#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 6.87 -3.11 1.61 2.88 -1.26 -4.76 113.62 115.86 2yu4 n SER 2 Ca 0.00 -3.08 -0.05 0.00 -1.33 0.00 0.00 58.87 54.40 2yu4 n SER 2 Cb 0.00 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 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 1.40 -7.46 0.00 -3.46 7.64 -1.26 -5.00 113.62 105.49 2yu4 n SER 3 Ca 0.53 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2yu4 n SER 3 Cb 0.49 -4.84 0.00 0.00 -1.01 0.00 0.00 64.21 58.85 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 -1.42 4.61 2.65 0.23 0.00 -1.26 -5.05 105.19 104.96 2yu4 n GLY 4 Ca -0.01 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 2yu4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yu4 s SER 5 N 0.00 1.62 0.07 1.61 1.04 -1.26 -4.92 113.70 111.86 2yu4 s SER 5 Ca 0.00 -0.20 -0.30 0.00 0.48 0.00 0.00 55.95 55.93 2yu4 s SER 5 Cb 0.00 -0.16 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 2yu4 s SER 5 CO 0.00 -0.29 1.10 -0.94 0.98 0.00 0.00 173.24 174.08 2yu4 s SER 6 N 2.16 7.23 0.00 7.02 1.04 -1.26 -4.69 113.70 125.20 2yu4 s SER 6 Ca 0.04 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.38 2yu4 s SER 6 Cb -0.14 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2yu4 s SER 6 CO -0.06 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2yu4 n GLY 7 N 2.80 0.66 2.71 7.32 0.00 -1.26 -5.04 105.19 112.39 2yu4 n GLY 7 Ca 0.06 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 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 0.43 -0.01 1.61 0.40 -1.26 -5.12 117.98 114.03 2yu4 s PHE 8 Ca 0.00 -0.10 0.07 0.00 -0.60 0.00 0.00 56.93 56.30 2yu4 s PHE 8 Cb 0.00 -0.70 -0.02 0.00 0.51 0.00 0.00 43.02 42.81 2yu4 s PHE 8 CO 0.00 -0.33 -0.24 0.95 0.70 0.00 0.00 175.22 176.30 2yu4 s THR 9 N 2.05 1.87 -0.03 0.64 -4.23 -1.26 -2.52 115.64 112.16 2yu4 s THR 9 Ca 0.04 -1.06 -0.27 0.00 -1.18 0.00 0.00 61.69 59.22 2yu4 s THR 9 Cb -0.13 -1.56 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 2yu4 s THR 9 CO -0.05 0.48 0.84 0.00 -0.54 0.00 0.00 174.62 175.35 2yu4 n PRO 11 N 3.81 0.07 -0.01 0.00 -0.04 -1.26 -0.55 135.00 137.02 2yu4 n PRO 11 Ca 0.02 0.22 -0.01 0.00 -0.04 0.00 0.00 63.50 63.70 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 0.11 0.30 0.52 5.41 -1.26 -4.58 119.36 118.43 2yu4 n ILE 12 Ca 0.05 0.47 0.17 0.00 1.00 0.00 0.00 62.75 64.44 2yu4 n ILE 12 Cb 0.15 -1.56 0.73 0.00 -0.71 0.00 0.00 39.64 38.24 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 -0.08 0.00 -3.95 1.39 1.35 -1.97 -3.46 112.91 106.20 2yu4 h THR 13 Ca 0.00 -0.37 -0.34 0.00 -0.55 0.00 0.00 66.41 65.15 2yu4 h THR 13 Cb 0.08 1.31 0.06 0.00 -1.73 0.00 0.00 68.15 67.87 2yu4 h THR 13 CO 0.00 0.00 -0.51 0.29 -0.25 0.00 0.00 175.52 175.05 2yu4 n LYS 14 N -2.92 -4.43 -4.21 4.72 4.76 0.29 -4.99 118.16 111.37 2yu4 n LYS 14 Ca 0.00 0.75 -0.17 0.00 -2.87 0.00 0.00 58.31 56.02 2yu4 n LYS 14 Cb 0.25 -5.30 -0.07 0.00 -1.84 0.00 0.00 35.03 28.07 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 -5.58 1.74 0.63 1.97 2.02 -1.24 -4.87 118.70 113.38 2yu4 s GLU 15 Ca 0.28 -1.88 -0.19 0.00 0.02 0.00 0.00 54.97 53.21 2yu4 s GLU 15 Cb -0.13 0.36 -0.02 0.00 0.10 0.00 0.00 34.13 34.45 2yu4 s GLU 15 CO 0.35 -0.66 1.29 -1.91 0.02 0.00 0.00 175.26 174.34 2yu4 n GLU 16 N -0.56 1.20 -3.69 1.61 2.13 -1.26 -0.27 120.64 119.79 2yu4 n GLU 16 Ca 0.05 0.46 -0.38 0.00 0.66 0.00 0.00 57.16 57.94 2yu4 n GLU 16 Cb 0.62 -2.52 -0.12 0.00 0.27 0.00 0.00 31.44 29.69 2yu4 n GLU 16 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2yu4 s MET 17 N -3.26 2.98 -0.03 5.31 -1.94 -1.05 -4.73 119.30 116.58 2yu4 s MET 17 Ca 0.81 -0.95 0.07 0.00 -1.71 0.00 0.00 55.69 53.91 2yu4 s MET 17 Cb -0.39 -3.53 -0.24 0.00 2.01 0.00 0.00 34.83 32.69 2yu4 s MET 17 CO 0.42 -0.55 0.71 0.87 -0.01 0.00 0.00 175.02 176.46 2yu4 h LYS 18 N 8.31 0.07 -3.04 2.03 1.57 -1.94 -3.41 116.57 120.16 2yu4 h LYS 18 Ca -0.28 -0.12 -0.62 0.00 -1.87 0.00 0.00 60.65 57.76 2yu4 h LYS 18 Cb 1.12 0.05 -0.41 0.00 0.08 0.00 0.00 32.23 33.06 2yu4 h LYS 18 CO 0.62 0.73 -0.65 0.15 -0.57 0.00 0.00 179.45 179.74 2yu4 s LYS 19 N -2.61 2.08 0.06 3.15 1.02 -1.26 -4.99 119.74 117.19 2yu4 s LYS 19 Ca -0.07 -2.94 -0.31 0.00 0.02 0.00 0.00 55.97 52.67 2yu4 s LYS 19 Cb 0.08 -3.06 -0.07 0.00 -0.52 0.00 0.00 37.83 34.26 2yu4 s LYS 19 CO 0.82 -1.25 1.40 -1.25 -0.92 0.00 0.00 175.35 174.14 2yu4 s PRO 20 N -0.90 4.31 -0.16 -1.68 0.04 -1.26 -1.30 135.00 134.06 2yu4 s PRO 20 Ca 0.24 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.32 2yu4 s PRO 20 Cb -0.09 -3.40 0.01 0.00 0.04 0.00 0.00 34.50 31.06 2yu4 s PRO 20 CO -0.12 -0.49 -0.21 0.14 0.04 0.00 0.00 177.00 176.36 2yu4 s VAL 21 N 1.68 2.01 -0.06 -0.36 -7.23 0.87 -2.37 120.40 114.93 2yu4 s VAL 21 Ca 0.64 -0.93 -0.12 0.00 -1.81 0.00 0.00 61.98 59.76 2yu4 s VAL 21 Cb -0.34 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 2yu4 s VAL 21 CO 0.29 0.54 0.31 -0.75 -0.31 0.00 0.00 175.10 175.18 2yu4 s LYS 22 N 1.05 3.84 0.35 4.82 2.20 0.69 -1.74 119.74 130.95 2yu4 s LYS 22 Ca -0.02 0.20 -0.15 0.00 -0.36 0.00 0.00 55.97 55.65 2yu4 s LYS 22 Cb -0.14 -3.25 -0.09 0.00 -1.51 0.00 0.00 37.83 32.84 2yu4 s LYS 22 CO -0.07 0.64 0.77 1.21 -0.36 0.00 0.00 175.35 177.54 2yu4 s ASN 23 N -0.80 6.74 0.13 1.43 3.84 -0.88 -1.42 114.94 123.98 2yu4 s ASN 23 Ca 0.20 1.30 0.17 0.00 0.21 0.00 0.00 52.86 54.74 2yu4 s ASN 23 Cb -0.15 -2.38 -0.08 0.00 -0.55 0.00 0.00 41.25 38.10 2yu4 s ASN 23 CO 0.09 -0.26 0.98 0.11 -2.79 0.00 0.00 177.10 175.23 2yu4 h LYS 24 N 2.02 0.00 0.03 0.43 1.57 -1.48 -3.08 116.57 116.05 2yu4 h LYS 24 Ca -0.48 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.30 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 0.65 0.29 -0.01 0.28 -0.57 0.00 0.00 179.45 180.09 2yu4 h VAL 25 N 0.00 0.00 0.00 0.50 2.07 -1.92 -3.43 116.25 113.46 2yu4 h VAL 25 Ca -0.11 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2yu4 h VAL 25 Cb 1.47 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2yu4 h VAL 25 CO 0.04 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.59 2yu4 n GLY 27 N 1.86 1.44 3.24 0.00 0.00 -1.16 -5.00 105.19 105.56 2yu4 n GLY 27 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.97 -4.51 1.61 8.25 -1.26 -4.21 115.22 113.14 2yu4 n HIS 28 Ca 0.00 -0.09 -0.20 0.00 -0.26 0.00 0.00 57.72 57.17 2yu4 n HIS 28 Cb 0.00 -1.51 -0.15 0.00 1.12 0.00 0.00 29.99 29.45 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 0.91 0.31 1.59 2.01 -1.26 -2.08 115.64 114.91 2yu4 s THR 29 Ca 0.55 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 62.10 2yu4 s THR 29 Cb -0.13 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 2yu4 s THR 29 CO 0.57 0.26 0.30 -0.31 -0.69 0.00 0.00 174.62 174.75 2yu4 s TYR 30 N -0.27 1.49 0.26 4.92 2.02 -0.71 -4.91 117.35 120.15 2yu4 s TYR 30 Ca 0.04 -1.52 -0.19 0.00 -0.37 0.00 0.00 57.07 55.03 2yu4 s TYR 30 Cb -0.04 -0.54 -0.09 0.00 -0.40 0.00 0.00 41.96 40.89 2yu4 s TYR 30 CO -0.00 -0.89 0.75 -2.00 -1.57 0.00 0.00 175.55 171.83 2yu4 s GLU 31 N -3.49 4.22 0.02 -0.62 2.12 -1.26 -0.09 118.70 119.59 2yu4 s GLU 31 Ca 0.38 0.87 -0.07 0.00 0.36 0.00 0.00 54.97 56.51 2yu4 s GLU 31 Cb 0.02 -2.76 -0.03 0.00 0.26 0.00 0.00 34.13 31.62 2yu4 s GLU 31 CO 0.23 0.32 1.10 1.49 -0.54 0.00 0.00 175.26 177.87 2yu4 h GLU 32 N 3.11 -0.18 -0.94 4.30 4.81 -1.56 0.22 114.58 124.34 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 0.43 1.04 5.19 -1.95 0.30 116.42 121.27 2yu4 h ASP 33 Ca -0.01 0.00 -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 39.68 2yu4 h ASP 33 CO -0.02 0.01 -0.21 0.00 -3.12 0.00 0.00 179.24 175.90 2yu4 h ALA 34 N 1.53 -0.70 0.00 3.45 0.00 -1.77 0.25 119.26 122.02 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 1.77 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2yu4 h ALA 34 CO -0.02 -0.66 -0.01 0.97 0.00 0.00 0.00 179.25 179.53 2yu4 h ILE 35 N -0.93 0.06 0.18 0.00 6.09 0.08 0.26 117.51 123.25 2yu4 h ILE 35 Ca -0.06 -0.18 -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 38.91 2yu4 h ILE 35 CO 0.10 0.01 -1.70 0.58 -3.07 0.00 0.00 178.15 174.06 2yu4 h VAL 36 N 0.00 0.99 0.00 2.19 2.07 -0.42 -3.07 116.25 118.00 2yu4 h VAL 36 Ca -0.00 -2.57 -0.11 0.00 0.82 0.00 0.00 66.70 64.84 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 0.85 -0.57 0.08 0.02 0.00 0.00 177.57 177.95 2yu4 h ARG 37 N 0.10 0.00 0.27 1.57 0.11 0.05 -3.12 114.38 113.36 2yu4 h ARG 37 Ca -0.32 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.74 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 0.52 -0.13 1.98 0.10 0.00 0.00 179.97 182.62 2yu4 h MET 38 N 0.00 -0.35 -0.96 0.08 4.05 -0.64 -1.75 114.93 115.37 2yu4 h MET 38 Ca -0.01 0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.58 2yu4 h MET 38 Cb 1.41 0.08 -0.09 0.00 -0.80 0.00 0.00 31.60 32.20 2yu4 h MET 38 CO 0.07 -0.12 0.57 0.82 0.23 0.00 0.00 176.91 178.48 2yu4 h ILE 39 N -1.05 0.81 -0.30 1.77 2.04 -1.68 0.26 117.51 119.37 2yu4 h ILE 39 Ca -0.04 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 2yu4 h ILE 39 Cb 0.39 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2yu4 h ILE 39 CO 0.06 0.15 -0.09 -0.33 0.00 0.00 0.00 178.15 177.94 2yu4 h GLU 40 N 0.83 0.60 -0.67 2.37 5.08 -1.63 -1.72 114.58 119.45 2yu4 h GLU 40 Ca 0.51 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2yu4 h GLU 40 Cb 0.64 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2yu4 h GLU 40 CO -0.32 0.80 0.12 0.77 -1.00 0.00 0.00 179.01 179.38 2yu4 h SER 41 N 0.36 1.05 0.19 1.42 0.02 -0.30 -2.57 113.55 113.71 2yu4 h SER 41 Ca 0.07 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 2yu4 h SER 41 Cb 0.59 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2yu4 h SER 41 CO 0.03 1.03 -0.09 0.03 -1.14 0.00 0.00 176.83 176.70 2yu4 h ARG 42 N 1.02 -0.24 -0.99 3.45 2.47 -0.47 -2.94 114.38 116.67 2yu4 h ARG 42 Ca 0.20 0.02 0.17 0.00 -1.26 0.00 0.00 59.98 59.11 2yu4 h ARG 42 Cb 0.42 0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 28.70 2yu4 h ARG 42 CO 0.01 -0.01 0.60 1.96 0.56 0.00 0.00 179.97 183.08 2yu4 h GLN 43 N -0.44 0.77 -0.43 0.04 4.20 -1.27 0.34 115.11 118.32 2yu4 h GLN 43 Ca -0.03 -0.05 0.11 0.00 0.06 0.00 0.00 58.65 58.75 2yu4 h GLN 43 Cb 0.34 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2yu4 h GLN 43 CO 0.04 0.51 0.30 0.87 -0.67 0.00 0.00 178.83 179.89 2yu4 h LYS 44 N 0.80 0.07 -0.56 1.46 1.79 -1.28 0.90 116.57 119.75 2yu4 h LYS 44 Ca 0.55 -0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.80 2yu4 h LYS 44 Cb 0.79 -0.02 -0.13 0.00 -1.58 0.00 0.00 32.23 31.29 2yu4 h LYS 44 CO -0.36 0.05 0.17 0.54 -1.08 0.00 0.00 179.45 178.77 2yu4 n ARG 45 N -4.43 2.69 -2.41 3.15 5.12 0.83 -4.91 116.66 116.70 2yu4 n ARG 45 Ca 0.07 -3.06 -0.16 0.00 -1.93 0.00 0.00 57.85 52.77 2yu4 n ARG 45 Cb 0.46 -2.00 -0.01 0.00 -1.16 0.00 0.00 32.46 29.74 2yu4 n ARG 45 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2yu4 n LYS 46 N -0.72 -2.00 -2.59 5.56 4.81 0.31 -4.96 118.16 118.57 2yu4 n LYS 46 Ca 0.38 0.77 -0.16 0.00 -0.87 0.00 0.00 58.31 58.43 2yu4 n LYS 46 Cb 1.22 -5.39 0.05 0.00 0.02 0.00 0.00 35.03 30.94 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 -2.88 0.68 -4.36 1.64 5.02 0.83 -4.95 118.16 114.14 2yu4 n LYS 47 Ca -0.19 -2.51 -0.18 0.00 -2.02 0.00 0.00 58.31 53.41 2yu4 n LYS 47 Cb 0.64 -0.19 -0.10 0.00 -0.02 0.00 0.00 35.03 35.36 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 -4.11 1.39 -0.37 1.97 -2.85 -1.26 -3.84 119.74 110.66 2yu4 s LYS 48 Ca 0.49 -1.69 -0.19 0.00 -1.00 0.00 0.00 55.97 53.58 2yu4 s LYS 48 Cb -0.04 -0.87 0.00 0.00 -2.06 0.00 0.00 37.83 34.87 2yu4 s LYS 48 CO 0.31 -0.00 0.57 0.00 0.10 0.00 0.00 175.35 176.32 2yu4 s ALA 49 N -3.21 3.44 0.22 0.59 0.00 -1.26 -4.93 121.76 116.61 2yu4 s ALA 49 Ca 0.27 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.29 2yu4 s ALA 49 Cb 0.04 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2yu4 s ALA 49 CO 0.09 -1.38 -0.09 1.52 0.00 0.00 0.00 175.76 175.90 2yu4 s TYR 50 N 2.54 2.58 -0.59 0.00 1.13 -1.26 -0.75 117.35 121.00 2yu4 s TYR 50 Ca 0.21 -0.25 -0.31 0.00 -1.41 0.00 0.00 57.07 55.31 2yu4 s TYR 50 Cb -0.15 -1.20 -0.13 0.00 -1.10 0.00 0.00 41.96 39.38 2yu4 s TYR 50 CO 0.15 0.58 2.42 0.00 -2.51 0.00 0.00 175.55 176.18 2yu4 h PRO 52 N 14.84 0.00 -5.94 0.00 0.13 -1.96 -3.43 132.00 135.65 2yu4 h PRO 52 Ca -0.20 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.41 2yu4 h PRO 52 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2yu4 h PRO 52 CO 1.18 0.00 1.46 -1.14 -0.23 0.00 0.00 178.00 179.26 2yu4 s GLN 53 N -3.36 2.74 -0.53 0.86 2.00 -1.26 -4.86 119.66 115.25 2yu4 s GLN 53 Ca 0.04 1.37 -0.31 0.00 -2.00 0.00 0.00 55.36 54.46 2yu4 s GLN 53 Cb 0.09 -4.40 -0.12 0.00 0.80 0.00 0.00 33.01 29.38 2yu4 s GLN 53 CO 0.40 -2.56 2.38 -0.89 -0.50 0.00 0.00 175.29 174.11 2yu4 n ILE 54 N 7.63 0.06 0.00 -2.34 5.41 -1.26 -1.37 119.36 127.50 2yu4 n ILE 54 Ca 0.28 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.66 2yu4 n ILE 54 Cb 0.50 -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 1.21 3.85 7.39 0.00 -1.26 -5.13 105.19 117.60 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 -0.34 0.02 -4.49 0.00 2.88 -1.26 -4.97 113.62 105.46 2yu4 n SER 57 Ca 0.03 0.01 -0.36 0.00 -1.33 0.00 0.00 58.87 57.22 2yu4 n SER 57 Cb 0.53 1.42 0.07 0.00 -0.75 0.00 0.00 64.21 65.48 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 -2.54 -0.51 -2.62 0.66 -0.00 -1.26 -4.96 115.22 104.00 2yu4 n HIS 58 Ca -0.20 0.37 -0.02 0.00 -0.00 0.00 0.00 57.72 57.88 2yu4 n HIS 58 Cb 0.89 -1.95 0.07 0.00 -0.00 0.00 0.00 29.99 29.00 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 -2.32 0.38 -3.58 3.57 -2.24 -1.26 -3.33 114.28 105.49 2yu4 n THR 59 Ca 0.11 -1.44 -0.29 0.00 -2.27 0.00 0.00 64.05 60.15 2yu4 n THR 59 Cb 0.50 1.03 -0.15 0.00 -2.10 0.00 0.00 70.33 69.60 2yu4 n THR 59 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2yu4 s ASP 60 N -1.98 3.62 -0.07 3.42 1.11 -1.25 -4.57 116.67 116.96 2yu4 s ASP 60 Ca 0.15 -1.40 0.03 0.00 0.18 0.00 0.00 52.55 51.51 2yu4 s ASP 60 Cb 0.35 -0.46 0.01 0.00 1.07 0.00 0.00 42.92 43.88 2yu4 s ASP 60 CO -0.09 -0.43 -0.15 -0.63 1.18 0.00 0.00 175.17 175.05 2yu4 s ILE 61 N 1.96 1.36 0.00 0.77 1.01 0.07 -4.86 121.20 121.51 2yu4 s ILE 61 Ca 0.10 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.20 2yu4 s ILE 61 Cb -0.17 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 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 0.55 1.62 0.59 2.79 0.52 -1.26 -4.41 118.95 119.35 2yu4 s ARG 62 Ca -0.15 -0.82 0.29 0.00 -0.52 0.00 0.00 55.73 54.52 2yu4 s ARG 62 Cb -0.16 -1.63 1.63 0.00 0.52 0.00 0.00 34.95 35.31 2yu4 s ARG 62 CO 0.05 0.44 2.07 -0.22 0.02 0.00 0.00 175.30 177.66 2yu4 h LYS 63 N 5.36 0.00 0.00 3.54 3.64 -1.97 0.24 116.57 127.39 2yu4 h LYS 63 Ca -0.41 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.89 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 0.46 0.00 -0.40 1.03 -2.27 0.00 0.00 179.45 178.28 2yu4 h SER 64 N 0.00 0.00 -0.66 4.20 0.87 -2.04 -3.01 113.55 112.91 2yu4 h SER 64 Ca 0.10 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.42 2yu4 h SER 64 Cb 0.59 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.40 2yu4 h SER 64 CO -0.00 0.40 0.32 0.47 -0.53 0.00 0.00 176.83 177.48 2yu4 n ASP 65 N -3.40 4.05 -4.28 6.23 8.00 0.84 -4.86 116.55 123.13 2yu4 n ASP 65 Ca 0.01 -3.06 -0.34 0.00 0.71 0.00 0.00 54.79 52.10 2yu4 n ASP 65 Cb 0.58 -0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.43 2.71 0.26 0.64 1.43 -1.14 -1.09 118.68 119.06 2yu4 s LEU 66 Ca 0.44 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2yu4 s LEU 66 Cb 0.36 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 2yu4 s LEU 66 CO 0.10 0.01 -0.07 0.27 0.23 0.00 0.00 176.35 176.89 2yu4 s ILE 67 N 1.29 1.60 -0.31 -0.59 -4.36 -0.51 -4.98 121.20 113.35 2yu4 s ILE 67 Ca 0.04 -2.13 -0.19 0.00 -0.26 0.00 0.00 60.65 58.10 2yu4 s ILE 67 Cb -0.14 -2.36 -0.01 0.00 1.25 0.00 0.00 42.46 41.19 2yu4 s ILE 67 CO -0.04 -0.36 0.59 -1.10 0.24 0.00 0.00 174.94 174.27 2yu4 s GLN 68 N -3.73 3.88 -0.40 0.37 -0.21 -1.26 -0.22 119.66 118.09 2yu4 s GLN 68 Ca 0.28 0.22 -0.26 0.00 0.02 0.00 0.00 55.36 55.62 2yu4 s GLN 68 Cb 0.03 -3.73 0.02 0.00 1.00 0.00 0.00 33.01 30.33 2yu4 s GLN 68 CO 0.11 -0.55 0.93 0.34 -2.12 0.00 0.00 175.29 174.00 2yu4 s ASP 69 N 1.65 6.62 0.09 5.90 2.15 -1.00 -4.87 116.67 127.20 2yu4 s ASP 69 Ca 0.23 0.42 -0.08 0.00 0.43 0.00 0.00 52.55 53.56 2yu4 s ASP 69 Cb -0.15 -2.46 -0.22 0.00 -0.30 0.00 0.00 42.92 39.79 2yu4 s ASP 69 CO 0.12 -0.93 1.18 -0.08 -0.17 0.00 0.00 175.17 175.29 2yu4 h GLU 70 N 8.70 0.44 -0.65 4.34 4.81 -1.96 -2.86 114.58 127.40 2yu4 h GLU 70 Ca -0.23 -0.59 0.17 0.00 -0.13 0.00 0.00 59.36 58.57 2yu4 h GLU 70 Cb 1.08 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 2yu4 h GLU 70 CO 1.00 1.24 0.46 0.00 -0.73 0.00 0.00 179.01 180.98 2yu4 h ALA 71 N 0.53 2.41 0.15 2.92 0.00 -1.99 -0.82 119.26 122.46 2yu4 h ALA 71 Ca -0.14 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.44 2yu4 h ALA 71 Cb 1.83 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2yu4 h ALA 71 CO 0.20 -0.59 -1.61 1.25 0.00 0.00 0.00 179.25 178.50 2yu4 h LEU 72 N 0.14 0.51 0.18 0.00 6.46 -1.96 -3.24 115.31 117.40 2yu4 h LEU 72 Ca 0.32 -0.91 0.01 0.00 -0.12 0.00 0.00 57.88 57.18 2yu4 h LEU 72 Cb 1.04 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.78 2yu4 h LEU 72 CO -0.04 1.72 -0.28 0.03 -0.62 0.00 0.00 178.44 179.24 2yu4 h ARG 73 N -0.07 -0.51 -0.80 1.25 3.08 -1.07 -1.42 114.38 114.83 2yu4 h ARG 73 Ca -0.33 0.04 0.08 0.00 0.07 0.00 0.00 59.98 59.84 2yu4 h ARG 73 Cb 1.95 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 32.07 2yu4 h ARG 73 CO 0.12 -0.34 0.52 0.00 -1.07 0.00 0.00 179.97 179.21 2yu4 h ARG 74 N -0.53 0.78 0.60 0.04 3.08 -1.37 -2.27 114.38 114.70 2yu4 h ARG 74 Ca 0.02 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2yu4 h ARG 74 Cb 0.54 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.42 2yu4 h ARG 74 CO -0.13 0.52 -0.29 0.00 -1.07 0.00 0.00 179.97 179.00 2yu4 h ALA 75 N 1.58 -0.80 -0.37 0.04 0.00 -1.39 0.17 119.26 118.48 2yu4 h ALA 75 Ca 0.36 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2yu4 h ALA 75 Cb 0.35 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2yu4 h ALA 75 CO -0.14 -0.95 0.29 0.82 0.00 0.00 0.00 179.25 179.28 2yu4 h ILE 76 N -0.81 0.70 0.06 0.00 2.04 -0.90 0.52 117.51 119.13 2yu4 h ILE 76 Ca -0.08 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.53 2yu4 h ILE 76 Cb 0.62 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2yu4 h ILE 76 CO 0.13 0.00 -1.18 -0.33 0.00 0.00 0.00 178.15 176.78 2yu4 h GLU 77 N 0.00 0.13 0.00 2.37 5.08 -0.89 -2.77 114.58 118.50 2yu4 h GLU 77 Ca 0.18 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 2yu4 h GLU 77 Cb 0.76 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2yu4 h GLU 77 CO -0.00 1.08 -0.46 -0.97 -1.00 0.00 0.00 179.01 177.66 2yu4 h ASN 78 N 0.04 0.00 0.75 1.42 -1.24 0.14 -1.59 115.58 115.10 2yu4 h ASN 78 Ca -0.09 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.66 2yu4 h ASN 78 Cb 1.89 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.91 2yu4 h ASN 78 CO 0.16 0.46 -1.28 -0.74 -1.29 0.00 0.00 177.43 174.74 2yu4 h HIS 79 N 0.00 0.14 0.13 0.67 2.76 -1.16 -2.97 115.15 114.73 2yu4 h HIS 79 Ca -0.00 -0.10 -0.29 0.00 -2.20 0.00 0.00 60.37 57.78 2yu4 h HIS 79 Cb 1.08 -0.01 0.02 0.00 1.55 0.00 0.00 27.41 30.05 2yu4 h HIS 79 CO 0.00 1.10 -1.24 -0.91 -1.30 0.00 0.00 177.93 175.58 2yu4 h ASN 80 N 0.02 0.66 0.52 3.26 2.35 -1.44 -3.27 115.58 117.68 2yu4 h ASN 80 Ca -0.13 -0.64 -0.11 0.00 -0.55 0.00 0.00 56.30 54.87 2yu4 h ASN 80 Cb 1.89 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 40.03 2yu4 h ASN 80 CO 0.13 1.48 -0.53 0.07 -1.65 0.00 0.00 177.43 176.93 2yu4 h LYS 81 N 0.17 0.01 0.00 0.81 5.09 -1.41 -2.86 116.57 118.39 2yu4 h LYS 81 Ca -0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 60.65 60.55 2yu4 h LYS 81 Cb 1.93 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 34.26 2yu4 h LYS 81 CO 0.22 0.54 -0.08 -0.22 -2.09 0.00 0.00 179.45 177.83 2yu4 h LYS 82 N 0.01 0.00 -2.64 0.07 1.63 -1.57 -3.33 116.57 110.74 2yu4 h LYS 82 Ca -0.00 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.20 2yu4 h LYS 82 Cb 0.95 0.00 -0.39 0.00 -0.60 0.00 0.00 32.23 32.18 2yu4 h LYS 82 CO 0.07 0.08 -0.84 0.50 -3.45 0.00 0.00 179.45 175.80 2yu4 s ARG 83 N -4.82 1.11 -0.01 1.90 3.52 -1.08 -4.90 118.95 114.67 2yu4 s ARG 83 Ca -0.04 -2.07 0.21 0.00 -0.13 0.00 0.00 55.73 53.69 2yu4 s ARG 83 Cb 0.16 -1.86 0.35 0.00 -1.56 0.00 0.00 34.95 32.05 2yu4 s ARG 83 CO 0.66 -1.28 1.14 1.58 -0.81 0.00 0.00 175.30 176.59 2yu4 n HIS 84 N 3.15 0.00 0.00 5.12 -0.00 -1.23 -4.88 115.22 117.38 2yu4 n HIS 84 Ca 0.20 -0.46 0.00 0.00 0.46 0.00 0.00 57.72 57.92 2yu4 n HIS 84 Cb 0.41 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 2yu4 n HIS 84 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2yu4 n ARG 85 N 0.34 0.00 -3.25 1.57 0.63 -1.26 -5.02 116.66 109.66 2yu4 n ARG 85 Ca 0.06 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 56.52 2yu4 n ARG 85 Cb 1.05 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.94 2yu4 n ARG 85 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2yu4 s HIS 86 N -2.00 3.69 -0.67 -0.14 3.76 -1.26 -5.01 115.29 113.66 2yu4 s HIS 86 Ca 0.00 -1.95 -0.27 0.00 -0.15 0.00 0.00 55.06 52.69 2yu4 s HIS 86 Cb 0.00 -3.91 0.03 0.00 1.11 0.00 0.00 32.58 29.81 2yu4 s HIS 86 CO 0.00 -1.08 1.21 0.45 -0.85 0.00 0.00 174.74 174.47 2yu4 s SER 87 N 2.36 6.26 1.03 1.40 0.15 -1.26 -5.01 113.70 118.63 2yu4 s SER 87 Ca 0.22 -0.30 -0.15 0.00 0.70 0.00 0.00 55.95 56.42 2yu4 s SER 87 Cb -0.09 -2.54 0.20 0.00 -1.71 0.00 0.00 66.02 61.88 2yu4 s SER 87 CO -0.09 -1.67 1.10 -0.62 1.20 0.00 0.00 173.24 173.16 2yu4 n GLU 88 N 8.88 -1.36 -2.76 5.44 1.02 -1.26 -5.04 120.64 125.55 2yu4 n GLU 88 Ca 0.04 -1.70 -0.02 0.00 -0.02 0.00 0.00 57.16 55.46 2yu4 n GLU 88 Cb 0.49 -1.20 0.08 0.00 -0.02 0.00 0.00 31.44 30.79 2yu4 n GLU 88 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2yu4 n SER 89 N -3.86 0.39 -4.08 1.62 7.64 -1.26 -5.03 113.62 109.05 2yu4 n SER 89 Ca 0.14 -2.19 -0.35 0.00 1.01 0.00 0.00 58.87 57.48 2yu4 n SER 89 Cb 0.49 -0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.59 2yu4 n SER 89 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yu4 s GLY 90 N -2.74 2.99 -0.23 0.23 0.00 -1.26 -5.05 107.32 101.25 2yu4 s GLY 90 Ca 0.21 -3.77 -0.29 0.00 0.00 0.00 0.00 44.72 40.87 2yu4 s GLY 90 CO -0.06 1.17 1.62 2.56 0.00 0.00 0.00 173.10 178.38 2yu4 s PRO 91 N -1.20 3.76 -0.42 2.90 0.04 -1.26 -4.94 135.00 133.88 2yu4 s PRO 91 Ca 0.26 1.62 0.05 0.00 0.04 0.00 0.00 61.00 62.97 2yu4 s PRO 91 Cb -0.09 -4.04 0.17 0.00 0.04 0.00 0.00 34.50 30.58 2yu4 s PRO 91 CO -0.12 -1.34 0.52 -1.12 0.04 0.00 0.00 177.00 174.99 2yu4 s SER 92 N 4.33 -0.16 -0.22 6.66 0.01 -1.26 -5.13 113.70 117.93 2yu4 s SER 92 Ca 0.71 -1.59 -0.16 0.00 1.31 0.00 0.00 55.95 56.21 2yu4 s SER 92 Cb -0.24 1.13 0.06 0.00 0.21 0.00 0.00 66.02 67.19 2yu4 s SER 92 CO 0.29 -0.17 0.57 -0.55 0.41 0.00 0.00 173.24 173.79 2yu4 s SER 93 N 1.23 -0.67 0.00 2.44 0.15 -1.26 -5.25 113.70 110.34 2yu4 s SER 93 Ca 0.22 1.19 0.00 0.00 0.70 0.00 0.00 55.95 58.06 2yu4 s SER 93 Cb -0.06 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 2yu4 s SER 93 CO -0.06 -0.21 0.41 0.61 1.20 0.00 0.00 173.24 175.19