#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 0.00 -2.74 1.61 2.88 -1.26 -4.99 113.62 109.12 2yu4 n SER 2 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 2yu4 n SER 2 Cb 0.00 0.04 0.07 0.00 -0.75 0.00 0.00 64.21 63.57 2yu4 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yu4 n SER 3 N -1.37 0.46 0.00 -3.46 3.41 -1.26 -5.11 113.62 106.29 2yu4 n SER 3 Ca 0.00 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 2yu4 n SER 3 Cb 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2yu4 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu4 n GLY 4 N -0.63 4.58 3.36 5.00 0.00 -1.26 -5.17 105.19 111.07 2yu4 n GLY 4 Ca 0.01 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.37 -0.28 1.61 0.01 -1.26 -4.54 113.70 108.87 2yu4 s SER 5 Ca 0.00 0.05 -0.14 0.00 1.31 0.00 0.00 55.95 57.17 2yu4 s SER 5 Cb 0.00 0.48 0.09 0.00 0.21 0.00 0.00 66.02 66.80 2yu4 s SER 5 CO 0.00 -0.74 0.65 -0.44 0.41 0.00 0.00 173.24 173.13 2yu4 s SER 6 N -2.14 -0.95 1.95 2.44 0.01 -1.26 -5.09 113.70 108.65 2yu4 s SER 6 Ca -0.04 1.48 0.00 0.00 1.31 0.00 0.00 55.95 58.70 2yu4 s SER 6 Cb -0.00 1.56 0.00 0.00 0.21 0.00 0.00 66.02 67.79 2yu4 s SER 6 CO -0.04 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2yu4 n GLY 7 N 4.61 2.85 2.81 3.44 0.00 -1.26 -4.34 105.19 113.30 2yu4 n GLY 7 Ca -0.18 0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 1.12 -0.06 1.61 0.08 -1.26 -5.12 117.98 114.35 2yu4 s PHE 8 Ca 0.00 -0.65 0.05 0.00 0.12 0.00 0.00 56.93 56.45 2yu4 s PHE 8 Cb 0.00 -1.04 -0.01 0.00 -0.57 0.00 0.00 43.02 41.40 2yu4 s PHE 8 CO 0.00 -0.50 -0.22 0.95 -0.10 0.00 0.00 175.22 175.35 2yu4 s THR 9 N 1.83 1.81 -0.01 0.64 -4.23 -1.26 -2.19 115.64 112.23 2yu4 s THR 9 Ca 0.02 -0.93 -0.28 0.00 -1.18 0.00 0.00 61.69 59.32 2yu4 s THR 9 Cb -0.14 -1.54 -0.03 0.00 1.34 0.00 0.00 72.50 72.12 2yu4 s THR 9 CO -0.07 0.51 0.91 0.00 -0.54 0.00 0.00 174.62 175.43 2yu4 n PRO 11 N 3.80 0.01 -0.04 0.00 -0.04 -1.26 -0.10 135.00 137.36 2yu4 n PRO 11 Ca 0.04 0.25 -0.04 0.00 -0.04 0.00 0.00 63.50 63.71 2yu4 n PRO 11 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.71 0.25 0.52 5.41 -1.26 -4.55 119.36 118.95 2yu4 n ILE 12 Ca 0.04 0.34 0.14 0.00 1.00 0.00 0.00 62.75 64.26 2yu4 n ILE 12 Cb 0.16 -1.92 0.50 0.00 -0.71 0.00 0.00 39.64 37.68 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 -0.49 0.16 -5.00 1.39 1.35 -1.96 -3.47 112.91 104.89 2yu4 h THR 13 Ca 0.00 -0.81 -0.31 0.00 -0.55 0.00 0.00 66.41 64.73 2yu4 h THR 13 Cb 0.40 1.70 0.12 0.00 -1.73 0.00 0.00 68.15 68.65 2yu4 h THR 13 CO 0.00 0.07 -0.58 0.29 -0.25 0.00 0.00 175.52 175.05 2yu4 n LYS 14 N -3.17 -6.29 -3.97 4.72 4.76 0.85 -5.01 118.16 110.06 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 0.40 -5.29 -0.04 0.00 -1.84 0.00 0.00 35.03 28.25 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 1.62 0.50 1.97 -1.05 -1.24 -4.90 118.70 109.79 2yu4 s GLU 15 Ca 0.35 -1.22 -0.21 0.00 -0.15 0.00 0.00 54.97 53.75 2yu4 s GLU 15 Cb -0.16 0.50 -0.09 0.00 -0.44 0.00 0.00 34.13 33.95 2yu4 s GLU 15 CO 0.60 -0.69 0.85 -1.91 0.95 0.00 0.00 175.26 175.06 2yu4 n GLU 16 N -0.41 0.97 -3.97 -4.83 2.13 -1.26 -1.35 120.64 111.93 2yu4 n GLU 16 Ca -0.02 0.36 -0.35 0.00 0.66 0.00 0.00 57.16 57.81 2yu4 n GLU 16 Cb 0.61 -1.95 -0.12 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 -2.19 3.70 -0.12 5.31 -1.94 -0.93 -4.77 119.30 118.37 2yu4 s MET 17 Ca 0.68 -0.47 0.06 0.00 -1.71 0.00 0.00 55.69 54.24 2yu4 s MET 17 Cb -0.50 -3.18 -0.24 0.00 2.01 0.00 0.00 34.83 32.92 2yu4 s MET 17 CO 0.54 0.01 0.35 1.63 -0.01 0.00 0.00 175.02 177.54 2yu4 n LYS 18 N 4.30 0.69 -3.82 2.03 4.76 -1.26 -4.68 118.16 120.18 2yu4 n LYS 18 Ca -0.17 0.22 -0.28 0.00 -2.87 0.00 0.00 58.31 55.21 2yu4 n LYS 18 Cb 0.52 -1.69 -0.12 0.00 -1.84 0.00 0.00 35.03 31.90 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 -2.56 2.02 0.17 1.97 3.01 -1.26 -5.02 119.74 118.07 2yu4 s LYS 19 Ca -0.15 -2.89 -0.30 0.00 -1.01 0.00 0.00 55.97 51.61 2yu4 s LYS 19 Cb 0.07 -3.00 -0.08 0.00 -1.01 0.00 0.00 37.83 33.81 2yu4 s LYS 19 CO 0.78 -1.25 1.32 -1.25 0.51 0.00 0.00 175.35 175.46 2yu4 s PRO 20 N -0.82 4.37 -0.04 -1.68 0.04 -1.26 -1.08 135.00 134.53 2yu4 s PRO 20 Ca 0.24 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.34 2yu4 s PRO 20 Cb -0.10 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.24 2yu4 s PRO 20 CO -0.12 -0.30 -0.07 0.14 0.04 0.00 0.00 177.00 176.69 2yu4 s VAL 21 N 0.42 0.66 0.14 -0.36 -7.23 0.86 -2.97 120.40 111.92 2yu4 s VAL 21 Ca 0.59 -0.24 -0.05 0.00 -1.81 0.00 0.00 61.98 60.48 2yu4 s VAL 21 Cb -0.36 -0.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 2yu4 s VAL 21 CO 0.36 0.24 0.37 -0.75 -0.31 0.00 0.00 175.10 175.00 2yu4 s LYS 22 N 0.60 3.61 -0.22 4.82 2.36 -1.00 -0.50 119.74 129.41 2yu4 s LYS 22 Ca -0.09 -0.11 -0.16 0.00 -2.55 0.00 0.00 55.97 53.07 2yu4 s LYS 22 Cb -0.12 -2.86 -0.04 0.00 -1.05 0.00 0.00 37.83 33.76 2yu4 s LYS 22 CO 0.01 0.47 0.40 1.21 1.55 0.00 0.00 175.35 178.99 2yu4 s ASN 23 N -2.44 6.39 0.54 1.43 2.47 -0.59 -2.41 114.94 120.34 2yu4 s ASN 23 Ca 0.41 0.46 0.32 0.00 0.42 0.00 0.00 52.86 54.47 2yu4 s ASN 23 Cb -0.12 -2.23 1.49 0.00 -1.45 0.00 0.00 41.25 38.94 2yu4 s ASN 23 CO 0.25 -0.12 2.05 0.11 -3.72 0.00 0.00 177.10 175.66 2yu4 h LYS 24 N 7.61 0.00 0.05 0.43 1.57 -1.51 0.13 116.57 124.86 2yu4 h LYS 24 Ca -0.34 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2yu4 h LYS 24 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2yu4 h LYS 24 CO 0.70 0.08 -0.02 0.28 -0.57 0.00 0.00 179.45 179.91 2yu4 h VAL 25 N 0.00 0.00 0.00 0.50 2.07 -1.92 -3.43 116.25 113.48 2yu4 h VAL 25 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2yu4 h VAL 25 Cb 0.42 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2yu4 h VAL 25 CO 0.01 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.42 2yu4 n GLY 27 N 1.73 1.57 3.16 0.00 0.00 0.46 -5.00 105.19 107.11 2yu4 n GLY 27 Ca -0.03 0.00 -0.27 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 -3.49 -4.60 1.61 8.25 -1.26 -4.25 115.22 111.48 2yu4 n HIS 28 Ca 0.00 -0.63 -0.22 0.00 -0.26 0.00 0.00 57.72 56.60 2yu4 n HIS 28 Cb 0.00 -1.35 -0.15 0.00 1.12 0.00 0.00 29.99 29.62 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 -2.10 1.21 0.30 1.59 -4.23 -1.26 -1.54 115.64 109.61 2yu4 s THR 29 Ca 0.59 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 60.33 2yu4 s THR 29 Cb -0.11 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 72.67 2yu4 s THR 29 CO 0.50 0.23 0.29 -0.31 -0.54 0.00 0.00 174.62 174.79 2yu4 s TYR 30 N -0.54 1.43 0.10 3.99 2.02 0.35 -4.93 117.35 119.77 2yu4 s TYR 30 Ca 0.05 -1.49 -0.11 0.00 -0.37 0.00 0.00 57.07 55.14 2yu4 s TYR 30 Cb -0.07 -0.52 -0.06 0.00 -0.40 0.00 0.00 41.96 40.91 2yu4 s TYR 30 CO 0.00 -0.87 0.45 -2.00 -1.57 0.00 0.00 175.55 171.56 2yu4 s GLU 31 N -3.57 3.83 0.02 -0.62 2.12 -1.26 -0.10 118.70 119.12 2yu4 s GLU 31 Ca 0.38 0.28 -0.06 0.00 0.36 0.00 0.00 54.97 55.93 2yu4 s GLU 31 Cb 0.03 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 2yu4 s GLU 31 CO 0.22 0.53 1.10 1.49 -0.54 0.00 0.00 175.26 178.05 2yu4 h GLU 32 N 3.64 -0.15 -0.98 4.30 4.81 -1.46 0.25 114.58 124.99 2yu4 h GLU 32 Ca -0.49 0.01 0.27 0.00 -0.13 0.00 0.00 59.36 59.02 2yu4 h GLU 32 Cb 1.19 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 2yu4 h GLU 32 CO 0.66 -0.10 0.69 -0.44 -0.73 0.00 0.00 179.01 179.09 2yu4 h ASP 33 N -0.16 0.09 0.46 1.04 5.19 -1.96 0.29 116.42 121.37 2yu4 h ASP 33 Ca -0.01 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2yu4 h ASP 33 Cb 0.15 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 2yu4 h ASP 33 CO -0.02 0.03 -0.22 0.00 -3.12 0.00 0.00 179.24 175.90 2yu4 h ALA 34 N 1.53 -0.74 0.00 3.45 0.00 -1.76 0.25 119.26 122.00 2yu4 h ALA 34 Ca 0.48 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2yu4 h ALA 34 Cb 1.75 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2yu4 h ALA 34 CO -0.06 -0.70 -0.01 0.97 0.00 0.00 0.00 179.25 179.46 2yu4 h ILE 35 N -0.94 0.05 0.17 0.00 6.09 0.16 0.27 117.51 123.30 2yu4 h ILE 35 Ca -0.06 -0.15 -0.34 0.00 -1.37 0.00 0.00 64.86 62.94 2yu4 h ILE 35 Cb 0.47 1.14 0.01 0.00 0.47 0.00 0.00 36.82 38.90 2yu4 h ILE 35 CO 0.10 0.01 -1.69 0.58 -3.07 0.00 0.00 178.15 174.08 2yu4 h VAL 36 N 0.00 1.00 0.00 2.19 2.07 -0.43 -3.07 116.25 118.02 2yu4 h VAL 36 Ca -0.00 -2.59 -0.09 0.00 0.82 0.00 0.00 66.70 64.84 2yu4 h VAL 36 Cb 0.14 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2yu4 h VAL 36 CO 0.00 0.84 -0.51 0.08 0.02 0.00 0.00 177.57 178.00 2yu4 h ARG 37 N 0.10 0.00 0.19 1.57 0.11 0.13 -3.15 114.38 113.33 2yu4 h ARG 37 Ca -0.32 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.76 2yu4 h ARG 37 Cb 2.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.16 2yu4 h ARG 37 CO 0.18 0.37 -0.09 1.98 0.10 0.00 0.00 179.97 182.51 2yu4 h MET 38 N 0.00 -0.25 -0.89 0.08 4.05 -0.62 -1.94 114.93 115.37 2yu4 h MET 38 Ca -0.02 0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.57 2yu4 h MET 38 Cb 1.32 0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 32.10 2yu4 h MET 38 CO 0.05 0.02 0.57 0.82 0.23 0.00 0.00 176.91 178.60 2yu4 h ILE 39 N -1.01 0.81 0.00 1.77 2.04 -1.68 0.33 117.51 119.78 2yu4 h ILE 39 Ca -0.03 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 2yu4 h ILE 39 Cb 0.38 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2yu4 h ILE 39 CO 0.04 0.12 -0.49 -0.33 0.00 0.00 0.00 178.15 177.49 2yu4 h GLU 40 N 0.65 0.00 0.00 2.37 4.39 -1.63 -1.37 114.58 119.00 2yu4 h GLU 40 Ca 0.45 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 60.05 2yu4 h GLU 40 Cb 0.77 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 2yu4 h GLU 40 CO -0.20 0.49 -0.76 1.03 -1.16 0.00 0.00 179.01 178.40 2yu4 h SER 41 N 0.00 0.00 0.00 1.42 0.87 0.17 -3.21 113.55 112.80 2yu4 h SER 41 Ca -0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.41 2yu4 h SER 41 Cb 1.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 2yu4 h SER 41 CO 0.06 0.42 -0.79 0.03 -0.53 0.00 0.00 176.83 176.03 2yu4 h ARG 42 N 0.00 0.00 -0.71 2.24 2.47 -0.45 -3.35 114.38 114.59 2yu4 h ARG 42 Ca -0.05 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.79 2yu4 h ARG 42 Cb 1.37 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.60 2yu4 h ARG 42 CO 0.05 0.93 0.29 1.96 0.56 0.00 0.00 179.97 183.76 2yu4 h GLN 43 N -1.00 0.44 -0.23 0.04 4.20 -1.41 0.35 115.11 117.50 2yu4 h GLN 43 Ca -0.21 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.54 2yu4 h GLN 43 Cb 1.14 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 2yu4 h GLN 43 CO -0.13 0.29 0.26 1.57 -0.67 0.00 0.00 178.83 180.15 2yu4 h LYS 44 N 0.45 0.00 -0.40 1.46 5.09 -1.72 0.21 116.57 121.66 2yu4 h LYS 44 Ca 0.38 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.99 2yu4 h LYS 44 Cb 0.52 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 32.78 2yu4 h LYS 44 CO -0.36 0.00 0.04 0.54 -2.09 0.00 0.00 179.45 177.58 2yu4 n ARG 45 N -3.77 2.59 -2.46 0.07 1.74 0.84 -4.93 116.66 110.74 2yu4 n ARG 45 Ca 0.03 -3.01 -0.13 0.00 -0.77 0.00 0.00 57.85 53.97 2yu4 n ARG 45 Cb 0.39 -1.90 -0.01 0.00 -1.02 0.00 0.00 32.46 29.92 2yu4 n ARG 45 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2yu4 n LYS 46 N -0.73 -2.25 -2.00 5.56 4.81 0.72 -4.94 118.16 119.33 2yu4 n LYS 46 Ca 0.30 0.61 -0.13 0.00 -0.87 0.00 0.00 58.31 58.22 2yu4 n LYS 46 Cb 1.05 -5.21 0.06 0.00 0.02 0.00 0.00 35.03 30.95 2yu4 n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2yu4 n LYS 47 N -2.83 0.46 -4.29 1.64 5.02 0.85 -4.96 118.16 114.04 2yu4 n LYS 47 Ca -0.15 -1.77 -0.20 0.00 -2.02 0.00 0.00 58.31 54.18 2yu4 n LYS 47 Cb 0.61 -0.28 -0.11 0.00 -0.02 0.00 0.00 35.03 35.23 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 -3.82 1.16 -0.40 1.97 -2.85 -1.26 -4.19 119.74 110.35 2yu4 s LYS 48 Ca 0.39 -1.35 -0.19 0.00 -1.00 0.00 0.00 55.97 53.81 2yu4 s LYS 48 Cb -0.03 -1.11 0.01 0.00 -2.06 0.00 0.00 37.83 34.65 2yu4 s LYS 48 CO 0.25 0.22 0.58 0.00 0.10 0.00 0.00 175.35 176.49 2yu4 s ALA 49 N -2.20 3.41 0.21 0.59 0.00 -1.26 -4.97 121.76 117.54 2yu4 s ALA 49 Ca 0.13 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 51.02 2yu4 s ALA 49 Cb -0.05 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2yu4 s ALA 49 CO 0.05 -1.54 0.02 1.52 0.00 0.00 0.00 175.76 175.81 2yu4 s TYR 50 N 2.59 2.84 -0.58 0.00 1.13 -1.26 -1.11 117.35 120.96 2yu4 s TYR 50 Ca 0.20 -0.15 -0.31 0.00 -1.41 0.00 0.00 57.07 55.40 2yu4 s TYR 50 Cb -0.15 -1.33 -0.13 0.00 -1.10 0.00 0.00 41.96 39.25 2yu4 s TYR 50 CO 0.16 0.55 2.41 0.00 -2.51 0.00 0.00 175.55 176.16 2yu4 n PRO 52 N 8.58 0.07 -2.07 0.00 -0.04 -1.26 -4.66 135.00 135.62 2yu4 n PRO 52 Ca 0.47 0.22 -0.40 0.00 -0.04 0.00 0.00 63.50 63.75 2yu4 n PRO 52 Cb 0.29 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.86 2.88 -0.37 0.54 2.00 -1.26 -4.76 119.66 115.83 2yu4 s GLN 53 Ca 0.09 0.81 -0.34 0.00 -2.00 0.00 0.00 55.36 53.92 2yu4 s GLN 53 Cb 0.10 -4.31 -0.11 0.00 0.80 0.00 0.00 33.01 29.48 2yu4 s GLN 53 CO 0.25 -2.42 2.22 -0.89 -0.50 0.00 0.00 175.29 173.94 2yu4 n ILE 54 N 7.23 0.18 0.00 -2.34 -0.00 -1.26 -1.30 119.36 121.87 2yu4 n ILE 54 Ca 0.20 -0.29 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 2yu4 n ILE 54 Cb 0.50 -1.71 0.00 0.00 -0.00 0.00 0.00 39.64 38.43 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 6.48 1.55 3.90 7.39 0.00 -1.26 -5.03 105.19 118.22 2yu4 n GLY 55 Ca 0.41 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 2yu4 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yu4 n SER 57 N -2.07 1.65 -4.58 0.00 2.88 -1.26 -5.01 113.62 105.22 2yu4 n SER 57 Ca 0.01 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.19 2yu4 n SER 57 Cb 0.55 1.17 0.08 0.00 -0.75 0.00 0.00 64.21 65.26 2yu4 n SER 57 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2yu4 n HIS 58 N -2.30 0.36 -2.59 0.66 -0.00 -1.26 -4.96 115.22 105.13 2yu4 n HIS 58 Ca -0.14 0.39 -0.01 0.00 -0.00 0.00 0.00 57.72 57.95 2yu4 n HIS 58 Cb 0.72 -2.05 0.06 0.00 -0.00 0.00 0.00 29.99 28.71 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 -2.37 0.39 -3.58 3.57 -2.24 -1.26 -2.93 114.28 105.85 2yu4 n THR 59 Ca 0.13 -1.42 -0.29 0.00 -2.27 0.00 0.00 64.05 60.19 2yu4 n THR 59 Cb 0.49 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.59 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 -2.03 3.62 -0.06 3.42 1.01 -1.24 -4.36 116.67 117.03 2yu4 s ASP 60 Ca 0.16 -1.40 0.03 0.00 0.71 0.00 0.00 52.55 52.06 2yu4 s ASP 60 Cb 0.33 -0.46 0.00 0.00 1.01 0.00 0.00 42.92 43.81 2yu4 s ASP 60 CO -0.09 -0.43 -0.16 -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 -0.27 -4.80 121.20 121.25 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 -1.20 -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 0.31 1.58 0.59 2.79 0.52 -1.26 -4.54 118.95 118.95 2yu4 s ARG 62 Ca -0.10 -0.86 0.29 0.00 -0.52 0.00 0.00 55.73 54.54 2yu4 s ARG 62 Cb -0.14 -1.62 1.65 0.00 0.52 0.00 0.00 34.95 35.37 2yu4 s ARG 62 CO 0.03 0.43 2.07 -0.22 0.02 0.00 0.00 175.30 177.64 2yu4 h LYS 63 N 5.22 0.00 0.00 3.54 3.64 -1.98 0.24 116.57 127.23 2yu4 h LYS 63 Ca -0.41 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.92 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 -0.24 1.03 -2.27 0.00 0.00 179.45 178.42 2yu4 h SER 64 N 0.00 0.00 -0.63 4.20 0.87 -2.03 -2.72 113.55 113.24 2yu4 h SER 64 Ca 0.10 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.44 2yu4 h SER 64 Cb 0.58 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.41 2yu4 h SER 64 CO -0.00 0.24 0.28 0.47 -0.53 0.00 0.00 176.83 177.29 2yu4 n ASP 65 N -3.44 4.11 -4.44 6.23 8.00 0.83 -4.87 116.55 122.97 2yu4 n ASP 65 Ca -0.00 -3.01 -0.37 0.00 0.71 0.00 0.00 54.79 52.12 2yu4 n ASP 65 Cb 0.43 -0.71 -0.12 0.00 -0.02 0.00 0.00 41.12 40.69 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 -2.38 3.52 0.31 0.64 1.43 -1.03 -1.19 118.68 119.98 2yu4 s LEU 66 Ca 0.44 -0.25 0.09 0.00 -1.03 0.00 0.00 54.13 53.38 2yu4 s LEU 66 Cb 0.35 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 2yu4 s LEU 66 CO 0.10 -0.05 -0.10 0.27 0.23 0.00 0.00 176.35 176.80 2yu4 s ILE 67 N 1.61 2.08 -0.47 -0.59 -4.36 -1.01 -5.00 121.20 113.47 2yu4 s ILE 67 Ca 0.06 -2.21 -0.13 0.00 -0.26 0.00 0.00 60.65 58.11 2yu4 s ILE 67 Cb -0.15 -2.52 0.09 0.00 1.25 0.00 0.00 42.46 41.12 2yu4 s ILE 67 CO 0.04 -0.27 0.37 -1.10 0.24 0.00 0.00 174.94 174.22 2yu4 s GLN 68 N -3.63 2.84 -0.16 0.37 -0.21 -1.26 -2.39 119.66 115.22 2yu4 s GLN 68 Ca 0.31 -1.47 -0.29 0.00 0.02 0.00 0.00 55.36 53.93 2yu4 s GLN 68 Cb 0.02 -4.05 -0.03 0.00 1.00 0.00 0.00 33.01 29.95 2yu4 s GLN 68 CO 0.15 -1.07 1.43 0.34 -2.12 0.00 0.00 175.29 174.02 2yu4 s ASP 69 N 2.63 6.75 -0.08 5.90 -1.08 -1.16 -4.90 116.67 124.73 2yu4 s ASP 69 Ca 0.04 1.77 -0.17 0.00 -0.52 0.00 0.00 52.55 53.66 2yu4 s ASP 69 Cb -0.25 -2.54 -0.29 0.00 -1.46 0.00 0.00 42.92 38.39 2yu4 s ASP 69 CO 0.04 -0.92 0.67 -0.08 0.52 0.00 0.00 175.17 175.41 2yu4 h GLU 70 N 9.09 0.28 -0.62 4.34 4.81 -1.96 -2.71 114.58 127.81 2yu4 h GLU 70 Ca -0.31 -0.48 0.14 0.00 -0.13 0.00 0.00 59.36 58.58 2yu4 h GLU 70 Cb 1.13 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 2yu4 h GLU 70 CO 0.98 1.23 0.42 0.00 -0.73 0.00 0.00 179.01 180.91 2yu4 h ALA 71 N 0.00 2.26 0.17 2.92 0.00 -2.01 -0.66 119.26 121.95 2yu4 h ALA 71 Ca -0.26 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.30 2yu4 h ALA 71 Cb 1.76 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.54 2yu4 h ALA 71 CO 0.10 -0.43 -1.71 1.25 0.00 0.00 0.00 179.25 178.46 2yu4 h LEU 72 N 0.23 0.57 0.16 0.00 6.46 -1.98 -3.31 115.31 117.43 2yu4 h LEU 72 Ca 0.30 -0.85 0.00 0.00 -0.12 0.00 0.00 57.88 57.21 2yu4 h LEU 72 Cb 0.85 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 2yu4 h LEU 72 CO -0.06 1.71 -0.15 0.03 -0.62 0.00 0.00 178.44 179.35 2yu4 h ARG 73 N 0.10 -0.32 -0.90 1.25 3.08 -0.96 -2.12 114.38 114.50 2yu4 h ARG 73 Ca -0.33 0.02 0.18 0.00 0.07 0.00 0.00 59.98 59.92 2yu4 h ARG 73 Cb 2.08 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 32.14 2yu4 h ARG 73 CO 0.17 -0.22 0.58 0.00 -1.07 0.00 0.00 179.97 179.44 2yu4 h ARG 74 N -0.34 0.52 0.15 0.04 3.08 -1.33 -1.33 114.38 115.18 2yu4 h ARG 74 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2yu4 h ARG 74 Cb 0.32 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2yu4 h ARG 74 CO -0.04 0.35 -0.08 0.00 -1.07 0.00 0.00 179.97 179.13 2yu4 h ALA 75 N 1.61 -0.20 -0.21 0.04 0.00 -1.48 0.94 119.26 119.96 2yu4 h ALA 75 Ca 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2yu4 h ALA 75 Cb 0.97 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2yu4 h ALA 75 CO -0.21 -0.62 0.06 0.82 0.00 0.00 0.00 179.25 179.30 2yu4 h ILE 76 N -0.21 1.10 -0.19 0.00 2.04 -0.98 -1.18 117.51 118.09 2yu4 h ILE 76 Ca -0.02 -0.35 -0.21 0.00 1.00 0.00 0.00 64.86 65.28 2yu4 h ILE 76 Cb 0.17 0.89 0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2yu4 h ILE 76 CO 0.03 0.12 -0.72 -0.33 0.00 0.00 0.00 178.15 177.25 2yu4 h GLU 77 N 0.29 0.81 0.00 2.37 4.39 -0.86 -2.01 114.58 119.57 2yu4 h GLU 77 Ca 0.07 -0.62 -0.08 0.00 0.34 0.00 0.00 59.36 59.07 2yu4 h GLU 77 Cb 0.11 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2yu4 h GLU 77 CO -0.00 1.24 -0.37 -0.97 -1.16 0.00 0.00 179.01 177.75 2yu4 h ASN 78 N 0.57 0.00 1.14 1.42 -0.73 -0.29 0.03 115.58 117.71 2yu4 h ASN 78 Ca -0.04 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 57.96 2yu4 h ASN 78 Cb 1.35 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.91 2yu4 h ASN 78 CO 0.15 0.37 -0.89 -0.74 -0.37 0.00 0.00 177.43 175.95 2yu4 h HIS 79 N 0.00 0.00 0.16 0.67 2.76 -1.17 -3.02 115.15 114.55 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 0.79 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.75 2yu4 h HIS 79 CO 0.00 0.76 -1.62 -0.91 -1.30 0.00 0.00 177.93 174.85 2yu4 h ASN 80 N 0.00 0.52 0.59 3.26 2.35 -1.11 -3.31 115.58 117.89 2yu4 h ASN 80 Ca -0.04 -0.73 -0.06 0.00 -0.55 0.00 0.00 56.30 54.91 2yu4 h ASN 80 Cb 1.61 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.80 2yu4 h ASN 80 CO 0.09 1.61 -0.28 0.07 -1.65 0.00 0.00 177.43 177.27 2yu4 h LYS 81 N 0.09 0.00 -0.22 0.81 5.09 -1.10 -3.03 116.57 118.21 2yu4 h LYS 81 Ca -0.29 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.41 2yu4 h LYS 81 Cb 2.07 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.39 2yu4 h LYS 81 CO 0.18 0.28 -0.03 -0.22 -2.09 0.00 0.00 179.45 177.57 2yu4 h LYS 82 N 0.00 0.41 -2.90 0.07 3.64 -1.62 -3.49 116.57 112.68 2yu4 h LYS 82 Ca -0.00 -0.15 0.33 0.00 -1.27 0.00 0.00 60.65 59.55 2yu4 h LYS 82 Cb 0.65 -0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.32 2yu4 h LYS 82 CO 0.04 0.64 -0.73 -2.13 -2.27 0.00 0.00 179.45 175.00 2yu4 n ARG 83 N -4.62 -2.68 -3.88 1.90 0.63 -1.15 -4.67 116.66 102.19 2yu4 n ARG 83 Ca -0.04 1.96 -0.36 0.00 -0.92 0.00 0.00 57.85 58.50 2yu4 n ARG 83 Cb 0.27 -3.22 -0.08 0.00 0.45 0.00 0.00 32.46 29.89 2yu4 n ARG 83 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2yu4 s HIS 84 N -2.91 3.44 -0.72 -0.14 3.76 -1.26 -4.61 115.29 112.85 2yu4 s HIS 84 Ca 0.00 0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 55.25 2yu4 s HIS 84 Cb 0.00 -2.04 -0.01 0.00 1.11 0.00 0.00 32.58 31.64 2yu4 s HIS 84 CO 0.00 0.44 0.67 -2.13 -0.85 0.00 0.00 174.74 172.88 2yu4 n ARG 85 N 2.86 -1.35 -2.10 1.40 3.00 -1.26 -4.87 116.66 114.34 2yu4 n ARG 85 Ca -0.18 1.31 -0.40 0.00 -0.00 0.00 0.00 57.85 58.58 2yu4 n ARG 85 Cb 0.53 -5.42 -0.03 0.00 0.00 0.00 0.00 32.46 27.55 2yu4 n ARG 85 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2yu4 s HIS 86 N -3.06 1.82 0.46 -0.14 5.65 -1.26 -4.96 115.29 113.79 2yu4 s HIS 86 Ca 0.07 0.69 0.05 0.00 0.25 0.00 0.00 55.06 56.12 2yu4 s HIS 86 Cb -0.01 -4.16 -0.03 0.00 -1.18 0.00 0.00 32.58 27.20 2yu4 s HIS 86 CO 0.68 -2.39 0.13 -1.54 -0.65 0.00 0.00 174.74 170.97 2yu4 s SER 87 N 6.91 4.25 -0.33 9.88 1.04 -1.26 -4.92 113.70 129.28 2yu4 s SER 87 Ca 0.67 -1.32 -0.10 0.00 0.48 0.00 0.00 55.95 55.68 2yu4 s SER 87 Cb -0.15 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.92 2yu4 s SER 87 CO 0.25 -0.69 0.28 1.21 0.98 0.00 0.00 173.24 175.27 2yu4 n GLU 88 N -1.26 -2.54 -3.90 4.02 2.13 -1.26 -5.05 120.64 112.78 2yu4 n GLU 88 Ca -0.07 2.16 -0.11 0.00 0.66 0.00 0.00 57.16 59.81 2yu4 n GLU 88 Cb 0.66 -4.56 -0.11 0.00 0.27 0.00 0.00 31.44 27.70 2yu4 n GLU 88 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2yu4 s SER 89 N -1.87 0.06 0.00 4.31 0.15 -1.26 -5.16 113.70 109.93 2yu4 s SER 89 Ca 0.13 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2yu4 s SER 89 Cb -0.03 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2yu4 s SER 89 CO 0.69 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.49 2yu4 n GLY 90 N 1.98 1.71 3.77 9.45 0.00 -1.26 -5.16 105.19 115.68 2yu4 n GLY 90 Ca -0.20 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.62 3.28 -0.30 1.61 0.04 -1.26 -5.06 135.00 131.70 2yu4 s PRO 91 Ca 0.00 1.58 -0.13 0.00 0.04 0.00 0.00 61.00 62.50 2yu4 s PRO 91 Cb 0.00 -2.00 0.13 0.00 0.04 0.00 0.00 34.50 32.68 2yu4 s PRO 91 CO 0.00 -0.90 0.78 -1.54 0.04 0.00 0.00 177.00 175.38 2yu4 s SER 92 N -1.88 -0.91 -0.07 6.66 1.04 -1.26 -5.15 113.70 112.13 2yu4 s SER 92 Ca 0.72 1.29 -0.01 0.00 0.48 0.00 0.00 55.95 58.43 2yu4 s SER 92 Cb -0.23 1.91 0.03 0.00 0.10 0.00 0.00 66.02 67.83 2yu4 s SER 92 CO 0.29 -0.18 -0.00 -0.55 0.98 0.00 0.00 173.24 173.77 2yu4 s SER 93 N 2.48 1.54 0.00 7.02 0.15 -1.26 -5.35 113.70 118.27 2yu4 s SER 93 Ca -0.06 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2yu4 s SER 93 Cb -0.09 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 2yu4 s SER 93 CO -0.18 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.68