#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yj9 n LYS 2 N 0.00 0.14 -2.69 4.33 2.85 -1.26 -4.81 118.16 116.72 1yj9 n LYS 2 Ca 0.00 -0.12 -0.43 0.00 -1.05 0.00 0.00 58.31 56.71 1yj9 n LYS 2 Cb 0.00 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.86 1yj9 n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1yj9 s GLN 3 N -2.94 4.23 0.31 -1.58 -0.21 -1.26 -4.95 119.66 113.27 1yj9 s GLN 3 Ca 0.09 1.28 0.08 0.00 0.02 0.00 0.00 55.36 56.83 1yj9 s GLN 3 Cb 0.16 -3.65 0.89 0.00 1.00 0.00 0.00 33.01 31.41 1yj9 s GLN 3 CO 0.83 -0.64 1.66 -1.35 -2.12 0.00 0.00 175.29 173.67 1yj9 h PRO 4 N 7.54 0.27 0.14 2.91 0.11 -1.99 -1.35 132.00 139.64 1yj9 h PRO 4 Ca -0.20 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.91 1yj9 h PRO 4 Cb 1.06 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 1yj9 h PRO 4 CO 0.97 0.18 -0.49 0.22 -0.21 0.00 0.00 178.00 178.67 1yj9 h ASP 5 N 0.28 -1.46 -0.69 -2.05 3.58 -2.00 -1.25 116.42 112.85 1yj9 h ASP 5 Ca 0.64 0.15 -0.02 0.00 0.42 0.00 0.00 57.03 58.22 1yj9 h ASP 5 Cb 1.37 0.54 -0.03 0.00 1.72 0.00 0.00 39.33 42.93 1yj9 h ASP 5 CO -0.63 -0.54 0.33 0.11 -2.88 0.00 0.00 179.24 175.64 1yj9 h LYS 6 N -0.74 0.99 0.21 0.28 1.57 -1.69 -1.36 116.57 115.83 1yj9 h LYS 6 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1yj9 h LYS 6 Cb 0.74 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1yj9 h LYS 6 CO -0.26 0.78 -0.50 1.96 -0.57 0.00 0.00 179.45 180.86 1yj9 h GLN 7 N 0.95 -0.75 -0.80 3.15 1.08 -0.99 0.83 115.11 118.59 1yj9 h GLN 7 Ca 0.24 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.56 1yj9 h GLN 7 Cb 0.11 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 1yj9 h GLN 7 CO -0.03 -0.50 0.52 0.00 -0.95 0.00 0.00 178.83 177.87 1yj9 h ARG 8 N -0.78 0.82 0.38 1.46 3.08 -1.17 -2.15 114.38 116.02 1yj9 h ARG 8 Ca -0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1yj9 h ARG 8 Cb 0.75 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1yj9 h ARG 8 CO -0.22 0.54 -0.18 -0.22 -1.07 0.00 0.00 179.97 178.82 1yj9 h LYS 9 N 0.85 -0.49 -0.54 0.04 3.64 -0.34 -1.52 116.57 118.20 1yj9 h LYS 9 Ca 0.35 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.85 1yj9 h LYS 9 Cb 0.26 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1yj9 h LYS 9 CO -0.12 -0.31 0.37 0.66 -2.27 0.00 0.00 179.45 177.78 1yj9 h SER 10 N -0.55 0.32 0.06 4.20 4.64 -0.43 -0.74 113.55 121.05 1yj9 h SER 10 Ca -0.05 0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.05 1yj9 h SER 10 Cb 0.41 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1yj9 h SER 10 CO 0.09 0.19 -0.86 1.56 -0.87 0.00 0.00 176.83 176.94 1yj9 h GLN 11 N 0.35 0.62 0.00 4.77 4.20 -1.10 -2.73 115.11 121.22 1yj9 h GLN 11 Ca 0.25 -0.57 -0.13 0.00 0.06 0.00 0.00 58.65 58.26 1yj9 h GLN 11 Cb 0.52 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1yj9 h GLN 11 CO -0.06 1.19 -0.61 0.00 -0.67 0.00 0.00 178.83 178.67 1yj9 h ARG 12 N 0.40 0.00 -0.35 1.46 3.08 -0.58 -3.31 114.38 115.08 1yj9 h ARG 12 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1yj9 h ARG 12 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1yj9 h ARG 12 CO 0.16 0.61 0.00 0.54 -1.07 0.00 0.00 179.97 180.22 1yj9 n ARG 13 N -3.29 2.88 -1.73 0.04 1.74 -0.35 -5.01 116.66 110.93 1yj9 n ARG 13 Ca 0.01 -2.08 -0.42 0.00 -0.77 0.00 0.00 57.85 54.59 1yj9 n ARG 13 Cb 0.76 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 30.88 1yj9 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yj9 s ALA 14 N -1.07 3.93 0.76 7.54 0.00 -1.03 -4.94 121.76 126.95 1yj9 s ALA 14 Ca 0.24 1.57 -0.15 0.00 0.00 0.00 0.00 51.96 53.62 1yj9 s ALA 14 Cb 0.13 -3.70 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1yj9 s ALA 14 CO 0.16 -0.94 0.67 -2.30 0.00 0.00 0.00 175.76 173.35 1yj9 n PRO 15 N 4.10 0.25 -0.30 0.00 -0.02 -1.26 -4.68 135.00 133.08 1yj9 n PRO 15 Ca 0.16 0.13 0.01 0.00 -2.02 0.00 0.00 63.50 61.78 1yj9 n PRO 15 Cb 0.35 -1.98 0.07 0.00 -0.02 0.00 0.00 33.50 31.93 1yj9 n PRO 15 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1yj9 h LEU 16 N -0.57 -1.03 -0.84 2.45 3.38 -1.99 -1.50 115.31 115.22 1yj9 h LEU 16 Ca -0.46 0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1yj9 h LEU 16 Cb 1.33 0.60 -0.03 0.00 0.09 0.00 0.00 40.66 42.65 1yj9 h LEU 16 CO 0.43 -0.29 0.11 1.12 0.09 0.00 0.00 178.44 179.90 1yj9 h HIS 17 N -0.03 1.03 0.00 1.13 2.07 -2.02 -0.89 115.15 116.44 1yj9 h HIS 17 Ca 0.36 -0.12 0.00 0.00 -2.85 0.00 0.00 60.37 57.76 1yj9 h HIS 17 Cb 0.61 -0.29 0.00 0.00 2.57 0.00 0.00 27.41 30.30 1yj9 h HIS 17 CO -0.71 0.87 0.00 0.39 -3.07 0.00 0.00 177.93 175.41 1yj9 n GLU 18 N -4.23 0.09 -0.06 5.12 1.02 -0.58 -2.35 120.64 119.65 1yj9 n GLU 18 Ca 0.04 0.25 -0.16 0.00 -0.02 0.00 0.00 57.16 57.27 1yj9 n GLU 18 Cb 0.27 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 1yj9 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yj9 h ARG 19 N 0.00 0.79 -0.85 3.49 2.47 -0.93 -3.33 114.38 116.02 1yj9 h ARG 19 Ca 0.00 -0.56 0.14 0.00 -1.26 0.00 0.00 59.98 58.30 1yj9 h ARG 19 Cb 0.09 0.09 -0.14 0.00 -1.65 0.00 0.00 29.97 28.36 1yj9 h ARG 19 CO 0.00 1.18 -0.31 0.72 0.56 0.00 0.00 179.97 182.13 1yj9 n HIS 20 N -4.04 0.09 0.00 3.04 8.25 -0.99 0.11 115.22 121.68 1yj9 n HIS 20 Ca -0.06 1.05 0.00 0.00 -0.26 0.00 0.00 57.72 58.45 1yj9 n HIS 20 Cb 0.65 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.90 1yj9 n HIS 20 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1yj9 n LYS 21 N -5.29 0.00 -0.02 -0.41 2.85 -1.25 -0.18 118.16 113.86 1yj9 n LYS 21 Ca 0.10 0.25 0.12 0.00 -1.05 0.00 0.00 58.31 57.73 1yj9 n LYS 21 Cb 0.36 -1.56 0.17 0.00 -0.65 0.00 0.00 35.03 33.35 1yj9 n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1yj9 n GLN 22 N -1.21 2.26 -0.50 -1.58 6.02 0.30 -4.05 117.38 118.62 1yj9 n GLN 22 Ca 0.00 -1.84 0.07 0.00 -0.01 0.00 0.00 57.00 55.22 1yj9 n GLN 22 Cb 0.06 -1.47 0.15 0.00 1.02 0.00 0.00 30.24 30.00 1yj9 n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1yj9 n VAL 23 N 1.21 1.72 -3.01 5.09 0.24 0.75 -4.79 118.33 119.54 1yj9 n VAL 23 Ca 0.15 -2.45 -0.39 0.00 -2.04 0.00 0.00 64.34 59.61 1yj9 n VAL 23 Cb 0.57 -0.06 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 1yj9 n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1yj9 s ARG 24 N -2.56 4.52 0.20 7.34 0.52 -1.24 -2.42 118.95 125.31 1yj9 s ARG 24 Ca 0.33 1.10 0.09 0.00 -0.52 0.00 0.00 55.73 56.72 1yj9 s ARG 24 Cb 0.31 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1yj9 s ARG 24 CO -0.04 0.51 -0.17 0.00 0.02 0.00 0.00 175.30 175.62 1yj9 s ALA 25 N -0.88 2.10 0.41 2.13 0.00 0.14 -4.34 121.76 121.31 1yj9 s ALA 25 Ca 0.36 -1.61 -0.25 0.00 0.00 0.00 0.00 51.96 50.46 1yj9 s ALA 25 Cb -0.22 -0.15 -0.08 0.00 0.00 0.00 0.00 23.12 22.66 1yj9 s ALA 25 CO 0.25 0.17 1.18 -0.08 0.00 0.00 0.00 175.76 177.28 1yj9 s THR 26 N -2.50 3.08 0.07 0.00 -1.32 -1.24 0.05 115.64 113.79 1yj9 s THR 26 Ca 0.20 0.91 -0.12 0.00 -1.21 0.00 0.00 61.69 61.47 1yj9 s THR 26 Cb -0.04 -3.51 -0.06 0.00 -1.51 0.00 0.00 72.50 67.39 1yj9 s THR 26 CO 0.08 0.08 0.44 -0.76 -2.21 0.00 0.00 174.62 172.24 1yj9 s LEU 27 N -2.53 4.39 1.31 9.08 1.43 -0.02 -1.55 118.68 130.78 1yj9 s LEU 27 Ca 0.58 0.91 -0.19 0.00 -1.03 0.00 0.00 54.13 54.39 1yj9 s LEU 27 Cb -0.31 -2.93 0.31 0.00 0.03 0.00 0.00 46.19 43.29 1yj9 s LEU 27 CO 0.39 0.20 0.75 -1.54 0.23 0.00 0.00 176.35 176.39 1yj9 n SER 28 N 1.15 -3.30 0.15 2.29 3.41 -0.93 -4.54 113.62 111.85 1yj9 n SER 28 Ca -0.09 -0.58 -0.13 0.00 -0.26 0.00 0.00 58.87 57.82 1yj9 n SER 28 Cb 0.52 -1.03 -0.08 0.00 -0.26 0.00 0.00 64.21 63.37 1yj9 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yj9 h ALA 29 N -3.17 -0.41 -0.99 7.33 0.00 -1.98 -0.19 119.26 119.86 1yj9 h ALA 29 Ca -0.45 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 54.49 1yj9 h ALA 29 Cb 1.25 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 19.08 1yj9 h ALA 29 CO 0.30 -0.53 0.58 -0.44 0.00 0.00 0.00 179.25 179.16 1yj9 h ASP 30 N -0.81 0.68 0.05 0.00 3.32 -1.99 0.51 116.42 118.18 1yj9 h ASP 30 Ca -0.04 0.12 -0.20 0.00 0.02 0.00 0.00 57.03 56.93 1yj9 h ASP 30 Cb 0.51 0.01 0.02 0.00 0.22 0.00 0.00 39.33 40.10 1yj9 h ASP 30 CO 0.07 0.16 -0.80 -0.07 -1.72 0.00 0.00 179.24 176.87 1yj9 h LEU 31 N 0.63 0.62 -1.29 1.55 3.38 -1.89 -1.30 115.31 117.00 1yj9 h LEU 31 Ca 0.61 -0.81 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1yj9 h LEU 31 Cb 1.07 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1yj9 h LEU 31 CO -0.44 1.36 0.50 0.03 0.09 0.00 0.00 178.44 179.97 1yj9 h ARG 32 N -0.04 0.89 0.50 1.13 3.08 -0.40 -0.81 114.38 118.73 1yj9 h ARG 32 Ca -0.11 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1yj9 h ARG 32 Cb 1.53 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1yj9 h ARG 32 CO 0.16 0.59 -0.24 1.49 -1.07 0.00 0.00 179.97 180.90 1yj9 h GLU 33 N 0.92 -0.64 -0.77 0.04 4.57 -0.90 -0.83 114.58 116.97 1yj9 h GLU 33 Ca 0.30 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 1yj9 h GLU 33 Cb 0.05 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 1yj9 h GLU 33 CO -0.09 -0.41 0.42 1.49 -1.18 0.00 0.00 179.01 179.25 1yj9 h GLU 34 N -0.71 1.07 -0.18 1.92 4.81 -0.42 -3.30 114.58 117.77 1yj9 h GLU 34 Ca -0.07 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1yj9 h GLU 34 Cb 0.53 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1yj9 h GLU 34 CO 0.11 0.79 0.00 0.66 -0.73 0.00 0.00 179.01 179.84 1yj9 n TYR 35 N -4.45 0.23 -3.53 0.92 4.02 -0.38 -5.03 117.16 108.94 1yj9 n TYR 35 Ca 0.07 -0.33 -0.26 0.00 -0.01 0.00 0.00 57.90 57.38 1yj9 n TYR 35 Cb 0.09 -0.02 0.05 0.00 -0.02 0.00 0.00 39.34 39.44 1yj9 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1yj9 n GLY 36 N 0.35 -1.06 3.38 2.72 0.00 -0.32 -4.78 105.19 105.48 1yj9 n GLY 36 Ca 0.08 0.50 -0.16 0.00 0.00 0.00 0.00 46.02 46.44 1yj9 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yj9 s GLN 37 N -5.40 0.88 0.11 1.61 -0.21 -1.21 -4.98 119.66 110.46 1yj9 s GLN 37 Ca 0.47 0.03 0.15 0.00 0.02 0.00 0.00 55.36 56.02 1yj9 s GLN 37 Cb -0.13 0.40 -0.10 0.00 1.00 0.00 0.00 33.01 34.18 1yj9 s GLN 37 CO 0.82 -0.26 1.02 -0.09 -2.12 0.00 0.00 175.29 174.65 1yj9 h ARG 38 N 3.39 0.00 -3.59 2.91 2.43 -1.94 -3.38 114.38 114.20 1yj9 h ARG 38 Ca -0.28 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.76 1yj9 h ARG 38 Cb 1.16 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 1yj9 h ARG 38 CO 0.40 0.45 0.00 0.54 -1.51 0.00 0.00 179.97 179.85 1yj9 s ASN 39 N -6.10 0.35 0.15 -3.80 6.03 -1.26 -0.84 114.94 109.46 1yj9 s ASN 39 Ca -0.01 -1.21 -0.11 0.00 -1.03 0.00 0.00 52.86 50.50 1yj9 s ASN 39 Cb 0.08 0.72 0.01 0.00 -3.03 0.00 0.00 41.25 39.03 1yj9 s ASN 39 CO 0.80 -1.40 0.32 0.54 -2.03 0.00 0.00 177.10 175.32 1yj9 s VAL 40 N -3.05 0.08 -0.84 3.54 0.11 0.11 -4.79 120.40 115.57 1yj9 s VAL 40 Ca 0.23 -1.13 -0.25 0.00 -2.93 0.00 0.00 61.98 57.90 1yj9 s VAL 40 Cb -0.02 -1.58 0.04 0.00 -1.53 0.00 0.00 36.38 33.29 1yj9 s VAL 40 CO 0.14 -0.36 1.31 -0.60 -3.33 0.00 0.00 175.10 172.26 1yj9 s ARG 41 N -3.90 3.33 0.22 1.54 3.52 -1.23 0.28 118.95 122.71 1yj9 s ARG 41 Ca 0.11 -0.64 -0.21 0.00 -0.13 0.00 0.00 55.73 54.86 1yj9 s ARG 41 Cb 0.03 -4.61 -0.14 0.00 -1.56 0.00 0.00 34.95 28.67 1yj9 s ARG 41 CO -0.05 -2.13 0.31 0.28 -0.81 0.00 0.00 175.30 172.90 1yj9 n VAL 42 N 6.48 1.26 -4.28 7.11 0.31 -1.01 -4.95 118.33 123.25 1yj9 n VAL 42 Ca 0.13 -0.41 -0.15 0.00 -0.01 0.00 0.00 64.34 63.90 1yj9 n VAL 42 Cb 0.49 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.32 1yj9 n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1yj9 s ASN 43 N -0.83 1.68 -1.29 4.52 0.01 -1.26 -4.96 114.94 112.82 1yj9 s ASN 43 Ca 0.52 -1.14 -0.18 0.00 -0.71 0.00 0.00 52.86 51.35 1yj9 s ASN 43 Cb -0.69 0.03 0.03 0.00 0.41 0.00 0.00 41.25 41.03 1yj9 s ASN 43 CO 0.48 -0.46 1.92 0.00 -1.51 0.00 0.00 177.10 177.53 1yj9 n ALA 44 N -0.30 3.91 0.00 0.60 0.00 -1.26 -2.60 120.51 120.86 1yj9 n ALA 44 Ca -0.07 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.65 1yj9 n ALA 44 Cb 0.63 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.50 1yj9 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yj9 n GLY 45 N 5.00 0.39 3.40 0.00 0.00 -1.18 -4.97 105.19 107.84 1yj9 n GLY 45 Ca 0.49 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 46.13 1yj9 n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yj9 n ASP 46 N 0.00 -1.98 -4.63 1.61 9.92 -1.07 -4.60 116.55 115.80 1yj9 n ASP 46 Ca 0.00 0.47 -0.31 0.00 -0.53 0.00 0.00 54.79 54.41 1yj9 n ASP 46 Cb 0.00 -1.17 -0.09 0.00 -0.64 0.00 0.00 41.12 39.22 1yj9 n ASP 46 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1yj9 s THR 47 N -2.10 3.78 0.05 -3.53 2.01 0.10 -2.07 115.64 113.89 1yj9 s THR 47 Ca 0.60 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 1yj9 s THR 47 Cb -0.29 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 1yj9 s THR 47 CO 0.64 0.28 0.06 -0.69 -0.69 0.00 0.00 174.62 174.22 1yj9 s VAL 48 N -1.12 0.17 -0.16 3.82 1.01 -0.03 -0.53 120.40 123.56 1yj9 s VAL 48 Ca 0.20 -1.39 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 1yj9 s VAL 48 Cb -0.11 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1yj9 s VAL 48 CO 0.12 -0.77 -0.12 -1.83 0.00 0.00 0.00 175.10 172.50 1yj9 s GLU 49 N -3.35 3.35 -0.24 2.72 -1.05 0.11 -0.81 118.70 119.44 1yj9 s GLU 49 Ca 0.01 -0.68 -0.29 0.00 -0.15 0.00 0.00 54.97 53.86 1yj9 s GLU 49 Cb 0.03 -2.72 -0.03 0.00 -0.44 0.00 0.00 34.13 30.98 1yj9 s GLU 49 CO -0.08 0.08 1.66 0.08 0.95 0.00 0.00 175.26 177.95 1yj9 s VAL 50 N 0.70 3.64 -0.79 1.83 1.01 0.28 -1.31 120.40 125.75 1yj9 s VAL 50 Ca -0.06 0.71 0.23 0.00 0.00 0.00 0.00 61.98 62.86 1yj9 s VAL 50 Cb -0.15 -3.68 -0.15 0.00 0.00 0.00 0.00 36.38 32.39 1yj9 s VAL 50 CO 0.02 -0.31 1.01 0.18 0.00 0.00 0.00 175.10 176.00 1yj9 n LEU 51 N 8.78 0.69 0.00 3.92 4.77 0.51 0.21 117.00 135.88 1yj9 n LEU 51 Ca 0.20 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1yj9 n LEU 51 Cb 0.45 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1yj9 n LEU 51 CO 0.65 0.14 -0.09 0.54 -1.33 0.00 0.00 177.39 177.30 1yj9 n ARG 52 N -1.72 0.09 0.00 3.23 5.12 -1.16 -4.83 116.66 117.40 1yj9 n ARG 52 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1yj9 n ARG 52 Cb 0.39 -0.59 0.00 0.00 -1.16 0.00 0.00 32.46 31.09 1yj9 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yj9 n GLY 53 N 1.76 -2.97 0.17 -0.13 0.00 -1.26 -4.52 105.19 98.24 1yj9 n GLY 53 Ca 0.00 -1.16 0.14 0.00 0.00 0.00 0.00 46.02 45.00 1yj9 n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yj9 h ASP 54 N 0.00 0.00 0.06 1.61 3.45 -2.00 -2.44 116.42 117.09 1yj9 h ASP 54 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1yj9 h ASP 54 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1yj9 h ASP 54 CO 0.00 0.00 -0.90 0.49 -1.57 0.00 0.00 179.24 177.26 1yj9 n PHE 55 N -2.55 0.00 -1.04 4.55 3.01 -1.26 -4.97 117.46 115.20 1yj9 n PHE 55 Ca 0.02 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 58.01 1yj9 n PHE 55 Cb 0.31 -0.03 -0.09 0.00 -0.01 0.00 0.00 39.48 39.66 1yj9 n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yj9 n ALA 56 N -1.38 -0.11 0.00 4.37 0.00 -0.92 -0.79 120.51 121.67 1yj9 n ALA 56 Ca 0.05 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1yj9 n ALA 56 Cb 0.34 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1yj9 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yj9 n GLY 57 N 5.10 1.52 3.93 0.00 0.00 0.56 -4.91 105.19 111.39 1yj9 n GLY 57 Ca 0.38 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.14 1yj9 n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yj9 s GLU 58 N 0.00 3.52 0.16 1.61 2.02 0.03 -4.83 118.70 121.21 1yj9 s GLU 58 Ca 0.00 -0.29 0.08 0.00 0.02 0.00 0.00 54.97 54.78 1yj9 s GLU 58 Cb 0.00 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 1yj9 s GLU 58 CO 0.00 0.24 -0.18 -2.00 0.02 0.00 0.00 175.26 173.35 1yj9 s GLU 59 N -3.88 1.24 0.04 1.61 2.12 -1.26 0.99 118.70 119.55 1yj9 s GLU 59 Ca 0.40 -1.38 -0.27 0.00 0.36 0.00 0.00 54.97 54.08 1yj9 s GLU 59 Cb -0.10 -1.28 0.09 0.00 0.26 0.00 0.00 34.13 33.11 1yj9 s GLU 59 CO 0.33 0.26 1.22 0.20 -0.54 0.00 0.00 175.26 176.72 1yj9 s GLY 60 N -2.63 -0.11 -0.21 -1.50 0.00 0.01 -4.92 107.32 97.97 1yj9 s GLY 60 Ca 0.15 0.04 -0.16 0.00 0.00 0.00 0.00 44.72 44.74 1yj9 s GLY 60 CO 0.06 3.92 0.41 1.85 0.00 0.00 0.00 173.10 179.34 1yj9 s GLU 61 N -2.14 4.16 -0.69 2.90 2.12 -1.26 -0.85 118.70 122.94 1yj9 s GLU 61 Ca 0.25 0.22 -0.26 0.00 0.36 0.00 0.00 54.97 55.54 1yj9 s GLU 61 Cb -0.00 -3.55 -0.09 0.00 0.26 0.00 0.00 34.13 30.75 1yj9 s GLU 61 CO 0.00 -0.07 2.26 0.08 -0.54 0.00 0.00 175.26 176.99 1yj9 s VAL 62 N 1.42 3.12 0.05 3.70 1.01 -0.88 -1.43 120.40 127.40 1yj9 s VAL 62 Ca 0.19 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 1yj9 s VAL 62 Cb -0.15 -3.30 -0.13 0.00 0.00 0.00 0.00 36.38 32.80 1yj9 s VAL 62 CO 0.08 -0.29 1.47 0.40 0.00 0.00 0.00 175.10 176.77 1yj9 h ILE 63 N 7.52 1.26 -4.01 2.22 1.08 -1.04 -3.13 117.51 121.41 1yj9 h ILE 63 Ca -0.10 -0.88 -0.15 0.00 -0.39 0.00 0.00 64.86 63.35 1yj9 h ILE 63 Cb 1.11 1.56 -0.19 0.00 -3.07 0.00 0.00 36.82 36.23 1yj9 h ILE 63 CO 1.12 0.26 -0.67 0.21 -0.69 0.00 0.00 178.15 178.37 1yj9 s ASN 64 N -5.79 0.29 -0.20 1.72 2.47 -1.05 -4.90 114.94 107.48 1yj9 s ASN 64 Ca -0.14 -0.62 -0.04 0.00 0.42 0.00 0.00 52.86 52.48 1yj9 s ASN 64 Cb 0.06 0.14 0.07 0.00 -1.45 0.00 0.00 41.25 40.06 1yj9 s ASN 64 CO 0.72 -0.40 0.08 -0.69 -3.72 0.00 0.00 177.10 173.08 1yj9 s VAL 65 N -2.19 0.17 -0.28 -5.21 1.01 -1.26 -1.01 120.40 111.63 1yj9 s VAL 65 Ca -0.09 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 1yj9 s VAL 65 Cb -0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1yj9 s VAL 65 CO -0.04 -0.32 0.34 -0.62 0.00 0.00 0.00 175.10 174.46 1yj9 s ASP 66 N 2.02 6.21 0.06 3.32 -1.08 0.68 -4.97 116.67 122.90 1yj9 s ASP 66 Ca 0.02 0.21 -0.11 0.00 -0.52 0.00 0.00 52.55 52.15 1yj9 s ASP 66 Cb -0.16 -2.19 -0.29 0.00 -1.46 0.00 0.00 42.92 38.81 1yj9 s ASP 66 CO -0.12 -0.17 1.10 -0.07 0.52 0.00 0.00 175.17 176.43 1yj9 h LEU 67 N 8.57 0.69 0.45 -1.34 3.38 -1.95 0.26 115.31 125.38 1yj9 h LEU 67 Ca -0.32 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 56.94 1yj9 h LEU 67 Cb 1.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1yj9 h LEU 67 CO 0.63 1.53 -0.47 -0.78 0.09 0.00 0.00 178.44 179.44 1yj9 h ASP 68 N 0.16 -1.30 -0.29 -0.43 -0.00 -1.96 -2.14 116.42 110.46 1yj9 h ASP 68 Ca -0.19 0.11 0.00 0.00 -0.00 0.00 0.00 57.03 56.95 1yj9 h ASP 68 Cb 1.99 0.43 0.00 0.00 -0.00 0.00 0.00 39.33 41.76 1yj9 h ASP 68 CO 0.23 -0.62 0.00 0.29 -0.00 0.00 0.00 179.24 179.15 1yj9 n LYS 69 N -5.29 1.83 -3.72 0.28 5.02 -1.26 -4.96 118.16 110.05 1yj9 n LYS 69 Ca -0.11 -1.11 -0.26 0.00 -2.02 0.00 0.00 58.31 54.81 1yj9 n LYS 69 Cb 0.43 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1yj9 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1yj9 n ALA 70 N 0.36 -2.52 -3.13 7.82 0.00 -0.43 -4.97 120.51 117.64 1yj9 n ALA 70 Ca 0.10 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 1yj9 n ALA 70 Cb 0.31 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 1yj9 n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yj9 s VAL 71 N -3.06 0.05 0.09 0.00 1.01 -0.05 -4.79 120.40 113.65 1yj9 s VAL 71 Ca 0.10 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1yj9 s VAL 71 Cb -0.06 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1yj9 s VAL 71 CO 0.79 -0.22 -0.14 0.27 0.00 0.00 0.00 175.10 175.79 1yj9 s ILE 72 N -3.70 1.22 -0.18 2.22 -4.36 -0.67 -0.23 121.20 115.50 1yj9 s ILE 72 Ca 0.02 -1.50 -0.06 0.00 -0.26 0.00 0.00 60.65 58.85 1yj9 s ILE 72 Cb 0.01 -1.29 -0.03 0.00 1.25 0.00 0.00 42.46 42.39 1yj9 s ILE 72 CO -0.12 -0.31 0.02 -1.00 0.24 0.00 0.00 174.94 173.77 1yj9 s HIS 73 N -1.67 3.12 0.17 1.37 3.76 -0.18 -1.12 115.29 120.74 1yj9 s HIS 73 Ca 0.03 -0.18 0.07 0.00 -0.15 0.00 0.00 55.06 54.82 1yj9 s HIS 73 Cb -0.08 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.52 1yj9 s HIS 73 CO 0.02 -0.02 0.04 0.08 -0.85 0.00 0.00 174.74 174.01 1yj9 s VAL 74 N 0.58 3.94 0.23 -0.90 1.01 -1.26 -0.40 120.40 123.60 1yj9 s VAL 74 Ca 0.00 -1.33 -0.32 0.00 0.00 0.00 0.00 61.98 60.34 1yj9 s VAL 74 Cb -0.14 -2.99 -0.12 0.00 0.00 0.00 0.00 36.38 33.13 1yj9 s VAL 74 CO 0.02 -0.11 1.66 1.21 0.00 0.00 0.00 175.10 177.88 1yj9 n GLU 75 N -0.19 2.65 -0.93 2.72 4.07 -0.51 -2.36 120.64 126.09 1yj9 n GLU 75 Ca -0.09 0.95 0.00 0.00 -0.06 0.00 0.00 57.16 57.96 1yj9 n GLU 75 Cb 0.55 -2.76 0.00 0.00 -0.06 0.00 0.00 31.44 29.17 1yj9 n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1yj9 n ASP 76 N 3.32 -4.44 -4.35 4.31 8.00 -1.26 -4.65 116.55 117.49 1yj9 n ASP 76 Ca 0.14 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.18 1yj9 n ASP 76 Cb 0.34 -2.74 -0.01 0.00 -0.02 0.00 0.00 41.12 38.69 1yj9 n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1yj9 s VAL 77 N -1.27 5.71 0.42 2.53 1.01 -1.00 -5.00 120.40 122.81 1yj9 s VAL 77 Ca 0.00 -2.88 0.03 0.00 0.00 0.00 0.00 61.98 59.13 1yj9 s VAL 77 Cb 0.00 -4.58 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 1yj9 s VAL 77 CO 0.00 -1.17 0.11 0.35 0.00 0.00 0.00 175.10 174.39 1yj9 n THR 78 N 3.50 0.00 -4.28 3.92 -2.24 -1.26 -1.30 114.28 112.63 1yj9 n THR 78 Ca 0.21 -2.34 -0.17 0.00 -2.27 0.00 0.00 64.05 59.47 1yj9 n THR 78 Cb 0.43 0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 69.28 1yj9 n THR 78 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1yj9 s LEU 79 N 0.00 2.04 -0.46 3.22 1.43 0.44 -4.70 118.68 120.66 1yj9 s LEU 79 Ca 0.16 -0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 52.87 1yj9 s LEU 79 Cb 0.01 -0.39 0.03 0.00 0.03 0.00 0.00 46.19 45.87 1yj9 s LEU 79 CO 0.11 0.07 0.67 -0.70 0.23 0.00 0.00 176.35 176.73 1yj9 s GLU 80 N -0.34 3.26 1.40 1.70 2.12 -1.26 -0.17 118.70 125.41 1yj9 s GLU 80 Ca 0.02 -0.44 -0.23 0.00 0.36 0.00 0.00 54.97 54.68 1yj9 s GLU 80 Cb -0.04 -3.98 0.36 0.00 0.26 0.00 0.00 34.13 30.73 1yj9 s GLU 80 CO -0.00 -1.08 0.96 0.15 -0.54 0.00 0.00 175.26 174.74 1yj9 s LYS 81 N 2.88 -2.79 0.00 4.30 1.02 -0.62 -4.88 119.74 119.66 1yj9 s LYS 81 Ca 0.22 0.05 -0.25 0.00 0.02 0.00 0.00 55.97 56.01 1yj9 s LYS 81 Cb -0.15 -1.40 -0.18 0.00 -0.52 0.00 0.00 37.83 35.58 1yj9 s LYS 81 CO 0.18 -4.76 1.31 1.15 -0.92 0.00 0.00 175.35 172.30 1yj9 h THR 82 N -3.33 1.07 0.00 2.17 2.02 -1.97 -2.90 112.91 109.97 1yj9 h THR 82 Ca -0.42 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1yj9 h THR 82 Cb 1.33 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1yj9 h THR 82 CO 0.27 0.19 0.02 -0.90 0.37 0.00 0.00 175.52 175.47 1yj9 n ASP 83 N -4.99 0.00 0.00 4.18 5.68 -1.26 -4.72 116.55 115.45 1yj9 n ASP 83 Ca -0.09 0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1yj9 n ASP 83 Cb 0.22 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1yj9 n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yj9 n GLY 84 N -1.10 0.91 3.38 6.12 0.00 -1.09 -5.08 105.19 108.32 1yj9 n GLY 84 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1yj9 n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yj9 s GLU 85 N -0.86 -2.05 -0.16 1.61 2.12 -1.26 -4.71 118.70 113.39 1yj9 s GLU 85 Ca 0.00 0.55 -0.04 0.00 0.36 0.00 0.00 54.97 55.84 1yj9 s GLU 85 Cb 0.00 -1.45 0.06 0.00 0.26 0.00 0.00 34.13 33.00 1yj9 s GLU 85 CO 0.00 -4.40 0.07 -2.00 -0.54 0.00 0.00 175.26 168.40 1yj9 s GLU 86 N -4.66 0.18 0.21 4.30 2.12 -1.26 -1.59 118.70 118.00 1yj9 s GLU 86 Ca 0.69 -0.11 0.11 0.00 0.36 0.00 0.00 54.97 56.02 1yj9 s GLU 86 Cb -0.21 -1.76 -0.04 0.00 0.26 0.00 0.00 34.13 32.38 1yj9 s GLU 86 CO 0.63 -0.63 -0.18 0.14 -0.54 0.00 0.00 175.26 174.68 1yj9 s VAL 87 N 2.08 2.69 0.35 3.70 -7.23 0.77 -4.86 120.40 117.90 1yj9 s VAL 87 Ca 0.02 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 1yj9 s VAL 87 Cb -0.16 -2.33 -0.11 0.00 0.56 0.00 0.00 36.38 34.34 1yj9 s VAL 87 CO -0.08 -0.17 1.46 -2.16 -0.31 0.00 0.00 175.10 173.84 1yj9 s PRO 88 N -2.89 4.17 -0.51 4.82 0.04 -1.26 0.17 135.00 139.54 1yj9 s PRO 88 Ca 0.24 2.48 -0.15 0.00 0.04 0.00 0.00 61.00 63.61 1yj9 s PRO 88 Cb -0.08 -3.01 0.11 0.00 0.04 0.00 0.00 34.50 31.57 1yj9 s PRO 88 CO 0.13 -0.47 0.44 0.50 0.04 0.00 0.00 177.00 177.64 1yj9 s ARG 89 N -1.70 2.91 0.61 4.56 6.06 -0.42 -4.73 118.95 126.26 1yj9 s ARG 89 Ca 0.54 -1.61 -0.18 0.00 -2.50 0.00 0.00 55.73 51.99 1yj9 s ARG 89 Cb -0.45 -4.19 -0.14 0.00 0.06 0.00 0.00 34.95 30.23 1yj9 s ARG 89 CO 0.58 -1.22 -0.21 -2.30 -2.50 0.00 0.00 175.30 169.65 1yj9 n PRO 90 N 5.18 0.03 -4.11 5.12 -0.02 -1.26 -4.78 135.00 135.16 1yj9 n PRO 90 Ca -0.13 0.01 -0.11 0.00 -2.02 0.00 0.00 63.50 61.25 1yj9 n PRO 90 Cb 0.41 -1.06 -0.11 0.00 -0.02 0.00 0.00 33.50 32.73 1yj9 n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yj9 s LEU 91 N 5.27 2.40 -0.23 2.45 1.43 -0.27 -4.94 118.68 124.78 1yj9 s LEU 91 Ca 0.54 -0.81 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 1yj9 s LEU 91 Cb -0.43 -0.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 1yj9 s LEU 91 CO 0.69 -0.37 0.11 -0.62 0.23 0.00 0.00 176.35 176.40 1yj9 s ASP 92 N -2.40 5.72 0.56 2.29 -1.08 -1.26 -1.67 116.67 118.82 1yj9 s ASP 92 Ca 0.02 0.01 0.35 0.00 -0.52 0.00 0.00 52.55 52.40 1yj9 s ASP 92 Cb -0.01 -2.02 1.50 0.00 -1.46 0.00 0.00 42.92 40.93 1yj9 s ASP 92 CO -0.03 0.05 1.78 0.71 0.52 0.00 0.00 175.17 178.21 1yj9 h THR 93 N 5.16 0.37 -0.07 1.71 1.35 -1.86 0.11 112.91 119.67 1yj9 h THR 93 Ca -0.37 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.51 1yj9 h THR 93 Cb 1.17 0.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1yj9 h THR 93 CO 0.63 0.00 0.08 -1.28 -0.25 0.00 0.00 175.52 174.70 1yj9 h SER 94 N 0.00 0.00 -0.55 5.36 0.87 -1.92 -0.93 113.55 116.38 1yj9 h SER 94 Ca 0.50 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.88 1yj9 h SER 94 Cb 2.14 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 64.00 1yj9 h SER 94 CO -0.01 0.00 0.15 0.59 -0.53 0.00 0.00 176.83 177.04 1yj9 n ASN 95 N -3.95 3.94 -4.21 6.23 3.02 0.39 -4.96 115.26 115.71 1yj9 n ASN 95 Ca -0.01 -3.34 -0.14 0.00 -0.03 0.00 0.00 54.58 51.05 1yj9 n ASN 95 Cb 0.18 -0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.56 1yj9 n ASN 95 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1yj9 s VAL 96 N -3.05 1.07 -0.07 2.41 0.11 -0.35 -0.36 120.40 120.16 1yj9 s VAL 96 Ca 0.50 -1.85 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 1yj9 s VAL 96 Cb 0.41 -1.61 0.02 0.00 -1.53 0.00 0.00 36.38 33.68 1yj9 s VAL 96 CO 0.09 -0.64 -0.04 -0.60 -3.33 0.00 0.00 175.10 170.58 1yj9 s ARG 97 N -3.24 0.92 -0.15 1.54 3.52 -0.43 -3.72 118.95 117.39 1yj9 s ARG 97 Ca 0.11 -0.08 -0.29 0.00 -0.13 0.00 0.00 55.73 55.34 1yj9 s ARG 97 Cb -0.00 -1.04 -0.02 0.00 -1.56 0.00 0.00 34.95 32.32 1yj9 s ARG 97 CO 0.00 -0.18 1.33 0.08 -0.81 0.00 0.00 175.30 175.72 1yj9 s VAL 98 N 1.38 4.17 -0.37 7.11 1.01 -0.60 0.09 120.40 133.19 1yj9 s VAL 98 Ca -0.03 1.41 0.09 0.00 0.00 0.00 0.00 61.98 63.44 1yj9 s VAL 98 Cb -0.13 -3.92 0.44 0.00 0.00 0.00 0.00 36.38 32.77 1yj9 s VAL 98 CO -0.03 -0.14 1.11 0.35 0.00 0.00 0.00 175.10 176.39 1yj9 n THR 99 N 5.42 2.14 0.00 3.92 -2.24 0.31 -2.19 114.28 121.63 1yj9 n THR 99 Ca 0.14 -4.34 0.00 0.00 -2.27 0.00 0.00 64.05 57.58 1yj9 n THR 99 Cb 0.45 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1yj9 n THR 99 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1yj9 n ASP 100 N -0.49 0.00 -4.63 3.42 -0.08 -1.24 -4.73 116.55 108.81 1yj9 n ASP 100 Ca 0.34 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.40 1yj9 n ASP 100 Cb 0.77 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.34 1yj9 n ASP 100 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1yj9 n LEU 101 N 0.00 0.00 -3.60 -2.67 4.77 -1.26 0.03 117.00 114.27 1yj9 n LEU 101 Ca 0.00 -2.20 -0.28 0.00 -0.03 0.00 0.00 56.01 53.51 1yj9 n LEU 101 Cb 0.00 -0.59 -0.11 0.00 -2.33 0.00 0.00 43.42 40.39 1yj9 n LEU 101 CO 0.00 -0.91 -0.21 -0.62 -1.33 0.00 0.00 177.39 174.32 1yj9 s ASP 102 N -4.92 2.83 0.00 -1.43 -1.08 -1.26 -4.65 116.67 106.16 1yj9 s ASP 102 Ca 0.64 -3.32 0.00 0.00 -0.52 0.00 0.00 52.55 49.36 1yj9 s ASP 102 Cb -0.04 -0.91 0.00 0.00 -1.46 0.00 0.00 42.92 40.51 1yj9 s ASP 102 CO 0.42 -0.15 0.59 0.18 0.52 0.00 0.00 175.17 176.74 1yj9 n LEU 103 N 2.58 0.33 0.00 -1.34 4.77 -1.26 -4.30 117.00 117.78 1yj9 n LEU 103 Ca 0.25 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1yj9 n LEU 103 Cb 0.42 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1yj9 n LEU 103 CO 0.16 0.08 0.14 1.21 -1.33 0.00 0.00 177.39 177.66 1yj9 n GLU 104 N -0.23 0.00 -5.21 3.23 2.13 -1.26 -4.39 120.64 114.91 1yj9 n GLU 104 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1yj9 n GLU 104 Cb 0.08 -1.47 -0.17 0.00 0.27 0.00 0.00 31.44 30.16 1yj9 n GLU 104 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1yj9 s ASP 105 N -1.59 3.04 0.10 4.31 2.15 -1.26 -5.03 116.67 118.39 1yj9 s ASP 105 Ca 0.00 -0.54 -0.26 0.00 0.43 0.00 0.00 52.55 52.18 1yj9 s ASP 105 Cb 0.00 -1.22 -0.11 0.00 -0.30 0.00 0.00 42.92 41.28 1yj9 s ASP 105 CO 0.00 0.18 1.67 -0.33 -0.17 0.00 0.00 175.17 176.52 1yj9 h GLU 106 N 6.53 -0.35 -0.12 4.34 5.08 -1.99 -2.28 114.58 125.79 1yj9 h GLU 106 Ca -0.23 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1yj9 h GLU 106 Cb 1.22 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 1yj9 h GLU 106 CO 0.47 -0.23 -0.48 0.87 -1.00 0.00 0.00 179.01 178.64 1yj9 h LYS 107 N -0.36 -0.53 0.24 2.33 1.79 -1.95 -1.26 116.57 116.82 1yj9 h LYS 107 Ca 0.01 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1yj9 h LYS 107 Cb 0.35 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1yj9 h LYS 107 CO -0.06 -0.35 -0.23 -0.09 -1.08 0.00 0.00 179.45 177.64 1yj9 h ARG 108 N -0.55 -0.45 -1.36 3.15 2.43 -1.91 -2.09 114.38 113.60 1yj9 h ARG 108 Ca 0.05 0.03 0.45 0.00 -0.81 0.00 0.00 59.98 59.71 1yj9 h ARG 108 Cb 0.66 0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.19 1yj9 h ARG 108 CO -0.41 -0.30 0.88 1.49 -1.51 0.00 0.00 179.97 180.12 1yj9 h GLU 109 N -0.47 0.06 0.00 0.20 4.81 -1.36 0.29 114.58 118.12 1yj9 h GLU 109 Ca -0.03 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1yj9 h GLU 109 Cb 0.40 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1yj9 h GLU 109 CO -0.02 0.04 0.00 0.00 -0.73 0.00 0.00 179.01 178.30 1yj9 n ALA 110 N -2.54 -0.37 -0.27 2.92 0.00 -0.48 -2.65 120.51 117.13 1yj9 n ALA 110 Ca 0.38 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.90 1yj9 n ALA 110 Cb 1.49 0.00 0.21 0.00 0.00 0.00 0.00 19.45 21.16 1yj9 n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yj9 h ARG 111 N 0.00 0.27 -1.09 0.00 3.08 -0.84 -0.28 114.38 115.51 1yj9 h ARG 111 Ca 0.00 -0.02 0.32 0.00 0.07 0.00 0.00 59.98 60.35 1yj9 h ARG 111 Cb 0.00 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1yj9 h ARG 111 CO 0.00 0.18 0.80 1.25 -1.07 0.00 0.00 179.97 181.13 1yj9 h LEU 112 N 0.27 0.00 0.00 3.04 6.46 -0.48 -2.46 115.31 122.14 1yj9 h LEU 112 Ca 0.46 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.99 1yj9 h LEU 112 Cb 0.82 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.70 1yj9 h LEU 112 CO -0.54 0.00 -1.91 -0.62 -0.62 0.00 0.00 178.44 174.75 1yj9 n GLU 113 N -4.16 1.70 -1.76 1.25 1.02 -0.21 -4.80 120.64 113.68 1yj9 n GLU 113 Ca 0.23 -0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.95 1yj9 n GLU 113 Cb 1.17 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 31.21 1yj9 n GLU 113 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1yj9 s SER 114 N -4.58 5.35 0.58 1.62 1.04 -0.65 -4.75 113.70 112.30 1yj9 s SER 114 Ca -0.07 1.38 0.20 0.00 0.48 0.00 0.00 55.95 57.94 1yj9 s SER 114 Cb 0.04 -2.51 1.06 0.00 0.10 0.00 0.00 66.02 64.71 1yj9 s SER 114 CO 0.56 -2.13 1.57 1.05 0.98 0.00 0.00 173.24 175.26 1yj9 h GLU 115 N 15.37 0.00 -0.01 4.02 4.11 -1.89 -2.79 114.58 133.39 1yj9 h GLU 115 Ca -0.34 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.08 1yj9 h GLU 115 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1yj9 h GLU 115 CO 1.05 0.00 -0.05 -0.44 0.07 0.00 0.00 179.01 179.64 1yj9 h ASP 116 N 0.00 0.07 -3.29 3.06 3.32 -1.89 -3.44 116.42 114.24 1yj9 h ASP 116 Ca 0.00 -0.63 -0.66 0.00 0.02 0.00 0.00 57.03 55.76 1yj9 h ASP 116 Cb 0.94 -0.02 -0.30 0.00 0.22 0.00 0.00 39.33 40.17 1yj9 h ASP 116 CO 0.00 0.69 -0.77 -0.62 -1.72 0.00 0.00 179.24 176.82 1yj9 s ASP 117 N -5.93 3.93 0.52 6.45 -1.08 -1.05 -5.11 116.67 114.40 1yj9 s ASP 117 Ca -0.16 -0.47 -0.20 0.00 -0.52 0.00 0.00 52.55 51.20 1yj9 s ASP 117 Cb 0.01 -1.65 -0.07 0.00 -1.46 0.00 0.00 42.92 39.75 1yj9 s ASP 117 CO 0.69 -0.00 1.09 -0.94 0.52 0.00 0.00 175.17 176.53 1yj9 s SER 118 N 1.36 5.98 0.00 -0.34 1.04 -1.26 -4.50 113.70 115.97 1yj9 s SER 118 Ca 0.05 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.54 1yj9 s SER 118 Cb -0.14 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1yj9 s SER 118 CO -0.06 -1.04 0.05 0.00 0.98 0.00 0.00 173.24 173.18