 29 N -2.20 0.85 0.32 1.59 2.01 -1.26 -1.98 115.64 114.97 2yu4 s THR 29 Ca 0.55 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.03 2yu4 s THR 29 Cb -0.13 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 2yu4 s THR 29 CO 0.56 0.18 0.33 -0.31 -0.69 0.00 0.00 174.62 174.69 2yu4 s TYR 30 N -0.37 1.40 0.29 4.92 2.02 -0.67 -4.91 117.35 120.03 2yu4 s TYR 30 Ca 0.03 -1.47 -0.21 0.00 -0.37 0.00 0.00 57.07 55.05 2yu4 s TYR 30 Cb -0.05 -0.45 -0.09 0.00 -0.40 0.00 0.00 41.96 40.97 2yu4 s TYR 30 CO -0.00 -0.94 0.81 -2.00 -1.57 0.00 0.00 175.55 171.85 2yu4 s GLU 31 N -3.42 4.29 0.02 -0.62 2.12 -1.26 -0.08 118.70 119.74 2yu4 s GLU 31 Ca 0.36 0.98 -0.07 0.00 0.36 0.00 0.00 54.97 56.61 2yu4 s GLU 31 Cb 0.02 -2.70 -0.03 0.00 0.26 0.00 0.00 34.13 31.68 2yu4 s GLU 31 CO 0.23 0.27 1.10 1.49 -0.54 0.00 0.00 175.26 177.81 2yu4 h GLU 32 N 2.97 -0.17 -0.95 4.30 4.81 -1.54 0.21 114.58 124.20 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 0.00 179.01 179.05 2yu4 h ASP 33 N -0.18 0.04 0.45 1.04 5.19 -1.95 0.29 116.42 121.31 2yu4 h ASP 33 Ca -0.01 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 2yu4 h ASP 33 Cb 0.16 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.67 2yu4 h ASP 33 CO -0.02 0.01 -0.22 0.00 -3.12 0.00 0.00 179.24 175.90 2yu4 h ALA 34 N 1.54 -0.73 0.00 3.45 0.00 -1.77 0.25 119.26 122.00 2yu4 h ALA 34 Ca 0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2yu4 h ALA 34 Cb 1.76 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2yu4 h ALA 34 CO -0.03 -0.68 -0.01 0.97 0.00 0.00 0.00 179.25 179.50 2yu4 h ILE 35 N -0.96 0.08 0.16 0.00 6.09 0.07 0.26 117.51 123.22 2yu4 h ILE 35 Ca -0.06 -0.19 -0.33 0.00 -1.37 0.00 0.00 64.86 62.90 2yu4 h ILE 35 Cb 0.47 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.93 2yu4 h ILE 35 CO 0.10 0.01 -1.66 0.58 -3.07 0.00 0.00 178.15 174.12 2yu4 h VAL 36 N 0.00 1.03 0.00 2.19 2.07 -0.42 -3.07 116.25 118.04 2yu4 h VAL 36 Ca -0.00 -2.63 -0.09 0.00 0.82 0.00 0.00 66.70 64.80 2yu4 h VAL 36 Cb 0.17 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 2yu4 h VAL 36 CO 0.00 0.83 -0.57 0.08 0.02 0.00 0.00 177.57 177.94 2yu4 h ARG 37 N 0.09 0.00 0.12 1.57 0.11 0.08 -3.14 114.38 113.22 2yu4 h ARG 37 Ca -0.30 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.77 2yu4 h ARG 37 Cb 2.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.15 2yu4 h ARG 37 CO 0.17 0.36 -0.06 1.98 0.10 0.00 0.00 179.97 182.53 2yu4 h MET 38 N 0.00 -0.16 -0.85 0.08 4.05 -0.62 -1.71 114.93 115.72 2yu4 h MET 38 Ca -0.02 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.48 2yu4 h MET 38 Cb 1.33 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 32.11 2yu4 h MET 38 CO 0.05 0.29 0.55 0.82 0.23 0.00 0.00 176.91 178.85 2yu4 h ILE 39 N -0.90 1.02 0.00 1.77 2.04 -1.67 0.28 117.51 120.05 2yu4 h ILE 39 Ca -0.02 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 2yu4 h ILE 39 Cb 0.53 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2yu4 h ILE 39 CO 0.03 0.16 -0.64 -0.33 0.00 0.00 0.00 178.15 177.37 2yu4 h GLU 40 N 0.90 0.00 0.00 2.37 5.08 -1.62 -1.57 114.58 119.74 2yu4 h GLU 40 Ca 0.38 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 2yu4 h GLU 40 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2yu4 h GLU 40 CO -0.14 0.64 -0.55 0.77 -1.00 0.00 0.00 179.01 178.73 2yu4 h SER 41 N 0.00 0.00 0.00 1.42 0.02 -0.15 -3.19 113.55 111.65 2yu4 h SER 41 Ca -0.01 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2yu4 h SER 41 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2yu4 h SER 41 CO 0.08 0.36 -0.50 0.03 -1.14 0.00 0.00 176.83 175.66 2yu4 h ARG 42 N 0.00 0.00 -0.51 3.45 2.47 -0.42 -3.31 114.38 116.06 2yu4 h ARG 42 Ca -0.02 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.79 2yu4 h ARG 42 Cb 1.30 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.54 2yu4 h ARG 42 CO 0.04 0.88 0.03 1.96 0.56 0.00 0.00 179.97 183.44 2yu4 h GLN 43 N -1.00 0.15 -0.20 0.04 1.08 -1.43 0.35 115.11 114.10 2yu4 h GLN 43 Ca -0.13 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.12 2yu4 h GLN 43 Cb 1.02 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 2yu4 h GLN 43 CO -0.08 0.10 0.23 1.57 -0.95 0.00 0.00 178.83 179.70 2yu4 h LYS 44 N 0.15 0.00 -0.58 1.46 5.09 -1.72 0.24 116.57 121.21 2yu4 h LYS 44 Ca 0.26 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.81 2yu4 h LYS 44 Cb 0.38 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 32.60 2yu4 h LYS 44 CO -0.40 0.00 0.18 0.54 -2.09 0.00 0.00 179.45 177.68 2yu4 n ARG 45 N -3.73 3.08 -2.48 0.07 5.12 0.85 -4.91 116.66 114.66 2yu4 n ARG 45 Ca 0.02 -3.06 -0.13 0.00 -1.93 0.00 0.00 57.85 52.75 2yu4 n ARG 45 Cb 0.36 -2.06 -0.01 0.00 -1.16 0.00 0.00 32.46 29.59 2yu4 n ARG 45 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2yu4 n LYS 46 N -0.50 -2.29 -2.08 5.56 5.02 0.83 -4.94 118.16 119.76 2yu4 n LYS 46 Ca 0.37 0.60 -0.10 0.00 -2.02 0.00 0.00 58.31 57.16 2yu4 n LYS 46 Cb 1.24 -5.21 0.02 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 -2.86 0.90 -4.16 1.97 5.02 0.85 -4.97 118.16 114.91 2yu4 n LYS 47 Ca -0.14 -1.47 -0.16 0.00 -2.02 0.00 0.00 58.31 54.52 2yu4 n LYS 47 Cb 0.61 -0.04 -0.11 0.00 -0.02 0.00 0.00 35.03 35.47 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 -3.16 0.80 -0.42 1.97 -2.85 -1.26 -4.06 119.74 110.76 2yu4 s LYS 48 Ca 0.24 -1.02 -0.29 0.00 -1.00 0.00 0.00 55.97 53.90 2yu4 s LYS 48 Cb -0.02 -0.63 0.02 0.00 -2.06 0.00 0.00 37.83 35.15 2yu4 s LYS 48 CO 0.15 0.12 1.10 0.00 0.10 0.00 0.00 175.35 176.82 2yu4 s ALA 49 N -1.82 3.29 0.17 0.59 0.00 -1.26 -4.98 121.76 117.74 2yu4 s ALA 49 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 51.70 2yu4 s ALA 49 Cb -0.07 -3.79 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 2yu4 s ALA 49 CO 0.01 -1.95 -0.08 1.52 0.00 0.00 0.00 175.76 175.26 2yu4 s TYR 50 N 4.10 2.69 -0.58 0.00 1.13 -1.26 -0.12 117.35 123.30 2yu4 s TYR 50 Ca 0.46 -0.20 -0.31 0.00 -1.41 0.00 0.00 57.07 55.62 2yu4 s TYR 50 Cb -0.09 -1.33 -0.13 0.00 -1.10 0.00 0.00 41.96 39.31 2yu4 s TYR 50 CO 0.25 0.50 2.42 0.00 -2.51 0.00 0.00 175.55 176.21 2yu4 n PRO 52 N 8.58 0.15 -1.79 0.00 -0.04 -1.26 -4.68 135.00 135.96 2yu4 n PRO 52 Ca 0.47 0.39 -0.39 0.00 -0.04 0.00 0.00 63.50 63.92 2yu4 n PRO 52 Cb 0.29 -1.79 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -3.25 2.68 -0.40 0.54 2.00 -1.26 -4.87 119.66 115.11 2yu4 s GLN 53 Ca 0.05 1.31 -0.34 0.00 -2.00 0.00 0.00 55.36 54.39 2yu4 s GLN 53 Cb 0.09 -4.41 -0.11 0.00 0.80 0.00 0.00 33.01 29.38 2yu4 s GLN 53 CO 0.36 -2.63 2.25 -0.89 -0.50 0.00 0.00 175.29 173.88 2yu4 n ILE 54 N 7.63 0.16 0.00 -2.34 -0.00 -1.26 -1.30 119.36 122.24 2yu4 n ILE 54 Ca 0.28 -0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 2yu4 n ILE 54 Cb 0.51 -1.74 0.00 0.00 -0.00 0.00 0.00 39.64 38.41 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 6.45 1.51 3.86 7.39 0.00 -1.26 -5.13 105.19 118.01 2yu4 n GLY 55 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.21 0.52 -4.63 0.00 2.88 -1.26 -4.99 113.62 104.93 2yu4 n SER 57 Ca 0.04 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.24 2yu4 n SER 57 Cb 0.54 1.55 0.11 0.00 -0.75 0.00 0.00 64.21 65.67 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 -2.36 0.74 -2.36 0.66 -0.00 -1.26 -4.96 115.22 105.67 2yu4 n HIS 58 Ca -0.13 0.38 -0.03 0.00 -0.00 0.00 0.00 57.72 57.94 2yu4 n HIS 58 Cb 0.72 -2.06 0.01 0.00 -0.00 0.00 0.00 29.99 28.67 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 -3.10 0.14 -3.57 3.57 -2.24 -1.26 -3.39 114.28 104.42 2yu4 n THR 59 Ca 0.13 -0.77 -0.29 0.00 -2.27 0.00 0.00 64.05 60.85 2yu4 n THR 59 Cb 0.50 0.81 -0.15 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.51 3.61 -0.07 3.42 -1.08 -1.24 -4.40 116.67 115.40 2yu4 s ASP 60 Ca 0.11 -1.41 0.03 0.00 -0.52 0.00 0.00 52.55 50.76 2yu4 s ASP 60 Cb 0.23 -0.45 0.01 0.00 -1.46 0.00 0.00 42.92 41.24 2yu4 s ASP 60 CO -0.07 -0.43 -0.15 -0.63 0.52 0.00 0.00 175.17 174.41 2yu4 s ILE 61 N 1.95 1.35 -0.04 4.11 1.01 0.83 -4.84 121.20 125.57 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 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 2yu4 s ILE 61 CO -0.33 0.40 -0.24 -0.13 0.00 0.00 0.00 174.94 174.64 2yu4 s ARG 62 N 0.47 2.36 0.59 2.79 0.52 -1.26 -4.34 118.95 120.08 2yu4 s ARG 62 Ca -0.13 -0.89 0.28 0.00 -0.52 0.00 0.00 55.73 54.47 2yu4 s ARG 62 Cb -0.15 -2.14 1.60 0.00 0.52 0.00 0.00 34.95 34.79 2yu4 s ARG 62 CO 0.04 0.48 2.05 -0.22 0.02 0.00 0.00 175.30 177.68 2yu4 h LYS 63 N 5.75 0.00 0.00 3.54 3.64 -1.97 0.24 116.57 127.76 2yu4 h LYS 63 Ca -0.38 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.94 2yu4 h LYS 63 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2yu4 h LYS 63 CO 0.48 0.00 -0.29 0.77 -2.27 0.00 0.00 179.45 178.13 2yu4 h SER 64 N 0.00 0.00 -0.54 4.20 0.02 -2.04 -2.63 113.55 112.57 2yu4 h SER 64 Ca 0.12 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 2yu4 h SER 64 Cb 0.65 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.12 2yu4 h SER 64 CO -0.00 0.29 0.15 0.47 -1.14 0.00 0.00 176.83 176.60 2yu4 n ASP 65 N -3.54 4.33 -4.66 3.07 8.00 0.84 -4.90 116.55 119.70 2yu4 n ASP 65 Ca -0.00 -2.87 -0.35 0.00 0.71 0.00 0.00 54.79 52.28 2yu4 n ASP 65 Cb 0.44 -0.68 -0.09 0.00 -0.02 0.00 0.00 41.12 40.76 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 -2.24 3.79 0.13 0.64 1.43 -0.99 -0.45 118.68 120.99 2yu4 s LEU 66 Ca 0.42 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 2yu4 s LEU 66 Cb 0.33 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2yu4 s LEU 66 CO 0.11 0.23 -0.03 0.27 0.23 0.00 0.00 176.35 177.16 2yu4 s ILE 67 N 0.03 0.68 -0.26 -0.59 -4.36 -0.68 -5.00 121.20 111.02 2yu4 s ILE 67 Ca 0.05 -1.96 -0.18 0.00 -0.26 0.00 0.00 60.65 58.30 2yu4 s ILE 67 Cb -0.12 -1.90 -0.03 0.00 1.25 0.00 0.00 42.46 41.66 2yu4 s ILE 67 CO 0.01 -0.67 0.52 -1.10 0.24 0.00 0.00 174.94 173.93 2yu4 s GLN 68 N -3.88 4.05 -0.16 0.37 -0.21 -1.26 -1.29 119.66 117.29 2yu4 s GLN 68 Ca 0.18 0.30 -0.25 0.00 0.02 0.00 0.00 55.36 55.61 2yu4 s GLN 68 Cb 0.06 -3.66 -0.02 0.00 1.00 0.00 0.00 33.01 30.39 2yu4 s GLN 68 CO -0.00 -0.37 0.81 0.34 -2.12 0.00 0.00 175.29 173.95 2yu4 s ASP 69 N 1.56 6.95 -0.18 5.90 -1.08 -0.87 -4.91 116.67 124.04 2yu4 s ASP 69 Ca 0.21 1.16 -0.17 0.00 -0.52 0.00 0.00 52.55 53.23 2yu4 s ASP 69 Cb -0.16 -2.44 -0.21 0.00 -1.46 0.00 0.00 42.92 38.65 2yu4 s ASP 69 CO 0.09 -0.36 0.24 1.21 0.52 0.00 0.00 175.17 176.87 2yu4 n GLU 70 N 5.04 0.63 0.08 4.34 2.13 -1.26 -2.87 120.64 128.73 2yu4 n GLU 70 Ca 0.03 0.46 0.19 0.00 0.66 0.00 0.00 57.16 58.51 2yu4 n GLU 70 Cb 0.49 -1.73 0.75 0.00 0.27 0.00 0.00 31.44 31.22 2yu4 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2yu4 h ALA 71 N -0.33 2.19 0.08 4.31 0.00 -2.00 -0.60 119.26 122.91 2yu4 h ALA 71 Ca -0.39 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.17 2yu4 h ALA 71 Cb 1.55 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2yu4 h ALA 71 CO -0.12 -0.56 -1.85 1.25 0.00 0.00 0.00 179.25 177.96 2yu4 h LEU 72 N 0.00 0.28 0.59 0.00 6.46 -1.97 -3.31 115.31 117.35 2yu4 h LEU 72 Ca 0.19 -0.60 -0.03 0.00 -0.12 0.00 0.00 57.88 57.32 2yu4 h LEU 72 Cb 0.91 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 40.75 2yu4 h LEU 72 CO -0.00 1.53 -0.28 0.03 -0.62 0.00 0.00 178.44 179.10 2yu4 h ARG 73 N 0.05 -0.76 -0.63 1.25 3.08 -1.02 -2.54 114.38 113.81 2yu4 h ARG 73 Ca -0.36 0.05 0.15 0.00 0.07 0.00 0.00 59.98 59.89 2yu4 h ARG 73 Cb 2.03 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 32.22 2yu4 h ARG 73 CO 0.09 -0.49 0.44 0.00 -1.07 0.00 0.00 179.97 178.94 2yu4 h ARG 74 N -0.84 0.19 -0.20 0.04 3.08 -1.43 -1.27 114.38 113.95 2yu4 h ARG 74 Ca -0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2yu4 h ARG 74 Cb 0.62 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2yu4 h ARG 74 CO 0.13 0.12 0.13 0.00 -1.07 0.00 0.00 179.97 179.29 2yu4 h ALA 75 N 1.69 0.26 0.00 0.04 0.00 -1.55 0.45 119.26 120.16 2yu4 h ALA 75 Ca 0.30 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2yu4 h ALA 75 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2yu4 h ALA 75 CO -0.05 -0.25 -0.28 0.82 0.00 0.00 0.00 179.25 179.49 2yu4 h ILE 76 N 0.26 1.05 0.00 0.00 2.04 -1.00 -2.50 117.51 117.36 2yu4 h ILE 76 Ca 0.07 -0.99 -0.22 0.00 1.00 0.00 0.00 64.86 64.72 2yu4 h ILE 76 Cb -0.01 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2yu4 h ILE 76 CO -0.02 0.27 -0.94 -0.33 0.00 0.00 0.00 178.15 177.14 2yu4 h GLU 77 N 0.00 0.39 0.00 2.37 5.08 -0.93 -1.80 114.58 119.69 2yu4 h GLU 77 Ca -0.00 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 57.84 2yu4 h GLU 77 Cb 0.54 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2yu4 h GLU 77 CO 0.04 1.09 -0.44 -0.97 -1.00 0.00 0.00 179.01 177.73 2yu4 h ASN 78 N 0.22 0.00 0.53 1.42 -0.73 -0.60 0.12 115.58 116.54 2yu4 h ASN 78 Ca -0.08 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.80 2yu4 h ASN 78 Cb 1.57 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.15 2yu4 h ASN 78 CO 0.16 0.44 -1.46 -0.74 -0.37 0.00 0.00 177.43 175.46 2yu4 h HIS 79 N 0.00 0.38 0.08 0.67 2.76 -1.44 -3.15 115.15 114.45 2yu4 h HIS 79 Ca -0.00 -0.28 -0.28 0.00 -2.20 0.00 0.00 60.37 57.61 2yu4 h HIS 79 Cb 0.84 -0.02 0.02 0.00 1.55 0.00 0.00 27.41 29.80 2yu4 h HIS 79 CO 0.00 1.31 -1.16 -0.91 -1.30 0.00 0.00 177.93 175.86 2yu4 h ASN 80 N 0.06 0.77 0.39 3.26 4.21 -1.22 -3.23 115.58 119.81 2yu4 h ASN 80 Ca -0.21 -0.69 -0.05 0.00 1.21 0.00 0.00 56.30 56.56 2yu4 h ASN 80 Cb 1.99 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 38.94 2yu4 h ASN 80 CO 0.16 1.50 -0.25 0.07 -1.29 0.00 0.00 177.43 177.62 2yu4 h LYS 81 N 0.26 0.00 -0.85 0.81 5.09 -0.89 -2.70 116.57 118.29 2yu4 h LYS 81 Ca -0.15 0.00 0.07 0.00 0.09 0.00 0.00 60.65 60.65 2yu4 h LYS 81 Cb 1.83 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 34.11 2yu4 h LYS 81 CO 0.22 0.25 0.55 -0.22 -2.09 0.00 0.00 179.45 178.16 2yu4 h LYS 82 N 0.00 0.90 -0.04 0.07 1.63 -1.56 -1.67 116.57 115.91 2yu4 h LYS 82 Ca -0.00 -0.05 -0.20 0.00 -0.85 0.00 0.00 60.65 59.54 2yu4 h LYS 82 Cb 0.51 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2yu4 h LYS 82 CO 0.03 0.60 -0.84 -0.09 -3.45 0.00 0.00 179.45 175.70 2yu4 h ARG 83 N 0.93 0.40 -6.24 1.90 2.43 -1.61 -3.44 114.38 108.75 2yu4 h ARG 83 Ca 0.37 -0.38 -0.64 0.00 -0.81 0.00 0.00 59.98 58.52 2yu4 h ARG 83 Cb 0.24 0.10 0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2yu4 h ARG 83 CO -0.14 1.04 1.09 1.58 -1.51 0.00 0.00 179.97 182.03 2yu4 n HIS 84 N -3.78 2.26 -1.75 2.20 -0.00 -0.63 -4.90 115.22 108.62 2yu4 n HIS 84 Ca -0.05 0.09 -0.38 0.00 0.46 0.00 0.00 57.72 57.83 2yu4 n HIS 84 Cb 0.77 -2.63 0.04 0.00 -0.12 0.00 0.00 29.99 28.06 2yu4 n HIS 84 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2yu4 n ARG 85 N 6.56 1.69 -1.32 1.57 5.12 -1.26 -4.74 116.66 124.27 2yu4 n ARG 85 Ca 0.24 0.62 0.17 0.00 -1.93 0.00 0.00 57.85 56.95 2yu4 n ARG 85 Cb 0.27 -2.59 -0.07 0.00 -1.16 0.00 0.00 32.46 28.91 2yu4 n ARG 85 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2yu4 n HIS 86 N -1.06 -3.46 -3.65 -1.55 8.25 -1.26 -4.94 115.22 107.55 2yu4 n HIS 86 Ca 0.11 1.83 -0.18 0.00 -0.26 0.00 0.00 57.72 59.22 2yu4 n HIS 86 Cb 0.45 -3.15 -0.16 0.00 1.12 0.00 0.00 29.99 28.25 2yu4 n HIS 86 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2yu4 s SER 87 N -7.05 0.97 0.99 0.41 0.15 -1.26 -5.07 113.70 102.83 2yu4 s SER 87 Ca 0.00 0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.73 2yu4 s SER 87 Cb 0.00 0.18 0.19 0.00 -1.71 0.00 0.00 66.02 64.68 2yu4 s SER 87 CO 0.00 -0.26 1.09 -1.61 1.20 0.00 0.00 173.24 173.66 2yu4 s GLU 88 N 2.27 0.46 0.04 5.44 0.41 -1.26 -5.03 118.70 121.02 2yu4 s GLU 88 Ca 0.04 1.10 0.03 0.00 -0.41 0.00 0.00 54.97 55.72 2yu4 s GLU 88 Cb -0.13 -1.70 -0.04 0.00 -1.78 0.00 0.00 34.13 30.49 2yu4 s GLU 88 CO -0.06 -2.87 0.01 -1.12 -0.49 0.00 0.00 175.26 170.74 2yu4 s SER 89 N -2.85 5.14 0.10 -0.19 0.01 -1.26 -5.12 113.70 109.53 2yu4 s SER 89 Ca 0.66 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.88 2yu4 s SER 89 Cb -0.22 -1.31 -0.00 0.00 0.21 0.00 0.00 66.02 64.69 2yu4 s SER 89 CO 0.60 0.24 0.04 0.61 0.41 0.00 0.00 173.24 175.14 2yu4 n GLY 90 N 1.03 3.87 0.22 3.44 0.00 -1.26 -5.05 105.19 107.43 2yu4 n GLY 90 Ca -0.13 -1.92 -0.06 0.00 0.00 0.00 0.00 46.02 43.91 2yu4 n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu4 h PRO 91 N 0.00 0.48 -0.88 1.61 0.13 -2.08 -3.43 132.00 127.84 2yu4 h PRO 91 Ca -0.07 -0.25 0.09 0.00 -0.87 0.00 0.00 66.00 64.89 2yu4 h PRO 91 Cb 0.30 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 31.23 2yu4 h PRO 91 CO 0.12 0.83 -0.26 0.45 -0.23 0.00 0.00 178.00 178.90 2yu4 s SER 92 N -6.87 -1.34 0.38 1.44 0.15 -1.26 -5.17 113.70 101.04 2yu4 s SER 92 Ca -0.07 0.44 -0.00 0.00 0.70 0.00 0.00 55.95 57.02 2yu4 s SER 92 Cb 0.12 1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 66.37 2yu4 s SER 92 CO 0.81 -0.25 0.60 -0.55 1.20 0.00 0.00 173.24 175.05 2yu4 s SER 93 N 2.86 6.21 0.00 5.45 0.15 -1.26 -5.25 113.70 121.86 2yu4 s SER 93 Ca 0.15 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2yu4 s SER 93 Cb -0.11 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2yu4 s SER 93 CO -0.23 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.43