#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 -4.47 -3.42 1.61 2.88 -1.26 -4.95 113.62 104.01 2yu4 n SER 2 Ca 0.00 -0.81 -0.19 0.00 -1.33 0.00 0.00 58.87 56.54 2yu4 n SER 2 Cb 0.00 -3.73 -0.10 0.00 -0.75 0.00 0.00 64.21 59.63 2yu4 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yu4 s SER 3 N -3.35 1.95 -0.49 -3.46 0.01 -1.26 -5.04 113.70 102.07 2yu4 s SER 3 Ca 0.65 -0.88 0.08 0.00 1.31 0.00 0.00 55.95 57.11 2yu4 s SER 3 Cb -0.33 0.37 0.34 0.00 0.21 0.00 0.00 66.02 66.61 2yu4 s SER 3 CO 0.84 -0.39 0.84 0.61 0.41 0.00 0.00 173.24 175.55 2yu4 n GLY 4 N 5.25 4.65 3.50 3.44 0.00 -1.26 -5.10 105.19 115.66 2yu4 n GLY 4 Ca -0.02 -2.28 -0.35 0.00 0.00 0.00 0.00 46.02 43.37 2yu4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu4 n SER 5 N 0.06 -0.91 -3.13 1.61 7.64 -1.26 -4.95 113.62 112.68 2yu4 n SER 5 Ca 0.28 0.55 -0.26 0.00 1.01 0.00 0.00 58.87 60.45 2yu4 n SER 5 Cb 0.51 -1.27 -0.05 0.00 -1.01 0.00 0.00 64.21 62.39 2yu4 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yu4 n SER 6 N -0.98 3.91 0.00 6.43 2.88 -1.26 -5.02 113.62 119.57 2yu4 n SER 6 Ca 0.10 -3.54 0.00 0.00 -1.33 0.00 0.00 58.87 54.11 2yu4 n SER 6 Cb 0.51 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 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 0.22 5.60 2.69 0.46 0.00 -1.26 -5.11 105.19 107.79 2yu4 n GLY 7 Ca 0.30 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 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 1.73 0.27 -0.04 1.61 0.08 -1.26 -5.13 117.98 115.24 2yu4 s PHE 8 Ca 0.00 0.04 0.06 0.00 0.12 0.00 0.00 56.93 57.16 2yu4 s PHE 8 Cb 0.00 -0.61 -0.01 0.00 -0.57 0.00 0.00 43.02 41.83 2yu4 s PHE 8 CO 0.00 -0.28 -0.23 0.95 -0.10 0.00 0.00 175.22 175.57 2yu4 s THR 9 N 2.10 1.82 -0.00 0.64 -4.23 -1.26 -2.33 115.64 112.38 2yu4 s THR 9 Ca 0.04 -0.96 -0.30 0.00 -1.18 0.00 0.00 61.69 59.30 2yu4 s THR 9 Cb -0.13 -1.54 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 2yu4 s THR 9 CO -0.04 0.51 0.97 0.00 -0.54 0.00 0.00 174.62 175.52 2yu4 n PRO 11 N 3.91 0.08 -0.05 0.00 -0.04 -1.26 -0.12 135.00 137.52 2yu4 n PRO 11 Ca 0.06 0.22 -0.06 0.00 -0.04 0.00 0.00 63.50 63.68 2yu4 n PRO 11 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.99 0.24 0.52 5.41 -1.26 -4.60 119.36 119.23 2yu4 n ILE 12 Ca 0.05 0.26 0.13 0.00 1.00 0.00 0.00 62.75 64.19 2yu4 n ILE 12 Cb 0.15 -2.02 0.48 0.00 -0.71 0.00 0.00 39.64 37.53 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 -0.62 0.26 -5.00 1.39 1.35 -1.97 -3.47 112.91 104.84 2yu4 h THR 13 Ca 0.00 -0.92 -0.31 0.00 -0.55 0.00 0.00 66.41 64.62 2yu4 h THR 13 Cb 0.62 1.74 0.12 0.00 -1.73 0.00 0.00 68.15 68.91 2yu4 h THR 13 CO 0.00 0.11 -0.58 0.29 -0.25 0.00 0.00 175.52 175.09 2yu4 n LYS 14 N -3.21 -6.29 -3.98 4.72 4.76 0.84 -5.00 118.16 109.99 2yu4 n LYS 14 Ca 0.01 0.69 -0.09 0.00 -2.87 0.00 0.00 58.31 56.05 2yu4 n LYS 14 Cb 0.41 -5.29 -0.05 0.00 -1.84 0.00 0.00 35.03 28.26 2yu4 n LYS 14 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2yu4 s GLU 15 N -5.82 1.59 0.47 1.97 -1.05 -1.24 -4.88 118.70 109.73 2yu4 s GLU 15 Ca 0.35 -1.22 -0.23 0.00 -0.15 0.00 0.00 54.97 53.72 2yu4 s GLU 15 Cb -0.15 0.49 -0.09 0.00 -0.44 0.00 0.00 34.13 33.93 2yu4 s GLU 15 CO 0.60 -0.67 0.94 -1.91 0.95 0.00 0.00 175.26 175.18 2yu4 n GLU 16 N -0.39 1.17 -4.04 -4.83 2.13 -1.26 -1.12 120.64 112.29 2yu4 n GLU 16 Ca -0.02 0.43 -0.33 0.00 0.66 0.00 0.00 57.16 57.90 2yu4 n GLU 16 Cb 0.61 -2.02 -0.06 0.00 0.27 0.00 0.00 31.44 30.25 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 -2.14 3.17 -0.02 5.31 -1.94 -0.98 -4.77 119.30 117.93 2yu4 s MET 17 Ca 0.66 -0.44 0.01 0.00 -1.71 0.00 0.00 55.69 54.21 2yu4 s MET 17 Cb -0.52 -2.93 -0.02 0.00 2.01 0.00 0.00 34.83 33.37 2yu4 s MET 17 CO 0.55 0.66 0.00 1.63 -0.01 0.00 0.00 175.02 177.85 2yu4 n LYS 18 N 1.12 3.37 -3.83 2.03 4.76 -1.26 -4.89 118.16 119.46 2yu4 n LYS 18 Ca -0.12 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.03 2yu4 n LYS 18 Cb 0.53 -1.04 -0.12 0.00 -1.84 0.00 0.00 35.03 32.55 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 -2.04 2.08 -0.02 1.97 3.01 -1.26 -4.96 119.74 118.52 2yu4 s LYS 19 Ca -0.01 -2.95 -0.30 0.00 -1.01 0.00 0.00 55.97 51.70 2yu4 s LYS 19 Cb 0.00 -3.07 -0.05 0.00 -1.01 0.00 0.00 37.83 33.70 2yu4 s LYS 19 CO 0.06 -1.25 1.46 -1.25 0.51 0.00 0.00 175.35 174.88 2yu4 s PRO 20 N -0.90 4.25 -0.15 -1.68 0.04 -1.26 -1.46 135.00 133.84 2yu4 s PRO 20 Ca 0.24 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.30 2yu4 s PRO 20 Cb -0.09 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.76 2yu4 s PRO 20 CO -0.12 -0.67 -0.18 0.14 0.04 0.00 0.00 177.00 176.21 2yu4 s VAL 21 N 2.91 2.42 0.03 -0.36 -7.23 0.87 -1.92 120.40 117.12 2yu4 s VAL 21 Ca 0.66 -0.85 -0.09 0.00 -1.81 0.00 0.00 61.98 59.89 2yu4 s VAL 21 Cb -0.31 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 2yu4 s VAL 21 CO 0.26 0.53 0.33 -0.75 -0.31 0.00 0.00 175.10 175.16 2yu4 s LYS 22 N 0.89 3.68 0.28 4.82 2.20 0.40 -1.78 119.74 130.23 2yu4 s LYS 22 Ca -0.04 0.08 -0.06 0.00 -0.36 0.00 0.00 55.97 55.58 2yu4 s LYS 22 Cb -0.15 -3.06 -0.06 0.00 -1.51 0.00 0.00 37.83 33.05 2yu4 s LYS 22 CO -0.02 0.62 0.56 1.21 -0.36 0.00 0.00 175.35 177.36 2yu4 s ASN 23 N -1.65 6.48 0.11 1.43 3.84 -1.03 -1.28 114.94 122.83 2yu4 s ASN 23 Ca 0.29 0.76 0.18 0.00 0.21 0.00 0.00 52.86 54.31 2yu4 s ASN 23 Cb -0.14 -2.16 -0.09 0.00 -0.55 0.00 0.00 41.25 38.31 2yu4 s ASN 23 CO 0.16 -0.18 0.90 0.11 -2.79 0.00 0.00 177.10 175.30 2yu4 h LYS 24 N 1.80 0.00 0.00 0.43 1.57 -1.68 -3.18 116.57 115.51 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 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2yu4 h LYS 24 CO 0.67 0.21 -0.01 0.28 -0.57 0.00 0.00 179.45 180.02 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 -0.11 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2yu4 h VAL 25 Cb 1.41 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2yu4 h VAL 25 CO 0.03 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.60 2yu4 n GLY 27 N 1.90 1.25 3.19 0.00 0.00 -1.20 -4.99 105.19 105.32 2yu4 n GLY 27 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.78 -4.31 1.61 8.25 -1.26 -4.28 115.22 112.45 2yu4 n HIS 28 Ca 0.00 -0.38 -0.19 0.00 -0.26 0.00 0.00 57.72 56.90 2yu4 n HIS 28 Cb 0.00 -1.42 -0.15 0.00 1.12 0.00 0.00 29.99 29.54 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 -2.15 0.65 0.31 1.59 2.01 -1.26 -2.46 115.64 114.33 2yu4 s THR 29 Ca 0.56 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 62.28 2yu4 s THR 29 Cb -0.12 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 2yu4 s THR 29 CO 0.51 0.20 0.28 -0.31 -0.69 0.00 0.00 174.62 174.61 2yu4 s TYR 30 N 0.01 1.54 0.24 4.92 2.02 -0.74 -4.90 117.35 120.44 2yu4 s TYR 30 Ca 0.00 -1.55 -0.18 0.00 -0.37 0.00 0.00 57.07 54.97 2yu4 s TYR 30 Cb -0.05 -0.59 -0.08 0.00 -0.40 0.00 0.00 41.96 40.83 2yu4 s TYR 30 CO -0.00 -0.87 0.71 -2.00 -1.57 0.00 0.00 175.55 171.82 2yu4 s GLU 31 N -3.52 4.17 0.02 -0.62 2.12 -1.26 -0.09 118.70 119.52 2yu4 s GLU 31 Ca 0.39 0.79 -0.07 0.00 0.36 0.00 0.00 54.97 56.44 2yu4 s GLU 31 Cb 0.03 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.60 2yu4 s GLU 31 CO 0.24 0.35 1.11 1.49 -0.54 0.00 0.00 175.26 177.91 2yu4 h GLU 32 N 3.16 -0.19 -0.94 4.30 4.81 -1.63 0.22 114.58 124.32 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 0.00 179.01 179.04 2yu4 h ASP 33 N -0.19 0.04 0.43 1.04 3.32 -1.95 0.30 116.42 119.40 2yu4 h ASP 33 Ca -0.01 0.01 -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 1.54 -0.70 0.00 3.45 0.00 -1.77 0.25 119.26 122.03 2yu4 h ALA 34 Ca 0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2yu4 h ALA 34 Cb 1.76 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 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 -0.17 -0.35 0.00 -1.37 0.00 0.00 64.86 62.91 2yu4 h ILE 35 Cb 0.44 1.16 0.01 0.00 0.47 0.00 0.00 36.82 38.90 2yu4 h ILE 35 CO 0.10 0.01 -1.71 0.58 -3.07 0.00 0.00 178.15 174.05 2yu4 h VAL 36 N 0.00 0.98 0.00 2.19 2.07 -0.42 -3.06 116.25 118.01 2yu4 h VAL 36 Ca -0.00 -2.56 -0.11 0.00 0.82 0.00 0.00 66.70 64.85 2yu4 h VAL 36 Cb 0.16 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 2yu4 h VAL 36 CO 0.00 0.85 -0.56 0.08 0.02 0.00 0.00 177.57 177.96 2yu4 h ARG 37 N 0.10 0.00 0.30 1.57 0.11 0.06 -3.16 114.38 113.37 2yu4 h ARG 37 Ca -0.33 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.74 2yu4 h ARG 37 Cb 2.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.18 2yu4 h ARG 37 CO 0.18 0.53 -0.14 1.98 0.10 0.00 0.00 179.97 182.62 2yu4 h MET 38 N 0.00 -0.39 -0.84 0.08 4.05 -0.64 -1.00 114.93 116.20 2yu4 h MET 38 Ca -0.01 0.03 0.22 0.00 -0.28 0.00 0.00 59.70 59.66 2yu4 h MET 38 Cb 1.42 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 32.26 2yu4 h MET 38 CO 0.07 -0.26 0.58 0.82 0.23 0.00 0.00 176.91 178.35 2yu4 h ILE 39 N -1.11 0.62 0.11 1.77 2.04 -1.68 0.28 117.51 119.56 2yu4 h ILE 39 Ca -0.04 -0.05 -0.22 0.00 1.00 0.00 0.00 64.86 65.55 2yu4 h ILE 39 Cb 0.31 0.48 0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2yu4 h ILE 39 CO 0.07 0.02 -0.94 -0.33 0.00 0.00 0.00 178.15 176.97 2yu4 h GLU 40 N 0.14 0.44 -0.40 2.37 4.39 -1.60 -2.87 114.58 117.04 2yu4 h GLU 40 Ca 0.41 -0.62 -0.09 0.00 0.34 0.00 0.00 59.36 59.40 2yu4 h GLU 40 Cb 1.41 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 30.26 2yu4 h GLU 40 CO -0.06 1.27 -0.12 1.03 -1.16 0.00 0.00 179.01 179.97 2yu4 h SER 41 N -0.09 0.70 0.15 1.42 0.87 0.35 -2.78 113.55 114.18 2yu4 h SER 41 Ca -0.15 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 2yu4 h SER 41 Cb 1.69 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 2yu4 h SER 41 CO 0.18 0.85 -0.07 0.03 -0.53 0.00 0.00 176.83 177.28 2yu4 h ARG 42 N 0.65 -0.20 -0.97 2.24 2.47 -0.61 -3.02 114.38 114.93 2yu4 h ARG 42 Ca 0.11 0.01 0.18 0.00 -1.26 0.00 0.00 59.98 59.03 2yu4 h ARG 42 Cb 0.58 0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.85 2yu4 h ARG 42 CO 0.04 0.11 0.61 1.96 0.56 0.00 0.00 179.97 183.25 2yu4 h GLN 43 N -0.52 0.66 -0.40 0.04 4.20 -1.47 0.34 115.11 117.96 2yu4 h GLN 43 Ca -0.02 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.66 2yu4 h GLN 43 Cb 0.40 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2yu4 h GLN 43 CO 0.03 0.44 0.26 0.87 -0.67 0.00 0.00 178.83 179.76 2yu4 h LYS 44 N 0.68 0.49 -0.78 1.46 1.79 -1.37 -1.00 116.57 117.84 2yu4 h LYS 44 Ca 0.53 -0.03 -0.30 0.00 -2.18 0.00 0.00 60.65 58.67 2yu4 h LYS 44 Cb 0.93 -0.11 -0.18 0.00 -1.58 0.00 0.00 32.23 31.29 2yu4 h LYS 44 CO -0.29 0.33 0.35 0.54 -1.08 0.00 0.00 179.45 179.30 2yu4 n ARG 45 N -4.48 3.15 -3.01 3.15 1.74 0.74 -4.90 116.66 113.05 2yu4 n ARG 45 Ca 0.03 -3.07 -0.21 0.00 -0.77 0.00 0.00 57.85 53.83 2yu4 n ARG 45 Cb 0.08 -2.17 0.01 0.00 -1.02 0.00 0.00 32.46 29.36 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 -0.52 -3.59 -3.21 5.56 5.02 -0.38 -4.96 118.16 116.08 2yu4 n LYS 46 Ca 0.46 0.68 -0.20 0.00 -2.02 0.00 0.00 58.31 57.23 2yu4 n LYS 46 Cb 1.44 -5.42 0.01 0.00 -0.02 0.00 0.00 35.03 31.04 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 -3.62 0.80 -4.39 1.97 5.02 0.84 -4.96 118.16 113.81 2yu4 n LYS 47 Ca -0.09 -2.73 -0.20 0.00 -2.02 0.00 0.00 58.31 53.27 2yu4 n LYS 47 Cb 0.59 0.18 -0.10 0.00 -0.02 0.00 0.00 35.03 35.68 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 -3.90 1.48 -0.31 1.97 -2.85 -1.26 -3.75 119.74 111.11 2yu4 s LYS 48 Ca 0.31 -1.76 -0.19 0.00 -1.00 0.00 0.00 55.97 53.33 2yu4 s LYS 48 Cb -0.02 -0.91 -0.01 0.00 -2.06 0.00 0.00 37.83 34.83 2yu4 s LYS 48 CO 0.20 -0.04 0.57 0.00 0.10 0.00 0.00 175.35 176.17 2yu4 s ALA 49 N -3.21 3.52 0.23 0.59 0.00 -1.26 -4.93 121.76 116.71 2yu4 s ALA 49 Ca 0.30 -0.75 0.12 0.00 0.00 0.00 0.00 51.96 51.62 2yu4 s ALA 49 Cb 0.05 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 2yu4 s ALA 49 CO 0.11 -1.06 -0.22 1.52 0.00 0.00 0.00 175.76 176.11 2yu4 s TYR 50 N 2.49 2.29 -0.58 0.00 1.13 -1.26 -0.89 117.35 120.54 2yu4 s TYR 50 Ca 0.22 -0.35 -0.31 0.00 -1.41 0.00 0.00 57.07 55.23 2yu4 s TYR 50 Cb -0.15 -1.07 -0.13 0.00 -1.10 0.00 0.00 41.96 39.51 2yu4 s TYR 50 CO 0.12 0.60 2.42 0.00 -2.51 0.00 0.00 175.55 176.18 2yu4 h PRO 52 N 14.83 0.00 -5.95 0.00 0.13 -1.96 -3.43 132.00 135.62 2yu4 h PRO 52 Ca -0.20 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.40 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 1.17 0.00 1.45 -1.14 -0.23 0.00 0.00 178.00 179.25 2yu4 s GLN 53 N -3.37 2.78 -0.50 0.86 2.00 -1.26 -4.86 119.66 115.30 2yu4 s GLN 53 Ca 0.04 1.40 -0.32 0.00 -2.00 0.00 0.00 55.36 54.48 2yu4 s GLN 53 Cb 0.09 -4.39 -0.12 0.00 0.80 0.00 0.00 33.01 29.39 2yu4 s GLN 53 CO 0.41 -2.52 2.35 -0.89 -0.50 0.00 0.00 175.29 174.14 2yu4 n ILE 54 N 7.63 0.08 0.00 -2.34 5.41 -1.26 -1.37 119.36 127.52 2yu4 n ILE 54 Ca 0.28 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.67 2yu4 n ILE 54 Cb 0.50 -1.77 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 6.37 1.26 3.84 7.39 0.00 -1.26 -5.13 105.19 117.66 2yu4 n GLY 55 Ca 0.44 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.30 0.03 -4.48 0.00 3.41 -1.26 -4.97 113.62 106.06 2yu4 n SER 57 Ca 0.04 0.01 -0.36 0.00 -0.26 0.00 0.00 58.87 58.30 2yu4 n SER 57 Cb 0.53 1.42 0.08 0.00 -0.26 0.00 0.00 64.21 65.98 2yu4 n SER 57 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2yu4 n HIS 58 N -2.53 -0.66 -2.62 7.33 -0.00 -1.26 -4.96 115.22 110.51 2yu4 n HIS 58 Ca -0.19 0.35 -0.02 0.00 -0.00 0.00 0.00 57.72 57.86 2yu4 n HIS 58 Cb 0.88 -1.93 0.08 0.00 -0.00 0.00 0.00 29.99 29.02 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 -2.49 0.35 -3.58 3.57 -2.24 -1.26 -3.40 114.28 105.23 2yu4 n THR 59 Ca 0.10 -1.41 -0.29 0.00 -2.27 0.00 0.00 64.05 60.18 2yu4 n THR 59 Cb 0.50 1.02 -0.15 0.00 -2.10 0.00 0.00 70.33 69.61 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 -1.91 3.62 -0.07 3.42 1.01 -1.25 -4.58 116.67 116.91 2yu4 s ASP 60 Ca 0.14 -1.40 0.03 0.00 0.71 0.00 0.00 52.55 52.03 2yu4 s ASP 60 Cb 0.35 -0.46 0.01 0.00 1.01 0.00 0.00 42.92 43.84 2yu4 s ASP 60 CO -0.09 -0.43 -0.15 -0.63 0.21 0.00 0.00 175.17 174.08 2yu4 s ILE 61 N 1.96 1.36 0.01 0.77 1.01 -0.06 -4.88 121.20 121.37 2yu4 s ILE 61 Ca 0.10 -0.61 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 41.06 2yu4 s ILE 61 CO -0.33 0.41 -0.21 -0.13 0.00 0.00 0.00 174.94 174.67 2yu4 s ARG 62 N 0.60 1.60 0.59 2.79 1.81 -1.26 -4.43 118.95 120.65 2yu4 s ARG 62 Ca -0.15 -0.84 0.28 0.00 -1.72 0.00 0.00 55.73 53.30 2yu4 s ARG 62 Cb -0.16 -1.62 1.62 0.00 -0.45 0.00 0.00 34.95 34.33 2yu4 s ARG 62 CO 0.05 0.43 2.07 -0.22 -0.68 0.00 0.00 175.30 176.95 2yu4 h LYS 63 N 5.31 0.00 0.00 3.54 3.64 -1.97 0.24 116.57 127.33 2yu4 h LYS 63 Ca -0.41 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.89 2yu4 h LYS 63 Cb 1.15 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 -0.41 0.66 -2.27 0.00 0.00 179.45 177.89 2yu4 h SER 64 N 0.00 0.00 -0.66 4.20 4.64 -2.04 -2.99 113.55 116.70 2yu4 h SER 64 Ca 0.11 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.18 2yu4 h SER 64 Cb 0.60 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.55 2yu4 h SER 64 CO -0.00 0.41 0.31 0.47 -0.87 0.00 0.00 176.83 177.15 2yu4 n ASP 65 N -3.42 4.05 -4.29 4.97 9.92 0.84 -4.86 116.55 123.75 2yu4 n ASP 65 Ca 0.00 -3.06 -0.34 0.00 -0.53 0.00 0.00 54.79 50.86 2yu4 n ASP 65 Cb 0.57 -0.72 -0.14 0.00 -0.64 0.00 0.00 41.12 40.19 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 -2.43 2.75 0.26 0.64 1.43 -1.13 -1.60 118.68 118.59 2yu4 s LEU 66 Ca 0.44 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 2yu4 s LEU 66 Cb 0.36 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 2yu4 s LEU 66 CO 0.10 0.01 -0.07 0.27 0.23 0.00 0.00 176.35 176.90 2yu4 s ILE 67 N 1.28 1.59 -0.18 -0.59 -4.36 -0.41 -4.99 121.20 113.54 2yu4 s ILE 67 Ca 0.03 -2.13 -0.18 0.00 -0.26 0.00 0.00 60.65 58.12 2yu4 s ILE 67 Cb -0.14 -2.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 2yu4 s ILE 67 CO -0.04 -0.35 0.47 -1.10 0.24 0.00 0.00 174.94 174.16 2yu4 s GLN 68 N -3.73 4.22 -0.21 0.37 -0.21 -1.26 -0.45 119.66 118.39 2yu4 s GLN 68 Ca 0.28 0.35 -0.21 0.00 0.02 0.00 0.00 55.36 55.81 2yu4 s GLN 68 Cb 0.03 -3.52 -0.02 0.00 1.00 0.00 0.00 33.01 30.49 2yu4 s GLN 68 CO 0.11 -0.04 0.63 0.34 -2.12 0.00 0.00 175.29 174.20 2yu4 s ASP 69 N 0.98 6.66 -0.07 5.90 -1.08 -0.81 -4.84 116.67 123.42 2yu4 s ASP 69 Ca 0.23 0.81 -0.16 0.00 -0.52 0.00 0.00 52.55 52.91 2yu4 s ASP 69 Cb -0.15 -2.34 -0.30 0.00 -1.46 0.00 0.00 42.92 38.67 2yu4 s ASP 69 CO 0.09 -0.28 0.69 -0.08 0.52 0.00 0.00 175.17 176.10 2yu4 h GLU 70 N 7.54 0.32 -0.86 4.34 4.81 -1.97 -2.48 114.58 126.28 2yu4 h GLU 70 Ca -0.31 -0.54 0.14 0.00 -0.13 0.00 0.00 59.36 58.52 2yu4 h GLU 70 Cb 1.14 0.20 -0.07 0.00 0.63 0.00 0.00 28.75 30.66 2yu4 h GLU 70 CO 0.77 1.26 0.56 0.00 -0.73 0.00 0.00 179.01 180.87 2yu4 h ALA 71 N 0.03 1.89 0.19 2.92 0.00 -1.99 -1.01 119.26 121.29 2yu4 h ALA 71 Ca -0.28 0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.30 2yu4 h ALA 71 Cb 1.85 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.54 2yu4 h ALA 71 CO 0.12 -0.12 -1.70 1.25 0.00 0.00 0.00 179.25 178.81 2yu4 h LEU 72 N 0.64 0.62 -0.12 0.00 6.46 -1.96 -3.19 115.31 117.76 2yu4 h LEU 72 Ca 0.43 -0.89 0.04 0.00 -0.12 0.00 0.00 57.88 57.34 2yu4 h LEU 72 Cb 0.74 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.41 2yu4 h LEU 72 CO -0.18 1.74 -0.19 0.03 -0.62 0.00 0.00 178.44 179.21 2yu4 h ARG 73 N 0.11 -0.24 -0.65 1.25 3.08 -0.88 -1.64 114.38 115.41 2yu4 h ARG 73 Ca -0.32 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.71 2yu4 h ARG 73 Cb 2.10 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 32.18 2yu4 h ARG 73 CO 0.19 -0.16 0.28 0.00 -1.07 0.00 0.00 179.97 179.21 2yu4 h ARG 74 N -0.25 0.94 0.36 0.04 3.08 -1.37 -2.78 114.38 114.39 2yu4 h ARG 74 Ca 0.10 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2yu4 h ARG 74 Cb 0.39 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 2yu4 h ARG 74 CO -0.27 0.75 -0.48 0.00 -1.07 0.00 0.00 179.97 178.90 2yu4 h ALA 75 N 1.38 -1.02 -0.43 0.04 0.00 -1.31 0.15 119.26 118.07 2yu4 h ALA 75 Ca 0.22 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.10 2yu4 h ALA 75 Cb 0.14 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2yu4 h ALA 75 CO -0.02 -1.12 0.31 0.82 0.00 0.00 0.00 179.25 179.23 2yu4 h ILE 76 N -0.89 0.79 0.00 0.00 2.04 -1.29 0.11 117.51 118.28 2yu4 h ILE 76 Ca -0.04 -0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.66 2yu4 h ILE 76 Cb 0.81 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2yu4 h ILE 76 CO -0.13 0.00 -0.75 -0.33 0.00 0.00 0.00 178.15 176.94 2yu4 h GLU 77 N 0.01 0.00 0.00 2.37 5.08 -0.98 -1.57 114.58 119.49 2yu4 h GLU 77 Ca 0.20 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 2yu4 h GLU 77 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2yu4 h GLU 77 CO -0.01 0.75 -0.43 -0.97 -1.00 0.00 0.00 179.01 177.36 2yu4 h ASN 78 N 0.00 0.00 0.55 1.42 -0.73 0.19 -2.97 115.58 114.05 2yu4 h ASN 78 Ca -0.01 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 57.92 2yu4 h ASN 78 Cb 1.35 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.90 2yu4 h ASN 78 CO 0.10 0.43 -1.62 1.57 -0.37 0.00 0.00 177.43 177.54 2yu4 n HIS 79 N -3.55 0.94 -0.02 0.67 -0.00 -0.94 -4.07 115.22 108.25 2yu4 n HIS 79 Ca -0.00 0.33 -0.03 0.00 0.46 0.00 0.00 57.72 58.47 2yu4 n HIS 79 Cb 0.54 -1.13 0.20 0.00 -0.12 0.00 0.00 29.99 29.48 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 0.56 -0.51 0.26 -0.73 -1.22 -2.59 115.58 111.34 2yu4 h ASN 80 Ca -0.24 -0.17 0.15 0.00 1.87 0.00 0.00 56.30 57.91 2yu4 h ASN 80 Cb 1.83 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 40.25 2yu4 h ASN 80 CO 0.06 0.74 0.39 0.07 -0.37 0.00 0.00 177.43 178.32 2yu4 h LYS 81 N 0.51 0.00 -0.79 6.67 5.09 -1.67 0.04 116.57 126.43 2yu4 h LYS 81 Ca 0.09 0.00 0.09 0.00 0.09 0.00 0.00 60.65 60.91 2yu4 h LYS 81 Cb 0.59 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.86 2yu4 h LYS 81 CO 0.04 0.00 0.51 -0.22 -2.09 0.00 0.00 179.45 177.69 2yu4 h LYS 82 N 0.00 0.73 -4.83 0.07 3.64 -1.67 -3.38 116.57 111.13 2yu4 h LYS 82 Ca 0.24 -0.04 -0.67 0.00 -1.27 0.00 0.00 60.65 58.91 2yu4 h LYS 82 Cb 1.01 -0.16 -0.22 0.00 -0.41 0.00 0.00 32.23 32.45 2yu4 h LYS 82 CO -0.00 0.48 -0.57 0.50 -2.27 0.00 0.00 179.45 177.59 2yu4 s ARG 83 N -5.68 3.45 1.34 1.90 3.52 0.00 -5.09 118.95 118.38 2yu4 s ARG 83 Ca -0.10 -0.64 -0.18 0.00 -0.13 0.00 0.00 55.73 54.68 2yu4 s ARG 83 Cb 0.20 -3.51 0.34 0.00 -1.56 0.00 0.00 34.95 30.42 2yu4 s ARG 83 CO 0.78 -0.35 0.93 0.72 -0.81 0.00 0.00 175.30 176.57 2yu4 n HIS 84 N 4.97 -2.55 -0.00 5.12 8.25 -1.26 -4.96 115.22 124.79 2yu4 n HIS 84 Ca -0.14 -0.49 -0.02 0.00 -0.26 0.00 0.00 57.72 56.81 2yu4 n HIS 84 Cb 0.50 -1.52 -0.11 0.00 1.12 0.00 0.00 29.99 29.98 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 -5.38 0.64 -1.89 -0.41 0.63 -1.26 -4.80 116.66 104.18 2yu4 n ARG 85 Ca 0.07 0.18 -0.38 0.00 -0.92 0.00 0.00 57.85 56.80 2yu4 n ARG 85 Cb 0.57 -1.74 -0.03 0.00 0.45 0.00 0.00 32.46 31.71 2yu4 n ARG 85 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2yu4 s HIS 86 N -2.84 1.48 0.51 -0.14 2.46 -1.26 -4.94 115.29 110.55 2yu4 s HIS 86 Ca -0.05 1.03 -0.23 0.00 0.47 0.00 0.00 55.06 56.29 2yu4 s HIS 86 Cb 0.08 -3.93 -0.06 0.00 -0.13 0.00 0.00 32.58 28.54 2yu4 s HIS 86 CO 0.82 -2.39 1.30 -1.54 -2.47 0.00 0.00 174.74 170.46 2yu4 s SER 87 N 9.34 5.64 -0.91 9.88 1.04 -1.26 -4.97 113.70 132.47 2yu4 s SER 87 Ca 0.77 2.62 -0.01 0.00 0.48 0.00 0.00 55.95 59.81 2yu4 s SER 87 Cb -0.14 -2.63 0.26 0.00 0.10 0.00 0.00 66.02 63.61 2yu4 s SER 87 CO 0.23 -1.30 1.02 -0.62 0.98 0.00 0.00 173.24 173.54 2yu4 n GLU 88 N -0.75 3.26 -2.66 4.02 -0.58 -1.26 -4.89 120.64 117.78 2yu4 n GLU 88 Ca 0.09 -4.55 -0.03 0.00 -0.42 0.00 0.00 57.16 52.24 2yu4 n GLU 88 Cb 0.46 -2.42 -0.03 0.00 -0.57 0.00 0.00 31.44 28.88 2yu4 n GLU 88 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2yu4 n SER 89 N 1.67 -3.52 -4.10 1.62 7.64 -1.26 -5.07 113.62 110.60 2yu4 n SER 89 Ca 0.25 1.38 -0.21 0.00 1.01 0.00 0.00 58.87 61.30 2yu4 n SER 89 Cb 0.37 -5.24 -0.09 0.00 -1.01 0.00 0.00 64.21 58.24 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 -1.05 2.18 0.29 0.23 0.00 -1.26 -5.05 107.32 102.66 2yu4 s GLY 90 Ca -0.17 -1.68 0.08 0.00 0.00 0.00 0.00 44.72 42.95 2yu4 s GLY 90 CO 0.78 -1.68 1.68 -0.56 0.00 0.00 0.00 173.10 173.32 2yu4 h PRO 91 N 2.10 0.16 -7.25 2.90 0.13 -2.05 -3.45 132.00 124.55 2yu4 h PRO 91 Ca -0.35 -0.08 -0.52 0.00 -0.87 0.00 0.00 66.00 64.17 2yu4 h PRO 91 Cb 1.25 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.54 2yu4 h PRO 91 CO 0.56 0.60 0.32 -1.54 -0.23 0.00 0.00 178.00 177.71 2yu4 s SER 92 N -6.89 4.09 -0.20 1.44 1.04 -1.26 -5.05 113.70 106.87 2yu4 s SER 92 Ca -0.04 2.08 -0.05 0.00 0.48 0.00 0.00 55.95 58.43 2yu4 s SER 92 Cb 0.13 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.80 2yu4 s SER 92 CO 0.77 -2.32 0.37 -0.44 0.98 0.00 0.00 173.24 172.60 2yu4 s SER 93 N -2.74 0.10 0.00 7.02 0.01 -1.26 -5.11 113.70 111.73 2yu4 s SER 93 Ca 0.67 0.58 0.00 0.00 1.31 0.00 0.00 55.95 58.51 2yu4 s SER 93 Cb -0.22 1.11 0.00 0.00 0.21 0.00 0.00 66.02 67.12 2yu4 s SER 93 CO 0.51 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.51