#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu4 s SER 2 N 0.00 3.15 -0.15 1.61 1.04 -1.26 -5.14 113.70 112.95 2yu4 s SER 2 Ca 0.00 -1.14 -0.04 0.00 0.48 0.00 0.00 55.95 55.24 2yu4 s SER 2 Cb 0.00 -0.24 0.07 0.00 0.10 0.00 0.00 66.02 65.96 2yu4 s SER 2 CO 0.00 -0.22 0.24 -0.44 0.98 0.00 0.00 173.24 173.80 2yu4 s SER 3 N -3.48 0.71 0.00 7.02 0.01 -1.26 -5.14 113.70 111.56 2yu4 s SER 3 Ca 0.29 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2yu4 s SER 3 Cb 0.01 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2yu4 s SER 3 CO 0.13 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2yu4 n GLY 4 N 5.34 1.30 2.59 3.44 0.00 -1.26 -5.14 105.19 111.45 2yu4 n GLY 4 Ca -0.06 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 2yu4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu4 s SER 5 N 0.00 2.89 -0.06 1.61 0.01 -1.26 -5.04 113.70 111.86 2yu4 s SER 5 Ca 0.00 -0.92 -0.03 0.00 1.31 0.00 0.00 55.95 56.31 2yu4 s SER 5 Cb 0.00 -0.31 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 2yu4 s SER 5 CO 0.00 -0.39 -0.06 0.77 0.41 0.00 0.00 173.24 173.98 2yu4 h SER 6 N 8.40 0.00 0.00 2.44 4.64 -2.05 -3.49 113.55 123.49 2yu4 h SER 6 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2yu4 h SER 6 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2yu4 h SER 6 CO 0.36 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 2yu4 n GLY 7 N 1.75 1.26 2.72 -0.77 0.00 -1.26 -5.11 105.19 103.78 2yu4 n GLY 7 Ca -0.02 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 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 4.52 0.55 -0.02 1.61 0.08 -1.26 -5.12 117.98 118.35 2yu4 s PHE 8 Ca 0.00 -0.22 0.07 0.00 0.12 0.00 0.00 56.93 56.89 2yu4 s PHE 8 Cb 0.00 -0.77 -0.02 0.00 -0.57 0.00 0.00 43.02 41.67 2yu4 s PHE 8 CO 0.00 -0.37 -0.23 0.95 -0.10 0.00 0.00 175.22 175.47 2yu4 s THR 9 N 2.01 1.82 -0.04 0.64 -4.23 -1.26 -1.90 115.64 112.67 2yu4 s THR 9 Ca 0.04 -0.98 -0.25 0.00 -1.18 0.00 0.00 61.69 59.32 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 -0.06 0.51 0.78 0.00 -0.54 0.00 0.00 174.62 175.32 2yu4 n PRO 11 N 3.76 0.17 -0.05 0.00 -0.04 -1.26 -0.11 135.00 137.46 2yu4 n PRO 11 Ca 0.01 0.40 -0.04 0.00 -0.04 0.00 0.00 63.50 63.83 2yu4 n PRO 11 Cb 0.51 -1.83 -0.01 0.00 -0.04 0.00 0.00 33.50 32.13 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 -2.15 0.89 0.25 0.52 5.41 -1.26 -4.50 119.36 118.52 2yu4 n ILE 12 Ca 0.02 0.30 0.14 0.00 1.00 0.00 0.00 62.75 64.21 2yu4 n ILE 12 Cb 0.22 -2.03 0.57 0.00 -0.71 0.00 0.00 39.64 37.69 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 -0.61 0.26 -5.01 1.39 1.35 -1.96 -3.47 112.91 104.85 2yu4 h THR 13 Ca 0.00 -0.79 -0.32 0.00 -0.55 0.00 0.00 66.41 64.75 2yu4 h THR 13 Cb 0.46 1.63 0.12 0.00 -1.73 0.00 0.00 68.15 68.63 2yu4 h THR 13 CO 0.00 0.10 -0.58 0.29 -0.25 0.00 0.00 175.52 175.08 2yu4 n LYS 14 N -3.24 -6.36 -3.67 4.72 4.76 0.84 -5.00 118.16 110.21 2yu4 n LYS 14 Ca 0.00 0.69 -0.12 0.00 -2.87 0.00 0.00 58.31 56.01 2yu4 n LYS 14 Cb 0.36 -5.30 -0.02 0.00 -1.84 0.00 0.00 35.03 28.24 2yu4 n LYS 14 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2yu4 n GLU 15 N -4.09 0.70 -1.89 1.97 0.28 -1.23 -4.90 120.64 111.49 2yu4 n GLU 15 Ca -0.05 -2.40 -0.38 0.00 -0.16 0.00 0.00 57.16 54.18 2yu4 n GLU 15 Cb 0.57 2.42 0.04 0.00 1.43 0.00 0.00 31.44 35.90 2yu4 n GLU 15 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2yu4 s GLU 16 N -2.59 3.12 -0.05 3.44 2.12 -1.26 -0.33 118.70 123.15 2yu4 s GLU 16 Ca 0.24 2.07 -0.01 0.00 0.36 0.00 0.00 54.97 57.63 2yu4 s GLU 16 Cb -0.02 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.18 2yu4 s GLU 16 CO 0.17 -1.16 0.01 -1.64 -0.54 0.00 0.00 175.26 172.11 2yu4 s MET 17 N -3.02 2.94 -0.02 4.30 -1.94 -0.80 -4.74 119.30 116.02 2yu4 s MET 17 Ca 0.73 -0.47 0.01 0.00 -1.71 0.00 0.00 55.69 54.25 2yu4 s MET 17 Cb -0.36 -2.77 -0.02 0.00 2.01 0.00 0.00 34.83 33.69 2yu4 s MET 17 CO 0.42 0.67 0.00 1.63 -0.01 0.00 0.00 175.02 177.74 2yu4 n LYS 18 N 1.80 3.17 -3.82 2.03 4.76 -1.26 -4.89 118.16 119.95 2yu4 n LYS 18 Ca -0.17 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 54.99 2yu4 n LYS 18 Cb 0.53 -1.04 -0.12 0.00 -1.84 0.00 0.00 35.03 32.56 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 2.03 0.05 1.97 3.01 -1.26 -4.96 119.74 118.54 2yu4 s LYS 19 Ca -0.01 -2.89 -0.31 0.00 -1.01 0.00 0.00 55.97 51.75 2yu4 s LYS 19 Cb 0.00 -3.01 -0.07 0.00 -1.01 0.00 0.00 37.83 33.75 2yu4 s LYS 19 CO 0.06 -1.25 1.41 -1.25 0.51 0.00 0.00 175.35 174.82 2yu4 s PRO 20 N -0.83 4.30 -0.14 -1.68 0.04 -1.26 -1.33 135.00 134.10 2yu4 s PRO 20 Ca 0.24 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.33 2yu4 s PRO 20 Cb -0.10 -3.44 0.01 0.00 0.04 0.00 0.00 34.50 31.02 2yu4 s PRO 20 CO -0.12 -0.52 -0.20 0.14 0.04 0.00 0.00 177.00 176.34 2yu4 s VAL 21 N 1.85 1.96 0.06 -0.36 -7.23 0.86 -2.70 120.40 114.85 2yu4 s VAL 21 Ca 0.65 -0.91 -0.08 0.00 -1.81 0.00 0.00 61.98 59.83 2yu4 s VAL 21 Cb -0.34 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 2yu4 s VAL 21 CO 0.29 0.53 0.35 -0.75 -0.31 0.00 0.00 175.10 175.20 2yu4 s LYS 22 N 0.94 3.67 0.29 4.82 2.20 0.26 -1.64 119.74 130.28 2yu4 s LYS 22 Ca -0.05 0.04 -0.03 0.00 -0.36 0.00 0.00 55.97 55.57 2yu4 s LYS 22 Cb -0.15 -3.01 -0.05 0.00 -1.51 0.00 0.00 37.83 33.12 2yu4 s LYS 22 CO -0.04 0.58 0.52 1.21 -0.36 0.00 0.00 175.35 177.26 2yu4 s ASN 23 N -1.85 6.40 0.05 1.43 2.47 -0.89 -1.17 114.94 121.38 2yu4 s ASN 23 Ca 0.32 0.60 0.18 0.00 0.42 0.00 0.00 52.86 54.39 2yu4 s ASN 23 Cb -0.13 -2.10 -0.14 0.00 -1.45 0.00 0.00 41.25 37.43 2yu4 s ASN 23 CO 0.18 -0.19 0.76 0.29 -3.72 0.00 0.00 177.10 174.42 2yu4 n LYS 24 N -1.07 0.63 0.00 0.43 5.02 -0.39 -3.15 118.16 119.62 2yu4 n LYS 24 Ca -0.03 0.15 -0.01 0.00 -2.02 0.00 0.00 58.31 56.40 2yu4 n LYS 24 Cb 0.54 -1.76 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.93 -3.43 116.25 112.78 2yu4 h VAL 25 Ca -0.15 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.02 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 -0.19 0.00 0.02 0.00 0.00 177.57 177.43 2yu4 n GLY 27 N 1.73 1.65 3.23 0.00 0.00 -1.19 -5.00 105.19 105.61 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 -2.07 -4.45 1.61 8.25 -1.26 -4.17 115.22 113.12 2yu4 n HIS 28 Ca 0.00 -0.13 -0.20 0.00 -0.26 0.00 0.00 57.72 57.13 2yu4 n HIS 28 Cb 0.00 -1.50 -0.15 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 0.90 0.31 1.59 2.01 -1.26 -2.10 115.64 114.90 2yu4 s THR 29 Ca 0.56 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 62.02 2yu4 s THR 29 Cb -0.13 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 2yu4 s THR 29 CO 0.57 0.20 0.33 -0.31 -0.69 0.00 0.00 174.62 174.71 2yu4 s TYR 30 N -0.37 1.42 0.28 4.92 2.02 -0.65 -4.91 117.35 120.06 2yu4 s TYR 30 Ca 0.04 -1.48 -0.19 0.00 -0.37 0.00 0.00 57.07 55.06 2yu4 s TYR 30 Cb -0.05 -0.47 -0.09 0.00 -0.40 0.00 0.00 41.96 40.95 2yu4 s TYR 30 CO -0.00 -0.93 0.77 -2.00 -1.57 0.00 0.00 175.55 171.82 2yu4 s GLU 31 N -3.44 4.22 0.02 -0.62 2.12 -1.26 -0.09 118.70 119.64 2yu4 s GLU 31 Ca 0.37 0.88 -0.07 0.00 0.36 0.00 0.00 54.97 56.51 2yu4 s GLU 31 Cb 0.02 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.69 2yu4 s GLU 31 CO 0.23 0.28 1.10 1.49 -0.54 0.00 0.00 175.26 177.82 2yu4 h GLU 32 N 2.94 -0.18 -0.93 4.30 4.81 -1.58 0.21 114.58 124.16 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 -0.18 0.01 0.44 1.04 3.32 -1.95 0.29 116.42 119.39 2yu4 h ASP 33 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2yu4 h ASP 33 Cb 0.16 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2yu4 h ASP 33 CO -0.02 0.00 -0.21 0.00 -1.72 0.00 0.00 179.24 177.30 2yu4 h ALA 34 N 1.54 -0.71 0.00 3.45 0.00 -1.77 0.26 119.26 122.02 2yu4 h ALA 34 Ca 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2yu4 h ALA 34 Cb 1.75 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2yu4 h ALA 34 CO -0.01 -0.67 -0.01 0.97 0.00 0.00 0.00 179.25 179.53 2yu4 h ILE 35 N -0.94 0.08 0.18 0.00 6.09 0.07 0.26 117.51 123.24 2yu4 h ILE 35 Ca -0.06 -0.19 -0.34 0.00 -1.37 0.00 0.00 64.86 62.89 2yu4 h ILE 35 Cb 0.45 1.17 0.01 0.00 0.47 0.00 0.00 36.82 38.93 2yu4 h ILE 35 CO 0.10 0.01 -1.70 0.58 -3.07 0.00 0.00 178.15 174.07 2yu4 h VAL 36 N 0.00 1.00 0.00 2.19 2.07 -0.43 -3.02 116.25 118.06 2yu4 h VAL 36 Ca -0.00 -2.58 -0.12 0.00 0.82 0.00 0.00 66.70 64.83 2yu4 h VAL 36 Cb 0.17 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 2yu4 h VAL 36 CO 0.00 0.85 -0.59 0.08 0.02 0.00 0.00 177.57 177.93 2yu4 h ARG 37 N 0.11 0.00 0.24 1.57 0.11 0.05 -2.96 114.38 113.49 2yu4 h ARG 37 Ca -0.32 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.75 2yu4 h ARG 37 Cb 2.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.18 2yu4 h ARG 37 CO 0.18 0.54 -0.12 1.98 0.10 0.00 0.00 179.97 182.66 2yu4 h MET 38 N 0.00 -0.31 -0.86 0.08 4.05 -0.64 -1.51 114.93 115.74 2yu4 h MET 38 Ca -0.01 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.52 2yu4 h MET 38 Cb 1.43 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 32.23 2yu4 h MET 38 CO 0.07 -0.13 0.51 0.82 0.23 0.00 0.00 176.91 178.41 2yu4 h ILE 39 N -1.06 0.95 -0.29 1.77 2.04 -1.67 0.26 117.51 119.50 2yu4 h ILE 39 Ca -0.03 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 2yu4 h ILE 39 Cb 0.33 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2yu4 h ILE 39 CO 0.05 0.16 -0.03 -0.33 0.00 0.00 0.00 178.15 178.00 2yu4 h GLU 40 N 0.87 0.53 -0.69 2.37 4.39 -1.63 -1.55 114.58 118.87 2yu4 h GLU 40 Ca 0.40 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 2yu4 h GLU 40 Cb 0.33 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 2yu4 h GLU 40 CO -0.23 0.71 0.15 1.03 -1.16 0.00 0.00 179.01 179.51 2yu4 h SER 41 N 0.31 1.04 0.31 1.42 0.87 -0.60 -2.42 113.55 114.49 2yu4 h SER 41 Ca 0.08 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 2yu4 h SER 41 Cb 0.49 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2yu4 h SER 41 CO 0.02 1.01 -0.15 0.03 -0.53 0.00 0.00 176.83 177.21 2yu4 h ARG 42 N 1.04 -0.41 -0.96 2.24 2.47 -0.43 -3.02 114.38 115.32 2yu4 h ARG 42 Ca 0.21 0.03 0.17 0.00 -1.26 0.00 0.00 59.98 59.13 2yu4 h ARG 42 Cb 0.38 0.09 -0.10 0.00 -1.65 0.00 0.00 29.97 28.69 2yu4 h ARG 42 CO 0.00 -0.14 0.56 1.96 0.56 0.00 0.00 179.97 182.91 2yu4 h GLN 43 N -0.64 0.73 -0.57 0.04 4.20 -1.24 0.34 115.11 117.97 2yu4 h GLN 43 Ca -0.04 -0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.79 2yu4 h GLN 43 Cb 0.45 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2yu4 h GLN 43 CO 0.07 0.48 0.41 0.87 -0.67 0.00 0.00 178.83 179.99 2yu4 h LYS 44 N 0.75 0.00 -0.39 1.46 1.79 -1.30 0.17 116.57 119.05 2yu4 h LYS 44 Ca 0.53 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.86 2yu4 h LYS 44 Cb 0.77 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.33 2yu4 h LYS 44 CO -0.36 0.00 0.02 0.54 -1.08 0.00 0.00 179.45 178.57 2yu4 n ARG 45 N -4.36 2.32 -2.67 3.15 1.74 0.79 -4.93 116.66 112.71 2yu4 n ARG 45 Ca 0.11 -3.05 -0.16 0.00 -0.77 0.00 0.00 57.85 53.97 2yu4 n ARG 45 Cb 0.64 -1.87 -0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 -0.88 -2.67 -2.01 5.56 5.02 0.60 -4.95 118.16 118.83 2yu4 n LYS 46 Ca 0.32 0.65 -0.18 0.00 -2.02 0.00 0.00 58.31 57.08 2yu4 n LYS 46 Cb 1.05 -5.31 0.10 0.00 -0.02 0.00 0.00 35.03 30.86 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 -3.13 -0.08 -4.51 1.97 5.02 0.84 -4.95 118.16 113.32 2yu4 n LYS 47 Ca -0.13 -2.00 -0.22 0.00 -2.02 0.00 0.00 58.31 53.95 2yu4 n LYS 47 Cb 0.61 -0.57 -0.14 0.00 -0.02 0.00 0.00 35.03 34.90 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 -4.55 1.07 -0.11 1.97 -2.85 -1.26 -4.26 119.74 109.75 2yu4 s LYS 48 Ca 0.51 -0.68 -0.27 0.00 -1.00 0.00 0.00 55.97 54.52 2yu4 s LYS 48 Cb -0.03 -1.08 -0.02 0.00 -2.06 0.00 0.00 37.83 34.65 2yu4 s LYS 48 CO 0.34 0.28 0.91 0.00 0.10 0.00 0.00 175.35 176.98 2yu4 s ALA 49 N -0.64 3.41 0.14 0.59 0.00 -1.26 -5.02 121.76 118.97 2yu4 s ALA 49 Ca 0.04 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.31 2yu4 s ALA 49 Cb -0.07 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2yu4 s ALA 49 CO 0.01 -0.52 -0.14 1.52 0.00 0.00 0.00 175.76 176.63 2yu4 s TYR 50 N 1.80 1.49 -0.58 0.00 -0.85 -1.26 -1.58 117.35 116.37 2yu4 s TYR 50 Ca 0.44 -0.57 -0.31 0.00 -0.52 0.00 0.00 57.07 56.11 2yu4 s TYR 50 Cb -0.18 -0.75 -0.13 0.00 0.38 0.00 0.00 41.96 41.28 2yu4 s TYR 50 CO 0.17 0.20 2.41 0.00 -1.52 0.00 0.00 175.55 176.81 2yu4 n PRO 52 N 8.57 0.04 -1.96 0.00 -0.04 -1.26 -4.67 135.00 135.69 2yu4 n PRO 52 Ca 0.47 0.29 -0.40 0.00 -0.04 0.00 0.00 63.50 63.82 2yu4 n PRO 52 Cb 0.29 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.14 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 -3.07 2.86 -0.41 0.54 2.00 -1.26 -4.83 119.66 115.49 2yu4 s GLN 53 Ca 0.06 1.07 -0.33 0.00 -2.00 0.00 0.00 55.36 54.16 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 0.29 -2.43 2.26 -0.89 -0.50 0.00 0.00 175.29 174.02 2yu4 n ILE 54 N 7.40 0.15 0.00 -2.34 -0.00 -1.26 -1.31 119.36 122.00 2yu4 n ILE 54 Ca 0.24 -0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 2yu4 n ILE 54 Cb 0.50 -1.73 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 1.50 3.86 7.39 0.00 -1.26 -5.13 105.19 117.99 2yu4 n GLY 55 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.32 0.76 -4.51 0.00 3.41 -1.26 -5.00 113.62 105.69 2yu4 n SER 57 Ca 0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.30 2yu4 n SER 57 Cb 0.54 1.39 0.10 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 -2.39 -0.42 -2.40 7.33 -0.00 -1.26 -4.96 115.22 111.11 2yu4 n HIS 58 Ca -0.15 0.33 -0.03 0.00 -0.00 0.00 0.00 57.72 57.87 2yu4 n HIS 58 Cb 0.77 -1.93 0.03 0.00 -0.00 0.00 0.00 29.99 28.85 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 -2.95 0.16 -3.58 3.57 -2.24 -1.26 -3.52 114.28 104.47 2yu4 n THR 59 Ca 0.10 -0.85 -0.29 0.00 -2.27 0.00 0.00 64.05 60.73 2yu4 n THR 59 Cb 0.51 0.84 -0.15 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.55 3.61 -0.06 3.42 -1.08 -1.24 -4.51 116.67 115.26 2yu4 s ASP 60 Ca 0.11 -1.41 0.03 0.00 -0.52 0.00 0.00 52.55 50.77 2yu4 s ASP 60 Cb 0.25 -0.46 0.01 0.00 -1.46 0.00 0.00 42.92 41.26 2yu4 s ASP 60 CO -0.07 -0.43 -0.15 -0.63 0.52 0.00 0.00 175.17 174.40 2yu4 s ILE 61 N 1.95 1.35 -0.02 4.11 1.01 -0.62 -4.86 121.20 124.13 2yu4 s ILE 61 Ca 0.10 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.18 2yu4 s ILE 61 Cb -0.17 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 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 0.39 1.71 0.59 2.79 0.52 -1.26 -4.48 118.95 119.21 2yu4 s ARG 62 Ca -0.11 -0.75 0.29 0.00 -0.52 0.00 0.00 55.73 54.63 2yu4 s ARG 62 Cb -0.14 -1.65 1.62 0.00 0.52 0.00 0.00 34.95 35.30 2yu4 s ARG 62 CO 0.04 0.45 2.07 -0.22 0.02 0.00 0.00 175.30 177.66 2yu4 h LYS 63 N 5.62 0.00 0.00 3.54 3.64 -1.97 0.24 116.57 127.63 2yu4 h LYS 63 Ca -0.39 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.93 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 0.48 0.00 -0.28 1.03 -2.27 0.00 0.00 179.45 178.41 2yu4 h SER 64 N 0.00 0.00 -0.56 4.20 0.87 -2.04 -2.76 113.55 113.26 2yu4 h SER 64 Ca 0.11 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 2yu4 h SER 64 Cb 0.59 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.46 2yu4 h SER 64 CO -0.00 0.28 0.18 0.47 -0.53 0.00 0.00 176.83 177.23 2yu4 n ASP 65 N -3.43 4.27 -4.55 6.23 8.00 0.84 -4.89 116.55 123.02 2yu4 n ASP 65 Ca 0.00 -2.90 -0.35 0.00 0.71 0.00 0.00 54.79 52.25 2yu4 n ASP 65 Cb 0.46 -0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 40.77 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 -2.27 3.57 0.15 0.64 1.43 -1.04 -1.26 118.68 119.89 2yu4 s LEU 66 Ca 0.43 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 2yu4 s LEU 66 Cb 0.34 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2yu4 s LEU 66 CO 0.11 0.13 -0.05 0.27 0.23 0.00 0.00 176.35 177.04 2yu4 s ILE 67 N 0.62 0.85 -0.26 -0.59 -4.36 -0.32 -5.00 121.20 112.14 2yu4 s ILE 67 Ca 0.01 -1.99 -0.20 0.00 -0.26 0.00 0.00 60.65 58.21 2yu4 s ILE 67 Cb -0.13 -1.93 -0.02 0.00 1.25 0.00 0.00 42.46 41.62 2yu4 s ILE 67 CO 0.02 -0.66 0.61 -1.10 0.24 0.00 0.00 174.94 174.05 2yu4 s GLN 68 N -3.84 4.07 -0.60 0.37 -0.21 -1.26 -0.58 119.66 117.61 2yu4 s GLN 68 Ca 0.19 0.46 -0.23 0.00 0.02 0.00 0.00 55.36 55.80 2yu4 s GLN 68 Cb 0.05 -3.66 0.06 0.00 1.00 0.00 0.00 33.01 30.45 2yu4 s GLN 68 CO 0.01 -0.43 0.92 0.34 -2.12 0.00 0.00 175.29 174.01 2yu4 s ASP 69 N 1.51 6.25 0.22 5.90 2.15 -1.10 -4.88 116.67 126.73 2yu4 s ASP 69 Ca 0.25 -0.69 -0.03 0.00 0.43 0.00 0.00 52.55 52.51 2yu4 s ASP 69 Cb -0.15 -2.41 0.21 0.00 -0.30 0.00 0.00 42.92 40.26 2yu4 s ASP 69 CO 0.09 -1.29 1.62 -0.08 -0.17 0.00 0.00 175.17 175.34 2yu4 h GLU 70 N 9.40 0.69 -0.51 4.34 4.81 -1.95 -2.12 114.58 129.24 2yu4 h GLU 70 Ca -0.27 -0.30 0.15 0.00 -0.13 0.00 0.00 59.36 58.80 2yu4 h GLU 70 Cb 1.07 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2yu4 h GLU 70 CO 1.12 0.90 0.43 0.00 -0.73 0.00 0.00 179.01 180.72 2yu4 h ALA 71 N 1.09 2.35 0.09 2.92 0.00 -1.99 -1.14 119.26 122.58 2yu4 h ALA 71 Ca 0.07 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.59 2yu4 h ALA 71 Cb 0.79 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2yu4 h ALA 71 CO 0.07 -0.69 -2.12 -0.11 0.00 0.00 0.00 179.25 176.40 2yu4 n LEU 72 N -4.06 2.69 -0.08 0.00 0.00 -1.05 -3.88 117.00 110.62 2yu4 n LEU 72 Ca 0.09 0.12 -0.07 0.00 0.00 0.00 0.00 56.01 56.16 2yu4 n LEU 72 Cb 0.64 -1.04 -0.01 0.00 0.00 0.00 0.00 43.42 43.01 2yu4 n LEU 72 CO 0.33 0.87 0.82 0.03 0.00 0.00 0.00 177.39 179.44 2yu4 h ARG 73 N 0.05 0.02 -0.04 1.96 3.08 -0.62 -0.41 114.38 118.43 2yu4 h ARG 73 Ca -0.46 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 2yu4 h ARG 73 Cb 2.00 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 32.04 2yu4 h ARG 73 CO 0.04 0.02 -0.06 0.00 -1.07 0.00 0.00 179.97 178.90 2yu4 h ARG 74 N 0.02 0.05 0.31 0.04 3.08 -1.45 -2.27 114.38 114.16 2yu4 h ARG 74 Ca 0.14 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2yu4 h ARG 74 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2yu4 h ARG 74 CO -0.28 0.12 -0.15 0.00 -1.07 0.00 0.00 179.97 178.59 2yu4 h ALA 75 N 1.89 -0.41 -0.57 0.04 0.00 -1.23 -1.59 119.26 117.40 2yu4 h ALA 75 Ca 0.01 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2yu4 h ALA 75 Cb 0.14 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2yu4 h ALA 75 CO 0.01 -0.57 0.38 0.82 0.00 0.00 0.00 179.25 179.89 2yu4 h ILE 76 N -0.75 0.97 -0.39 0.00 2.04 -1.09 -1.45 117.51 116.85 2yu4 h ILE 76 Ca -0.04 -0.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.49 2yu4 h ILE 76 Cb 0.50 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2yu4 h ILE 76 CO 0.07 0.09 -0.37 -0.33 0.00 0.00 0.00 178.15 177.61 2yu4 h GLU 77 N 0.50 0.93 0.00 2.37 4.39 -1.33 -1.00 114.58 120.44 2yu4 h GLU 77 Ca 0.25 -0.48 -0.05 0.00 0.34 0.00 0.00 59.36 59.42 2yu4 h GLU 77 Cb 0.34 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2yu4 h GLU 77 CO -0.07 1.14 -0.23 -0.97 -1.16 0.00 0.00 179.01 177.72 2yu4 h ASN 78 N 0.75 0.00 0.91 1.42 -1.24 -0.28 0.26 115.58 117.40 2yu4 h ASN 78 Ca 0.06 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.90 2yu4 h ASN 78 Cb 0.96 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.98 2yu4 h ASN 78 CO 0.09 0.23 -1.18 -0.74 -1.29 0.00 0.00 177.43 174.55 2yu4 h HIS 79 N 0.00 0.00 0.22 0.67 2.76 -1.15 -3.28 115.15 114.38 2yu4 h HIS 79 Ca -0.00 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.84 2yu4 h HIS 79 Cb 0.54 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.53 2yu4 h HIS 79 CO 0.00 0.67 -1.49 -0.91 -1.30 0.00 0.00 177.93 174.90 2yu4 h ASN 80 N 0.00 0.74 0.18 3.26 -0.26 -0.77 -3.29 115.58 115.44 2yu4 h ASN 80 Ca -0.12 -0.93 -0.02 0.00 -0.56 0.00 0.00 56.30 54.68 2yu4 h ASN 80 Cb 1.62 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 38.63 2yu4 h ASN 80 CO 0.07 1.71 -0.08 0.07 -1.06 0.00 0.00 177.43 178.13 2yu4 h LYS 81 N 0.07 0.00 -0.44 0.81 5.09 -1.10 -2.31 116.57 118.69 2yu4 h LYS 81 Ca -0.27 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.38 2yu4 h LYS 81 Cb 2.09 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.41 2yu4 h LYS 81 CO 0.23 0.08 -0.08 -0.22 -2.09 0.00 0.00 179.45 177.37 2yu4 h LYS 82 N 0.00 0.83 -0.50 0.07 1.63 -1.62 -3.11 116.57 113.87 2yu4 h LYS 82 Ca -0.00 -0.31 0.01 0.00 -0.85 0.00 0.00 60.65 59.50 2yu4 h LYS 82 Cb 0.19 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 2yu4 h LYS 82 CO 0.01 0.93 0.33 -0.09 -3.45 0.00 0.00 179.45 177.19 2yu4 h ARG 83 N 0.67 0.66 -5.95 1.90 1.12 -1.51 -3.37 114.38 107.89 2yu4 h ARG 83 Ca 0.12 -0.04 -0.45 0.00 -1.11 0.00 0.00 59.98 58.50 2yu4 h ARG 83 Cb 0.61 -0.15 -0.05 0.00 -0.01 0.00 0.00 29.97 30.37 2yu4 h ARG 83 CO 0.04 0.43 1.14 -1.01 -3.11 0.00 0.00 179.97 177.46 2yu4 s HIS 84 N -6.15 1.83 0.30 2.20 3.76 -1.18 -4.97 115.29 111.08 2yu4 s HIS 84 Ca -0.13 0.54 -0.14 0.00 -0.15 0.00 0.00 55.06 55.18 2yu4 s HIS 84 Cb 0.12 -4.17 -0.09 0.00 1.11 0.00 0.00 32.58 29.55 2yu4 s HIS 84 CO 0.74 -2.08 0.69 -0.98 -0.85 0.00 0.00 174.74 172.25 2yu4 s ARG 85 N 6.75 3.95 -0.23 1.40 1.70 -1.26 -4.71 118.95 126.56 2yu4 s ARG 85 Ca 0.63 0.56 -0.08 0.00 -0.47 0.00 0.00 55.73 56.38 2yu4 s ARG 85 Cb -0.09 -2.49 0.03 0.00 -0.57 0.00 0.00 34.95 31.83 2yu4 s ARG 85 CO 0.11 0.20 0.16 0.72 -1.08 0.00 0.00 175.30 175.41 2yu4 n HIS 86 N -0.31 -4.30 -3.63 5.89 8.25 -1.26 -5.04 115.22 114.81 2yu4 n HIS 86 Ca 0.03 2.31 -0.24 0.00 -0.26 0.00 0.00 57.72 59.55 2yu4 n HIS 86 Cb 0.53 -3.95 -0.17 0.00 1.12 0.00 0.00 29.99 27.52 2yu4 n HIS 86 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2yu4 s SER 87 N -1.01 1.94 -0.43 0.41 0.01 -1.26 -5.11 113.70 108.25 2yu4 s SER 87 Ca -0.19 -0.38 -0.20 0.00 1.31 0.00 0.00 55.95 56.49 2yu4 s SER 87 Cb 0.01 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.07 2yu4 s SER 87 CO 0.79 -0.32 0.62 -0.70 0.41 0.00 0.00 173.24 174.04 2yu4 s GLU 88 N 2.15 3.28 0.15 12.44 2.12 -1.26 -5.04 118.70 132.55 2yu4 s GLU 88 Ca 0.03 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 2yu4 s GLU 88 Cb -0.15 -3.95 -0.08 0.00 0.26 0.00 0.00 34.13 30.22 2yu4 s GLU 88 CO -0.07 -0.99 1.29 -1.54 -0.54 0.00 0.00 175.26 173.41 2yu4 s SER 89 N 1.98 6.95 0.00 -1.70 1.04 -1.26 -4.91 113.70 115.80 2yu4 s SER 89 Ca 0.22 2.28 0.00 0.00 0.48 0.00 0.00 55.95 58.93 2yu4 s SER 89 Cb -0.14 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2yu4 s SER 89 CO 0.18 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2yu4 n GLY 90 N 2.75 -1.77 0.25 7.32 0.00 -1.26 -5.03 105.19 107.45 2yu4 n GLY 90 Ca 0.08 0.82 0.13 0.00 0.00 0.00 0.00 46.02 47.05 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 -5.55 1.61 0.13 -2.04 -3.48 132.00 122.67 2yu4 h PRO 91 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2yu4 h PRO 91 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2yu4 h PRO 91 CO 0.00 0.12 -0.18 0.43 -0.23 0.00 0.00 178.00 178.14 2yu4 n SER 92 N -3.31 -7.42 -0.08 1.44 7.64 -1.26 -4.99 113.62 105.64 2yu4 n SER 92 Ca -0.00 -0.15 -0.11 0.00 1.01 0.00 0.00 58.87 59.62 2yu4 n SER 92 Cb 0.35 -4.83 -0.05 0.00 -1.01 0.00 0.00 64.21 58.67 2yu4 n SER 92 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2yu4 h SER 93 N 0.47 0.00 0.00 6.43 0.02 -2.06 -3.58 113.55 114.83 2yu4 h SER 93 Ca -0.09 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2yu4 h SER 93 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2yu4 h SER 93 CO 0.30 1.01 0.00 0.61 -1.14 0.00 0.00 176.83 177.62