#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 3.66 -0.14 1.61 0.01 -1.26 -5.06 113.70 112.52 2yu4 s SER 2 Ca 0.00 1.81 -0.04 0.00 1.31 0.00 0.00 55.95 59.03 2yu4 s SER 2 Cb 0.00 -2.43 0.07 0.00 0.21 0.00 0.00 66.02 63.87 2yu4 s SER 2 CO 0.00 -2.57 0.20 -0.55 0.41 0.00 0.00 173.24 170.73 2yu4 s SER 3 N -3.18 1.01 -0.43 2.44 0.15 -1.26 -5.07 113.70 107.36 2yu4 s SER 3 Ca 0.63 0.11 0.08 0.00 0.70 0.00 0.00 55.95 57.48 2yu4 s SER 3 Cb -0.19 0.37 0.27 0.00 -1.71 0.00 0.00 66.02 64.76 2yu4 s SER 3 CO 0.57 -0.28 0.60 0.61 1.20 0.00 0.00 173.24 175.94 2yu4 n GLY 4 N 5.33 3.35 3.53 9.45 0.00 -1.26 -5.10 105.19 120.49 2yu4 n GLY 4 Ca -0.05 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.63 0.59 -0.34 1.61 0.01 -1.26 -5.05 113.70 107.64 2yu4 s SER 5 Ca 0.37 -1.34 -0.29 0.00 1.31 0.00 0.00 55.95 56.01 2yu4 s SER 5 Cb 0.20 0.65 -0.01 0.00 0.21 0.00 0.00 66.02 67.07 2yu4 s SER 5 CO -0.09 -1.28 1.66 -0.94 0.41 0.00 0.00 173.24 173.00 2yu4 s SER 6 N -3.17 6.09 0.00 2.44 1.04 -1.26 -4.90 113.70 113.94 2yu4 s SER 6 Ca 0.28 1.22 0.00 0.00 0.48 0.00 0.00 55.95 57.93 2yu4 s SER 6 Cb -0.01 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2yu4 s SER 6 CO 0.17 -1.56 0.00 0.61 0.98 0.00 0.00 173.24 173.44 2yu4 n GLY 7 N 5.22 5.67 2.73 7.32 0.00 -1.26 -5.02 105.19 119.84 2yu4 n GLY 7 Ca 0.20 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 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 1.85 0.51 -0.05 1.61 0.08 -1.26 -5.10 117.98 115.61 2yu4 s PHE 8 Ca 0.00 -0.14 0.05 0.00 0.12 0.00 0.00 56.93 56.96 2yu4 s PHE 8 Cb 0.00 -0.73 -0.01 0.00 -0.57 0.00 0.00 43.02 41.71 2yu4 s PHE 8 CO 0.00 -0.34 -0.22 0.95 -0.10 0.00 0.00 175.22 175.51 2yu4 s THR 9 N 2.02 1.81 -0.01 0.64 -4.23 -1.26 -1.95 115.64 112.67 2yu4 s THR 9 Ca 0.04 -0.93 -0.29 0.00 -1.18 0.00 0.00 61.69 59.33 2yu4 s THR 9 Cb -0.13 -1.54 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 2yu4 s THR 9 CO -0.05 0.51 0.93 0.00 -0.54 0.00 0.00 174.62 175.47 2yu4 n PRO 11 N 3.83 0.05 -0.03 0.00 -0.04 -1.26 -0.23 135.00 137.31 2yu4 n PRO 11 Ca 0.05 0.30 -0.03 0.00 -0.04 0.00 0.00 63.50 63.78 2yu4 n PRO 11 Cb 0.51 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.70 0.61 0.25 0.52 5.41 -1.26 -4.54 119.36 118.66 2yu4 n ILE 12 Ca 0.03 0.36 0.14 0.00 1.00 0.00 0.00 62.75 64.28 2yu4 n ILE 12 Cb 0.18 -1.86 0.59 0.00 -0.71 0.00 0.00 39.64 37.84 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 -0.42 0.24 -5.00 1.39 1.35 -1.97 -3.47 112.91 105.03 2yu4 h THR 13 Ca 0.00 -0.76 -0.31 0.00 -0.55 0.00 0.00 66.41 64.78 2yu4 h THR 13 Cb 0.34 1.61 0.12 0.00 -1.73 0.00 0.00 68.15 68.50 2yu4 h THR 13 CO 0.00 0.09 -0.58 0.29 -0.25 0.00 0.00 175.52 175.07 2yu4 n LYS 14 N -3.23 -6.29 -3.99 4.72 4.76 0.68 -5.01 118.16 109.80 2yu4 n LYS 14 Ca 0.00 0.69 -0.10 0.00 -2.87 0.00 0.00 58.31 56.04 2yu4 n LYS 14 Cb 0.36 -5.29 -0.04 0.00 -1.84 0.00 0.00 35.03 28.21 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 1.65 0.53 1.97 -1.05 -1.24 -4.90 118.70 109.84 2yu4 s GLU 15 Ca 0.35 -1.31 -0.21 0.00 -0.15 0.00 0.00 54.97 53.66 2yu4 s GLU 15 Cb -0.15 0.49 -0.07 0.00 -0.44 0.00 0.00 34.13 33.95 2yu4 s GLU 15 CO 0.60 -0.70 0.94 -1.91 0.95 0.00 0.00 175.26 175.15 2yu4 n GLU 16 N -0.42 1.06 -4.18 -4.83 2.13 -1.26 -1.19 120.64 111.95 2yu4 n GLU 16 Ca -0.02 0.40 -0.32 0.00 0.66 0.00 0.00 57.16 57.88 2yu4 n GLU 16 Cb 0.62 -2.08 -0.08 0.00 0.27 0.00 0.00 31.44 30.16 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 -2.40 2.83 -0.00 5.31 -1.94 -0.82 -4.76 119.30 117.51 2yu4 s MET 17 Ca 0.70 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 54.06 2yu4 s MET 17 Cb -0.47 -2.70 -0.00 0.00 2.01 0.00 0.00 34.83 33.66 2yu4 s MET 17 CO 0.52 0.61 -0.00 1.63 -0.01 0.00 0.00 175.02 177.77 2yu4 n LYS 18 N 1.09 2.93 -3.82 2.03 4.76 -1.26 -4.90 118.16 118.98 2yu4 n LYS 18 Ca -0.13 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.03 2yu4 n LYS 18 Cb 0.52 -1.01 -0.12 0.00 -1.84 0.00 0.00 35.03 32.58 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 -2.01 2.05 0.08 1.97 1.02 -1.26 -4.98 119.74 116.61 2yu4 s LYS 19 Ca -0.00 -2.92 -0.31 0.00 0.02 0.00 0.00 55.97 52.76 2yu4 s LYS 19 Cb 0.00 -3.03 -0.07 0.00 -0.52 0.00 0.00 37.83 34.21 2yu4 s LYS 19 CO 0.02 -1.25 1.38 -1.25 -0.92 0.00 0.00 175.35 173.33 2yu4 s PRO 20 N -0.86 4.32 -0.12 -1.68 0.04 -1.26 -1.31 135.00 134.12 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 -0.10 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.11 2yu4 s PRO 20 CO -0.12 -0.46 -0.18 0.14 0.04 0.00 0.00 177.00 176.42 2yu4 s VAL 21 N 1.47 1.72 0.05 -0.36 -7.23 0.87 -2.77 120.40 114.16 2yu4 s VAL 21 Ca 0.64 -0.77 -0.03 0.00 -1.81 0.00 0.00 61.98 60.01 2yu4 s VAL 21 Cb -0.35 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 2yu4 s VAL 21 CO 0.29 0.49 0.25 -0.75 -0.31 0.00 0.00 175.10 175.07 2yu4 s LYS 22 N 0.97 3.51 -0.25 4.82 2.36 -0.48 -1.41 119.74 129.26 2yu4 s LYS 22 Ca -0.06 -0.25 -0.09 0.00 -2.55 0.00 0.00 55.97 53.02 2yu4 s LYS 22 Cb -0.15 -3.02 -0.04 0.00 -1.05 0.00 0.00 37.83 33.57 2yu4 s LYS 22 CO -0.03 0.61 0.13 1.21 1.55 0.00 0.00 175.35 178.82 2yu4 s ASN 23 N -2.16 5.68 0.59 1.43 2.47 -0.92 -2.38 114.94 119.66 2yu4 s ASN 23 Ca 0.33 -0.05 0.34 0.00 0.42 0.00 0.00 52.86 53.89 2yu4 s ASN 23 Cb -0.13 -2.03 1.87 0.00 -1.45 0.00 0.00 41.25 39.51 2yu4 s ASN 23 CO 0.22 -0.00 2.22 0.07 -3.72 0.00 0.00 177.10 175.89 2yu4 h LYS 24 N 8.02 0.00 0.21 0.43 2.10 -1.91 0.24 116.57 125.66 2yu4 h LYS 24 Ca -0.37 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.27 2yu4 h LYS 24 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2yu4 h LYS 24 CO 0.59 0.03 -0.10 0.28 -2.00 0.00 0.00 179.45 178.25 2yu4 h VAL 25 N 0.00 0.00 0.00 0.07 2.07 -1.93 -3.42 116.25 113.04 2yu4 h VAL 25 Ca -0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2yu4 h VAL 25 Cb 0.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2yu4 h VAL 25 CO 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 177.57 177.21 2yu4 n GLY 27 N 1.65 1.48 3.39 0.00 0.00 0.85 -5.00 105.19 107.56 2yu4 n GLY 27 Ca -0.05 0.00 -0.30 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 0.00 -1.40 -4.47 1.61 8.25 -1.26 -4.34 115.22 113.61 2yu4 n HIS 28 Ca 0.00 -0.07 -0.21 0.00 -0.26 0.00 0.00 57.72 57.19 2yu4 n HIS 28 Cb 0.00 -1.64 -0.14 0.00 1.12 0.00 0.00 29.99 29.33 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 -2.33 1.09 0.32 1.59 2.01 -1.26 -2.17 115.64 114.88 2yu4 s THR 29 Ca 0.64 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.85 2yu4 s THR 29 Cb -0.20 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 2yu4 s THR 29 CO 0.66 0.14 0.35 -0.31 -0.69 0.00 0.00 174.62 174.76 2yu4 s TYR 30 N -0.61 1.36 0.27 4.92 2.02 -0.50 -4.91 117.35 119.90 2yu4 s TYR 30 Ca 0.03 -1.45 -0.19 0.00 -0.37 0.00 0.00 57.07 55.09 2yu4 s TYR 30 Cb -0.07 -0.41 -0.09 0.00 -0.40 0.00 0.00 41.96 40.99 2yu4 s TYR 30 CO 0.00 -0.95 0.76 -2.00 -1.57 0.00 0.00 175.55 171.80 2yu4 s GLU 31 N -3.40 4.22 0.02 -0.62 2.12 -1.26 -0.09 118.70 119.68 2yu4 s GLU 31 Ca 0.36 0.88 -0.07 0.00 0.36 0.00 0.00 54.97 56.50 2yu4 s GLU 31 Cb 0.02 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 2yu4 s GLU 31 CO 0.22 0.29 1.10 1.49 -0.54 0.00 0.00 175.26 177.83 2yu4 h GLU 32 N 2.98 -0.17 -0.93 4.30 4.81 -1.57 0.21 114.58 124.21 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 0.03 0.45 1.04 3.32 -1.95 0.30 116.42 119.43 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 39.71 2yu4 h ASP 33 CO -0.02 0.01 -0.22 0.00 -1.72 0.00 0.00 179.24 177.30 2yu4 h ALA 34 N 1.54 -0.72 0.00 3.45 0.00 -1.77 0.25 119.26 122.01 2yu4 h ALA 34 Ca 0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 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 -0.02 -0.68 -0.01 0.97 0.00 0.00 0.00 179.25 179.51 2yu4 h ILE 35 N -0.95 0.08 0.16 0.00 6.09 0.07 0.26 117.51 123.22 2yu4 h ILE 35 Ca -0.06 -0.20 -0.33 0.00 -1.37 0.00 0.00 64.86 62.90 2yu4 h ILE 35 Cb 0.46 1.18 0.00 0.00 0.47 0.00 0.00 36.82 38.94 2yu4 h ILE 35 CO 0.10 0.01 -1.66 0.58 -3.07 0.00 0.00 178.15 174.11 2yu4 h VAL 36 N 0.00 1.03 0.00 2.19 2.07 -0.42 -3.08 116.25 118.04 2yu4 h VAL 36 Ca -0.00 -2.63 -0.10 0.00 0.82 0.00 0.00 66.70 64.79 2yu4 h VAL 36 Cb 0.18 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 2yu4 h VAL 36 CO 0.00 0.84 -0.58 0.08 0.02 0.00 0.00 177.57 177.93 2yu4 h ARG 37 N 0.09 0.00 0.16 1.57 0.11 0.07 -3.11 114.38 113.28 2yu4 h ARG 37 Ca -0.30 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.77 2yu4 h ARG 37 Cb 2.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.15 2yu4 h ARG 37 CO 0.18 0.40 -0.08 1.98 0.10 0.00 0.00 179.97 182.54 2yu4 h MET 38 N 0.00 -0.21 -0.32 0.08 4.05 -0.63 -2.27 114.93 115.64 2yu4 h MET 38 Ca -0.02 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.46 2yu4 h MET 38 Cb 1.35 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 32.15 2yu4 h MET 38 CO 0.05 0.17 0.03 0.82 0.23 0.00 0.00 176.91 178.22 2yu4 h ILE 39 N -0.93 0.81 -0.56 1.77 2.04 -1.67 0.27 117.51 119.23 2yu4 h ILE 39 Ca -0.02 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2yu4 h ILE 39 Cb 0.48 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2yu4 h ILE 39 CO 0.04 0.02 0.31 -0.33 0.00 0.00 0.00 178.15 178.19 2yu4 h GLU 40 N 0.13 0.77 0.00 2.37 4.39 -1.66 0.10 114.58 120.68 2yu4 h GLU 40 Ca 0.15 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 2yu4 h GLU 40 Cb 0.18 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2yu4 h GLU 40 CO -0.22 0.56 -0.35 1.03 -1.16 0.00 0.00 179.01 178.87 2yu4 h SER 41 N 0.78 0.00 0.00 1.42 0.87 -0.67 -2.95 113.55 113.00 2yu4 h SER 41 Ca 0.20 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2yu4 h SER 41 Cb 0.02 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2yu4 h SER 41 CO -0.03 0.35 -0.14 0.03 -0.53 0.00 0.00 176.83 176.51 2yu4 h ARG 42 N 0.00 0.00 -0.40 2.24 2.47 0.56 -3.25 114.38 116.01 2yu4 h ARG 42 Ca -0.00 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.80 2yu4 h ARG 42 Cb 1.09 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.33 2yu4 h ARG 42 CO 0.04 0.51 -0.11 1.96 0.56 0.00 0.00 179.97 182.93 2yu4 h GLN 43 N -1.00 -0.01 -0.18 0.04 1.08 -0.95 0.34 115.11 114.43 2yu4 h GLN 43 Ca -0.03 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.22 2yu4 h GLN 43 Cb 0.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 2yu4 h GLN 43 CO -0.02 -0.01 0.22 1.57 -0.95 0.00 0.00 178.83 179.64 2yu4 h LYS 44 N -0.01 0.00 -0.62 1.46 5.09 -1.68 0.24 116.57 121.04 2yu4 h LYS 44 Ca 0.19 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.74 2yu4 h LYS 44 Cb 0.31 0.00 -0.12 0.00 0.10 0.00 0.00 32.23 32.52 2yu4 h LYS 44 CO -0.42 0.00 0.20 0.54 -2.09 0.00 0.00 179.45 177.68 2yu4 n ARG 45 N -3.70 3.23 -3.93 0.07 1.74 0.79 -4.92 116.66 109.94 2yu4 n ARG 45 Ca 0.02 -3.06 -0.29 0.00 -0.77 0.00 0.00 57.85 53.74 2yu4 n ARG 45 Cb 0.34 -2.10 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 -0.42 -4.83 -3.51 5.56 5.02 0.83 -4.97 118.16 115.84 2yu4 n LYS 46 Ca 0.38 0.55 -0.19 0.00 -2.02 0.00 0.00 58.31 57.03 2yu4 n LYS 46 Cb 1.28 -5.28 -0.04 0.00 -0.02 0.00 0.00 35.03 30.97 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 -4.54 1.28 -4.16 1.97 5.02 0.84 -4.98 118.16 113.59 2yu4 n LYS 47 Ca -0.04 -2.13 -0.17 0.00 -2.02 0.00 0.00 58.31 53.95 2yu4 n LYS 47 Cb 0.56 0.55 -0.12 0.00 -0.02 0.00 0.00 35.03 36.00 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 -3.07 0.72 -0.23 1.97 -2.85 -1.26 -3.93 119.74 111.08 2yu4 s LYS 48 Ca 0.01 -0.83 -0.29 0.00 -1.00 0.00 0.00 55.97 53.86 2yu4 s LYS 48 Cb -0.00 -0.64 0.00 0.00 -2.06 0.00 0.00 37.83 35.13 2yu4 s LYS 48 CO 0.01 0.14 1.18 0.00 0.10 0.00 0.00 175.35 176.78 2yu4 s ALA 49 N -1.20 3.59 0.20 0.59 0.00 -1.26 -4.99 121.76 118.69 2yu4 s ALA 49 Ca -0.04 0.23 0.11 0.00 0.00 0.00 0.00 51.96 52.26 2yu4 s ALA 49 Cb -0.09 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 2yu4 s ALA 49 CO 0.01 -1.31 -0.22 1.52 0.00 0.00 0.00 175.76 175.77 2yu4 s TYR 50 N 3.61 2.18 -0.58 0.00 -0.85 -1.26 -0.62 117.35 119.83 2yu4 s TYR 50 Ca 0.51 -0.38 -0.31 0.00 -0.52 0.00 0.00 57.07 56.37 2yu4 s TYR 50 Cb -0.17 -1.06 -0.13 0.00 0.38 0.00 0.00 41.96 40.98 2yu4 s TYR 50 CO 0.14 0.50 2.41 0.00 -1.52 0.00 0.00 175.55 177.08 2yu4 n PRO 52 N 8.57 0.19 -1.78 0.00 -0.04 -1.26 -4.67 135.00 136.01 2yu4 n PRO 52 Ca 0.47 0.42 -0.39 0.00 -0.04 0.00 0.00 63.50 63.96 2yu4 n PRO 52 Cb 0.29 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 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 -3.31 2.61 -0.56 0.54 2.00 -1.26 -4.86 119.66 114.82 2yu4 s GLN 53 Ca 0.04 1.27 -0.31 0.00 -2.00 0.00 0.00 55.36 54.37 2yu4 s GLN 53 Cb 0.09 -4.43 -0.12 0.00 0.80 0.00 0.00 33.01 29.35 2yu4 s GLN 53 CO 0.38 -2.71 2.40 -0.89 -0.50 0.00 0.00 175.29 173.97 2yu4 n ILE 54 N 7.64 0.05 0.00 -2.34 5.41 -1.26 -1.34 119.36 127.51 2yu4 n ILE 54 Ca 0.29 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.65 2yu4 n ILE 54 Cb 0.51 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 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 6.33 1.17 3.87 7.39 0.00 -1.26 -5.13 105.19 117.56 2yu4 n GLY 55 Ca 0.46 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.36 0.70 -4.54 0.00 7.64 -1.26 -5.00 113.62 109.80 2yu4 n SER 57 Ca 0.03 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.56 2yu4 n SER 57 Cb 0.54 1.38 0.09 0.00 -1.01 0.00 0.00 64.21 65.20 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 -2.41 -0.11 -2.51 1.43 -0.00 -1.26 -4.96 115.22 105.40 2yu4 n HIS 58 Ca -0.16 0.36 -0.02 0.00 -0.00 0.00 0.00 57.72 57.90 2yu4 n HIS 58 Cb 0.79 -1.98 0.05 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 -2.61 0.23 -3.58 3.57 -2.24 -1.26 -3.39 114.28 105.00 2yu4 n THR 59 Ca 0.11 -1.09 -0.29 0.00 -2.27 0.00 0.00 64.05 60.51 2yu4 n THR 59 Cb 0.50 0.93 -0.15 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.67 3.62 -0.05 3.42 1.01 -1.24 -4.52 116.67 117.23 2yu4 s ASP 60 Ca 0.12 -1.41 0.04 0.00 0.71 0.00 0.00 52.55 52.01 2yu4 s ASP 60 Cb 0.30 -0.46 0.00 0.00 1.01 0.00 0.00 42.92 43.78 2yu4 s ASP 60 CO -0.08 -0.43 -0.16 -0.63 0.21 0.00 0.00 175.17 174.08 2yu4 s ILE 61 N 1.94 1.36 0.01 0.77 1.01 0.21 -4.89 121.20 121.61 2yu4 s ILE 61 Ca 0.10 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.17 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 -0.60 0.00 0.00 0.00 174.94 174.20 2yu4 s ARG 62 N 0.26 1.60 0.59 2.79 3.52 -1.26 -4.36 118.95 122.09 2yu4 s ARG 62 Ca -0.08 -0.85 0.29 0.00 -0.13 0.00 0.00 55.73 54.95 2yu4 s ARG 62 Cb -0.13 -1.62 1.64 0.00 -1.56 0.00 0.00 34.95 33.27 2yu4 s ARG 62 CO 0.03 0.43 2.09 -0.22 -0.81 0.00 0.00 175.30 176.82 2yu4 h LYS 63 N 5.28 0.00 0.00 5.12 3.64 -1.98 0.24 116.57 128.87 2yu4 h LYS 63 Ca -0.41 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.93 2yu4 h LYS 63 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2yu4 h LYS 63 CO 0.46 0.00 -0.17 1.03 -2.27 0.00 0.00 179.45 178.50 2yu4 h SER 64 N 0.00 0.00 -0.57 4.20 0.87 -2.04 -2.78 113.55 113.23 2yu4 h SER 64 Ca 0.09 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.50 2yu4 h SER 64 Cb 0.53 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.40 2yu4 h SER 64 CO -0.00 0.17 0.20 0.47 -0.53 0.00 0.00 176.83 177.14 2yu4 n ASP 65 N -3.29 4.24 -4.48 6.23 9.92 0.84 -4.87 116.55 125.13 2yu4 n ASP 65 Ca 0.01 -2.92 -0.37 0.00 -0.53 0.00 0.00 54.79 50.98 2yu4 n ASP 65 Cb 0.43 -0.69 -0.12 0.00 -0.64 0.00 0.00 41.12 40.09 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 -2.29 3.57 0.11 0.64 1.43 -1.05 -3.09 118.68 118.00 2yu4 s LEU 66 Ca 0.43 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 2yu4 s LEU 66 Cb 0.34 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2yu4 s LEU 66 CO 0.11 -0.03 -0.15 0.27 0.23 0.00 0.00 176.35 176.77 2yu4 s ILE 67 N 1.62 1.33 -0.60 -0.59 -4.36 -1.00 -5.00 121.20 112.60 2yu4 s ILE 67 Ca 0.06 -1.59 -0.23 0.00 -0.26 0.00 0.00 60.65 58.64 2yu4 s ILE 67 Cb -0.15 -1.42 0.06 0.00 1.25 0.00 0.00 42.46 42.20 2yu4 s ILE 67 CO 0.05 -0.32 0.91 -1.10 0.24 0.00 0.00 174.94 174.72 2yu4 s GLN 68 N -2.33 3.19 -0.29 0.37 -0.21 -1.26 -1.38 119.66 117.76 2yu4 s GLN 68 Ca 0.06 -0.63 -0.29 0.00 0.02 0.00 0.00 55.36 54.52 2yu4 s GLN 68 Cb -0.07 -4.15 -0.02 0.00 1.00 0.00 0.00 33.01 29.78 2yu4 s GLN 68 CO 0.03 -1.61 1.66 0.34 -2.12 0.00 0.00 175.29 173.59 2yu4 s ASP 69 N 3.23 6.19 0.09 5.90 -1.08 -1.11 -4.88 116.67 125.02 2yu4 s ASP 69 Ca 0.24 1.40 -0.13 0.00 -0.52 0.00 0.00 52.55 53.54 2yu4 s ASP 69 Cb -0.16 -2.53 -0.17 0.00 -1.46 0.00 0.00 42.92 38.60 2yu4 s ASP 69 CO 0.14 -1.45 1.28 -0.08 0.52 0.00 0.00 175.17 175.58 2yu4 h GLU 70 N 11.52 0.77 -0.44 4.34 4.81 -1.94 -1.56 114.58 132.07 2yu4 h GLU 70 Ca -0.33 -0.66 0.13 0.00 -0.13 0.00 0.00 59.36 58.37 2yu4 h GLU 70 Cb 1.15 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2yu4 h GLU 70 CO 1.02 1.26 0.34 0.00 -0.73 0.00 0.00 179.01 180.90 2yu4 h ALA 71 N 0.52 2.35 0.10 2.92 0.00 -2.00 -1.11 119.26 122.05 2yu4 h ALA 71 Ca -0.07 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.47 2yu4 h ALA 71 Cb 1.45 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 2yu4 h ALA 71 CO 0.17 -0.56 -2.04 -0.11 0.00 0.00 0.00 179.25 176.71 2yu4 n LEU 72 N -4.27 2.52 -0.10 0.00 0.00 -1.18 -3.72 117.00 110.25 2yu4 n LEU 72 Ca 0.08 0.18 -0.06 0.00 0.00 0.00 0.00 56.01 56.21 2yu4 n LEU 72 Cb 0.53 -0.99 0.02 0.00 0.00 0.00 0.00 43.42 42.98 2yu4 n LEU 72 CO 0.35 0.83 0.90 0.03 0.00 0.00 0.00 177.39 179.50 2yu4 h ARG 73 N 0.06 0.18 0.00 1.96 3.08 -0.48 -0.69 114.38 118.50 2yu4 h ARG 73 Ca -0.43 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 2yu4 h ARG 73 Cb 2.02 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 32.02 2yu4 h ARG 73 CO 0.07 0.12 -0.19 0.00 -1.07 0.00 0.00 179.97 178.90 2yu4 h ARG 74 N 0.19 0.00 0.29 0.04 3.08 -1.42 -3.03 114.38 113.53 2yu4 h ARG 74 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2yu4 h ARG 74 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2yu4 h ARG 74 CO -0.22 0.19 -0.14 0.00 -1.07 0.00 0.00 179.97 178.73 2yu4 h ALA 75 N 1.81 -0.39 -0.78 0.04 0.00 -1.22 0.57 119.26 119.28 2yu4 h ALA 75 Ca -0.00 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.92 2yu4 h ALA 75 Cb 0.43 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2yu4 h ALA 75 CO 0.02 -0.61 0.53 0.82 0.00 0.00 0.00 179.25 180.01 2yu4 h ILE 76 N -0.62 0.75 0.00 0.00 2.04 -1.31 0.15 117.51 118.53 2yu4 h ILE 76 Ca -0.04 -0.12 -0.17 0.00 1.00 0.00 0.00 64.86 65.53 2yu4 h ILE 76 Cb 0.44 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2yu4 h ILE 76 CO 0.07 0.06 -0.85 -0.33 0.00 0.00 0.00 178.15 177.10 2yu4 h GLU 77 N 0.36 0.00 0.00 2.37 4.39 -1.46 -2.76 114.58 117.48 2yu4 h GLU 77 Ca 0.39 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.03 2yu4 h GLU 77 Cb 0.99 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 2yu4 h GLU 77 CO -0.12 0.76 -0.28 -0.97 -1.16 0.00 0.00 179.01 177.24 2yu4 h ASN 78 N 0.00 0.00 0.50 1.42 -0.73 0.17 0.18 115.58 117.11 2yu4 h ASN 78 Ca -0.03 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 57.90 2yu4 h ASN 78 Cb 1.62 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 40.17 2yu4 h ASN 78 CO 0.10 0.28 -1.68 1.57 -0.37 0.00 0.00 177.43 177.32 2yu4 n HIS 79 N -3.76 0.85 0.14 0.67 -0.00 -0.85 -3.92 115.22 108.34 2yu4 n HIS 79 Ca -0.01 0.30 -0.24 0.00 0.46 0.00 0.00 57.72 58.22 2yu4 n HIS 79 Cb 0.38 -1.11 -0.16 0.00 -0.12 0.00 0.00 29.99 28.98 2yu4 n HIS 79 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 2yu4 h ASN 80 N 0.00 0.81 -0.03 0.26 2.35 -1.26 -3.28 115.58 114.43 2yu4 h ASN 80 Ca -0.26 -0.92 0.01 0.00 -0.55 0.00 0.00 56.30 54.57 2yu4 h ASN 80 Cb 1.85 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.95 2yu4 h ASN 80 CO 0.06 1.71 0.02 0.07 -1.65 0.00 0.00 177.43 177.64 2yu4 h LYS 81 N 0.11 0.00 -0.16 0.81 5.09 -0.82 -1.14 116.57 120.46 2yu4 h LYS 81 Ca -0.26 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.35 2yu4 h LYS 81 Cb 2.14 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.46 2yu4 h LYS 81 CO 0.26 0.00 -0.45 0.87 -2.09 0.00 0.00 179.45 178.04 2yu4 h LYS 82 N 0.00 0.38 -5.52 0.07 1.79 -1.68 -3.48 116.57 108.14 2yu4 h LYS 82 Ca 0.01 -0.20 -0.06 0.00 -2.18 0.00 0.00 60.65 58.22 2yu4 h LYS 82 Cb 0.06 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2yu4 h LYS 82 CO -0.00 0.76 -0.28 -2.13 -1.08 0.00 0.00 179.45 176.72 2yu4 n ARG 83 N -4.00 -1.65 -1.58 3.15 0.63 -0.43 -4.80 116.66 107.98 2yu4 n ARG 83 Ca -0.02 1.60 -0.41 0.00 -0.92 0.00 0.00 57.85 58.10 2yu4 n ARG 83 Cb 0.53 -5.29 -0.03 0.00 0.45 0.00 0.00 32.46 28.11 2yu4 n ARG 83 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2yu4 n HIS 84 N -1.39 1.80 -3.56 -0.14 -0.00 -1.26 -4.89 115.22 105.77 2yu4 n HIS 84 Ca -0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.72 57.66 2yu4 n HIS 84 Cb 0.51 -2.70 -0.05 0.00 -0.00 0.00 0.00 29.99 27.75 2yu4 n HIS 84 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 2yu4 s ARG 85 N 6.91 0.43 0.31 1.57 3.52 -1.26 -5.07 118.95 125.36 2yu4 s ARG 85 Ca 1.01 0.88 0.08 0.00 -0.13 0.00 0.00 55.73 57.57 2yu4 s ARG 85 Cb -0.31 0.33 -0.06 0.00 -1.56 0.00 0.00 34.95 33.35 2yu4 s ARG 85 CO 0.33 -0.11 -0.07 -1.58 -0.81 0.00 0.00 175.30 173.05 2yu4 s HIS 86 N 1.99 2.17 -0.15 5.12 2.46 -1.26 -5.06 115.29 120.56 2yu4 s HIS 86 Ca -0.07 -0.61 0.09 0.00 0.47 0.00 0.00 55.06 54.94 2yu4 s HIS 86 Cb -0.06 -1.25 -0.15 0.00 -0.13 0.00 0.00 32.58 30.99 2yu4 s HIS 86 CO -0.17 0.42 -0.02 0.43 -2.47 0.00 0.00 174.74 172.93 2yu4 n SER 87 N -0.69 1.96 -0.00 9.88 7.64 -1.26 -4.64 113.62 126.51 2yu4 n SER 87 Ca -0.05 -0.03 -0.01 0.00 1.01 0.00 0.00 58.87 59.79 2yu4 n SER 87 Cb 0.64 0.48 -0.00 0.00 -1.01 0.00 0.00 64.21 64.32 2yu4 n SER 87 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2yu4 h GLU 88 N 0.00 -0.04 -4.76 1.43 5.08 -2.09 -3.44 114.58 110.76 2yu4 h GLU 88 Ca -0.38 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.31 2yu4 h GLU 88 Cb 1.76 0.01 -0.34 0.00 0.50 0.00 0.00 28.75 30.68 2yu4 h GLU 88 CO -0.01 -0.03 -0.71 -1.12 -1.00 0.00 0.00 179.01 176.15 2yu4 s SER 89 N -3.82 4.84 0.99 1.42 0.01 -1.26 -5.11 113.70 110.77 2yu4 s SER 89 Ca -0.01 -1.41 -0.10 0.00 1.31 0.00 0.00 55.95 55.75 2yu4 s SER 89 Cb 0.00 -1.69 0.13 0.00 0.21 0.00 0.00 66.02 64.67 2yu4 s SER 89 CO 0.02 -0.28 0.80 0.61 0.41 0.00 0.00 173.24 174.79 2yu4 n GLY 90 N 4.57 -1.30 3.58 3.44 0.00 -1.26 -4.62 105.19 109.60 2yu4 n GLY 90 Ca -0.11 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2yu4 n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu4 s PRO 91 N -4.73 3.15 -0.72 1.61 0.04 -1.26 -4.93 135.00 128.16 2yu4 s PRO 91 Ca 0.45 1.08 -0.26 0.00 0.04 0.00 0.00 61.00 62.31 2yu4 s PRO 91 Cb -0.01 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.30 2yu4 s PRO 91 CO 0.32 -2.08 1.59 -1.54 0.04 0.00 0.00 177.00 175.32 2yu4 s SER 92 N 6.35 5.73 0.02 6.66 1.04 -1.26 -4.49 113.70 127.75 2yu4 s SER 92 Ca 0.72 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.94 2yu4 s SER 92 Cb -0.18 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2yu4 s SER 92 CO 0.29 -2.11 0.00 -1.54 0.98 0.00 0.00 173.24 170.86 2yu4 n SER 93 N 11.13 -0.13 0.00 7.02 3.41 -1.26 -5.19 113.62 128.60 2yu4 n SER 93 Ca 0.16 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2yu4 n SER 93 Cb 0.50 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 2yu4 n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49