#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 -0.17 0.00 1.61 3.41 -1.26 -5.06 113.62 112.16 2yu4 n SER 2 Ca 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2yu4 n SER 2 Cb 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2yu4 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yu4 n SER 3 N -2.30 0.00 -0.19 4.04 7.64 -1.26 -4.72 113.62 116.83 2yu4 n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2yu4 n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 3.70 3.77 0.23 0.00 -1.26 -5.15 105.19 106.49 2yu4 n GLY 4 Ca 0.00 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 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 1.10 6.35 0.78 1.61 1.04 -1.26 -5.04 113.70 118.28 2yu4 s SER 5 Ca 0.00 2.32 -0.04 0.00 0.48 0.00 0.00 55.95 58.70 2yu4 s SER 5 Cb 0.00 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.66 2yu4 s SER 5 CO 0.00 -0.79 1.08 -0.44 0.98 0.00 0.00 173.24 174.06 2yu4 s SER 6 N -1.26 4.02 0.00 7.02 0.01 -1.26 -5.11 113.70 117.12 2yu4 s SER 6 Ca 0.60 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2yu4 s SER 6 Cb -0.29 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2yu4 s SER 6 CO 0.36 -2.09 0.00 0.61 0.41 0.00 0.00 173.24 172.53 2yu4 n GLY 7 N -3.06 0.96 2.79 3.44 0.00 -1.26 -5.03 105.19 103.04 2yu4 n GLY 7 Ca 0.15 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 1.02 -0.02 1.61 0.08 -1.26 -5.11 117.98 114.29 2yu4 s PHE 8 Ca 0.00 -0.57 0.07 0.00 0.12 0.00 0.00 56.93 56.55 2yu4 s PHE 8 Cb 0.00 -0.99 -0.02 0.00 -0.57 0.00 0.00 43.02 41.44 2yu4 s PHE 8 CO 0.00 -0.47 -0.23 0.95 -0.10 0.00 0.00 175.22 175.37 2yu4 s THR 9 N 1.86 1.82 -0.04 0.64 -4.23 -1.26 -2.43 115.64 111.99 2yu4 s THR 9 Ca 0.03 -0.98 -0.25 0.00 -1.18 0.00 0.00 61.69 59.31 2yu4 s THR 9 Cb -0.14 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 2yu4 s THR 9 CO -0.07 0.51 0.77 0.00 -0.54 0.00 0.00 174.62 175.30 2yu4 n PRO 11 N 3.76 0.01 -0.02 0.00 -0.04 -1.26 -0.33 135.00 137.12 2yu4 n PRO 11 Ca 0.00 0.25 -0.02 0.00 -0.04 0.00 0.00 63.50 63.70 2yu4 n PRO 11 Cb 0.51 -1.50 -0.01 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 -1.49 0.35 0.28 0.52 5.41 -1.26 -4.55 119.36 118.63 2yu4 n ILE 12 Ca 0.04 0.42 0.17 0.00 1.00 0.00 0.00 62.75 64.38 2yu4 n ILE 12 Cb 0.16 -1.71 0.66 0.00 -0.71 0.00 0.00 39.64 38.05 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 -3.25 1.39 1.35 -1.97 -3.46 112.91 106.73 2yu4 h THR 13 Ca 0.00 -0.52 -0.34 0.00 -0.55 0.00 0.00 66.41 65.00 2yu4 h THR 13 Cb 0.20 1.51 0.02 0.00 -1.73 0.00 0.00 68.15 68.15 2yu4 h THR 13 CO 0.00 0.00 -0.48 0.29 -0.25 0.00 0.00 175.52 175.08 2yu4 n LYS 14 N -3.05 -2.99 -4.15 4.72 4.76 0.55 -4.99 118.16 113.00 2yu4 n LYS 14 Ca 0.01 0.79 -0.11 0.00 -2.87 0.00 0.00 58.31 56.13 2yu4 n LYS 14 Cb 0.31 -5.30 -0.09 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 -5.24 1.21 0.55 1.97 2.02 -1.24 -4.87 118.70 113.09 2yu4 s GLU 15 Ca 0.15 -1.53 -0.19 0.00 0.02 0.00 0.00 54.97 53.42 2yu4 s GLU 15 Cb -0.07 0.30 -0.08 0.00 0.10 0.00 0.00 34.13 34.39 2yu4 s GLU 15 CO 0.19 -0.41 0.79 -1.91 0.02 0.00 0.00 175.26 173.93 2yu4 n GLU 16 N -0.26 0.81 -4.18 1.61 2.13 -1.26 -1.50 120.64 117.99 2yu4 n GLU 16 Ca -0.00 0.31 -0.34 0.00 0.66 0.00 0.00 57.16 57.78 2yu4 n GLU 16 Cb 0.65 -1.94 -0.11 0.00 0.27 0.00 0.00 31.44 30.31 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 -2.33 3.78 -0.22 5.31 -1.94 -1.02 -4.76 119.30 118.12 2yu4 s MET 17 Ca 0.71 -0.45 0.08 0.00 -1.71 0.00 0.00 55.69 54.32 2yu4 s MET 17 Cb -0.46 -3.07 -0.21 0.00 2.01 0.00 0.00 34.83 33.10 2yu4 s MET 17 CO 0.52 0.20 -0.03 1.63 -0.01 0.00 0.00 175.02 177.33 2yu4 n LYS 18 N 3.69 0.67 -3.83 2.03 4.76 -1.26 -4.74 118.16 119.48 2yu4 n LYS 18 Ca -0.17 0.10 -0.28 0.00 -2.87 0.00 0.00 58.31 55.09 2yu4 n LYS 18 Cb 0.52 -1.55 -0.12 0.00 -1.84 0.00 0.00 35.03 32.04 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 -2.51 2.10 0.14 1.97 3.01 -1.26 -5.02 119.74 118.18 2yu4 s LYS 19 Ca -0.23 -2.97 -0.31 0.00 -1.01 0.00 0.00 55.97 51.45 2yu4 s LYS 19 Cb 0.08 -3.09 -0.08 0.00 -1.01 0.00 0.00 37.83 33.73 2yu4 s LYS 19 CO 0.71 -1.26 1.34 -1.25 0.51 0.00 0.00 175.35 175.40 2yu4 s PRO 20 N -0.93 4.36 -0.05 -1.68 0.04 -1.26 -0.94 135.00 134.53 2yu4 s PRO 20 Ca 0.24 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.36 2yu4 s PRO 20 Cb -0.09 -3.24 -0.00 0.00 0.04 0.00 0.00 34.50 31.21 2yu4 s PRO 20 CO -0.13 -0.34 -0.17 0.14 0.04 0.00 0.00 177.00 176.54 2yu4 s VAL 21 N 0.70 1.44 0.04 -0.36 -7.23 0.80 -3.03 120.40 112.75 2yu4 s VAL 21 Ca 0.61 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 60.07 2yu4 s VAL 21 Cb -0.36 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 2yu4 s VAL 21 CO 0.33 0.42 0.11 -0.75 -0.31 0.00 0.00 175.10 174.90 2yu4 s LYS 22 N 0.13 3.09 0.29 4.82 2.20 0.67 -1.16 119.74 129.77 2yu4 s LYS 22 Ca -0.06 -0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 2yu4 s LYS 22 Cb -0.12 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 2yu4 s LYS 22 CO 0.03 0.61 0.52 1.21 -0.36 0.00 0.00 175.35 177.36 2yu4 s ASN 23 N -2.12 6.39 0.02 1.43 2.47 -0.91 -1.08 114.94 121.14 2yu4 s ASN 23 Ca 0.28 0.59 0.19 0.00 0.42 0.00 0.00 52.86 54.33 2yu4 s ASN 23 Cb -0.12 -2.09 -0.18 0.00 -1.45 0.00 0.00 41.25 37.41 2yu4 s ASN 23 CO 0.20 -0.19 0.66 0.29 -3.72 0.00 0.00 177.10 174.33 2yu4 n LYS 24 N -1.11 0.64 -0.01 0.43 5.02 -0.77 -3.13 118.16 119.24 2yu4 n LYS 24 Ca -0.03 0.08 -0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2yu4 n LYS 24 Cb 0.54 -1.70 -0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2yu4 n LYS 24 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2yu4 h VAL 25 N 0.00 0.00 0.00 -0.18 2.07 -1.94 -3.42 116.25 112.78 2yu4 h VAL 25 Ca -0.17 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 2yu4 h VAL 25 Cb 1.48 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2yu4 h VAL 25 CO 0.03 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.37 2yu4 n GLY 27 N 1.65 1.27 3.13 0.00 0.00 -1.18 -5.01 105.19 105.05 2yu4 n GLY 27 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.44 -3.47 -4.20 1.61 8.25 -1.26 -4.28 115.22 111.44 2yu4 n HIS 28 Ca 0.00 -0.61 -0.16 0.00 -0.26 0.00 0.00 57.72 56.68 2yu4 n HIS 28 Cb 0.00 -1.27 -0.14 0.00 1.12 0.00 0.00 29.99 29.69 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 -2.08 0.47 0.32 1.59 -4.23 -1.26 -2.13 115.64 108.31 2yu4 s THR 29 Ca 0.58 -0.27 0.02 0.00 -1.18 0.00 0.00 61.69 60.84 2yu4 s THR 29 Cb -0.10 -0.40 -0.02 0.00 1.34 0.00 0.00 72.50 73.32 2yu4 s THR 29 CO 0.49 0.12 0.34 -0.31 -0.54 0.00 0.00 174.62 174.72 2yu4 s TYR 30 N -0.16 1.37 0.19 3.99 2.02 -0.31 -4.94 117.35 119.51 2yu4 s TYR 30 Ca 0.02 -1.46 -0.16 0.00 -0.37 0.00 0.00 57.07 55.11 2yu4 s TYR 30 Cb -0.02 -0.42 -0.07 0.00 -0.40 0.00 0.00 41.96 41.04 2yu4 s TYR 30 CO -0.00 -0.95 0.61 -2.00 -1.57 0.00 0.00 175.55 171.64 2yu4 s GLU 31 N -3.41 4.05 0.02 -0.62 2.12 -1.26 -0.14 118.70 119.45 2yu4 s GLU 31 Ca 0.36 0.60 -0.06 0.00 0.36 0.00 0.00 54.97 56.23 2yu4 s GLU 31 Cb 0.02 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.51 2yu4 s GLU 31 CO 0.22 0.42 1.10 1.49 -0.54 0.00 0.00 175.26 177.95 2yu4 h GLU 32 N 3.36 -0.16 -0.95 4.30 4.81 -1.40 0.23 114.58 124.78 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 30.56 2yu4 h GLU 32 CO 0.66 -0.11 0.68 -0.44 -0.73 0.00 0.00 179.01 179.06 2yu4 h ASP 33 N -0.17 0.06 0.44 1.04 3.32 -1.96 0.29 116.42 119.45 2yu4 h ASP 33 Ca -0.01 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2yu4 h ASP 33 Cb 0.15 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2yu4 h ASP 33 CO -0.02 0.02 -0.21 0.00 -1.72 0.00 0.00 179.24 177.30 2yu4 h ALA 34 N 1.54 -0.73 0.00 3.45 0.00 -1.77 0.25 119.26 122.01 2yu4 h ALA 34 Ca 0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2yu4 h ALA 34 Cb 1.74 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 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 -0.93 0.06 0.16 0.00 6.09 0.11 0.26 117.51 123.27 2yu4 h ILE 35 Ca -0.06 -0.17 -0.33 0.00 -1.37 0.00 0.00 64.86 62.92 2yu4 h ILE 35 Cb 0.46 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.91 2yu4 h ILE 35 CO 0.10 0.01 -1.67 0.58 -3.07 0.00 0.00 178.15 174.10 2yu4 h VAL 36 N 0.00 1.02 0.00 2.19 2.07 -0.42 -3.06 116.25 118.05 2yu4 h VAL 36 Ca -0.00 -2.62 -0.08 0.00 0.82 0.00 0.00 66.70 64.82 2yu4 h VAL 36 Cb 0.16 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 2yu4 h VAL 36 CO 0.00 0.84 -0.53 0.08 0.02 0.00 0.00 177.57 177.98 2yu4 h ARG 37 N 0.09 0.00 0.17 1.57 0.11 0.11 -3.13 114.38 113.30 2yu4 h ARG 37 Ca -0.31 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.77 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 0.34 -0.08 1.98 0.10 0.00 0.00 179.97 182.48 2yu4 h MET 38 N 0.00 -0.22 -0.74 0.08 4.05 -0.62 -2.50 114.93 114.99 2yu4 h MET 38 Ca -0.02 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.52 2yu4 h MET 38 Cb 1.30 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 32.07 2yu4 h MET 38 CO 0.04 0.07 0.37 0.82 0.23 0.00 0.00 176.91 178.44 2yu4 h ILE 39 N -1.00 0.82 0.00 1.77 2.04 -1.68 0.31 117.51 119.78 2yu4 h ILE 39 Ca -0.02 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 2yu4 h ILE 39 Cb 0.38 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2yu4 h ILE 39 CO 0.04 0.11 -0.25 -0.33 0.00 0.00 0.00 178.15 177.72 2yu4 h GLU 40 N 0.61 0.00 0.00 2.37 4.39 -1.66 -0.50 114.58 119.79 2yu4 h GLU 40 Ca 0.37 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.96 2yu4 h GLU 40 Cb 0.42 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2yu4 h GLU 40 CO -0.29 0.25 -0.83 1.03 -1.16 0.00 0.00 179.01 178.01 2yu4 h SER 41 N 0.00 0.00 0.00 1.42 0.87 -0.39 -3.22 113.55 112.23 2yu4 h SER 41 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2yu4 h SER 41 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2yu4 h SER 41 CO 0.03 0.43 -0.26 0.03 -0.53 0.00 0.00 176.83 176.53 2yu4 h ARG 42 N 0.00 0.00 -0.44 2.24 2.47 -0.01 -3.28 114.38 115.37 2yu4 h ARG 42 Ca -0.06 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.75 2yu4 h ARG 42 Cb 1.38 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.62 2yu4 h ARG 42 CO 0.05 0.67 -0.06 1.96 0.56 0.00 0.00 179.97 183.14 2yu4 h GLN 43 N -1.00 0.04 -0.17 0.04 1.08 -1.23 0.35 115.11 114.22 2yu4 h GLN 43 Ca -0.06 -0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.19 2yu4 h GLN 43 Cb 0.76 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 2yu4 h GLN 43 CO -0.04 0.03 0.21 1.57 -0.95 0.00 0.00 178.83 179.65 2yu4 h LYS 44 N 0.04 0.00 -0.60 1.46 5.09 -1.72 0.23 116.57 121.07 2yu4 h LYS 44 Ca 0.21 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.77 2yu4 h LYS 44 Cb 0.32 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 32.54 2yu4 h LYS 44 CO -0.41 0.00 0.18 0.54 -2.09 0.00 0.00 179.45 177.67 2yu4 n ARG 45 N -3.70 3.24 -3.93 0.07 1.74 0.83 -4.92 116.66 110.00 2yu4 n ARG 45 Ca 0.01 -3.06 -0.31 0.00 -0.77 0.00 0.00 57.85 53.72 2yu4 n ARG 45 Cb 0.33 -2.09 0.01 0.00 -1.02 0.00 0.00 32.46 29.69 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 -0.41 -4.91 -2.99 5.56 5.02 0.79 -4.96 118.16 116.27 2yu4 n LYS 46 Ca 0.37 0.55 -0.14 0.00 -2.02 0.00 0.00 58.31 57.07 2yu4 n LYS 46 Cb 1.26 -5.40 -0.02 0.00 -0.02 0.00 0.00 35.03 30.85 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 -4.55 1.27 -4.18 1.97 5.02 0.85 -4.98 118.16 113.55 2yu4 n LYS 47 Ca 0.05 -1.72 -0.16 0.00 -2.02 0.00 0.00 58.31 54.45 2yu4 n LYS 47 Cb 0.52 0.34 -0.11 0.00 -0.02 0.00 0.00 35.03 35.76 2yu4 n LYS 47 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2yu4 s LYS 48 N -2.97 0.87 -0.37 1.97 -2.85 -1.26 -3.97 119.74 111.15 2yu4 s LYS 48 Ca 0.07 -1.10 -0.27 0.00 -1.00 0.00 0.00 55.97 53.66 2yu4 s LYS 48 Cb -0.01 -0.69 0.02 0.00 -2.06 0.00 0.00 37.83 35.09 2yu4 s LYS 48 CO 0.04 0.13 1.00 0.00 0.10 0.00 0.00 175.35 176.62 2yu4 s ALA 49 N -1.98 3.39 0.22 0.59 0.00 -1.26 -4.97 121.76 117.75 2yu4 s ALA 49 Ca 0.03 -0.35 0.10 0.00 0.00 0.00 0.00 51.96 51.75 2yu4 s ALA 49 Cb -0.06 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 2yu4 s ALA 49 CO 0.01 -1.68 -0.10 1.52 0.00 0.00 0.00 175.76 175.51 2yu4 s TYR 50 N 3.68 2.56 -0.58 0.00 1.13 -1.26 -0.13 117.35 122.75 2yu4 s TYR 50 Ca 0.42 -0.25 -0.31 0.00 -1.41 0.00 0.00 57.07 55.52 2yu4 s TYR 50 Cb -0.11 -1.19 -0.13 0.00 -1.10 0.00 0.00 41.96 39.43 2yu4 s TYR 50 CO 0.20 0.58 2.42 0.00 -2.51 0.00 0.00 175.55 176.23 2yu4 n PRO 52 N 8.58 0.07 -1.99 0.00 -0.04 -1.26 -4.66 135.00 135.69 2yu4 n PRO 52 Ca 0.47 0.32 -0.40 0.00 -0.04 0.00 0.00 63.50 63.84 2yu4 n PRO 52 Cb 0.29 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 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 -3.11 2.85 -0.44 0.54 2.00 -1.26 -4.85 119.66 115.38 2yu4 s GLN 53 Ca 0.06 0.98 -0.33 0.00 -2.00 0.00 0.00 55.36 54.07 2yu4 s GLN 53 Cb 0.09 -4.33 -0.11 0.00 0.80 0.00 0.00 33.01 29.46 2yu4 s GLN 53 CO 0.30 -2.45 2.29 -0.89 -0.50 0.00 0.00 175.29 174.04 2yu4 n ILE 54 N 7.35 0.13 0.00 -2.34 5.41 -1.26 -1.32 119.36 127.32 2yu4 n ILE 54 Ca 0.23 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.64 2yu4 n ILE 54 Cb 0.50 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 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 6.41 1.42 3.86 7.39 0.00 -1.26 -5.13 105.19 117.89 2yu4 n GLY 55 Ca 0.43 0.00 -0.31 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 -1.13 0.16 -4.47 0.00 7.64 -1.26 -4.99 113.62 109.57 2yu4 n SER 57 Ca 0.04 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.56 2yu4 n SER 57 Cb 0.54 1.42 0.08 0.00 -1.01 0.00 0.00 64.21 65.24 2yu4 n SER 57 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2yu4 n HIS 58 N -2.51 -0.81 -2.29 1.43 -0.00 -1.26 -4.95 115.22 104.82 2yu4 n HIS 58 Ca -0.20 0.33 -0.03 0.00 -0.00 0.00 0.00 57.72 57.82 2yu4 n HIS 58 Cb 0.88 -1.90 -0.00 0.00 -0.00 0.00 0.00 29.99 28.97 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 -2.69 0.09 -3.58 3.57 -2.24 -1.26 -3.50 114.28 104.67 2yu4 n THR 59 Ca 0.09 -0.61 -0.29 0.00 -2.27 0.00 0.00 64.05 60.97 2yu4 n THR 59 Cb 0.51 0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.43 3.62 -0.07 3.42 1.11 -1.25 -4.50 116.67 117.58 2yu4 s ASP 60 Ca 0.10 -1.40 0.03 0.00 0.18 0.00 0.00 52.55 51.47 2yu4 s ASP 60 Cb 0.19 -0.46 0.01 0.00 1.07 0.00 0.00 42.92 43.73 2yu4 s ASP 60 CO -0.06 -0.43 -0.15 -0.63 1.18 0.00 0.00 175.17 175.07 2yu4 s ILE 61 N 1.96 1.36 -0.00 0.77 1.01 0.82 -4.89 121.20 122.23 2yu4 s ILE 61 Ca 0.10 -0.63 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 0.45 1.65 0.59 2.79 0.52 -1.26 -4.33 118.95 119.36 2yu4 s ARG 62 Ca -0.13 -0.81 0.29 0.00 -0.52 0.00 0.00 55.73 54.56 2yu4 s ARG 62 Cb -0.15 -1.64 1.63 0.00 0.52 0.00 0.00 34.95 35.31 2yu4 s ARG 62 CO 0.04 0.44 2.06 -0.22 0.02 0.00 0.00 175.30 177.65 2yu4 h LYS 63 N 5.41 0.00 0.00 3.54 3.64 -1.97 0.24 116.57 127.43 2yu4 h LYS 63 Ca -0.40 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.91 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 -0.30 1.03 -2.27 0.00 0.00 179.45 178.38 2yu4 h SER 64 N 0.00 0.00 -0.60 4.20 0.87 -2.04 -2.77 113.55 113.22 2yu4 h SER 64 Ca 0.11 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.48 2yu4 h SER 64 Cb 0.60 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.45 2yu4 h SER 64 CO -0.00 0.30 0.24 0.47 -0.53 0.00 0.00 176.83 177.30 2yu4 n ASP 65 N -3.47 4.18 -4.46 6.23 8.00 0.83 -4.88 116.55 122.97 2yu4 n ASP 65 Ca -0.00 -2.97 -0.35 0.00 0.71 0.00 0.00 54.79 52.18 2yu4 n ASP 65 Cb 0.46 -0.70 -0.12 0.00 -0.02 0.00 0.00 41.12 40.74 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 -2.33 3.31 0.22 0.64 1.43 -1.05 -1.84 118.68 119.07 2yu4 s LEU 66 Ca 0.43 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 2yu4 s LEU 66 Cb 0.35 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 2yu4 s LEU 66 CO 0.11 0.06 -0.06 0.27 0.23 0.00 0.00 176.35 176.95 2yu4 s ILE 67 N 1.06 1.30 -0.24 -0.59 -4.36 -0.24 -4.98 121.20 113.15 2yu4 s ILE 67 Ca 0.02 -2.09 -0.17 0.00 -0.26 0.00 0.00 60.65 58.16 2yu4 s ILE 67 Cb -0.14 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.33 2yu4 s ILE 67 CO 0.02 -0.46 0.45 -1.10 0.24 0.00 0.00 174.94 174.08 2yu4 s GLN 68 N -3.77 4.10 -0.35 0.37 -0.21 -1.26 -0.24 119.66 118.30 2yu4 s GLN 68 Ca 0.25 0.23 -0.21 0.00 0.02 0.00 0.00 55.36 55.64 2yu4 s GLN 68 Cb 0.03 -3.61 0.00 0.00 1.00 0.00 0.00 33.01 30.44 2yu4 s GLN 68 CO 0.07 -0.22 0.69 0.34 -2.12 0.00 0.00 175.29 174.05 2yu4 s ASP 69 N 1.39 6.49 0.03 5.90 -1.08 -1.17 -4.88 116.67 123.35 2yu4 s ASP 69 Ca 0.19 0.30 -0.16 0.00 -0.52 0.00 0.00 52.55 52.36 2yu4 s ASP 69 Cb -0.15 -2.35 -0.34 0.00 -1.46 0.00 0.00 42.92 38.62 2yu4 s ASP 69 CO 0.09 -0.62 1.02 -0.08 0.52 0.00 0.00 175.17 176.10 2yu4 h GLU 70 N 8.39 0.55 -0.31 4.34 4.81 -1.96 -2.38 114.58 128.01 2yu4 h GLU 70 Ca -0.26 -0.87 0.09 0.00 -0.13 0.00 0.00 59.36 58.19 2yu4 h GLU 70 Cb 1.11 0.31 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 2yu4 h GLU 70 CO 0.86 1.41 0.32 0.00 -0.73 0.00 0.00 179.01 180.86 2yu4 h ALA 71 N 0.18 2.02 0.03 2.92 0.00 -2.00 -0.40 119.26 122.02 2yu4 h ALA 71 Ca -0.23 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.35 2yu4 h ALA 71 Cb 2.05 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.83 2yu4 h ALA 71 CO 0.26 -0.48 -1.75 -0.11 0.00 0.00 0.00 179.25 177.17 2yu4 n LEU 72 N -3.85 2.17 -0.20 0.00 0.00 -1.23 -3.77 117.00 110.12 2yu4 n LEU 72 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 56.01 56.37 2yu4 n LEU 72 Cb 0.47 -0.98 0.11 0.00 0.00 0.00 0.00 43.42 43.02 2yu4 n LEU 72 CO 0.29 0.53 0.99 0.03 0.00 0.00 0.00 177.39 179.22 2yu4 h ARG 73 N -0.64 0.39 0.00 1.96 3.08 -0.87 0.11 114.38 118.41 2yu4 h ARG 73 Ca -0.44 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.55 2yu4 h ARG 73 Cb 1.59 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 2yu4 h ARG 73 CO -0.16 0.26 -0.18 0.00 -1.07 0.00 0.00 179.97 178.83 2yu4 h ARG 74 N 0.41 0.00 -0.07 0.04 3.08 -1.28 -2.88 114.38 113.67 2yu4 h ARG 74 Ca 0.31 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 2yu4 h ARG 74 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2yu4 h ARG 74 CO -0.31 0.18 -0.13 0.00 -1.07 0.00 0.00 179.97 178.63 2yu4 h ALA 75 N 1.82 0.11 -0.70 0.04 0.00 -0.92 -2.21 119.26 117.40 2yu4 h ALA 75 Ca -0.00 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 54.69 2yu4 h ALA 75 Cb 0.39 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2yu4 h ALA 75 CO 0.02 -0.00 0.47 0.82 0.00 0.00 0.00 179.25 180.56 2yu4 h ILE 76 N -0.28 0.85 0.03 0.00 2.04 -1.09 -0.39 117.51 118.68 2yu4 h ILE 76 Ca 0.00 -0.15 -0.22 0.00 1.00 0.00 0.00 64.86 65.49 2yu4 h ILE 76 Cb 0.71 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2yu4 h ILE 76 CO 0.03 0.08 -0.99 -0.33 0.00 0.00 0.00 178.15 176.94 2yu4 h GLU 77 N 0.44 0.24 0.00 2.37 5.08 -1.50 -2.23 114.58 118.98 2yu4 h GLU 77 Ca 0.33 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2yu4 h GLU 77 Cb 0.70 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2yu4 h GLU 77 CO -0.10 1.05 -0.10 -0.97 -1.00 0.00 0.00 179.01 177.89 2yu4 h ASN 78 N 0.12 0.00 0.43 1.42 -0.00 -0.43 -1.89 115.58 115.23 2yu4 h ASN 78 Ca -0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 56.30 56.01 2yu4 h ASN 78 Cb 1.66 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.94 2yu4 h ASN 78 CO 0.16 0.10 -1.76 1.57 -0.00 0.00 0.00 177.43 177.50 2yu4 n HIS 79 N -4.02 0.66 0.10 0.67 -0.00 -0.95 -4.13 115.22 107.55 2yu4 n HIS 79 Ca -0.02 0.22 -0.02 0.00 0.46 0.00 0.00 57.72 58.36 2yu4 n HIS 79 Cb 0.19 -1.03 0.22 0.00 -0.12 0.00 0.00 29.99 29.25 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 0.22 -0.10 0.26 -0.73 -0.82 -2.79 115.58 111.63 2yu4 h ASN 80 Ca -0.26 -0.10 0.03 0.00 1.87 0.00 0.00 56.30 57.84 2yu4 h ASN 80 Cb 1.76 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 40.28 2yu4 h ASN 80 CO 0.04 0.64 0.07 0.07 -0.37 0.00 0.00 177.43 177.88 2yu4 h LYS 81 N 0.17 0.00 -0.17 6.67 5.09 -1.52 -1.74 116.57 125.07 2yu4 h LYS 81 Ca 0.01 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 60.55 2yu4 h LYS 81 Cb 0.85 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.19 2yu4 h LYS 81 CO 0.07 0.00 -0.70 0.87 -2.09 0.00 0.00 179.45 177.60 2yu4 h LYS 82 N 0.00 0.77 -3.09 0.07 1.57 -1.70 -3.50 116.57 110.69 2yu4 h LYS 82 Ca 0.05 -0.60 0.34 0.00 -1.87 0.00 0.00 60.65 58.56 2yu4 h LYS 82 Cb 0.19 0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.48 2yu4 h LYS 82 CO -0.00 1.22 -0.87 0.54 -0.57 0.00 0.00 179.45 179.76 2yu4 n ARG 83 N -4.00 -2.88 -1.25 3.15 1.74 -0.66 -4.65 116.66 108.11 2yu4 n ARG 83 Ca -0.07 2.19 -0.10 0.00 -0.77 0.00 0.00 57.85 59.09 2yu4 n ARG 83 Cb 0.70 -3.43 0.12 0.00 -1.02 0.00 0.00 32.46 28.84 2yu4 n ARG 83 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2yu4 n HIS 84 N -4.15 1.48 -2.90 -1.55 -0.00 -1.26 -4.97 115.22 101.86 2yu4 n HIS 84 Ca -0.04 -1.90 -0.00 0.00 0.46 0.00 0.00 57.72 56.24 2yu4 n HIS 84 Cb 0.62 -0.40 0.00 0.00 -0.12 0.00 0.00 29.99 30.09 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 -0.95 -1.26 -3.00 1.57 0.63 -1.26 -4.92 116.66 107.47 2yu4 n ARG 85 Ca 0.34 1.44 -0.44 0.00 -0.92 0.00 0.00 57.85 58.27 2yu4 n ARG 85 Cb 0.87 -5.36 -0.02 0.00 0.45 0.00 0.00 32.46 28.40 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 -2.97 3.37 0.30 -0.14 3.76 -1.26 -4.53 115.29 113.83 2yu4 s HIS 86 Ca 0.01 -1.75 0.00 0.00 -0.15 0.00 0.00 55.06 53.17 2yu4 s HIS 86 Cb -0.00 -4.21 0.00 0.00 1.11 0.00 0.00 32.58 29.47 2yu4 s HIS 86 CO 0.68 -1.37 0.00 0.45 -0.85 0.00 0.00 174.74 173.65 2yu4 n SER 87 N 5.77 -0.90 -4.67 1.40 2.88 -1.26 -5.08 113.62 111.76 2yu4 n SER 87 Ca 0.26 0.53 -0.41 0.00 -1.33 0.00 0.00 58.87 57.92 2yu4 n SER 87 Cb 0.46 1.02 -0.04 0.00 -0.75 0.00 0.00 64.21 64.90 2yu4 n SER 87 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2yu4 s GLU 88 N -1.88 4.28 0.05 -1.46 2.12 -1.26 -5.05 118.70 115.49 2yu4 s GLU 88 Ca 0.00 0.97 0.08 0.00 0.36 0.00 0.00 54.97 56.38 2yu4 s GLU 88 Cb 0.00 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 2yu4 s GLU 88 CO 0.00 -0.33 -0.24 -1.12 -0.54 0.00 0.00 175.26 173.04 2yu4 s SER 89 N 1.17 2.83 0.00 -1.70 0.01 -1.26 -4.92 113.70 109.83 2yu4 s SER 89 Ca 0.37 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2yu4 s SER 89 Cb -0.16 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.82 2yu4 s SER 89 CO 0.12 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.59 2yu4 n GLY 90 N 1.78 -0.22 0.27 3.44 0.00 -1.26 -4.95 105.19 104.24 2yu4 n GLY 90 Ca -0.17 0.27 0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 0.00 1.61 0.13 -2.06 -3.44 132.00 128.24 2yu4 h PRO 91 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 2yu4 h PRO 91 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 2yu4 h PRO 91 CO 0.00 0.06 0.15 -1.13 -0.23 0.00 0.00 178.00 176.85 2yu4 n SER 92 N -3.20 0.46 0.00 1.44 3.41 -1.26 -5.06 113.62 109.41 2yu4 n SER 92 Ca 0.00 -1.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 2yu4 n SER 92 Cb 0.32 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2yu4 n SER 92 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yu4 n SER 93 N -3.20 1.38 0.00 4.04 2.88 -1.26 -5.14 113.62 112.32 2yu4 n SER 93 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2yu4 n SER 93 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 2yu4 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42